REMARK 888 REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) TITLE mono-deoxiHb MODEL 1 ATOM 1 N VAL B 1 -9.427 -19.486 3.170 1.00 58.52 N1+ ATOM 2 CA VAL B 1 -10.717 -19.556 3.862 1.00 25.93 C ATOM 3 C VAL B 1 -10.745 -20.522 5.057 1.00 38.27 C ATOM 4 O VAL B 1 -9.902 -21.408 5.264 1.00 66.47 O ATOM 5 CB VAL B 1 -11.663 -20.074 2.846 1.00 79.18 C ATOM 6 CG1 VAL B 1 -10.755 -20.099 1.625 1.00 62.58 C ATOM 7 CG2 VAL B 1 -12.231 -21.452 3.251 1.00 24.78 C ATOM 8 H1 VAL B 1 -9.491 -18.833 2.402 1.00 0.00 H ATOM 9 H2 VAL B 1 -8.715 -19.176 3.815 1.00 0.00 H ATOM 10 H3 VAL B 1 -9.185 -20.400 2.815 1.00 0.00 H ATOM 11 HA VAL B 1 -10.958 -18.580 4.283 1.00 0.00 H ATOM 12 HB VAL B 1 -12.522 -19.406 2.774 1.00 0.00 H ATOM 13 HG11 VAL B 1 -11.313 -20.467 0.764 1.00 0.00 H ATOM 14 HG12 VAL B 1 -10.394 -19.091 1.420 1.00 0.00 H ATOM 15 HG13 VAL B 1 -9.907 -20.757 1.816 1.00 0.00 H ATOM 16 HG21 VAL B 1 -12.921 -21.801 2.483 1.00 0.00 H ATOM 17 HG22 VAL B 1 -11.414 -22.166 3.356 1.00 0.00 H ATOM 18 HG23 VAL B 1 -12.760 -21.363 4.200 1.00 0.00 H ATOM 19 N HIS B 2 -11.737 -20.219 5.857 1.00 68.56 N ATOM 20 CA HIS B 2 -12.259 -20.978 6.954 1.00 63.28 C ATOM 21 C HIS B 2 -13.739 -21.064 6.678 1.00 75.35 C ATOM 22 O HIS B 2 -14.269 -22.115 6.292 1.00 71.83 O ATOM 23 CB HIS B 2 -12.144 -20.080 8.143 1.00 57.31 C ATOM 24 CG HIS B 2 -12.353 -20.842 9.463 1.00100.00 C ATOM 25 ND1 HIS B 2 -12.119 -20.228 10.717 1.00 96.98 N ATOM 26 CD2 HIS B 2 -12.759 -22.155 9.667 1.00 80.07 C ATOM 27 CE1 HIS B 2 -12.389 -21.177 11.716 1.00 97.15 C ATOM 28 NE2 HIS B 2 -12.783 -22.366 11.054 1.00 95.62 N ATOM 29 H HIS B 2 -12.238 -19.350 5.734 1.00 0.00 H ATOM 30 HA HIS B 2 -11.927 -22.013 6.871 1.00 0.00 H ATOM 31 HB2 HIS B 2 -11.152 -19.629 8.164 1.00 0.00 H ATOM 32 HB3 HIS B 2 -12.898 -19.295 8.080 1.00 0.00 H ATOM 33 HD1 HIS B 2 -11.813 -19.267 10.759 1.00 0.00 H ATOM 34 HD2 HIS B 2 -12.984 -22.788 8.822 1.00 0.00 H ATOM 35 HE1 HIS B 2 -12.275 -20.913 12.757 1.00 0.00 H ATOM 36 N LEU B 3 -14.248 -19.866 6.881 1.00 62.35 N ATOM 37 CA LEU B 3 -15.623 -19.438 6.806 1.00 25.30 C ATOM 38 C LEU B 3 -16.402 -20.240 7.830 1.00 50.41 C ATOM 39 O LEU B 3 -16.508 -21.472 7.751 1.00 39.51 O ATOM 40 CB LEU B 3 -16.213 -19.619 5.427 1.00 46.72 C ATOM 41 CG LEU B 3 -15.836 -18.529 4.448 1.00 26.56 C ATOM 42 CD1 LEU B 3 -17.067 -18.247 3.596 1.00 57.91 C ATOM 43 CD2 LEU B 3 -15.397 -17.270 5.206 1.00 30.19 C ATOM 44 H LEU B 3 -13.643 -19.095 7.127 1.00 0.00 H ATOM 45 HA LEU B 3 -15.681 -18.366 6.993 1.00 0.00 H ATOM 46 HB2 LEU B 3 -15.868 -20.563 5.005 1.00 0.00 H ATOM 47 HB3 LEU B 3 -17.301 -19.627 5.495 1.00 0.00 H ATOM 48 HG LEU B 3 -15.002 -18.865 3.833 1.00 0.00 H ATOM 49 HD11 LEU B 3 -16.838 -17.464 2.874 1.00 0.00 H ATOM 50 HD12 LEU B 3 -17.359 -19.154 3.067 1.00 0.00 H ATOM 51 HD13 LEU B 3 -17.886 -17.921 4.237 1.00 0.00 H ATOM 52 HD21 LEU B 3 -15.128 -16.491 4.493 1.00 0.00 H ATOM 53 HD22 LEU B 3 -16.216 -16.919 5.834 1.00 0.00 H ATOM 54 HD23 LEU B 3 -14.535 -17.504 5.831 1.00 0.00 H ATOM 55 N THR B 4 -16.926 -19.550 8.800 1.00 53.22 N ATOM 56 CA THR B 4 -17.517 -20.411 9.778 1.00 34.17 C ATOM 57 C THR B 4 -18.890 -20.663 9.158 1.00 35.59 C ATOM 58 O THR B 4 -19.253 -19.973 8.210 1.00 44.62 O ATOM 59 CB THR B 4 -17.482 -19.777 11.177 1.00 33.94 C ATOM 60 OG1 THR B 4 -18.619 -18.968 11.400 1.00 59.04 O ATOM 61 CG2 THR B 4 -16.248 -18.930 11.446 1.00 82.25 C ATOM 62 H THR B 4 -16.877 -18.541 8.786 1.00 0.00 H ATOM 63 HA THR B 4 -16.866 -21.268 9.949 1.00 0.00 H ATOM 64 HB THR B 4 -17.421 -20.562 11.931 1.00 0.00 H ATOM 65 HG1 THR B 4 -18.572 -18.585 12.279 1.00 0.00 H ATOM 66 HG21 THR B 4 -16.301 -18.519 12.454 1.00 0.00 H ATOM 67 HG22 THR B 4 -15.355 -19.548 11.353 1.00 0.00 H ATOM 68 HG23 THR B 4 -16.202 -18.115 10.724 1.00 0.00 H ATOM 69 N PRO B 5 -19.606 -21.632 9.631 1.00 34.69 N ATOM 70 CA PRO B 5 -20.950 -21.975 9.171 1.00 41.78 C ATOM 71 C PRO B 5 -21.829 -20.746 8.932 1.00 14.78 C ATOM 72 O PRO B 5 -22.512 -20.688 7.907 1.00 26.99 O ATOM 73 CB PRO B 5 -21.535 -22.840 10.323 1.00 62.28 C ATOM 74 CG PRO B 5 -20.596 -22.675 11.500 1.00 40.44 C ATOM 75 CD PRO B 5 -19.251 -22.495 10.784 1.00 50.78 C ATOM 76 HA PRO B 5 -20.884 -22.517 8.228 1.00 0.00 H ATOM 77 HB2 PRO B 5 -22.536 -22.488 10.570 1.00 0.00 H ATOM 78 HB3 PRO B 5 -21.585 -23.882 10.006 1.00 0.00 H ATOM 79 HG2 PRO B 5 -20.895 -21.806 12.085 1.00 0.00 H ATOM 80 HG3 PRO B 5 -20.638 -23.566 12.127 1.00 0.00 H ATOM 81 HD3 PRO B 5 -18.839 -23.436 10.421 1.00 0.00 H ATOM 82 HD2 PRO B 5 -18.510 -21.989 11.403 1.00 0.00 H ATOM 83 N GLU B 6 -21.833 -19.854 9.937 1.00 36.43 N ATOM 84 CA GLU B 6 -22.678 -18.660 10.005 1.00 26.41 C ATOM 85 C GLU B 6 -22.221 -17.635 8.990 1.00 24.84 C ATOM 86 O GLU B 6 -23.107 -17.025 8.378 1.00 38.01 O ATOM 87 CB GLU B 6 -22.667 -18.042 11.390 1.00 35.58 C ATOM 88 CG GLU B 6 -21.375 -18.313 12.113 1.00 44.70 C ATOM 89 CD GLU B 6 -21.364 -17.452 13.363 1.00 64.90 C ATOM 90 OE1 GLU B 6 -20.469 -16.617 13.502 1.00 75.53 O ATOM 91 OE2 GLU B 6 -22.293 -17.600 14.154 1.00 85.37 O1- ATOM 92 H GLU B 6 -21.218 -19.982 10.728 1.00 0.00 H ATOM 93 HA GLU B 6 -23.717 -18.939 9.830 1.00 0.00 H ATOM 94 HB2 GLU B 6 -22.793 -16.962 11.308 1.00 0.00 H ATOM 95 HB3 GLU B 6 -23.483 -18.458 11.981 1.00 0.00 H ATOM 96 HG2 GLU B 6 -21.320 -19.369 12.377 1.00 0.00 H ATOM 97 HG3 GLU B 6 -20.536 -18.057 11.466 1.00 0.00 H ATOM 98 N GLU B 7 -20.877 -17.470 8.873 1.00 27.64 N ATOM 99 CA GLU B 7 -20.238 -16.650 7.791 1.00 47.88 C ATOM 100 C GLU B 7 -20.559 -17.254 6.428 1.00 32.50 C ATOM 101 O GLU B 7 -20.916 -16.528 5.489 1.00 37.73 O ATOM 102 CB GLU B 7 -18.714 -16.522 7.946 1.00 37.85 C ATOM 103 CG GLU B 7 -18.401 -15.669 9.170 1.00 62.36 C ATOM 104 CD GLU B 7 -16.903 -15.473 9.318 1.00 46.68 C ATOM 105 OE1 GLU B 7 -16.472 -14.314 9.444 1.00 43.26 O ATOM 106 OE2 GLU B 7 -16.192 -16.490 9.354 1.00 48.15 O1- ATOM 107 H GLU B 7 -20.255 -17.911 9.535 1.00 0.00 H ATOM 108 HA GLU B 7 -20.587 -15.620 7.861 1.00 0.00 H ATOM 109 HB2 GLU B 7 -18.276 -17.513 8.071 1.00 0.00 H ATOM 110 HB3 GLU B 7 -18.296 -16.050 7.057 1.00 0.00 H ATOM 111 HG2 GLU B 7 -18.875 -14.693 9.064 1.00 0.00 H ATOM 112 HG3 GLU B 7 -18.782 -16.162 10.064 1.00 0.00 H ATOM 113 N LYS B 8 -20.405 -18.593 6.371 1.00 28.22 N ATOM 114 CA LYS B 8 -20.753 -19.402 5.160 1.00 25.92 C ATOM 115 C LYS B 8 -22.205 -19.068 4.786 1.00 27.22 C ATOM 116 O LYS B 8 -22.513 -18.772 3.626 1.00 36.14 O ATOM 117 CB LYS B 8 -20.628 -20.893 5.467 1.00 32.45 C ATOM 118 CG LYS B 8 -19.556 -21.587 4.651 1.00 38.41 C ATOM 119 CD LYS B 8 -19.951 -21.439 3.189 1.00 65.34 C ATOM 120 CE LYS B 8 -18.780 -21.729 2.246 1.00 81.55 C ATOM 121 NZ LYS B 8 -19.048 -21.198 0.898 1.00 64.67 N1+ ATOM 122 H LYS B 8 -20.040 -19.094 7.169 1.00 0.00 H ATOM 123 HA LYS B 8 -20.084 -19.137 4.341 1.00 0.00 H ATOM 124 HB2 LYS B 8 -20.377 -21.028 6.519 1.00 0.00 H ATOM 125 HB3 LYS B 8 -21.575 -21.389 5.253 1.00 0.00 H ATOM 126 HG2 LYS B 8 -18.592 -21.115 4.841 1.00 0.00 H ATOM 127 HG3 LYS B 8 -19.507 -22.639 4.934 1.00 0.00 H ATOM 128 HD2 LYS B 8 -20.755 -22.137 2.957 1.00 0.00 H ATOM 129 HD3 LYS B 8 -20.291 -20.420 3.005 1.00 0.00 H ATOM 130 HE2 LYS B 8 -17.876 -21.260 2.634 1.00 0.00 H ATOM 131 HE3 LYS B 8 -18.628 -22.806 2.175 1.00 0.00 H ATOM 132 HZ1 LYS B 8 -18.264 -21.400 0.294 1.00 0.00 H ATOM 133 HZ2 LYS B 8 -19.881 -21.631 0.525 1.00 0.00 H ATOM 134 HZ3 LYS B 8 -19.183 -20.198 0.950 1.00 0.00 H ATOM 135 N SER B 9 -23.050 -19.036 5.839 1.00 33.41 N ATOM 136 CA SER B 9 -24.498 -18.980 5.666 1.00 28.51 C ATOM 137 C SER B 9 -24.788 -17.663 4.969 1.00 60.26 C ATOM 138 O SER B 9 -25.680 -17.571 4.113 1.00 58.43 O ATOM 139 CB SER B 9 -25.204 -19.082 7.038 1.00 45.50 C ATOM 140 OG SER B 9 -25.937 -17.867 7.408 1.00 48.98 O ATOM 141 H SER B 9 -22.684 -19.051 6.780 1.00 0.00 H ATOM 142 HA SER B 9 -24.829 -19.841 5.085 1.00 0.00 H ATOM 143 HB2 SER B 9 -25.921 -19.903 7.018 1.00 0.00 H ATOM 144 HB3 SER B 9 -24.463 -19.266 7.816 1.00 0.00 H ATOM 145 HG SER B 9 -26.352 -17.991 8.265 1.00 0.00 H ATOM 146 N ALA B 10 -23.936 -16.720 5.349 1.00 58.68 N ATOM 147 CA ALA B 10 -24.119 -15.306 5.016 1.00 78.87 C ATOM 148 C ALA B 10 -23.552 -14.914 3.634 1.00 21.10 C ATOM 149 O ALA B 10 -24.105 -14.089 2.911 1.00 42.20 O ATOM 150 CB ALA B 10 -23.521 -14.543 6.207 1.00 31.18 C ATOM 151 H ALA B 10 -23.120 -16.965 5.891 1.00 0.00 H ATOM 152 HA ALA B 10 -25.171 -15.040 5.123 1.00 0.00 H ATOM 153 HB1 ALA B 10 -23.618 -13.471 6.038 1.00 0.00 H ATOM 154 HB2 ALA B 10 -24.053 -14.816 7.118 1.00 0.00 H ATOM 155 HB3 ALA B 10 -22.467 -14.800 6.312 1.00 0.00 H ATOM 156 N VAL B 11 -22.472 -15.501 3.254 1.00 25.17 N ATOM 157 CA VAL B 11 -21.884 -15.291 1.931 1.00 55.13 C ATOM 158 C VAL B 11 -22.702 -15.847 0.756 1.00 23.34 C ATOM 159 O VAL B 11 -22.888 -15.217 -0.287 1.00 39.42 O ATOM 160 CB VAL B 11 -20.577 -16.051 1.967 1.00 21.68 C ATOM 161 CG1 VAL B 11 -20.223 -16.525 0.584 1.00 43.05 C ATOM 162 CG2 VAL B 11 -19.451 -15.230 2.580 1.00 37.68 C ATOM 163 H VAL B 11 -21.996 -16.136 3.879 1.00 0.00 H ATOM 164 HA VAL B 11 -21.809 -14.222 1.732 1.00 0.00 H ATOM 165 HB VAL B 11 -20.649 -16.864 2.690 1.00 0.00 H ATOM 166 HG11 VAL B 11 -19.281 -17.072 0.617 1.00 0.00 H ATOM 167 HG12 VAL B 11 -21.010 -17.181 0.212 1.00 0.00 H ATOM 168 HG13 VAL B 11 -20.122 -15.667 -0.080 1.00 0.00 H ATOM 169 HG21 VAL B 11 -18.533 -15.818 2.584 1.00 0.00 H ATOM 170 HG22 VAL B 11 -19.300 -14.324 1.993 1.00 0.00 H ATOM 171 HG23 VAL B 11 -19.713 -14.959 3.603 1.00 0.00 H ATOM 172 N THR B 12 -23.219 -17.021 0.973 1.00 60.42 N ATOM 173 CA THR B 12 -23.976 -17.926 0.078 1.00 40.44 C ATOM 174 C THR B 12 -25.417 -17.389 -0.161 1.00 38.57 C ATOM 175 O THR B 12 -25.971 -17.215 -1.277 1.00 34.11 O ATOM 176 CB THR B 12 -23.769 -19.151 1.005 1.00 38.05 C ATOM 177 OG1 THR B 12 -22.559 -19.839 0.638 1.00 48.33 O ATOM 178 CG2 THR B 12 -24.887 -20.131 1.319 1.00 53.46 C ATOM 179 H THR B 12 -23.129 -17.452 1.882 1.00 0.00 H ATOM 180 HA THR B 12 -23.438 -18.040 -0.863 1.00 0.00 H ATOM 181 HB THR B 12 -23.925 -18.853 2.042 1.00 0.00 H ATOM 182 HG1 THR B 12 -22.434 -20.597 1.214 1.00 0.00 H ATOM 183 HG21 THR B 12 -24.514 -20.907 1.987 1.00 0.00 H ATOM 184 HG22 THR B 12 -25.710 -19.602 1.801 1.00 0.00 H ATOM 185 HG23 THR B 12 -25.241 -20.587 0.395 1.00 0.00 H ATOM 186 N ALA B 13 -26.021 -17.040 0.935 1.00 36.29 N ATOM 187 CA ALA B 13 -27.332 -16.417 0.946 1.00 43.84 C ATOM 188 C ALA B 13 -27.419 -15.029 0.272 1.00 54.67 C ATOM 189 O ALA B 13 -28.516 -14.672 -0.176 1.00 56.83 O ATOM 190 CB ALA B 13 -27.682 -16.360 2.415 1.00 29.61 C ATOM 191 H ALA B 13 -25.578 -17.200 1.829 1.00 0.00 H ATOM 192 HA ALA B 13 -28.054 -17.080 0.470 1.00 0.00 H ATOM 193 HB1 ALA B 13 -28.664 -15.902 2.538 1.00 0.00 H ATOM 194 HB2 ALA B 13 -27.699 -17.370 2.824 1.00 0.00 H ATOM 195 HB3 ALA B 13 -26.936 -15.767 2.944 1.00 0.00 H ATOM 196 N LEU B 14 -26.316 -14.250 0.180 1.00 45.82 N ATOM 197 CA LEU B 14 -26.349 -12.951 -0.547 1.00 34.20 C ATOM 198 C LEU B 14 -26.150 -13.151 -2.034 1.00 22.70 C ATOM 199 O LEU B 14 -26.755 -12.397 -2.798 1.00 39.79 O ATOM 200 CB LEU B 14 -25.207 -11.986 -0.187 1.00 43.37 C ATOM 201 CG LEU B 14 -25.547 -10.812 0.747 1.00 76.20 C ATOM 202 CD1 LEU B 14 -24.405 -9.791 0.700 1.00 46.54 C ATOM 203 CD2 LEU B 14 -26.866 -10.079 0.441 1.00 59.93 C ATOM 204 H LEU B 14 -25.451 -14.547 0.609 1.00 0.00 H ATOM 205 HA LEU B 14 -27.340 -12.506 -0.452 1.00 0.00 H ATOM 206 HB2 LEU B 14 -24.411 -12.536 0.315 1.00 0.00 H ATOM 207 HB3 LEU B 14 -24.816 -11.530 -1.096 1.00 0.00 H ATOM 208 HG LEU B 14 -25.709 -11.186 1.758 1.00 0.00 H ATOM 209 HD11 LEU B 14 -24.637 -8.955 1.359 1.00 0.00 H ATOM 210 HD12 LEU B 14 -23.480 -10.265 1.027 1.00 0.00 H ATOM 211 HD13 LEU B 14 -24.285 -9.426 -0.320 1.00 0.00 H ATOM 212 HD21 LEU B 14 -27.008 -9.271 1.158 1.00 0.00 H ATOM 213 HD22 LEU B 14 -26.828 -9.667 -0.567 1.00 0.00 H ATOM 214 HD23 LEU B 14 -27.697 -10.780 0.515 1.00 0.00 H ATOM 215 N TRP B 15 -25.251 -14.103 -2.335 1.00 33.75 N ATOM 216 CA TRP B 15 -24.689 -14.385 -3.685 1.00 38.50 C ATOM 217 C TRP B 15 -25.726 -14.919 -4.671 1.00 32.01 C ATOM 218 O TRP B 15 -25.618 -14.684 -5.897 1.00 36.25 O ATOM 219 CB TRP B 15 -23.594 -15.434 -3.597 1.00 42.13 C ATOM 220 CG TRP B 15 -22.612 -15.315 -4.783 1.00 36.68 C ATOM 221 CD1 TRP B 15 -22.402 -16.232 -5.778 1.00 53.82 C ATOM 222 CD2 TRP B 15 -21.754 -14.231 -5.069 1.00 60.42 C ATOM 223 NE1 TRP B 15 -21.428 -15.762 -6.671 1.00 66.36 N ATOM 224 CE2 TRP B 15 -21.025 -14.539 -6.238 1.00 51.01 C ATOM 225 CE3 TRP B 15 -21.548 -13.030 -4.408 1.00 48.84 C ATOM 226 CZ2 TRP B 15 -20.066 -13.709 -6.795 1.00 27.49 C ATOM 227 CZ3 TRP B 15 -20.593 -12.181 -4.977 1.00 47.06 C ATOM 228 CH2 TRP B 15 -19.867 -12.517 -6.132 1.00 33.71 C ATOM 229 H TRP B 15 -24.894 -14.708 -1.609 1.00 0.00 H ATOM 230 HA TRP B 15 -24.285 -13.466 -4.110 1.00 0.00 H ATOM 231 HB2 TRP B 15 -23.037 -15.302 -2.669 1.00 0.00 H ATOM 232 HB3 TRP B 15 -24.040 -16.428 -3.613 1.00 0.00 H ATOM 233 HD1 TRP B 15 -22.958 -17.158 -5.786 1.00 0.00 H ATOM 234 HE1 TRP B 15 -21.155 -16.326 -7.463 1.00 0.00 H ATOM 235 HE3 TRP B 15 -22.109 -12.802 -3.514 1.00 0.00 H ATOM 236 HZ2 TRP B 15 -19.538 -14.016 -7.685 1.00 0.00 H ATOM 237 HZ3 TRP B 15 -20.388 -11.221 -4.527 1.00 0.00 H ATOM 238 HH2 TRP B 15 -19.136 -11.811 -6.498 1.00 0.00 H ATOM 239 N GLY B 16 -26.656 -15.639 -4.027 1.00 55.91 N ATOM 240 CA GLY B 16 -27.910 -16.115 -4.637 1.00 56.06 C ATOM 241 C GLY B 16 -28.746 -14.949 -5.179 1.00 43.10 C ATOM 242 O GLY B 16 -29.251 -15.003 -6.311 1.00 69.17 O ATOM 243 H GLY B 16 -26.519 -15.889 -3.058 1.00 0.00 H ATOM 244 HA2 GLY B 16 -27.680 -16.789 -5.462 1.00 0.00 H ATOM 245 HA3 GLY B 16 -28.500 -16.645 -3.889 1.00 0.00 H ATOM 246 N LYS B 17 -28.878 -13.931 -4.362 1.00 32.03 N ATOM 247 CA LYS B 17 -29.553 -12.720 -4.800 1.00 17.29 C ATOM 248 C LYS B 17 -28.861 -11.944 -5.941 1.00 19.57 C ATOM 249 O LYS B 17 -29.535 -11.354 -6.785 1.00 47.43 O ATOM 250 CB LYS B 17 -29.800 -11.837 -3.596 1.00 75.54 C ATOM 251 CG LYS B 17 -30.626 -12.468 -2.451 1.00 34.66 C ATOM 252 CD LYS B 17 -31.294 -11.270 -1.750 1.00 53.61 C ATOM 253 CE LYS B 17 -32.176 -11.592 -0.562 1.00 62.10 C ATOM 254 NZ LYS B 17 -32.073 -10.453 0.360 1.00 38.32 N1+ ATOM 255 H LYS B 17 -28.510 -13.986 -3.423 1.00 0.00 H ATOM 256 HA LYS B 17 -30.588 -12.951 -5.053 1.00 0.00 H ATOM 257 HB2 LYS B 17 -28.846 -11.546 -3.156 1.00 0.00 H ATOM 258 HB3 LYS B 17 -30.344 -10.944 -3.905 1.00 0.00 H ATOM 259 HG2 LYS B 17 -31.361 -13.155 -2.869 1.00 0.00 H ATOM 260 HG3 LYS B 17 -29.961 -13.012 -1.780 1.00 0.00 H ATOM 261 HD2 LYS B 17 -30.526 -10.592 -1.377 1.00 0.00 H ATOM 262 HD3 LYS B 17 -31.930 -10.742 -2.460 1.00 0.00 H ATOM 263 HE2 LYS B 17 -33.204 -11.727 -0.898 1.00 0.00 H ATOM 264 HE3 LYS B 17 -31.826 -12.508 -0.087 1.00 0.00 H ATOM 265 HZ1 LYS B 17 -32.648 -10.624 1.172 1.00 0.00 H ATOM 266 HZ2 LYS B 17 -31.112 -10.337 0.647 1.00 0.00 H ATOM 267 HZ3 LYS B 17 -32.388 -9.614 -0.105 1.00 0.00 H ATOM 268 N VAL B 18 -27.560 -11.990 -6.015 1.00 14.11 N ATOM 269 CA VAL B 18 -26.758 -11.136 -6.890 1.00 37.89 C ATOM 270 C VAL B 18 -27.018 -11.339 -8.364 1.00 40.96 C ATOM 271 O VAL B 18 -26.810 -12.467 -8.848 1.00 40.29 O ATOM 272 CB VAL B 18 -25.280 -11.451 -6.584 1.00 32.89 C ATOM 273 CG1 VAL B 18 -24.300 -11.100 -7.686 1.00 39.28 C ATOM 274 CG2 VAL B 18 -24.842 -10.785 -5.277 1.00 42.76 C ATOM 275 H VAL B 18 -27.045 -12.646 -5.445 1.00 0.00 H ATOM 276 HA VAL B 18 -26.956 -10.090 -6.658 1.00 0.00 H ATOM 277 HB VAL B 18 -25.181 -12.501 -6.309 1.00 0.00 H ATOM 278 HG11 VAL B 18 -23.290 -11.361 -7.371 1.00 0.00 H ATOM 279 HG12 VAL B 18 -24.553 -11.656 -8.589 1.00 0.00 H ATOM 280 HG13 VAL B 18 -24.351 -10.031 -7.892 1.00 0.00 H ATOM 281 HG21 VAL B 18 -23.796 -11.021 -5.081 1.00 0.00 H ATOM 282 HG22 VAL B 18 -24.961 -9.705 -5.361 1.00 0.00 H ATOM 283 HG23 VAL B 18 -25.457 -11.154 -4.456 1.00 0.00 H ATOM 284 N ASN B 19 -27.399 -10.184 -8.979 1.00 37.14 N ATOM 285 CA ASN B 19 -27.563 -10.049 -10.453 1.00 47.94 C ATOM 286 C ASN B 19 -26.181 -10.193 -11.078 1.00 30.54 C ATOM 287 O ASN B 19 -25.431 -9.223 -11.117 1.00 56.04 O ATOM 288 CB ASN B 19 -28.175 -8.683 -10.844 1.00 62.48 C ATOM 289 CG ASN B 19 -28.573 -8.598 -12.332 1.00 56.21 C ATOM 290 OD1 ASN B 19 -27.987 -9.247 -13.215 1.00 37.49 O ATOM 291 ND2 ASN B 19 -29.604 -7.784 -12.594 1.00 47.11 N ATOM 292 H ASN B 19 -27.587 -9.358 -8.430 1.00 0.00 H ATOM 293 HA ASN B 19 -28.238 -10.824 -10.816 1.00 0.00 H ATOM 294 HB2 ASN B 19 -29.073 -8.504 -10.253 1.00 0.00 H ATOM 295 HB3 ASN B 19 -27.451 -7.891 -10.652 1.00 0.00 H ATOM 296 HD22 ASN B 19 -29.929 -7.671 -13.543 1.00 0.00 H ATOM 297 HD21 ASN B 19 -30.056 -7.284 -11.842 1.00 0.00 H ATOM 298 N VAL B 20 -25.863 -11.384 -11.534 1.00 56.18 N ATOM 299 CA VAL B 20 -24.524 -11.642 -12.089 1.00 88.97 C ATOM 300 C VAL B 20 -24.357 -11.068 -13.499 1.00 70.98 C ATOM 301 O VAL B 20 -23.217 -10.911 -13.955 1.00 95.58 O ATOM 302 CB VAL B 20 -24.196 -13.144 -12.005 1.00 81.85 C ATOM 303 CG1 VAL B 20 -25.442 -14.035 -12.111 1.00 52.93 C ATOM 304 CG2 VAL B 20 -23.052 -13.631 -12.913 1.00 73.21 C ATOM 305 H VAL B 20 -26.540 -12.133 -11.506 1.00 0.00 H ATOM 306 HA VAL B 20 -23.766 -11.296 -11.386 1.00 0.00 H ATOM 307 HB VAL B 20 -23.542 -13.327 -11.152 1.00 0.00 H ATOM 308 HG11 VAL B 20 -25.147 -15.082 -12.045 1.00 0.00 H ATOM 309 HG12 VAL B 20 -26.128 -13.800 -11.297 1.00 0.00 H ATOM 310 HG13 VAL B 20 -25.937 -13.857 -13.066 1.00 0.00 H ATOM 311 HG21 VAL B 20 -22.907 -14.702 -12.773 1.00 0.00 H ATOM 312 HG22 VAL B 20 -23.304 -13.432 -13.955 1.00 0.00 H ATOM 313 HG23 VAL B 20 -22.133 -13.104 -12.655 1.00 0.00 H ATOM 314 N ASP B 21 -25.409 -10.715 -14.187 1.00 59.45 N ATOM 315 CA ASP B 21 -25.097 -10.046 -15.471 1.00 71.81 C ATOM 316 C ASP B 21 -24.684 -8.588 -15.181 1.00 43.54 C ATOM 317 O ASP B 21 -23.830 -7.989 -15.846 1.00 53.11 O ATOM 318 CB ASP B 21 -26.290 -10.049 -16.441 1.00 76.02 C ATOM 319 CG ASP B 21 -26.339 -11.127 -17.540 1.00 81.02 C ATOM 320 OD1 ASP B 21 -25.399 -11.325 -18.332 1.00 36.34 O ATOM 321 OD2 ASP B 21 -27.418 -11.706 -17.667 1.00 85.46 O1- ATOM 322 H ASP B 21 -26.334 -10.905 -13.829 1.00 0.00 H ATOM 323 HA ASP B 21 -24.291 -10.581 -15.974 1.00 0.00 H ATOM 324 HB2 ASP B 21 -27.215 -10.181 -15.880 1.00 0.00 H ATOM 325 HB3 ASP B 21 -26.324 -9.101 -16.979 1.00 0.00 H ATOM 326 N GLU B 22 -25.259 -8.015 -14.161 1.00 40.62 N ATOM 327 CA GLU B 22 -25.043 -6.582 -14.060 1.00 67.31 C ATOM 328 C GLU B 22 -24.186 -6.247 -12.820 1.00100.00 C ATOM 329 O GLU B 22 -23.881 -5.071 -12.611 1.00 82.30 O ATOM 330 CB GLU B 22 -26.405 -5.793 -14.155 1.00 46.21 C ATOM 331 CG GLU B 22 -27.373 -6.290 -15.262 1.00 75.44 C ATOM 332 CD GLU B 22 -27.816 -5.376 -16.443 1.00100.00 C ATOM 333 OE1 GLU B 22 -28.349 -5.981 -17.391 1.00 83.12 O ATOM 334 OE2 GLU B 22 -27.691 -4.126 -16.434 1.00 56.90 O1- ATOM 335 H GLU B 22 -25.805 -8.566 -13.514 1.00 0.00 H ATOM 336 HA GLU B 22 -24.669 -6.202 -15.011 1.00 0.00 H ATOM 337 HB2 GLU B 22 -26.941 -5.878 -13.210 1.00 0.00 H ATOM 338 HB3 GLU B 22 -26.203 -4.743 -14.365 1.00 0.00 H ATOM 339 HG2 GLU B 22 -26.934 -7.148 -15.771 1.00 0.00 H ATOM 340 HG3 GLU B 22 -28.322 -6.582 -14.812 1.00 0.00 H ATOM 341 N VAL B 23 -23.736 -7.201 -11.983 1.00 54.99 N ATOM 342 CA VAL B 23 -23.010 -6.725 -10.763 1.00 46.62 C ATOM 343 C VAL B 23 -21.515 -6.664 -11.062 1.00 55.97 C ATOM 344 O VAL B 23 -20.829 -5.758 -10.565 1.00 53.65 O ATOM 345 CB VAL B 23 -23.302 -7.524 -9.448 1.00 33.57 C ATOM 346 CG1 VAL B 23 -22.321 -7.300 -8.304 1.00 27.57 C ATOM 347 CG2 VAL B 23 -24.654 -7.180 -8.894 1.00 46.18 C ATOM 348 H VAL B 23 -23.896 -8.175 -12.195 1.00 0.00 H ATOM 349 HA VAL B 23 -23.450 -5.788 -10.420 1.00 0.00 H ATOM 350 HB VAL B 23 -23.292 -8.593 -9.662 1.00 0.00 H ATOM 351 HG11 VAL B 23 -22.619 -7.902 -7.446 1.00 0.00 H ATOM 352 HG12 VAL B 23 -21.320 -7.592 -8.621 1.00 0.00 H ATOM 353 HG13 VAL B 23 -22.321 -6.246 -8.026 1.00 0.00 H ATOM 354 HG21 VAL B 23 -24.829 -7.750 -7.981 1.00 0.00 H ATOM 355 HG22 VAL B 23 -24.695 -6.114 -8.670 1.00 0.00 H ATOM 356 HG23 VAL B 23 -25.421 -7.426 -9.628 1.00 0.00 H ATOM 357 N GLY B 24 -21.077 -7.617 -11.866 1.00 21.90 N ATOM 358 CA GLY B 24 -19.640 -7.758 -12.213 1.00 39.47 C ATOM 359 C GLY B 24 -19.097 -6.531 -12.936 1.00 40.40 C ATOM 360 O GLY B 24 -17.920 -6.165 -12.785 1.00 27.56 O ATOM 361 H GLY B 24 -21.727 -8.279 -12.266 1.00 0.00 H ATOM 362 HA2 GLY B 24 -19.058 -7.898 -11.302 1.00 0.00 H ATOM 363 HA3 GLY B 24 -19.506 -8.621 -12.865 1.00 0.00 H ATOM 364 N GLY B 25 -20.008 -5.952 -13.692 1.00 37.19 N ATOM 365 CA GLY B 25 -19.692 -4.843 -14.556 1.00 28.25 C ATOM 366 C GLY B 25 -19.759 -3.531 -13.794 1.00 21.40 C ATOM 367 O GLY B 25 -19.076 -2.562 -14.168 1.00 42.32 O ATOM 368 H GLY B 25 -20.962 -6.284 -13.677 1.00 0.00 H ATOM 369 HA2 GLY B 25 -18.685 -4.967 -14.954 1.00 0.00 H ATOM 370 HA3 GLY B 25 -20.406 -4.808 -15.379 1.00 0.00 H ATOM 371 N GLU B 26 -20.617 -3.502 -12.776 1.00 19.18 N ATOM 372 CA GLU B 26 -20.645 -2.316 -11.920 1.00 28.95 C ATOM 373 C GLU B 26 -19.337 -2.332 -11.093 1.00 13.62 C ATOM 374 O GLU B 26 -18.711 -1.303 -10.783 1.00 23.80 O ATOM 375 CB GLU B 26 -21.932 -2.371 -11.113 1.00 32.13 C ATOM 376 CG GLU B 26 -22.886 -1.197 -11.190 1.00 25.67 C ATOM 377 CD GLU B 26 -22.619 -0.166 -10.091 1.00 56.98 C ATOM 378 OE1 GLU B 26 -22.608 0.996 -10.462 1.00 41.58 O ATOM 379 OE2 GLU B 26 -22.510 -0.461 -8.890 1.00 53.52 O1- ATOM 380 H GLU B 26 -21.229 -4.288 -12.609 1.00 0.00 H ATOM 381 HA GLU B 26 -20.780 -1.426 -12.535 1.00 0.00 H ATOM 382 HB2 GLU B 26 -22.524 -3.230 -11.430 1.00 0.00 H ATOM 383 HB3 GLU B 26 -21.693 -2.465 -10.054 1.00 0.00 H ATOM 384 HG2 GLU B 26 -22.776 -0.701 -12.154 1.00 0.00 H ATOM 385 HG3 GLU B 26 -23.910 -1.553 -11.080 1.00 0.00 H ATOM 386 N ALA B 27 -18.858 -3.484 -10.794 1.00 25.82 N ATOM 387 CA ALA B 27 -17.584 -3.416 -10.091 1.00 8.63 C ATOM 388 C ALA B 27 -16.331 -3.218 -10.945 1.00 20.91 C ATOM 389 O ALA B 27 -15.428 -2.484 -10.517 1.00 46.95 O ATOM 390 CB ALA B 27 -17.470 -4.530 -9.112 1.00 24.14 C ATOM 391 H ALA B 27 -19.362 -4.322 -11.048 1.00 0.00 H ATOM 392 HA ALA B 27 -17.669 -2.727 -9.250 1.00 0.00 H ATOM 393 HB1 ALA B 27 -16.512 -4.464 -8.596 1.00 0.00 H ATOM 394 HB2 ALA B 27 -18.279 -4.460 -8.385 1.00 0.00 H ATOM 395 HB3 ALA B 27 -17.535 -5.483 -9.636 1.00 0.00 H ATOM 396 N LEU B 28 -16.240 -3.807 -12.121 1.00 35.04 N ATOM 397 CA LEU B 28 -15.100 -3.476 -13.050 1.00 10.31 C ATOM 398 C LEU B 28 -15.145 -2.027 -13.470 1.00 5.00 C ATOM 399 O LEU B 28 -14.128 -1.425 -13.737 1.00 28.68 O ATOM 400 CB LEU B 28 -15.208 -4.261 -14.356 1.00 27.23 C ATOM 401 CG LEU B 28 -13.866 -4.736 -14.940 1.00 40.08 C ATOM 402 CD1 LEU B 28 -13.578 -4.092 -16.286 1.00 59.01 C ATOM 403 CD2 LEU B 28 -12.674 -4.605 -13.965 1.00 41.45 C ATOM 404 H LEU B 28 -16.936 -4.483 -12.402 1.00 0.00 H ATOM 405 HA LEU B 28 -14.154 -3.597 -12.522 1.00 0.00 H ATOM 406 HB2 LEU B 28 -15.812 -5.154 -14.195 1.00 0.00 H ATOM 407 HB3 LEU B 28 -15.677 -3.638 -15.117 1.00 0.00 H ATOM 408 HG LEU B 28 -13.833 -5.825 -14.936 1.00 0.00 H ATOM 409 HD11 LEU B 28 -12.622 -4.453 -16.665 1.00 0.00 H ATOM 410 HD12 LEU B 28 -14.369 -4.351 -16.990 1.00 0.00 H ATOM 411 HD13 LEU B 28 -13.537 -3.009 -16.170 1.00 0.00 H ATOM 412 HD21 LEU B 28 -11.765 -4.960 -14.451 1.00 0.00 H ATOM 413 HD22 LEU B 28 -12.549 -3.560 -13.682 1.00 0.00 H ATOM 414 HD23 LEU B 28 -12.866 -5.202 -13.074 1.00 0.00 H ATOM 415 N GLY B 29 -16.329 -1.521 -13.578 1.00 16.83 N ATOM 416 CA GLY B 29 -16.439 -0.167 -14.040 1.00 19.42 C ATOM 417 C GLY B 29 -15.969 0.774 -12.933 1.00 33.51 C ATOM 418 O GLY B 29 -15.266 1.752 -13.191 1.00 45.26 O ATOM 419 H GLY B 29 -17.139 -2.076 -13.340 1.00 0.00 H ATOM 420 HA2 GLY B 29 -15.817 -0.033 -14.925 1.00 0.00 H ATOM 421 HA3 GLY B 29 -17.478 0.049 -14.290 1.00 0.00 H ATOM 422 N ARG B 30 -16.421 0.479 -11.742 1.00 48.92 N ATOM 423 CA ARG B 30 -16.126 1.358 -10.611 1.00 38.63 C ATOM 424 C ARG B 30 -14.633 1.419 -10.382 1.00 18.53 C ATOM 425 O ARG B 30 -14.123 2.449 -9.937 1.00 17.33 O ATOM 426 CB ARG B 30 -16.850 0.854 -9.367 1.00 43.86 C ATOM 427 CG ARG B 30 -18.166 1.595 -9.235 1.00 16.91 C ATOM 428 CD ARG B 30 -19.186 0.914 -8.343 1.00 33.75 C ATOM 429 NE ARG B 30 -20.505 1.561 -8.497 1.00 27.63 N ATOM 430 CZ ARG B 30 -20.902 2.613 -7.807 1.00 24.75 C ATOM 431 NH1 ARG B 30 -20.071 3.326 -7.032 1.00 27.32 N ATOM 432 NH2 ARG B 30 -22.164 2.976 -7.945 1.00 34.64 N1+ ATOM 433 H ARG B 30 -16.973 -0.355 -11.604 1.00 0.00 H ATOM 434 HA ARG B 30 -16.534 2.350 -10.805 1.00 0.00 H ATOM 435 HB2 ARG B 30 -17.036 -0.216 -9.463 1.00 0.00 H ATOM 436 HB3 ARG B 30 -16.233 1.037 -8.487 1.00 0.00 H ATOM 437 HG2 ARG B 30 -17.986 2.583 -8.812 1.00 0.00 H ATOM 438 HG3 ARG B 30 -18.625 1.699 -10.218 1.00 0.00 H ATOM 439 HD2 ARG B 30 -19.268 -0.137 -8.621 1.00 0.00 H ATOM 440 HD3 ARG B 30 -18.869 0.991 -7.303 1.00 0.00 H ATOM 441 HE ARG B 30 -21.119 1.146 -9.184 1.00 0.00 H ATOM 442 HH12 ARG B 30 -20.418 4.125 -6.521 1.00 0.00 H ATOM 443 HH11 ARG B 30 -19.098 3.064 -6.960 1.00 0.00 H ATOM 444 HH22 ARG B 30 -22.518 3.775 -7.439 1.00 0.00 H ATOM 445 HH21 ARG B 30 -22.775 2.455 -8.557 1.00 0.00 H ATOM 446 N LEU B 31 -13.998 0.313 -10.710 1.00 27.75 N ATOM 447 CA LEU B 31 -12.558 0.228 -10.568 1.00 38.70 C ATOM 448 C LEU B 31 -11.903 1.157 -11.549 1.00 18.69 C ATOM 449 O LEU B 31 -10.850 1.712 -11.230 1.00 11.09 O ATOM 450 CB LEU B 31 -12.107 -1.146 -11.014 1.00 38.82 C ATOM 451 CG LEU B 31 -10.661 -1.498 -10.698 1.00 35.58 C ATOM 452 CD1 LEU B 31 -10.475 -1.785 -9.175 1.00 28.77 C ATOM 453 CD2 LEU B 31 -10.265 -2.728 -11.534 1.00 48.35 C ATOM 454 H LEU B 31 -14.514 -0.480 -11.062 1.00 0.00 H ATOM 455 HA LEU B 31 -12.263 0.632 -9.600 1.00 0.00 H ATOM 456 HB2 LEU B 31 -12.720 -1.905 -10.529 1.00 0.00 H ATOM 457 HB3 LEU B 31 -12.213 -1.231 -12.096 1.00 0.00 H ATOM 458 HG LEU B 31 -10.011 -0.679 -11.007 1.00 0.00 H ATOM 459 HD11 LEU B 31 -9.433 -2.034 -8.976 1.00 0.00 H ATOM 460 HD12 LEU B 31 -10.752 -0.901 -8.602 1.00 0.00 H ATOM 461 HD13 LEU B 31 -11.110 -2.621 -8.882 1.00 0.00 H ATOM 462 HD21 LEU B 31 -9.230 -2.995 -11.320 1.00 0.00 H ATOM 463 HD22 LEU B 31 -10.916 -3.565 -11.281 1.00 0.00 H ATOM 464 HD23 LEU B 31 -10.368 -2.496 -12.594 1.00 0.00 H ATOM 465 N LEU B 32 -12.531 1.271 -12.730 1.00 22.57 N ATOM 466 CA LEU B 32 -11.723 1.920 -13.764 1.00 30.69 C ATOM 467 C LEU B 32 -11.905 3.377 -13.499 1.00 12.27 C ATOM 468 O LEU B 32 -11.124 4.205 -13.945 1.00 27.09 O ATOM 469 CB LEU B 32 -12.109 1.597 -15.225 1.00 36.08 C ATOM 470 CG LEU B 32 -12.264 0.097 -15.509 1.00 47.34 C ATOM 471 CD1 LEU B 32 -13.009 -0.169 -16.835 1.00 50.39 C ATOM 472 CD2 LEU B 32 -10.962 -0.723 -15.327 1.00 35.10 C ATOM 473 H LEU B 32 -13.473 0.923 -12.837 1.00 0.00 H ATOM 474 HA LEU B 32 -10.685 1.599 -13.670 1.00 0.00 H ATOM 475 HB2 LEU B 32 -13.062 2.071 -15.463 1.00 0.00 H ATOM 476 HB3 LEU B 32 -11.338 1.975 -15.897 1.00 0.00 H ATOM 477 HG LEU B 32 -12.630 -0.407 -14.614 1.00 0.00 H ATOM 478 HD11 LEU B 32 -13.095 -1.244 -16.995 1.00 0.00 H ATOM 479 HD12 LEU B 32 -14.005 0.272 -16.788 1.00 0.00 H ATOM 480 HD13 LEU B 32 -12.454 0.277 -17.660 1.00 0.00 H ATOM 481 HD21 LEU B 32 -11.159 -1.772 -15.547 1.00 0.00 H ATOM 482 HD22 LEU B 32 -10.197 -0.347 -16.007 1.00 0.00 H ATOM 483 HD23 LEU B 32 -10.613 -0.627 -14.299 1.00 0.00 H ATOM 484 N VAL B 33 -12.975 3.639 -12.796 1.00 17.60 N ATOM 485 CA VAL B 33 -13.307 5.047 -12.614 1.00 56.84 C ATOM 486 C VAL B 33 -12.592 5.469 -11.350 1.00 38.07 C ATOM 487 O VAL B 33 -12.087 6.597 -11.255 1.00 28.98 O ATOM 488 CB VAL B 33 -14.850 5.301 -12.558 1.00 19.46 C ATOM 489 CG1 VAL B 33 -15.275 6.501 -11.735 1.00 22.03 C ATOM 490 CG2 VAL B 33 -15.540 5.345 -13.927 1.00 21.05 C ATOM 491 H VAL B 33 -13.524 2.884 -12.411 1.00 0.00 H ATOM 492 HA VAL B 33 -13.021 5.606 -13.505 1.00 0.00 H ATOM 493 HB VAL B 33 -15.359 4.383 -12.265 1.00 0.00 H ATOM 494 HG11 VAL B 33 -16.361 6.592 -11.758 1.00 0.00 H ATOM 495 HG12 VAL B 33 -14.944 6.371 -10.705 1.00 0.00 H ATOM 496 HG13 VAL B 33 -14.826 7.404 -12.149 1.00 0.00 H ATOM 497 HG21 VAL B 33 -16.606 5.525 -13.791 1.00 0.00 H ATOM 498 HG22 VAL B 33 -15.110 6.148 -14.526 1.00 0.00 H ATOM 499 HG23 VAL B 33 -15.395 4.393 -14.438 1.00 0.00 H ATOM 500 N VAL B 34 -12.558 4.551 -10.398 1.00 33.37 N ATOM 501 CA VAL B 34 -12.106 5.038 -9.103 1.00 31.56 C ATOM 502 C VAL B 34 -10.566 5.055 -9.102 1.00 33.96 C ATOM 503 O VAL B 34 -9.914 5.946 -8.545 1.00 32.46 O ATOM 504 CB VAL B 34 -12.762 4.194 -8.003 1.00 17.71 C ATOM 505 CG1 VAL B 34 -12.143 4.357 -6.626 1.00 25.38 C ATOM 506 CG2 VAL B 34 -14.225 4.558 -7.890 1.00 39.63 C ATOM 507 H VAL B 34 -12.833 3.601 -10.602 1.00 0.00 H ATOM 508 HA VAL B 34 -12.582 5.995 -8.888 1.00 0.00 H ATOM 509 HB VAL B 34 -12.700 3.139 -8.268 1.00 0.00 H ATOM 510 HG11 VAL B 34 -12.670 3.723 -5.913 1.00 0.00 H ATOM 511 HG12 VAL B 34 -11.093 4.066 -6.662 1.00 0.00 H ATOM 512 HG13 VAL B 34 -12.221 5.398 -6.313 1.00 0.00 H ATOM 513 HG21 VAL B 34 -14.690 3.958 -7.108 1.00 0.00 H ATOM 514 HG22 VAL B 34 -14.319 5.615 -7.640 1.00 0.00 H ATOM 515 HG23 VAL B 34 -14.723 4.364 -8.840 1.00 0.00 H ATOM 516 N TYR B 35 -10.042 4.056 -9.792 1.00 41.71 N ATOM 517 CA TYR B 35 -8.618 3.820 -9.880 1.00 26.83 C ATOM 518 C TYR B 35 -8.220 3.838 -11.368 1.00 29.95 C ATOM 519 O TYR B 35 -8.128 2.744 -11.952 1.00 31.49 O ATOM 520 CB TYR B 35 -8.293 2.444 -9.266 1.00 21.83 C ATOM 521 CG TYR B 35 -8.863 2.289 -7.858 1.00 7.45 C ATOM 522 CD1 TYR B 35 -8.397 3.107 -6.856 1.00 20.66 C ATOM 523 CD2 TYR B 35 -9.821 1.348 -7.594 1.00 26.64 C ATOM 524 CE1 TYR B 35 -8.920 3.001 -5.581 1.00 49.60 C ATOM 525 CE2 TYR B 35 -10.353 1.227 -6.327 1.00 23.26 C ATOM 526 CZ TYR B 35 -9.912 2.056 -5.320 1.00 21.88 C ATOM 527 OH TYR B 35 -10.467 1.981 -4.066 1.00 21.89 O ATOM 528 H TYR B 35 -10.644 3.415 -10.289 1.00 0.00 H ATOM 529 HA TYR B 35 -8.085 4.607 -9.346 1.00 0.00 H ATOM 530 HB2 TYR B 35 -8.717 1.658 -9.890 1.00 0.00 H ATOM 531 HB3 TYR B 35 -7.212 2.318 -9.208 1.00 0.00 H ATOM 532 HD1 TYR B 35 -7.623 3.831 -7.066 1.00 0.00 H ATOM 533 HD2 TYR B 35 -10.166 0.693 -8.381 1.00 0.00 H ATOM 534 HE1 TYR B 35 -8.560 3.648 -4.794 1.00 0.00 H ATOM 535 HE2 TYR B 35 -11.112 0.485 -6.129 1.00 0.00 H ATOM 536 HH TYR B 35 -11.129 1.286 -4.050 1.00 0.00 H ATOM 537 N PRO B 36 -7.943 5.043 -11.912 1.00 26.47 N ATOM 538 CA PRO B 36 -7.865 5.286 -13.339 1.00 21.23 C ATOM 539 C PRO B 36 -6.655 4.571 -13.946 1.00 24.36 C ATOM 540 O PRO B 36 -6.686 4.231 -15.131 1.00 28.79 O ATOM 541 CB PRO B 36 -7.740 6.785 -13.509 1.00 67.35 C ATOM 542 CG PRO B 36 -8.281 7.366 -12.229 1.00 54.37 C ATOM 543 CD PRO B 36 -7.848 6.344 -11.201 1.00 48.50 C ATOM 544 HA PRO B 36 -8.772 4.920 -13.820 1.00 0.00 H ATOM 545 HB2 PRO B 36 -6.693 7.048 -13.660 1.00 0.00 H ATOM 546 HB3 PRO B 36 -8.322 7.103 -14.374 1.00 0.00 H ATOM 547 HG2 PRO B 36 -7.841 8.349 -12.061 1.00 0.00 H ATOM 548 HG3 PRO B 36 -9.364 7.461 -12.302 1.00 0.00 H ATOM 549 HD3 PRO B 36 -8.508 6.334 -10.334 1.00 0.00 H ATOM 550 HD2 PRO B 36 -6.821 6.505 -10.873 1.00 0.00 H ATOM 551 N TRP B 37 -5.636 4.331 -13.136 1.00 22.58 N ATOM 552 CA TRP B 37 -4.491 3.745 -13.765 1.00 22.65 C ATOM 553 C TRP B 37 -4.905 2.448 -14.386 1.00 16.20 C ATOM 554 O TRP B 37 -4.416 2.153 -15.468 1.00 19.99 O ATOM 555 CB TRP B 37 -3.284 3.549 -12.879 1.00 43.29 C ATOM 556 CG TRP B 37 -3.615 2.779 -11.604 1.00 20.49 C ATOM 557 CD1 TRP B 37 -3.548 1.423 -11.381 1.00 14.24 C ATOM 558 CD2 TRP B 37 -4.053 3.383 -10.419 1.00 6.11 C ATOM 559 NE1 TRP B 37 -3.941 1.180 -10.091 1.00 13.97 N ATOM 560 CE2 TRP B 37 -4.255 2.371 -9.491 1.00 9.61 C ATOM 561 CE3 TRP B 37 -4.286 4.706 -10.114 1.00 21.81 C ATOM 562 CZ2 TRP B 37 -4.734 2.606 -8.204 1.00 48.33 C ATOM 563 CZ3 TRP B 37 -4.758 4.958 -8.832 1.00 24.80 C ATOM 564 CH2 TRP B 37 -4.980 3.937 -7.891 1.00 24.35 C ATOM 565 H TRP B 37 -5.706 4.560 -12.155 1.00 0.00 H ATOM 566 HA TRP B 37 -4.059 4.456 -14.469 1.00 0.00 H ATOM 567 HB2 TRP B 37 -2.522 2.989 -13.421 1.00 0.00 H ATOM 568 HB3 TRP B 37 -2.883 4.521 -12.590 1.00 0.00 H ATOM 569 HD1 TRP B 37 -3.224 0.761 -12.171 1.00 0.00 H ATOM 570 HE1 TRP B 37 -3.960 0.234 -9.739 1.00 0.00 H ATOM 571 HE3 TRP B 37 -4.101 5.471 -10.853 1.00 0.00 H ATOM 572 HZ2 TRP B 37 -4.890 1.780 -7.526 1.00 0.00 H ATOM 573 HZ3 TRP B 37 -4.970 5.971 -8.524 1.00 0.00 H ATOM 574 HH2 TRP B 37 -5.348 4.202 -6.911 1.00 0.00 H ATOM 575 N THR B 38 -5.850 1.803 -13.751 1.00 19.70 N ATOM 576 CA THR B 38 -6.196 0.445 -14.171 1.00 13.81 C ATOM 577 C THR B 38 -6.781 0.449 -15.575 1.00 26.49 C ATOM 578 O THR B 38 -6.804 -0.616 -16.204 1.00 35.02 O ATOM 579 CB THR B 38 -7.199 -0.249 -13.240 1.00 31.90 C ATOM 580 OG1 THR B 38 -8.489 0.364 -13.222 1.00 20.97 O ATOM 581 CG2 THR B 38 -6.646 -0.483 -11.843 1.00 52.49 C ATOM 582 H THR B 38 -6.332 2.243 -12.980 1.00 0.00 H ATOM 583 HA THR B 38 -5.307 -0.185 -14.134 1.00 0.00 H ATOM 584 HB THR B 38 -7.206 -1.319 -13.446 1.00 0.00 H ATOM 585 HG1 THR B 38 -9.064 -0.117 -12.623 1.00 0.00 H ATOM 586 HG21 THR B 38 -7.401 -0.977 -11.231 1.00 0.00 H ATOM 587 HG22 THR B 38 -5.759 -1.113 -11.904 1.00 0.00 H ATOM 588 HG23 THR B 38 -6.381 0.473 -11.392 1.00 0.00 H ATOM 589 N GLN B 39 -7.255 1.622 -16.021 1.00 21.35 N ATOM 590 CA GLN B 39 -7.752 1.626 -17.415 1.00 43.74 C ATOM 591 C GLN B 39 -6.590 1.438 -18.412 1.00 75.69 C ATOM 592 O GLN B 39 -6.938 1.188 -19.562 1.00 41.02 O ATOM 593 CB GLN B 39 -8.454 2.893 -17.845 1.00 42.87 C ATOM 594 CG GLN B 39 -9.823 3.164 -17.242 1.00 33.33 C ATOM 595 CD GLN B 39 -10.001 4.680 -17.344 1.00 52.36 C ATOM 596 OE1 GLN B 39 -9.499 5.298 -18.298 1.00 51.10 O ATOM 597 NE2 GLN B 39 -10.681 5.256 -16.355 1.00 33.89 N ATOM 598 H GLN B 39 -7.256 2.430 -15.414 1.00 0.00 H ATOM 599 HA GLN B 39 -8.462 0.810 -17.551 1.00 0.00 H ATOM 600 HB2 GLN B 39 -7.842 3.756 -17.580 1.00 0.00 H ATOM 601 HB3 GLN B 39 -8.609 2.875 -18.924 1.00 0.00 H ATOM 602 HG2 GLN B 39 -10.583 2.629 -17.811 1.00 0.00 H ATOM 603 HG3 GLN B 39 -9.838 2.824 -16.206 1.00 0.00 H ATOM 604 HE22 GLN B 39 -10.834 6.254 -16.362 1.00 0.00 H ATOM 605 HE21 GLN B 39 -11.044 4.695 -15.598 1.00 0.00 H ATOM 606 N ARG B 40 -5.287 1.582 -18.006 1.00 43.23 N ATOM 607 CA ARG B 40 -4.107 1.061 -18.773 1.00 42.08 C ATOM 608 C ARG B 40 -4.466 -0.257 -19.458 1.00 35.94 C ATOM 609 O ARG B 40 -3.960 -0.560 -20.540 1.00 48.05 O ATOM 610 CB ARG B 40 -2.891 0.682 -17.856 1.00 38.87 C ATOM 611 CG ARG B 40 -1.507 1.113 -18.373 1.00 31.04 C ATOM 612 CD ARG B 40 -0.336 0.192 -18.124 1.00 23.34 C ATOM 613 NE ARG B 40 0.802 0.751 -18.939 1.00 63.44 N ATOM 614 CZ ARG B 40 1.256 0.327 -20.153 1.00 93.31 C ATOM 615 NH1 ARG B 40 0.669 -0.647 -20.871 1.00 80.37 N ATOM 616 NH2 ARG B 40 2.314 0.924 -20.699 1.00 42.03 N1+ ATOM 617 H ARG B 40 -5.077 2.063 -17.143 1.00 0.00 H ATOM 618 HA ARG B 40 -3.865 1.751 -19.581 1.00 0.00 H ATOM 619 HB2 ARG B 40 -3.012 1.151 -16.879 1.00 0.00 H ATOM 620 HB3 ARG B 40 -2.849 -0.401 -17.736 1.00 0.00 H ATOM 621 HG2 ARG B 40 -1.545 1.235 -19.456 1.00 0.00 H ATOM 622 HG3 ARG B 40 -1.225 2.059 -17.911 1.00 0.00 H ATOM 623 HD2 ARG B 40 -0.097 0.187 -17.061 1.00 0.00 H ATOM 624 HD3 ARG B 40 -0.593 -0.818 -18.443 1.00 0.00 H ATOM 625 HE ARG B 40 1.245 1.534 -18.480 1.00 0.00 H ATOM 626 HH12 ARG B 40 1.053 -0.917 -21.765 1.00 0.00 H ATOM 627 HH11 ARG B 40 -0.156 -1.109 -20.516 1.00 0.00 H ATOM 628 HH22 ARG B 40 2.659 0.618 -21.598 1.00 0.00 H ATOM 629 HH21 ARG B 40 2.772 1.683 -20.214 1.00 0.00 H ATOM 630 N PHE B 41 -5.295 -1.046 -18.799 1.00 19.47 N ATOM 631 CA PHE B 41 -5.387 -2.459 -19.151 1.00 23.81 C ATOM 632 C PHE B 41 -6.508 -2.747 -20.135 1.00 66.29 C ATOM 633 O PHE B 41 -6.610 -3.891 -20.577 1.00 46.99 O ATOM 634 CB PHE B 41 -5.609 -3.234 -17.846 1.00 26.78 C ATOM 635 CG PHE B 41 -4.345 -3.326 -16.962 1.00 48.49 C ATOM 636 CD1 PHE B 41 -4.187 -2.486 -15.892 1.00 66.03 C ATOM 637 CD2 PHE B 41 -3.363 -4.242 -17.235 1.00 43.71 C ATOM 638 CE1 PHE B 41 -3.065 -2.555 -15.099 1.00 41.94 C ATOM 639 CE2 PHE B 41 -2.223 -4.313 -16.445 1.00 36.66 C ATOM 640 CZ PHE B 41 -2.074 -3.470 -15.374 1.00 52.93 C ATOM 641 H PHE B 41 -5.864 -0.671 -18.053 1.00 0.00 H ATOM 642 HA PHE B 41 -4.442 -2.789 -19.582 1.00 0.00 H ATOM 643 HB2 PHE B 41 -6.383 -2.742 -17.258 1.00 0.00 H ATOM 644 HB3 PHE B 41 -5.921 -4.253 -18.076 1.00 0.00 H ATOM 645 HD1 PHE B 41 -4.949 -1.757 -15.661 1.00 0.00 H ATOM 646 HD2 PHE B 41 -3.472 -4.917 -18.071 1.00 0.00 H ATOM 647 HE1 PHE B 41 -2.958 -1.889 -14.255 1.00 0.00 H ATOM 648 HE2 PHE B 41 -1.452 -5.033 -16.674 1.00 0.00 H ATOM 649 HZ PHE B 41 -1.194 -3.517 -14.750 1.00 0.00 H ATOM 650 N PHE B 42 -7.325 -1.731 -20.421 1.00 43.81 N ATOM 651 CA PHE B 42 -8.540 -1.848 -21.261 1.00 30.49 C ATOM 652 C PHE B 42 -8.628 -0.709 -22.302 1.00 42.81 C ATOM 653 O PHE B 42 -9.704 -0.150 -22.568 1.00 51.19 O ATOM 654 CB PHE B 42 -9.753 -1.763 -20.323 1.00 21.41 C ATOM 655 CG PHE B 42 -9.759 -2.819 -19.199 1.00 34.33 C ATOM 656 CD1 PHE B 42 -9.363 -2.485 -17.915 1.00 21.54 C ATOM 657 CD2 PHE B 42 -10.164 -4.115 -19.470 1.00 50.07 C ATOM 658 CE1 PHE B 42 -9.363 -3.437 -16.916 1.00 18.06 C ATOM 659 CE2 PHE B 42 -10.180 -5.080 -18.471 1.00 25.96 C ATOM 660 CZ PHE B 42 -9.785 -4.734 -17.180 1.00 33.25 C ATOM 661 H PHE B 42 -7.131 -0.809 -20.057 1.00 0.00 H ATOM 662 HA PHE B 42 -8.519 -2.794 -21.802 1.00 0.00 H ATOM 663 HB2 PHE B 42 -9.773 -0.785 -19.842 1.00 0.00 H ATOM 664 HB3 PHE B 42 -10.668 -1.904 -20.898 1.00 0.00 H ATOM 665 HD1 PHE B 42 -9.052 -1.475 -17.691 1.00 0.00 H ATOM 666 HD2 PHE B 42 -10.473 -4.387 -20.469 1.00 0.00 H ATOM 667 HE1 PHE B 42 -9.033 -3.176 -15.921 1.00 0.00 H ATOM 668 HE2 PHE B 42 -10.496 -6.087 -18.698 1.00 0.00 H ATOM 669 HZ PHE B 42 -9.806 -5.467 -16.387 1.00 0.00 H ATOM 670 N GLU B 43 -7.488 -0.374 -22.859 1.00 39.22 N ATOM 671 CA GLU B 43 -7.388 0.599 -23.966 1.00 37.63 C ATOM 672 C GLU B 43 -8.091 0.024 -25.210 1.00 58.06 C ATOM 673 O GLU B 43 -8.595 0.757 -26.057 1.00 41.01 O ATOM 674 CB GLU B 43 -5.882 0.816 -24.241 1.00 36.03 C ATOM 675 CG GLU B 43 -5.213 1.413 -23.002 1.00 71.04 C ATOM 676 CD GLU B 43 -3.898 2.163 -23.276 1.00 98.30 C ATOM 677 OE1 GLU B 43 -3.491 2.282 -24.442 1.00 81.93 O ATOM 678 OE2 GLU B 43 -3.284 2.618 -22.297 1.00 66.01 O1- ATOM 679 H GLU B 43 -6.626 -0.787 -22.533 1.00 0.00 H ATOM 680 HA GLU B 43 -7.871 1.532 -23.675 1.00 0.00 H ATOM 681 HB2 GLU B 43 -5.414 -0.139 -24.479 1.00 0.00 H ATOM 682 HB3 GLU B 43 -5.760 1.499 -25.082 1.00 0.00 H ATOM 683 HG2 GLU B 43 -5.889 2.127 -22.532 1.00 0.00 H ATOM 684 HG3 GLU B 43 -4.978 0.617 -22.296 1.00 0.00 H ATOM 685 N SER B 44 -8.103 -1.310 -25.258 1.00 94.12 N ATOM 686 CA SER B 44 -8.711 -2.152 -26.308 1.00 52.37 C ATOM 687 C SER B 44 -10.245 -2.081 -26.256 1.00 70.22 C ATOM 688 O SER B 44 -10.948 -2.600 -27.137 1.00 69.97 O ATOM 689 CB SER B 44 -8.287 -3.609 -26.078 1.00 83.12 C ATOM 690 OG SER B 44 -9.090 -4.304 -25.104 1.00 35.67 O ATOM 691 H SER B 44 -7.664 -1.846 -24.523 1.00 0.00 H ATOM 692 HA SER B 44 -8.392 -1.798 -27.288 1.00 0.00 H ATOM 693 HB2 SER B 44 -8.365 -4.163 -27.014 1.00 0.00 H ATOM 694 HB3 SER B 44 -7.256 -3.637 -25.725 1.00 0.00 H ATOM 695 HG SER B 44 -8.772 -5.205 -25.010 1.00 0.00 H ATOM 696 N PHE B 45 -10.740 -1.453 -25.220 1.00 33.81 N ATOM 697 CA PHE B 45 -12.194 -1.558 -24.901 1.00 32.25 C ATOM 698 C PHE B 45 -13.014 -0.357 -25.323 1.00 53.07 C ATOM 699 O PHE B 45 -14.237 -0.428 -25.171 1.00 53.88 O ATOM 700 CB PHE B 45 -12.415 -1.536 -23.407 1.00 48.96 C ATOM 701 CG PHE B 45 -12.496 -2.924 -22.815 1.00 28.46 C ATOM 702 CD1 PHE B 45 -13.214 -3.076 -21.666 1.00 57.58 C ATOM 703 CD2 PHE B 45 -11.874 -3.993 -23.410 1.00 37.68 C ATOM 704 CE1 PHE B 45 -13.322 -4.308 -21.095 1.00 37.54 C ATOM 705 CE2 PHE B 45 -11.982 -5.235 -22.833 1.00 57.52 C ATOM 706 CZ PHE B 45 -12.707 -5.380 -21.680 1.00 12.29 C ATOM 707 H PHE B 45 -10.137 -0.894 -24.633 1.00 0.00 H ATOM 708 HA PHE B 45 -12.643 -2.346 -25.506 1.00 0.00 H ATOM 709 HB2 PHE B 45 -11.589 -1.013 -22.925 1.00 0.00 H ATOM 710 HB3 PHE B 45 -13.350 -1.021 -23.185 1.00 0.00 H ATOM 711 HD1 PHE B 45 -13.694 -2.222 -21.212 1.00 0.00 H ATOM 712 HD2 PHE B 45 -11.309 -3.851 -24.320 1.00 0.00 H ATOM 713 HE1 PHE B 45 -13.891 -4.434 -20.186 1.00 0.00 H ATOM 714 HE2 PHE B 45 -11.498 -6.086 -23.289 1.00 0.00 H ATOM 715 HZ PHE B 45 -12.789 -6.360 -21.233 1.00 0.00 H ATOM 716 N GLY B 46 -12.372 0.723 -25.761 1.00 54.20 N ATOM 717 CA GLY B 46 -13.254 1.804 -26.223 1.00 41.89 C ATOM 718 C GLY B 46 -13.186 3.039 -25.341 1.00 26.63 C ATOM 719 O GLY B 46 -12.291 3.207 -24.515 1.00 34.96 O ATOM 720 H GLY B 46 -11.362 0.747 -25.755 1.00 0.00 H ATOM 721 HA2 GLY B 46 -12.968 2.101 -27.232 1.00 0.00 H ATOM 722 HA3 GLY B 46 -14.287 1.455 -26.226 1.00 0.00 H ATOM 723 N ASP B 47 -14.160 3.883 -25.554 1.00 39.40 N ATOM 724 CA ASP B 47 -14.104 5.137 -24.842 1.00 41.94 C ATOM 725 C ASP B 47 -14.328 4.835 -23.387 1.00 29.01 C ATOM 726 O ASP B 47 -15.357 4.253 -23.047 1.00 48.73 O ATOM 727 CB ASP B 47 -15.255 6.027 -25.329 1.00 76.85 C ATOM 728 CG ASP B 47 -15.334 7.403 -24.660 1.00 61.46 C ATOM 729 OD1 ASP B 47 -16.479 7.834 -24.549 1.00 81.65 O ATOM 730 OD2 ASP B 47 -14.334 8.043 -24.309 1.00 77.15 O1- ATOM 731 H ASP B 47 -14.905 3.644 -26.192 1.00 0.00 H ATOM 732 HA ASP B 47 -13.108 5.568 -24.943 1.00 0.00 H ATOM 733 HB2 ASP B 47 -15.149 6.205 -26.399 1.00 0.00 H ATOM 734 HB3 ASP B 47 -16.206 5.530 -25.136 1.00 0.00 H ATOM 735 N LEU B 48 -13.356 5.213 -22.595 1.00 43.27 N ATOM 736 CA LEU B 48 -13.512 5.261 -21.104 1.00 51.42 C ATOM 737 C LEU B 48 -13.158 6.679 -20.604 1.00 58.18 C ATOM 738 O LEU B 48 -12.536 6.808 -19.545 1.00 39.38 O ATOM 739 CB LEU B 48 -12.530 4.277 -20.433 1.00 56.92 C ATOM 740 CG LEU B 48 -12.412 2.887 -21.072 1.00 57.49 C ATOM 741 CD1 LEU B 48 -11.239 2.080 -20.483 1.00 39.88 C ATOM 742 CD2 LEU B 48 -13.724 2.122 -20.967 1.00 37.39 C ATOM 743 H LEU B 48 -12.464 5.485 -22.984 1.00 0.00 H ATOM 744 HA LEU B 48 -14.552 5.066 -20.840 1.00 0.00 H ATOM 745 HB2 LEU B 48 -11.525 4.698 -20.449 1.00 0.00 H ATOM 746 HB3 LEU B 48 -12.835 4.105 -19.401 1.00 0.00 H ATOM 747 HG LEU B 48 -12.344 2.989 -22.155 1.00 0.00 H ATOM 748 HD11 LEU B 48 -11.192 1.103 -20.964 1.00 0.00 H ATOM 749 HD12 LEU B 48 -10.305 2.615 -20.657 1.00 0.00 H ATOM 750 HD13 LEU B 48 -11.388 1.950 -19.411 1.00 0.00 H ATOM 751 HD21 LEU B 48 -13.611 1.141 -21.428 1.00 0.00 H ATOM 752 HD22 LEU B 48 -13.992 2.001 -19.917 1.00 0.00 H ATOM 753 HD23 LEU B 48 -14.510 2.676 -21.480 1.00 0.00 H ATOM 754 N SER B 49 -13.500 7.757 -21.320 1.00 37.72 N ATOM 755 CA SER B 49 -12.773 8.961 -20.915 1.00 89.95 C ATOM 756 C SER B 49 -13.683 9.686 -19.944 1.00 45.96 C ATOM 757 O SER B 49 -13.316 10.656 -19.297 1.00 78.14 O ATOM 758 CB SER B 49 -12.332 9.842 -22.107 1.00 97.75 C ATOM 759 OG SER B 49 -11.327 10.801 -21.701 1.00 65.84 O ATOM 760 H SER B 49 -14.194 7.679 -22.049 1.00 0.00 H ATOM 761 HA SER B 49 -11.799 8.680 -20.513 1.00 0.00 H ATOM 762 HB2 SER B 49 -11.915 9.211 -22.891 1.00 0.00 H ATOM 763 HB3 SER B 49 -13.194 10.384 -22.497 1.00 0.00 H ATOM 764 HG SER B 49 -11.070 11.335 -22.456 1.00 0.00 H ATOM 765 N THR B 50 -14.847 9.199 -19.862 1.00 32.43 N ATOM 766 CA THR B 50 -15.796 9.750 -18.918 1.00 24.60 C ATOM 767 C THR B 50 -16.459 8.504 -18.292 1.00 55.63 C ATOM 768 O THR B 50 -16.610 7.447 -18.908 1.00 63.15 O ATOM 769 CB THR B 50 -16.868 10.659 -19.633 1.00 63.64 C ATOM 770 OG1 THR B 50 -18.206 10.042 -19.788 1.00 39.50 O ATOM 771 CG2 THR B 50 -16.402 11.163 -21.015 1.00 80.68 C ATOM 772 H THR B 50 -15.114 8.426 -20.455 1.00 0.00 H ATOM 773 HA THR B 50 -15.266 10.344 -18.174 1.00 0.00 H ATOM 774 HB THR B 50 -16.946 11.611 -19.108 1.00 0.00 H ATOM 775 HG1 THR B 50 -18.794 10.659 -20.230 1.00 0.00 H ATOM 776 HG21 THR B 50 -17.181 11.783 -21.458 1.00 0.00 H ATOM 777 HG22 THR B 50 -15.492 11.752 -20.900 1.00 0.00 H ATOM 778 HG23 THR B 50 -16.203 10.311 -21.665 1.00 0.00 H ATOM 779 N PRO B 51 -16.799 8.602 -17.057 1.00 23.91 N ATOM 780 CA PRO B 51 -17.284 7.470 -16.319 1.00 21.98 C ATOM 781 C PRO B 51 -18.651 7.051 -16.818 1.00 17.92 C ATOM 782 O PRO B 51 -19.087 5.945 -16.459 1.00 17.07 O ATOM 783 CB PRO B 51 -17.374 7.978 -14.869 1.00 48.43 C ATOM 784 CG PRO B 51 -17.310 9.496 -14.948 1.00 43.15 C ATOM 785 CD PRO B 51 -16.485 9.763 -16.188 1.00 38.07 C ATOM 786 HA PRO B 51 -16.607 6.627 -16.458 1.00 0.00 H ATOM 787 HB2 PRO B 51 -18.313 7.647 -14.425 1.00 0.00 H ATOM 788 HB3 PRO B 51 -16.540 7.580 -14.291 1.00 0.00 H ATOM 789 HG2 PRO B 51 -18.319 9.899 -15.032 1.00 0.00 H ATOM 790 HG3 PRO B 51 -16.837 9.888 -14.048 1.00 0.00 H ATOM 791 HD3 PRO B 51 -15.415 9.784 -15.982 1.00 0.00 H ATOM 792 HD2 PRO B 51 -16.775 10.684 -16.693 1.00 0.00 H ATOM 793 N ASP B 52 -19.303 7.951 -17.565 1.00 23.66 N ATOM 794 CA ASP B 52 -20.608 7.556 -18.093 1.00 15.04 C ATOM 795 C ASP B 52 -20.363 6.599 -19.228 1.00 14.12 C ATOM 796 O ASP B 52 -21.032 5.584 -19.396 1.00 38.65 O ATOM 797 CB ASP B 52 -21.424 8.733 -18.586 1.00 29.40 C ATOM 798 CG ASP B 52 -21.876 9.627 -17.431 1.00 82.96 C ATOM 799 OD1 ASP B 52 -22.546 9.121 -16.536 1.00 54.33 O ATOM 800 OD2 ASP B 52 -21.605 10.832 -17.446 1.00 78.75 O1- ATOM 801 H ASP B 52 -18.890 8.856 -17.741 1.00 0.00 H ATOM 802 HA ASP B 52 -21.195 7.090 -17.302 1.00 0.00 H ATOM 803 HB2 ASP B 52 -20.822 9.332 -19.270 1.00 0.00 H ATOM 804 HB3 ASP B 52 -22.310 8.369 -19.106 1.00 0.00 H ATOM 805 N ALA B 53 -19.363 6.986 -19.957 1.00 29.30 N ATOM 806 CA ALA B 53 -18.843 6.135 -21.020 1.00 49.80 C ATOM 807 C ALA B 53 -18.220 4.846 -20.479 1.00 25.33 C ATOM 808 O ALA B 53 -17.940 3.907 -21.263 1.00 33.24 O ATOM 809 CB ALA B 53 -17.764 6.942 -21.756 1.00100.00 C ATOM 810 H ALA B 53 -18.936 7.886 -19.791 1.00 0.00 H ATOM 811 HA ALA B 53 -19.654 5.855 -21.692 1.00 0.00 H ATOM 812 HB1 ALA B 53 -17.347 6.340 -22.563 1.00 0.00 H ATOM 813 HB2 ALA B 53 -18.207 7.848 -22.171 1.00 0.00 H ATOM 814 HB3 ALA B 53 -16.972 7.212 -21.058 1.00 0.00 H ATOM 815 N VAL B 54 -17.925 4.811 -19.199 1.00 30.00 N ATOM 816 CA VAL B 54 -17.372 3.546 -18.651 1.00 85.34 C ATOM 817 C VAL B 54 -18.555 2.653 -18.214 1.00 41.52 C ATOM 818 O VAL B 54 -18.522 1.407 -18.289 1.00 26.87 O ATOM 819 CB VAL B 54 -16.317 3.792 -17.514 1.00 45.91 C ATOM 820 CG1 VAL B 54 -15.821 2.518 -16.862 1.00 20.26 C ATOM 821 CG2 VAL B 54 -15.042 4.500 -17.958 1.00 24.06 C ATOM 822 H VAL B 54 -18.076 5.627 -18.623 1.00 0.00 H ATOM 823 HA VAL B 54 -16.696 3.098 -19.380 1.00 0.00 H ATOM 824 HB VAL B 54 -16.764 4.402 -16.729 1.00 0.00 H ATOM 825 HG11 VAL B 54 -15.096 2.765 -16.087 1.00 0.00 H ATOM 826 HG12 VAL B 54 -16.662 1.986 -16.416 1.00 0.00 H ATOM 827 HG13 VAL B 54 -15.348 1.885 -17.613 1.00 0.00 H ATOM 828 HG21 VAL B 54 -14.378 4.623 -17.103 1.00 0.00 H ATOM 829 HG22 VAL B 54 -14.543 3.905 -18.722 1.00 0.00 H ATOM 830 HG23 VAL B 54 -15.293 5.479 -18.367 1.00 0.00 H ATOM 831 N MET B 55 -19.622 3.307 -17.793 1.00 44.26 N ATOM 832 CA MET B 55 -20.587 2.480 -17.112 1.00 21.15 C ATOM 833 C MET B 55 -21.666 1.946 -18.024 1.00 35.42 C ATOM 834 O MET B 55 -22.412 1.090 -17.556 1.00 50.71 O ATOM 835 CB MET B 55 -21.145 3.226 -15.938 1.00 22.70 C ATOM 836 CG MET B 55 -20.036 3.466 -14.892 1.00 42.35 C ATOM 837 SD MET B 55 -19.436 2.027 -13.919 1.00 39.19 S ATOM 838 CE MET B 55 -18.207 3.045 -13.115 1.00 83.59 C ATOM 839 H MET B 55 -19.704 4.300 -17.960 1.00 0.00 H ATOM 840 HA MET B 55 -20.070 1.689 -16.570 1.00 0.00 H ATOM 841 HB2 MET B 55 -21.538 4.186 -16.271 1.00 0.00 H ATOM 842 HB3 MET B 55 -21.947 2.643 -15.484 1.00 0.00 H ATOM 843 HG2 MET B 55 -19.149 3.861 -15.387 1.00 0.00 H ATOM 844 HG3 MET B 55 -20.386 4.182 -14.149 1.00 0.00 H ATOM 845 HE1 MET B 55 -17.633 2.438 -12.415 1.00 0.00 H ATOM 846 HE2 MET B 55 -17.537 3.466 -13.864 1.00 0.00 H ATOM 847 HE3 MET B 55 -18.701 3.853 -12.575 1.00 0.00 H ATOM 848 N GLY B 56 -21.685 2.450 -19.264 1.00 63.42 N ATOM 849 CA GLY B 56 -22.520 1.917 -20.365 1.00 75.66 C ATOM 850 C GLY B 56 -21.648 1.444 -21.536 1.00 62.91 C ATOM 851 O GLY B 56 -21.987 1.589 -22.722 1.00 72.12 O ATOM 852 H GLY B 56 -21.105 3.244 -19.495 1.00 0.00 H ATOM 853 HA2 GLY B 56 -23.105 1.072 -20.002 1.00 0.00 H ATOM 854 HA3 GLY B 56 -23.192 2.697 -20.722 1.00 0.00 H ATOM 855 N ASN B 57 -20.481 0.915 -21.172 1.00 48.17 N ATOM 856 CA ASN B 57 -19.641 0.330 -22.176 1.00 21.33 C ATOM 857 C ASN B 57 -19.850 -1.166 -22.075 1.00 17.09 C ATOM 858 O ASN B 57 -19.885 -1.700 -20.963 1.00 35.61 O ATOM 859 CB ASN B 57 -18.201 0.735 -21.963 1.00 41.96 C ATOM 860 CG ASN B 57 -17.260 0.028 -22.968 1.00 74.21 C ATOM 861 OD1 ASN B 57 -17.352 -1.150 -23.362 1.00 31.15 O ATOM 862 ND2 ASN B 57 -16.273 0.793 -23.324 1.00 64.75 N ATOM 863 H ASN B 57 -20.200 0.930 -20.202 1.00 0.00 H ATOM 864 HA ASN B 57 -19.904 0.736 -23.153 1.00 0.00 H ATOM 865 HB2 ASN B 57 -18.102 1.812 -22.097 1.00 0.00 H ATOM 866 HB3 ASN B 57 -17.893 0.465 -20.953 1.00 0.00 H ATOM 867 HD22 ASN B 57 -15.582 0.454 -23.978 1.00 0.00 H ATOM 868 HD21 ASN B 57 -16.196 1.727 -22.947 1.00 0.00 H ATOM 869 N PRO B 58 -20.124 -1.758 -23.222 1.00 44.83 N ATOM 870 CA PRO B 58 -20.674 -3.111 -23.333 1.00 52.21 C ATOM 871 C PRO B 58 -19.539 -4.107 -23.198 1.00 40.68 C ATOM 872 O PRO B 58 -19.790 -5.249 -22.829 1.00 30.69 O ATOM 873 CB PRO B 58 -21.350 -3.230 -24.705 1.00 43.76 C ATOM 874 CG PRO B 58 -21.594 -1.778 -25.054 1.00 88.45 C ATOM 875 CD PRO B 58 -20.356 -1.069 -24.499 1.00100.00 C ATOM 876 HA PRO B 58 -21.410 -3.271 -22.545 1.00 0.00 H ATOM 877 HB2 PRO B 58 -20.677 -3.731 -25.400 1.00 0.00 H ATOM 878 HB3 PRO B 58 -22.269 -3.809 -24.609 1.00 0.00 H ATOM 879 HG2 PRO B 58 -21.683 -1.674 -26.135 1.00 0.00 H ATOM 880 HG3 PRO B 58 -22.515 -1.440 -24.579 1.00 0.00 H ATOM 881 HD3 PRO B 58 -20.529 -0.009 -24.314 1.00 0.00 H ATOM 882 HD2 PRO B 58 -19.483 -1.188 -25.141 1.00 0.00 H ATOM 883 N LYS B 59 -18.346 -3.647 -23.521 1.00 28.02 N ATOM 884 CA LYS B 59 -17.219 -4.558 -23.382 1.00 32.71 C ATOM 885 C LYS B 59 -16.922 -4.674 -21.883 1.00 38.89 C ATOM 886 O LYS B 59 -16.554 -5.761 -21.403 1.00 36.35 O ATOM 887 CB LYS B 59 -16.030 -4.011 -24.131 1.00 22.54 C ATOM 888 CG LYS B 59 -16.154 -4.071 -25.649 1.00 78.69 C ATOM 889 CD LYS B 59 -14.997 -4.906 -26.242 1.00 75.76 C ATOM 890 CE LYS B 59 -14.954 -4.971 -27.773 1.00 72.11 C ATOM 891 NZ LYS B 59 -14.525 -3.674 -28.328 1.00 82.78 N1+ ATOM 892 H LYS B 59 -18.243 -2.697 -23.849 1.00 0.00 H ATOM 893 HA LYS B 59 -17.480 -5.527 -23.808 1.00 0.00 H ATOM 894 HB2 LYS B 59 -15.884 -2.963 -23.867 1.00 0.00 H ATOM 895 HB3 LYS B 59 -15.139 -4.579 -23.864 1.00 0.00 H ATOM 896 HG2 LYS B 59 -17.104 -4.533 -25.919 1.00 0.00 H ATOM 897 HG3 LYS B 59 -16.113 -3.061 -26.058 1.00 0.00 H ATOM 898 HD2 LYS B 59 -14.044 -4.484 -25.924 1.00 0.00 H ATOM 899 HD3 LYS B 59 -15.074 -5.935 -25.891 1.00 0.00 H ATOM 900 HE2 LYS B 59 -14.249 -5.742 -28.085 1.00 0.00 H ATOM 901 HE3 LYS B 59 -15.946 -5.211 -28.155 1.00 0.00 H ATOM 902 HZ1 LYS B 59 -14.501 -3.730 -29.336 1.00 0.00 H ATOM 903 HZ2 LYS B 59 -15.176 -2.955 -28.047 1.00 0.00 H ATOM 904 HZ3 LYS B 59 -13.604 -3.447 -27.982 1.00 0.00 H ATOM 905 N VAL B 60 -17.160 -3.521 -21.215 1.00 44.19 N ATOM 906 CA VAL B 60 -16.897 -3.342 -19.767 1.00 43.07 C ATOM 907 C VAL B 60 -17.848 -4.224 -18.936 1.00 38.90 C ATOM 908 O VAL B 60 -17.404 -4.915 -18.005 1.00 32.54 O ATOM 909 CB VAL B 60 -16.922 -1.851 -19.369 1.00 35.63 C ATOM 910 CG1 VAL B 60 -17.048 -1.619 -17.855 1.00 55.60 C ATOM 911 CG2 VAL B 60 -15.707 -1.109 -19.899 1.00 66.97 C ATOM 912 H VAL B 60 -17.537 -2.722 -21.705 1.00 0.00 H ATOM 913 HA VAL B 60 -15.836 -3.495 -19.568 1.00 0.00 H ATOM 914 HB VAL B 60 -17.722 -1.344 -19.908 1.00 0.00 H ATOM 915 HG11 VAL B 60 -17.059 -0.548 -17.651 1.00 0.00 H ATOM 916 HG12 VAL B 60 -17.974 -2.067 -17.494 1.00 0.00 H ATOM 917 HG13 VAL B 60 -16.201 -2.077 -17.345 1.00 0.00 H ATOM 918 HG21 VAL B 60 -15.760 -0.063 -19.599 1.00 0.00 H ATOM 919 HG22 VAL B 60 -14.801 -1.558 -19.492 1.00 0.00 H ATOM 920 HG23 VAL B 60 -15.687 -1.174 -20.987 1.00 0.00 H ATOM 921 N LYS B 61 -19.120 -4.230 -19.333 1.00 76.96 N ATOM 922 CA LYS B 61 -20.141 -5.110 -18.698 1.00 47.35 C ATOM 923 C LYS B 61 -19.983 -6.552 -19.175 1.00 13.19 C ATOM 924 O LYS B 61 -20.420 -7.496 -18.526 1.00 35.10 O ATOM 925 CB LYS B 61 -21.548 -4.607 -19.075 1.00100.00 C ATOM 926 CG LYS B 61 -21.708 -4.559 -20.601 1.00100.00 C ATOM 927 CD LYS B 61 -23.118 -4.545 -21.187 1.00100.00 C ATOM 928 CE LYS B 61 -23.138 -5.299 -22.533 1.00 63.99 C ATOM 929 NZ LYS B 61 -24.454 -5.090 -23.185 1.00 73.00 N1+ ATOM 930 H LYS B 61 -19.417 -3.626 -20.086 1.00 0.00 H ATOM 931 HA LYS B 61 -20.023 -5.082 -17.615 1.00 0.00 H ATOM 932 HB2 LYS B 61 -22.298 -5.280 -18.661 1.00 0.00 H ATOM 933 HB3 LYS B 61 -21.697 -3.606 -18.671 1.00 0.00 H ATOM 934 HG2 LYS B 61 -21.238 -3.655 -20.988 1.00 0.00 H ATOM 935 HG3 LYS B 61 -21.232 -5.434 -21.044 1.00 0.00 H ATOM 936 HD2 LYS B 61 -23.805 -5.031 -20.494 1.00 0.00 H ATOM 937 HD3 LYS B 61 -23.435 -3.515 -21.349 1.00 0.00 H ATOM 938 HE2 LYS B 61 -22.345 -4.917 -23.176 1.00 0.00 H ATOM 939 HE3 LYS B 61 -22.981 -6.363 -22.356 1.00 0.00 H ATOM 940 HZ1 LYS B 61 -24.475 -5.581 -24.067 1.00 0.00 H ATOM 941 HZ2 LYS B 61 -25.187 -5.443 -22.586 1.00 0.00 H ATOM 942 HZ3 LYS B 61 -24.598 -4.103 -23.346 1.00 0.00 H ATOM 943 N ALA B 62 -19.349 -6.702 -20.350 1.00 54.79 N ATOM 944 CA ALA B 62 -19.086 -8.001 -21.010 1.00 68.71 C ATOM 945 C ALA B 62 -18.004 -8.743 -20.242 1.00 28.59 C ATOM 946 O ALA B 62 -17.973 -9.982 -20.152 1.00 29.42 O ATOM 947 CB ALA B 62 -18.553 -7.775 -22.435 1.00 39.88 C ATOM 948 H ALA B 62 -19.013 -5.891 -20.849 1.00 0.00 H ATOM 949 HA ALA B 62 -19.987 -8.614 -20.978 1.00 0.00 H ATOM 950 HB1 ALA B 62 -18.364 -8.738 -22.910 1.00 0.00 H ATOM 951 HB2 ALA B 62 -19.291 -7.223 -23.016 1.00 0.00 H ATOM 952 HB3 ALA B 62 -17.626 -7.204 -22.390 1.00 0.00 H ATOM 953 N HIS B 63 -17.145 -7.894 -19.709 1.00 33.31 N ATOM 954 CA HIS B 63 -15.988 -8.490 -19.159 1.00 29.62 C ATOM 955 C HIS B 63 -16.232 -8.816 -17.693 1.00 54.89 C ATOM 956 O HIS B 63 -15.744 -9.831 -17.148 1.00 28.85 O ATOM 957 CB HIS B 63 -14.837 -7.541 -19.364 1.00 40.54 C ATOM 958 CG HIS B 63 -13.561 -8.247 -18.895 1.00 36.05 C ATOM 959 ND1 HIS B 63 -13.100 -9.426 -19.510 1.00 35.17 N ATOM 960 CD2 HIS B 63 -12.714 -7.912 -17.866 1.00 18.96 C ATOM 961 CE1 HIS B 63 -11.932 -9.802 -18.850 1.00 30.28 C ATOM 962 NE2 HIS B 63 -11.712 -8.844 -17.830 1.00 39.35 N ATOM 963 H HIS B 63 -17.343 -6.904 -19.717 1.00 0.00 H ATOM 964 HA HIS B 63 -15.725 -9.376 -19.737 1.00 0.00 H ATOM 965 HB2 HIS B 63 -14.761 -7.284 -20.421 1.00 0.00 H ATOM 966 HB3 HIS B 63 -15.004 -6.635 -18.781 1.00 0.00 H ATOM 967 HD1 HIS B 63 -13.614 -9.827 -20.282 1.00 0.00 H ATOM 968 HD2 HIS B 63 -12.915 -7.039 -17.263 1.00 0.00 H ATOM 969 HE1 HIS B 63 -11.395 -10.685 -19.164 1.00 0.00 H ATOM 970 N GLY B 64 -17.009 -7.905 -17.136 1.00 26.35 N ATOM 971 CA GLY B 64 -17.296 -7.936 -15.663 1.00 35.71 C ATOM 972 C GLY B 64 -18.116 -9.145 -15.216 1.00 35.56 C ATOM 973 O GLY B 64 -18.148 -9.507 -14.027 1.00 22.70 O ATOM 974 H GLY B 64 -17.418 -7.176 -17.702 1.00 0.00 H ATOM 975 HA2 GLY B 64 -16.357 -7.962 -15.110 1.00 0.00 H ATOM 976 HA3 GLY B 64 -17.858 -7.045 -15.383 1.00 0.00 H ATOM 977 N LYS B 65 -18.775 -9.748 -16.176 1.00 46.78 N ATOM 978 CA LYS B 65 -19.523 -10.943 -15.809 1.00 41.62 C ATOM 979 C LYS B 65 -18.593 -12.151 -15.799 1.00 46.91 C ATOM 980 O LYS B 65 -18.806 -13.124 -15.042 1.00 35.82 O ATOM 981 CB LYS B 65 -20.646 -11.121 -16.817 1.00100.00 C ATOM 982 CG LYS B 65 -21.351 -12.451 -16.593 1.00 83.86 C ATOM 983 CD LYS B 65 -22.817 -12.391 -16.971 1.00 80.50 C ATOM 984 CE LYS B 65 -23.290 -13.759 -17.444 1.00 86.72 C ATOM 985 NZ LYS B 65 -22.594 -14.050 -18.707 1.00 95.19 N1+ ATOM 986 H LYS B 65 -18.748 -9.380 -17.116 1.00 0.00 H ATOM 987 HA LYS B 65 -19.975 -10.802 -14.827 1.00 0.00 H ATOM 988 HB2 LYS B 65 -21.368 -10.312 -16.704 1.00 0.00 H ATOM 989 HB3 LYS B 65 -20.235 -11.102 -17.826 1.00 0.00 H ATOM 990 HG2 LYS B 65 -20.876 -13.221 -17.200 1.00 0.00 H ATOM 991 HG3 LYS B 65 -21.284 -12.726 -15.540 1.00 0.00 H ATOM 992 HD2 LYS B 65 -23.404 -12.089 -16.104 1.00 0.00 H ATOM 993 HD3 LYS B 65 -22.956 -11.667 -17.774 1.00 0.00 H ATOM 994 HE2 LYS B 65 -23.046 -14.509 -16.691 1.00 0.00 H ATOM 995 HE3 LYS B 65 -24.369 -13.738 -17.598 1.00 0.00 H ATOM 996 HZ1 LYS B 65 -22.885 -14.954 -19.052 1.00 0.00 H ATOM 997 HZ2 LYS B 65 -22.822 -13.341 -19.389 1.00 0.00 H ATOM 998 HZ3 LYS B 65 -21.596 -14.055 -18.549 1.00 0.00 H ATOM 999 N LYS B 66 -17.575 -12.030 -16.674 1.00 78.57 N ATOM 1000 CA LYS B 66 -16.523 -13.043 -16.706 1.00 32.06 C ATOM 1001 C LYS B 66 -15.926 -13.008 -15.319 1.00 38.70 C ATOM 1002 O LYS B 66 -15.718 -14.050 -14.685 1.00 26.04 O ATOM 1003 CB LYS B 66 -15.457 -12.793 -17.799 1.00 42.20 C ATOM 1004 CG LYS B 66 -15.860 -13.142 -19.252 1.00 27.60 C ATOM 1005 CD LYS B 66 -17.247 -13.804 -19.377 1.00 86.59 C ATOM 1006 CE LYS B 66 -17.327 -15.260 -18.837 1.00100.00 C ATOM 1007 NZ LYS B 66 -18.693 -15.604 -18.326 1.00 72.32 N1+ ATOM 1008 H LYS B 66 -17.542 -11.241 -17.304 1.00 0.00 H ATOM 1009 HA LYS B 66 -16.955 -14.007 -16.974 1.00 0.00 H ATOM 1010 HB2 LYS B 66 -15.189 -11.737 -17.811 1.00 0.00 H ATOM 1011 HB3 LYS B 66 -14.570 -13.390 -17.586 1.00 0.00 H ATOM 1012 HG2 LYS B 66 -15.883 -12.232 -19.852 1.00 0.00 H ATOM 1013 HG3 LYS B 66 -15.134 -13.836 -19.674 1.00 0.00 H ATOM 1014 HD2 LYS B 66 -17.980 -13.222 -18.818 1.00 0.00 H ATOM 1015 HD3 LYS B 66 -17.538 -13.843 -20.427 1.00 0.00 H ATOM 1016 HE2 LYS B 66 -17.081 -15.959 -19.637 1.00 0.00 H ATOM 1017 HE3 LYS B 66 -16.620 -15.383 -18.017 1.00 0.00 H ATOM 1018 HZ1 LYS B 66 -18.696 -16.555 -17.987 1.00 0.00 H ATOM 1019 HZ2 LYS B 66 -18.939 -14.978 -17.573 1.00 0.00 H ATOM 1020 HZ3 LYS B 66 -19.366 -15.511 -19.073 1.00 0.00 H ATOM 1021 N VAL B 67 -15.737 -11.774 -14.875 1.00 28.76 N ATOM 1022 CA VAL B 67 -15.074 -11.643 -13.578 1.00 26.43 C ATOM 1023 C VAL B 67 -16.007 -12.087 -12.454 1.00 38.80 C ATOM 1024 O VAL B 67 -15.494 -12.538 -11.420 1.00 38.72 O ATOM 1025 CB VAL B 67 -14.490 -10.237 -13.444 1.00 16.67 C ATOM 1026 CG1 VAL B 67 -13.576 -9.993 -12.247 1.00 23.11 C ATOM 1027 CG2 VAL B 67 -13.656 -10.020 -14.698 1.00 23.86 C ATOM 1028 H VAL B 67 -16.046 -10.986 -15.426 1.00 0.00 H ATOM 1029 HA VAL B 67 -14.104 -12.138 -13.614 1.00 0.00 H ATOM 1030 HB VAL B 67 -15.300 -9.516 -13.330 1.00 0.00 H ATOM 1031 HG11 VAL B 67 -13.225 -8.961 -12.261 1.00 0.00 H ATOM 1032 HG12 VAL B 67 -14.128 -10.176 -11.325 1.00 0.00 H ATOM 1033 HG13 VAL B 67 -12.721 -10.667 -12.298 1.00 0.00 H ATOM 1034 HG21 VAL B 67 -13.206 -9.028 -14.668 1.00 0.00 H ATOM 1035 HG22 VAL B 67 -12.870 -10.774 -14.747 1.00 0.00 H ATOM 1036 HG23 VAL B 67 -14.294 -10.103 -15.578 1.00 0.00 H ATOM 1037 N LEU B 68 -17.308 -12.035 -12.601 1.00 43.23 N ATOM 1038 CA LEU B 68 -18.024 -12.485 -11.375 1.00 49.37 C ATOM 1039 C LEU B 68 -18.070 -13.986 -11.405 1.00 27.97 C ATOM 1040 O LEU B 68 -18.317 -14.576 -10.354 1.00 33.83 O ATOM 1041 CB LEU B 68 -19.518 -12.149 -11.297 1.00 66.31 C ATOM 1042 CG LEU B 68 -19.865 -10.740 -10.919 1.00 39.90 C ATOM 1043 CD1 LEU B 68 -21.388 -10.626 -10.727 1.00 45.10 C ATOM 1044 CD2 LEU B 68 -19.125 -10.278 -9.663 1.00 37.88 C ATOM 1045 H LEU B 68 -17.705 -11.716 -13.473 1.00 0.00 H ATOM 1046 HA LEU B 68 -17.419 -12.259 -10.497 1.00 0.00 H ATOM 1047 HB2 LEU B 68 -19.981 -12.320 -12.269 1.00 0.00 H ATOM 1048 HB3 LEU B 68 -19.995 -12.785 -10.551 1.00 0.00 H ATOM 1049 HG LEU B 68 -19.494 -10.057 -11.683 1.00 0.00 H ATOM 1050 HD11 LEU B 68 -21.644 -9.603 -10.452 1.00 0.00 H ATOM 1051 HD12 LEU B 68 -21.893 -10.889 -11.657 1.00 0.00 H ATOM 1052 HD13 LEU B 68 -21.707 -11.305 -9.936 1.00 0.00 H ATOM 1053 HD21 LEU B 68 -19.409 -9.252 -9.430 1.00 0.00 H ATOM 1054 HD22 LEU B 68 -19.388 -10.926 -8.827 1.00 0.00 H ATOM 1055 HD23 LEU B 68 -18.050 -10.326 -9.836 1.00 0.00 H ATOM 1056 N GLY B 69 -17.914 -14.442 -12.646 1.00 45.43 N ATOM 1057 CA GLY B 69 -17.909 -15.858 -13.004 1.00 46.97 C ATOM 1058 C GLY B 69 -16.960 -16.530 -12.036 1.00 33.07 C ATOM 1059 O GLY B 69 -17.388 -17.287 -11.145 1.00 24.80 O ATOM 1060 H GLY B 69 -17.789 -13.794 -13.410 1.00 0.00 H ATOM 1061 HA2 GLY B 69 -18.917 -16.261 -12.910 1.00 0.00 H ATOM 1062 HA3 GLY B 69 -17.567 -15.972 -14.033 1.00 0.00 H ATOM 1063 N ALA B 70 -15.690 -16.121 -12.213 1.00 74.61 N ATOM 1064 CA ALA B 70 -14.499 -16.641 -11.490 1.00 40.87 C ATOM 1065 C ALA B 70 -14.688 -16.534 -9.982 1.00 48.79 C ATOM 1066 O ALA B 70 -14.093 -17.329 -9.270 1.00 34.47 O ATOM 1067 CB ALA B 70 -13.228 -15.920 -11.958 1.00 21.39 C ATOM 1068 H ALA B 70 -15.481 -15.398 -12.887 1.00 0.00 H ATOM 1069 HA ALA B 70 -14.295 -17.662 -11.812 1.00 0.00 H ATOM 1070 HB1 ALA B 70 -12.367 -16.314 -11.418 1.00 0.00 H ATOM 1071 HB2 ALA B 70 -13.091 -16.082 -13.027 1.00 0.00 H ATOM 1072 HB3 ALA B 70 -13.322 -14.852 -11.762 1.00 0.00 H ATOM 1073 N PHE B 71 -15.507 -15.568 -9.534 1.00 43.64 N ATOM 1074 CA PHE B 71 -15.734 -15.346 -8.114 1.00 33.11 C ATOM 1075 C PHE B 71 -16.677 -16.410 -7.581 1.00 28.77 C ATOM 1076 O PHE B 71 -16.523 -16.824 -6.427 1.00 26.60 O ATOM 1077 CB PHE B 71 -16.306 -13.948 -7.847 1.00 50.47 C ATOM 1078 CG PHE B 71 -15.239 -12.946 -7.350 1.00 28.62 C ATOM 1079 CD1 PHE B 71 -14.618 -12.074 -8.205 1.00 36.24 C ATOM 1080 CD2 PHE B 71 -14.899 -12.931 -6.025 1.00 46.80 C ATOM 1081 CE1 PHE B 71 -13.664 -11.188 -7.741 1.00 62.77 C ATOM 1082 CE2 PHE B 71 -13.948 -12.057 -5.552 1.00 40.17 C ATOM 1083 CZ PHE B 71 -13.333 -11.183 -6.401 1.00 34.81 C ATOM 1084 H PHE B 71 -15.987 -14.969 -10.190 1.00 0.00 H ATOM 1085 HA PHE B 71 -14.780 -15.362 -7.586 1.00 0.00 H ATOM 1086 HB2 PHE B 71 -16.734 -13.548 -8.766 1.00 0.00 H ATOM 1087 HB3 PHE B 71 -17.082 -14.012 -7.084 1.00 0.00 H ATOM 1088 HD1 PHE B 71 -14.872 -12.074 -9.255 1.00 0.00 H ATOM 1089 HD2 PHE B 71 -15.379 -13.611 -5.337 1.00 0.00 H ATOM 1090 HE1 PHE B 71 -13.183 -10.505 -8.426 1.00 0.00 H ATOM 1091 HE2 PHE B 71 -13.685 -12.060 -4.505 1.00 0.00 H ATOM 1092 HZ PHE B 71 -12.592 -10.491 -6.030 1.00 0.00 H ATOM 1093 N SER B 72 -17.638 -16.760 -8.442 1.00 71.14 N ATOM 1094 CA SER B 72 -18.691 -17.757 -8.171 1.00 48.88 C ATOM 1095 C SER B 72 -17.954 -19.093 -8.092 1.00 38.72 C ATOM 1096 O SER B 72 -18.236 -19.947 -7.234 1.00 47.17 O ATOM 1097 CB SER B 72 -19.761 -17.845 -9.303 1.00 55.16 C ATOM 1098 OG SER B 72 -20.321 -16.618 -9.764 1.00 27.74 O ATOM 1099 H SER B 72 -17.678 -16.331 -9.356 1.00 0.00 H ATOM 1100 HA SER B 72 -19.167 -17.533 -7.217 1.00 0.00 H ATOM 1101 HB2 SER B 72 -19.322 -18.314 -10.183 1.00 0.00 H ATOM 1102 HB3 SER B 72 -20.607 -18.440 -8.959 1.00 0.00 H ATOM 1103 HG SER B 72 -20.962 -16.798 -10.455 1.00 0.00 H ATOM 1104 N ASP B 73 -17.015 -19.216 -9.020 1.00 36.47 N ATOM 1105 CA ASP B 73 -16.089 -20.344 -8.951 1.00 28.88 C ATOM 1106 C ASP B 73 -15.324 -20.351 -7.635 1.00 42.40 C ATOM 1107 O ASP B 73 -15.215 -21.394 -6.990 1.00 37.90 O ATOM 1108 CB ASP B 73 -15.006 -20.176 -9.987 1.00 92.64 C ATOM 1109 CG ASP B 73 -15.124 -21.221 -11.071 1.00 88.49 C ATOM 1110 OD1 ASP B 73 -14.312 -22.172 -11.000 1.00 48.20 O ATOM 1111 OD2 ASP B 73 -16.006 -21.025 -11.939 1.00 44.33 O1- ATOM 1112 H ASP B 73 -16.946 -18.535 -9.762 1.00 0.00 H ATOM 1113 HA ASP B 73 -16.653 -21.276 -8.924 1.00 0.00 H ATOM 1114 HB2 ASP B 73 -15.089 -19.190 -10.443 1.00 0.00 H ATOM 1115 HB3 ASP B 73 -14.030 -20.275 -9.512 1.00 0.00 H ATOM 1116 N GLY B 74 -14.782 -19.220 -7.245 1.00 45.53 N ATOM 1117 CA GLY B 74 -13.959 -19.360 -6.040 1.00 46.10 C ATOM 1118 C GLY B 74 -14.804 -19.497 -4.780 1.00 53.13 C ATOM 1119 O GLY B 74 -14.426 -20.319 -3.944 1.00 32.91 O ATOM 1120 H GLY B 74 -14.953 -18.372 -7.766 1.00 0.00 H ATOM 1121 HA2 GLY B 74 -13.334 -20.249 -6.127 1.00 0.00 H ATOM 1122 HA3 GLY B 74 -13.325 -18.481 -5.928 1.00 0.00 H ATOM 1123 N LEU B 75 -15.909 -18.706 -4.714 1.00 34.80 N ATOM 1124 CA LEU B 75 -16.768 -18.495 -3.517 1.00 57.21 C ATOM 1125 C LEU B 75 -17.296 -19.810 -2.960 1.00 84.31 C ATOM 1126 O LEU B 75 -17.651 -19.896 -1.772 1.00 78.59 O ATOM 1127 CB LEU B 75 -17.952 -17.554 -3.850 1.00 26.11 C ATOM 1128 CG LEU B 75 -18.661 -16.962 -2.619 1.00 30.97 C ATOM 1129 CD1 LEU B 75 -17.721 -16.166 -1.756 1.00 36.39 C ATOM 1130 CD2 LEU B 75 -19.847 -16.043 -2.971 1.00 20.63 C ATOM 1131 H LEU B 75 -16.213 -18.194 -5.530 1.00 0.00 H ATOM 1132 HA LEU B 75 -16.204 -17.957 -2.755 1.00 0.00 H ATOM 1133 HB2 LEU B 75 -17.593 -16.713 -4.444 1.00 0.00 H ATOM 1134 HB3 LEU B 75 -18.705 -18.103 -4.416 1.00 0.00 H ATOM 1135 HG LEU B 75 -19.103 -17.767 -2.031 1.00 0.00 H ATOM 1136 HD11 LEU B 75 -18.264 -15.767 -0.899 1.00 0.00 H ATOM 1137 HD12 LEU B 75 -16.914 -16.810 -1.407 1.00 0.00 H ATOM 1138 HD13 LEU B 75 -17.303 -15.343 -2.336 1.00 0.00 H ATOM 1139 HD21 LEU B 75 -20.297 -15.663 -2.054 1.00 0.00 H ATOM 1140 HD22 LEU B 75 -19.493 -15.207 -3.575 1.00 0.00 H ATOM 1141 HD23 LEU B 75 -20.591 -16.608 -3.533 1.00 0.00 H ATOM 1142 N ALA B 76 -17.348 -20.772 -3.855 1.00 52.27 N ATOM 1143 CA ALA B 76 -17.850 -22.114 -3.523 1.00 96.01 C ATOM 1144 C ALA B 76 -16.955 -23.187 -4.152 1.00 56.91 C ATOM 1145 O ALA B 76 -17.426 -24.065 -4.893 1.00 33.05 O ATOM 1146 CB ALA B 76 -19.312 -22.280 -3.951 1.00 98.30 C ATOM 1147 H ALA B 76 -17.038 -20.599 -4.801 1.00 0.00 H ATOM 1148 HA ALA B 76 -17.925 -22.217 -2.440 1.00 0.00 H ATOM 1149 HB1 ALA B 76 -19.655 -23.282 -3.693 1.00 0.00 H ATOM 1150 HB2 ALA B 76 -19.928 -21.542 -3.437 1.00 0.00 H ATOM 1151 HB3 ALA B 76 -19.395 -22.135 -5.028 1.00 0.00 H ATOM 1152 N HIS B 77 -15.693 -23.020 -3.730 1.00 49.72 N ATOM 1153 CA HIS B 77 -14.453 -23.745 -3.980 1.00 40.08 C ATOM 1154 C HIS B 77 -13.376 -23.220 -3.052 1.00 30.40 C ATOM 1155 O HIS B 77 -12.182 -23.091 -3.383 1.00 24.75 O ATOM 1156 CB HIS B 77 -14.009 -23.418 -5.390 1.00 93.14 C ATOM 1157 CG HIS B 77 -14.164 -24.538 -6.428 1.00 37.87 C ATOM 1158 ND1 HIS B 77 -13.699 -25.837 -6.178 1.00 55.87 N ATOM 1159 CD2 HIS B 77 -14.736 -24.488 -7.684 1.00 61.68 C ATOM 1160 CE1 HIS B 77 -13.989 -26.616 -7.304 1.00 88.18 C ATOM 1161 NE2 HIS B 77 -14.630 -25.782 -8.241 1.00 95.95 N ATOM 1162 H HIS B 77 -15.465 -22.258 -3.107 1.00 0.00 H ATOM 1163 HA HIS B 77 -14.586 -24.794 -3.717 1.00 0.00 H ATOM 1164 HB2 HIS B 77 -14.589 -22.576 -5.768 1.00 0.00 H ATOM 1165 HB3 HIS B 77 -12.951 -23.157 -5.387 1.00 0.00 H ATOM 1166 HD1 HIS B 77 -13.249 -26.052 -5.300 1.00 0.00 H ATOM 1167 HD2 HIS B 77 -15.152 -23.562 -8.051 1.00 0.00 H ATOM 1168 HE1 HIS B 77 -13.716 -27.661 -7.323 1.00 0.00 H ATOM 1169 N LEU B 78 -13.816 -22.862 -1.875 1.00 73.85 N ATOM 1170 CA LEU B 78 -12.905 -22.109 -0.999 1.00 54.86 C ATOM 1171 C LEU B 78 -11.809 -23.001 -0.475 1.00 29.47 C ATOM 1172 O LEU B 78 -10.939 -22.525 0.245 1.00 64.00 O ATOM 1173 CB LEU B 78 -13.683 -21.540 0.184 1.00 57.51 C ATOM 1174 CG LEU B 78 -14.564 -20.338 -0.193 1.00 60.24 C ATOM 1175 CD1 LEU B 78 -15.671 -20.072 0.845 1.00 36.09 C ATOM 1176 CD2 LEU B 78 -13.688 -19.098 -0.435 1.00 44.45 C ATOM 1177 H LEU B 78 -14.755 -23.103 -1.592 1.00 0.00 H ATOM 1178 HA LEU B 78 -12.455 -21.290 -1.560 1.00 0.00 H ATOM 1179 HB2 LEU B 78 -14.336 -22.310 0.595 1.00 0.00 H ATOM 1180 HB3 LEU B 78 -12.985 -21.208 0.953 1.00 0.00 H ATOM 1181 HG LEU B 78 -14.962 -20.479 -1.198 1.00 0.00 H ATOM 1182 HD11 LEU B 78 -16.265 -19.213 0.532 1.00 0.00 H ATOM 1183 HD12 LEU B 78 -16.314 -20.948 0.924 1.00 0.00 H ATOM 1184 HD13 LEU B 78 -15.218 -19.866 1.815 1.00 0.00 H ATOM 1185 HD21 LEU B 78 -14.321 -18.252 -0.701 1.00 0.00 H ATOM 1186 HD22 LEU B 78 -13.131 -18.863 0.472 1.00 0.00 H ATOM 1187 HD23 LEU B 78 -12.990 -19.299 -1.248 1.00 0.00 H ATOM 1188 N ASP B 79 -11.846 -24.260 -0.814 1.00 48.91 N ATOM 1189 CA ASP B 79 -10.943 -25.201 -0.110 1.00 86.28 C ATOM 1190 C ASP B 79 -9.588 -25.219 -0.817 1.00 67.52 C ATOM 1191 O ASP B 79 -8.518 -25.406 -0.234 1.00 51.20 O ATOM 1192 CB ASP B 79 -11.571 -26.606 -0.089 1.00 54.80 C ATOM 1193 CG ASP B 79 -10.834 -27.540 0.877 1.00 95.26 C ATOM 1194 OD1 ASP B 79 -11.222 -28.718 0.961 1.00 85.53 O ATOM 1195 OD2 ASP B 79 -9.899 -27.096 1.564 1.00 74.30 O1- ATOM 1196 H ASP B 79 -12.478 -24.570 -1.538 1.00 0.00 H ATOM 1197 HA ASP B 79 -10.838 -24.894 0.931 1.00 0.00 H ATOM 1198 HB2 ASP B 79 -12.611 -26.535 0.229 1.00 0.00 H ATOM 1199 HB3 ASP B 79 -11.526 -27.040 -1.088 1.00 0.00 H ATOM 1200 N ASN B 80 -9.644 -25.036 -2.087 1.00 58.40 N ATOM 1201 CA ASN B 80 -8.429 -24.743 -2.804 1.00 64.08 C ATOM 1202 C ASN B 80 -8.795 -23.551 -3.647 1.00 47.21 C ATOM 1203 O ASN B 80 -9.194 -23.719 -4.807 1.00 55.78 O ATOM 1204 CB ASN B 80 -7.920 -25.917 -3.647 1.00 65.02 C ATOM 1205 CG ASN B 80 -6.414 -25.791 -3.976 1.00100.00 C ATOM 1206 OD1 ASN B 80 -5.644 -25.029 -3.371 1.00 63.53 O ATOM 1207 ND2 ASN B 80 -5.994 -26.598 -4.941 1.00 95.88 N ATOM 1208 H ASN B 80 -10.530 -25.098 -2.568 1.00 0.00 H ATOM 1209 HA ASN B 80 -7.624 -24.554 -2.094 1.00 0.00 H ATOM 1210 HB2 ASN B 80 -8.070 -26.849 -3.101 1.00 0.00 H ATOM 1211 HB3 ASN B 80 -8.470 -25.955 -4.588 1.00 0.00 H ATOM 1212 HD22 ASN B 80 -5.024 -26.585 -5.224 1.00 0.00 H ATOM 1213 HD21 ASN B 80 -6.644 -27.225 -5.393 1.00 0.00 H ATOM 1214 N LEU B 81 -8.720 -22.401 -2.960 1.00 52.23 N ATOM 1215 CA LEU B 81 -8.839 -21.113 -3.671 1.00 57.21 C ATOM 1216 C LEU B 81 -7.781 -21.041 -4.793 1.00 66.26 C ATOM 1217 O LEU B 81 -7.979 -20.381 -5.821 1.00 37.96 O ATOM 1218 CB LEU B 81 -8.634 -20.008 -2.646 1.00 26.07 C ATOM 1219 CG LEU B 81 -9.846 -19.101 -2.560 1.00 48.39 C ATOM 1220 CD1 LEU B 81 -11.089 -19.729 -3.222 1.00 49.65 C ATOM 1221 CD2 LEU B 81 -10.088 -18.707 -1.103 1.00 36.64 C ATOM 1222 H LEU B 81 -8.583 -22.418 -1.960 1.00 0.00 H ATOM 1223 HA LEU B 81 -9.841 -21.020 -4.091 1.00 0.00 H ATOM 1224 HB2 LEU B 81 -8.463 -20.450 -1.664 1.00 0.00 H ATOM 1225 HB3 LEU B 81 -7.771 -19.405 -2.928 1.00 0.00 H ATOM 1226 HG LEU B 81 -9.598 -18.122 -2.971 1.00 0.00 H ATOM 1227 HD11 LEU B 81 -11.932 -19.044 -3.136 1.00 0.00 H ATOM 1228 HD12 LEU B 81 -10.883 -19.920 -4.275 1.00 0.00 H ATOM 1229 HD13 LEU B 81 -11.332 -20.667 -2.723 1.00 0.00 H ATOM 1230 HD21 LEU B 81 -10.959 -18.055 -1.042 1.00 0.00 H ATOM 1231 HD22 LEU B 81 -10.263 -19.603 -0.508 1.00 0.00 H ATOM 1232 HD23 LEU B 81 -9.214 -18.181 -0.718 1.00 0.00 H ATOM 1233 N LYS B 82 -6.705 -21.806 -4.570 1.00 46.57 N ATOM 1234 CA LYS B 82 -5.355 -21.671 -5.188 1.00 95.20 C ATOM 1235 C LYS B 82 -5.268 -22.499 -6.462 1.00 34.07 C ATOM 1236 O LYS B 82 -4.703 -22.117 -7.496 1.00 26.38 O ATOM 1237 CB LYS B 82 -4.289 -22.194 -4.200 1.00 32.41 C ATOM 1238 CG LYS B 82 -4.226 -21.476 -2.823 1.00 80.80 C ATOM 1239 CD LYS B 82 -5.087 -22.004 -1.652 1.00 90.70 C ATOM 1240 CE LYS B 82 -4.954 -21.142 -0.359 1.00 37.61 C ATOM 1241 NZ LYS B 82 -5.299 -21.960 0.810 1.00 41.12 N1+ ATOM 1242 H LYS B 82 -6.759 -22.576 -3.918 1.00 0.00 H ATOM 1243 HA LYS B 82 -5.178 -20.628 -5.451 1.00 0.00 H ATOM 1244 HB2 LYS B 82 -4.478 -23.246 -3.984 1.00 0.00 H ATOM 1245 HB3 LYS B 82 -3.299 -22.086 -4.643 1.00 0.00 H ATOM 1246 HG2 LYS B 82 -3.205 -21.508 -2.442 1.00 0.00 H ATOM 1247 HG3 LYS B 82 -4.537 -20.438 -2.939 1.00 0.00 H ATOM 1248 HD2 LYS B 82 -6.137 -22.003 -1.943 1.00 0.00 H ATOM 1249 HD3 LYS B 82 -4.780 -23.020 -1.404 1.00 0.00 H ATOM 1250 HE2 LYS B 82 -3.928 -20.785 -0.263 1.00 0.00 H ATOM 1251 HE3 LYS B 82 -5.631 -20.290 -0.419 1.00 0.00 H ATOM 1252 HZ1 LYS B 82 -5.213 -21.403 1.648 1.00 0.00 H ATOM 1253 HZ2 LYS B 82 -6.249 -22.291 0.722 1.00 0.00 H ATOM 1254 HZ3 LYS B 82 -4.672 -22.750 0.866 1.00 0.00 H ATOM 1255 N GLY B 83 -5.859 -23.661 -6.308 1.00 66.32 N ATOM 1256 CA GLY B 83 -6.027 -24.557 -7.438 1.00 37.32 C ATOM 1257 C GLY B 83 -6.908 -23.868 -8.462 1.00 41.94 C ATOM 1258 O GLY B 83 -6.548 -23.752 -9.644 1.00 51.96 O ATOM 1259 H GLY B 83 -6.201 -23.937 -5.399 1.00 0.00 H ATOM 1260 HA2 GLY B 83 -5.053 -24.781 -7.873 1.00 0.00 H ATOM 1261 HA3 GLY B 83 -6.496 -25.482 -7.102 1.00 0.00 H ATOM 1262 N THR B 84 -8.031 -23.412 -7.939 1.00 43.67 N ATOM 1263 CA THR B 84 -9.061 -22.883 -8.860 1.00 55.72 C ATOM 1264 C THR B 84 -8.492 -21.728 -9.709 1.00 57.23 C ATOM 1265 O THR B 84 -8.808 -21.565 -10.895 1.00 47.17 O ATOM 1266 CB THR B 84 -10.336 -22.479 -8.060 1.00 44.55 C ATOM 1267 OG1 THR B 84 -10.797 -23.596 -7.375 1.00 39.00 O ATOM 1268 CG2 THR B 84 -11.520 -22.063 -8.917 1.00 71.23 C ATOM 1269 H THR B 84 -8.166 -23.431 -6.938 1.00 0.00 H ATOM 1270 HA THR B 84 -9.467 -23.698 -9.459 1.00 0.00 H ATOM 1271 HB THR B 84 -10.071 -21.742 -7.301 1.00 0.00 H ATOM 1272 HG1 THR B 84 -11.584 -23.364 -6.876 1.00 0.00 H ATOM 1273 HG21 THR B 84 -12.360 -21.800 -8.274 1.00 0.00 H ATOM 1274 HG22 THR B 84 -11.244 -21.201 -9.525 1.00 0.00 H ATOM 1275 HG23 THR B 84 -11.806 -22.889 -9.568 1.00 0.00 H ATOM 1276 N PHE B 85 -7.606 -20.962 -9.121 1.00 37.46 N ATOM 1277 CA PHE B 85 -7.285 -19.707 -9.774 1.00 33.88 C ATOM 1278 C PHE B 85 -5.984 -19.673 -10.578 1.00 19.51 C ATOM 1279 O PHE B 85 -5.639 -18.611 -11.107 1.00 23.34 O ATOM 1280 CB PHE B 85 -7.259 -18.654 -8.644 1.00 34.54 C ATOM 1281 CG PHE B 85 -8.620 -17.924 -8.489 1.00 50.21 C ATOM 1282 CD1 PHE B 85 -9.361 -17.994 -7.320 1.00 32.06 C ATOM 1283 CD2 PHE B 85 -9.107 -17.200 -9.568 1.00 69.80 C ATOM 1284 CE1 PHE B 85 -10.585 -17.323 -7.230 1.00 50.13 C ATOM 1285 CE2 PHE B 85 -10.327 -16.521 -9.501 1.00 39.77 C ATOM 1286 CZ PHE B 85 -11.065 -16.586 -8.326 1.00 46.36 C ATOM 1287 H PHE B 85 -7.181 -21.256 -8.253 1.00 0.00 H ATOM 1288 HA PHE B 85 -8.103 -19.421 -10.436 1.00 0.00 H ATOM 1289 HB2 PHE B 85 -7.028 -19.142 -7.697 1.00 0.00 H ATOM 1290 HB3 PHE B 85 -6.497 -17.905 -8.862 1.00 0.00 H ATOM 1291 HD1 PHE B 85 -8.993 -18.566 -6.481 1.00 0.00 H ATOM 1292 HD2 PHE B 85 -8.540 -17.152 -10.486 1.00 0.00 H ATOM 1293 HE1 PHE B 85 -11.161 -17.371 -6.318 1.00 0.00 H ATOM 1294 HE2 PHE B 85 -10.680 -15.959 -10.353 1.00 0.00 H ATOM 1295 HZ PHE B 85 -12.010 -16.068 -8.256 1.00 0.00 H ATOM 1296 N ALA B 86 -5.289 -20.794 -10.673 1.00 53.27 N ATOM 1297 CA ALA B 86 -3.887 -20.836 -11.183 1.00 22.22 C ATOM 1298 C ALA B 86 -3.686 -20.328 -12.597 1.00 15.61 C ATOM 1299 O ALA B 86 -2.721 -19.678 -12.990 1.00 48.03 O ATOM 1300 CB ALA B 86 -3.483 -22.281 -11.169 1.00 34.81 C ATOM 1301 H ALA B 86 -5.705 -21.671 -10.394 1.00 0.00 H ATOM 1302 HA ALA B 86 -3.254 -20.205 -10.559 1.00 0.00 H ATOM 1303 HB1 ALA B 86 -2.460 -22.376 -11.534 1.00 0.00 H ATOM 1304 HB2 ALA B 86 -3.542 -22.666 -10.151 1.00 0.00 H ATOM 1305 HB3 ALA B 86 -4.152 -22.852 -11.812 1.00 0.00 H ATOM 1306 N THR B 87 -4.623 -20.705 -13.365 1.00 42.40 N ATOM 1307 CA THR B 87 -4.601 -20.399 -14.796 1.00 39.00 C ATOM 1308 C THR B 87 -4.748 -18.894 -15.014 1.00 21.79 C ATOM 1309 O THR B 87 -4.149 -18.299 -15.915 1.00 35.24 O ATOM 1310 CB THR B 87 -5.853 -21.102 -15.345 1.00 70.21 C ATOM 1311 OG1 THR B 87 -6.107 -22.345 -14.617 1.00 42.76 O ATOM 1312 CG2 THR B 87 -5.777 -21.253 -16.869 1.00 63.46 C ATOM 1313 H THR B 87 -5.403 -21.227 -12.992 1.00 0.00 H ATOM 1314 HA THR B 87 -3.631 -20.672 -15.212 1.00 0.00 H ATOM 1315 HB THR B 87 -6.682 -20.395 -15.378 1.00 0.00 H ATOM 1316 HG1 THR B 87 -6.891 -22.770 -14.972 1.00 0.00 H ATOM 1317 HG21 THR B 87 -6.675 -21.753 -17.230 1.00 0.00 H ATOM 1318 HG22 THR B 87 -5.701 -20.268 -17.329 1.00 0.00 H ATOM 1319 HG23 THR B 87 -4.901 -21.845 -17.133 1.00 0.00 H ATOM 1320 N LEU B 88 -5.587 -18.335 -14.157 1.00 71.19 N ATOM 1321 CA LEU B 88 -6.009 -16.932 -14.130 1.00 32.29 C ATOM 1322 C LEU B 88 -4.868 -16.085 -13.556 1.00 28.34 C ATOM 1323 O LEU B 88 -4.555 -15.010 -14.038 1.00 59.20 O ATOM 1324 CB LEU B 88 -7.243 -16.866 -13.218 1.00 33.11 C ATOM 1325 CG LEU B 88 -8.545 -16.976 -13.993 1.00 45.18 C ATOM 1326 CD1 LEU B 88 -9.761 -17.183 -13.086 1.00 63.65 C ATOM 1327 CD2 LEU B 88 -8.750 -15.790 -14.952 1.00 48.17 C ATOM 1328 H LEU B 88 -6.008 -18.891 -13.426 1.00 0.00 H ATOM 1329 HA LEU B 88 -6.227 -16.598 -15.144 1.00 0.00 H ATOM 1330 HB2 LEU B 88 -7.209 -17.686 -12.500 1.00 0.00 H ATOM 1331 HB3 LEU B 88 -7.250 -15.916 -12.683 1.00 0.00 H ATOM 1332 HG LEU B 88 -8.448 -17.744 -14.761 1.00 0.00 H ATOM 1333 HD11 LEU B 88 -10.662 -17.254 -13.696 1.00 0.00 H ATOM 1334 HD12 LEU B 88 -9.636 -18.103 -12.514 1.00 0.00 H ATOM 1335 HD13 LEU B 88 -9.852 -16.340 -12.401 1.00 0.00 H ATOM 1336 HD21 LEU B 88 -9.693 -15.911 -15.484 1.00 0.00 H ATOM 1337 HD22 LEU B 88 -8.772 -14.861 -14.382 1.00 0.00 H ATOM 1338 HD23 LEU B 88 -7.930 -15.756 -15.669 1.00 0.00 H ATOM 1339 N SER B 89 -4.302 -16.581 -12.493 1.00 35.75 N ATOM 1340 CA SER B 89 -3.109 -15.989 -11.912 1.00 23.49 C ATOM 1341 C SER B 89 -2.050 -15.904 -13.016 1.00 15.22 C ATOM 1342 O SER B 89 -1.422 -14.882 -13.145 1.00 23.94 O ATOM 1343 CB SER B 89 -2.731 -16.935 -10.736 1.00 34.19 C ATOM 1344 OG SER B 89 -1.357 -16.884 -10.326 1.00 37.45 O ATOM 1345 H SER B 89 -4.692 -17.400 -12.049 1.00 0.00 H ATOM 1346 HA SER B 89 -3.352 -15.008 -11.503 1.00 0.00 H ATOM 1347 HB2 SER B 89 -3.325 -16.680 -9.858 1.00 0.00 H ATOM 1348 HB3 SER B 89 -2.930 -17.968 -11.021 1.00 0.00 H ATOM 1349 HG SER B 89 -1.216 -17.496 -9.600 1.00 0.00 H ATOM 1350 N GLU B 90 -1.900 -16.929 -13.826 1.00 38.73 N ATOM 1351 CA GLU B 90 -0.825 -17.028 -14.777 1.00 16.22 C ATOM 1352 C GLU B 90 -1.071 -15.945 -15.825 1.00 35.59 C ATOM 1353 O GLU B 90 -0.137 -15.224 -16.248 1.00 32.00 O ATOM 1354 CB GLU B 90 -0.873 -18.440 -15.421 1.00 38.88 C ATOM 1355 CG GLU B 90 0.441 -18.889 -16.101 1.00100.00 C ATOM 1356 CD GLU B 90 0.517 -20.408 -16.412 1.00100.00 C ATOM 1357 OE1 GLU B 90 0.674 -20.752 -17.604 1.00 70.85 O ATOM 1358 OE2 GLU B 90 0.464 -21.226 -15.470 1.00 54.94 O1- ATOM 1359 H GLU B 90 -2.558 -17.695 -13.798 1.00 0.00 H ATOM 1360 HA GLU B 90 0.125 -16.855 -14.271 1.00 0.00 H ATOM 1361 HB2 GLU B 90 -1.099 -19.182 -14.655 1.00 0.00 H ATOM 1362 HB3 GLU B 90 -1.647 -18.464 -16.188 1.00 0.00 H ATOM 1363 HG2 GLU B 90 0.557 -18.365 -17.050 1.00 0.00 H ATOM 1364 HG3 GLU B 90 1.285 -18.656 -15.452 1.00 0.00 H ATOM 1365 N LEU B 91 -2.365 -15.853 -16.171 1.00 21.41 N ATOM 1366 CA LEU B 91 -2.802 -14.849 -17.151 1.00 49.08 C ATOM 1367 C LEU B 91 -2.572 -13.411 -16.618 1.00 46.65 C ATOM 1368 O LEU B 91 -2.209 -12.442 -17.302 1.00 35.90 O ATOM 1369 CB LEU B 91 -4.290 -15.146 -17.379 1.00 35.45 C ATOM 1370 CG LEU B 91 -5.041 -13.913 -17.901 1.00 43.38 C ATOM 1371 CD1 LEU B 91 -4.610 -13.540 -19.321 1.00 33.12 C ATOM 1372 CD2 LEU B 91 -6.560 -13.959 -17.767 1.00 35.44 C ATOM 1373 H LEU B 91 -3.044 -16.476 -15.757 1.00 0.00 H ATOM 1374 HA LEU B 91 -2.251 -14.985 -18.082 1.00 0.00 H ATOM 1375 HB2 LEU B 91 -4.393 -15.946 -18.112 1.00 0.00 H ATOM 1376 HB3 LEU B 91 -4.748 -15.454 -16.439 1.00 0.00 H ATOM 1377 HG LEU B 91 -4.979 -13.111 -17.166 1.00 0.00 H ATOM 1378 HD11 LEU B 91 -5.166 -12.663 -19.651 1.00 0.00 H ATOM 1379 HD12 LEU B 91 -3.543 -13.318 -19.331 1.00 0.00 H ATOM 1380 HD13 LEU B 91 -4.814 -14.373 -19.994 1.00 0.00 H ATOM 1381 HD21 LEU B 91 -6.988 -13.040 -18.166 1.00 0.00 H ATOM 1382 HD22 LEU B 91 -6.949 -14.812 -18.324 1.00 0.00 H ATOM 1383 HD23 LEU B 91 -6.830 -14.059 -16.716 1.00 0.00 H ATOM 1384 N HIS B 92 -2.768 -13.214 -15.363 1.00 52.64 N ATOM 1385 CA HIS B 92 -2.706 -11.803 -15.014 1.00 56.64 C ATOM 1386 C HIS B 92 -1.315 -11.475 -14.502 1.00 31.62 C ATOM 1387 O HIS B 92 -0.932 -10.309 -14.458 1.00 48.20 O ATOM 1388 CB HIS B 92 -3.678 -11.499 -13.891 1.00 74.94 C ATOM 1389 CG HIS B 92 -5.202 -11.553 -14.138 1.00 32.79 C ATOM 1390 ND1 HIS B 92 -5.948 -12.708 -14.149 1.00 30.87 N ATOM 1391 CD2 HIS B 92 -6.065 -10.531 -14.385 1.00 24.82 C ATOM 1392 CE1 HIS B 92 -7.242 -12.366 -14.362 1.00 30.80 C ATOM 1393 NE2 HIS B 92 -7.361 -11.027 -14.513 1.00 17.53 N ATOM 1394 H HIS B 92 -2.939 -13.998 -14.750 1.00 0.00 H ATOM 1395 HA HIS B 92 -2.877 -11.200 -15.906 1.00 0.00 H ATOM 1396 HB2 HIS B 92 -3.523 -12.205 -13.075 1.00 0.00 H ATOM 1397 HB3 HIS B 92 -3.511 -10.484 -13.530 1.00 0.00 H ATOM 1398 HD1 HIS B 92 -5.498 -13.601 -14.011 1.00 0.00 H ATOM 1399 HD2 HIS B 92 -5.697 -9.518 -14.453 1.00 0.00 H ATOM 1400 HE1 HIS B 92 -8.005 -13.130 -14.391 1.00 0.00 H ATOM 1401 N CYS B 93 -0.613 -12.520 -14.130 1.00 44.69 N ATOM 1402 CA CYS B 93 0.653 -12.328 -13.473 1.00 90.38 C ATOM 1403 C CYS B 93 1.737 -12.219 -14.517 1.00 30.50 C ATOM 1404 O CYS B 93 2.248 -11.109 -14.765 1.00 22.67 O ATOM 1405 CB CYS B 93 0.891 -13.439 -12.439 1.00 44.55 C ATOM 1406 SG CYS B 93 -0.245 -13.200 -10.986 1.00 66.11 S ATOM 1407 H CYS B 93 -0.962 -13.451 -14.305 1.00 0.00 H ATOM 1408 HA CYS B 93 0.588 -11.473 -12.800 1.00 0.00 H ATOM 1409 HB2 CYS B 93 0.693 -14.409 -12.895 1.00 0.00 H ATOM 1410 HB3 CYS B 93 1.925 -13.403 -12.097 1.00 0.00 H ATOM 1411 HG CYS B 93 -0.034 -14.169 -10.091 1.00 0.00 H ATOM 1412 N ASP B 94 2.032 -13.358 -15.121 1.00 55.81 N ATOM 1413 CA ASP B 94 3.122 -13.315 -16.105 1.00 72.08 C ATOM 1414 C ASP B 94 2.548 -13.218 -17.489 1.00 18.44 C ATOM 1415 O ASP B 94 3.153 -13.855 -18.342 1.00 82.80 O ATOM 1416 CB ASP B 94 4.039 -14.555 -16.189 1.00 79.27 C ATOM 1417 CG ASP B 94 3.672 -15.668 -15.204 1.00 63.27 C ATOM 1418 OD1 ASP B 94 2.953 -16.583 -15.608 1.00 43.53 O ATOM 1419 OD2 ASP B 94 4.153 -15.619 -14.064 1.00 46.78 O1- ATOM 1420 H ASP B 94 1.517 -14.197 -14.896 1.00 0.00 H ATOM 1421 HA ASP B 94 3.720 -12.418 -15.946 1.00 0.00 H ATOM 1422 HB2 ASP B 94 3.984 -14.981 -17.191 1.00 0.00 H ATOM 1423 HB3 ASP B 94 5.067 -14.262 -15.975 1.00 0.00 H ATOM 1424 N LYS B 95 1.487 -12.450 -17.662 1.00 40.54 N ATOM 1425 CA LYS B 95 0.829 -12.297 -18.969 1.00 21.79 C ATOM 1426 C LYS B 95 0.158 -10.958 -19.180 1.00 13.75 C ATOM 1427 O LYS B 95 0.199 -10.416 -20.279 1.00 43.02 O ATOM 1428 CB LYS B 95 -0.165 -13.428 -19.146 1.00 67.63 C ATOM 1429 CG LYS B 95 0.579 -14.660 -19.681 1.00100.00 C ATOM 1430 CD LYS B 95 1.313 -14.246 -20.965 1.00 96.05 C ATOM 1431 CE LYS B 95 2.122 -15.353 -21.607 1.00 65.93 C ATOM 1432 NZ LYS B 95 1.960 -15.182 -23.058 1.00 58.08 N1+ ATOM 1433 H LYS B 95 1.099 -11.941 -16.880 1.00 0.00 H ATOM 1434 HA LYS B 95 1.551 -12.485 -19.764 1.00 0.00 H ATOM 1435 HB2 LYS B 95 -0.625 -13.662 -18.186 1.00 0.00 H ATOM 1436 HB3 LYS B 95 -0.937 -13.126 -19.854 1.00 0.00 H ATOM 1437 HG2 LYS B 95 1.292 -15.007 -18.934 1.00 0.00 H ATOM 1438 HG3 LYS B 95 -0.137 -15.453 -19.895 1.00 0.00 H ATOM 1439 HD2 LYS B 95 0.588 -13.911 -21.707 1.00 0.00 H ATOM 1440 HD3 LYS B 95 2.006 -13.434 -20.743 1.00 0.00 H ATOM 1441 HE2 LYS B 95 3.167 -15.257 -21.313 1.00 0.00 H ATOM 1442 HE3 LYS B 95 1.740 -16.320 -21.279 1.00 0.00 H ATOM 1443 HZ1 LYS B 95 2.482 -15.898 -23.542 1.00 0.00 H ATOM 1444 HZ2 LYS B 95 0.982 -15.257 -23.299 1.00 0.00 H ATOM 1445 HZ3 LYS B 95 2.305 -14.273 -23.331 1.00 0.00 H ATOM 1446 N LEU B 96 -0.444 -10.434 -18.164 1.00 27.22 N ATOM 1447 CA LEU B 96 -0.790 -9.032 -18.282 1.00 28.99 C ATOM 1448 C LEU B 96 0.001 -8.211 -17.246 1.00 65.40 C ATOM 1449 O LEU B 96 -0.085 -6.978 -17.249 1.00 40.47 O ATOM 1450 CB LEU B 96 -2.224 -8.937 -17.886 1.00 39.35 C ATOM 1451 CG LEU B 96 -3.157 -9.858 -18.611 1.00 15.40 C ATOM 1452 CD1 LEU B 96 -4.399 -9.982 -17.753 1.00 48.24 C ATOM 1453 CD2 LEU B 96 -3.502 -9.245 -19.963 1.00 43.58 C ATOM 1454 H LEU B 96 -0.646 -10.998 -17.351 1.00 0.00 H ATOM 1455 HA LEU B 96 -0.453 -8.654 -19.247 1.00 0.00 H ATOM 1456 HB2 LEU B 96 -2.325 -9.170 -16.826 1.00 0.00 H ATOM 1457 HB3 LEU B 96 -2.586 -7.926 -18.071 1.00 0.00 H ATOM 1458 HG LEU B 96 -2.685 -10.833 -18.732 1.00 0.00 H ATOM 1459 HD11 LEU B 96 -5.113 -10.646 -18.240 1.00 0.00 H ATOM 1460 HD12 LEU B 96 -4.129 -10.391 -16.779 1.00 0.00 H ATOM 1461 HD13 LEU B 96 -4.850 -8.998 -17.621 1.00 0.00 H ATOM 1462 HD21 LEU B 96 -4.181 -9.907 -20.500 1.00 0.00 H ATOM 1463 HD22 LEU B 96 -3.982 -8.278 -19.812 1.00 0.00 H ATOM 1464 HD23 LEU B 96 -2.590 -9.111 -20.545 1.00 0.00 H ATOM 1465 N HIS B 97 0.725 -8.874 -16.329 1.00 48.61 N ATOM 1466 CA HIS B 97 1.559 -8.132 -15.329 1.00 61.77 C ATOM 1467 C HIS B 97 0.748 -7.145 -14.483 1.00 42.78 C ATOM 1468 O HIS B 97 1.077 -5.942 -14.417 1.00 28.37 O ATOM 1469 CB HIS B 97 2.613 -7.353 -16.111 1.00 39.58 C ATOM 1470 CG HIS B 97 3.469 -8.308 -16.936 1.00 43.12 C ATOM 1471 ND1 HIS B 97 4.354 -9.220 -16.318 1.00 53.50 N ATOM 1472 CD2 HIS B 97 3.535 -8.450 -18.302 1.00 33.15 C ATOM 1473 CE1 HIS B 97 4.983 -9.955 -17.304 1.00 69.38 C ATOM 1474 NE2 HIS B 97 4.474 -9.478 -18.531 1.00 95.49 N ATOM 1475 H HIS B 97 0.711 -9.884 -16.308 1.00 0.00 H ATOM 1476 HA HIS B 97 2.024 -8.842 -14.645 1.00 0.00 H ATOM 1477 HB2 HIS B 97 2.121 -6.646 -16.780 1.00 0.00 H ATOM 1478 HB3 HIS B 97 3.254 -6.810 -15.416 1.00 0.00 H ATOM 1479 HD1 HIS B 97 4.433 -9.244 -15.311 1.00 0.00 H ATOM 1480 HD2 HIS B 97 2.927 -7.825 -18.940 1.00 0.00 H ATOM 1481 HE1 HIS B 97 5.702 -10.714 -17.035 1.00 0.00 H ATOM 1482 N VAL B 98 -0.344 -7.660 -13.922 1.00 29.91 N ATOM 1483 CA VAL B 98 -1.183 -6.749 -13.160 1.00 28.21 C ATOM 1484 C VAL B 98 -0.684 -6.914 -11.732 1.00 31.40 C ATOM 1485 O VAL B 98 -0.712 -8.014 -11.187 1.00 38.40 O ATOM 1486 CB VAL B 98 -2.703 -6.996 -13.262 1.00 34.57 C ATOM 1487 CG1 VAL B 98 -3.494 -6.193 -12.190 1.00 12.90 C ATOM 1488 CG2 VAL B 98 -3.274 -6.792 -14.682 1.00 27.95 C ATOM 1489 H VAL B 98 -0.556 -8.641 -14.036 1.00 0.00 H ATOM 1490 HA VAL B 98 -1.080 -5.740 -13.559 1.00 0.00 H ATOM 1491 HB VAL B 98 -2.898 -8.068 -13.266 1.00 0.00 H ATOM 1492 HG11 VAL B 98 -4.560 -6.395 -12.297 1.00 0.00 H ATOM 1493 HG12 VAL B 98 -3.166 -6.493 -11.195 1.00 0.00 H ATOM 1494 HG13 VAL B 98 -3.312 -5.127 -12.326 1.00 0.00 H ATOM 1495 HG21 VAL B 98 -4.347 -6.984 -14.674 1.00 0.00 H ATOM 1496 HG22 VAL B 98 -3.091 -5.767 -15.004 1.00 0.00 H ATOM 1497 HG23 VAL B 98 -2.788 -7.481 -15.372 1.00 0.00 H ATOM 1498 N ASP B 99 -0.232 -5.830 -11.179 1.00 32.91 N ATOM 1499 CA ASP B 99 0.176 -5.820 -9.811 1.00 14.44 C ATOM 1500 C ASP B 99 -1.022 -6.117 -8.939 1.00 18.18 C ATOM 1501 O ASP B 99 -2.018 -5.400 -9.065 1.00 26.33 O ATOM 1502 CB ASP B 99 0.730 -4.443 -9.474 1.00 30.29 C ATOM 1503 CG ASP B 99 1.518 -4.459 -8.165 1.00 20.78 C ATOM 1504 OD1 ASP B 99 2.743 -4.723 -8.207 1.00 44.76 O ATOM 1505 OD2 ASP B 99 0.865 -4.273 -7.131 1.00 24.68 O1- ATOM 1506 H ASP B 99 -0.165 -4.978 -11.718 1.00 0.00 H ATOM 1507 HA ASP B 99 0.938 -6.583 -9.653 1.00 0.00 H ATOM 1508 HB2 ASP B 99 1.395 -4.113 -10.272 1.00 0.00 H ATOM 1509 HB3 ASP B 99 -0.092 -3.735 -9.372 1.00 0.00 H ATOM 1510 N PRO B 100 -0.817 -7.165 -8.169 1.00 14.30 N ATOM 1511 CA PRO B 100 -1.649 -7.790 -7.168 1.00 19.65 C ATOM 1512 C PRO B 100 -2.411 -6.858 -6.267 1.00 27.11 C ATOM 1513 O PRO B 100 -3.341 -7.327 -5.615 1.00 40.37 O ATOM 1514 CB PRO B 100 -0.709 -8.617 -6.270 1.00 41.61 C ATOM 1515 CG PRO B 100 0.682 -8.555 -6.909 1.00 28.28 C ATOM 1516 CD PRO B 100 0.429 -7.978 -8.289 1.00 30.00 C ATOM 1517 HA PRO B 100 -2.407 -8.403 -7.656 1.00 0.00 H ATOM 1518 HB2 PRO B 100 -0.693 -8.189 -5.268 1.00 0.00 H ATOM 1519 HB3 PRO B 100 -1.066 -9.646 -6.220 1.00 0.00 H ATOM 1520 HG2 PRO B 100 1.330 -7.915 -6.310 1.00 0.00 H ATOM 1521 HG3 PRO B 100 1.106 -9.558 -6.956 1.00 0.00 H ATOM 1522 HD3 PRO B 100 0.279 -8.767 -9.025 1.00 0.00 H ATOM 1523 HD2 PRO B 100 1.252 -7.338 -8.606 1.00 0.00 H ATOM 1524 N GLU B 101 -2.022 -5.617 -6.193 1.00 46.17 N ATOM 1525 CA GLU B 101 -2.787 -4.731 -5.333 1.00 46.79 C ATOM 1526 C GLU B 101 -4.091 -4.303 -6.024 1.00 26.50 C ATOM 1527 O GLU B 101 -5.096 -3.942 -5.396 1.00 21.95 O ATOM 1528 CB GLU B 101 -1.862 -3.583 -4.969 1.00 48.29 C ATOM 1529 CG GLU B 101 -2.607 -2.375 -4.415 1.00 62.38 C ATOM 1530 CD GLU B 101 -2.860 -2.379 -2.909 1.00 49.47 C ATOM 1531 OE1 GLU B 101 -2.636 -3.383 -2.209 1.00 36.05 O ATOM 1532 OE2 GLU B 101 -3.293 -1.313 -2.471 1.00 78.25 O1- ATOM 1533 H GLU B 101 -1.219 -5.307 -6.721 1.00 0.00 H ATOM 1534 HA GLU B 101 -2.958 -5.215 -4.372 1.00 0.00 H ATOM 1535 HB2 GLU B 101 -1.154 -3.913 -4.209 1.00 0.00 H ATOM 1536 HB3 GLU B 101 -1.318 -3.259 -5.856 1.00 0.00 H ATOM 1537 HG2 GLU B 101 -2.038 -1.469 -4.624 1.00 0.00 H ATOM 1538 HG3 GLU B 101 -3.587 -2.304 -4.886 1.00 0.00 H ATOM 1539 N ASN B 102 -4.115 -4.408 -7.319 1.00 34.27 N ATOM 1540 CA ASN B 102 -5.381 -4.065 -7.949 1.00 47.04 C ATOM 1541 C ASN B 102 -6.395 -5.198 -7.741 1.00 14.14 C ATOM 1542 O ASN B 102 -7.607 -5.029 -7.951 1.00 25.12 O ATOM 1543 CB ASN B 102 -5.111 -3.750 -9.423 1.00 38.13 C ATOM 1544 CG ASN B 102 -4.033 -2.653 -9.507 1.00 18.10 C ATOM 1545 OD1 ASN B 102 -2.867 -2.879 -9.873 1.00 25.78 O ATOM 1546 ND2 ASN B 102 -4.456 -1.486 -9.177 1.00 15.88 N ATOM 1547 H ASN B 102 -3.290 -4.711 -7.817 1.00 0.00 H ATOM 1548 HA ASN B 102 -5.732 -3.108 -7.563 1.00 0.00 H ATOM 1549 HB2 ASN B 102 -4.762 -4.650 -9.929 1.00 0.00 H ATOM 1550 HB3 ASN B 102 -6.030 -3.401 -9.895 1.00 0.00 H ATOM 1551 HD22 ASN B 102 -3.827 -0.696 -9.198 1.00 0.00 H ATOM 1552 HD21 ASN B 102 -5.418 -1.358 -8.896 1.00 0.00 H ATOM 1553 N PHE B 103 -5.843 -6.316 -7.332 1.00 30.96 N ATOM 1554 CA PHE B 103 -6.643 -7.461 -6.963 1.00 28.43 C ATOM 1555 C PHE B 103 -7.340 -7.199 -5.633 1.00 45.33 C ATOM 1556 O PHE B 103 -8.459 -7.696 -5.476 1.00 40.84 O ATOM 1557 CB PHE B 103 -5.832 -8.730 -6.782 1.00 35.91 C ATOM 1558 CG PHE B 103 -5.030 -9.210 -7.995 1.00 60.68 C ATOM 1559 CD1 PHE B 103 -5.346 -8.791 -9.274 1.00 39.30 C ATOM 1560 CD2 PHE B 103 -3.972 -10.076 -7.785 1.00 37.35 C ATOM 1561 CE1 PHE B 103 -4.598 -9.255 -10.367 1.00 34.82 C ATOM 1562 CE2 PHE B 103 -3.231 -10.531 -8.853 1.00 28.12 C ATOM 1563 CZ PHE B 103 -3.543 -10.120 -10.150 1.00 34.72 C ATOM 1564 H PHE B 103 -4.838 -6.390 -7.270 1.00 0.00 H ATOM 1565 HA PHE B 103 -7.404 -7.634 -7.724 1.00 0.00 H ATOM 1566 HB2 PHE B 103 -5.104 -8.586 -5.984 1.00 0.00 H ATOM 1567 HB3 PHE B 103 -6.498 -9.553 -6.522 1.00 0.00 H ATOM 1568 HD1 PHE B 103 -6.167 -8.108 -9.431 1.00 0.00 H ATOM 1569 HD2 PHE B 103 -3.727 -10.396 -6.783 1.00 0.00 H ATOM 1570 HE1 PHE B 103 -4.849 -8.936 -11.368 1.00 0.00 H ATOM 1571 HE2 PHE B 103 -2.406 -11.208 -8.688 1.00 0.00 H ATOM 1572 HZ PHE B 103 -2.959 -10.479 -10.984 1.00 0.00 H ATOM 1573 N ARG B 104 -6.685 -6.472 -4.713 1.00 19.25 N ATOM 1574 CA ARG B 104 -7.384 -6.046 -3.508 1.00 14.08 C ATOM 1575 C ARG B 104 -8.393 -4.921 -3.796 1.00 21.68 C ATOM 1576 O ARG B 104 -9.528 -4.870 -3.309 1.00 23.16 O ATOM 1577 CB ARG B 104 -6.353 -5.668 -2.459 1.00 17.73 C ATOM 1578 CG ARG B 104 -5.914 -7.007 -1.910 1.00 57.60 C ATOM 1579 CD ARG B 104 -4.554 -6.995 -1.230 1.00 98.47 C ATOM 1580 NE ARG B 104 -4.089 -8.386 -1.193 1.00 65.09 N ATOM 1581 CZ ARG B 104 -3.230 -8.825 -2.112 1.00 87.11 C ATOM 1582 NH1 ARG B 104 -2.754 -7.983 -3.065 1.00 46.90 N ATOM 1583 NH2 ARG B 104 -2.837 -10.104 -2.032 1.00 58.90 N1+ ATOM 1584 H ARG B 104 -5.717 -6.225 -4.860 1.00 0.00 H ATOM 1585 HA ARG B 104 -7.846 -6.910 -3.030 1.00 0.00 H ATOM 1586 HB2 ARG B 104 -5.536 -5.122 -2.932 1.00 0.00 H ATOM 1587 HB3 ARG B 104 -6.819 -5.038 -1.701 1.00 0.00 H ATOM 1588 HG2 ARG B 104 -6.635 -7.350 -1.169 1.00 0.00 H ATOM 1589 HG3 ARG B 104 -5.855 -7.732 -2.722 1.00 0.00 H ATOM 1590 HD2 ARG B 104 -3.867 -6.372 -1.802 1.00 0.00 H ATOM 1591 HD3 ARG B 104 -4.655 -6.593 -0.222 1.00 0.00 H ATOM 1592 HE ARG B 104 -4.420 -9.011 -0.471 1.00 0.00 H ATOM 1593 HH12 ARG B 104 -2.103 -8.322 -3.759 1.00 0.00 H ATOM 1594 HH11 ARG B 104 -3.051 -7.018 -3.080 1.00 0.00 H ATOM 1595 HH22 ARG B 104 -2.187 -10.476 -2.709 1.00 0.00 H ATOM 1596 HH21 ARG B 104 -3.191 -10.696 -1.294 1.00 0.00 H ATOM 1597 N LEU B 105 -7.937 -4.022 -4.616 1.00 28.96 N ATOM 1598 CA LEU B 105 -8.829 -2.975 -5.001 1.00 14.08 C ATOM 1599 C LEU B 105 -10.182 -3.468 -5.617 1.00 13.02 C ATOM 1600 O LEU B 105 -11.229 -3.052 -5.151 1.00 13.54 O ATOM 1601 CB LEU B 105 -8.017 -2.096 -5.918 1.00 22.25 C ATOM 1602 CG LEU B 105 -6.778 -1.574 -5.201 1.00 5.00 C ATOM 1603 CD1 LEU B 105 -6.289 -0.447 -6.073 1.00 14.94 C ATOM 1604 CD2 LEU B 105 -7.101 -0.977 -3.848 1.00 23.82 C ATOM 1605 H LEU B 105 -6.987 -4.082 -4.954 1.00 0.00 H ATOM 1606 HA LEU B 105 -8.998 -2.311 -4.153 1.00 0.00 H ATOM 1607 HB2 LEU B 105 -7.705 -2.670 -6.790 1.00 0.00 H ATOM 1608 HB3 LEU B 105 -8.622 -1.248 -6.240 1.00 0.00 H ATOM 1609 HG LEU B 105 -6.012 -2.349 -5.187 1.00 0.00 H ATOM 1610 HD11 LEU B 105 -5.394 -0.008 -5.632 1.00 0.00 H ATOM 1611 HD12 LEU B 105 -6.054 -0.831 -7.066 1.00 0.00 H ATOM 1612 HD13 LEU B 105 -7.065 0.314 -6.153 1.00 0.00 H ATOM 1613 HD21 LEU B 105 -6.184 -0.620 -3.379 1.00 0.00 H ATOM 1614 HD22 LEU B 105 -7.792 -0.144 -3.974 1.00 0.00 H ATOM 1615 HD23 LEU B 105 -7.560 -1.737 -3.215 1.00 0.00 H ATOM 1616 N LEU B 106 -10.186 -4.285 -6.637 1.00 15.87 N ATOM 1617 CA LEU B 106 -11.379 -4.924 -7.213 1.00 19.81 C ATOM 1618 C LEU B 106 -12.178 -5.603 -6.108 1.00 41.70 C ATOM 1619 O LEU B 106 -13.378 -5.340 -5.989 1.00 28.13 O ATOM 1620 CB LEU B 106 -10.930 -5.991 -8.252 1.00 22.84 C ATOM 1621 CG LEU B 106 -12.058 -6.353 -9.221 1.00 35.63 C ATOM 1622 CD1 LEU B 106 -12.694 -5.105 -9.858 1.00 31.50 C ATOM 1623 CD2 LEU B 106 -11.640 -7.378 -10.275 1.00 24.28 C ATOM 1624 H LEU B 106 -9.319 -4.523 -7.096 1.00 0.00 H ATOM 1625 HA LEU B 106 -12.003 -4.168 -7.689 1.00 0.00 H ATOM 1626 HB2 LEU B 106 -10.093 -5.604 -8.832 1.00 0.00 H ATOM 1627 HB3 LEU B 106 -10.622 -6.898 -7.732 1.00 0.00 H ATOM 1628 HG LEU B 106 -12.771 -7.008 -8.721 1.00 0.00 H ATOM 1629 HD11 LEU B 106 -13.490 -5.409 -10.538 1.00 0.00 H ATOM 1630 HD12 LEU B 106 -13.109 -4.469 -9.076 1.00 0.00 H ATOM 1631 HD13 LEU B 106 -11.935 -4.552 -10.411 1.00 0.00 H ATOM 1632 HD21 LEU B 106 -12.485 -7.591 -10.930 1.00 0.00 H ATOM 1633 HD22 LEU B 106 -10.815 -6.978 -10.865 1.00 0.00 H ATOM 1634 HD23 LEU B 106 -11.322 -8.297 -9.783 1.00 0.00 H ATOM 1635 N GLY B 107 -11.436 -6.443 -5.354 1.00 30.78 N ATOM 1636 CA GLY B 107 -12.011 -7.060 -4.203 1.00 18.00 C ATOM 1637 C GLY B 107 -12.878 -6.087 -3.378 1.00 15.76 C ATOM 1638 O GLY B 107 -14.070 -6.322 -3.137 1.00 19.03 O ATOM 1639 H GLY B 107 -10.476 -6.633 -5.605 1.00 0.00 H ATOM 1640 HA2 GLY B 107 -12.645 -7.891 -4.514 1.00 0.00 H ATOM 1641 HA3 GLY B 107 -11.217 -7.432 -3.555 1.00 0.00 H ATOM 1642 N ASN B 108 -12.234 -5.021 -2.971 1.00 12.57 N ATOM 1643 CA ASN B 108 -12.911 -3.984 -2.178 1.00 29.77 C ATOM 1644 C ASN B 108 -13.990 -3.183 -2.930 1.00 22.98 C ATOM 1645 O ASN B 108 -14.914 -2.650 -2.289 1.00 16.32 O ATOM 1646 CB ASN B 108 -11.876 -2.996 -1.681 1.00 47.69 C ATOM 1647 CG ASN B 108 -11.034 -3.566 -0.561 1.00 30.47 C ATOM 1648 OD1 ASN B 108 -10.055 -2.932 -0.180 1.00 37.83 O ATOM 1649 ND2 ASN B 108 -11.427 -4.698 -0.014 1.00 40.92 N ATOM 1650 H ASN B 108 -11.258 -4.902 -3.201 1.00 0.00 H ATOM 1651 HA ASN B 108 -13.396 -4.443 -1.317 1.00 0.00 H ATOM 1652 HB2 ASN B 108 -11.210 -2.724 -2.500 1.00 0.00 H ATOM 1653 HB3 ASN B 108 -12.376 -2.102 -1.307 1.00 0.00 H ATOM 1654 HD22 ASN B 108 -10.891 -5.109 0.736 1.00 0.00 H ATOM 1655 HD21 ASN B 108 -12.265 -5.155 -0.345 1.00 0.00 H ATOM 1656 N VAL B 109 -13.820 -3.061 -4.235 1.00 30.02 N ATOM 1657 CA VAL B 109 -14.839 -2.292 -4.914 1.00 28.34 C ATOM 1658 C VAL B 109 -15.998 -3.286 -4.999 1.00 36.12 C ATOM 1659 O VAL B 109 -17.151 -2.877 -4.978 1.00 24.02 O ATOM 1660 CB VAL B 109 -14.439 -1.617 -6.281 1.00 16.17 C ATOM 1661 CG1 VAL B 109 -13.077 -0.965 -6.289 1.00 61.34 C ATOM 1662 CG2 VAL B 109 -14.595 -2.385 -7.557 1.00 36.59 C ATOM 1663 H VAL B 109 -13.023 -3.490 -4.683 1.00 0.00 H ATOM 1664 HA VAL B 109 -14.995 -1.350 -4.388 1.00 0.00 H ATOM 1665 HB VAL B 109 -15.254 -0.980 -6.625 1.00 0.00 H ATOM 1666 HG11 VAL B 109 -12.889 -0.528 -7.270 1.00 0.00 H ATOM 1667 HG12 VAL B 109 -13.044 -0.183 -5.531 1.00 0.00 H ATOM 1668 HG13 VAL B 109 -12.314 -1.713 -6.073 1.00 0.00 H ATOM 1669 HG21 VAL B 109 -14.273 -1.767 -8.395 1.00 0.00 H ATOM 1670 HG22 VAL B 109 -13.985 -3.287 -7.515 1.00 0.00 H ATOM 1671 HG23 VAL B 109 -15.641 -2.660 -7.690 1.00 0.00 H ATOM 1672 N LEU B 110 -15.672 -4.564 -5.017 1.00 28.68 N ATOM 1673 CA LEU B 110 -16.721 -5.539 -5.127 1.00 20.61 C ATOM 1674 C LEU B 110 -17.502 -5.454 -3.833 1.00 31.44 C ATOM 1675 O LEU B 110 -18.729 -5.609 -3.871 1.00 36.53 O ATOM 1676 CB LEU B 110 -16.215 -6.966 -5.249 1.00 42.53 C ATOM 1677 CG LEU B 110 -17.159 -7.935 -6.002 1.00 38.23 C ATOM 1678 CD1 LEU B 110 -16.991 -9.388 -5.557 1.00 31.66 C ATOM 1679 CD2 LEU B 110 -18.639 -7.565 -6.090 1.00 57.83 C ATOM 1680 H LEU B 110 -14.702 -4.839 -4.954 1.00 0.00 H ATOM 1681 HA LEU B 110 -17.380 -5.273 -5.954 1.00 0.00 H ATOM 1682 HB2 LEU B 110 -15.268 -6.971 -5.789 1.00 0.00 H ATOM 1683 HB3 LEU B 110 -16.067 -7.386 -4.254 1.00 0.00 H ATOM 1684 HG LEU B 110 -17.090 -7.751 -7.074 1.00 0.00 H ATOM 1685 HD11 LEU B 110 -17.677 -10.022 -6.118 1.00 0.00 H ATOM 1686 HD12 LEU B 110 -15.966 -9.709 -5.743 1.00 0.00 H ATOM 1687 HD13 LEU B 110 -17.209 -9.470 -4.492 1.00 0.00 H ATOM 1688 HD21 LEU B 110 -19.174 -8.336 -6.645 1.00 0.00 H ATOM 1689 HD22 LEU B 110 -19.055 -7.486 -5.085 1.00 0.00 H ATOM 1690 HD23 LEU B 110 -18.745 -6.609 -6.603 1.00 0.00 H ATOM 1691 N VAL B 111 -16.764 -5.176 -2.769 1.00 25.76 N ATOM 1692 CA VAL B 111 -17.502 -5.150 -1.527 1.00 11.68 C ATOM 1693 C VAL B 111 -18.352 -3.883 -1.472 1.00 18.22 C ATOM 1694 O VAL B 111 -19.470 -3.890 -0.945 1.00 17.77 O ATOM 1695 CB VAL B 111 -16.602 -5.359 -0.342 1.00 19.33 C ATOM 1696 CG1 VAL B 111 -17.324 -5.197 1.004 1.00 35.22 C ATOM 1697 CG2 VAL B 111 -16.031 -6.765 -0.426 1.00 22.87 C ATOM 1698 H VAL B 111 -15.774 -5.005 -2.872 1.00 0.00 H ATOM 1699 HA VAL B 111 -18.036 -6.092 -1.401 1.00 0.00 H ATOM 1700 HB VAL B 111 -15.784 -4.639 -0.375 1.00 0.00 H ATOM 1701 HG11 VAL B 111 -16.618 -5.361 1.818 1.00 0.00 H ATOM 1702 HG12 VAL B 111 -17.735 -4.190 1.077 1.00 0.00 H ATOM 1703 HG13 VAL B 111 -18.132 -5.925 1.073 1.00 0.00 H ATOM 1704 HG21 VAL B 111 -15.373 -6.942 0.425 1.00 0.00 H ATOM 1705 HG22 VAL B 111 -16.845 -7.490 -0.412 1.00 0.00 H ATOM 1706 HG23 VAL B 111 -15.465 -6.873 -1.351 1.00 0.00 H ATOM 1707 N CYS B 112 -17.829 -2.859 -2.057 1.00 19.25 N ATOM 1708 CA CYS B 112 -18.645 -1.663 -2.176 1.00 16.63 C ATOM 1709 C CYS B 112 -19.939 -1.909 -2.971 1.00 23.50 C ATOM 1710 O CYS B 112 -20.981 -1.464 -2.521 1.00 42.76 O ATOM 1711 CB CYS B 112 -17.850 -0.585 -2.892 1.00 28.47 C ATOM 1712 SG CYS B 112 -16.573 0.180 -1.873 1.00 26.41 S ATOM 1713 H CYS B 112 -16.885 -2.908 -2.412 1.00 0.00 H ATOM 1714 HA CYS B 112 -18.924 -1.312 -1.182 1.00 0.00 H ATOM 1715 HB2 CYS B 112 -17.353 -1.016 -3.761 1.00 0.00 H ATOM 1716 HB3 CYS B 112 -18.523 0.209 -3.215 1.00 0.00 H ATOM 1717 HG CYS B 112 -15.931 1.110 -2.586 1.00 0.00 H ATOM 1718 N VAL B 113 -19.838 -2.572 -4.112 1.00 68.82 N ATOM 1719 CA VAL B 113 -20.943 -2.828 -5.064 1.00 33.88 C ATOM 1720 C VAL B 113 -22.039 -3.644 -4.424 1.00 16.68 C ATOM 1721 O VAL B 113 -23.210 -3.385 -4.706 1.00 25.83 O ATOM 1722 CB VAL B 113 -20.471 -3.644 -6.280 1.00 31.42 C ATOM 1723 CG1 VAL B 113 -21.638 -3.921 -7.268 1.00 31.19 C ATOM 1724 CG2 VAL B 113 -19.392 -2.850 -7.000 1.00 22.98 C ATOM 1725 H VAL B 113 -18.947 -2.954 -4.397 1.00 0.00 H ATOM 1726 HA VAL B 113 -21.389 -1.881 -5.367 1.00 0.00 H ATOM 1727 HB VAL B 113 -20.072 -4.601 -5.943 1.00 0.00 H ATOM 1728 HG11 VAL B 113 -21.268 -4.499 -8.115 1.00 0.00 H ATOM 1729 HG12 VAL B 113 -22.420 -4.483 -6.758 1.00 0.00 H ATOM 1730 HG13 VAL B 113 -22.045 -2.975 -7.625 1.00 0.00 H ATOM 1731 HG21 VAL B 113 -19.044 -3.412 -7.866 1.00 0.00 H ATOM 1732 HG22 VAL B 113 -19.801 -1.894 -7.328 1.00 0.00 H ATOM 1733 HG23 VAL B 113 -18.557 -2.674 -6.322 1.00 0.00 H ATOM 1734 N LEU B 114 -21.593 -4.637 -3.646 1.00 18.81 N ATOM 1735 CA LEU B 114 -22.558 -5.467 -2.901 1.00 10.25 C ATOM 1736 C LEU B 114 -23.215 -4.630 -1.811 1.00 21.48 C ATOM 1737 O LEU B 114 -24.437 -4.632 -1.701 1.00 22.52 O ATOM 1738 CB LEU B 114 -21.789 -6.534 -2.185 1.00 27.68 C ATOM 1739 CG LEU B 114 -21.138 -7.440 -3.188 1.00 18.74 C ATOM 1740 CD1 LEU B 114 -20.207 -8.458 -2.491 1.00 29.19 C ATOM 1741 CD2 LEU B 114 -22.229 -8.099 -4.001 1.00 32.47 C ATOM 1742 H LEU B 114 -20.601 -4.814 -3.572 1.00 0.00 H ATOM 1743 HA LEU B 114 -23.374 -5.758 -3.562 1.00 0.00 H ATOM 1744 HB2 LEU B 114 -21.023 -6.074 -1.561 1.00 0.00 H ATOM 1745 HB3 LEU B 114 -22.467 -7.114 -1.559 1.00 0.00 H ATOM 1746 HG LEU B 114 -20.610 -6.841 -3.930 1.00 0.00 H ATOM 1747 HD11 LEU B 114 -19.747 -9.103 -3.240 1.00 0.00 H ATOM 1748 HD12 LEU B 114 -19.429 -7.925 -1.945 1.00 0.00 H ATOM 1749 HD13 LEU B 114 -20.787 -9.065 -1.796 1.00 0.00 H ATOM 1750 HD21 LEU B 114 -21.781 -8.764 -4.739 1.00 0.00 H ATOM 1751 HD22 LEU B 114 -22.878 -8.674 -3.341 1.00 0.00 H ATOM 1752 HD23 LEU B 114 -22.816 -7.334 -4.510 1.00 0.00 H ATOM 1753 N ALA B 115 -22.405 -3.900 -1.039 1.00 16.53 N ATOM 1754 CA ALA B 115 -23.068 -3.024 -0.096 1.00 10.84 C ATOM 1755 C ALA B 115 -24.103 -2.068 -0.733 1.00 25.82 C ATOM 1756 O ALA B 115 -25.152 -1.788 -0.129 1.00 45.78 O ATOM 1757 CB ALA B 115 -22.049 -2.240 0.748 1.00 14.02 C ATOM 1758 H ALA B 115 -21.403 -3.983 -1.138 1.00 0.00 H ATOM 1759 HA ALA B 115 -23.505 -3.618 0.707 1.00 0.00 H ATOM 1760 HB1 ALA B 115 -22.578 -1.591 1.446 1.00 0.00 H ATOM 1761 HB2 ALA B 115 -21.423 -2.938 1.304 1.00 0.00 H ATOM 1762 HB3 ALA B 115 -21.423 -1.634 0.093 1.00 0.00 H ATOM 1763 N HIS B 116 -23.828 -1.552 -1.879 1.00 37.13 N ATOM 1764 CA HIS B 116 -24.742 -0.583 -2.523 1.00 29.08 C ATOM 1765 C HIS B 116 -26.001 -1.356 -2.977 1.00 31.47 C ATOM 1766 O HIS B 116 -27.107 -0.816 -3.088 1.00 27.10 O ATOM 1767 CB HIS B 116 -23.951 -0.011 -3.690 1.00 15.55 C ATOM 1768 CG HIS B 116 -24.576 1.019 -4.651 1.00 21.97 C ATOM 1769 ND1 HIS B 116 -24.676 0.773 -6.037 1.00 31.08 N ATOM 1770 CD2 HIS B 116 -25.088 2.260 -4.386 1.00 40.77 C ATOM 1771 CE1 HIS B 116 -25.280 1.893 -6.624 1.00 45.85 C ATOM 1772 NE2 HIS B 116 -25.532 2.806 -5.613 1.00 52.69 N ATOM 1773 H HIS B 116 -22.975 -1.807 -2.356 1.00 0.00 H ATOM 1774 HA HIS B 116 -25.007 0.197 -1.809 1.00 0.00 H ATOM 1775 HB2 HIS B 116 -23.067 0.503 -3.313 1.00 0.00 H ATOM 1776 HB3 HIS B 116 -23.646 -0.820 -4.354 1.00 0.00 H ATOM 1777 HD1 HIS B 116 -24.336 -0.097 -6.421 1.00 0.00 H ATOM 1778 HD2 HIS B 116 -25.092 2.638 -3.374 1.00 0.00 H ATOM 1779 HE1 HIS B 116 -25.461 1.913 -7.689 1.00 0.00 H ATOM 1780 N HIS B 117 -25.823 -2.644 -3.169 1.00 29.56 N ATOM 1781 CA HIS B 117 -26.913 -3.350 -3.848 1.00 29.19 C ATOM 1782 C HIS B 117 -27.841 -3.963 -2.812 1.00 28.10 C ATOM 1783 O HIS B 117 -29.042 -4.153 -3.044 1.00 60.54 O ATOM 1784 CB HIS B 117 -26.434 -4.352 -4.944 1.00 27.58 C ATOM 1785 CG HIS B 117 -25.953 -3.605 -6.236 1.00100.00 C ATOM 1786 ND1 HIS B 117 -25.985 -4.129 -7.548 1.00 80.74 N ATOM 1787 CD2 HIS B 117 -25.416 -2.320 -6.352 1.00 79.81 C ATOM 1788 CE1 HIS B 117 -25.479 -3.184 -8.440 1.00 66.62 C ATOM 1789 NE2 HIS B 117 -25.121 -2.048 -7.697 1.00 62.10 N ATOM 1790 H HIS B 117 -24.973 -3.089 -2.854 1.00 0.00 H ATOM 1791 HA HIS B 117 -27.371 -2.690 -4.585 1.00 0.00 H ATOM 1792 HB2 HIS B 117 -25.603 -4.943 -4.559 1.00 0.00 H ATOM 1793 HB3 HIS B 117 -27.256 -5.015 -5.215 1.00 0.00 H ATOM 1794 HD1 HIS B 117 -26.340 -5.060 -7.711 1.00 0.00 H ATOM 1795 HD2 HIS B 117 -25.288 -1.707 -5.472 1.00 0.00 H ATOM 1796 HE1 HIS B 117 -25.426 -3.411 -9.495 1.00 0.00 H ATOM 1797 N PHE B 118 -27.302 -4.249 -1.702 1.00 39.97 N ATOM 1798 CA PHE B 118 -28.081 -4.994 -0.706 1.00 35.86 C ATOM 1799 C PHE B 118 -28.506 -4.091 0.465 1.00 14.06 C ATOM 1800 O PHE B 118 -29.335 -4.409 1.298 1.00 38.63 O ATOM 1801 CB PHE B 118 -27.159 -6.163 -0.363 1.00 16.50 C ATOM 1802 CG PHE B 118 -27.218 -7.231 -1.459 1.00 22.00 C ATOM 1803 CD1 PHE B 118 -26.131 -7.525 -2.265 1.00 44.05 C ATOM 1804 CD2 PHE B 118 -28.411 -7.939 -1.659 1.00 72.53 C ATOM 1805 CE1 PHE B 118 -26.225 -8.517 -3.260 1.00 68.18 C ATOM 1806 CE2 PHE B 118 -28.533 -8.946 -2.656 1.00 39.17 C ATOM 1807 CZ PHE B 118 -27.441 -9.234 -3.457 1.00 44.10 C ATOM 1808 H PHE B 118 -26.351 -3.965 -1.514 1.00 0.00 H ATOM 1809 HA PHE B 118 -28.928 -5.477 -1.193 1.00 0.00 H ATOM 1810 HB2 PHE B 118 -26.134 -5.804 -0.274 1.00 0.00 H ATOM 1811 HB3 PHE B 118 -27.471 -6.608 0.582 1.00 0.00 H ATOM 1812 HD1 PHE B 118 -25.201 -6.992 -2.133 1.00 0.00 H ATOM 1813 HD2 PHE B 118 -29.274 -7.726 -1.046 1.00 0.00 H ATOM 1814 HE1 PHE B 118 -25.371 -8.740 -3.882 1.00 0.00 H ATOM 1815 HE2 PHE B 118 -29.467 -9.473 -2.779 1.00 0.00 H ATOM 1816 HZ PHE B 118 -27.503 -9.992 -4.224 1.00 0.00 H ATOM 1817 N GLY B 119 -27.934 -2.911 0.480 1.00 21.73 N ATOM 1818 CA GLY B 119 -27.997 -1.989 1.579 1.00 15.66 C ATOM 1819 C GLY B 119 -27.828 -2.598 2.975 1.00 33.09 C ATOM 1820 O GLY B 119 -26.745 -3.067 3.338 1.00 33.85 O ATOM 1821 H GLY B 119 -27.404 -2.596 -0.320 1.00 0.00 H ATOM 1822 HA2 GLY B 119 -27.207 -1.245 1.475 1.00 0.00 H ATOM 1823 HA3 GLY B 119 -28.967 -1.491 1.581 1.00 0.00 H ATOM 1824 N LYS B 120 -28.916 -2.532 3.732 1.00 30.94 N ATOM 1825 CA LYS B 120 -28.812 -2.805 5.146 1.00 29.33 C ATOM 1826 C LYS B 120 -28.545 -4.293 5.279 1.00 18.26 C ATOM 1827 O LYS B 120 -28.041 -4.733 6.317 1.00 35.17 O ATOM 1828 CB LYS B 120 -30.039 -2.267 5.950 1.00 38.10 C ATOM 1829 CG LYS B 120 -29.841 -0.755 6.219 1.00 91.22 C ATOM 1830 CD LYS B 120 -30.958 0.017 6.962 1.00 73.95 C ATOM 1831 CE LYS B 120 -30.660 1.548 7.005 1.00 90.38 C ATOM 1832 NZ LYS B 120 -30.838 2.262 5.701 1.00 50.74 N1+ ATOM 1833 H LYS B 120 -29.806 -2.293 3.318 1.00 0.00 H ATOM 1834 HA LYS B 120 -28.085 -2.128 5.595 1.00 0.00 H ATOM 1835 HB2 LYS B 120 -30.949 -2.421 5.371 1.00 0.00 H ATOM 1836 HB3 LYS B 120 -30.116 -2.802 6.897 1.00 0.00 H ATOM 1837 HG2 LYS B 120 -28.949 -0.608 6.829 1.00 0.00 H ATOM 1838 HG3 LYS B 120 -29.724 -0.229 5.271 1.00 0.00 H ATOM 1839 HD2 LYS B 120 -31.908 -0.136 6.450 1.00 0.00 H ATOM 1840 HD3 LYS B 120 -31.034 -0.349 7.986 1.00 0.00 H ATOM 1841 HE2 LYS B 120 -31.329 2.029 7.719 1.00 0.00 H ATOM 1842 HE3 LYS B 120 -29.626 1.709 7.311 1.00 0.00 H ATOM 1843 HZ1 LYS B 120 -30.625 3.242 5.821 1.00 0.00 H ATOM 1844 HZ2 LYS B 120 -30.216 1.865 5.012 1.00 0.00 H ATOM 1845 HZ3 LYS B 120 -31.793 2.161 5.389 1.00 0.00 H ATOM 1846 N GLU B 121 -28.865 -5.025 4.214 1.00 22.33 N ATOM 1847 CA GLU B 121 -28.759 -6.501 4.312 1.00 37.65 C ATOM 1848 C GLU B 121 -27.290 -6.878 4.282 1.00 26.59 C ATOM 1849 O GLU B 121 -26.843 -8.006 4.537 1.00 30.26 O ATOM 1850 CB GLU B 121 -29.595 -7.246 3.237 1.00 26.99 C ATOM 1851 CG GLU B 121 -31.025 -7.362 3.735 1.00 58.58 C ATOM 1852 CD GLU B 121 -31.812 -8.295 2.819 1.00100.00 C ATOM 1853 OE1 GLU B 121 -32.670 -7.777 2.091 1.00 95.29 O ATOM 1854 OE2 GLU B 121 -31.594 -9.514 2.880 1.00 92.98 O1- ATOM 1855 H GLU B 121 -29.172 -4.573 3.364 1.00 0.00 H ATOM 1856 HA GLU B 121 -29.303 -6.847 5.191 1.00 0.00 H ATOM 1857 HB2 GLU B 121 -29.571 -6.684 2.303 1.00 0.00 H ATOM 1858 HB3 GLU B 121 -29.176 -8.239 3.074 1.00 0.00 H ATOM 1859 HG2 GLU B 121 -31.026 -7.764 4.748 1.00 0.00 H ATOM 1860 HG3 GLU B 121 -31.491 -6.377 3.735 1.00 0.00 H ATOM 1861 N PHE B 122 -26.538 -5.853 4.008 1.00 56.57 N ATOM 1862 CA PHE B 122 -25.092 -6.036 4.033 1.00 42.53 C ATOM 1863 C PHE B 122 -24.531 -5.493 5.356 1.00 19.74 C ATOM 1864 O PHE B 122 -23.937 -4.413 5.407 1.00 20.55 O ATOM 1865 CB PHE B 122 -24.515 -5.356 2.789 1.00 52.84 C ATOM 1866 CG PHE B 122 -23.131 -5.933 2.435 1.00 38.58 C ATOM 1867 CD1 PHE B 122 -23.040 -7.164 1.841 1.00 40.92 C ATOM 1868 CD2 PHE B 122 -21.987 -5.224 2.718 1.00 57.57 C ATOM 1869 CE1 PHE B 122 -21.812 -7.691 1.527 1.00 40.85 C ATOM 1870 CE2 PHE B 122 -20.758 -5.739 2.407 1.00 34.84 C ATOM 1871 CZ PHE B 122 -20.667 -6.979 1.809 1.00 38.17 C ATOM 1872 H PHE B 122 -26.959 -4.962 3.786 1.00 0.00 H ATOM 1873 HA PHE B 122 -24.855 -7.088 3.871 1.00 0.00 H ATOM 1874 HB2 PHE B 122 -25.185 -5.514 1.944 1.00 0.00 H ATOM 1875 HB3 PHE B 122 -24.410 -4.287 2.974 1.00 0.00 H ATOM 1876 HD1 PHE B 122 -23.936 -7.724 1.618 1.00 0.00 H ATOM 1877 HD2 PHE B 122 -22.055 -4.254 3.189 1.00 0.00 H ATOM 1878 HE1 PHE B 122 -21.745 -8.662 1.060 1.00 0.00 H ATOM 1879 HE2 PHE B 122 -19.864 -5.175 2.630 1.00 0.00 H ATOM 1880 HZ PHE B 122 -19.700 -7.392 1.562 1.00 0.00 H ATOM 1881 N THR B 123 -24.740 -6.280 6.390 1.00 12.38 N ATOM 1882 CA THR B 123 -24.397 -5.930 7.738 1.00 15.35 C ATOM 1883 C THR B 123 -22.883 -6.116 7.871 1.00 21.27 C ATOM 1884 O THR B 123 -22.224 -6.695 7.012 1.00 26.92 O ATOM 1885 CB THR B 123 -25.104 -6.898 8.700 1.00 40.86 C ATOM 1886 OG1 THR B 123 -24.478 -8.177 8.583 1.00 35.07 O ATOM 1887 CG2 THR B 123 -26.623 -7.010 8.492 1.00 27.01 C ATOM 1888 H THR B 123 -25.164 -7.187 6.257 1.00 0.00 H ATOM 1889 HA THR B 123 -24.636 -4.881 7.914 1.00 0.00 H ATOM 1890 HB THR B 123 -25.078 -6.491 9.711 1.00 0.00 H ATOM 1891 HG1 THR B 123 -24.905 -8.798 9.177 1.00 0.00 H ATOM 1892 HG21 THR B 123 -27.038 -7.714 9.213 1.00 0.00 H ATOM 1893 HG22 THR B 123 -27.083 -6.032 8.634 1.00 0.00 H ATOM 1894 HG23 THR B 123 -26.827 -7.364 7.481 1.00 0.00 H ATOM 1895 N PRO B 124 -22.345 -5.539 8.895 1.00 19.23 N ATOM 1896 CA PRO B 124 -20.940 -5.572 9.150 1.00 21.89 C ATOM 1897 C PRO B 124 -20.378 -6.984 9.216 1.00 18.43 C ATOM 1898 O PRO B 124 -19.265 -7.130 8.686 1.00 27.31 O ATOM 1899 CB PRO B 124 -20.745 -4.756 10.420 1.00 44.34 C ATOM 1900 CG PRO B 124 -21.929 -3.790 10.415 1.00 27.71 C ATOM 1901 CD PRO B 124 -23.038 -4.618 9.845 1.00 26.64 C ATOM 1902 HA PRO B 124 -20.422 -4.961 8.411 1.00 0.00 H ATOM 1903 HB2 PRO B 124 -20.757 -5.420 11.284 1.00 0.00 H ATOM 1904 HB3 PRO B 124 -19.788 -4.236 10.375 1.00 0.00 H ATOM 1905 HG2 PRO B 124 -22.134 -3.460 11.434 1.00 0.00 H ATOM 1906 HG3 PRO B 124 -21.691 -2.926 9.795 1.00 0.00 H ATOM 1907 HD3 PRO B 124 -23.765 -4.014 9.302 1.00 0.00 H ATOM 1908 HD2 PRO B 124 -23.550 -5.202 10.609 1.00 0.00 H ATOM 1909 N PRO B 125 -21.066 -7.953 9.868 1.00 33.21 N ATOM 1910 CA PRO B 125 -20.661 -9.401 9.911 1.00 15.10 C ATOM 1911 C PRO B 125 -20.668 -10.048 8.554 1.00 21.53 C ATOM 1912 O PRO B 125 -19.946 -11.061 8.298 1.00 31.21 O ATOM 1913 CB PRO B 125 -21.744 -10.085 10.729 1.00 61.66 C ATOM 1914 CG PRO B 125 -22.306 -8.997 11.633 1.00 41.01 C ATOM 1915 CD PRO B 125 -22.222 -7.742 10.802 1.00 28.31 C ATOM 1916 HA PRO B 125 -19.626 -9.480 10.244 1.00 0.00 H ATOM 1917 HB2 PRO B 125 -22.507 -10.485 10.061 1.00 0.00 H ATOM 1918 HB3 PRO B 125 -21.305 -10.899 11.306 1.00 0.00 H ATOM 1919 HG2 PRO B 125 -23.334 -9.241 11.900 1.00 0.00 H ATOM 1920 HG3 PRO B 125 -21.702 -8.928 12.538 1.00 0.00 H ATOM 1921 HD3 PRO B 125 -22.033 -6.867 11.423 1.00 0.00 H ATOM 1922 HD2 PRO B 125 -23.133 -7.587 10.224 1.00 0.00 H ATOM 1923 N VAL B 126 -21.495 -9.470 7.670 1.00 32.40 N ATOM 1924 CA VAL B 126 -21.544 -10.168 6.366 1.00 31.07 C ATOM 1925 C VAL B 126 -20.434 -9.569 5.541 1.00 17.55 C ATOM 1926 O VAL B 126 -19.791 -10.182 4.688 1.00 28.61 O ATOM 1927 CB VAL B 126 -22.891 -9.961 5.672 1.00 44.56 C ATOM 1928 CG1 VAL B 126 -22.883 -10.517 4.236 1.00 27.93 C ATOM 1929 CG2 VAL B 126 -24.010 -10.554 6.521 1.00 39.43 C ATOM 1930 H VAL B 126 -22.009 -8.639 7.927 1.00 0.00 H ATOM 1931 HA VAL B 126 -21.388 -11.236 6.519 1.00 0.00 H ATOM 1932 HB VAL B 126 -23.164 -8.907 5.714 1.00 0.00 H ATOM 1933 HG11 VAL B 126 -23.857 -10.351 3.776 1.00 0.00 H ATOM 1934 HG12 VAL B 126 -22.115 -10.008 3.653 1.00 0.00 H ATOM 1935 HG13 VAL B 126 -22.671 -11.586 4.261 1.00 0.00 H ATOM 1936 HG21 VAL B 126 -24.966 -10.403 6.020 1.00 0.00 H ATOM 1937 HG22 VAL B 126 -23.837 -11.622 6.657 1.00 0.00 H ATOM 1938 HG23 VAL B 126 -24.028 -10.062 7.494 1.00 0.00 H ATOM 1939 N GLN B 127 -20.248 -8.345 5.814 1.00 29.26 N ATOM 1940 CA GLN B 127 -19.136 -7.720 5.150 1.00 35.47 C ATOM 1941 C GLN B 127 -17.788 -8.355 5.532 1.00 21.35 C ATOM 1942 O GLN B 127 -16.938 -8.636 4.676 1.00 21.44 O ATOM 1943 CB GLN B 127 -19.204 -6.259 5.553 1.00 36.04 C ATOM 1944 CG GLN B 127 -17.807 -5.748 5.400 1.00 50.99 C ATOM 1945 CD GLN B 127 -17.655 -4.257 5.518 1.00 15.12 C ATOM 1946 OE1 GLN B 127 -18.385 -3.512 6.159 1.00 20.67 O ATOM 1947 NE2 GLN B 127 -16.634 -3.939 4.828 1.00 27.08 N ATOM 1948 H GLN B 127 -20.863 -7.873 6.462 1.00 0.00 H ATOM 1949 HA GLN B 127 -19.274 -7.785 4.071 1.00 0.00 H ATOM 1950 HB2 GLN B 127 -19.898 -5.733 4.898 1.00 0.00 H ATOM 1951 HB3 GLN B 127 -19.549 -6.182 6.584 1.00 0.00 H ATOM 1952 HG2 GLN B 127 -17.173 -6.186 6.171 1.00 0.00 H ATOM 1953 HG3 GLN B 127 -17.425 -6.022 4.417 1.00 0.00 H ATOM 1954 HE22 GLN B 127 -16.346 -2.973 4.768 1.00 0.00 H ATOM 1955 HE21 GLN B 127 -16.111 -4.653 4.341 1.00 0.00 H ATOM 1956 N ALA B 128 -17.658 -8.574 6.818 1.00 41.65 N ATOM 1957 CA ALA B 128 -16.534 -9.290 7.450 1.00 50.73 C ATOM 1958 C ALA B 128 -16.328 -10.677 6.805 1.00 39.99 C ATOM 1959 O ALA B 128 -15.203 -11.142 6.615 1.00 23.01 O ATOM 1960 CB ALA B 128 -16.771 -9.366 8.991 1.00 20.93 C ATOM 1961 H ALA B 128 -18.363 -8.242 7.461 1.00 0.00 H ATOM 1962 HA ALA B 128 -15.639 -8.669 7.411 1.00 0.00 H ATOM 1963 HB1 ALA B 128 -15.942 -9.895 9.461 1.00 0.00 H ATOM 1964 HB2 ALA B 128 -16.836 -8.357 9.399 1.00 0.00 H ATOM 1965 HB3 ALA B 128 -17.701 -9.899 9.190 1.00 0.00 H ATOM 1966 N ALA B 129 -17.417 -11.327 6.433 1.00 54.83 N ATOM 1967 CA ALA B 129 -17.288 -12.665 5.842 1.00 23.42 C ATOM 1968 C ALA B 129 -16.729 -12.570 4.424 1.00 19.35 C ATOM 1969 O ALA B 129 -15.960 -13.421 3.956 1.00 38.88 O ATOM 1970 CB ALA B 129 -18.719 -13.273 5.821 1.00 38.30 C ATOM 1971 H ALA B 129 -18.325 -10.903 6.556 1.00 0.00 H ATOM 1972 HA ALA B 129 -16.610 -13.266 6.447 1.00 0.00 H ATOM 1973 HB1 ALA B 129 -18.683 -14.273 5.389 1.00 0.00 H ATOM 1974 HB2 ALA B 129 -19.105 -13.331 6.839 1.00 0.00 H ATOM 1975 HB3 ALA B 129 -19.374 -12.642 5.220 1.00 0.00 H ATOM 1976 N TYR B 130 -17.182 -11.520 3.765 1.00 56.11 N ATOM 1977 CA TYR B 130 -16.913 -11.289 2.333 1.00 14.60 C ATOM 1978 C TYR B 130 -15.487 -10.811 2.153 1.00 10.83 C ATOM 1979 O TYR B 130 -14.913 -11.037 1.077 1.00 18.85 O ATOM 1980 CB TYR B 130 -17.947 -10.242 1.800 1.00 10.24 C ATOM 1981 CG TYR B 130 -19.009 -10.976 1.005 1.00 21.63 C ATOM 1982 CD1 TYR B 130 -18.703 -11.661 -0.174 1.00 13.62 C ATOM 1983 CD2 TYR B 130 -20.281 -11.002 1.513 1.00 33.07 C ATOM 1984 CE1 TYR B 130 -19.708 -12.340 -0.871 1.00 14.57 C ATOM 1985 CE2 TYR B 130 -21.299 -11.683 0.835 1.00 44.74 C ATOM 1986 CZ TYR B 130 -21.024 -12.342 -0.361 1.00 27.45 C ATOM 1987 OH TYR B 130 -22.049 -12.973 -1.045 1.00 31.06 O ATOM 1988 H TYR B 130 -17.742 -10.828 4.242 1.00 0.00 H ATOM 1989 HA TYR B 130 -17.093 -12.209 1.776 1.00 0.00 H ATOM 1990 HB2 TYR B 130 -18.405 -9.722 2.641 1.00 0.00 H ATOM 1991 HB3 TYR B 130 -17.438 -9.520 1.162 1.00 0.00 H ATOM 1992 HD1 TYR B 130 -17.690 -11.667 -0.548 1.00 0.00 H ATOM 1993 HD2 TYR B 130 -20.502 -10.496 2.441 1.00 0.00 H ATOM 1994 HE1 TYR B 130 -19.473 -12.856 -1.790 1.00 0.00 H ATOM 1995 HE2 TYR B 130 -22.300 -11.698 1.239 1.00 0.00 H ATOM 1996 HH TYR B 130 -22.869 -12.874 -0.556 1.00 0.00 H ATOM 1997 N GLN B 131 -14.974 -10.152 3.220 1.00 26.46 N ATOM 1998 CA GLN B 131 -13.634 -9.549 3.163 1.00 25.26 C ATOM 1999 C GLN B 131 -12.630 -10.675 3.153 1.00 12.09 C ATOM 2000 O GLN B 131 -11.563 -10.576 2.540 1.00 22.55 O ATOM 2001 CB GLN B 131 -13.252 -8.551 4.311 1.00 31.66 C ATOM 2002 CG GLN B 131 -14.030 -7.209 4.399 1.00 32.26 C ATOM 2003 CD GLN B 131 -13.896 -6.272 3.198 1.00 13.94 C ATOM 2004 OE1 GLN B 131 -14.788 -5.486 2.876 1.00 34.86 O ATOM 2005 NE2 GLN B 131 -12.827 -6.411 2.492 1.00 32.42 N ATOM 2006 H GLN B 131 -15.514 -10.070 4.070 1.00 0.00 H ATOM 2007 HA GLN B 131 -13.557 -8.917 2.278 1.00 0.00 H ATOM 2008 HB2 GLN B 131 -13.406 -9.031 5.277 1.00 0.00 H ATOM 2009 HB3 GLN B 131 -12.205 -8.265 4.211 1.00 0.00 H ATOM 2010 HG2 GLN B 131 -15.096 -7.412 4.504 1.00 0.00 H ATOM 2011 HG3 GLN B 131 -13.682 -6.643 5.263 1.00 0.00 H ATOM 2012 HE22 GLN B 131 -12.675 -5.824 1.684 1.00 0.00 H ATOM 2013 HE21 GLN B 131 -12.141 -7.107 2.746 1.00 0.00 H ATOM 2014 N LYS B 132 -12.996 -11.671 3.855 1.00 15.45 N ATOM 2015 CA LYS B 132 -12.055 -12.748 3.935 1.00 24.07 C ATOM 2016 C LYS B 132 -11.928 -13.453 2.590 1.00 24.14 C ATOM 2017 O LYS B 132 -10.884 -14.022 2.257 1.00 34.53 O ATOM 2018 CB LYS B 132 -12.594 -13.736 4.923 1.00 30.82 C ATOM 2019 CG LYS B 132 -12.873 -13.131 6.282 1.00 54.06 C ATOM 2020 CD LYS B 132 -13.163 -14.242 7.300 1.00 42.33 C ATOM 2021 CE LYS B 132 -13.193 -13.746 8.742 1.00 42.68 C ATOM 2022 NZ LYS B 132 -13.007 -14.887 9.653 1.00 54.96 N1+ ATOM 2023 H LYS B 132 -13.898 -11.664 4.310 1.00 0.00 H ATOM 2024 HA LYS B 132 -11.069 -12.352 4.177 1.00 0.00 H ATOM 2025 HB2 LYS B 132 -13.531 -14.150 4.550 1.00 0.00 H ATOM 2026 HB3 LYS B 132 -11.872 -14.541 5.064 1.00 0.00 H ATOM 2027 HG2 LYS B 132 -12.005 -12.560 6.611 1.00 0.00 H ATOM 2028 HG3 LYS B 132 -13.738 -12.470 6.216 1.00 0.00 H ATOM 2029 HD2 LYS B 132 -14.135 -14.687 7.086 1.00 0.00 H ATOM 2030 HD3 LYS B 132 -12.390 -15.008 7.233 1.00 0.00 H ATOM 2031 HE2 LYS B 132 -12.392 -13.023 8.895 1.00 0.00 H ATOM 2032 HE3 LYS B 132 -14.153 -13.271 8.944 1.00 0.00 H ATOM 2033 HZ1 LYS B 132 -13.026 -14.562 10.609 1.00 0.00 H ATOM 2034 HZ2 LYS B 132 -13.750 -15.557 9.511 1.00 0.00 H ATOM 2035 HZ3 LYS B 132 -12.117 -15.327 9.465 1.00 0.00 H ATOM 2036 N VAL B 133 -13.041 -13.368 1.895 1.00 40.57 N ATOM 2037 CA VAL B 133 -13.227 -14.184 0.723 1.00 39.64 C ATOM 2038 C VAL B 133 -12.548 -13.512 -0.461 1.00 22.12 C ATOM 2039 O VAL B 133 -11.921 -14.216 -1.277 1.00 37.35 O ATOM 2040 CB VAL B 133 -14.714 -14.433 0.419 1.00 37.16 C ATOM 2041 CG1 VAL B 133 -14.905 -15.226 -0.850 1.00 44.81 C ATOM 2042 CG2 VAL B 133 -15.530 -15.086 1.490 1.00 17.75 C ATOM 2043 H VAL B 133 -13.768 -12.729 2.183 1.00 0.00 H ATOM 2044 HA VAL B 133 -12.827 -15.181 0.907 1.00 0.00 H ATOM 2045 HB VAL B 133 -15.244 -13.481 0.393 1.00 0.00 H ATOM 2046 HG11 VAL B 133 -15.970 -15.379 -1.027 1.00 0.00 H ATOM 2047 HG12 VAL B 133 -14.473 -14.680 -1.689 1.00 0.00 H ATOM 2048 HG13 VAL B 133 -14.411 -16.193 -0.753 1.00 0.00 H ATOM 2049 HG21 VAL B 133 -16.557 -15.202 1.145 1.00 0.00 H ATOM 2050 HG22 VAL B 133 -15.112 -16.066 1.719 1.00 0.00 H ATOM 2051 HG23 VAL B 133 -15.516 -14.467 2.387 1.00 0.00 H ATOM 2052 N VAL B 134 -12.751 -12.206 -0.502 1.00 27.33 N ATOM 2053 CA VAL B 134 -12.189 -11.324 -1.544 1.00 32.03 C ATOM 2054 C VAL B 134 -10.678 -11.352 -1.364 1.00 18.92 C ATOM 2055 O VAL B 134 -9.963 -11.404 -2.351 1.00 56.52 O ATOM 2056 CB VAL B 134 -12.814 -9.933 -1.399 1.00 33.80 C ATOM 2057 CG1 VAL B 134 -11.840 -8.810 -1.115 1.00 51.05 C ATOM 2058 CG2 VAL B 134 -13.829 -9.569 -2.494 1.00 32.53 C ATOM 2059 H VAL B 134 -13.318 -11.761 0.206 1.00 0.00 H ATOM 2060 HA VAL B 134 -12.522 -11.662 -2.525 1.00 0.00 H ATOM 2061 HB VAL B 134 -13.683 -9.991 -0.743 1.00 0.00 H ATOM 2062 HG11 VAL B 134 -12.384 -7.869 -1.031 1.00 0.00 H ATOM 2063 HG12 VAL B 134 -11.315 -9.011 -0.181 1.00 0.00 H ATOM 2064 HG13 VAL B 134 -11.118 -8.740 -1.929 1.00 0.00 H ATOM 2065 HG21 VAL B 134 -14.219 -8.568 -2.310 1.00 0.00 H ATOM 2066 HG22 VAL B 134 -13.339 -9.594 -3.467 1.00 0.00 H ATOM 2067 HG23 VAL B 134 -14.650 -10.286 -2.482 1.00 0.00 H ATOM 2068 N ALA B 135 -10.246 -11.395 -0.115 1.00 33.64 N ATOM 2069 CA ALA B 135 -8.856 -11.606 0.279 1.00 19.34 C ATOM 2070 C ALA B 135 -8.309 -12.905 -0.263 1.00 15.03 C ATOM 2071 O ALA B 135 -7.150 -12.964 -0.645 1.00 20.77 O ATOM 2072 CB ALA B 135 -8.707 -11.725 1.803 1.00 24.59 C ATOM 2073 H ALA B 135 -10.896 -11.277 0.649 1.00 0.00 H ATOM 2074 HA ALA B 135 -8.234 -10.819 -0.147 1.00 0.00 H ATOM 2075 HB1 ALA B 135 -7.658 -11.881 2.055 1.00 0.00 H ATOM 2076 HB2 ALA B 135 -9.061 -10.809 2.276 1.00 0.00 H ATOM 2077 HB3 ALA B 135 -9.296 -12.569 2.161 1.00 0.00 H ATOM 2078 N GLY B 136 -9.137 -13.895 -0.225 1.00 22.54 N ATOM 2079 CA GLY B 136 -8.595 -15.188 -0.435 1.00 10.46 C ATOM 2080 C GLY B 136 -8.397 -15.187 -1.922 1.00 15.79 C ATOM 2081 O GLY B 136 -7.390 -15.682 -2.450 1.00 32.96 O ATOM 2082 H GLY B 136 -10.118 -13.727 -0.052 1.00 0.00 H ATOM 2083 HA2 GLY B 136 -7.665 -15.288 0.125 1.00 0.00 H ATOM 2084 HA3 GLY B 136 -9.306 -15.940 -0.094 1.00 0.00 H ATOM 2085 N VAL B 137 -9.373 -14.517 -2.508 1.00 22.04 N ATOM 2086 CA VAL B 137 -9.351 -14.522 -3.962 1.00 44.08 C ATOM 2087 C VAL B 137 -8.168 -13.697 -4.456 1.00 24.69 C ATOM 2088 O VAL B 137 -7.521 -14.210 -5.377 1.00 31.43 O ATOM 2089 CB VAL B 137 -10.744 -14.191 -4.590 1.00 53.08 C ATOM 2090 CG1 VAL B 137 -10.761 -13.996 -6.126 1.00 27.46 C ATOM 2091 CG2 VAL B 137 -11.713 -15.326 -4.243 1.00 37.68 C ATOM 2092 H VAL B 137 -10.069 -14.046 -1.948 1.00 0.00 H ATOM 2093 HA VAL B 137 -9.460 -15.544 -4.324 1.00 0.00 H ATOM 2094 HB VAL B 137 -11.139 -13.280 -4.140 1.00 0.00 H ATOM 2095 HG11 VAL B 137 -11.776 -13.771 -6.453 1.00 0.00 H ATOM 2096 HG12 VAL B 137 -10.102 -13.171 -6.395 1.00 0.00 H ATOM 2097 HG13 VAL B 137 -10.417 -14.909 -6.612 1.00 0.00 H ATOM 2098 HG21 VAL B 137 -12.692 -15.113 -4.673 1.00 0.00 H ATOM 2099 HG22 VAL B 137 -11.335 -16.264 -4.649 1.00 0.00 H ATOM 2100 HG23 VAL B 137 -11.803 -15.409 -3.160 1.00 0.00 H ATOM 2101 N ALA B 138 -7.905 -12.486 -3.870 1.00 25.52 N ATOM 2102 CA ALA B 138 -6.768 -11.627 -4.307 1.00 23.24 C ATOM 2103 C ALA B 138 -5.457 -12.365 -4.036 1.00 23.40 C ATOM 2104 O ALA B 138 -4.468 -12.292 -4.763 1.00 41.99 O ATOM 2105 CB ALA B 138 -6.692 -10.306 -3.571 1.00 16.63 C ATOM 2106 H ALA B 138 -8.490 -12.151 -3.118 1.00 0.00 H ATOM 2107 HA ALA B 138 -6.850 -11.432 -5.376 1.00 0.00 H ATOM 2108 HB1 ALA B 138 -5.842 -9.732 -3.940 1.00 0.00 H ATOM 2109 HB2 ALA B 138 -7.610 -9.743 -3.739 1.00 0.00 H ATOM 2110 HB3 ALA B 138 -6.570 -10.491 -2.504 1.00 0.00 H ATOM 2111 N ASN B 139 -5.454 -13.142 -3.021 1.00 35.32 N ATOM 2112 CA ASN B 139 -4.236 -13.834 -2.701 1.00 28.89 C ATOM 2113 C ASN B 139 -3.995 -15.029 -3.645 1.00 73.97 C ATOM 2114 O ASN B 139 -2.848 -15.449 -3.861 1.00 37.90 O ATOM 2115 CB ASN B 139 -4.373 -14.218 -1.221 1.00 36.09 C ATOM 2116 CG ASN B 139 -4.118 -12.976 -0.347 1.00 80.98 C ATOM 2117 OD1 ASN B 139 -3.142 -12.239 -0.518 1.00 53.79 O ATOM 2118 ND2 ASN B 139 -4.972 -12.805 0.630 1.00 64.05 N ATOM 2119 H ASN B 139 -6.292 -13.256 -2.470 1.00 0.00 H ATOM 2120 HA ASN B 139 -3.403 -13.131 -2.718 1.00 0.00 H ATOM 2121 HB2 ASN B 139 -5.379 -14.595 -1.034 1.00 0.00 H ATOM 2122 HB3 ASN B 139 -3.645 -14.991 -0.977 1.00 0.00 H ATOM 2123 HD22 ASN B 139 -4.877 -12.014 1.251 1.00 0.00 H ATOM 2124 HD21 ASN B 139 -5.726 -13.464 0.763 1.00 0.00 H ATOM 2125 N ALA B 140 -5.090 -15.545 -4.218 1.00 64.94 N ATOM 2126 CA ALA B 140 -4.973 -16.758 -5.050 1.00 22.66 C ATOM 2127 C ALA B 140 -4.462 -16.398 -6.439 1.00 29.22 C ATOM 2128 O ALA B 140 -3.615 -17.064 -7.046 1.00 43.42 O ATOM 2129 CB ALA B 140 -6.285 -17.518 -5.104 1.00 52.27 C ATOM 2130 H ALA B 140 -5.988 -15.104 -4.079 1.00 0.00 H ATOM 2131 HA ALA B 140 -4.346 -17.490 -4.540 1.00 0.00 H ATOM 2132 HB1 ALA B 140 -6.166 -18.406 -5.725 1.00 0.00 H ATOM 2133 HB2 ALA B 140 -6.575 -17.816 -4.096 1.00 0.00 H ATOM 2134 HB3 ALA B 140 -7.058 -16.879 -5.530 1.00 0.00 H ATOM 2135 N LEU B 141 -4.966 -15.334 -6.929 1.00 29.42 N ATOM 2136 CA LEU B 141 -4.519 -14.856 -8.207 1.00 18.25 C ATOM 2137 C LEU B 141 -3.090 -14.355 -8.118 1.00 23.92 C ATOM 2138 O LEU B 141 -2.375 -14.354 -9.115 1.00 36.38 O ATOM 2139 CB LEU B 141 -5.318 -13.584 -8.457 1.00 28.17 C ATOM 2140 CG LEU B 141 -6.726 -13.681 -8.957 1.00 30.57 C ATOM 2141 CD1 LEU B 141 -7.433 -12.477 -8.352 1.00 41.80 C ATOM 2142 CD2 LEU B 141 -6.737 -13.682 -10.497 1.00 27.01 C ATOM 2143 H LEU B 141 -5.677 -14.830 -6.418 1.00 0.00 H ATOM 2144 HA LEU B 141 -4.407 -15.697 -8.891 1.00 0.00 H ATOM 2145 HB2 LEU B 141 -5.403 -13.019 -7.529 1.00 0.00 H ATOM 2146 HB3 LEU B 141 -4.810 -12.977 -9.206 1.00 0.00 H ATOM 2147 HG LEU B 141 -7.156 -14.635 -8.651 1.00 0.00 H ATOM 2148 HD11 LEU B 141 -8.476 -12.470 -8.669 1.00 0.00 H ATOM 2149 HD12 LEU B 141 -7.384 -12.535 -7.265 1.00 0.00 H ATOM 2150 HD13 LEU B 141 -6.946 -11.562 -8.689 1.00 0.00 H ATOM 2151 HD21 LEU B 141 -7.765 -13.753 -10.853 1.00 0.00 H ATOM 2152 HD22 LEU B 141 -6.288 -12.759 -10.865 1.00 0.00 H ATOM 2153 HD23 LEU B 141 -6.166 -14.535 -10.864 1.00 0.00 H ATOM 2154 N ALA B 142 -2.720 -13.812 -6.962 1.00 24.00 N ATOM 2155 CA ALA B 142 -1.393 -13.172 -6.983 1.00 22.23 C ATOM 2156 C ALA B 142 -0.325 -14.210 -6.624 1.00 26.33 C ATOM 2157 O ALA B 142 0.826 -13.930 -6.326 1.00 31.11 O ATOM 2158 CB ALA B 142 -1.374 -12.048 -5.983 1.00 35.02 C ATOM 2159 H ALA B 142 -3.334 -13.860 -6.162 1.00 0.00 H ATOM 2160 HA ALA B 142 -1.198 -12.772 -7.978 1.00 0.00 H ATOM 2161 HB1 ALA B 142 -0.395 -11.569 -5.992 1.00 0.00 H ATOM 2162 HB2 ALA B 142 -2.138 -11.316 -6.244 1.00 0.00 H ATOM 2163 HB3 ALA B 142 -1.575 -12.443 -4.987 1.00 0.00 H ATOM 2164 N HIS B 143 -0.713 -15.433 -6.673 1.00 78.63 N ATOM 2165 CA HIS B 143 0.242 -16.411 -6.198 1.00 37.91 C ATOM 2166 C HIS B 143 1.271 -16.835 -7.260 1.00 37.44 C ATOM 2167 O HIS B 143 2.250 -17.508 -6.923 1.00 45.55 O ATOM 2168 CB HIS B 143 -0.564 -17.617 -5.850 1.00 17.60 C ATOM 2169 CG HIS B 143 0.221 -18.600 -4.995 1.00 44.19 C ATOM 2170 ND1 HIS B 143 0.499 -18.316 -3.649 1.00 72.97 N ATOM 2171 CD2 HIS B 143 0.750 -19.820 -5.346 1.00 43.62 C ATOM 2172 CE1 HIS B 143 1.221 -19.396 -3.151 1.00 84.08 C ATOM 2173 NE2 HIS B 143 1.373 -20.315 -4.188 1.00 82.17 N ATOM 2174 H HIS B 143 -1.632 -15.657 -7.027 1.00 0.00 H ATOM 2175 HA HIS B 143 0.828 -15.982 -5.385 1.00 0.00 H ATOM 2176 HB2 HIS B 143 -1.450 -17.314 -5.293 1.00 0.00 H ATOM 2177 HB3 HIS B 143 -0.867 -18.128 -6.764 1.00 0.00 H ATOM 2178 HD1 HIS B 143 0.177 -17.451 -3.238 1.00 0.00 H ATOM 2179 HD2 HIS B 143 0.629 -20.192 -6.353 1.00 0.00 H ATOM 2180 HE1 HIS B 143 1.548 -19.398 -2.122 1.00 0.00 H ATOM 2181 N LYS B 144 1.118 -16.437 -8.525 1.00 66.55 N ATOM 2182 CA LYS B 144 2.183 -16.877 -9.422 1.00 38.59 C ATOM 2183 C LYS B 144 3.218 -15.772 -9.643 1.00 67.80 C ATOM 2184 O LYS B 144 3.880 -15.777 -10.682 1.00 54.79 O ATOM 2185 CB LYS B 144 1.610 -17.467 -10.712 1.00 21.85 C ATOM 2186 CG LYS B 144 2.419 -18.743 -11.089 1.00 98.22 C ATOM 2187 CD LYS B 144 3.728 -18.883 -10.254 1.00 98.11 C ATOM 2188 CE LYS B 144 4.536 -20.200 -10.393 1.00 78.54 C ATOM 2189 NZ LYS B 144 5.600 -20.232 -9.354 1.00 52.55 N1+ ATOM 2190 H LYS B 144 0.316 -15.881 -8.786 1.00 0.00 H ATOM 2191 HA LYS B 144 2.586 -17.827 -9.070 1.00 0.00 H ATOM 2192 HB2 LYS B 144 0.563 -17.728 -10.559 1.00 0.00 H ATOM 2193 HB3 LYS B 144 1.688 -16.733 -11.514 1.00 0.00 H ATOM 2194 HG2 LYS B 144 1.808 -19.628 -10.909 1.00 0.00 H ATOM 2195 HG3 LYS B 144 2.695 -18.701 -12.143 1.00 0.00 H ATOM 2196 HD2 LYS B 144 4.423 -18.091 -10.532 1.00 0.00 H ATOM 2197 HD3 LYS B 144 3.493 -18.803 -9.193 1.00 0.00 H ATOM 2198 HE2 LYS B 144 3.869 -21.052 -10.260 1.00 0.00 H ATOM 2199 HE3 LYS B 144 4.990 -20.246 -11.383 1.00 0.00 H ATOM 2200 HZ1 LYS B 144 6.129 -21.088 -9.440 1.00 0.00 H ATOM 2201 HZ2 LYS B 144 6.216 -19.441 -9.478 1.00 0.00 H ATOM 2202 HZ3 LYS B 144 5.178 -20.188 -8.438 1.00 0.00 H ATOM 2203 N TYR B 145 3.365 -14.888 -8.663 1.00 63.82 N ATOM 2204 CA TYR B 145 4.264 -13.696 -8.709 1.00 30.44 C ATOM 2205 C TYR B 145 5.525 -13.990 -7.898 1.00 70.30 C ATOM 2206 O TYR B 145 6.447 -13.169 -7.763 1.00 50.54 O ATOM 2207 CB TYR B 145 3.469 -12.568 -8.024 1.00 61.34 C ATOM 2208 CG TYR B 145 2.712 -11.676 -9.014 1.00 58.73 C ATOM 2209 CD1 TYR B 145 3.504 -10.992 -9.903 1.00100.00 C ATOM 2210 CD2 TYR B 145 1.333 -11.514 -9.051 1.00 44.34 C ATOM 2211 CE1 TYR B 145 2.963 -10.166 -10.860 1.00100.00 C ATOM 2212 CE2 TYR B 145 0.770 -10.656 -10.038 1.00 33.31 C ATOM 2213 CZ TYR B 145 1.608 -9.999 -10.946 1.00 28.14 C ATOM 2214 OH TYR B 145 1.115 -9.336 -12.047 1.00 50.39 O ATOM 2215 H TYR B 145 2.845 -14.996 -7.804 1.00 0.00 H ATOM 2216 HA TYR B 145 4.576 -13.515 -9.738 1.00 0.00 H ATOM 2217 HB2 TYR B 145 2.735 -13.001 -7.344 1.00 0.00 H ATOM 2218 HB3 TYR B 145 4.152 -11.930 -7.463 1.00 0.00 H ATOM 2219 HD1 TYR B 145 4.578 -11.096 -9.860 1.00 0.00 H ATOM 2220 HD2 TYR B 145 0.709 -12.034 -8.339 1.00 0.00 H ATOM 2221 HE1 TYR B 145 3.609 -9.644 -11.550 1.00 0.00 H ATOM 2222 HE2 TYR B 145 -0.300 -10.514 -10.084 1.00 0.00 H ATOM 2223 HH TYR B 145 0.158 -9.285 -11.989 1.00 0.00 H ATOM 2224 N HIS B 146 5.469 -15.200 -7.382 1.00 63.06 N ATOM 2225 CA HIS B 146 6.371 -15.895 -6.456 1.00 66.69 C ATOM 2226 C HIS B 146 7.245 -16.951 -7.152 1.00100.00 C ATOM 2227 O HIS B 146 6.745 -18.060 -7.472 1.00 53.02 O ATOM 2228 CB HIS B 146 5.486 -16.714 -5.544 1.00 52.90 C ATOM 2229 CG HIS B 146 4.415 -15.978 -4.745 1.00 69.42 C ATOM 2230 ND1 HIS B 146 3.661 -14.937 -5.266 1.00 68.47 N ATOM 2231 CD2 HIS B 146 4.028 -16.211 -3.443 1.00 80.98 C ATOM 2232 CE1 HIS B 146 2.793 -14.507 -4.264 1.00 91.32 C ATOM 2233 NE2 HIS B 146 3.021 -15.298 -3.142 1.00100.00 N ATOM 2234 OXT HIS B 146 8.444 -16.674 -7.291 1.00 90.60 O1- ATOM 2235 H HIS B 146 4.703 -15.814 -7.617 1.00 0.00 H ATOM 2236 HA HIS B 146 7.119 -15.196 -6.083 1.00 0.00 H ATOM 2237 HB2 HIS B 146 4.944 -17.455 -6.132 1.00 0.00 H ATOM 2238 HB3 HIS B 146 6.100 -17.220 -4.799 1.00 0.00 H ATOM 2239 HD1 HIS B 146 3.808 -14.634 -6.218 1.00 0.00 H ATOM 2240 HD2 HIS B 146 4.503 -16.994 -2.870 1.00 0.00 H ATOM 2241 HE1 HIS B 146 2.111 -13.691 -4.454 1.00 0.00 H TER 2242 HIS B 146 HETATM 2243 CHA HEM B 147 -8.974 -10.980 -17.808 1.00 23.49 C HETATM 2244 CHB HEM B 147 -10.866 -12.443 -13.646 1.00 43.23 C HETATM 2245 CHC HEM B 147 -8.496 -8.747 -11.542 1.00 24.57 C HETATM 2246 CHD HEM B 147 -7.174 -7.009 -15.804 1.00 8.95 C HETATM 2247 C1A HEM B 147 -9.696 -11.667 -16.868 1.00 28.88 C HETATM 2248 C2A HEM B 147 -10.544 -12.789 -17.208 1.00 41.04 C HETATM 2249 C3A HEM B 147 -11.091 -13.238 -16.038 1.00 28.72 C HETATM 2250 C4A HEM B 147 -10.585 -12.356 -15.003 1.00 51.22 C HETATM 2251 CMA HEM B 147 -12.330 -14.062 -15.876 1.00 18.38 C HETATM 2252 CAA HEM B 147 -10.545 -13.398 -18.583 1.00 27.74 C HETATM 2253 CBA HEM B 147 -10.977 -14.845 -18.744 1.00 75.20 C HETATM 2254 CGA HEM B 147 -10.690 -15.256 -20.189 1.00 45.49 C HETATM 2255 O1A HEM B 147 -11.102 -16.368 -20.544 1.00 51.86 O HETATM 2256 O2A HEM B 147 -10.073 -14.466 -20.922 1.00 48.20 O1- HETATM 2257 C1B HEM B 147 -10.325 -11.542 -12.728 1.00 13.62 C HETATM 2258 C2B HEM B 147 -10.575 -11.626 -11.348 1.00 23.32 C HETATM 2259 C3B HEM B 147 -9.902 -10.581 -10.759 1.00 41.62 C HETATM 2260 C4B HEM B 147 -9.252 -9.885 -11.803 1.00 39.98 C HETATM 2261 CMB HEM B 147 -11.565 -12.607 -10.800 1.00 33.04 C HETATM 2262 CAB HEM B 147 -9.604 -10.221 -9.337 1.00 42.42 C HETATM 2263 CBB HEM B 147 -10.263 -10.794 -8.261 1.00 60.06 C HETATM 2264 C1C HEM B 147 -8.000 -7.933 -12.535 1.00 25.95 C HETATM 2265 C2C HEM B 147 -7.501 -6.610 -12.285 1.00 14.93 C HETATM 2266 C3C HEM B 147 -7.120 -6.109 -13.477 1.00 30.17 C HETATM 2267 C4C HEM B 147 -7.419 -7.128 -14.454 1.00 16.41 C HETATM 2268 CMC HEM B 147 -7.318 -5.951 -10.945 1.00 23.42 C HETATM 2269 CAC HEM B 147 -6.101 -5.032 -13.642 1.00 28.53 C HETATM 2270 CBC HEM B 147 -6.496 -3.737 -13.886 1.00 42.02 C HETATM 2271 C1D HEM B 147 -7.537 -7.966 -16.707 1.00 21.31 C HETATM 2272 C2D HEM B 147 -7.414 -7.826 -18.136 1.00 41.73 C HETATM 2273 C3D HEM B 147 -7.866 -8.972 -18.662 1.00 29.02 C HETATM 2274 C4D HEM B 147 -8.301 -9.806 -17.587 1.00 15.83 C HETATM 2275 CMD HEM B 147 -7.251 -6.556 -18.932 1.00 66.41 C HETATM 2276 CAD HEM B 147 -8.141 -9.169 -20.116 1.00 39.04 C HETATM 2277 CBD HEM B 147 -7.523 -10.481 -20.537 1.00 58.13 C HETATM 2278 CGD HEM B 147 -7.393 -10.520 -22.042 1.00 96.98 C HETATM 2279 O1D HEM B 147 -6.241 -10.375 -22.465 1.00 97.09 O HETATM 2280 O2D HEM B 147 -8.404 -10.670 -22.743 1.00 83.04 O1- HETATM 2281 NA HEM B 147 -9.803 -11.343 -15.535 1.00 35.08 N1- HETATM 2282 NB HEM B 147 -9.487 -10.494 -13.026 1.00 30.59 N HETATM 2283 NC HEM B 147 -8.072 -8.198 -13.879 1.00 41.17 N1- HETATM 2284 ND HEM B 147 -8.157 -9.141 -16.400 1.00 26.51 N HETATM 2285 FE HEM B 147 -9.005 -9.799 -14.774 1.00 36.73 Fe2+ HETATM 2286 HHA HEM B 147 -8.903 -11.358 -18.817 1.00 0.00 H HETATM 2287 HHB HEM B 147 -11.517 -13.222 -13.278 1.00 0.00 H HETATM 2288 HHC HEM B 147 -8.274 -8.468 -10.522 1.00 0.00 H HETATM 2289 HHD HEM B 147 -6.675 -6.131 -16.187 1.00 0.00 H HETATM 2290 HMA1 HEM B 147 -12.502 -14.257 -14.817 1.00 0.00 H HETATM 2291 HMA2 HEM B 147 -13.182 -13.522 -16.289 1.00 0.00 H HETATM 2292 HMA3 HEM B 147 -12.209 -15.008 -16.404 1.00 0.00 H HETATM 2293 HAA1 HEM B 147 -11.220 -12.837 -19.229 1.00 0.00 H HETATM 2294 HAA2 HEM B 147 -9.537 -13.365 -18.996 1.00 0.00 H HETATM 2295 HBA1 HEM B 147 -10.414 -15.472 -18.052 1.00 0.00 H HETATM 2296 HBA2 HEM B 147 -12.042 -14.933 -18.529 1.00 0.00 H HETATM 2297 H1B HEM B 147 -9.726 -10.800 -13.256 1.00 0.00 H HETATM 2298 HMB1 HEM B 147 -11.610 -12.511 -9.715 1.00 0.00 H HETATM 2299 HMB2 HEM B 147 -12.549 -12.405 -11.223 1.00 0.00 H HETATM 2300 HMB3 HEM B 147 -11.258 -13.619 -11.063 1.00 0.00 H HETATM 2301 HAB HEM B 147 -8.846 -9.485 -9.114 1.00 0.00 H HETATM 2302 HBB1 HEM B 147 -10.010 -10.499 -7.253 1.00 0.00 H HETATM 2303 HBB2 HEM B 147 -11.030 -11.536 -8.430 1.00 0.00 H HETATM 2304 HMC1 HEM B 147 -6.921 -4.946 -11.085 1.00 0.00 H HETATM 2305 HMC2 HEM B 147 -8.279 -5.894 -10.433 1.00 0.00 H HETATM 2306 HMC3 HEM B 147 -6.621 -6.536 -10.344 1.00 0.00 H HETATM 2307 HAC HEM B 147 -5.050 -5.268 -13.570 1.00 0.00 H HETATM 2308 HBC1 HEM B 147 -5.755 -2.960 -14.005 1.00 0.00 H HETATM 2309 HBC2 HEM B 147 -7.547 -3.497 -13.959 1.00 0.00 H HETATM 2310 H4D HEM B 147 -7.980 -9.761 -16.546 1.00 0.00 H HETATM 2311 HMD1 HEM B 147 -7.187 -6.797 -19.993 1.00 0.00 H HETATM 2312 HMD2 HEM B 147 -8.108 -5.906 -18.759 1.00 0.00 H HETATM 2313 HMD3 HEM B 147 -6.340 -6.046 -18.620 1.00 0.00 H HETATM 2314 HAD1 HEM B 147 -9.218 -9.191 -20.283 1.00 0.00 H HETATM 2315 HAD2 HEM B 147 -7.702 -8.348 -20.684 1.00 0.00 H HETATM 2316 HBD1 HEM B 147 -6.536 -10.580 -20.086 1.00 0.00 H HETATM 2317 HBD2 HEM B 147 -8.157 -11.304 -20.207 1.00 0.00 H HETATM 2318 HNB HEM B 147 -9.952 -11.390 -13.063 1.00 0.00 H HETATM 2319 HND HEM B 147 -8.235 -9.868 -17.097 1.00 0.00 H CONECT 2243 2247 2274 2286 CONECT 2243 2247 CONECT 2244 2250 2257 2287 CONECT 2244 2250 CONECT 2245 2260 2264 2288 CONECT 2245 2260 CONECT 2246 2267 2271 2289 CONECT 2246 2271 CONECT 2247 2243 2248 2281 CONECT 2247 2243 CONECT 2248 2247 2249 2252 CONECT 2248 2249 CONECT 2249 2248 2250 2251 CONECT 2249 2248 CONECT 2250 2244 2249 2281 CONECT 2250 2244 CONECT 2251 2249 2290 2291 2292 CONECT 2252 2248 2253 2293 2294 CONECT 2253 2252 2254 2295 2296 CONECT 2254 2253 2255 2256 CONECT 2254 2255 CONECT 2255 2254 CONECT 2255 2254 CONECT 2256 2254 CONECT 2257 2244 2258 2282 2297 CONECT 2258 2257 2259 2261 CONECT 2258 2259 CONECT 2259 2258 2260 2262 CONECT 2259 2258 CONECT 2260 2245 2259 2282 CONECT 2260 2245 CONECT 2261 2258 2298 2299 2300 CONECT 2262 2259 2263 2301 CONECT 2262 2263 CONECT 2263 2262 2302 2303 CONECT 2263 2262 CONECT 2264 2245 2265 2283 CONECT 2264 2265 CONECT 2265 2264 2266 2268 CONECT 2265 2264 CONECT 2266 2265 2267 2269 CONECT 2266 2267 CONECT 2267 2246 2266 2283 CONECT 2267 2266 CONECT 2268 2265 2304 2305 2306 CONECT 2269 2266 2270 2307 CONECT 2269 2270 CONECT 2270 2269 2308 2309 CONECT 2270 2269 CONECT 2271 2246 2272 2284 CONECT 2271 2246 CONECT 2272 2271 2273 2275 CONECT 2272 2273 CONECT 2273 2272 2274 2276 CONECT 2273 2272 CONECT 2274 2243 2273 2284 2310 CONECT 2275 2272 2311 2312 2313 CONECT 2276 2273 2277 2314 2315 CONECT 2277 2276 2278 2316 2317 CONECT 2278 2277 2279 2280 CONECT 2278 2279 CONECT 2279 2278 CONECT 2279 2278 CONECT 2280 2278 CONECT 2281 2247 2250 2285 CONECT 2282 2257 2260 2285 2318 CONECT 2283 2264 2267 2285 CONECT 2284 2271 2274 2285 2319 CONECT 2285 2281 2282 2283 2284 CONECT 2286 2243 CONECT 2287 2244 CONECT 2288 2245 CONECT 2289 2246 CONECT 2290 2251 CONECT 2291 2251 CONECT 2292 2251 CONECT 2293 2252 CONECT 2294 2252 CONECT 2295 2253 CONECT 2296 2253 CONECT 2297 2257 CONECT 2298 2261 CONECT 2299 2261 CONECT 2300 2261 CONECT 2301 2262 CONECT 2302 2263 CONECT 2303 2263 CONECT 2304 2268 CONECT 2305 2268 CONECT 2306 2268 CONECT 2307 2269 CONECT 2308 2270 CONECT 2309 2270 CONECT 2310 2274 CONECT 2311 2275 CONECT 2312 2275 CONECT 2313 2275 CONECT 2314 2276 CONECT 2315 2276 CONECT 2316 2277 CONECT 2317 2277 CONECT 2318 2282 CONECT 2319 2284 ENDMDL END