USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 801 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN : amide:sc= -5.17! C(o=-5.2!,f=-7.9!) USER MOD Single : A 11 THR OG1 : rot -147:sc= -6.97! USER MOD Single : A 14 HIS : no HE2:sc= -11.5! C(o=-11!,f=-8.9!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0226 USER MOD Single : A 43 TYR OH : rot -15:sc= -0.0101 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0595 K(o=-0.06,f=-1.1!) USER MOD Single : A 58 THR OG1 : rot -65:sc= 1.02 USER MOD Single : A 62 GLN : amide:sc= -0.736 K(o=-0.74,f=0) USER MOD Single : A 63 ASN : amide:sc= -0.948 K(o=-0.95,f=-0.22) USER MOD Single : A 64 GLN : amide:sc= -7.35! C(o=-7.4!,f=-13!) USER MOD Single : A 72 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.302) USER MOD Single : A 74 CYS SG : rot 76:sc= -0.513 USER MOD Single : A 80 LYS NZ :NH3+ 148:sc= -0.0327 (180deg=-0.675) USER MOD Single : A 84 THR OG1 : rot -130:sc= -4.18! USER MOD Single : A 91 THR OG1 : rot -58:sc= 0.896 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 55 N GLN A 5 3.527 31.577 -10.770 1.00 0.00 N ATOM 56 CA GLN A 5 2.107 31.774 -11.178 1.00 0.00 C ATOM 57 C GLN A 5 1.339 32.515 -10.077 1.00 0.00 C ATOM 58 O GLN A 5 1.916 33.003 -9.125 1.00 0.00 O ATOM 59 CB GLN A 5 1.549 30.363 -11.366 1.00 0.00 C ATOM 60 CG GLN A 5 1.787 29.909 -12.807 1.00 0.00 C ATOM 61 CD GLN A 5 0.452 29.852 -13.552 1.00 0.00 C ATOM 62 OE1 GLN A 5 0.029 30.830 -14.139 1.00 0.00 O ATOM 63 NE2 GLN A 5 -0.235 28.744 -13.552 1.00 0.00 N ATOM 0 HA GLN A 5 2.016 32.371 -12.085 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.031 29.674 -10.672 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.483 30.349 -11.140 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.466 30.598 -13.309 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.263 28.928 -12.817 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.120 27.924 -13.060 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.127 28.697 -14.044 1.00 0.00 H new ATOM 72 N VAL A 6 0.043 32.602 -10.198 1.00 0.00 N ATOM 73 CA VAL A 6 -0.758 33.308 -9.156 1.00 0.00 C ATOM 74 C VAL A 6 -1.878 32.398 -8.648 1.00 0.00 C ATOM 75 O VAL A 6 -2.408 31.588 -9.382 1.00 0.00 O ATOM 76 CB VAL A 6 -1.341 34.532 -9.860 1.00 0.00 C ATOM 77 CG1 VAL A 6 -2.442 34.090 -10.825 1.00 0.00 C ATOM 78 CG2 VAL A 6 -1.928 35.485 -8.816 1.00 0.00 C ATOM 0 H VAL A 6 -0.497 32.215 -10.972 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.155 33.587 -8.292 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.555 35.041 -10.418 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.858 34.963 -11.327 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.024 33.410 -11.567 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.230 33.581 -10.270 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.345 36.360 -9.315 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.715 34.975 -8.260 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.143 35.800 -8.128 1.00 0.00 H new ATOM 88 N VAL A 7 -2.236 32.517 -7.398 1.00 0.00 N ATOM 89 CA VAL A 7 -3.317 31.650 -6.846 1.00 0.00 C ATOM 90 C VAL A 7 -4.456 31.511 -7.858 1.00 0.00 C ATOM 91 O VAL A 7 -5.217 32.431 -8.082 1.00 0.00 O ATOM 92 CB VAL A 7 -3.810 32.362 -5.586 1.00 0.00 C ATOM 93 CG1 VAL A 7 -4.947 31.552 -4.958 1.00 0.00 C ATOM 94 CG2 VAL A 7 -2.658 32.482 -4.585 1.00 0.00 C ATOM 0 H VAL A 7 -1.827 33.176 -6.736 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.957 30.645 -6.628 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.171 33.357 -5.847 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.300 32.057 -4.059 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.767 31.463 -5.671 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.584 30.558 -4.696 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.008 32.990 -3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.298 31.487 -4.323 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.846 33.055 -5.032 1.00 0.00 H new ATOM 104 N LEU A 8 -4.576 30.366 -8.470 1.00 0.00 N ATOM 105 CA LEU A 8 -5.664 30.163 -9.467 1.00 0.00 C ATOM 106 C LEU A 8 -7.029 30.280 -8.786 1.00 0.00 C ATOM 107 O LEU A 8 -7.127 30.220 -7.577 1.00 0.00 O ATOM 108 CB LEU A 8 -5.449 28.744 -9.996 1.00 0.00 C ATOM 109 CG LEU A 8 -4.518 28.778 -11.212 1.00 0.00 C ATOM 110 CD1 LEU A 8 -3.332 29.705 -10.933 1.00 0.00 C ATOM 111 CD2 LEU A 8 -4.003 27.365 -11.492 1.00 0.00 C ATOM 0 H LEU A 8 -3.967 29.561 -8.323 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.642 30.905 -10.265 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.019 28.116 -9.215 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.406 28.300 -10.271 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.067 29.149 -12.077 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.674 29.725 -11.801 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.697 30.712 -10.731 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.780 29.339 -10.067 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.340 27.384 -12.357 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.456 26.998 -10.623 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.846 26.704 -11.696 1.00 0.00 H new ATOM 123 N PRO A 9 -8.042 30.447 -9.591 1.00 0.00 N ATOM 124 CA PRO A 9 -9.421 30.577 -9.061 1.00 0.00 C ATOM 125 C PRO A 9 -9.933 29.223 -8.565 1.00 0.00 C ATOM 126 O PRO A 9 -10.330 29.077 -7.425 1.00 0.00 O ATOM 127 CB PRO A 9 -10.224 31.055 -10.268 1.00 0.00 C ATOM 128 CG PRO A 9 -9.452 30.582 -11.460 1.00 0.00 C ATOM 129 CD PRO A 9 -8.000 30.529 -11.055 1.00 0.00 C ATOM 0 HA PRO A 9 -9.492 31.257 -8.212 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.232 30.640 -10.261 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.326 32.140 -10.269 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.799 29.599 -11.779 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.592 31.258 -12.303 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.496 29.665 -11.489 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.460 31.415 -11.390 1.00 0.00 H new ATOM 137 N ASN A 10 -9.929 28.230 -9.411 1.00 0.00 N ATOM 138 CA ASN A 10 -10.418 26.887 -8.988 1.00 0.00 C ATOM 139 C ASN A 10 -9.844 25.803 -9.905 1.00 0.00 C ATOM 140 O ASN A 10 -10.467 24.790 -10.152 1.00 0.00 O ATOM 141 CB ASN A 10 -11.939 26.962 -9.123 1.00 0.00 C ATOM 142 CG ASN A 10 -12.510 27.807 -7.981 1.00 0.00 C ATOM 143 OD1 ASN A 10 -12.491 27.397 -6.839 1.00 0.00 O ATOM 144 ND2 ASN A 10 -13.018 28.981 -8.244 1.00 0.00 N ATOM 0 H ASN A 10 -9.608 28.290 -10.377 1.00 0.00 H new ATOM 0 HA ASN A 10 -10.113 26.634 -7.973 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -12.209 27.400 -10.084 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -12.367 25.960 -9.098 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -13.398 29.553 -7.490 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -13.034 29.326 -9.204 1.00 0.00 H new ATOM 151 N THR A 11 -8.658 26.010 -10.408 1.00 0.00 N ATOM 152 CA THR A 11 -8.038 24.995 -11.308 1.00 0.00 C ATOM 153 C THR A 11 -6.918 24.251 -10.574 1.00 0.00 C ATOM 154 O THR A 11 -6.535 24.610 -9.479 1.00 0.00 O ATOM 155 CB THR A 11 -7.466 25.799 -12.477 1.00 0.00 C ATOM 156 OG1 THR A 11 -6.395 26.605 -12.013 1.00 0.00 O ATOM 157 CG2 THR A 11 -8.556 26.692 -13.071 1.00 0.00 C ATOM 0 H THR A 11 -8.090 26.839 -10.235 1.00 0.00 H new ATOM 0 HA THR A 11 -8.756 24.245 -11.640 1.00 0.00 H new ATOM 0 HB THR A 11 -7.104 25.115 -13.244 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.368 27.440 -12.525 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.145 27.263 -13.903 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.379 26.073 -13.427 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.922 27.377 -12.306 1.00 0.00 H new ATOM 165 N ALA A 12 -6.390 23.217 -11.169 1.00 0.00 N ATOM 166 CA ALA A 12 -5.294 22.454 -10.503 1.00 0.00 C ATOM 167 C ALA A 12 -4.330 21.900 -11.555 1.00 0.00 C ATOM 168 O ALA A 12 -4.656 21.826 -12.720 1.00 0.00 O ATOM 169 CB ALA A 12 -5.998 21.315 -9.765 1.00 0.00 C ATOM 0 H ALA A 12 -6.669 22.867 -12.086 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.706 23.074 -9.826 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.258 20.705 -9.247 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.698 21.729 -9.040 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.540 20.698 -10.481 1.00 0.00 H new ATOM 175 N LEU A 13 -3.147 21.515 -11.161 1.00 0.00 N ATOM 176 CA LEU A 13 -2.178 20.970 -12.156 1.00 0.00 C ATOM 177 C LEU A 13 -1.591 19.644 -11.667 1.00 0.00 C ATOM 178 O LEU A 13 -1.551 19.376 -10.482 1.00 0.00 O ATOM 179 CB LEU A 13 -1.085 22.042 -12.290 1.00 0.00 C ATOM 180 CG LEU A 13 -0.099 21.975 -11.115 1.00 0.00 C ATOM 181 CD1 LEU A 13 1.306 22.311 -11.615 1.00 0.00 C ATOM 182 CD2 LEU A 13 -0.507 22.989 -10.048 1.00 0.00 C ATOM 0 H LEU A 13 -2.810 21.553 -10.199 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.653 20.761 -13.115 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.548 21.903 -13.228 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.543 23.030 -12.329 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.110 20.972 -10.689 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.009 22.264 -10.783 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.601 21.593 -12.380 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.311 23.315 -12.038 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.193 22.941 -9.214 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.495 23.992 -10.475 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.511 22.759 -9.692 1.00 0.00 H new ATOM 194 N HIS A 14 -1.131 18.817 -12.566 1.00 0.00 N ATOM 195 CA HIS A 14 -0.540 17.519 -12.142 1.00 0.00 C ATOM 196 C HIS A 14 0.984 17.661 -12.074 1.00 0.00 C ATOM 197 O HIS A 14 1.611 18.113 -13.008 1.00 0.00 O ATOM 198 CB HIS A 14 -0.917 16.498 -13.229 1.00 0.00 C ATOM 199 CG HIS A 14 -2.375 16.600 -13.616 1.00 0.00 C ATOM 200 ND1 HIS A 14 -3.026 15.557 -14.260 1.00 0.00 N ATOM 201 CD2 HIS A 14 -3.315 17.598 -13.487 1.00 0.00 C ATOM 202 CE1 HIS A 14 -4.294 15.945 -14.490 1.00 0.00 C ATOM 203 NE2 HIS A 14 -4.522 17.180 -14.039 1.00 0.00 N ATOM 0 H HIS A 14 -1.139 18.984 -13.572 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.904 17.208 -11.163 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.295 16.659 -14.110 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.706 15.491 -12.870 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -2.617 14.658 -14.513 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.142 18.560 -13.027 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.036 15.332 -14.980 1.00 0.00 H new ATOM 211 N LEU A 15 1.592 17.277 -10.989 1.00 0.00 N ATOM 212 CA LEU A 15 3.076 17.392 -10.909 1.00 0.00 C ATOM 213 C LEU A 15 3.671 16.040 -10.535 1.00 0.00 C ATOM 214 O LEU A 15 2.983 15.158 -10.059 1.00 0.00 O ATOM 215 CB LEU A 15 3.405 18.445 -9.839 1.00 0.00 C ATOM 216 CG LEU A 15 2.254 18.621 -8.846 1.00 0.00 C ATOM 217 CD1 LEU A 15 2.764 19.415 -7.647 1.00 0.00 C ATOM 218 CD2 LEU A 15 1.113 19.393 -9.510 1.00 0.00 C ATOM 0 H LEU A 15 1.134 16.893 -10.162 1.00 0.00 H new ATOM 0 HA LEU A 15 3.498 17.693 -11.868 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.307 18.149 -9.302 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.619 19.399 -10.321 1.00 0.00 H new ATOM 0 HG LEU A 15 1.889 17.645 -8.527 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.955 19.549 -6.929 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.583 18.873 -7.174 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.119 20.390 -7.981 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.295 19.516 -8.800 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.471 20.373 -9.824 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.758 18.841 -10.380 1.00 0.00 H new ATOM 230 N LYS A 16 4.939 15.862 -10.762 1.00 0.00 N ATOM 231 CA LYS A 16 5.566 14.554 -10.437 1.00 0.00 C ATOM 232 C LYS A 16 6.573 14.697 -9.298 1.00 0.00 C ATOM 233 O LYS A 16 7.562 15.398 -9.415 1.00 0.00 O ATOM 234 CB LYS A 16 6.276 14.124 -11.720 1.00 0.00 C ATOM 235 CG LYS A 16 5.816 12.717 -12.106 1.00 0.00 C ATOM 236 CD LYS A 16 6.394 12.340 -13.472 1.00 0.00 C ATOM 237 CE LYS A 16 7.922 12.297 -13.388 1.00 0.00 C ATOM 238 NZ LYS A 16 8.319 11.157 -14.261 1.00 0.00 N ATOM 0 H LYS A 16 5.567 16.562 -11.157 1.00 0.00 H new ATOM 0 HA LYS A 16 4.826 13.825 -10.108 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.054 14.825 -12.525 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.356 14.138 -11.574 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.140 11.999 -11.353 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.727 12.676 -12.138 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.009 11.370 -13.786 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.081 13.065 -14.223 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.364 13.232 -13.733 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.258 12.145 -12.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.355 11.061 -14.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.889 10.280 -13.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.991 11.333 -15.232 1.00 0.00 H new ATOM 252 N ALA A 17 6.338 14.023 -8.204 1.00 0.00 N ATOM 253 CA ALA A 17 7.294 14.102 -7.068 1.00 0.00 C ATOM 254 C ALA A 17 8.541 13.298 -7.419 1.00 0.00 C ATOM 255 O ALA A 17 8.507 12.087 -7.570 1.00 0.00 O ATOM 256 CB ALA A 17 6.570 13.500 -5.866 1.00 0.00 C ATOM 0 H ALA A 17 5.527 13.424 -8.050 1.00 0.00 H new ATOM 0 HA ALA A 17 7.608 15.123 -6.851 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.224 13.529 -4.995 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.666 14.074 -5.661 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.302 12.466 -6.083 1.00 0.00 H new ATOM 262 N LEU A 18 9.630 13.983 -7.576 1.00 0.00 N ATOM 263 CA LEU A 18 10.906 13.321 -7.948 1.00 0.00 C ATOM 264 C LEU A 18 11.863 13.280 -6.751 1.00 0.00 C ATOM 265 O LEU A 18 12.439 14.277 -6.365 1.00 0.00 O ATOM 266 CB LEU A 18 11.453 14.204 -9.071 1.00 0.00 C ATOM 267 CG LEU A 18 12.975 14.130 -9.118 1.00 0.00 C ATOM 268 CD1 LEU A 18 13.447 14.100 -10.572 1.00 0.00 C ATOM 269 CD2 LEU A 18 13.529 15.366 -8.425 1.00 0.00 C ATOM 0 H LEU A 18 9.693 14.994 -7.460 1.00 0.00 H new ATOM 0 HA LEU A 18 10.778 12.284 -8.257 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.038 13.885 -10.027 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.138 15.236 -8.916 1.00 0.00 H new ATOM 0 HG LEU A 18 13.325 13.226 -8.619 1.00 0.00 H new ATOM 0 HD11 LEU A 18 14.535 14.047 -10.600 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.028 13.227 -11.073 1.00 0.00 H new ATOM 0 HD13 LEU A 18 13.114 15.005 -11.081 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.618 15.337 -8.445 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.180 16.260 -8.942 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.186 15.388 -7.391 1.00 0.00 H new ATOM 281 N LEU A 19 12.038 12.126 -6.175 1.00 0.00 N ATOM 282 CA LEU A 19 12.961 11.994 -5.015 1.00 0.00 C ATOM 283 C LEU A 19 13.242 10.514 -4.738 1.00 0.00 C ATOM 284 O LEU A 19 12.390 9.667 -4.923 1.00 0.00 O ATOM 285 CB LEU A 19 12.226 12.632 -3.836 1.00 0.00 C ATOM 286 CG LEU A 19 13.230 13.401 -2.977 1.00 0.00 C ATOM 287 CD1 LEU A 19 13.773 14.593 -3.767 1.00 0.00 C ATOM 288 CD2 LEU A 19 12.542 13.903 -1.706 1.00 0.00 C ATOM 0 H LEU A 19 11.578 11.261 -6.460 1.00 0.00 H new ATOM 0 HA LEU A 19 13.922 12.476 -5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.448 13.304 -4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.732 11.864 -3.241 1.00 0.00 H new ATOM 0 HG LEU A 19 14.053 12.739 -2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 19 14.489 15.140 -3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 19 14.268 14.236 -4.670 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.950 15.253 -4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.260 14.451 -1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 19 11.717 14.562 -1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.158 13.054 -1.140 1.00 0.00 H new ATOM 300 N ASP A 20 14.427 10.197 -4.294 1.00 0.00 N ATOM 301 CA ASP A 20 14.759 8.773 -4.000 1.00 0.00 C ATOM 302 C ASP A 20 14.307 8.417 -2.584 1.00 0.00 C ATOM 303 O ASP A 20 14.920 8.807 -1.609 1.00 0.00 O ATOM 304 CB ASP A 20 16.281 8.683 -4.118 1.00 0.00 C ATOM 305 CG ASP A 20 16.733 9.375 -5.405 1.00 0.00 C ATOM 306 OD1 ASP A 20 16.803 8.704 -6.422 1.00 0.00 O ATOM 307 OD2 ASP A 20 17.000 10.564 -5.353 1.00 0.00 O ATOM 0 H ASP A 20 15.181 10.862 -4.122 1.00 0.00 H new ATOM 0 HA ASP A 20 14.262 8.082 -4.680 1.00 0.00 H new ATOM 0 HB2 ASP A 20 16.752 9.153 -3.255 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.595 7.639 -4.124 1.00 0.00 H new ATOM 312 N PHE A 21 13.236 7.684 -2.460 1.00 0.00 N ATOM 313 CA PHE A 21 12.744 7.309 -1.106 1.00 0.00 C ATOM 314 C PHE A 21 12.603 5.790 -0.994 1.00 0.00 C ATOM 315 O PHE A 21 11.842 5.171 -1.711 1.00 0.00 O ATOM 316 CB PHE A 21 11.383 7.992 -0.983 1.00 0.00 C ATOM 317 CG PHE A 21 11.379 8.888 0.229 1.00 0.00 C ATOM 318 CD1 PHE A 21 11.103 8.354 1.490 1.00 0.00 C ATOM 319 CD2 PHE A 21 11.654 10.252 0.089 1.00 0.00 C ATOM 320 CE1 PHE A 21 11.103 9.185 2.617 1.00 0.00 C ATOM 321 CE2 PHE A 21 11.654 11.085 1.214 1.00 0.00 C ATOM 322 CZ PHE A 21 11.378 10.551 2.479 1.00 0.00 C ATOM 0 H PHE A 21 12.680 7.329 -3.238 1.00 0.00 H new ATOM 0 HA PHE A 21 13.427 7.617 -0.315 1.00 0.00 H new ATOM 0 HB2 PHE A 21 11.174 8.575 -1.880 1.00 0.00 H new ATOM 0 HB3 PHE A 21 10.595 7.244 -0.898 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.890 7.301 1.596 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.866 10.663 -0.887 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.891 8.772 3.592 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.867 12.138 1.107 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.377 11.193 3.348 1.00 0.00 H new ATOM 434 N VAL A 29 9.627 4.972 -3.050 1.00 0.00 N ATOM 435 CA VAL A 29 9.418 5.737 -4.316 1.00 0.00 C ATOM 436 C VAL A 29 10.773 6.016 -4.980 1.00 0.00 C ATOM 437 O VAL A 29 11.773 6.204 -4.316 1.00 0.00 O ATOM 438 CB VAL A 29 8.705 7.053 -3.913 1.00 0.00 C ATOM 439 CG1 VAL A 29 7.884 6.845 -2.635 1.00 0.00 C ATOM 440 CG2 VAL A 29 9.726 8.172 -3.664 1.00 0.00 C ATOM 0 HA VAL A 29 8.817 5.183 -5.037 1.00 0.00 H new ATOM 0 HB VAL A 29 8.047 7.338 -4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.389 7.778 -2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.134 6.073 -2.806 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.544 6.536 -1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.203 9.086 -3.383 1.00 0.00 H new ATOM 0 HG22 VAL A 29 10.400 7.877 -2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 29 10.301 8.349 -4.573 1.00 0.00 H new ATOM 450 N VAL A 30 10.815 6.045 -6.281 1.00 0.00 N ATOM 451 CA VAL A 30 12.106 6.318 -6.974 1.00 0.00 C ATOM 452 C VAL A 30 11.898 7.375 -8.055 1.00 0.00 C ATOM 453 O VAL A 30 11.749 7.066 -9.221 1.00 0.00 O ATOM 454 CB VAL A 30 12.518 4.987 -7.595 1.00 0.00 C ATOM 455 CG1 VAL A 30 12.831 3.985 -6.484 1.00 0.00 C ATOM 456 CG2 VAL A 30 11.373 4.449 -8.458 1.00 0.00 C ATOM 0 H VAL A 30 10.015 5.892 -6.895 1.00 0.00 H new ATOM 0 HA VAL A 30 12.870 6.697 -6.295 1.00 0.00 H new ATOM 0 HB VAL A 30 13.402 5.133 -8.215 1.00 0.00 H new ATOM 0 HG11 VAL A 30 13.126 3.033 -6.925 1.00 0.00 H new ATOM 0 HG12 VAL A 30 13.645 4.367 -5.868 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.946 3.840 -5.865 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.668 3.498 -8.902 1.00 0.00 H new ATOM 0 HG22 VAL A 30 10.488 4.302 -7.838 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.147 5.164 -9.249 1.00 0.00 H new ATOM 466 N ALA A 31 11.883 8.620 -7.671 1.00 0.00 N ATOM 467 CA ALA A 31 11.681 9.708 -8.668 1.00 0.00 C ATOM 468 C ALA A 31 10.603 9.310 -9.676 1.00 0.00 C ATOM 469 O ALA A 31 10.881 9.099 -10.841 1.00 0.00 O ATOM 470 CB ALA A 31 13.034 9.865 -9.361 1.00 0.00 C ATOM 0 H ALA A 31 12.002 8.932 -6.707 1.00 0.00 H new ATOM 0 HA ALA A 31 11.351 10.637 -8.204 1.00 0.00 H new ATOM 0 HB1 ALA A 31 12.968 10.651 -10.113 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.792 10.131 -8.624 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.308 8.926 -9.841 1.00 0.00 H new ATOM 476 N GLY A 32 9.371 9.198 -9.246 1.00 0.00 N ATOM 477 CA GLY A 32 8.302 8.807 -10.205 1.00 0.00 C ATOM 478 C GLY A 32 6.908 9.004 -9.595 1.00 0.00 C ATOM 479 O GLY A 32 5.946 8.428 -10.064 1.00 0.00 O ATOM 0 H GLY A 32 9.065 9.358 -8.286 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.391 9.401 -11.114 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.432 7.764 -10.492 1.00 0.00 H new ATOM 483 N ASP A 33 6.765 9.811 -8.575 1.00 0.00 N ATOM 484 CA ASP A 33 5.395 10.009 -8.005 1.00 0.00 C ATOM 485 C ASP A 33 4.698 11.153 -8.743 1.00 0.00 C ATOM 486 O ASP A 33 5.339 12.061 -9.230 1.00 0.00 O ATOM 487 CB ASP A 33 5.589 10.370 -6.531 1.00 0.00 C ATOM 488 CG ASP A 33 6.715 9.525 -5.931 1.00 0.00 C ATOM 489 OD1 ASP A 33 7.865 9.863 -6.156 1.00 0.00 O ATOM 490 OD2 ASP A 33 6.406 8.555 -5.260 1.00 0.00 O ATOM 0 H ASP A 33 7.516 10.331 -8.120 1.00 0.00 H new ATOM 0 HA ASP A 33 4.780 9.115 -8.110 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.827 11.429 -6.435 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.663 10.201 -5.981 1.00 0.00 H new ATOM 495 N GLU A 34 3.397 11.120 -8.838 1.00 0.00 N ATOM 496 CA GLU A 34 2.681 12.217 -9.554 1.00 0.00 C ATOM 497 C GLU A 34 1.273 12.396 -8.986 1.00 0.00 C ATOM 498 O GLU A 34 0.586 11.436 -8.698 1.00 0.00 O ATOM 499 CB GLU A 34 2.613 11.759 -11.010 1.00 0.00 C ATOM 500 CG GLU A 34 2.089 12.903 -11.879 1.00 0.00 C ATOM 501 CD GLU A 34 1.357 12.329 -13.092 1.00 0.00 C ATOM 502 OE1 GLU A 34 1.605 11.180 -13.420 1.00 0.00 O ATOM 503 OE2 GLU A 34 0.561 13.048 -13.673 1.00 0.00 O ATOM 0 H GLU A 34 2.801 10.387 -8.454 1.00 0.00 H new ATOM 0 HA GLU A 34 3.189 13.176 -9.448 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.601 11.451 -11.352 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.960 10.891 -11.100 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.415 13.534 -11.300 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.916 13.534 -12.205 1.00 0.00 H new ATOM 510 N TRP A 35 0.833 13.615 -8.827 1.00 0.00 N ATOM 511 CA TRP A 35 -0.537 13.829 -8.282 1.00 0.00 C ATOM 512 C TRP A 35 -1.108 15.175 -8.736 1.00 0.00 C ATOM 513 O TRP A 35 -0.463 15.935 -9.429 1.00 0.00 O ATOM 514 CB TRP A 35 -0.383 13.778 -6.759 1.00 0.00 C ATOM 515 CG TRP A 35 0.199 15.060 -6.254 1.00 0.00 C ATOM 516 CD1 TRP A 35 -0.504 16.047 -5.653 1.00 0.00 C ATOM 517 CD2 TRP A 35 1.585 15.505 -6.285 1.00 0.00 C ATOM 518 NE1 TRP A 35 0.364 17.069 -5.310 1.00 0.00 N ATOM 519 CE2 TRP A 35 1.663 16.781 -5.678 1.00 0.00 C ATOM 520 CE3 TRP A 35 2.772 14.931 -6.772 1.00 0.00 C ATOM 521 CZ2 TRP A 35 2.875 17.463 -5.560 1.00 0.00 C ATOM 522 CZ3 TRP A 35 3.992 15.612 -6.656 1.00 0.00 C ATOM 523 CH2 TRP A 35 4.045 16.875 -6.048 1.00 0.00 C ATOM 0 H TRP A 35 1.356 14.462 -9.048 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.235 13.072 -8.640 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.353 13.603 -6.294 1.00 0.00 H new ATOM 0 HB3 TRP A 35 0.260 12.943 -6.479 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.568 16.039 -5.471 1.00 0.00 H new ATOM 0 HE1 TRP A 35 0.079 17.930 -4.843 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.744 13.958 -7.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.908 18.437 -5.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 4.897 15.161 -7.037 1.00 0.00 H new ATOM 0 HH2 TRP A 35 4.989 17.392 -5.957 1.00 0.00 H new ATOM 534 N LEU A 36 -2.328 15.463 -8.363 1.00 0.00 N ATOM 535 CA LEU A 36 -2.958 16.747 -8.785 1.00 0.00 C ATOM 536 C LEU A 36 -2.687 17.853 -7.761 1.00 0.00 C ATOM 537 O LEU A 36 -2.401 17.594 -6.609 1.00 0.00 O ATOM 538 CB LEU A 36 -4.457 16.451 -8.843 1.00 0.00 C ATOM 539 CG LEU A 36 -4.945 16.563 -10.287 1.00 0.00 C ATOM 540 CD1 LEU A 36 -4.643 17.963 -10.824 1.00 0.00 C ATOM 541 CD2 LEU A 36 -4.229 15.518 -11.144 1.00 0.00 C ATOM 0 H LEU A 36 -2.915 14.863 -7.784 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.560 17.094 -9.739 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.656 15.451 -8.458 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.001 17.151 -8.209 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.021 16.390 -10.323 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.992 18.041 -11.854 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.153 18.706 -10.211 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.568 18.142 -10.790 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.574 15.594 -12.175 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.154 15.692 -11.108 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.448 14.521 -10.761 1.00 0.00 H new ATOM 553 N PHE A 37 -2.792 19.088 -8.175 1.00 0.00 N ATOM 554 CA PHE A 37 -2.560 20.221 -7.234 1.00 0.00 C ATOM 555 C PHE A 37 -3.552 21.348 -7.534 1.00 0.00 C ATOM 556 O PHE A 37 -3.479 21.993 -8.561 1.00 0.00 O ATOM 557 CB PHE A 37 -1.122 20.675 -7.508 1.00 0.00 C ATOM 558 CG PHE A 37 -0.688 21.702 -6.481 1.00 0.00 C ATOM 559 CD1 PHE A 37 -1.576 22.131 -5.483 1.00 0.00 C ATOM 560 CD2 PHE A 37 0.610 22.223 -6.529 1.00 0.00 C ATOM 561 CE1 PHE A 37 -1.163 23.080 -4.540 1.00 0.00 C ATOM 562 CE2 PHE A 37 1.021 23.172 -5.586 1.00 0.00 C ATOM 563 CZ PHE A 37 0.135 23.600 -4.591 1.00 0.00 C ATOM 0 H PHE A 37 -3.030 19.361 -9.129 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.700 19.938 -6.191 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.451 19.816 -7.479 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.053 21.100 -8.509 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.578 21.729 -5.442 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.296 21.892 -7.295 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.847 23.411 -3.773 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.023 23.574 -5.626 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.453 24.331 -3.863 1.00 0.00 H new ATOM 573 N GLU A 38 -4.487 21.583 -6.652 1.00 0.00 N ATOM 574 CA GLU A 38 -5.494 22.659 -6.894 1.00 0.00 C ATOM 575 C GLU A 38 -5.056 23.977 -6.246 1.00 0.00 C ATOM 576 O GLU A 38 -4.391 23.991 -5.230 1.00 0.00 O ATOM 577 CB GLU A 38 -6.775 22.146 -6.233 1.00 0.00 C ATOM 578 CG GLU A 38 -7.995 22.742 -6.941 1.00 0.00 C ATOM 579 CD GLU A 38 -8.258 24.150 -6.405 1.00 0.00 C ATOM 580 OE1 GLU A 38 -7.516 24.580 -5.538 1.00 0.00 O ATOM 581 OE2 GLU A 38 -9.198 24.775 -6.870 1.00 0.00 O ATOM 0 H GLU A 38 -4.597 21.076 -5.774 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.622 22.864 -7.957 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.810 21.058 -6.281 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.786 22.419 -5.178 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.823 22.777 -8.017 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.868 22.110 -6.778 1.00 0.00 H new ATOM 588 N GLY A 39 -5.437 25.084 -6.827 1.00 0.00 N ATOM 589 CA GLY A 39 -5.058 26.405 -6.246 1.00 0.00 C ATOM 590 C GLY A 39 -3.540 26.500 -6.095 1.00 0.00 C ATOM 591 O GLY A 39 -3.047 26.927 -5.070 1.00 0.00 O ATOM 0 H GLY A 39 -5.995 25.130 -7.680 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.418 27.209 -6.888 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.536 26.534 -5.275 1.00 0.00 H new ATOM 595 N PRO A 40 -2.843 26.100 -7.123 1.00 0.00 N ATOM 596 CA PRO A 40 -1.363 26.147 -7.093 1.00 0.00 C ATOM 597 C PRO A 40 -0.888 27.601 -7.151 1.00 0.00 C ATOM 598 O PRO A 40 -0.244 28.085 -6.244 1.00 0.00 O ATOM 599 CB PRO A 40 -0.953 25.372 -8.343 1.00 0.00 C ATOM 600 CG PRO A 40 -2.128 25.469 -9.262 1.00 0.00 C ATOM 601 CD PRO A 40 -3.355 25.583 -8.396 1.00 0.00 C ATOM 0 HA PRO A 40 -0.929 25.723 -6.188 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.060 25.801 -8.798 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.723 24.333 -8.105 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.036 26.336 -9.916 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.189 24.590 -9.904 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.091 26.257 -8.834 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.844 24.617 -8.267 1.00 0.00 H new ATOM 609 N GLY A 41 -1.222 28.300 -8.201 1.00 0.00 N ATOM 610 CA GLY A 41 -0.814 29.731 -8.322 1.00 0.00 C ATOM 611 C GLY A 41 0.632 29.923 -7.855 1.00 0.00 C ATOM 612 O GLY A 41 1.564 29.837 -8.631 1.00 0.00 O ATOM 0 H GLY A 41 -1.764 27.940 -8.986 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.913 30.056 -9.358 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.480 30.356 -7.727 1.00 0.00 H new ATOM 616 N THR A 42 0.823 30.195 -6.591 1.00 0.00 N ATOM 617 CA THR A 42 2.202 30.411 -6.060 1.00 0.00 C ATOM 618 C THR A 42 3.034 29.122 -6.110 1.00 0.00 C ATOM 619 O THR A 42 4.175 29.102 -5.692 1.00 0.00 O ATOM 620 CB THR A 42 2.000 30.852 -4.609 1.00 0.00 C ATOM 621 OG1 THR A 42 1.089 29.969 -3.970 1.00 0.00 O ATOM 622 CG2 THR A 42 1.440 32.275 -4.579 1.00 0.00 C ATOM 0 H THR A 42 0.078 30.277 -5.899 1.00 0.00 H new ATOM 0 HA THR A 42 2.745 31.147 -6.653 1.00 0.00 H new ATOM 0 HB THR A 42 2.956 30.830 -4.086 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.960 30.249 -3.040 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.297 32.588 -3.545 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.140 32.952 -5.069 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.484 32.301 -5.102 1.00 0.00 H new ATOM 630 N TYR A 43 2.488 28.044 -6.608 1.00 0.00 N ATOM 631 CA TYR A 43 3.278 26.781 -6.662 1.00 0.00 C ATOM 632 C TYR A 43 4.418 26.906 -7.682 1.00 0.00 C ATOM 633 O TYR A 43 4.198 27.185 -8.844 1.00 0.00 O ATOM 634 CB TYR A 43 2.288 25.697 -7.104 1.00 0.00 C ATOM 635 CG TYR A 43 3.056 24.501 -7.625 1.00 0.00 C ATOM 636 CD1 TYR A 43 4.046 23.911 -6.831 1.00 0.00 C ATOM 637 CD2 TYR A 43 2.791 23.996 -8.904 1.00 0.00 C ATOM 638 CE1 TYR A 43 4.770 22.815 -7.315 1.00 0.00 C ATOM 639 CE2 TYR A 43 3.515 22.897 -9.386 1.00 0.00 C ATOM 640 CZ TYR A 43 4.504 22.309 -8.591 1.00 0.00 C ATOM 641 OH TYR A 43 5.219 21.228 -9.066 1.00 0.00 O ATOM 0 H TYR A 43 1.539 27.984 -6.976 1.00 0.00 H new ATOM 0 HA TYR A 43 3.733 26.548 -5.699 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.657 25.401 -6.266 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.628 26.086 -7.879 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.251 24.301 -5.845 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.029 24.453 -9.518 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.534 22.360 -6.703 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.309 22.504 -10.371 1.00 0.00 H new ATOM 0 HH TYR A 43 6.014 21.091 -8.509 1.00 0.00 H new ATOM 651 N ILE A 44 5.630 26.680 -7.257 1.00 0.00 N ATOM 652 CA ILE A 44 6.780 26.762 -8.200 1.00 0.00 C ATOM 653 C ILE A 44 7.418 25.377 -8.332 1.00 0.00 C ATOM 654 O ILE A 44 7.449 24.618 -7.384 1.00 0.00 O ATOM 655 CB ILE A 44 7.752 27.761 -7.565 1.00 0.00 C ATOM 656 CG1 ILE A 44 7.184 29.177 -7.709 1.00 0.00 C ATOM 657 CG2 ILE A 44 9.113 27.686 -8.267 1.00 0.00 C ATOM 658 CD1 ILE A 44 8.278 30.206 -7.410 1.00 0.00 C ATOM 0 H ILE A 44 5.874 26.442 -6.296 1.00 0.00 H new ATOM 0 HA ILE A 44 6.489 27.082 -9.201 1.00 0.00 H new ATOM 0 HB ILE A 44 7.880 27.518 -6.510 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.800 29.324 -8.718 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.346 29.314 -7.026 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.798 28.400 -7.809 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.518 26.679 -8.168 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.991 27.926 -9.323 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.870 31.211 -7.514 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.642 30.065 -6.392 1.00 0.00 H new ATOM 0 HD13 ILE A 44 9.102 30.075 -8.111 1.00 0.00 H new ATOM 670 N PRO A 45 7.900 25.087 -9.509 1.00 0.00 N ATOM 671 CA PRO A 45 8.532 23.770 -9.765 1.00 0.00 C ATOM 672 C PRO A 45 9.841 23.635 -8.982 1.00 0.00 C ATOM 673 O PRO A 45 10.830 24.274 -9.286 1.00 0.00 O ATOM 674 CB PRO A 45 8.785 23.784 -11.270 1.00 0.00 C ATOM 675 CG PRO A 45 8.857 25.232 -11.629 1.00 0.00 C ATOM 676 CD PRO A 45 7.907 25.942 -10.701 1.00 0.00 C ATOM 0 HA PRO A 45 7.914 22.929 -9.451 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.711 23.267 -11.521 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.983 23.281 -11.811 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.872 25.612 -11.513 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.575 25.390 -12.670 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.248 26.951 -10.471 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.912 26.034 -11.136 1.00 0.00 H new ATOM 684 N ARG A 46 9.851 22.804 -7.975 1.00 0.00 N ATOM 685 CA ARG A 46 11.090 22.620 -7.167 1.00 0.00 C ATOM 686 C ARG A 46 11.785 21.315 -7.564 1.00 0.00 C ATOM 687 O ARG A 46 11.144 20.332 -7.884 1.00 0.00 O ATOM 688 CB ARG A 46 10.610 22.560 -5.717 1.00 0.00 C ATOM 689 CG ARG A 46 9.497 21.517 -5.587 1.00 0.00 C ATOM 690 CD ARG A 46 9.329 21.131 -4.116 1.00 0.00 C ATOM 691 NE ARG A 46 7.919 21.483 -3.787 1.00 0.00 N ATOM 692 CZ ARG A 46 7.655 22.199 -2.728 1.00 0.00 C ATOM 693 NH1 ARG A 46 7.884 23.484 -2.735 1.00 0.00 N ATOM 694 NH2 ARG A 46 7.161 21.632 -1.662 1.00 0.00 N ATOM 0 H ARG A 46 9.053 22.244 -7.677 1.00 0.00 H new ATOM 0 HA ARG A 46 11.812 23.422 -7.321 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.440 22.304 -5.059 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.244 23.538 -5.404 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.562 21.917 -5.978 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.739 20.635 -6.180 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.517 20.068 -3.962 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.030 21.674 -3.482 1.00 0.00 H new ATOM 0 HE ARG A 46 7.160 21.164 -4.389 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.269 23.929 -3.568 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.678 24.043 -1.907 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.981 20.628 -1.655 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.955 22.193 -0.835 1.00 0.00 H new ATOM 708 N LYS A 47 13.093 21.305 -7.550 1.00 0.00 N ATOM 709 CA LYS A 47 13.849 20.074 -7.933 1.00 0.00 C ATOM 710 C LYS A 47 13.137 18.814 -7.435 1.00 0.00 C ATOM 711 O LYS A 47 12.997 17.849 -8.156 1.00 0.00 O ATOM 712 CB LYS A 47 15.209 20.219 -7.250 1.00 0.00 C ATOM 713 CG LYS A 47 16.070 18.994 -7.563 1.00 0.00 C ATOM 714 CD LYS A 47 16.261 18.164 -6.292 1.00 0.00 C ATOM 715 CE LYS A 47 17.705 17.664 -6.220 1.00 0.00 C ATOM 716 NZ LYS A 47 18.360 18.531 -5.203 1.00 0.00 N ATOM 0 H LYS A 47 13.674 22.102 -7.288 1.00 0.00 H new ATOM 0 HA LYS A 47 13.935 19.974 -9.015 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.707 21.125 -7.596 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.078 20.319 -6.173 1.00 0.00 H new ATOM 0 HG2 LYS A 47 15.594 18.390 -8.336 1.00 0.00 H new ATOM 0 HG3 LYS A 47 17.038 19.307 -7.954 1.00 0.00 H new ATOM 0 HD2 LYS A 47 16.030 18.766 -5.414 1.00 0.00 H new ATOM 0 HD3 LYS A 47 15.572 17.319 -6.290 1.00 0.00 H new ATOM 0 HE2 LYS A 47 17.746 16.614 -5.929 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.200 17.746 -7.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 19.356 18.250 -5.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 18.312 19.523 -5.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 17.871 18.427 -4.291 1.00 0.00 H new ATOM 730 N GLU A 48 12.696 18.809 -6.208 1.00 0.00 N ATOM 731 CA GLU A 48 12.007 17.600 -5.669 1.00 0.00 C ATOM 732 C GLU A 48 10.926 17.114 -6.629 1.00 0.00 C ATOM 733 O GLU A 48 10.869 15.949 -6.943 1.00 0.00 O ATOM 734 CB GLU A 48 11.396 18.043 -4.339 1.00 0.00 C ATOM 735 CG GLU A 48 11.420 16.872 -3.354 1.00 0.00 C ATOM 736 CD GLU A 48 11.032 17.368 -1.961 1.00 0.00 C ATOM 737 OE1 GLU A 48 11.567 18.384 -1.546 1.00 0.00 O ATOM 738 OE2 GLU A 48 10.208 16.725 -1.333 1.00 0.00 O ATOM 0 H GLU A 48 12.782 19.588 -5.555 1.00 0.00 H new ATOM 0 HA GLU A 48 12.697 16.766 -5.540 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.954 18.886 -3.932 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.372 18.383 -4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.729 16.095 -3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.414 16.425 -3.329 1.00 0.00 H new ATOM 745 N VAL A 49 10.069 17.978 -7.100 1.00 0.00 N ATOM 746 CA VAL A 49 9.009 17.506 -8.041 1.00 0.00 C ATOM 747 C VAL A 49 8.903 18.438 -9.249 1.00 0.00 C ATOM 748 O VAL A 49 9.028 19.641 -9.136 1.00 0.00 O ATOM 749 CB VAL A 49 7.688 17.492 -7.243 1.00 0.00 C ATOM 750 CG1 VAL A 49 7.960 17.185 -5.767 1.00 0.00 C ATOM 751 CG2 VAL A 49 6.980 18.848 -7.354 1.00 0.00 C ATOM 0 H VAL A 49 10.054 18.974 -6.880 1.00 0.00 H new ATOM 0 HA VAL A 49 9.243 16.514 -8.428 1.00 0.00 H new ATOM 0 HB VAL A 49 7.047 16.716 -7.662 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.019 17.179 -5.217 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.437 16.209 -5.680 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.618 17.949 -5.352 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.050 18.821 -6.786 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.626 19.630 -6.955 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.759 19.059 -8.400 1.00 0.00 H new ATOM 761 N GLU A 50 8.665 17.884 -10.400 1.00 0.00 N ATOM 762 CA GLU A 50 8.537 18.735 -11.621 1.00 0.00 C ATOM 763 C GLU A 50 7.077 18.779 -12.089 1.00 0.00 C ATOM 764 O GLU A 50 6.394 17.775 -12.115 1.00 0.00 O ATOM 765 CB GLU A 50 9.410 18.053 -12.676 1.00 0.00 C ATOM 766 CG GLU A 50 10.862 18.513 -12.521 1.00 0.00 C ATOM 767 CD GLU A 50 11.706 17.369 -11.952 1.00 0.00 C ATOM 768 OE1 GLU A 50 11.702 16.304 -12.547 1.00 0.00 O ATOM 769 OE2 GLU A 50 12.343 17.578 -10.934 1.00 0.00 O ATOM 0 H GLU A 50 8.553 16.882 -10.553 1.00 0.00 H new ATOM 0 HA GLU A 50 8.845 19.764 -11.436 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.348 16.970 -12.568 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.046 18.295 -13.675 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.260 18.826 -13.486 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.911 19.378 -11.860 1.00 0.00 H new ATOM 776 N VAL A 51 6.597 19.935 -12.472 1.00 0.00 N ATOM 777 CA VAL A 51 5.184 20.037 -12.950 1.00 0.00 C ATOM 778 C VAL A 51 4.958 19.027 -14.071 1.00 0.00 C ATOM 779 O VAL A 51 5.843 18.749 -14.856 1.00 0.00 O ATOM 780 CB VAL A 51 5.050 21.464 -13.481 1.00 0.00 C ATOM 781 CG1 VAL A 51 5.358 22.450 -12.356 1.00 0.00 C ATOM 782 CG2 VAL A 51 6.036 21.682 -14.631 1.00 0.00 C ATOM 0 H VAL A 51 7.120 20.810 -12.475 1.00 0.00 H new ATOM 0 HA VAL A 51 4.455 19.828 -12.167 1.00 0.00 H new ATOM 0 HB VAL A 51 4.034 21.622 -13.843 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.264 23.470 -12.730 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.656 22.298 -11.536 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.375 22.287 -11.998 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.937 22.700 -15.007 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.053 21.524 -14.273 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.821 20.977 -15.434 1.00 0.00 H new ATOM 792 N VAL A 52 3.788 18.464 -14.152 1.00 0.00 N ATOM 793 CA VAL A 52 3.533 17.466 -15.227 1.00 0.00 C ATOM 794 C VAL A 52 2.429 17.960 -16.162 1.00 0.00 C ATOM 795 O VAL A 52 2.632 18.109 -17.350 1.00 0.00 O ATOM 796 CB VAL A 52 3.103 16.195 -14.496 1.00 0.00 C ATOM 797 CG1 VAL A 52 2.958 15.051 -15.498 1.00 0.00 C ATOM 798 CG2 VAL A 52 4.168 15.825 -13.465 1.00 0.00 C ATOM 0 H VAL A 52 3.003 18.648 -13.528 1.00 0.00 H new ATOM 0 HA VAL A 52 4.412 17.295 -15.849 1.00 0.00 H new ATOM 0 HB VAL A 52 2.148 16.367 -13.999 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.651 14.145 -14.974 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.206 15.312 -16.242 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.913 14.878 -15.993 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.867 14.919 -12.940 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.119 15.653 -13.970 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.279 16.639 -12.749 1.00 0.00 H new ATOM 808 N GLU A 53 1.263 18.219 -15.638 1.00 0.00 N ATOM 809 CA GLU A 53 0.154 18.708 -16.507 1.00 0.00 C ATOM 810 C GLU A 53 -0.578 19.861 -15.826 1.00 0.00 C ATOM 811 O GLU A 53 -0.339 20.174 -14.676 1.00 0.00 O ATOM 812 CB GLU A 53 -0.806 17.523 -16.681 1.00 0.00 C ATOM 813 CG GLU A 53 -0.026 16.209 -16.745 1.00 0.00 C ATOM 814 CD GLU A 53 -0.725 15.249 -17.709 1.00 0.00 C ATOM 815 OE1 GLU A 53 -0.606 15.453 -18.906 1.00 0.00 O ATOM 816 OE2 GLU A 53 -1.369 14.328 -17.234 1.00 0.00 O ATOM 0 H GLU A 53 1.030 18.114 -14.651 1.00 0.00 H new ATOM 0 HA GLU A 53 0.532 19.068 -17.464 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.512 17.494 -15.851 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.390 17.651 -17.592 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.995 16.396 -17.077 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.038 15.763 -15.753 1.00 0.00 H new ATOM 823 N ILE A 54 -1.481 20.487 -16.524 1.00 0.00 N ATOM 824 CA ILE A 54 -2.247 21.609 -15.917 1.00 0.00 C ATOM 825 C ILE A 54 -3.725 21.458 -16.291 1.00 0.00 C ATOM 826 O ILE A 54 -4.063 21.240 -17.437 1.00 0.00 O ATOM 827 CB ILE A 54 -1.656 22.903 -16.499 1.00 0.00 C ATOM 828 CG1 ILE A 54 -0.188 22.696 -16.915 1.00 0.00 C ATOM 829 CG2 ILE A 54 -1.726 23.998 -15.434 1.00 0.00 C ATOM 830 CD1 ILE A 54 0.683 22.438 -15.678 1.00 0.00 C ATOM 0 H ILE A 54 -1.723 20.270 -17.491 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.178 21.620 -14.829 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.229 23.188 -17.381 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.113 21.854 -17.603 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.174 23.576 -17.447 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.309 24.922 -15.834 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.765 24.162 -15.149 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.153 23.691 -14.559 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.719 22.293 -15.986 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.621 23.293 -15.004 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.329 21.544 -15.164 1.00 0.00 H new ATOM 842 N ILE A 55 -4.605 21.544 -15.331 1.00 0.00 N ATOM 843 CA ILE A 55 -6.059 21.373 -15.633 1.00 0.00 C ATOM 844 C ILE A 55 -6.876 22.571 -15.124 1.00 0.00 C ATOM 845 O ILE A 55 -6.586 23.143 -14.090 1.00 0.00 O ATOM 846 CB ILE A 55 -6.451 20.068 -14.908 1.00 0.00 C ATOM 847 CG1 ILE A 55 -7.376 19.243 -15.807 1.00 0.00 C ATOM 848 CG2 ILE A 55 -7.169 20.368 -13.584 1.00 0.00 C ATOM 849 CD1 ILE A 55 -8.569 20.096 -16.238 1.00 0.00 C ATOM 0 H ILE A 55 -4.383 21.725 -14.352 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.259 21.321 -16.703 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.541 19.509 -14.691 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.831 18.894 -16.684 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.723 18.358 -15.274 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.434 19.431 -13.094 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.509 20.944 -12.935 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.074 20.942 -13.783 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.226 19.506 -16.878 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -9.120 20.423 -15.356 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.213 20.967 -16.788 1.00 0.00 H new ATOM 861 N GLN A 56 -7.904 22.939 -15.842 1.00 0.00 N ATOM 862 CA GLN A 56 -8.756 24.085 -15.409 1.00 0.00 C ATOM 863 C GLN A 56 -10.030 23.560 -14.740 1.00 0.00 C ATOM 864 O GLN A 56 -10.286 22.373 -14.720 1.00 0.00 O ATOM 865 CB GLN A 56 -9.113 24.834 -16.697 1.00 0.00 C ATOM 866 CG GLN A 56 -7.885 24.941 -17.609 1.00 0.00 C ATOM 867 CD GLN A 56 -6.914 25.978 -17.044 1.00 0.00 C ATOM 868 OE1 GLN A 56 -7.328 26.998 -16.529 1.00 0.00 O ATOM 869 NE2 GLN A 56 -5.629 25.762 -17.121 1.00 0.00 N ATOM 0 H GLN A 56 -8.191 22.493 -16.713 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.246 24.728 -14.692 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -9.917 24.313 -17.218 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -9.483 25.830 -16.456 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.392 23.972 -17.687 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.191 25.225 -18.616 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.281 24.906 -17.553 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.973 26.449 -16.749 1.00 0.00 H new ATOM 878 N ALA A 57 -10.835 24.433 -14.199 1.00 0.00 N ATOM 879 CA ALA A 57 -12.096 23.976 -13.545 1.00 0.00 C ATOM 880 C ALA A 57 -13.288 24.235 -14.470 1.00 0.00 C ATOM 881 O ALA A 57 -13.495 25.343 -14.922 1.00 0.00 O ATOM 882 CB ALA A 57 -12.214 24.813 -12.271 1.00 0.00 C ATOM 0 H ALA A 57 -10.676 25.440 -14.181 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.085 22.908 -13.327 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.120 24.533 -11.734 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.346 24.634 -11.636 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.260 25.870 -12.533 1.00 0.00 H new ATOM 888 N THR A 58 -14.075 23.228 -14.763 1.00 0.00 N ATOM 889 CA THR A 58 -15.240 23.453 -15.671 1.00 0.00 C ATOM 890 C THR A 58 -16.034 22.162 -15.913 1.00 0.00 C ATOM 891 O THR A 58 -16.130 21.696 -17.031 1.00 0.00 O ATOM 892 CB THR A 58 -14.614 23.922 -16.983 1.00 0.00 C ATOM 893 OG1 THR A 58 -15.621 24.005 -17.981 1.00 0.00 O ATOM 894 CG2 THR A 58 -13.539 22.918 -17.416 1.00 0.00 C ATOM 0 H THR A 58 -13.963 22.275 -14.418 1.00 0.00 H new ATOM 0 HA THR A 58 -15.943 24.169 -15.244 1.00 0.00 H new ATOM 0 HB THR A 58 -14.160 24.903 -16.846 1.00 0.00 H new ATOM 0 HG1 THR A 58 -15.973 23.109 -18.166 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.089 23.248 -18.352 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.770 22.854 -16.646 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.993 21.937 -17.558 1.00 0.00 H new ATOM 902 N ILE A 59 -16.622 21.583 -14.899 1.00 0.00 N ATOM 903 CA ILE A 59 -17.413 20.336 -15.136 1.00 0.00 C ATOM 904 C ILE A 59 -18.231 19.948 -13.893 1.00 0.00 C ATOM 905 O ILE A 59 -19.343 19.469 -14.001 1.00 0.00 O ATOM 906 CB ILE A 59 -16.376 19.262 -15.496 1.00 0.00 C ATOM 907 CG1 ILE A 59 -17.004 18.263 -16.472 1.00 0.00 C ATOM 908 CG2 ILE A 59 -15.910 18.517 -14.242 1.00 0.00 C ATOM 909 CD1 ILE A 59 -16.320 18.382 -17.836 1.00 0.00 C ATOM 0 H ILE A 59 -16.592 21.911 -13.934 1.00 0.00 H new ATOM 0 HA ILE A 59 -18.145 20.464 -15.933 1.00 0.00 H new ATOM 0 HB ILE A 59 -15.514 19.747 -15.955 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -16.899 17.248 -16.088 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -18.072 18.457 -16.571 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -15.176 17.761 -14.520 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -15.458 19.224 -13.546 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -16.764 18.036 -13.766 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -16.767 17.671 -18.531 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -16.448 19.394 -18.220 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -15.257 18.166 -17.730 1.00 0.00 H new ATOM 921 N ILE A 60 -17.698 20.140 -12.718 1.00 0.00 N ATOM 922 CA ILE A 60 -18.464 19.768 -11.491 1.00 0.00 C ATOM 923 C ILE A 60 -19.523 20.833 -11.177 1.00 0.00 C ATOM 924 O ILE A 60 -19.427 21.965 -11.607 1.00 0.00 O ATOM 925 CB ILE A 60 -17.418 19.693 -10.376 1.00 0.00 C ATOM 926 CG1 ILE A 60 -16.669 18.362 -10.479 1.00 0.00 C ATOM 927 CG2 ILE A 60 -18.105 19.786 -9.012 1.00 0.00 C ATOM 928 CD1 ILE A 60 -17.624 17.213 -10.155 1.00 0.00 C ATOM 0 H ILE A 60 -16.772 20.535 -12.553 1.00 0.00 H new ATOM 0 HA ILE A 60 -18.998 18.825 -11.609 1.00 0.00 H new ATOM 0 HB ILE A 60 -16.717 20.521 -10.480 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -16.262 18.238 -11.482 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -15.825 18.353 -9.789 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -17.355 19.732 -8.223 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -18.642 20.732 -8.939 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -18.808 18.960 -8.902 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -17.091 16.265 -10.228 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -18.010 17.335 -9.143 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -18.453 17.219 -10.863 1.00 0.00 H new ATOM 940 N ARG A 61 -20.534 20.474 -10.431 1.00 0.00 N ATOM 941 CA ARG A 61 -21.599 21.462 -10.092 1.00 0.00 C ATOM 942 C ARG A 61 -21.015 22.617 -9.272 1.00 0.00 C ATOM 943 O ARG A 61 -19.814 22.766 -9.156 1.00 0.00 O ATOM 944 CB ARG A 61 -22.622 20.678 -9.269 1.00 0.00 C ATOM 945 CG ARG A 61 -23.410 19.746 -10.191 1.00 0.00 C ATOM 946 CD ARG A 61 -24.909 19.906 -9.924 1.00 0.00 C ATOM 947 NE ARG A 61 -25.550 18.783 -10.666 1.00 0.00 N ATOM 948 CZ ARG A 61 -26.827 18.544 -10.522 1.00 0.00 C ATOM 949 NH1 ARG A 61 -27.532 19.236 -9.668 1.00 0.00 N ATOM 950 NH2 ARG A 61 -27.399 17.610 -11.234 1.00 0.00 N ATOM 0 H ARG A 61 -20.668 19.541 -10.042 1.00 0.00 H new ATOM 0 HA ARG A 61 -22.047 21.905 -10.982 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -22.116 20.100 -8.495 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -23.300 21.364 -8.762 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -23.189 19.977 -11.233 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -23.109 18.712 -10.023 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -25.129 19.852 -8.858 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -25.273 20.871 -10.276 1.00 0.00 H new ATOM 0 HE ARG A 61 -24.990 18.199 -11.288 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -27.086 19.965 -9.111 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -28.528 19.047 -9.558 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -26.849 17.069 -11.901 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -28.395 17.422 -11.123 1.00 0.00 H new ATOM 964 N GLN A 62 -21.858 23.441 -8.713 1.00 0.00 N ATOM 965 CA GLN A 62 -21.361 24.595 -7.911 1.00 0.00 C ATOM 966 C GLN A 62 -21.232 24.211 -6.429 1.00 0.00 C ATOM 967 O GLN A 62 -20.540 24.861 -5.672 1.00 0.00 O ATOM 968 CB GLN A 62 -22.425 25.687 -8.117 1.00 0.00 C ATOM 969 CG GLN A 62 -22.495 26.618 -6.900 1.00 0.00 C ATOM 970 CD GLN A 62 -23.685 27.568 -7.051 1.00 0.00 C ATOM 971 OE1 GLN A 62 -24.211 28.061 -6.073 1.00 0.00 O ATOM 972 NE2 GLN A 62 -24.137 27.847 -8.244 1.00 0.00 N ATOM 0 H GLN A 62 -22.873 23.365 -8.777 1.00 0.00 H new ATOM 0 HA GLN A 62 -20.369 24.926 -8.219 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -22.190 26.266 -9.010 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -23.398 25.225 -8.284 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -22.597 26.032 -5.986 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -21.570 27.188 -6.811 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -23.696 27.434 -9.066 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -24.931 28.478 -8.354 1.00 0.00 H new ATOM 981 N ASN A 63 -21.901 23.176 -6.003 1.00 0.00 N ATOM 982 CA ASN A 63 -21.820 22.780 -4.567 1.00 0.00 C ATOM 983 C ASN A 63 -21.457 21.296 -4.428 1.00 0.00 C ATOM 984 O ASN A 63 -21.021 20.848 -3.388 1.00 0.00 O ATOM 985 CB ASN A 63 -23.229 23.038 -4.029 1.00 0.00 C ATOM 986 CG ASN A 63 -24.256 22.422 -4.981 1.00 0.00 C ATOM 987 OD1 ASN A 63 -24.686 21.302 -4.787 1.00 0.00 O ATOM 988 ND2 ASN A 63 -24.670 23.110 -6.010 1.00 0.00 N ATOM 0 H ASN A 63 -22.499 22.588 -6.584 1.00 0.00 H new ATOM 0 HA ASN A 63 -21.053 23.334 -4.026 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -23.335 22.607 -3.033 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -23.403 24.110 -3.932 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -25.354 22.708 -6.651 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -24.310 24.050 -6.173 1.00 0.00 H new ATOM 995 N GLN A 64 -21.647 20.529 -5.461 1.00 0.00 N ATOM 996 CA GLN A 64 -21.332 19.075 -5.378 1.00 0.00 C ATOM 997 C GLN A 64 -19.916 18.833 -4.845 1.00 0.00 C ATOM 998 O GLN A 64 -18.945 19.344 -5.366 1.00 0.00 O ATOM 999 CB GLN A 64 -21.448 18.565 -6.815 1.00 0.00 C ATOM 1000 CG GLN A 64 -20.911 17.134 -6.894 1.00 0.00 C ATOM 1001 CD GLN A 64 -21.735 16.224 -5.981 1.00 0.00 C ATOM 1002 OE1 GLN A 64 -21.218 15.281 -5.417 1.00 0.00 O ATOM 1003 NE2 GLN A 64 -23.006 16.469 -5.808 1.00 0.00 N ATOM 0 H GLN A 64 -22.007 20.844 -6.362 1.00 0.00 H new ATOM 0 HA GLN A 64 -22.006 18.562 -4.692 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -22.488 18.593 -7.139 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -20.887 19.213 -7.488 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -20.958 16.774 -7.922 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -19.863 17.112 -6.596 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -23.442 17.261 -6.281 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -23.563 15.869 -5.200 1.00 0.00 H new ATOM 1012 N ALA A 65 -19.799 18.027 -3.823 1.00 0.00 N ATOM 1013 CA ALA A 65 -18.457 17.707 -3.258 1.00 0.00 C ATOM 1014 C ALA A 65 -18.110 16.259 -3.614 1.00 0.00 C ATOM 1015 O ALA A 65 -18.971 15.401 -3.637 1.00 0.00 O ATOM 1016 CB ALA A 65 -18.607 17.874 -1.745 1.00 0.00 C ATOM 0 H ALA A 65 -20.582 17.574 -3.353 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.664 18.346 -3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.657 17.654 -1.259 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.902 18.899 -1.520 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -19.370 17.188 -1.377 1.00 0.00 H new ATOM 1022 N LEU A 66 -16.874 15.974 -3.917 1.00 0.00 N ATOM 1023 CA LEU A 66 -16.523 14.576 -4.296 1.00 0.00 C ATOM 1024 C LEU A 66 -15.354 14.038 -3.470 1.00 0.00 C ATOM 1025 O LEU A 66 -14.235 14.502 -3.584 1.00 0.00 O ATOM 1026 CB LEU A 66 -16.137 14.663 -5.772 1.00 0.00 C ATOM 1027 CG LEU A 66 -17.193 15.471 -6.526 1.00 0.00 C ATOM 1028 CD1 LEU A 66 -16.662 16.879 -6.798 1.00 0.00 C ATOM 1029 CD2 LEU A 66 -17.507 14.781 -7.855 1.00 0.00 C ATOM 0 H LEU A 66 -16.100 16.639 -3.919 1.00 0.00 H new ATOM 0 HA LEU A 66 -17.353 13.893 -4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.160 15.134 -5.877 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -16.056 13.663 -6.198 1.00 0.00 H new ATOM 0 HG LEU A 66 -18.099 15.535 -5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -17.416 17.454 -7.336 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -16.436 17.372 -5.852 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -15.756 16.816 -7.400 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -18.260 15.356 -8.394 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.600 14.718 -8.456 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -17.885 13.777 -7.663 1.00 0.00 H new ATOM 1041 N ARG A 67 -15.597 13.035 -2.668 1.00 0.00 N ATOM 1042 CA ARG A 67 -14.494 12.438 -1.864 1.00 0.00 C ATOM 1043 C ARG A 67 -13.875 11.292 -2.665 1.00 0.00 C ATOM 1044 O ARG A 67 -14.545 10.346 -3.029 1.00 0.00 O ATOM 1045 CB ARG A 67 -15.157 11.913 -0.589 1.00 0.00 C ATOM 1046 CG ARG A 67 -14.092 11.292 0.318 1.00 0.00 C ATOM 1047 CD ARG A 67 -14.756 10.323 1.299 1.00 0.00 C ATOM 1048 NE ARG A 67 -15.037 11.140 2.511 1.00 0.00 N ATOM 1049 CZ ARG A 67 -14.742 10.675 3.694 1.00 0.00 C ATOM 1050 NH1 ARG A 67 -13.537 10.821 4.172 1.00 0.00 N ATOM 1051 NH2 ARG A 67 -15.654 10.062 4.397 1.00 0.00 N ATOM 0 H ARG A 67 -16.512 12.604 -2.536 1.00 0.00 H new ATOM 0 HA ARG A 67 -13.703 13.150 -1.627 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -15.665 12.725 -0.069 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -15.915 11.171 -0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -13.350 10.766 -0.283 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -13.564 12.074 0.864 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -15.673 9.905 0.883 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -14.100 9.484 1.531 1.00 0.00 H new ATOM 0 HE ARG A 67 -15.460 12.063 2.417 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.824 11.299 3.621 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -13.308 10.457 5.097 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -16.595 9.947 4.022 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -15.426 9.698 5.322 1.00 0.00 H new ATOM 1065 N LEU A 68 -12.613 11.382 -2.973 1.00 0.00 N ATOM 1066 CA LEU A 68 -11.972 10.310 -3.788 1.00 0.00 C ATOM 1067 C LEU A 68 -10.919 9.546 -2.978 1.00 0.00 C ATOM 1068 O LEU A 68 -10.433 10.014 -1.966 1.00 0.00 O ATOM 1069 CB LEU A 68 -11.313 11.066 -4.941 1.00 0.00 C ATOM 1070 CG LEU A 68 -12.301 12.082 -5.520 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -11.589 12.951 -6.558 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -13.464 11.340 -6.182 1.00 0.00 C ATOM 0 H LEU A 68 -11.998 12.148 -2.698 1.00 0.00 H new ATOM 0 HA LEU A 68 -12.692 9.563 -4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.416 11.576 -4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -10.999 10.366 -5.716 1.00 0.00 H new ATOM 0 HG LEU A 68 -12.684 12.716 -4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.292 13.675 -6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.761 13.479 -6.084 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.206 12.320 -7.360 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -14.168 12.062 -6.595 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.083 10.706 -6.983 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -13.971 10.722 -5.441 1.00 0.00 H new ATOM 1084 N ARG A 69 -10.559 8.370 -3.426 1.00 0.00 N ATOM 1085 CA ARG A 69 -9.533 7.567 -2.698 1.00 0.00 C ATOM 1086 C ARG A 69 -8.408 7.155 -3.654 1.00 0.00 C ATOM 1087 O ARG A 69 -8.556 7.193 -4.859 1.00 0.00 O ATOM 1088 CB ARG A 69 -10.278 6.336 -2.182 1.00 0.00 C ATOM 1089 CG ARG A 69 -10.712 6.572 -0.734 1.00 0.00 C ATOM 1090 CD ARG A 69 -11.505 5.362 -0.231 1.00 0.00 C ATOM 1091 NE ARG A 69 -10.495 4.492 0.435 1.00 0.00 N ATOM 1092 CZ ARG A 69 -10.845 3.321 0.896 1.00 0.00 C ATOM 1093 NH1 ARG A 69 -11.837 3.223 1.738 1.00 0.00 N ATOM 1094 NH2 ARG A 69 -10.203 2.252 0.513 1.00 0.00 N ATOM 0 H ARG A 69 -10.933 7.931 -4.267 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.071 8.129 -1.887 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.149 6.137 -2.806 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -9.636 5.457 -2.242 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -9.838 6.734 -0.104 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -11.323 7.472 -0.669 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -12.287 5.664 0.466 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -11.995 4.841 -1.054 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.531 4.811 0.531 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -12.338 4.060 2.035 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -12.111 2.309 2.099 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.428 2.331 -0.146 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.476 1.337 0.872 1.00 0.00 H new ATOM 1108 N ALA A 70 -7.278 6.773 -3.123 1.00 0.00 N ATOM 1109 CA ALA A 70 -6.134 6.374 -3.996 1.00 0.00 C ATOM 1110 C ALA A 70 -6.265 4.919 -4.460 1.00 0.00 C ATOM 1111 O ALA A 70 -6.844 4.090 -3.787 1.00 0.00 O ATOM 1112 CB ALA A 70 -4.902 6.523 -3.107 1.00 0.00 C ATOM 0 H ALA A 70 -7.096 6.720 -2.121 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.088 6.984 -4.898 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.011 6.249 -3.671 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.817 7.557 -2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.998 5.869 -2.240 1.00 0.00 H new ATOM 1118 N ARG A 71 -5.708 4.604 -5.600 1.00 0.00 N ATOM 1119 CA ARG A 71 -5.775 3.201 -6.106 1.00 0.00 C ATOM 1120 C ARG A 71 -4.361 2.686 -6.399 1.00 0.00 C ATOM 1121 O ARG A 71 -4.092 1.502 -6.329 1.00 0.00 O ATOM 1122 CB ARG A 71 -6.617 3.268 -7.385 1.00 0.00 C ATOM 1123 CG ARG A 71 -5.821 3.933 -8.512 1.00 0.00 C ATOM 1124 CD ARG A 71 -6.418 3.528 -9.861 1.00 0.00 C ATOM 1125 NE ARG A 71 -5.399 3.929 -10.871 1.00 0.00 N ATOM 1126 CZ ARG A 71 -4.936 3.050 -11.719 1.00 0.00 C ATOM 1127 NH1 ARG A 71 -5.667 2.023 -12.060 1.00 0.00 N ATOM 1128 NH2 ARG A 71 -3.743 3.196 -12.227 1.00 0.00 N ATOM 0 H ARG A 71 -5.209 5.258 -6.203 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.216 2.517 -5.381 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.915 2.263 -7.685 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.532 3.829 -7.197 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.847 5.017 -8.401 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.775 3.633 -8.460 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.612 2.456 -9.901 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.369 4.031 -10.039 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.062 4.891 -10.900 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.600 1.907 -11.664 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.305 1.337 -12.722 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.170 3.997 -11.962 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.383 2.509 -12.889 1.00 0.00 H new ATOM 1142 N LYS A 72 -3.454 3.570 -6.720 1.00 0.00 N ATOM 1143 CA LYS A 72 -2.053 3.147 -7.010 1.00 0.00 C ATOM 1144 C LYS A 72 -1.083 3.910 -6.102 1.00 0.00 C ATOM 1145 O LYS A 72 -1.004 5.121 -6.142 1.00 0.00 O ATOM 1146 CB LYS A 72 -1.828 3.517 -8.476 1.00 0.00 C ATOM 1147 CG LYS A 72 -0.372 3.250 -8.858 1.00 0.00 C ATOM 1148 CD LYS A 72 -0.232 1.802 -9.331 1.00 0.00 C ATOM 1149 CE LYS A 72 -0.058 1.779 -10.850 1.00 0.00 C ATOM 1150 NZ LYS A 72 -1.354 1.266 -11.376 1.00 0.00 N ATOM 0 H LYS A 72 -3.625 4.573 -6.794 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.888 2.084 -6.831 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.494 2.936 -9.114 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.069 4.568 -8.637 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.059 3.934 -9.647 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.279 3.430 -8.003 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.625 1.331 -8.849 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.114 1.228 -9.046 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.160 2.774 -11.238 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.770 1.134 -11.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.421 1.471 -12.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.407 0.238 -11.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.139 1.730 -10.877 1.00 0.00 H new ATOM 1164 N GLU A 73 -0.352 3.211 -5.275 1.00 0.00 N ATOM 1165 CA GLU A 73 0.604 3.902 -4.357 1.00 0.00 C ATOM 1166 C GLU A 73 1.556 4.805 -5.146 1.00 0.00 C ATOM 1167 O GLU A 73 2.454 4.341 -5.819 1.00 0.00 O ATOM 1168 CB GLU A 73 1.378 2.775 -3.673 1.00 0.00 C ATOM 1169 CG GLU A 73 1.995 1.863 -4.733 1.00 0.00 C ATOM 1170 CD GLU A 73 2.069 0.433 -4.195 1.00 0.00 C ATOM 1171 OE1 GLU A 73 2.564 0.260 -3.093 1.00 0.00 O ATOM 1172 OE2 GLU A 73 1.627 -0.466 -4.892 1.00 0.00 O ATOM 0 H GLU A 73 -0.374 2.194 -5.194 1.00 0.00 H new ATOM 0 HA GLU A 73 0.091 4.543 -3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.159 3.190 -3.036 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.712 2.202 -3.028 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.397 1.890 -5.644 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.992 2.216 -4.996 1.00 0.00 H new ATOM 1179 N CYS A 74 1.367 6.097 -5.063 1.00 0.00 N ATOM 1180 CA CYS A 74 2.260 7.039 -5.802 1.00 0.00 C ATOM 1181 C CYS A 74 1.671 8.453 -5.778 1.00 0.00 C ATOM 1182 O CYS A 74 2.367 9.425 -5.560 1.00 0.00 O ATOM 1183 CB CYS A 74 2.309 6.507 -7.236 1.00 0.00 C ATOM 1184 SG CYS A 74 4.010 6.053 -7.656 1.00 0.00 S ATOM 0 H CYS A 74 0.631 6.541 -4.514 1.00 0.00 H new ATOM 0 HA CYS A 74 3.253 7.097 -5.356 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.655 5.641 -7.336 1.00 0.00 H new ATOM 0 HB3 CYS A 74 1.942 7.265 -7.929 1.00 0.00 H new ATOM 0 HG CYS A 74 4.309 4.921 -7.091 1.00 0.00 H new ATOM 1190 N TRP A 75 0.390 8.573 -6.005 1.00 0.00 N ATOM 1191 CA TRP A 75 -0.255 9.919 -6.001 1.00 0.00 C ATOM 1192 C TRP A 75 -0.407 10.428 -4.564 1.00 0.00 C ATOM 1193 O TRP A 75 -1.271 9.991 -3.831 1.00 0.00 O ATOM 1194 CB TRP A 75 -1.624 9.677 -6.648 1.00 0.00 C ATOM 1195 CG TRP A 75 -2.639 10.668 -6.155 1.00 0.00 C ATOM 1196 CD1 TRP A 75 -2.863 11.888 -6.691 1.00 0.00 C ATOM 1197 CD2 TRP A 75 -3.581 10.533 -5.051 1.00 0.00 C ATOM 1198 NE1 TRP A 75 -3.873 12.513 -5.985 1.00 0.00 N ATOM 1199 CE2 TRP A 75 -4.349 11.717 -4.964 1.00 0.00 C ATOM 1200 CE3 TRP A 75 -3.835 9.509 -4.127 1.00 0.00 C ATOM 1201 CZ2 TRP A 75 -5.337 11.878 -3.994 1.00 0.00 C ATOM 1202 CZ3 TRP A 75 -4.830 9.665 -3.148 1.00 0.00 C ATOM 1203 CH2 TRP A 75 -5.580 10.848 -3.081 1.00 0.00 C ATOM 0 H TRP A 75 -0.240 7.793 -6.194 1.00 0.00 H new ATOM 0 HA TRP A 75 0.325 10.673 -6.533 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -1.535 9.751 -7.732 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -1.961 8.665 -6.424 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -2.337 12.307 -7.536 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -4.223 13.448 -6.193 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -3.262 8.595 -4.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -5.911 12.792 -3.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -5.019 8.869 -2.443 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -6.343 10.963 -2.326 1.00 0.00 H new ATOM 1214 N ASP A 76 0.417 11.353 -4.158 1.00 0.00 N ATOM 1215 CA ASP A 76 0.298 11.882 -2.770 1.00 0.00 C ATOM 1216 C ASP A 76 -0.515 13.181 -2.766 1.00 0.00 C ATOM 1217 O ASP A 76 -0.170 14.141 -3.424 1.00 0.00 O ATOM 1218 CB ASP A 76 1.730 12.148 -2.316 1.00 0.00 C ATOM 1219 CG ASP A 76 1.815 11.976 -0.801 1.00 0.00 C ATOM 1220 OD1 ASP A 76 1.585 10.871 -0.338 1.00 0.00 O ATOM 1221 OD2 ASP A 76 2.104 12.951 -0.128 1.00 0.00 O ATOM 0 H ASP A 76 1.162 11.763 -4.721 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.213 11.183 -2.108 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.415 11.460 -2.811 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.032 13.157 -2.597 1.00 0.00 H new ATOM 1226 N ARG A 77 -1.592 13.216 -2.029 1.00 0.00 N ATOM 1227 CA ARG A 77 -2.423 14.454 -1.986 1.00 0.00 C ATOM 1228 C ARG A 77 -1.870 15.431 -0.945 1.00 0.00 C ATOM 1229 O ARG A 77 -2.399 16.508 -0.751 1.00 0.00 O ATOM 1230 CB ARG A 77 -3.824 13.988 -1.586 1.00 0.00 C ATOM 1231 CG ARG A 77 -3.787 13.385 -0.180 1.00 0.00 C ATOM 1232 CD ARG A 77 -3.946 14.498 0.860 1.00 0.00 C ATOM 1233 NE ARG A 77 -5.268 14.243 1.495 1.00 0.00 N ATOM 1234 CZ ARG A 77 -5.753 15.094 2.358 1.00 0.00 C ATOM 1235 NH1 ARG A 77 -5.259 15.152 3.564 1.00 0.00 N ATOM 1236 NH2 ARG A 77 -6.733 15.885 2.015 1.00 0.00 N ATOM 0 H ARG A 77 -1.932 12.443 -1.456 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.426 14.975 -2.943 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -4.518 14.828 -1.613 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.189 13.249 -2.299 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.585 12.651 -0.067 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.845 12.859 -0.024 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.142 14.469 1.596 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.915 15.482 0.393 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.795 13.403 1.256 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.494 14.533 3.832 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.638 15.817 4.239 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.120 15.838 1.072 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.112 16.550 2.690 1.00 0.00 H new ATOM 1250 N ASP A 78 -0.814 15.066 -0.271 1.00 0.00 N ATOM 1251 CA ASP A 78 -0.239 15.980 0.757 1.00 0.00 C ATOM 1252 C ASP A 78 1.233 16.267 0.451 1.00 0.00 C ATOM 1253 O ASP A 78 1.871 17.061 1.114 1.00 0.00 O ATOM 1254 CB ASP A 78 -0.374 15.222 2.079 1.00 0.00 C ATOM 1255 CG ASP A 78 -1.216 16.048 3.054 1.00 0.00 C ATOM 1256 OD1 ASP A 78 -2.389 16.238 2.776 1.00 0.00 O ATOM 1257 OD2 ASP A 78 -0.674 16.475 4.059 1.00 0.00 O ATOM 0 H ASP A 78 -0.326 14.178 -0.387 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.749 16.943 0.783 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -0.841 14.252 1.909 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.611 15.031 2.504 1.00 0.00 H new ATOM 1262 N GLY A 79 1.776 15.627 -0.547 1.00 0.00 N ATOM 1263 CA GLY A 79 3.207 15.865 -0.892 1.00 0.00 C ATOM 1264 C GLY A 79 4.057 14.718 -0.341 1.00 0.00 C ATOM 1265 O GLY A 79 4.892 14.165 -1.030 1.00 0.00 O ATOM 0 H GLY A 79 1.293 14.951 -1.138 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.326 15.934 -1.973 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.541 16.814 -0.473 1.00 0.00 H new ATOM 1269 N LYS A 80 3.850 14.354 0.896 1.00 0.00 N ATOM 1270 CA LYS A 80 4.644 13.240 1.491 1.00 0.00 C ATOM 1271 C LYS A 80 4.242 11.911 0.851 1.00 0.00 C ATOM 1272 O LYS A 80 3.249 11.317 1.219 1.00 0.00 O ATOM 1273 CB LYS A 80 4.281 13.246 2.975 1.00 0.00 C ATOM 1274 CG LYS A 80 4.608 14.614 3.576 1.00 0.00 C ATOM 1275 CD LYS A 80 6.109 14.701 3.853 1.00 0.00 C ATOM 1276 CE LYS A 80 6.668 15.987 3.243 1.00 0.00 C ATOM 1277 NZ LYS A 80 5.952 17.088 3.945 1.00 0.00 N ATOM 0 H LYS A 80 3.165 14.780 1.521 1.00 0.00 H new ATOM 0 HA LYS A 80 5.715 13.363 1.331 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.221 13.026 3.102 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.834 12.466 3.498 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.307 15.406 2.890 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.047 14.761 4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.293 14.686 4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.618 13.835 3.431 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.745 16.059 3.392 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.491 16.023 2.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.578 17.915 4.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.101 17.348 3.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.676 16.771 4.896 1.00 0.00 H new ATOM 1291 N GLU A 81 5.006 11.448 -0.107 1.00 0.00 N ATOM 1292 CA GLU A 81 4.680 10.157 -0.791 1.00 0.00 C ATOM 1293 C GLU A 81 4.042 9.165 0.188 1.00 0.00 C ATOM 1294 O GLU A 81 4.491 9.002 1.305 1.00 0.00 O ATOM 1295 CB GLU A 81 6.025 9.627 -1.291 1.00 0.00 C ATOM 1296 CG GLU A 81 6.428 10.379 -2.559 1.00 0.00 C ATOM 1297 CD GLU A 81 7.869 10.874 -2.421 1.00 0.00 C ATOM 1298 OE1 GLU A 81 8.220 11.323 -1.343 1.00 0.00 O ATOM 1299 OE2 GLU A 81 8.597 10.797 -3.398 1.00 0.00 O ATOM 0 H GLU A 81 5.848 11.912 -0.447 1.00 0.00 H new ATOM 0 HA GLU A 81 3.963 10.295 -1.600 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.787 9.754 -0.522 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.954 8.559 -1.496 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.338 9.725 -3.427 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.757 11.222 -2.724 1.00 0.00 H new ATOM 1306 N ARG A 82 2.989 8.509 -0.224 1.00 0.00 N ATOM 1307 CA ARG A 82 2.313 7.536 0.682 1.00 0.00 C ATOM 1308 C ARG A 82 1.723 6.374 -0.122 1.00 0.00 C ATOM 1309 O ARG A 82 1.829 6.323 -1.331 1.00 0.00 O ATOM 1310 CB ARG A 82 1.201 8.334 1.359 1.00 0.00 C ATOM 1311 CG ARG A 82 1.071 7.886 2.816 1.00 0.00 C ATOM 1312 CD ARG A 82 0.576 9.058 3.666 1.00 0.00 C ATOM 1313 NE ARG A 82 1.577 9.191 4.760 1.00 0.00 N ATOM 1314 CZ ARG A 82 1.249 9.786 5.874 1.00 0.00 C ATOM 1315 NH1 ARG A 82 0.067 9.596 6.391 1.00 0.00 N ATOM 1316 NH2 ARG A 82 2.103 10.575 6.470 1.00 0.00 N ATOM 0 H ARG A 82 2.569 8.605 -1.148 1.00 0.00 H new ATOM 0 HA ARG A 82 3.004 7.100 1.403 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.423 9.400 1.313 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.258 8.182 0.834 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.376 7.050 2.890 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.034 7.534 3.187 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.511 9.973 3.077 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -0.420 8.864 4.064 1.00 0.00 H new ATOM 0 HE ARG A 82 2.518 8.817 4.639 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -0.601 8.982 5.925 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -0.190 10.061 7.262 1.00 0.00 H new ATOM 0 HH21 ARG A 82 3.027 10.726 6.064 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.846 11.040 7.341 1.00 0.00 H new ATOM 1330 N VAL A 83 1.102 5.439 0.547 1.00 0.00 N ATOM 1331 CA VAL A 83 0.501 4.272 -0.164 1.00 0.00 C ATOM 1332 C VAL A 83 -0.826 4.667 -0.820 1.00 0.00 C ATOM 1333 O VAL A 83 -1.321 5.761 -0.637 1.00 0.00 O ATOM 1334 CB VAL A 83 0.257 3.233 0.930 1.00 0.00 C ATOM 1335 CG1 VAL A 83 -0.722 3.804 1.959 1.00 0.00 C ATOM 1336 CG2 VAL A 83 -0.340 1.968 0.310 1.00 0.00 C ATOM 0 H VAL A 83 0.985 5.433 1.560 1.00 0.00 H new ATOM 0 HA VAL A 83 1.148 3.898 -0.957 1.00 0.00 H new ATOM 0 HB VAL A 83 1.201 2.988 1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.899 3.066 2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.300 4.707 2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.665 4.046 1.469 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.514 1.227 1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.285 2.212 -0.176 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.353 1.562 -0.427 1.00 0.00 H new ATOM 1346 N THR A 84 -1.406 3.776 -1.579 1.00 0.00 N ATOM 1347 CA THR A 84 -2.704 4.090 -2.240 1.00 0.00 C ATOM 1348 C THR A 84 -3.838 4.069 -1.210 1.00 0.00 C ATOM 1349 O THR A 84 -4.977 4.359 -1.517 1.00 0.00 O ATOM 1350 CB THR A 84 -2.906 2.982 -3.275 1.00 0.00 C ATOM 1351 OG1 THR A 84 -4.220 3.070 -3.809 1.00 0.00 O ATOM 1352 CG2 THR A 84 -2.714 1.617 -2.614 1.00 0.00 C ATOM 0 H THR A 84 -1.036 2.845 -1.769 1.00 0.00 H new ATOM 0 HA THR A 84 -2.703 5.079 -2.698 1.00 0.00 H new ATOM 0 HB THR A 84 -2.177 3.099 -4.077 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.648 2.189 -3.772 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.859 0.830 -3.355 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.706 1.549 -2.205 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.440 1.497 -1.810 1.00 0.00 H new ATOM 1360 N GLY A 85 -3.536 3.727 0.011 1.00 0.00 N ATOM 1361 CA GLY A 85 -4.598 3.690 1.054 1.00 0.00 C ATOM 1362 C GLY A 85 -4.988 5.119 1.424 1.00 0.00 C ATOM 1363 O GLY A 85 -5.990 5.354 2.069 1.00 0.00 O ATOM 0 H GLY A 85 -2.602 3.472 0.331 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.468 3.147 0.685 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.240 3.158 1.936 1.00 0.00 H new ATOM 1367 N GLU A 86 -4.201 6.078 1.018 1.00 0.00 N ATOM 1368 CA GLU A 86 -4.524 7.495 1.344 1.00 0.00 C ATOM 1369 C GLU A 86 -5.745 7.955 0.538 1.00 0.00 C ATOM 1370 O GLU A 86 -6.223 7.257 -0.333 1.00 0.00 O ATOM 1371 CB GLU A 86 -3.270 8.285 0.946 1.00 0.00 C ATOM 1372 CG GLU A 86 -3.269 8.549 -0.562 1.00 0.00 C ATOM 1373 CD GLU A 86 -1.995 9.302 -0.947 1.00 0.00 C ATOM 1374 OE1 GLU A 86 -0.975 8.654 -1.117 1.00 0.00 O ATOM 1375 OE2 GLU A 86 -2.060 10.515 -1.066 1.00 0.00 O ATOM 0 H GLU A 86 -3.349 5.941 0.475 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.773 7.638 2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.239 9.230 1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.376 7.728 1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.326 7.607 -1.107 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.147 9.132 -0.841 1.00 0.00 H new ATOM 1382 N GLU A 87 -6.253 9.123 0.821 1.00 0.00 N ATOM 1383 CA GLU A 87 -7.440 9.615 0.064 1.00 0.00 C ATOM 1384 C GLU A 87 -7.548 11.138 0.170 1.00 0.00 C ATOM 1385 O GLU A 87 -6.820 11.773 0.908 1.00 0.00 O ATOM 1386 CB GLU A 87 -8.641 8.945 0.733 1.00 0.00 C ATOM 1387 CG GLU A 87 -8.724 9.389 2.196 1.00 0.00 C ATOM 1388 CD GLU A 87 -8.224 8.263 3.102 1.00 0.00 C ATOM 1389 OE1 GLU A 87 -7.885 7.213 2.579 1.00 0.00 O ATOM 1390 OE2 GLU A 87 -8.188 8.468 4.304 1.00 0.00 O ATOM 0 H GLU A 87 -5.900 9.755 1.539 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.377 9.377 -0.998 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.559 9.212 0.208 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.545 7.861 0.676 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.124 10.286 2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.752 9.646 2.451 1.00 0.00 H new ATOM 1397 N TRP A 88 -8.453 11.728 -0.564 1.00 0.00 N ATOM 1398 CA TRP A 88 -8.609 13.209 -0.512 1.00 0.00 C ATOM 1399 C TRP A 88 -10.033 13.598 -0.942 1.00 0.00 C ATOM 1400 O TRP A 88 -10.679 12.891 -1.690 1.00 0.00 O ATOM 1401 CB TRP A 88 -7.529 13.743 -1.478 1.00 0.00 C ATOM 1402 CG TRP A 88 -8.136 14.494 -2.632 1.00 0.00 C ATOM 1403 CD1 TRP A 88 -9.022 13.980 -3.515 1.00 0.00 C ATOM 1404 CD2 TRP A 88 -7.907 15.875 -3.040 1.00 0.00 C ATOM 1405 NE1 TRP A 88 -9.356 14.959 -4.434 1.00 0.00 N ATOM 1406 CE2 TRP A 88 -8.696 16.144 -4.183 1.00 0.00 C ATOM 1407 CE3 TRP A 88 -7.102 16.912 -2.532 1.00 0.00 C ATOM 1408 CZ2 TRP A 88 -8.686 17.395 -4.801 1.00 0.00 C ATOM 1409 CZ3 TRP A 88 -7.090 18.173 -3.153 1.00 0.00 C ATOM 1410 CH2 TRP A 88 -7.881 18.414 -4.284 1.00 0.00 C ATOM 0 H TRP A 88 -9.091 11.247 -1.198 1.00 0.00 H new ATOM 0 HA TRP A 88 -8.479 13.628 0.486 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -6.848 14.398 -0.936 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.936 12.911 -1.857 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -9.406 12.971 -3.505 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -10.011 14.821 -5.204 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -6.490 16.738 -1.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -9.297 17.575 -5.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -6.467 18.961 -2.756 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -7.869 19.386 -4.756 1.00 0.00 H new ATOM 1421 N LEU A 89 -10.522 14.718 -0.482 1.00 0.00 N ATOM 1422 CA LEU A 89 -11.895 15.147 -0.876 1.00 0.00 C ATOM 1423 C LEU A 89 -11.841 16.523 -1.542 1.00 0.00 C ATOM 1424 O LEU A 89 -11.327 17.475 -0.987 1.00 0.00 O ATOM 1425 CB LEU A 89 -12.694 15.200 0.433 1.00 0.00 C ATOM 1426 CG LEU A 89 -13.953 16.068 0.266 1.00 0.00 C ATOM 1427 CD1 LEU A 89 -13.590 17.539 0.473 1.00 0.00 C ATOM 1428 CD2 LEU A 89 -14.544 15.882 -1.134 1.00 0.00 C ATOM 0 H LEU A 89 -10.032 15.353 0.148 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.353 14.467 -1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.979 14.191 0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -12.070 15.605 1.230 1.00 0.00 H new ATOM 0 HG LEU A 89 -14.693 15.763 1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.482 18.154 0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.185 17.676 1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.844 17.837 -0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -15.434 16.502 -1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.807 16.176 -1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.811 14.835 -1.280 1.00 0.00 H new ATOM 1440 N VAL A 90 -12.366 16.631 -2.731 1.00 0.00 N ATOM 1441 CA VAL A 90 -12.342 17.942 -3.439 1.00 0.00 C ATOM 1442 C VAL A 90 -13.736 18.579 -3.424 1.00 0.00 C ATOM 1443 O VAL A 90 -14.735 17.913 -3.602 1.00 0.00 O ATOM 1444 CB VAL A 90 -11.912 17.602 -4.868 1.00 0.00 C ATOM 1445 CG1 VAL A 90 -13.094 17.006 -5.637 1.00 0.00 C ATOM 1446 CG2 VAL A 90 -11.434 18.872 -5.573 1.00 0.00 C ATOM 0 H VAL A 90 -12.810 15.869 -3.243 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.668 18.659 -2.970 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.101 16.875 -4.835 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.783 16.766 -6.654 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.433 16.099 -5.137 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -13.909 17.729 -5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.128 18.630 -6.591 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.245 19.600 -5.602 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.588 19.293 -5.030 1.00 0.00 H new ATOM 1456 N THR A 91 -13.808 19.864 -3.209 1.00 0.00 N ATOM 1457 CA THR A 91 -15.137 20.541 -3.180 1.00 0.00 C ATOM 1458 C THR A 91 -15.048 21.921 -3.838 1.00 0.00 C ATOM 1459 O THR A 91 -15.485 22.912 -3.285 1.00 0.00 O ATOM 1460 CB THR A 91 -15.477 20.678 -1.696 1.00 0.00 C ATOM 1461 OG1 THR A 91 -16.705 21.378 -1.557 1.00 0.00 O ATOM 1462 CG2 THR A 91 -14.364 21.448 -0.984 1.00 0.00 C ATOM 0 H THR A 91 -13.006 20.474 -3.052 1.00 0.00 H new ATOM 0 HA THR A 91 -15.896 19.980 -3.725 1.00 0.00 H new ATOM 0 HB THR A 91 -15.571 19.687 -1.251 1.00 0.00 H new ATOM 0 HG1 THR A 91 -16.631 22.256 -1.985 1.00 0.00 H new ATOM 0 HG21 THR A 91 -14.608 21.545 0.074 1.00 0.00 H new ATOM 0 HG22 THR A 91 -13.423 20.909 -1.092 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.267 22.440 -1.426 1.00 0.00 H new ATOM 1470 N THR A 92 -14.487 21.995 -5.014 1.00 0.00 N ATOM 1471 CA THR A 92 -14.373 23.313 -5.703 1.00 0.00 C ATOM 1472 C THR A 92 -15.595 23.553 -6.596 1.00 0.00 C ATOM 1473 O THR A 92 -16.069 22.660 -7.270 1.00 0.00 O ATOM 1474 CB THR A 92 -13.098 23.208 -6.545 1.00 0.00 C ATOM 1475 OG1 THR A 92 -11.975 23.067 -5.686 1.00 0.00 O ATOM 1476 CG2 THR A 92 -12.940 24.471 -7.390 1.00 0.00 C ATOM 0 H THR A 92 -14.103 21.202 -5.527 1.00 0.00 H new ATOM 0 HA THR A 92 -14.330 24.146 -5.001 1.00 0.00 H new ATOM 0 HB THR A 92 -13.165 22.340 -7.201 1.00 0.00 H new ATOM 0 HG1 THR A 92 -11.159 22.998 -6.224 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.033 24.397 -7.989 1.00 0.00 H new ATOM 0 HG22 THR A 92 -13.802 24.578 -8.048 1.00 0.00 H new ATOM 0 HG23 THR A 92 -12.872 25.340 -6.736 1.00 0.00 H new ATOM 1484 N VAL A 93 -16.111 24.753 -6.605 1.00 0.00 N ATOM 1485 CA VAL A 93 -17.302 25.047 -7.453 1.00 0.00 C ATOM 1486 C VAL A 93 -16.907 25.055 -8.933 1.00 0.00 C ATOM 1487 O VAL A 93 -15.856 25.539 -9.298 1.00 0.00 O ATOM 1488 CB VAL A 93 -17.768 26.436 -7.015 1.00 0.00 C ATOM 1489 CG1 VAL A 93 -19.125 26.742 -7.651 1.00 0.00 C ATOM 1490 CG2 VAL A 93 -17.898 26.470 -5.491 1.00 0.00 C ATOM 0 H VAL A 93 -15.759 25.542 -6.062 1.00 0.00 H new ATOM 0 HA VAL A 93 -18.087 24.299 -7.337 1.00 0.00 H new ATOM 0 HB VAL A 93 -17.041 27.183 -7.335 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -19.458 27.732 -7.339 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -19.032 26.716 -8.737 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -19.853 25.997 -7.331 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -18.230 27.459 -5.176 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -18.626 25.724 -5.171 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -16.931 26.251 -5.038 1.00 0.00 H new ATOM 1500 N GLY A 94 -17.741 24.522 -9.786 1.00 0.00 N ATOM 1501 CA GLY A 94 -17.407 24.499 -11.239 1.00 0.00 C ATOM 1502 C GLY A 94 -15.941 24.099 -11.410 1.00 0.00 C ATOM 1503 O GLY A 94 -15.078 24.935 -11.590 1.00 0.00 O ATOM 0 H GLY A 94 -18.637 24.102 -9.539 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -18.053 23.793 -11.762 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -17.583 25.480 -11.681 1.00 0.00 H new ATOM 1507 N ALA A 95 -15.650 22.829 -11.346 1.00 0.00 N ATOM 1508 CA ALA A 95 -14.235 22.381 -11.493 1.00 0.00 C ATOM 1509 C ALA A 95 -14.170 20.925 -11.965 1.00 0.00 C ATOM 1510 O ALA A 95 -15.074 20.147 -11.735 1.00 0.00 O ATOM 1511 CB ALA A 95 -13.635 22.513 -10.096 1.00 0.00 C ATOM 0 H ALA A 95 -16.329 22.082 -11.199 1.00 0.00 H new ATOM 0 HA ALA A 95 -13.697 22.972 -12.234 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -12.591 22.201 -10.118 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.697 23.551 -9.770 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -14.188 21.881 -9.401 1.00 0.00 H new ATOM 1517 N TYR A 96 -13.102 20.556 -12.621 1.00 0.00 N ATOM 1518 CA TYR A 96 -12.961 19.155 -13.113 1.00 0.00 C ATOM 1519 C TYR A 96 -11.753 18.486 -12.448 1.00 0.00 C ATOM 1520 O TYR A 96 -11.165 17.572 -12.990 1.00 0.00 O ATOM 1521 CB TYR A 96 -12.736 19.300 -14.620 1.00 0.00 C ATOM 1522 CG TYR A 96 -12.440 17.951 -15.229 1.00 0.00 C ATOM 1523 CD1 TYR A 96 -13.002 16.794 -14.678 1.00 0.00 C ATOM 1524 CD2 TYR A 96 -11.602 17.857 -16.349 1.00 0.00 C ATOM 1525 CE1 TYR A 96 -12.727 15.544 -15.245 1.00 0.00 C ATOM 1526 CE2 TYR A 96 -11.327 16.607 -16.915 1.00 0.00 C ATOM 1527 CZ TYR A 96 -11.890 15.450 -16.364 1.00 0.00 C ATOM 1528 OH TYR A 96 -11.619 14.217 -16.922 1.00 0.00 O ATOM 0 H TYR A 96 -12.316 21.169 -12.838 1.00 0.00 H new ATOM 0 HA TYR A 96 -13.830 18.538 -12.885 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -13.620 19.734 -15.088 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -11.908 19.983 -14.808 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -13.648 16.865 -13.815 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -11.168 18.750 -16.775 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.161 14.651 -14.819 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -10.680 16.535 -17.777 1.00 0.00 H new ATOM 0 HH TYR A 96 -11.023 14.330 -17.692 1.00 0.00 H new ATOM 1538 N LEU A 97 -11.385 18.947 -11.280 1.00 0.00 N ATOM 1539 CA LEU A 97 -10.212 18.364 -10.552 1.00 0.00 C ATOM 1540 C LEU A 97 -10.092 16.857 -10.801 1.00 0.00 C ATOM 1541 O LEU A 97 -10.673 16.064 -10.087 1.00 0.00 O ATOM 1542 CB LEU A 97 -10.506 18.629 -9.073 1.00 0.00 C ATOM 1543 CG LEU A 97 -9.680 19.820 -8.589 1.00 0.00 C ATOM 1544 CD1 LEU A 97 -8.206 19.420 -8.503 1.00 0.00 C ATOM 1545 CD2 LEU A 97 -9.840 20.982 -9.571 1.00 0.00 C ATOM 0 H LEU A 97 -11.852 19.712 -10.792 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.273 18.806 -10.885 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -11.568 18.830 -8.934 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.269 17.745 -8.481 1.00 0.00 H new ATOM 0 HG LEU A 97 -10.028 20.127 -7.603 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.618 20.270 -8.158 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.094 18.593 -7.802 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -7.855 19.112 -9.488 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.251 21.833 -9.227 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.492 20.675 -10.557 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.890 21.267 -9.629 1.00 0.00 H new ATOM 1557 N PRO A 98 -9.332 16.510 -11.806 1.00 0.00 N ATOM 1558 CA PRO A 98 -9.122 15.092 -12.154 1.00 0.00 C ATOM 1559 C PRO A 98 -7.889 14.541 -11.429 1.00 0.00 C ATOM 1560 O PRO A 98 -6.778 14.971 -11.661 1.00 0.00 O ATOM 1561 CB PRO A 98 -8.882 15.143 -13.656 1.00 0.00 C ATOM 1562 CG PRO A 98 -8.364 16.527 -13.941 1.00 0.00 C ATOM 1563 CD PRO A 98 -8.603 17.389 -12.718 1.00 0.00 C ATOM 0 HA PRO A 98 -9.954 14.447 -11.872 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -8.162 14.385 -13.963 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -9.803 14.949 -14.206 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -7.301 16.492 -14.179 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -8.871 16.950 -14.808 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -7.665 17.730 -12.280 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -9.182 18.279 -12.963 1.00 0.00 H new ATOM 1571 N ALA A 99 -8.077 13.590 -10.557 1.00 0.00 N ATOM 1572 CA ALA A 99 -6.915 13.011 -9.820 1.00 0.00 C ATOM 1573 C ALA A 99 -6.038 12.191 -10.770 1.00 0.00 C ATOM 1574 O ALA A 99 -6.391 11.952 -11.908 1.00 0.00 O ATOM 1575 CB ALA A 99 -7.532 12.110 -8.750 1.00 0.00 C ATOM 0 H ALA A 99 -8.984 13.188 -10.322 1.00 0.00 H new ATOM 0 HA ALA A 99 -6.278 13.782 -9.387 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.739 11.646 -8.164 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -8.167 12.706 -8.094 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.131 11.335 -9.228 1.00 0.00 H new ATOM 1581 N VAL A 100 -4.897 11.756 -10.307 1.00 0.00 N ATOM 1582 CA VAL A 100 -3.994 10.946 -11.178 1.00 0.00 C ATOM 1583 C VAL A 100 -4.169 9.455 -10.850 1.00 0.00 C ATOM 1584 O VAL A 100 -4.532 8.665 -11.698 1.00 0.00 O ATOM 1585 CB VAL A 100 -2.570 11.427 -10.854 1.00 0.00 C ATOM 1586 CG1 VAL A 100 -1.663 11.181 -12.060 1.00 0.00 C ATOM 1587 CG2 VAL A 100 -2.579 12.929 -10.541 1.00 0.00 C ATOM 0 H VAL A 100 -4.550 11.926 -9.363 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.213 11.067 -12.239 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.201 10.877 -9.988 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.653 11.522 -11.831 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.643 10.116 -12.289 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.045 11.730 -12.921 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.566 13.259 -10.313 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.954 13.478 -11.405 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -3.224 13.118 -9.683 1.00 0.00 H new ATOM 1597 N PHE A 101 -3.937 9.070 -9.621 1.00 0.00 N ATOM 1598 CA PHE A 101 -4.115 7.634 -9.232 1.00 0.00 C ATOM 1599 C PHE A 101 -5.212 7.531 -8.171 1.00 0.00 C ATOM 1600 O PHE A 101 -5.102 6.779 -7.223 1.00 0.00 O ATOM 1601 CB PHE A 101 -2.789 7.200 -8.612 1.00 0.00 C ATOM 1602 CG PHE A 101 -1.669 7.299 -9.615 1.00 0.00 C ATOM 1603 CD1 PHE A 101 -1.937 7.249 -10.985 1.00 0.00 C ATOM 1604 CD2 PHE A 101 -0.351 7.433 -9.163 1.00 0.00 C ATOM 1605 CE1 PHE A 101 -0.887 7.336 -11.906 1.00 0.00 C ATOM 1606 CE2 PHE A 101 0.699 7.518 -10.081 1.00 0.00 C ATOM 1607 CZ PHE A 101 0.432 7.469 -11.453 1.00 0.00 C ATOM 0 H PHE A 101 -3.632 9.687 -8.868 1.00 0.00 H new ATOM 0 HA PHE A 101 -4.390 7.016 -10.087 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -2.565 7.825 -7.748 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -2.870 6.175 -8.251 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -2.954 7.143 -11.333 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -0.145 7.471 -8.103 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.093 7.301 -12.966 1.00 0.00 H new ATOM 0 HE2 PHE A 101 1.716 7.621 -9.731 1.00 0.00 H new ATOM 0 HZ PHE A 101 1.243 7.534 -12.163 1.00 0.00 H new ATOM 1617 N GLU A 102 -6.253 8.300 -8.302 1.00 0.00 N ATOM 1618 CA GLU A 102 -7.332 8.263 -7.276 1.00 0.00 C ATOM 1619 C GLU A 102 -8.711 8.153 -7.937 1.00 0.00 C ATOM 1620 O GLU A 102 -9.022 8.856 -8.877 1.00 0.00 O ATOM 1621 CB GLU A 102 -7.160 9.592 -6.533 1.00 0.00 C ATOM 1622 CG GLU A 102 -8.468 10.017 -5.869 1.00 0.00 C ATOM 1623 CD GLU A 102 -8.220 11.298 -5.073 1.00 0.00 C ATOM 1624 OE1 GLU A 102 -8.148 12.350 -5.687 1.00 0.00 O ATOM 1625 OE2 GLU A 102 -8.104 11.207 -3.861 1.00 0.00 O ATOM 0 H GLU A 102 -6.405 8.951 -9.072 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.266 7.403 -6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.380 9.493 -5.779 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.834 10.364 -7.230 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.238 10.184 -6.623 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.832 9.228 -5.211 1.00 0.00 H new ATOM 1632 N GLU A 103 -9.537 7.265 -7.448 1.00 0.00 N ATOM 1633 CA GLU A 103 -10.897 7.095 -8.041 1.00 0.00 C ATOM 1634 C GLU A 103 -11.955 7.716 -7.124 1.00 0.00 C ATOM 1635 O GLU A 103 -11.670 8.113 -6.010 1.00 0.00 O ATOM 1636 CB GLU A 103 -11.098 5.582 -8.141 1.00 0.00 C ATOM 1637 CG GLU A 103 -12.047 5.268 -9.301 1.00 0.00 C ATOM 1638 CD GLU A 103 -11.952 3.782 -9.652 1.00 0.00 C ATOM 1639 OE1 GLU A 103 -12.384 2.973 -8.848 1.00 0.00 O ATOM 1640 OE2 GLU A 103 -11.448 3.478 -10.721 1.00 0.00 O ATOM 0 H GLU A 103 -9.328 6.649 -6.662 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.989 7.585 -9.010 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.140 5.087 -8.297 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -11.508 5.196 -7.207 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -13.071 5.523 -9.026 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -11.790 5.875 -10.169 1.00 0.00 H new ATOM 1647 N VAL A 104 -13.174 7.806 -7.582 1.00 0.00 N ATOM 1648 CA VAL A 104 -14.245 8.402 -6.739 1.00 0.00 C ATOM 1649 C VAL A 104 -15.107 7.299 -6.116 1.00 0.00 C ATOM 1650 O VAL A 104 -15.353 6.276 -6.722 1.00 0.00 O ATOM 1651 CB VAL A 104 -15.070 9.249 -7.706 1.00 0.00 C ATOM 1652 CG1 VAL A 104 -15.826 8.333 -8.671 1.00 0.00 C ATOM 1653 CG2 VAL A 104 -16.070 10.089 -6.914 1.00 0.00 C ATOM 0 H VAL A 104 -13.473 7.492 -8.505 1.00 0.00 H new ATOM 0 HA VAL A 104 -13.847 8.991 -5.913 1.00 0.00 H new ATOM 0 HB VAL A 104 -14.408 9.905 -8.272 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -16.415 8.938 -9.361 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -15.113 7.730 -9.234 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -16.489 7.678 -8.106 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -16.661 10.695 -7.601 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -16.731 9.431 -6.350 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -15.533 10.741 -6.225 1.00 0.00 H new ATOM 1663 N LEU A 105 -15.567 7.497 -4.911 1.00 0.00 N ATOM 1664 CA LEU A 105 -16.412 6.458 -4.255 1.00 0.00 C ATOM 1665 C LEU A 105 -17.884 6.875 -4.294 1.00 0.00 C ATOM 1666 O LEU A 105 -18.764 6.068 -4.517 1.00 0.00 O ATOM 1667 CB LEU A 105 -15.914 6.390 -2.808 1.00 0.00 C ATOM 1668 CG LEU A 105 -14.413 6.081 -2.776 1.00 0.00 C ATOM 1669 CD1 LEU A 105 -14.083 4.990 -3.798 1.00 0.00 C ATOM 1670 CD2 LEU A 105 -13.621 7.347 -3.110 1.00 0.00 C ATOM 0 H LEU A 105 -15.395 8.333 -4.352 1.00 0.00 H new ATOM 0 HA LEU A 105 -16.339 5.492 -4.755 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -16.108 7.337 -2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -16.462 5.621 -2.263 1.00 0.00 H new ATOM 0 HG LEU A 105 -14.142 5.733 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -13.015 4.776 -3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -14.641 4.085 -3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -14.358 5.331 -4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -12.554 7.125 -3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -13.897 7.697 -4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -13.847 8.121 -2.377 1.00 0.00 H new ATOM 1682 N ASP A 106 -18.156 8.132 -4.078 1.00 0.00 N ATOM 1683 CA ASP A 106 -19.569 8.609 -4.100 1.00 0.00 C ATOM 1684 C ASP A 106 -19.605 10.128 -4.287 1.00 0.00 C ATOM 1685 O ASP A 106 -18.588 10.791 -4.242 1.00 0.00 O ATOM 1686 CB ASP A 106 -20.141 8.218 -2.736 1.00 0.00 C ATOM 1687 CG ASP A 106 -19.205 8.708 -1.630 1.00 0.00 C ATOM 1688 OD1 ASP A 106 -19.014 9.910 -1.531 1.00 0.00 O ATOM 1689 OD2 ASP A 106 -18.695 7.875 -0.899 1.00 0.00 O ATOM 0 H ASP A 106 -17.459 8.852 -3.887 1.00 0.00 H new ATOM 0 HA ASP A 106 -20.143 8.174 -4.918 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -21.132 8.653 -2.607 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -20.258 7.136 -2.675 1.00 0.00 H new ATOM 1694 N LEU A 107 -20.765 10.685 -4.496 1.00 0.00 N ATOM 1695 CA LEU A 107 -20.857 12.161 -4.688 1.00 0.00 C ATOM 1696 C LEU A 107 -21.789 12.778 -3.640 1.00 0.00 C ATOM 1697 O LEU A 107 -22.798 12.207 -3.279 1.00 0.00 O ATOM 1698 CB LEU A 107 -21.438 12.360 -6.094 1.00 0.00 C ATOM 1699 CG LEU A 107 -20.763 11.421 -7.106 1.00 0.00 C ATOM 1700 CD1 LEU A 107 -19.254 11.358 -6.852 1.00 0.00 C ATOM 1701 CD2 LEU A 107 -21.364 10.019 -6.982 1.00 0.00 C ATOM 0 H LEU A 107 -21.652 10.184 -4.542 1.00 0.00 H new ATOM 0 HA LEU A 107 -19.885 12.642 -4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -22.512 12.172 -6.078 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -21.300 13.396 -6.405 1.00 0.00 H new ATOM 0 HG LEU A 107 -20.933 11.805 -8.112 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -18.791 10.689 -7.577 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -18.826 12.355 -6.953 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -19.070 10.985 -5.845 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -20.885 9.353 -7.700 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -21.202 9.641 -5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -22.434 10.063 -7.185 1.00 0.00 H new ATOM 1713 N VAL A 108 -21.458 13.943 -3.157 1.00 0.00 N ATOM 1714 CA VAL A 108 -22.322 14.610 -2.139 1.00 0.00 C ATOM 1715 C VAL A 108 -22.692 16.015 -2.624 1.00 0.00 C ATOM 1716 O VAL A 108 -22.017 16.583 -3.457 1.00 0.00 O ATOM 1717 CB VAL A 108 -21.461 14.676 -0.877 1.00 0.00 C ATOM 1718 CG1 VAL A 108 -20.267 15.600 -1.121 1.00 0.00 C ATOM 1719 CG2 VAL A 108 -22.296 15.219 0.286 1.00 0.00 C ATOM 0 H VAL A 108 -20.623 14.465 -3.424 1.00 0.00 H new ATOM 0 HA VAL A 108 -23.256 14.077 -1.959 1.00 0.00 H new ATOM 0 HB VAL A 108 -21.103 13.676 -0.631 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -19.653 15.647 -0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -19.671 15.213 -1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -20.625 16.599 -1.369 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -21.681 15.265 1.185 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -22.656 16.218 0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -23.146 14.560 0.462 1.00 0.00 H new ATOM 1729 N ASP A 109 -23.756 16.580 -2.125 1.00 0.00 N ATOM 1730 CA ASP A 109 -24.146 17.947 -2.585 1.00 0.00 C ATOM 1731 C ASP A 109 -23.948 18.972 -1.465 1.00 0.00 C ATOM 1732 O ASP A 109 -24.524 18.864 -0.403 1.00 0.00 O ATOM 1733 CB ASP A 109 -25.626 17.837 -2.955 1.00 0.00 C ATOM 1734 CG ASP A 109 -26.465 17.713 -1.682 1.00 0.00 C ATOM 1735 OD1 ASP A 109 -26.122 16.890 -0.849 1.00 0.00 O ATOM 1736 OD2 ASP A 109 -27.435 18.442 -1.562 1.00 0.00 O ATOM 0 H ASP A 109 -24.369 16.161 -1.425 1.00 0.00 H new ATOM 0 HA ASP A 109 -23.538 18.281 -3.425 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -25.936 18.715 -3.523 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -25.788 16.970 -3.595 1.00 0.00 H new ATOM 1741 N ALA A 110 -23.140 19.972 -1.699 1.00 0.00 N ATOM 1742 CA ALA A 110 -22.917 21.006 -0.648 1.00 0.00 C ATOM 1743 C ALA A 110 -24.127 21.944 -0.572 1.00 0.00 C ATOM 1744 O ALA A 110 -25.024 21.875 -1.390 1.00 0.00 O ATOM 1745 CB ALA A 110 -21.671 21.766 -1.101 1.00 0.00 C ATOM 0 H ALA A 110 -22.627 20.117 -2.569 1.00 0.00 H new ATOM 0 HA ALA A 110 -22.788 20.573 0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -21.439 22.548 -0.378 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -20.830 21.076 -1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -21.854 22.217 -2.076 1.00 0.00 H new