USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 860 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 Set 1.1: A 22 MET CE :methyl 143:sc= -9.41! (180deg=-5.51!) USER MOD Set 1.2: A 74 ASN : amide:sc= -4.89! C(o=-15!,f=-20!) USER MOD Set 1.3: A 77 TYR OH : rot -45:sc= -0.216 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.28 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0587) USER MOD Single : A 33 TYR OH : rot -100:sc= 0.179 USER MOD Single : A 37 CYS SG : rot 180:sc= -0.317 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot 180:sc= -0.696 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 47 TYR OH : rot 165:sc= -1.24 USER MOD Single : A 48 THR OG1 : rot 71:sc= 0.113 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -120:sc=-0.00367 (180deg=-0.962) USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= -2.22 (180deg=-3.08!) USER MOD Single : A 54 TYR OH : rot 94:sc= -0.305 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -104:sc= -0.132 (180deg=-1.66!) USER MOD Single : A 68 THR OG1 : rot 130:sc= -0.0327 USER MOD Single : A 70 ASN : amide:sc= -0.214 X(o=-0.21,f=0) USER MOD Single : A 73 THR OG1 : rot 144:sc= 0.404 USER MOD Single : A 76 GLN : amide:sc= -5.59! C(o=-5.6!,f=-12!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -42:sc= 0.773 USER MOD Single : A 86 TYR OH : rot -166:sc= 0.547 USER MOD Single : A 90 SER OG : rot 180:sc= -0.0276 USER MOD Single : A 93 LYS NZ :NH3+ -140:sc= -4.54! (180deg=-8.52!) USER MOD Single : A 94 LYS NZ :NH3+ -142:sc= -0.355 (180deg=-1.29) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 98 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.564) USER MOD Single : A 108 HIS : no HE2:sc= -0.387! C(o=-0.39!,f=-4.7!) USER MOD Single : A 110 SER OG : rot -104:sc= 1.27 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 HIS : no HE2:sc= -12.9! C(o=-13!,f=-15!) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 7.905 4.284 -12.793 1.00 0.00 N ATOM 67 CA PRO A 8 7.904 2.837 -12.559 1.00 0.00 C ATOM 68 C PRO A 8 6.641 2.365 -11.846 1.00 0.00 C ATOM 69 O PRO A 8 6.033 1.367 -12.234 1.00 0.00 O ATOM 70 CB PRO A 8 9.132 2.620 -11.671 1.00 0.00 C ATOM 71 CG PRO A 8 9.336 3.925 -10.982 1.00 0.00 C ATOM 72 CD PRO A 8 8.897 4.981 -11.958 1.00 0.00 C ATOM 0 HA PRO A 8 7.931 2.274 -13.492 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.965 1.816 -10.954 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.005 2.344 -12.263 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.753 3.976 -10.063 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.381 4.061 -10.704 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.461 5.841 -11.450 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.733 5.351 -12.552 1.00 0.00 H new ATOM 80 N VAL A 9 6.251 3.089 -10.802 1.00 0.00 N ATOM 81 CA VAL A 9 5.060 2.746 -10.035 1.00 0.00 C ATOM 82 C VAL A 9 3.804 2.859 -10.892 1.00 0.00 C ATOM 83 O VAL A 9 3.483 3.932 -11.404 1.00 0.00 O ATOM 84 CB VAL A 9 4.908 3.650 -8.798 1.00 0.00 C ATOM 85 CG1 VAL A 9 3.662 3.274 -8.011 1.00 0.00 C ATOM 86 CG2 VAL A 9 6.148 3.566 -7.922 1.00 0.00 C ATOM 0 H VAL A 9 6.743 3.918 -10.468 1.00 0.00 H new ATOM 0 HA VAL A 9 5.181 1.714 -9.707 1.00 0.00 H new ATOM 0 HB VAL A 9 4.798 4.681 -9.134 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.572 3.924 -7.141 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.783 3.391 -8.644 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.738 2.237 -7.683 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.023 4.211 -7.052 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.292 2.537 -7.593 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.019 3.890 -8.492 1.00 0.00 H new ATOM 96 N LYS A 10 3.095 1.746 -11.044 1.00 0.00 N ATOM 97 CA LYS A 10 1.872 1.719 -11.837 1.00 0.00 C ATOM 98 C LYS A 10 0.734 2.425 -11.107 1.00 0.00 C ATOM 99 O LYS A 10 0.596 2.305 -9.889 1.00 0.00 O ATOM 100 CB LYS A 10 1.473 0.275 -12.150 1.00 0.00 C ATOM 101 CG LYS A 10 -0.016 0.092 -12.384 1.00 0.00 C ATOM 102 CD LYS A 10 -0.295 -1.077 -13.314 1.00 0.00 C ATOM 103 CE LYS A 10 -0.320 -0.637 -14.770 1.00 0.00 C ATOM 104 NZ LYS A 10 0.122 -1.726 -15.686 1.00 0.00 N ATOM 0 H LYS A 10 3.347 0.849 -10.628 1.00 0.00 H new ATOM 0 HA LYS A 10 2.064 2.247 -12.771 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.015 -0.059 -13.035 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.784 -0.366 -11.325 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.517 -0.073 -11.430 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.433 1.005 -12.810 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.469 -1.843 -13.177 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.251 -1.531 -13.053 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.329 -0.324 -15.038 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.327 0.231 -14.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.091 -1.387 -16.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.094 -2.007 -15.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.511 -2.545 -15.582 1.00 0.00 H new ATOM 118 N VAL A 11 -0.080 3.160 -11.858 1.00 0.00 N ATOM 119 CA VAL A 11 -1.208 3.883 -11.282 1.00 0.00 C ATOM 120 C VAL A 11 -2.511 3.118 -11.484 1.00 0.00 C ATOM 121 O VAL A 11 -2.769 2.583 -12.562 1.00 0.00 O ATOM 122 CB VAL A 11 -1.348 5.287 -11.899 1.00 0.00 C ATOM 123 CG1 VAL A 11 0.020 5.864 -12.231 1.00 0.00 C ATOM 124 CG2 VAL A 11 -2.231 5.239 -13.137 1.00 0.00 C ATOM 0 H VAL A 11 0.021 3.271 -12.867 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.010 3.982 -10.215 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.823 5.941 -11.167 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.099 6.856 -12.666 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.615 5.936 -11.321 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.526 5.214 -12.945 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.319 6.240 -13.560 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.787 4.571 -13.875 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.220 4.872 -12.864 1.00 0.00 H new ATOM 134 N VAL A 12 -3.331 3.071 -10.439 1.00 0.00 N ATOM 135 CA VAL A 12 -4.610 2.374 -10.501 1.00 0.00 C ATOM 136 C VAL A 12 -5.761 3.300 -10.124 1.00 0.00 C ATOM 137 O VAL A 12 -5.601 4.204 -9.304 1.00 0.00 O ATOM 138 CB VAL A 12 -4.627 1.147 -9.569 1.00 0.00 C ATOM 139 CG1 VAL A 12 -5.966 0.431 -9.653 1.00 0.00 C ATOM 140 CG2 VAL A 12 -3.485 0.203 -9.912 1.00 0.00 C ATOM 0 H VAL A 12 -3.132 3.508 -9.539 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.738 2.041 -11.531 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.490 1.489 -8.543 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.959 -0.433 -8.988 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.762 1.113 -9.354 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.138 0.099 -10.677 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.512 -0.658 -9.244 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.589 -0.134 -10.943 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.535 0.724 -9.795 1.00 0.00 H new ATOM 150 N VAL A 13 -6.921 3.070 -10.729 1.00 0.00 N ATOM 151 CA VAL A 13 -8.101 3.883 -10.457 1.00 0.00 C ATOM 152 C VAL A 13 -9.271 3.018 -10.003 1.00 0.00 C ATOM 153 O VAL A 13 -9.215 1.791 -10.075 1.00 0.00 O ATOM 154 CB VAL A 13 -8.524 4.691 -11.697 1.00 0.00 C ATOM 155 CG1 VAL A 13 -7.543 5.823 -11.958 1.00 0.00 C ATOM 156 CG2 VAL A 13 -8.637 3.782 -12.912 1.00 0.00 C ATOM 0 H VAL A 13 -7.070 2.327 -11.412 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.832 4.574 -9.658 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.504 5.129 -11.506 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.859 6.383 -12.838 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.517 6.488 -11.095 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.548 5.411 -12.128 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.937 4.370 -13.780 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.672 3.314 -13.107 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.383 3.010 -12.721 1.00 0.00 H new ATOM 166 N GLY A 14 -10.333 3.667 -9.534 1.00 0.00 N ATOM 167 CA GLY A 14 -11.503 2.942 -9.075 1.00 0.00 C ATOM 168 C GLY A 14 -12.021 1.963 -10.109 1.00 0.00 C ATOM 169 O GLY A 14 -12.611 0.938 -9.766 1.00 0.00 O ATOM 0 H GLY A 14 -10.403 4.682 -9.464 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.257 2.403 -8.160 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.291 3.652 -8.824 1.00 0.00 H new ATOM 173 N LYS A 15 -11.802 2.278 -11.381 1.00 0.00 N ATOM 174 CA LYS A 15 -12.251 1.420 -12.471 1.00 0.00 C ATOM 175 C LYS A 15 -11.266 0.279 -12.707 1.00 0.00 C ATOM 176 O LYS A 15 -11.604 -0.731 -13.325 1.00 0.00 O ATOM 177 CB LYS A 15 -12.419 2.236 -13.755 1.00 0.00 C ATOM 178 CG LYS A 15 -11.164 2.295 -14.607 1.00 0.00 C ATOM 179 CD LYS A 15 -11.138 3.540 -15.477 1.00 0.00 C ATOM 180 CE LYS A 15 -12.052 3.395 -16.685 1.00 0.00 C ATOM 181 NZ LYS A 15 -11.375 2.695 -17.811 1.00 0.00 N ATOM 0 H LYS A 15 -11.316 3.122 -11.683 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.214 0.993 -12.190 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.229 1.806 -14.345 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.719 3.251 -13.494 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.285 2.282 -13.963 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.110 1.408 -15.238 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.446 4.404 -14.888 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.118 3.730 -15.812 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.947 2.842 -16.399 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.378 4.382 -17.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.030 2.616 -18.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.535 3.235 -18.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.086 1.744 -17.505 1.00 0.00 H new ATOM 195 N THR A 16 -10.044 0.446 -12.209 1.00 0.00 N ATOM 196 CA THR A 16 -9.010 -0.568 -12.365 1.00 0.00 C ATOM 197 C THR A 16 -8.439 -0.984 -11.014 1.00 0.00 C ATOM 198 O THR A 16 -7.362 -1.576 -10.939 1.00 0.00 O ATOM 199 CB THR A 16 -7.862 -0.068 -13.263 1.00 0.00 C ATOM 200 OG1 THR A 16 -7.269 1.103 -12.691 1.00 0.00 O ATOM 201 CG2 THR A 16 -8.368 0.246 -14.663 1.00 0.00 C ATOM 0 H THR A 16 -9.747 1.275 -11.694 1.00 0.00 H new ATOM 0 HA THR A 16 -9.482 -1.429 -12.838 1.00 0.00 H new ATOM 0 HB THR A 16 -7.114 -0.857 -13.333 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.539 1.414 -13.266 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.540 0.597 -15.279 1.00 0.00 H new ATOM 0 HG22 THR A 16 -8.794 -0.654 -15.106 1.00 0.00 H new ATOM 0 HG23 THR A 16 -9.133 1.020 -14.608 1.00 0.00 H new ATOM 209 N PHE A 17 -9.168 -0.671 -9.948 1.00 0.00 N ATOM 210 CA PHE A 17 -8.733 -1.013 -8.598 1.00 0.00 C ATOM 211 C PHE A 17 -9.023 -2.478 -8.288 1.00 0.00 C ATOM 212 O PHE A 17 -8.128 -3.231 -7.903 1.00 0.00 O ATOM 213 CB PHE A 17 -9.430 -0.115 -7.573 1.00 0.00 C ATOM 214 CG PHE A 17 -9.158 -0.508 -6.149 1.00 0.00 C ATOM 215 CD1 PHE A 17 -9.800 -1.598 -5.583 1.00 0.00 C ATOM 216 CD2 PHE A 17 -8.261 0.212 -5.377 1.00 0.00 C ATOM 217 CE1 PHE A 17 -9.551 -1.963 -4.273 1.00 0.00 C ATOM 218 CE2 PHE A 17 -8.008 -0.148 -4.067 1.00 0.00 C ATOM 219 CZ PHE A 17 -8.655 -1.236 -3.514 1.00 0.00 C ATOM 0 H PHE A 17 -10.062 -0.182 -9.992 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.656 -0.854 -8.538 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.107 0.915 -7.725 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.505 -0.142 -7.750 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.503 -2.169 -6.172 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.754 1.064 -5.804 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.056 -2.815 -3.844 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.305 0.421 -3.476 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.460 -1.518 -2.490 1.00 0.00 H new ATOM 229 N ASP A 18 -10.279 -2.875 -8.457 1.00 0.00 N ATOM 230 CA ASP A 18 -10.688 -4.251 -8.196 1.00 0.00 C ATOM 231 C ASP A 18 -10.128 -5.195 -9.256 1.00 0.00 C ATOM 232 O ASP A 18 -10.266 -6.413 -9.151 1.00 0.00 O ATOM 233 CB ASP A 18 -12.213 -4.353 -8.159 1.00 0.00 C ATOM 234 CG ASP A 18 -12.785 -3.992 -6.802 1.00 0.00 C ATOM 235 OD1 ASP A 18 -13.068 -2.797 -6.576 1.00 0.00 O ATOM 236 OD2 ASP A 18 -12.950 -4.905 -5.966 1.00 0.00 O ATOM 0 H ASP A 18 -11.032 -2.264 -8.774 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.288 -4.545 -7.226 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.637 -3.693 -8.916 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.513 -5.369 -8.418 1.00 0.00 H new ATOM 241 N ALA A 19 -9.496 -4.623 -10.276 1.00 0.00 N ATOM 242 CA ALA A 19 -8.915 -5.413 -11.354 1.00 0.00 C ATOM 243 C ALA A 19 -7.422 -5.631 -11.131 1.00 0.00 C ATOM 244 O ALA A 19 -6.913 -6.738 -11.312 1.00 0.00 O ATOM 245 CB ALA A 19 -9.157 -4.736 -12.694 1.00 0.00 C ATOM 0 H ALA A 19 -9.374 -3.616 -10.378 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.401 -6.388 -11.359 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.718 -5.337 -13.490 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.229 -4.637 -12.863 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.698 -3.747 -12.690 1.00 0.00 H new ATOM 251 N ILE A 20 -6.726 -4.570 -10.738 1.00 0.00 N ATOM 252 CA ILE A 20 -5.292 -4.647 -10.491 1.00 0.00 C ATOM 253 C ILE A 20 -5.000 -4.867 -9.010 1.00 0.00 C ATOM 254 O ILE A 20 -4.547 -5.939 -8.608 1.00 0.00 O ATOM 255 CB ILE A 20 -4.570 -3.370 -10.960 1.00 0.00 C ATOM 256 CG1 ILE A 20 -4.663 -3.235 -12.482 1.00 0.00 C ATOM 257 CG2 ILE A 20 -3.116 -3.387 -10.512 1.00 0.00 C ATOM 258 CD1 ILE A 20 -4.313 -1.854 -12.989 1.00 0.00 C ATOM 0 H ILE A 20 -7.132 -3.647 -10.584 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.919 -5.497 -11.063 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.059 -2.507 -10.507 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.996 -3.963 -12.944 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.676 -3.484 -12.799 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.620 -2.478 -10.851 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.071 -3.440 -9.424 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.614 -4.255 -10.939 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.401 -1.832 -14.075 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.996 -1.123 -12.555 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.290 -1.610 -12.703 1.00 0.00 H new ATOM 270 N VAL A 21 -5.265 -3.845 -8.203 1.00 0.00 N ATOM 271 CA VAL A 21 -5.034 -3.927 -6.765 1.00 0.00 C ATOM 272 C VAL A 21 -5.635 -5.202 -6.184 1.00 0.00 C ATOM 273 O VAL A 21 -5.211 -5.676 -5.130 1.00 0.00 O ATOM 274 CB VAL A 21 -5.629 -2.711 -6.031 1.00 0.00 C ATOM 275 CG1 VAL A 21 -5.340 -2.793 -4.540 1.00 0.00 C ATOM 276 CG2 VAL A 21 -5.085 -1.417 -6.617 1.00 0.00 C ATOM 0 H VAL A 21 -5.640 -2.951 -8.520 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.954 -3.938 -6.618 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.710 -2.719 -6.168 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.768 -1.925 -4.038 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.782 -3.702 -4.133 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.262 -2.810 -4.379 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.516 -0.568 -6.087 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.000 -1.398 -6.512 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.348 -1.357 -7.673 1.00 0.00 H new ATOM 286 N MET A 22 -6.625 -5.753 -6.879 1.00 0.00 N ATOM 287 CA MET A 22 -7.283 -6.975 -6.432 1.00 0.00 C ATOM 288 C MET A 22 -6.979 -8.134 -7.377 1.00 0.00 C ATOM 289 O MET A 22 -7.827 -8.994 -7.612 1.00 0.00 O ATOM 290 CB MET A 22 -8.795 -6.761 -6.341 1.00 0.00 C ATOM 291 CG MET A 22 -9.213 -5.858 -5.191 1.00 0.00 C ATOM 292 SD MET A 22 -8.601 -6.436 -3.596 1.00 0.00 S ATOM 293 CE MET A 22 -8.376 -4.881 -2.737 1.00 0.00 C ATOM 0 H MET A 22 -6.989 -5.373 -7.753 1.00 0.00 H new ATOM 0 HA MET A 22 -6.897 -7.224 -5.443 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.150 -6.331 -7.278 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.285 -7.728 -6.229 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.843 -4.849 -5.374 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.301 -5.798 -5.158 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.647 -5.002 -1.688 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.333 -4.573 -2.809 1.00 0.00 H new ATOM 0 HE3 MET A 22 -9.011 -4.120 -3.190 1.00 0.00 H new ATOM 303 N ASP A 23 -5.764 -8.148 -7.915 1.00 0.00 N ATOM 304 CA ASP A 23 -5.348 -9.202 -8.834 1.00 0.00 C ATOM 305 C ASP A 23 -5.052 -10.494 -8.080 1.00 0.00 C ATOM 306 O ASP A 23 -4.080 -10.596 -7.331 1.00 0.00 O ATOM 307 CB ASP A 23 -4.113 -8.762 -9.622 1.00 0.00 C ATOM 308 CG ASP A 23 -4.467 -8.185 -10.978 1.00 0.00 C ATOM 309 OD1 ASP A 23 -5.477 -8.626 -11.566 1.00 0.00 O ATOM 310 OD2 ASP A 23 -3.735 -7.291 -11.452 1.00 0.00 O ATOM 0 H ASP A 23 -5.051 -7.442 -7.731 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.166 -9.388 -9.530 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.564 -8.017 -9.046 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.448 -9.615 -9.756 1.00 0.00 H new ATOM 315 N PRO A 24 -5.909 -11.506 -8.280 1.00 0.00 N ATOM 316 CA PRO A 24 -5.760 -12.810 -7.628 1.00 0.00 C ATOM 317 C PRO A 24 -4.563 -13.591 -8.158 1.00 0.00 C ATOM 318 O PRO A 24 -4.366 -14.757 -7.814 1.00 0.00 O ATOM 319 CB PRO A 24 -7.065 -13.532 -7.975 1.00 0.00 C ATOM 320 CG PRO A 24 -7.527 -12.892 -9.239 1.00 0.00 C ATOM 321 CD PRO A 24 -7.089 -11.455 -9.159 1.00 0.00 C ATOM 0 HA PRO A 24 -5.583 -12.711 -6.557 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.902 -14.601 -8.109 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.803 -13.419 -7.181 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.091 -13.385 -10.108 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.610 -12.965 -9.340 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.841 -11.055 -10.142 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.871 -10.819 -8.745 1.00 0.00 H new ATOM 329 N LYS A 25 -3.764 -12.941 -8.998 1.00 0.00 N ATOM 330 CA LYS A 25 -2.583 -13.573 -9.575 1.00 0.00 C ATOM 331 C LYS A 25 -1.332 -13.221 -8.777 1.00 0.00 C ATOM 332 O LYS A 25 -0.529 -14.093 -8.445 1.00 0.00 O ATOM 333 CB LYS A 25 -2.410 -13.140 -11.033 1.00 0.00 C ATOM 334 CG LYS A 25 -3.668 -13.299 -11.869 1.00 0.00 C ATOM 335 CD LYS A 25 -3.343 -13.424 -13.348 1.00 0.00 C ATOM 336 CE LYS A 25 -4.605 -13.443 -14.196 1.00 0.00 C ATOM 337 NZ LYS A 25 -4.402 -14.176 -15.477 1.00 0.00 N ATOM 0 H LYS A 25 -3.913 -11.976 -9.294 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.724 -14.653 -9.537 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.097 -12.096 -11.058 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.608 -13.725 -11.484 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.215 -14.182 -11.540 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.322 -12.442 -11.711 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.710 -12.591 -13.654 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.774 -14.337 -13.521 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.413 -13.911 -13.634 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.915 -12.420 -14.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.285 -14.166 -16.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.648 -13.715 -16.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.131 -15.159 -15.275 1.00 0.00 H new ATOM 351 N LYS A 26 -1.173 -11.938 -8.471 1.00 0.00 N ATOM 352 CA LYS A 26 -0.021 -11.470 -7.709 1.00 0.00 C ATOM 353 C LYS A 26 -0.429 -10.382 -6.720 1.00 0.00 C ATOM 354 O LYS A 26 -1.445 -9.711 -6.904 1.00 0.00 O ATOM 355 CB LYS A 26 1.059 -10.937 -8.653 1.00 0.00 C ATOM 356 CG LYS A 26 0.529 -9.975 -9.702 1.00 0.00 C ATOM 357 CD LYS A 26 1.580 -8.956 -10.106 1.00 0.00 C ATOM 358 CE LYS A 26 2.438 -9.465 -11.255 1.00 0.00 C ATOM 359 NZ LYS A 26 1.709 -9.420 -12.553 1.00 0.00 N ATOM 0 H LYS A 26 -1.828 -11.203 -8.739 1.00 0.00 H new ATOM 0 HA LYS A 26 0.380 -12.315 -7.149 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.827 -10.434 -8.066 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.540 -11.778 -9.153 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.207 -10.534 -10.580 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.349 -9.459 -9.313 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.093 -8.026 -10.399 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.215 -8.728 -9.250 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.344 -8.863 -11.326 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.751 -10.489 -11.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.376 -9.594 -13.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.969 -10.150 -12.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.273 -8.484 -12.674 1.00 0.00 H new ATOM 373 N ASP A 27 0.370 -10.212 -5.672 1.00 0.00 N ATOM 374 CA ASP A 27 0.094 -9.203 -4.656 1.00 0.00 C ATOM 375 C ASP A 27 0.391 -7.804 -5.184 1.00 0.00 C ATOM 376 O ASP A 27 1.467 -7.549 -5.726 1.00 0.00 O ATOM 377 CB ASP A 27 0.923 -9.475 -3.399 1.00 0.00 C ATOM 378 CG ASP A 27 1.250 -10.945 -3.228 1.00 0.00 C ATOM 379 OD1 ASP A 27 0.335 -11.719 -2.878 1.00 0.00 O ATOM 380 OD2 ASP A 27 2.422 -11.321 -3.442 1.00 0.00 O ATOM 0 H ASP A 27 1.214 -10.760 -5.504 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.965 -9.258 -4.403 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.850 -8.903 -3.448 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.377 -9.123 -2.524 1.00 0.00 H new ATOM 385 N VAL A 28 -0.569 -6.899 -5.023 1.00 0.00 N ATOM 386 CA VAL A 28 -0.411 -5.525 -5.484 1.00 0.00 C ATOM 387 C VAL A 28 -0.445 -4.546 -4.315 1.00 0.00 C ATOM 388 O VAL A 28 -1.437 -4.465 -3.588 1.00 0.00 O ATOM 389 CB VAL A 28 -1.509 -5.141 -6.493 1.00 0.00 C ATOM 390 CG1 VAL A 28 -1.414 -3.665 -6.850 1.00 0.00 C ATOM 391 CG2 VAL A 28 -1.411 -6.007 -7.740 1.00 0.00 C ATOM 0 H VAL A 28 -1.465 -7.093 -4.576 1.00 0.00 H new ATOM 0 HA VAL A 28 0.560 -5.466 -5.976 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.481 -5.316 -6.031 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.198 -3.412 -7.564 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.536 -3.064 -5.949 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.440 -3.460 -7.293 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.194 -5.723 -8.443 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.436 -5.865 -8.206 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.533 -7.055 -7.466 1.00 0.00 H new ATOM 401 N LEU A 29 0.643 -3.805 -4.140 1.00 0.00 N ATOM 402 CA LEU A 29 0.737 -2.829 -3.059 1.00 0.00 C ATOM 403 C LEU A 29 0.169 -1.481 -3.490 1.00 0.00 C ATOM 404 O LEU A 29 0.817 -0.727 -4.217 1.00 0.00 O ATOM 405 CB LEU A 29 2.194 -2.665 -2.620 1.00 0.00 C ATOM 406 CG LEU A 29 2.441 -1.698 -1.462 1.00 0.00 C ATOM 407 CD1 LEU A 29 2.097 -2.356 -0.135 1.00 0.00 C ATOM 408 CD2 LEU A 29 3.886 -1.221 -1.464 1.00 0.00 C ATOM 0 H LEU A 29 1.472 -3.861 -4.732 1.00 0.00 H new ATOM 0 HA LEU A 29 0.149 -3.197 -2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.580 -3.645 -2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.776 -2.329 -3.478 1.00 0.00 H new ATOM 0 HG LEU A 29 1.793 -0.831 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.279 -1.653 0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.047 -2.647 -0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.719 -3.241 0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.043 -0.534 -0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.552 -2.077 -1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.099 -0.710 -2.403 1.00 0.00 H new ATOM 420 N ILE A 30 -1.044 -1.184 -3.037 1.00 0.00 N ATOM 421 CA ILE A 30 -1.697 0.075 -3.373 1.00 0.00 C ATOM 422 C ILE A 30 -1.383 1.151 -2.340 1.00 0.00 C ATOM 423 O ILE A 30 -1.491 0.920 -1.136 1.00 0.00 O ATOM 424 CB ILE A 30 -3.225 -0.093 -3.474 1.00 0.00 C ATOM 425 CG1 ILE A 30 -3.854 1.139 -4.128 1.00 0.00 C ATOM 426 CG2 ILE A 30 -3.823 -0.331 -2.095 1.00 0.00 C ATOM 427 CD1 ILE A 30 -3.366 1.390 -5.537 1.00 0.00 C ATOM 0 H ILE A 30 -1.594 -1.798 -2.436 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.308 0.382 -4.344 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.440 -0.961 -4.097 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.937 1.019 -4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.639 2.015 -3.516 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.903 -0.448 -2.182 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.394 -1.235 -1.663 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.601 0.519 -1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.854 2.278 -5.938 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.287 1.542 -5.527 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.605 0.531 -6.163 1.00 0.00 H new ATOM 439 N GLU A 31 -0.994 2.329 -2.819 1.00 0.00 N ATOM 440 CA GLU A 31 -0.665 3.441 -1.936 1.00 0.00 C ATOM 441 C GLU A 31 -1.543 4.653 -2.236 1.00 0.00 C ATOM 442 O GLU A 31 -1.363 5.329 -3.250 1.00 0.00 O ATOM 443 CB GLU A 31 0.811 3.819 -2.084 1.00 0.00 C ATOM 444 CG GLU A 31 1.127 5.231 -1.620 1.00 0.00 C ATOM 445 CD GLU A 31 1.038 5.385 -0.114 1.00 0.00 C ATOM 446 OE1 GLU A 31 -0.094 5.465 0.407 1.00 0.00 O ATOM 447 OE2 GLU A 31 2.099 5.425 0.542 1.00 0.00 O ATOM 0 H GLU A 31 -0.899 2.537 -3.813 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.851 3.124 -0.910 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.417 3.114 -1.514 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.101 3.716 -3.130 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.130 5.502 -1.950 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.436 5.928 -2.094 1.00 0.00 H new ATOM 454 N PHE A 32 -2.495 4.920 -1.349 1.00 0.00 N ATOM 455 CA PHE A 32 -3.403 6.048 -1.518 1.00 0.00 C ATOM 456 C PHE A 32 -2.703 7.364 -1.190 1.00 0.00 C ATOM 457 O PHE A 32 -2.443 7.668 -0.026 1.00 0.00 O ATOM 458 CB PHE A 32 -4.635 5.877 -0.627 1.00 0.00 C ATOM 459 CG PHE A 32 -5.255 4.512 -0.717 1.00 0.00 C ATOM 460 CD1 PHE A 32 -5.511 3.933 -1.949 1.00 0.00 C ATOM 461 CD2 PHE A 32 -5.582 3.808 0.431 1.00 0.00 C ATOM 462 CE1 PHE A 32 -6.081 2.677 -2.036 1.00 0.00 C ATOM 463 CE2 PHE A 32 -6.152 2.552 0.351 1.00 0.00 C ATOM 464 CZ PHE A 32 -6.403 1.986 -0.884 1.00 0.00 C ATOM 0 H PHE A 32 -2.658 4.370 -0.505 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.719 6.075 -2.561 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.355 6.073 0.408 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.379 6.624 -0.902 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.262 4.470 -2.853 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.389 4.246 1.399 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.274 2.236 -3.003 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.401 2.013 1.253 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.850 1.005 -0.949 1.00 0.00 H new ATOM 474 N TYR A 33 -2.401 8.140 -2.225 1.00 0.00 N ATOM 475 CA TYR A 33 -1.729 9.422 -2.049 1.00 0.00 C ATOM 476 C TYR A 33 -2.692 10.580 -2.291 1.00 0.00 C ATOM 477 O TYR A 33 -3.659 10.451 -3.041 1.00 0.00 O ATOM 478 CB TYR A 33 -0.534 9.530 -2.998 1.00 0.00 C ATOM 479 CG TYR A 33 -0.925 9.615 -4.456 1.00 0.00 C ATOM 480 CD1 TYR A 33 -1.336 10.819 -5.016 1.00 0.00 C ATOM 481 CD2 TYR A 33 -0.885 8.493 -5.274 1.00 0.00 C ATOM 482 CE1 TYR A 33 -1.695 10.902 -6.347 1.00 0.00 C ATOM 483 CE2 TYR A 33 -1.240 8.567 -6.607 1.00 0.00 C ATOM 484 CZ TYR A 33 -1.645 9.773 -7.139 1.00 0.00 C ATOM 485 OH TYR A 33 -2.001 9.851 -8.465 1.00 0.00 O ATOM 0 H TYR A 33 -2.611 7.904 -3.195 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.373 9.479 -1.020 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.050 10.412 -2.735 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.113 8.665 -2.854 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.375 11.705 -4.400 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.571 7.546 -4.861 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.013 11.845 -6.766 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.201 7.685 -7.229 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.916 9.519 -8.578 1.00 0.00 H new ATOM 495 N ALA A 34 -2.418 11.713 -1.652 1.00 0.00 N ATOM 496 CA ALA A 34 -3.257 12.895 -1.799 1.00 0.00 C ATOM 497 C ALA A 34 -2.499 14.023 -2.492 1.00 0.00 C ATOM 498 O ALA A 34 -1.430 14.446 -2.053 1.00 0.00 O ATOM 499 CB ALA A 34 -3.764 13.355 -0.440 1.00 0.00 C ATOM 0 H ALA A 34 -1.621 11.837 -1.027 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.111 12.629 -2.422 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.389 14.239 -0.565 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.349 12.558 0.019 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.917 13.598 0.201 1.00 0.00 H new ATOM 505 N PRO A 35 -3.064 14.522 -3.601 1.00 0.00 N ATOM 506 CA PRO A 35 -2.458 15.607 -4.379 1.00 0.00 C ATOM 507 C PRO A 35 -2.498 16.941 -3.641 1.00 0.00 C ATOM 508 O PRO A 35 -2.058 17.964 -4.165 1.00 0.00 O ATOM 509 CB PRO A 35 -3.325 15.668 -5.639 1.00 0.00 C ATOM 510 CG PRO A 35 -4.642 15.110 -5.220 1.00 0.00 C ATOM 511 CD PRO A 35 -4.338 14.066 -4.182 1.00 0.00 C ATOM 0 HA PRO A 35 -1.402 15.424 -4.580 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -3.426 16.691 -6.001 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.888 15.085 -6.449 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -5.284 15.890 -4.812 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -5.169 14.674 -6.069 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.124 14.007 -3.429 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.245 13.074 -4.625 1.00 0.00 H new ATOM 519 N TRP A 36 -3.026 16.922 -2.422 1.00 0.00 N ATOM 520 CA TRP A 36 -3.123 18.131 -1.612 1.00 0.00 C ATOM 521 C TRP A 36 -2.423 17.944 -0.270 1.00 0.00 C ATOM 522 O TRP A 36 -2.627 18.725 0.660 1.00 0.00 O ATOM 523 CB TRP A 36 -4.589 18.505 -1.389 1.00 0.00 C ATOM 524 CG TRP A 36 -5.469 17.323 -1.117 1.00 0.00 C ATOM 525 CD1 TRP A 36 -6.311 16.707 -1.998 1.00 0.00 C ATOM 526 CD2 TRP A 36 -5.594 16.615 0.122 1.00 0.00 C ATOM 527 NE1 TRP A 36 -6.952 15.660 -1.382 1.00 0.00 N ATOM 528 CE2 TRP A 36 -6.529 15.582 -0.081 1.00 0.00 C ATOM 529 CE3 TRP A 36 -5.005 16.753 1.382 1.00 0.00 C ATOM 530 CZ2 TRP A 36 -6.888 14.694 0.929 1.00 0.00 C ATOM 531 CZ3 TRP A 36 -5.363 15.871 2.384 1.00 0.00 C ATOM 532 CH2 TRP A 36 -6.297 14.852 2.153 1.00 0.00 C ATOM 0 H TRP A 36 -3.393 16.083 -1.973 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.628 18.939 -2.150 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.656 19.199 -0.551 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.960 19.030 -2.269 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.452 17.000 -3.028 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.633 15.041 -1.822 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.283 17.534 1.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.608 13.908 0.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.915 15.969 3.362 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.555 14.178 2.957 1.00 0.00 H new ATOM 543 N CYS A 37 -1.599 16.906 -0.177 1.00 0.00 N ATOM 544 CA CYS A 37 -0.870 16.617 1.052 1.00 0.00 C ATOM 545 C CYS A 37 0.636 16.653 0.812 1.00 0.00 C ATOM 546 O CYS A 37 1.175 15.840 0.062 1.00 0.00 O ATOM 547 CB CYS A 37 -1.279 15.250 1.603 1.00 0.00 C ATOM 548 SG CYS A 37 -0.956 15.039 3.369 1.00 0.00 S ATOM 0 H CYS A 37 -1.419 16.251 -0.938 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.121 17.385 1.784 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.343 15.099 1.419 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.747 14.474 1.052 1.00 0.00 H new ATOM 0 HG CYS A 37 -1.338 13.853 3.741 1.00 0.00 H new ATOM 554 N GLY A 38 1.310 17.602 1.454 1.00 0.00 N ATOM 555 CA GLY A 38 2.747 17.727 1.296 1.00 0.00 C ATOM 556 C GLY A 38 3.493 16.501 1.782 1.00 0.00 C ATOM 557 O GLY A 38 4.655 16.293 1.432 1.00 0.00 O ATOM 0 H GLY A 38 0.887 18.286 2.081 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.980 17.897 0.245 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.095 18.602 1.846 1.00 0.00 H new ATOM 561 N HIS A 39 2.825 15.686 2.593 1.00 0.00 N ATOM 562 CA HIS A 39 3.433 14.474 3.130 1.00 0.00 C ATOM 563 C HIS A 39 3.638 13.437 2.030 1.00 0.00 C ATOM 564 O HIS A 39 4.353 12.451 2.218 1.00 0.00 O ATOM 565 CB HIS A 39 2.561 13.890 4.241 1.00 0.00 C ATOM 566 CG HIS A 39 2.645 14.649 5.530 1.00 0.00 C ATOM 567 ND1 HIS A 39 3.103 14.090 6.704 1.00 0.00 N ATOM 568 CD2 HIS A 39 2.328 15.931 5.824 1.00 0.00 C ATOM 569 CE1 HIS A 39 3.063 14.995 7.665 1.00 0.00 C ATOM 570 NE2 HIS A 39 2.596 16.122 7.157 1.00 0.00 N ATOM 0 H HIS A 39 1.863 15.843 2.892 1.00 0.00 H new ATOM 0 HA HIS A 39 4.407 14.737 3.543 1.00 0.00 H new ATOM 0 HB2 HIS A 39 1.524 13.872 3.906 1.00 0.00 H new ATOM 0 HB3 HIS A 39 2.857 12.856 4.418 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.937 16.667 5.138 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.361 14.840 8.691 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.457 16.992 7.671 1.00 0.00 H new ATOM 579 N CYS A 40 3.006 13.664 0.883 1.00 0.00 N ATOM 580 CA CYS A 40 3.118 12.748 -0.246 1.00 0.00 C ATOM 581 C CYS A 40 4.326 13.095 -1.110 1.00 0.00 C ATOM 582 O CYS A 40 5.067 12.212 -1.544 1.00 0.00 O ATOM 583 CB CYS A 40 1.843 12.789 -1.091 1.00 0.00 C ATOM 584 SG CYS A 40 2.071 12.236 -2.797 1.00 0.00 S ATOM 0 H CYS A 40 2.411 14.474 0.711 1.00 0.00 H new ATOM 0 HA CYS A 40 3.253 11.740 0.147 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.085 12.166 -0.616 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.458 13.809 -1.099 1.00 0.00 H new ATOM 0 HG CYS A 40 0.938 12.305 -3.431 1.00 0.00 H new ATOM 590 N LYS A 41 4.520 14.386 -1.357 1.00 0.00 N ATOM 591 CA LYS A 41 5.638 14.851 -2.169 1.00 0.00 C ATOM 592 C LYS A 41 6.959 14.304 -1.639 1.00 0.00 C ATOM 593 O LYS A 41 7.870 14.006 -2.411 1.00 0.00 O ATOM 594 CB LYS A 41 5.678 16.381 -2.189 1.00 0.00 C ATOM 595 CG LYS A 41 6.276 16.990 -0.932 1.00 0.00 C ATOM 596 CD LYS A 41 5.565 18.275 -0.542 1.00 0.00 C ATOM 597 CE LYS A 41 6.256 19.495 -1.133 1.00 0.00 C ATOM 598 NZ LYS A 41 5.635 20.765 -0.664 1.00 0.00 N ATOM 0 H LYS A 41 3.917 15.130 -1.006 1.00 0.00 H new ATOM 0 HA LYS A 41 5.495 14.484 -3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.256 16.710 -3.053 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.665 16.761 -2.320 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.210 16.274 -0.113 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.335 17.193 -1.093 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.531 18.239 -0.885 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.537 18.362 0.544 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.311 19.483 -0.859 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.209 19.448 -2.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.134 21.573 -1.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.635 20.788 -0.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.702 20.822 0.372 1.00 0.00 H new ATOM 612 N GLN A 42 7.055 14.174 -0.320 1.00 0.00 N ATOM 613 CA GLN A 42 8.265 13.661 0.311 1.00 0.00 C ATOM 614 C GLN A 42 8.421 12.165 0.055 1.00 0.00 C ATOM 615 O GLN A 42 9.537 11.648 -0.003 1.00 0.00 O ATOM 616 CB GLN A 42 8.236 13.933 1.816 1.00 0.00 C ATOM 617 CG GLN A 42 7.305 13.007 2.583 1.00 0.00 C ATOM 618 CD GLN A 42 7.689 12.872 4.043 1.00 0.00 C ATOM 619 OE1 GLN A 42 7.955 13.865 4.721 1.00 0.00 O ATOM 620 NE2 GLN A 42 7.721 11.640 4.536 1.00 0.00 N ATOM 0 H GLN A 42 6.309 14.417 0.332 1.00 0.00 H new ATOM 0 HA GLN A 42 9.119 14.177 -0.128 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.245 13.832 2.215 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.929 14.965 1.985 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.285 13.384 2.513 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.313 12.022 2.117 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.493 10.845 3.938 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.973 11.488 5.513 1.00 0.00 H new ATOM 629 N LEU A 43 7.296 11.476 -0.098 1.00 0.00 N ATOM 630 CA LEU A 43 7.307 10.039 -0.348 1.00 0.00 C ATOM 631 C LEU A 43 7.162 9.744 -1.837 1.00 0.00 C ATOM 632 O LEU A 43 7.399 8.622 -2.283 1.00 0.00 O ATOM 633 CB LEU A 43 6.180 9.358 0.431 1.00 0.00 C ATOM 634 CG LEU A 43 6.104 7.835 0.308 1.00 0.00 C ATOM 635 CD1 LEU A 43 7.246 7.181 1.070 1.00 0.00 C ATOM 636 CD2 LEU A 43 4.762 7.326 0.812 1.00 0.00 C ATOM 0 H LEU A 43 6.364 11.889 -0.053 1.00 0.00 H new ATOM 0 HA LEU A 43 8.265 9.643 -0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.289 9.612 1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.230 9.777 0.098 1.00 0.00 H new ATOM 0 HG LEU A 43 6.198 7.569 -0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.176 6.098 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.198 7.522 0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.184 7.454 2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.726 6.241 0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.638 7.603 1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.960 7.769 0.222 1.00 0.00 H new ATOM 648 N GLU A 44 6.773 10.760 -2.601 1.00 0.00 N ATOM 649 CA GLU A 44 6.598 10.608 -4.041 1.00 0.00 C ATOM 650 C GLU A 44 7.801 9.906 -4.664 1.00 0.00 C ATOM 651 O GLU A 44 7.679 8.861 -5.304 1.00 0.00 O ATOM 652 CB GLU A 44 6.395 11.975 -4.699 1.00 0.00 C ATOM 653 CG GLU A 44 4.936 12.382 -4.817 1.00 0.00 C ATOM 654 CD GLU A 44 4.672 13.263 -6.023 1.00 0.00 C ATOM 655 OE1 GLU A 44 5.242 12.982 -7.098 1.00 0.00 O ATOM 656 OE2 GLU A 44 3.896 14.232 -5.892 1.00 0.00 O ATOM 0 H GLU A 44 6.573 11.696 -2.248 1.00 0.00 H new ATOM 0 HA GLU A 44 5.713 9.995 -4.211 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.929 12.730 -4.121 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.841 11.960 -5.693 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.317 11.487 -4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.636 12.911 -3.912 1.00 0.00 H new ATOM 663 N PRO A 45 8.992 10.492 -4.475 1.00 0.00 N ATOM 664 CA PRO A 45 10.240 9.941 -5.010 1.00 0.00 C ATOM 665 C PRO A 45 10.653 8.652 -4.306 1.00 0.00 C ATOM 666 O PRO A 45 11.178 7.732 -4.934 1.00 0.00 O ATOM 667 CB PRO A 45 11.262 11.048 -4.740 1.00 0.00 C ATOM 668 CG PRO A 45 10.708 11.801 -3.580 1.00 0.00 C ATOM 669 CD PRO A 45 9.212 11.739 -3.723 1.00 0.00 C ATOM 0 HA PRO A 45 10.149 9.674 -6.063 1.00 0.00 H new ATOM 0 HB2 PRO A 45 12.243 10.633 -4.510 1.00 0.00 H new ATOM 0 HB3 PRO A 45 11.385 11.694 -5.609 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.029 11.357 -2.637 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.058 12.833 -3.582 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.716 11.716 -2.753 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.823 12.605 -4.259 1.00 0.00 H new ATOM 677 N ILE A 46 10.413 8.593 -3.001 1.00 0.00 N ATOM 678 CA ILE A 46 10.758 7.416 -2.214 1.00 0.00 C ATOM 679 C ILE A 46 10.011 6.183 -2.711 1.00 0.00 C ATOM 680 O ILE A 46 10.575 5.091 -2.784 1.00 0.00 O ATOM 681 CB ILE A 46 10.444 7.626 -0.721 1.00 0.00 C ATOM 682 CG1 ILE A 46 11.363 8.696 -0.129 1.00 0.00 C ATOM 683 CG2 ILE A 46 10.589 6.316 0.040 1.00 0.00 C ATOM 684 CD1 ILE A 46 10.817 9.334 1.129 1.00 0.00 C ATOM 0 H ILE A 46 9.981 9.346 -2.466 1.00 0.00 H new ATOM 0 HA ILE A 46 11.830 7.260 -2.333 1.00 0.00 H new ATOM 0 HB ILE A 46 9.413 7.967 -0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 46 12.332 8.249 0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.532 9.472 -0.876 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.364 6.481 1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.897 5.580 -0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.610 5.948 -0.060 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.521 10.082 1.492 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.862 9.811 0.910 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.674 8.569 1.892 1.00 0.00 H new ATOM 696 N TYR A 47 8.741 6.366 -3.053 1.00 0.00 N ATOM 697 CA TYR A 47 7.916 5.269 -3.543 1.00 0.00 C ATOM 698 C TYR A 47 8.328 4.866 -4.956 1.00 0.00 C ATOM 699 O TYR A 47 8.200 3.705 -5.346 1.00 0.00 O ATOM 700 CB TYR A 47 6.439 5.666 -3.524 1.00 0.00 C ATOM 701 CG TYR A 47 5.498 4.490 -3.385 1.00 0.00 C ATOM 702 CD1 TYR A 47 5.541 3.669 -2.265 1.00 0.00 C ATOM 703 CD2 TYR A 47 4.565 4.202 -4.373 1.00 0.00 C ATOM 704 CE1 TYR A 47 4.683 2.594 -2.134 1.00 0.00 C ATOM 705 CE2 TYR A 47 3.702 3.129 -4.250 1.00 0.00 C ATOM 706 CZ TYR A 47 3.766 2.328 -3.129 1.00 0.00 C ATOM 707 OH TYR A 47 2.909 1.259 -3.002 1.00 0.00 O ATOM 0 H TYR A 47 8.260 7.264 -3.000 1.00 0.00 H new ATOM 0 HA TYR A 47 8.064 4.414 -2.883 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.268 6.357 -2.699 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.204 6.202 -4.443 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.257 3.875 -1.483 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.513 4.827 -5.252 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.730 1.965 -1.257 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.982 2.919 -5.027 1.00 0.00 H new ATOM 0 HH TYR A 47 2.180 1.345 -3.651 1.00 0.00 H new ATOM 717 N THR A 48 8.823 5.835 -5.719 1.00 0.00 N ATOM 718 CA THR A 48 9.254 5.584 -7.089 1.00 0.00 C ATOM 719 C THR A 48 10.272 4.451 -7.146 1.00 0.00 C ATOM 720 O THR A 48 10.026 3.413 -7.760 1.00 0.00 O ATOM 721 CB THR A 48 9.870 6.845 -7.724 1.00 0.00 C ATOM 722 OG1 THR A 48 8.836 7.772 -8.075 1.00 0.00 O ATOM 723 CG2 THR A 48 10.679 6.488 -8.962 1.00 0.00 C ATOM 0 H THR A 48 8.936 6.801 -5.412 1.00 0.00 H new ATOM 0 HA THR A 48 8.366 5.299 -7.653 1.00 0.00 H new ATOM 0 HB THR A 48 10.537 7.304 -6.994 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.449 8.154 -7.260 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.104 7.395 -9.393 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.483 5.805 -8.687 1.00 0.00 H new ATOM 0 HG23 THR A 48 10.030 6.008 -9.695 1.00 0.00 H new ATOM 731 N SER A 49 11.417 4.657 -6.502 1.00 0.00 N ATOM 732 CA SER A 49 12.474 3.653 -6.482 1.00 0.00 C ATOM 733 C SER A 49 11.969 2.343 -5.886 1.00 0.00 C ATOM 734 O SER A 49 12.318 1.259 -6.354 1.00 0.00 O ATOM 735 CB SER A 49 13.675 4.162 -5.682 1.00 0.00 C ATOM 736 OG SER A 49 14.403 5.131 -6.415 1.00 0.00 O ATOM 0 H SER A 49 11.636 5.510 -5.987 1.00 0.00 H new ATOM 0 HA SER A 49 12.784 3.467 -7.510 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.333 4.594 -4.742 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.328 3.327 -5.429 1.00 0.00 H new ATOM 0 HG SER A 49 15.164 5.441 -5.881 1.00 0.00 H new ATOM 742 N LEU A 50 11.145 2.452 -4.849 1.00 0.00 N ATOM 743 CA LEU A 50 10.590 1.277 -4.187 1.00 0.00 C ATOM 744 C LEU A 50 9.871 0.377 -5.186 1.00 0.00 C ATOM 745 O LEU A 50 9.795 -0.837 -5.002 1.00 0.00 O ATOM 746 CB LEU A 50 9.625 1.700 -3.078 1.00 0.00 C ATOM 747 CG LEU A 50 8.999 0.567 -2.264 1.00 0.00 C ATOM 748 CD1 LEU A 50 9.984 0.046 -1.229 1.00 0.00 C ATOM 749 CD2 LEU A 50 7.717 1.037 -1.593 1.00 0.00 C ATOM 0 H LEU A 50 10.847 3.342 -4.449 1.00 0.00 H new ATOM 0 HA LEU A 50 11.415 0.715 -3.748 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.157 2.361 -2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.822 2.285 -3.526 1.00 0.00 H new ATOM 0 HG LEU A 50 8.752 -0.249 -2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.521 -0.760 -0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.875 -0.330 -1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.263 0.854 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.286 0.217 -1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.940 1.870 -0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.006 1.361 -2.353 1.00 0.00 H new ATOM 761 N GLY A 51 9.345 0.981 -6.248 1.00 0.00 N ATOM 762 CA GLY A 51 8.641 0.219 -7.262 1.00 0.00 C ATOM 763 C GLY A 51 9.571 -0.324 -8.329 1.00 0.00 C ATOM 764 O GLY A 51 9.653 -1.535 -8.535 1.00 0.00 O ATOM 0 H GLY A 51 9.394 1.985 -6.424 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.113 -0.609 -6.789 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.887 0.852 -7.730 1.00 0.00 H new ATOM 768 N LYS A 52 10.274 0.574 -9.012 1.00 0.00 N ATOM 769 CA LYS A 52 11.203 0.179 -10.064 1.00 0.00 C ATOM 770 C LYS A 52 12.185 -0.872 -9.557 1.00 0.00 C ATOM 771 O LYS A 52 12.777 -1.613 -10.342 1.00 0.00 O ATOM 772 CB LYS A 52 11.968 1.400 -10.581 1.00 0.00 C ATOM 773 CG LYS A 52 13.178 1.761 -9.737 1.00 0.00 C ATOM 774 CD LYS A 52 13.685 3.158 -10.058 1.00 0.00 C ATOM 775 CE LYS A 52 14.596 3.154 -11.276 1.00 0.00 C ATOM 776 NZ LYS A 52 13.824 3.232 -12.547 1.00 0.00 N ATOM 0 H LYS A 52 10.218 1.580 -8.855 1.00 0.00 H new ATOM 0 HA LYS A 52 10.625 -0.254 -10.881 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.293 1.209 -11.604 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.292 2.254 -10.616 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.917 1.702 -8.680 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.973 1.036 -9.910 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.839 3.821 -10.237 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.225 3.556 -9.199 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.285 3.997 -11.217 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.201 2.247 -11.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.022 2.391 -13.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.807 3.274 -12.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.103 4.086 -13.071 1.00 0.00 H new ATOM 790 N LYS A 53 12.353 -0.932 -8.241 1.00 0.00 N ATOM 791 CA LYS A 53 13.261 -1.895 -7.628 1.00 0.00 C ATOM 792 C LYS A 53 12.559 -3.227 -7.384 1.00 0.00 C ATOM 793 O LYS A 53 13.131 -4.292 -7.614 1.00 0.00 O ATOM 794 CB LYS A 53 13.805 -1.344 -6.307 1.00 0.00 C ATOM 795 CG LYS A 53 12.876 -1.566 -5.127 1.00 0.00 C ATOM 796 CD LYS A 53 13.576 -1.293 -3.806 1.00 0.00 C ATOM 797 CE LYS A 53 14.446 -0.048 -3.884 1.00 0.00 C ATOM 798 NZ LYS A 53 15.294 0.113 -2.670 1.00 0.00 N ATOM 0 H LYS A 53 11.872 -0.325 -7.577 1.00 0.00 H new ATOM 0 HA LYS A 53 14.091 -2.062 -8.315 1.00 0.00 H new ATOM 0 HB2 LYS A 53 14.766 -1.813 -6.096 1.00 0.00 H new ATOM 0 HB3 LYS A 53 13.990 -0.275 -6.417 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.006 -0.915 -5.220 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.509 -2.592 -5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.833 -1.170 -3.018 1.00 0.00 H new ATOM 0 HD3 LYS A 53 14.190 -2.151 -3.534 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.083 -0.105 -4.767 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.812 0.831 -4.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.043 0.809 -2.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.707 0.443 -1.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 15.725 -0.801 -2.424 1.00 0.00 H new ATOM 812 N TYR A 54 11.316 -3.159 -6.920 1.00 0.00 N ATOM 813 CA TYR A 54 10.536 -4.360 -6.644 1.00 0.00 C ATOM 814 C TYR A 54 9.703 -4.759 -7.859 1.00 0.00 C ATOM 815 O TYR A 54 8.997 -5.767 -7.839 1.00 0.00 O ATOM 816 CB TYR A 54 9.624 -4.135 -5.438 1.00 0.00 C ATOM 817 CG TYR A 54 10.315 -4.341 -4.109 1.00 0.00 C ATOM 818 CD1 TYR A 54 10.962 -3.290 -3.470 1.00 0.00 C ATOM 819 CD2 TYR A 54 10.321 -5.586 -3.492 1.00 0.00 C ATOM 820 CE1 TYR A 54 11.596 -3.474 -2.256 1.00 0.00 C ATOM 821 CE2 TYR A 54 10.951 -5.779 -2.278 1.00 0.00 C ATOM 822 CZ TYR A 54 11.587 -4.720 -1.664 1.00 0.00 C ATOM 823 OH TYR A 54 12.216 -4.907 -0.455 1.00 0.00 O ATOM 0 H TYR A 54 10.827 -2.285 -6.727 1.00 0.00 H new ATOM 0 HA TYR A 54 11.230 -5.170 -6.420 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.227 -3.121 -5.478 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.774 -4.813 -5.505 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.969 -2.313 -3.930 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.824 -6.417 -3.970 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.096 -2.647 -1.773 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.946 -6.753 -1.812 1.00 0.00 H new ATOM 0 HH TYR A 54 11.566 -4.804 0.271 1.00 0.00 H new ATOM 833 N LYS A 55 9.792 -3.960 -8.917 1.00 0.00 N ATOM 834 CA LYS A 55 9.049 -4.227 -10.143 1.00 0.00 C ATOM 835 C LYS A 55 9.533 -5.515 -10.801 1.00 0.00 C ATOM 836 O LYS A 55 8.762 -6.217 -11.455 1.00 0.00 O ATOM 837 CB LYS A 55 9.196 -3.057 -11.118 1.00 0.00 C ATOM 838 CG LYS A 55 8.069 -2.043 -11.024 1.00 0.00 C ATOM 839 CD LYS A 55 7.896 -1.280 -12.327 1.00 0.00 C ATOM 840 CE LYS A 55 7.056 -2.063 -13.324 1.00 0.00 C ATOM 841 NZ LYS A 55 6.739 -1.257 -14.536 1.00 0.00 N ATOM 0 H LYS A 55 10.372 -3.122 -8.950 1.00 0.00 H new ATOM 0 HA LYS A 55 7.997 -4.345 -9.883 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.144 -2.553 -10.928 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.240 -3.446 -12.135 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.139 -2.553 -10.774 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.275 -1.342 -10.215 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.423 -0.319 -12.127 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.874 -1.070 -12.760 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.590 -2.967 -13.618 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.129 -2.381 -12.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.165 -1.826 -15.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.207 -0.407 -14.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.623 -0.974 -15.006 1.00 0.00 H new ATOM 855 N GLY A 56 10.814 -5.821 -10.623 1.00 0.00 N ATOM 856 CA GLY A 56 11.378 -7.025 -11.206 1.00 0.00 C ATOM 857 C GLY A 56 11.265 -8.222 -10.283 1.00 0.00 C ATOM 858 O GLY A 56 12.104 -9.123 -10.320 1.00 0.00 O ATOM 0 H GLY A 56 11.472 -5.257 -10.085 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.869 -7.244 -12.144 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.427 -6.852 -11.446 1.00 0.00 H new ATOM 862 N GLN A 57 10.228 -8.232 -9.452 1.00 0.00 N ATOM 863 CA GLN A 57 10.011 -9.327 -8.514 1.00 0.00 C ATOM 864 C GLN A 57 9.072 -10.373 -9.106 1.00 0.00 C ATOM 865 O GLN A 57 8.525 -10.188 -10.194 1.00 0.00 O ATOM 866 CB GLN A 57 9.437 -8.795 -7.200 1.00 0.00 C ATOM 867 CG GLN A 57 10.500 -8.415 -6.182 1.00 0.00 C ATOM 868 CD GLN A 57 11.023 -9.611 -5.410 1.00 0.00 C ATOM 869 OE1 GLN A 57 11.914 -10.322 -5.875 1.00 0.00 O ATOM 870 NE2 GLN A 57 10.471 -9.838 -4.224 1.00 0.00 N ATOM 0 H GLN A 57 9.525 -7.494 -9.409 1.00 0.00 H new ATOM 0 HA GLN A 57 10.974 -9.799 -8.317 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.818 -7.922 -7.410 1.00 0.00 H new ATOM 0 HB3 GLN A 57 8.784 -9.552 -6.766 1.00 0.00 H new ATOM 0 HG2 GLN A 57 11.329 -7.927 -6.694 1.00 0.00 H new ATOM 0 HG3 GLN A 57 10.085 -7.689 -5.483 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.735 -9.222 -3.878 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.783 -10.628 -3.659 1.00 0.00 H new ATOM 879 N LYS A 58 8.890 -11.474 -8.384 1.00 0.00 N ATOM 880 CA LYS A 58 8.016 -12.550 -8.836 1.00 0.00 C ATOM 881 C LYS A 58 6.603 -12.370 -8.290 1.00 0.00 C ATOM 882 O LYS A 58 6.356 -12.574 -7.102 1.00 0.00 O ATOM 883 CB LYS A 58 8.575 -13.906 -8.398 1.00 0.00 C ATOM 884 CG LYS A 58 9.513 -14.534 -9.414 1.00 0.00 C ATOM 885 CD LYS A 58 10.875 -13.859 -9.407 1.00 0.00 C ATOM 886 CE LYS A 58 10.920 -12.685 -10.373 1.00 0.00 C ATOM 887 NZ LYS A 58 11.164 -13.128 -11.773 1.00 0.00 N ATOM 0 H LYS A 58 9.337 -11.644 -7.483 1.00 0.00 H new ATOM 0 HA LYS A 58 7.972 -12.516 -9.925 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.105 -13.783 -7.454 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.746 -14.588 -8.211 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.631 -15.595 -9.195 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.075 -14.461 -10.409 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.105 -13.512 -8.400 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.643 -14.584 -9.677 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.978 -12.138 -10.324 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.706 -11.994 -10.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.188 -12.299 -12.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.075 -13.628 -11.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.400 -13.767 -12.073 1.00 0.00 H new ATOM 901 N ASP A 59 5.680 -11.988 -9.166 1.00 0.00 N ATOM 902 CA ASP A 59 4.291 -11.783 -8.772 1.00 0.00 C ATOM 903 C ASP A 59 4.170 -10.617 -7.795 1.00 0.00 C ATOM 904 O ASP A 59 3.528 -10.733 -6.750 1.00 0.00 O ATOM 905 CB ASP A 59 3.725 -13.055 -8.139 1.00 0.00 C ATOM 906 CG ASP A 59 4.449 -14.304 -8.604 1.00 0.00 C ATOM 907 OD1 ASP A 59 4.465 -14.561 -9.826 1.00 0.00 O ATOM 908 OD2 ASP A 59 4.999 -15.024 -7.745 1.00 0.00 O ATOM 0 H ASP A 59 5.869 -11.814 -10.153 1.00 0.00 H new ATOM 0 HA ASP A 59 3.716 -11.545 -9.667 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.796 -12.980 -7.054 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.666 -13.140 -8.384 1.00 0.00 H new ATOM 913 N LEU A 60 4.791 -9.495 -8.141 1.00 0.00 N ATOM 914 CA LEU A 60 4.754 -8.307 -7.295 1.00 0.00 C ATOM 915 C LEU A 60 4.785 -7.037 -8.138 1.00 0.00 C ATOM 916 O LEU A 60 5.699 -6.831 -8.937 1.00 0.00 O ATOM 917 CB LEU A 60 5.932 -8.315 -6.319 1.00 0.00 C ATOM 918 CG LEU A 60 5.875 -7.285 -5.191 1.00 0.00 C ATOM 919 CD1 LEU A 60 4.989 -7.782 -4.059 1.00 0.00 C ATOM 920 CD2 LEU A 60 7.275 -6.977 -4.679 1.00 0.00 C ATOM 0 H LEU A 60 5.326 -9.383 -9.002 1.00 0.00 H new ATOM 0 HA LEU A 60 3.822 -8.322 -6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.003 -9.308 -5.874 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.849 -8.153 -6.886 1.00 0.00 H new ATOM 0 HG LEU A 60 5.443 -6.365 -5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.960 -7.036 -3.265 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.980 -7.951 -4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.391 -8.716 -3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.215 -6.242 -3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.733 -7.891 -4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.880 -6.577 -5.493 1.00 0.00 H new ATOM 932 N VAL A 61 3.782 -6.185 -7.953 1.00 0.00 N ATOM 933 CA VAL A 61 3.696 -4.932 -8.694 1.00 0.00 C ATOM 934 C VAL A 61 3.209 -3.797 -7.800 1.00 0.00 C ATOM 935 O VAL A 61 2.028 -3.724 -7.460 1.00 0.00 O ATOM 936 CB VAL A 61 2.751 -5.059 -9.904 1.00 0.00 C ATOM 937 CG1 VAL A 61 2.649 -3.733 -10.643 1.00 0.00 C ATOM 938 CG2 VAL A 61 3.226 -6.163 -10.836 1.00 0.00 C ATOM 0 H VAL A 61 3.017 -6.340 -7.296 1.00 0.00 H new ATOM 0 HA VAL A 61 4.701 -4.705 -9.049 1.00 0.00 H new ATOM 0 HB VAL A 61 1.757 -5.323 -9.542 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.977 -3.842 -11.495 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.260 -2.970 -9.969 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.637 -3.436 -10.996 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.547 -6.239 -11.685 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.229 -5.931 -11.193 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.242 -7.111 -10.298 1.00 0.00 H new ATOM 948 N ILE A 62 4.127 -2.914 -7.422 1.00 0.00 N ATOM 949 CA ILE A 62 3.791 -1.781 -6.569 1.00 0.00 C ATOM 950 C ILE A 62 3.065 -0.695 -7.356 1.00 0.00 C ATOM 951 O ILE A 62 3.655 -0.034 -8.210 1.00 0.00 O ATOM 952 CB ILE A 62 5.048 -1.174 -5.918 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.557 -2.081 -4.796 1.00 0.00 C ATOM 954 CG2 ILE A 62 4.748 0.220 -5.385 1.00 0.00 C ATOM 955 CD1 ILE A 62 6.911 -1.675 -4.258 1.00 0.00 C ATOM 0 H ILE A 62 5.109 -2.961 -7.693 1.00 0.00 H new ATOM 0 HA ILE A 62 3.133 -2.160 -5.787 1.00 0.00 H new ATOM 0 HB ILE A 62 5.828 -1.092 -6.675 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.834 -2.076 -3.980 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.614 -3.105 -5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.646 0.636 -4.928 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.428 0.862 -6.206 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.955 0.162 -4.639 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.209 -2.362 -3.466 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.647 -1.707 -5.062 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.855 -0.663 -3.858 1.00 0.00 H new ATOM 967 N ALA A 63 1.782 -0.516 -7.062 1.00 0.00 N ATOM 968 CA ALA A 63 0.976 0.492 -7.740 1.00 0.00 C ATOM 969 C ALA A 63 0.434 1.517 -6.750 1.00 0.00 C ATOM 970 O ALA A 63 0.380 1.266 -5.546 1.00 0.00 O ATOM 971 CB ALA A 63 -0.167 -0.168 -8.497 1.00 0.00 C ATOM 0 H ALA A 63 1.278 -1.056 -6.359 1.00 0.00 H new ATOM 0 HA ALA A 63 1.615 1.015 -8.452 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.761 0.596 -8.998 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.238 -0.857 -9.238 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.798 -0.716 -7.798 1.00 0.00 H new ATOM 977 N LYS A 64 0.034 2.675 -7.265 1.00 0.00 N ATOM 978 CA LYS A 64 -0.505 3.740 -6.427 1.00 0.00 C ATOM 979 C LYS A 64 -1.868 4.197 -6.937 1.00 0.00 C ATOM 980 O LYS A 64 -2.278 3.843 -8.042 1.00 0.00 O ATOM 981 CB LYS A 64 0.462 4.926 -6.390 1.00 0.00 C ATOM 982 CG LYS A 64 0.754 5.516 -7.759 1.00 0.00 C ATOM 983 CD LYS A 64 1.734 6.673 -7.671 1.00 0.00 C ATOM 984 CE LYS A 64 2.511 6.846 -8.967 1.00 0.00 C ATOM 985 NZ LYS A 64 3.825 7.511 -8.742 1.00 0.00 N ATOM 0 H LYS A 64 0.073 2.900 -8.259 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.628 3.347 -5.418 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.045 5.704 -5.750 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.399 4.606 -5.934 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.161 4.742 -8.410 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.175 5.859 -8.214 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.194 7.592 -7.444 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.429 6.501 -6.849 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.672 5.871 -9.427 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.921 7.436 -9.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.324 7.610 -9.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.671 8.452 -8.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.399 6.936 -8.093 1.00 0.00 H new ATOM 999 N MET A 65 -2.563 4.987 -6.126 1.00 0.00 N ATOM 1000 CA MET A 65 -3.879 5.495 -6.498 1.00 0.00 C ATOM 1001 C MET A 65 -4.231 6.738 -5.688 1.00 0.00 C ATOM 1002 O MET A 65 -3.739 6.925 -4.575 1.00 0.00 O ATOM 1003 CB MET A 65 -4.944 4.416 -6.287 1.00 0.00 C ATOM 1004 CG MET A 65 -6.366 4.923 -6.465 1.00 0.00 C ATOM 1005 SD MET A 65 -7.514 3.617 -6.942 1.00 0.00 S ATOM 1006 CE MET A 65 -8.837 3.883 -5.766 1.00 0.00 C ATOM 0 H MET A 65 -2.238 5.289 -5.208 1.00 0.00 H new ATOM 0 HA MET A 65 -3.851 5.767 -7.553 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.767 3.601 -6.988 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.837 4.003 -5.284 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.705 5.377 -5.534 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.376 5.706 -7.224 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.788 3.123 -4.986 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.732 4.871 -5.318 1.00 0.00 H new ATOM 0 HE3 MET A 65 -9.797 3.817 -6.277 1.00 0.00 H new ATOM 1016 N ASP A 66 -5.083 7.586 -6.253 1.00 0.00 N ATOM 1017 CA ASP A 66 -5.501 8.812 -5.583 1.00 0.00 C ATOM 1018 C ASP A 66 -6.918 8.675 -5.034 1.00 0.00 C ATOM 1019 O ASP A 66 -7.884 9.095 -5.669 1.00 0.00 O ATOM 1020 CB ASP A 66 -5.427 9.996 -6.548 1.00 0.00 C ATOM 1021 CG ASP A 66 -5.688 9.590 -7.985 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -4.939 8.737 -8.506 1.00 0.00 O ATOM 1023 OD2 ASP A 66 -6.641 10.124 -8.588 1.00 0.00 O ATOM 0 H ASP A 66 -5.498 7.447 -7.174 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.823 8.990 -4.748 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.155 10.750 -6.249 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.442 10.457 -6.477 1.00 0.00 H new ATOM 1028 N ALA A 67 -7.033 8.083 -3.849 1.00 0.00 N ATOM 1029 CA ALA A 67 -8.331 7.891 -3.214 1.00 0.00 C ATOM 1030 C ALA A 67 -9.108 9.201 -3.148 1.00 0.00 C ATOM 1031 O ALA A 67 -10.339 9.208 -3.182 1.00 0.00 O ATOM 1032 CB ALA A 67 -8.155 7.309 -1.819 1.00 0.00 C ATOM 0 H ALA A 67 -6.243 7.728 -3.310 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.904 7.189 -3.819 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.132 7.171 -1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.647 6.347 -1.887 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.560 7.992 -1.212 1.00 0.00 H new ATOM 1038 N THR A 68 -8.382 10.311 -3.054 1.00 0.00 N ATOM 1039 CA THR A 68 -9.004 11.627 -2.982 1.00 0.00 C ATOM 1040 C THR A 68 -9.932 11.863 -4.168 1.00 0.00 C ATOM 1041 O THR A 68 -10.968 12.515 -4.039 1.00 0.00 O ATOM 1042 CB THR A 68 -7.947 12.747 -2.941 1.00 0.00 C ATOM 1043 OG1 THR A 68 -7.154 12.715 -4.132 1.00 0.00 O ATOM 1044 CG2 THR A 68 -7.048 12.598 -1.723 1.00 0.00 C ATOM 0 H THR A 68 -7.362 10.324 -3.026 1.00 0.00 H new ATOM 0 HA THR A 68 -9.585 11.651 -2.060 1.00 0.00 H new ATOM 0 HB THR A 68 -8.465 13.704 -2.875 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.115 13.613 -4.524 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.310 13.400 -1.715 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.651 12.652 -0.817 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.538 11.636 -1.763 1.00 0.00 H new ATOM 1052 N ALA A 69 -9.553 11.328 -5.325 1.00 0.00 N ATOM 1053 CA ALA A 69 -10.353 11.479 -6.534 1.00 0.00 C ATOM 1054 C ALA A 69 -11.137 10.206 -6.835 1.00 0.00 C ATOM 1055 O ALA A 69 -12.301 10.261 -7.231 1.00 0.00 O ATOM 1056 CB ALA A 69 -9.464 11.845 -7.713 1.00 0.00 C ATOM 0 H ALA A 69 -8.698 10.787 -5.450 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.068 12.285 -6.369 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.075 11.955 -8.609 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.953 12.785 -7.505 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.726 11.058 -7.871 1.00 0.00 H new ATOM 1062 N ASN A 70 -10.491 9.060 -6.646 1.00 0.00 N ATOM 1063 CA ASN A 70 -11.128 7.772 -6.900 1.00 0.00 C ATOM 1064 C ASN A 70 -11.733 7.204 -5.620 1.00 0.00 C ATOM 1065 O ASN A 70 -11.054 7.084 -4.600 1.00 0.00 O ATOM 1066 CB ASN A 70 -10.115 6.784 -7.481 1.00 0.00 C ATOM 1067 CG ASN A 70 -9.483 7.292 -8.763 1.00 0.00 C ATOM 1068 OD1 ASN A 70 -10.076 7.203 -9.838 1.00 0.00 O ATOM 1069 ND2 ASN A 70 -8.273 7.828 -8.654 1.00 0.00 N ATOM 0 H ASN A 70 -9.527 8.996 -6.318 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.929 7.927 -7.623 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.334 6.593 -6.745 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.610 5.832 -7.675 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.798 8.187 -9.482 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.819 7.881 -7.742 1.00 0.00 H new ATOM 1076 N ASP A 71 -13.013 6.854 -5.681 1.00 0.00 N ATOM 1077 CA ASP A 71 -13.709 6.296 -4.528 1.00 0.00 C ATOM 1078 C ASP A 71 -13.385 4.814 -4.362 1.00 0.00 C ATOM 1079 O ASP A 71 -13.636 4.010 -5.260 1.00 0.00 O ATOM 1080 CB ASP A 71 -15.220 6.486 -4.676 1.00 0.00 C ATOM 1081 CG ASP A 71 -15.664 6.487 -6.125 1.00 0.00 C ATOM 1082 OD1 ASP A 71 -15.290 5.549 -6.861 1.00 0.00 O ATOM 1083 OD2 ASP A 71 -16.386 7.424 -6.524 1.00 0.00 O ATOM 0 H ASP A 71 -13.590 6.947 -6.517 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.369 6.826 -3.638 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.737 5.690 -4.141 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.513 7.426 -4.209 1.00 0.00 H new ATOM 1088 N ILE A 72 -12.826 4.462 -3.209 1.00 0.00 N ATOM 1089 CA ILE A 72 -12.468 3.077 -2.926 1.00 0.00 C ATOM 1090 C ILE A 72 -13.711 2.207 -2.780 1.00 0.00 C ATOM 1091 O ILE A 72 -14.253 2.057 -1.684 1.00 0.00 O ATOM 1092 CB ILE A 72 -11.622 2.966 -1.644 1.00 0.00 C ATOM 1093 CG1 ILE A 72 -10.337 3.785 -1.782 1.00 0.00 C ATOM 1094 CG2 ILE A 72 -11.299 1.509 -1.348 1.00 0.00 C ATOM 1095 CD1 ILE A 72 -9.695 4.129 -0.456 1.00 0.00 C ATOM 0 H ILE A 72 -12.611 5.116 -2.456 1.00 0.00 H new ATOM 0 HA ILE A 72 -11.879 2.723 -3.772 1.00 0.00 H new ATOM 0 HB ILE A 72 -12.198 3.367 -0.810 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.623 3.227 -2.388 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.559 4.707 -2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -10.701 1.446 -0.439 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -12.226 0.951 -1.212 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -10.739 1.084 -2.181 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.789 4.710 -0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.391 4.714 0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.441 3.211 0.074 1.00 0.00 H new ATOM 1107 N THR A 73 -14.158 1.631 -3.891 1.00 0.00 N ATOM 1108 CA THR A 73 -15.337 0.775 -3.887 1.00 0.00 C ATOM 1109 C THR A 73 -15.268 -0.251 -2.761 1.00 0.00 C ATOM 1110 O THR A 73 -16.292 -0.658 -2.215 1.00 0.00 O ATOM 1111 CB THR A 73 -15.500 0.036 -5.229 1.00 0.00 C ATOM 1112 OG1 THR A 73 -14.297 -0.672 -5.548 1.00 0.00 O ATOM 1113 CG2 THR A 73 -15.831 1.013 -6.347 1.00 0.00 C ATOM 0 H THR A 73 -13.721 1.742 -4.806 1.00 0.00 H new ATOM 0 HA THR A 73 -16.198 1.425 -3.731 1.00 0.00 H new ATOM 0 HB THR A 73 -16.322 -0.673 -5.131 1.00 0.00 H new ATOM 0 HG1 THR A 73 -14.522 -1.516 -5.993 1.00 0.00 H new ATOM 0 HG21 THR A 73 -15.941 0.469 -7.285 1.00 0.00 H new ATOM 0 HG22 THR A 73 -16.763 1.529 -6.115 1.00 0.00 H new ATOM 0 HG23 THR A 73 -15.026 1.742 -6.443 1.00 0.00 H new ATOM 1121 N ASN A 74 -14.052 -0.664 -2.418 1.00 0.00 N ATOM 1122 CA ASN A 74 -13.849 -1.643 -1.356 1.00 0.00 C ATOM 1123 C ASN A 74 -14.387 -1.122 -0.026 1.00 0.00 C ATOM 1124 O ASN A 74 -14.937 -0.023 0.045 1.00 0.00 O ATOM 1125 CB ASN A 74 -12.363 -1.979 -1.221 1.00 0.00 C ATOM 1126 CG ASN A 74 -12.132 -3.411 -0.779 1.00 0.00 C ATOM 1127 OD1 ASN A 74 -12.978 -4.013 -0.118 1.00 0.00 O ATOM 1128 ND2 ASN A 74 -10.981 -3.964 -1.142 1.00 0.00 N ATOM 0 H ASN A 74 -13.193 -0.336 -2.860 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.397 -2.548 -1.620 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -11.867 -1.812 -2.177 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -11.904 -1.301 -0.502 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -10.770 -4.925 -0.873 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.308 -3.428 -1.690 1.00 0.00 H new ATOM 1135 N ASP A 75 -14.223 -1.919 1.024 1.00 0.00 N ATOM 1136 CA ASP A 75 -14.691 -1.538 2.352 1.00 0.00 C ATOM 1137 C ASP A 75 -13.602 -1.764 3.397 1.00 0.00 C ATOM 1138 O ASP A 75 -13.495 -1.015 4.367 1.00 0.00 O ATOM 1139 CB ASP A 75 -15.943 -2.333 2.723 1.00 0.00 C ATOM 1140 CG ASP A 75 -16.635 -1.784 3.955 1.00 0.00 C ATOM 1141 OD1 ASP A 75 -17.076 -0.616 3.917 1.00 0.00 O ATOM 1142 OD2 ASP A 75 -16.736 -2.522 4.957 1.00 0.00 O ATOM 0 H ASP A 75 -13.770 -2.832 0.982 1.00 0.00 H new ATOM 0 HA ASP A 75 -14.937 -0.476 2.333 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -16.639 -2.322 1.884 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -15.670 -3.374 2.897 1.00 0.00 H new ATOM 1147 N GLN A 76 -12.798 -2.803 3.191 1.00 0.00 N ATOM 1148 CA GLN A 76 -11.720 -3.128 4.117 1.00 0.00 C ATOM 1149 C GLN A 76 -10.599 -2.098 4.030 1.00 0.00 C ATOM 1150 O GLN A 76 -9.837 -1.912 4.980 1.00 0.00 O ATOM 1151 CB GLN A 76 -11.169 -4.524 3.821 1.00 0.00 C ATOM 1152 CG GLN A 76 -10.732 -4.713 2.377 1.00 0.00 C ATOM 1153 CD GLN A 76 -10.897 -6.142 1.899 1.00 0.00 C ATOM 1154 OE1 GLN A 76 -9.983 -6.722 1.312 1.00 0.00 O ATOM 1155 NE2 GLN A 76 -12.068 -6.718 2.147 1.00 0.00 N ATOM 0 H GLN A 76 -12.873 -3.433 2.392 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.126 -3.112 5.128 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.320 -4.717 4.477 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.932 -5.265 4.061 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.313 -4.050 1.736 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.687 -4.419 2.276 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -12.798 -6.200 2.637 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -12.238 -7.678 1.848 1.00 0.00 H new ATOM 1164 N TYR A 77 -10.503 -1.430 2.885 1.00 0.00 N ATOM 1165 CA TYR A 77 -9.473 -0.421 2.673 1.00 0.00 C ATOM 1166 C TYR A 77 -10.001 0.973 3.000 1.00 0.00 C ATOM 1167 O TYR A 77 -10.670 1.604 2.182 1.00 0.00 O ATOM 1168 CB TYR A 77 -8.976 -0.464 1.227 1.00 0.00 C ATOM 1169 CG TYR A 77 -8.339 -1.781 0.845 1.00 0.00 C ATOM 1170 CD1 TYR A 77 -9.116 -2.908 0.607 1.00 0.00 C ATOM 1171 CD2 TYR A 77 -6.960 -1.898 0.721 1.00 0.00 C ATOM 1172 CE1 TYR A 77 -8.538 -4.113 0.259 1.00 0.00 C ATOM 1173 CE2 TYR A 77 -6.373 -3.098 0.372 1.00 0.00 C ATOM 1174 CZ TYR A 77 -7.166 -4.203 0.142 1.00 0.00 C ATOM 1175 OH TYR A 77 -6.587 -5.402 -0.207 1.00 0.00 O ATOM 0 H TYR A 77 -11.126 -1.570 2.090 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.641 -0.642 3.342 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.814 -0.267 0.558 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.253 0.337 1.076 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.190 -2.841 0.696 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.336 -1.035 0.901 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.156 -4.980 0.079 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.299 -3.171 0.280 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.000 -6.127 0.307 1.00 0.00 H new ATOM 1185 N LYS A 78 -9.694 1.448 4.202 1.00 0.00 N ATOM 1186 CA LYS A 78 -10.135 2.767 4.640 1.00 0.00 C ATOM 1187 C LYS A 78 -8.955 3.729 4.741 1.00 0.00 C ATOM 1188 O LYS A 78 -7.878 3.358 5.207 1.00 0.00 O ATOM 1189 CB LYS A 78 -10.844 2.669 5.992 1.00 0.00 C ATOM 1190 CG LYS A 78 -12.341 2.439 5.879 1.00 0.00 C ATOM 1191 CD LYS A 78 -12.911 1.840 7.154 1.00 0.00 C ATOM 1192 CE LYS A 78 -13.114 2.900 8.226 1.00 0.00 C ATOM 1193 NZ LYS A 78 -14.174 2.511 9.197 1.00 0.00 N ATOM 0 H LYS A 78 -9.141 0.939 4.891 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.834 3.153 3.898 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.402 1.855 6.566 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.667 3.587 6.553 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.840 3.384 5.665 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.546 1.774 5.040 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.862 1.355 6.936 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.238 1.068 7.527 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.177 3.063 8.758 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.382 3.846 7.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.282 3.259 9.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.075 2.380 8.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.907 1.622 9.665 1.00 0.00 H new ATOM 1207 N VAL A 79 -9.166 4.966 4.303 1.00 0.00 N ATOM 1208 CA VAL A 79 -8.121 5.981 4.347 1.00 0.00 C ATOM 1209 C VAL A 79 -8.406 7.017 5.429 1.00 0.00 C ATOM 1210 O VAL A 79 -9.230 7.912 5.243 1.00 0.00 O ATOM 1211 CB VAL A 79 -7.977 6.698 2.991 1.00 0.00 C ATOM 1212 CG1 VAL A 79 -6.923 7.791 3.074 1.00 0.00 C ATOM 1213 CG2 VAL A 79 -7.636 5.699 1.895 1.00 0.00 C ATOM 0 H VAL A 79 -10.052 5.289 3.914 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.189 5.465 4.578 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.930 7.165 2.743 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.835 8.286 2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.214 8.520 3.830 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.963 7.351 3.345 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.538 6.222 0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.696 5.203 2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.430 4.956 1.820 1.00 0.00 H new ATOM 1223 N GLU A 80 -7.718 6.889 6.559 1.00 0.00 N ATOM 1224 CA GLU A 80 -7.899 7.815 7.671 1.00 0.00 C ATOM 1225 C GLU A 80 -6.741 8.806 7.747 1.00 0.00 C ATOM 1226 O GLU A 80 -6.529 9.451 8.773 1.00 0.00 O ATOM 1227 CB GLU A 80 -8.015 7.047 8.989 1.00 0.00 C ATOM 1228 CG GLU A 80 -9.173 6.064 9.021 1.00 0.00 C ATOM 1229 CD GLU A 80 -10.522 6.753 9.089 1.00 0.00 C ATOM 1230 OE1 GLU A 80 -10.979 7.266 8.047 1.00 0.00 O ATOM 1231 OE2 GLU A 80 -11.120 6.779 10.185 1.00 0.00 O ATOM 0 H GLU A 80 -7.031 6.154 6.729 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.821 8.372 7.501 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.086 6.506 9.168 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.131 7.759 9.806 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.135 5.435 8.132 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.062 5.405 9.882 1.00 0.00 H new ATOM 1238 N GLY A 81 -5.994 8.920 6.653 1.00 0.00 N ATOM 1239 CA GLY A 81 -4.867 9.833 6.617 1.00 0.00 C ATOM 1240 C GLY A 81 -3.821 9.422 5.599 1.00 0.00 C ATOM 1241 O GLY A 81 -3.431 8.256 5.534 1.00 0.00 O ATOM 0 H GLY A 81 -6.149 8.396 5.791 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.223 10.836 6.383 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.409 9.880 7.605 1.00 0.00 H new ATOM 1245 N PHE A 82 -3.367 10.382 4.800 1.00 0.00 N ATOM 1246 CA PHE A 82 -2.362 10.114 3.778 1.00 0.00 C ATOM 1247 C PHE A 82 -0.969 10.498 4.270 1.00 0.00 C ATOM 1248 O PHE A 82 -0.800 11.403 5.087 1.00 0.00 O ATOM 1249 CB PHE A 82 -2.691 10.881 2.495 1.00 0.00 C ATOM 1250 CG PHE A 82 -4.121 10.735 2.060 1.00 0.00 C ATOM 1251 CD1 PHE A 82 -5.137 11.385 2.742 1.00 0.00 C ATOM 1252 CD2 PHE A 82 -4.449 9.947 0.968 1.00 0.00 C ATOM 1253 CE1 PHE A 82 -6.454 11.253 2.344 1.00 0.00 C ATOM 1254 CE2 PHE A 82 -5.764 9.812 0.564 1.00 0.00 C ATOM 1255 CZ PHE A 82 -6.768 10.464 1.254 1.00 0.00 C ATOM 0 H PHE A 82 -3.679 11.352 4.841 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.372 9.045 3.567 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.472 11.938 2.647 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.039 10.532 1.695 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.897 12.002 3.595 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.669 9.433 0.427 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.236 11.766 2.884 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -6.007 9.197 -0.290 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.796 10.357 0.942 1.00 0.00 H new ATOM 1265 N PRO A 83 0.052 9.792 3.762 1.00 0.00 N ATOM 1266 CA PRO A 83 -0.138 8.712 2.790 1.00 0.00 C ATOM 1267 C PRO A 83 -0.805 7.487 3.407 1.00 0.00 C ATOM 1268 O PRO A 83 -1.081 7.456 4.607 1.00 0.00 O ATOM 1269 CB PRO A 83 1.289 8.378 2.348 1.00 0.00 C ATOM 1270 CG PRO A 83 2.148 8.797 3.491 1.00 0.00 C ATOM 1271 CD PRO A 83 1.472 9.995 4.099 1.00 0.00 C ATOM 0 HA PRO A 83 -0.794 9.011 1.972 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.400 7.314 2.139 1.00 0.00 H new ATOM 0 HB3 PRO A 83 1.556 8.912 1.436 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.247 7.993 4.220 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.154 9.046 3.153 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.627 10.040 5.177 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.855 10.927 3.683 1.00 0.00 H new ATOM 1279 N THR A 84 -1.062 6.479 2.580 1.00 0.00 N ATOM 1280 CA THR A 84 -1.697 5.252 3.044 1.00 0.00 C ATOM 1281 C THR A 84 -1.341 4.074 2.145 1.00 0.00 C ATOM 1282 O THR A 84 -1.851 3.956 1.030 1.00 0.00 O ATOM 1283 CB THR A 84 -3.229 5.398 3.097 1.00 0.00 C ATOM 1284 OG1 THR A 84 -3.581 6.696 3.590 1.00 0.00 O ATOM 1285 CG2 THR A 84 -3.845 4.328 3.986 1.00 0.00 C ATOM 0 H THR A 84 -0.840 6.488 1.585 1.00 0.00 H new ATOM 0 HA THR A 84 -1.322 5.063 4.050 1.00 0.00 H new ATOM 0 HB THR A 84 -3.618 5.276 2.086 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.996 6.931 4.340 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.928 4.452 4.008 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.600 3.342 3.591 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.449 4.423 4.997 1.00 0.00 H new ATOM 1293 N ILE A 85 -0.464 3.205 2.635 1.00 0.00 N ATOM 1294 CA ILE A 85 -0.042 2.035 1.875 1.00 0.00 C ATOM 1295 C ILE A 85 -0.851 0.803 2.268 1.00 0.00 C ATOM 1296 O ILE A 85 -1.183 0.613 3.438 1.00 0.00 O ATOM 1297 CB ILE A 85 1.456 1.739 2.083 1.00 0.00 C ATOM 1298 CG1 ILE A 85 2.288 2.993 1.808 1.00 0.00 C ATOM 1299 CG2 ILE A 85 1.899 0.595 1.184 1.00 0.00 C ATOM 1300 CD1 ILE A 85 3.562 3.062 2.622 1.00 0.00 C ATOM 0 H ILE A 85 -0.032 3.289 3.555 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.217 2.262 0.823 1.00 0.00 H new ATOM 0 HB ILE A 85 1.613 1.442 3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.541 3.027 0.748 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.683 3.875 2.019 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.959 0.398 1.342 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.324 -0.299 1.423 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.732 0.866 0.141 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.102 3.977 2.376 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.316 3.060 3.684 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.187 2.199 2.393 1.00 0.00 H new ATOM 1312 N TYR A 86 -1.163 -0.031 1.282 1.00 0.00 N ATOM 1313 CA TYR A 86 -1.934 -1.244 1.524 1.00 0.00 C ATOM 1314 C TYR A 86 -1.402 -2.403 0.686 1.00 0.00 C ATOM 1315 O TYR A 86 -1.211 -2.274 -0.523 1.00 0.00 O ATOM 1316 CB TYR A 86 -3.411 -1.007 1.207 1.00 0.00 C ATOM 1317 CG TYR A 86 -4.215 -0.523 2.393 1.00 0.00 C ATOM 1318 CD1 TYR A 86 -4.479 -1.364 3.467 1.00 0.00 C ATOM 1319 CD2 TYR A 86 -4.711 0.774 2.438 1.00 0.00 C ATOM 1320 CE1 TYR A 86 -5.214 -0.927 4.552 1.00 0.00 C ATOM 1321 CE2 TYR A 86 -5.445 1.220 3.520 1.00 0.00 C ATOM 1322 CZ TYR A 86 -5.694 0.366 4.575 1.00 0.00 C ATOM 1323 OH TYR A 86 -6.426 0.807 5.653 1.00 0.00 O ATOM 0 H TYR A 86 -0.894 0.111 0.308 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.833 -1.504 2.578 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -3.488 -0.275 0.403 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -3.848 -1.934 0.837 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -4.103 -2.376 3.453 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.520 1.445 1.613 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.412 -1.594 5.378 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.822 2.232 3.540 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.874 1.648 5.422 1.00 0.00 H new ATOM 1333 N PHE A 87 -1.167 -3.537 1.338 1.00 0.00 N ATOM 1334 CA PHE A 87 -0.657 -4.720 0.655 1.00 0.00 C ATOM 1335 C PHE A 87 -1.753 -5.769 0.492 1.00 0.00 C ATOM 1336 O PHE A 87 -2.209 -6.363 1.469 1.00 0.00 O ATOM 1337 CB PHE A 87 0.522 -5.314 1.429 1.00 0.00 C ATOM 1338 CG PHE A 87 1.284 -6.352 0.657 1.00 0.00 C ATOM 1339 CD1 PHE A 87 0.693 -7.560 0.323 1.00 0.00 C ATOM 1340 CD2 PHE A 87 2.593 -6.120 0.264 1.00 0.00 C ATOM 1341 CE1 PHE A 87 1.392 -8.517 -0.388 1.00 0.00 C ATOM 1342 CE2 PHE A 87 3.296 -7.073 -0.447 1.00 0.00 C ATOM 1343 CZ PHE A 87 2.696 -8.274 -0.772 1.00 0.00 C ATOM 0 H PHE A 87 -1.322 -3.662 2.338 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.317 -4.418 -0.336 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.202 -4.511 1.711 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.153 -5.759 2.353 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.326 -7.756 0.622 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.068 -5.184 0.517 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.919 -9.454 -0.643 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.315 -6.879 -0.749 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.245 -9.021 -1.325 1.00 0.00 H new ATOM 1353 N ALA A 88 -2.172 -5.990 -0.750 1.00 0.00 N ATOM 1354 CA ALA A 88 -3.214 -6.967 -1.042 1.00 0.00 C ATOM 1355 C ALA A 88 -2.617 -8.255 -1.601 1.00 0.00 C ATOM 1356 O ALA A 88 -2.337 -8.370 -2.794 1.00 0.00 O ATOM 1357 CB ALA A 88 -4.225 -6.385 -2.017 1.00 0.00 C ATOM 0 H ALA A 88 -1.806 -5.506 -1.570 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.724 -7.208 -0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.997 -7.126 -2.226 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.682 -5.497 -1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.721 -6.114 -2.945 1.00 0.00 H new ATOM 1363 N PRO A 89 -2.417 -9.246 -0.720 1.00 0.00 N ATOM 1364 CA PRO A 89 -1.851 -10.543 -1.104 1.00 0.00 C ATOM 1365 C PRO A 89 -2.811 -11.364 -1.958 1.00 0.00 C ATOM 1366 O PRO A 89 -3.933 -11.654 -1.543 1.00 0.00 O ATOM 1367 CB PRO A 89 -1.606 -11.234 0.240 1.00 0.00 C ATOM 1368 CG PRO A 89 -2.580 -10.603 1.174 1.00 0.00 C ATOM 1369 CD PRO A 89 -2.727 -9.178 0.718 1.00 0.00 C ATOM 0 HA PRO A 89 -0.953 -10.433 -1.712 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.767 -12.310 0.167 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.581 -11.088 0.579 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.538 -11.122 1.148 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -2.221 -10.649 2.202 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.735 -8.802 0.894 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.042 -8.515 1.246 1.00 0.00 H new ATOM 1377 N SER A 90 -2.362 -11.736 -3.153 1.00 0.00 N ATOM 1378 CA SER A 90 -3.183 -12.522 -4.067 1.00 0.00 C ATOM 1379 C SER A 90 -3.817 -13.707 -3.346 1.00 0.00 C ATOM 1380 O SER A 90 -3.140 -14.676 -3.005 1.00 0.00 O ATOM 1381 CB SER A 90 -2.340 -13.018 -5.244 1.00 0.00 C ATOM 1382 OG SER A 90 -2.713 -14.333 -5.619 1.00 0.00 O ATOM 0 H SER A 90 -1.435 -11.506 -3.510 1.00 0.00 H new ATOM 0 HA SER A 90 -3.980 -11.880 -4.444 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.463 -12.345 -6.093 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.284 -12.999 -4.973 1.00 0.00 H new ATOM 0 HG SER A 90 -2.161 -14.627 -6.374 1.00 0.00 H new ATOM 1388 N GLY A 91 -5.124 -13.622 -3.115 1.00 0.00 N ATOM 1389 CA GLY A 91 -5.829 -14.693 -2.436 1.00 0.00 C ATOM 1390 C GLY A 91 -6.390 -14.259 -1.096 1.00 0.00 C ATOM 1391 O GLY A 91 -7.537 -14.563 -0.768 1.00 0.00 O ATOM 0 H GLY A 91 -5.707 -12.830 -3.386 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.642 -15.047 -3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.151 -15.533 -2.288 1.00 0.00 H new ATOM 1395 N ASP A 92 -5.580 -13.548 -0.320 1.00 0.00 N ATOM 1396 CA ASP A 92 -6.002 -13.072 0.992 1.00 0.00 C ATOM 1397 C ASP A 92 -6.157 -11.554 0.996 1.00 0.00 C ATOM 1398 O ASP A 92 -5.945 -10.900 2.018 1.00 0.00 O ATOM 1399 CB ASP A 92 -4.994 -13.497 2.061 1.00 0.00 C ATOM 1400 CG ASP A 92 -4.775 -14.997 2.086 1.00 0.00 C ATOM 1401 OD1 ASP A 92 -5.766 -15.744 1.949 1.00 0.00 O ATOM 1402 OD2 ASP A 92 -3.612 -15.424 2.243 1.00 0.00 O ATOM 0 H ASP A 92 -4.628 -13.288 -0.577 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.970 -13.518 1.219 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.043 -12.997 1.879 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.345 -13.168 3.039 1.00 0.00 H new ATOM 1407 N LYS A 93 -6.526 -10.999 -0.153 1.00 0.00 N ATOM 1408 CA LYS A 93 -6.709 -9.559 -0.284 1.00 0.00 C ATOM 1409 C LYS A 93 -7.783 -9.057 0.676 1.00 0.00 C ATOM 1410 O LYS A 93 -7.693 -7.947 1.200 1.00 0.00 O ATOM 1411 CB LYS A 93 -7.089 -9.201 -1.723 1.00 0.00 C ATOM 1412 CG LYS A 93 -6.259 -9.924 -2.769 1.00 0.00 C ATOM 1413 CD LYS A 93 -6.100 -9.090 -4.029 1.00 0.00 C ATOM 1414 CE LYS A 93 -4.887 -9.526 -4.836 1.00 0.00 C ATOM 1415 NZ LYS A 93 -4.384 -8.434 -5.715 1.00 0.00 N ATOM 0 H LYS A 93 -6.704 -11.526 -1.008 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.766 -9.074 -0.032 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.142 -9.436 -1.881 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.978 -8.126 -1.863 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.276 -10.156 -2.358 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.732 -10.874 -3.018 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.997 -9.179 -4.641 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.001 -8.038 -3.760 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.094 -9.841 -4.158 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.148 -10.391 -5.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.102 -8.830 -6.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.135 -7.729 -5.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.563 -7.979 -5.268 1.00 0.00 H new ATOM 1429 N LYS A 94 -8.798 -9.884 0.905 1.00 0.00 N ATOM 1430 CA LYS A 94 -9.888 -9.526 1.805 1.00 0.00 C ATOM 1431 C LYS A 94 -9.357 -8.828 3.053 1.00 0.00 C ATOM 1432 O LYS A 94 -10.035 -7.985 3.639 1.00 0.00 O ATOM 1433 CB LYS A 94 -10.678 -10.775 2.204 1.00 0.00 C ATOM 1434 CG LYS A 94 -11.830 -10.489 3.151 1.00 0.00 C ATOM 1435 CD LYS A 94 -13.114 -10.193 2.395 1.00 0.00 C ATOM 1436 CE LYS A 94 -13.884 -11.468 2.084 1.00 0.00 C ATOM 1437 NZ LYS A 94 -13.390 -12.125 0.842 1.00 0.00 N ATOM 0 H LYS A 94 -8.888 -10.807 0.480 1.00 0.00 H new ATOM 0 HA LYS A 94 -10.549 -8.837 1.279 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -11.068 -11.251 1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.001 -11.488 2.674 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.983 -11.345 3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -11.577 -9.640 3.787 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.739 -9.524 2.986 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.879 -9.673 1.466 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.794 -12.160 2.921 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -14.943 -11.235 1.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -14.195 -12.520 0.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.899 -11.425 0.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.731 -12.890 1.092 1.00 0.00 H new ATOM 1451 N ASN A 95 -8.140 -9.183 3.452 1.00 0.00 N ATOM 1452 CA ASN A 95 -7.518 -8.590 4.630 1.00 0.00 C ATOM 1453 C ASN A 95 -6.366 -7.673 4.232 1.00 0.00 C ATOM 1454 O ASN A 95 -5.237 -8.113 4.013 1.00 0.00 O ATOM 1455 CB ASN A 95 -7.013 -9.684 5.572 1.00 0.00 C ATOM 1456 CG ASN A 95 -8.134 -10.562 6.093 1.00 0.00 C ATOM 1457 OD1 ASN A 95 -9.227 -10.080 6.393 1.00 0.00 O ATOM 1458 ND2 ASN A 95 -7.868 -11.858 6.203 1.00 0.00 N ATOM 0 H ASN A 95 -7.565 -9.879 2.977 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.271 -7.995 5.147 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -6.284 -10.303 5.048 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.495 -9.224 6.413 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.584 -12.498 6.548 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -6.948 -12.214 5.943 1.00 0.00 H new ATOM 1465 N PRO A 96 -6.654 -6.366 4.136 1.00 0.00 N ATOM 1466 CA PRO A 96 -5.655 -5.360 3.766 1.00 0.00 C ATOM 1467 C PRO A 96 -4.612 -5.150 4.858 1.00 0.00 C ATOM 1468 O PRO A 96 -4.951 -4.998 6.032 1.00 0.00 O ATOM 1469 CB PRO A 96 -6.487 -4.090 3.570 1.00 0.00 C ATOM 1470 CG PRO A 96 -7.696 -4.295 4.415 1.00 0.00 C ATOM 1471 CD PRO A 96 -7.978 -5.771 4.383 1.00 0.00 C ATOM 0 HA PRO A 96 -5.087 -5.655 2.884 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.934 -3.203 3.879 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.755 -3.950 2.523 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.522 -3.953 5.435 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.543 -3.727 4.029 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -8.406 -6.119 5.323 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -8.687 -6.028 3.596 1.00 0.00 H new ATOM 1479 N ILE A 97 -3.343 -5.141 4.464 1.00 0.00 N ATOM 1480 CA ILE A 97 -2.251 -4.948 5.410 1.00 0.00 C ATOM 1481 C ILE A 97 -1.621 -3.569 5.248 1.00 0.00 C ATOM 1482 O ILE A 97 -0.717 -3.378 4.433 1.00 0.00 O ATOM 1483 CB ILE A 97 -1.160 -6.021 5.238 1.00 0.00 C ATOM 1484 CG1 ILE A 97 -1.783 -7.419 5.259 1.00 0.00 C ATOM 1485 CG2 ILE A 97 -0.109 -5.888 6.330 1.00 0.00 C ATOM 1486 CD1 ILE A 97 -1.005 -8.438 4.456 1.00 0.00 C ATOM 0 H ILE A 97 -3.046 -5.265 3.496 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.680 -5.035 6.408 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.674 -5.873 4.274 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -1.856 -7.760 6.292 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.800 -7.361 4.870 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.655 -6.653 6.195 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.351 -4.902 6.274 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.580 -6.014 7.305 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.504 -9.406 4.515 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.954 -8.119 3.415 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.004 -8.525 4.858 1.00 0.00 H new ATOM 1498 N LYS A 98 -2.102 -2.608 6.029 1.00 0.00 N ATOM 1499 CA LYS A 98 -1.585 -1.246 5.976 1.00 0.00 C ATOM 1500 C LYS A 98 -0.231 -1.150 6.671 1.00 0.00 C ATOM 1501 O LYS A 98 -0.014 -1.765 7.715 1.00 0.00 O ATOM 1502 CB LYS A 98 -2.575 -0.277 6.627 1.00 0.00 C ATOM 1503 CG LYS A 98 -2.078 1.158 6.676 1.00 0.00 C ATOM 1504 CD LYS A 98 -3.139 2.096 7.226 1.00 0.00 C ATOM 1505 CE LYS A 98 -3.039 2.225 8.738 1.00 0.00 C ATOM 1506 NZ LYS A 98 -3.849 1.190 9.438 1.00 0.00 N ATOM 0 H LYS A 98 -2.851 -2.748 6.708 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.455 -0.974 4.928 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.516 -0.308 6.078 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.787 -0.614 7.642 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.184 1.214 7.297 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.791 1.479 5.675 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.030 3.079 6.768 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.128 1.726 6.956 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.996 2.137 9.042 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.376 3.216 9.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.508 1.652 10.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.388 0.639 8.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.218 0.555 9.967 1.00 0.00 H new ATOM 1520 N PHE A 99 0.676 -0.375 6.087 1.00 0.00 N ATOM 1521 CA PHE A 99 2.009 -0.198 6.651 1.00 0.00 C ATOM 1522 C PHE A 99 2.003 0.874 7.736 1.00 0.00 C ATOM 1523 O PHE A 99 1.970 2.069 7.442 1.00 0.00 O ATOM 1524 CB PHE A 99 3.005 0.178 5.552 1.00 0.00 C ATOM 1525 CG PHE A 99 4.358 0.567 6.077 1.00 0.00 C ATOM 1526 CD1 PHE A 99 5.170 -0.369 6.697 1.00 0.00 C ATOM 1527 CD2 PHE A 99 4.816 1.868 5.951 1.00 0.00 C ATOM 1528 CE1 PHE A 99 6.416 -0.015 7.181 1.00 0.00 C ATOM 1529 CE2 PHE A 99 6.061 2.228 6.432 1.00 0.00 C ATOM 1530 CZ PHE A 99 6.861 1.286 7.049 1.00 0.00 C ATOM 0 H PHE A 99 0.512 0.141 5.223 1.00 0.00 H new ATOM 0 HA PHE A 99 2.314 -1.143 7.101 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.117 -0.665 4.870 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.598 1.006 4.971 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.826 -1.387 6.804 1.00 0.00 H new ATOM 0 HD2 PHE A 99 4.194 2.609 5.472 1.00 0.00 H new ATOM 0 HE1 PHE A 99 7.040 -0.754 7.661 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.408 3.245 6.325 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.833 1.566 7.428 1.00 0.00 H new ATOM 1540 N GLU A 100 2.033 0.438 8.992 1.00 0.00 N ATOM 1541 CA GLU A 100 2.030 1.360 10.121 1.00 0.00 C ATOM 1542 C GLU A 100 3.448 1.606 10.627 1.00 0.00 C ATOM 1543 O GLU A 100 4.000 2.692 10.457 1.00 0.00 O ATOM 1544 CB GLU A 100 1.160 0.811 11.254 1.00 0.00 C ATOM 1545 CG GLU A 100 -0.329 0.859 10.955 1.00 0.00 C ATOM 1546 CD GLU A 100 -1.179 0.690 12.200 1.00 0.00 C ATOM 1547 OE1 GLU A 100 -0.864 -0.201 13.016 1.00 0.00 O ATOM 1548 OE2 GLU A 100 -2.159 1.448 12.357 1.00 0.00 O ATOM 0 H GLU A 100 2.060 -0.548 9.253 1.00 0.00 H new ATOM 0 HA GLU A 100 1.615 2.309 9.781 1.00 0.00 H new ATOM 0 HB2 GLU A 100 1.449 -0.221 11.455 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.358 1.381 12.162 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.570 1.810 10.481 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.578 0.075 10.240 1.00 0.00 H new ATOM 1583 N ARG A 104 8.538 5.924 7.593 1.00 0.00 N ATOM 1584 CA ARG A 104 8.093 5.674 6.227 1.00 0.00 C ATOM 1585 C ARG A 104 9.161 6.097 5.222 1.00 0.00 C ATOM 1586 O ARG A 104 9.229 7.262 4.828 1.00 0.00 O ATOM 1587 CB ARG A 104 6.789 6.422 5.947 1.00 0.00 C ATOM 1588 CG ARG A 104 5.884 5.717 4.950 1.00 0.00 C ATOM 1589 CD ARG A 104 4.685 6.576 4.581 1.00 0.00 C ATOM 1590 NE ARG A 104 3.509 5.769 4.266 1.00 0.00 N ATOM 1591 CZ ARG A 104 2.665 5.310 5.183 1.00 0.00 C ATOM 1592 NH1 ARG A 104 2.866 5.578 6.466 1.00 0.00 N ATOM 1593 NH2 ARG A 104 1.617 4.583 4.818 1.00 0.00 N ATOM 0 HA ARG A 104 7.919 4.603 6.118 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.248 6.556 6.884 1.00 0.00 H new ATOM 0 HB3 ARG A 104 7.025 7.417 5.570 1.00 0.00 H new ATOM 0 HG2 ARG A 104 6.450 5.475 4.051 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.540 4.773 5.373 1.00 0.00 H new ATOM 0 HD2 ARG A 104 4.453 7.248 5.407 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.937 7.200 3.724 1.00 0.00 H new ATOM 0 HE ARG A 104 3.326 5.546 3.288 1.00 0.00 H new ATOM 0 HH11 ARG A 104 3.670 6.138 6.750 1.00 0.00 H new ATOM 0 HH12 ARG A 104 2.217 5.225 7.169 1.00 0.00 H new ATOM 0 HH21 ARG A 104 1.459 4.376 3.832 1.00 0.00 H new ATOM 0 HH22 ARG A 104 0.970 4.231 5.523 1.00 0.00 H new ATOM 1607 N ASP A 105 9.991 5.145 4.812 1.00 0.00 N ATOM 1608 CA ASP A 105 11.054 5.418 3.853 1.00 0.00 C ATOM 1609 C ASP A 105 11.325 4.198 2.978 1.00 0.00 C ATOM 1610 O ASP A 105 10.657 3.170 3.104 1.00 0.00 O ATOM 1611 CB ASP A 105 12.334 5.833 4.581 1.00 0.00 C ATOM 1612 CG ASP A 105 12.551 5.049 5.860 1.00 0.00 C ATOM 1613 OD1 ASP A 105 11.598 4.941 6.660 1.00 0.00 O ATOM 1614 OD2 ASP A 105 13.674 4.541 6.061 1.00 0.00 O ATOM 0 H ASP A 105 9.948 4.177 5.129 1.00 0.00 H new ATOM 0 HA ASP A 105 10.728 6.237 3.212 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.188 5.688 3.920 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.288 6.897 4.814 1.00 0.00 H new ATOM 1619 N LEU A 106 12.307 4.317 2.092 1.00 0.00 N ATOM 1620 CA LEU A 106 12.666 3.224 1.196 1.00 0.00 C ATOM 1621 C LEU A 106 13.332 2.086 1.963 1.00 0.00 C ATOM 1622 O LEU A 106 13.371 0.949 1.495 1.00 0.00 O ATOM 1623 CB LEU A 106 13.602 3.727 0.095 1.00 0.00 C ATOM 1624 CG LEU A 106 13.893 2.744 -1.040 1.00 0.00 C ATOM 1625 CD1 LEU A 106 12.722 2.684 -2.008 1.00 0.00 C ATOM 1626 CD2 LEU A 106 15.171 3.134 -1.768 1.00 0.00 C ATOM 0 H LEU A 106 12.869 5.160 1.975 1.00 0.00 H new ATOM 0 HA LEU A 106 11.750 2.845 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.171 4.631 -0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.549 4.012 0.553 1.00 0.00 H new ATOM 0 HG LEU A 106 14.032 1.752 -0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.947 1.980 -2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.828 2.356 -1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.550 3.673 -2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 106 15.363 2.424 -2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 106 15.061 4.135 -2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 106 16.006 3.123 -1.068 1.00 0.00 H new ATOM 1638 N GLU A 107 13.852 2.402 3.145 1.00 0.00 N ATOM 1639 CA GLU A 107 14.514 1.405 3.978 1.00 0.00 C ATOM 1640 C GLU A 107 13.493 0.581 4.757 1.00 0.00 C ATOM 1641 O GLU A 107 13.613 -0.640 4.862 1.00 0.00 O ATOM 1642 CB GLU A 107 15.486 2.082 4.947 1.00 0.00 C ATOM 1643 CG GLU A 107 16.840 2.393 4.333 1.00 0.00 C ATOM 1644 CD GLU A 107 16.889 3.768 3.694 1.00 0.00 C ATOM 1645 OE1 GLU A 107 17.005 4.763 4.439 1.00 0.00 O ATOM 1646 OE2 GLU A 107 16.810 3.848 2.451 1.00 0.00 O ATOM 0 H GLU A 107 13.828 3.339 3.547 1.00 0.00 H new ATOM 0 HA GLU A 107 15.072 0.735 3.324 1.00 0.00 H new ATOM 0 HB2 GLU A 107 15.039 3.008 5.309 1.00 0.00 H new ATOM 0 HB3 GLU A 107 15.629 1.437 5.814 1.00 0.00 H new ATOM 0 HG2 GLU A 107 17.608 2.327 5.104 1.00 0.00 H new ATOM 0 HG3 GLU A 107 17.076 1.639 3.582 1.00 0.00 H new ATOM 1653 N HIS A 108 12.488 1.258 5.303 1.00 0.00 N ATOM 1654 CA HIS A 108 11.445 0.590 6.073 1.00 0.00 C ATOM 1655 C HIS A 108 10.417 -0.056 5.149 1.00 0.00 C ATOM 1656 O HIS A 108 10.050 -1.218 5.327 1.00 0.00 O ATOM 1657 CB HIS A 108 10.755 1.584 7.007 1.00 0.00 C ATOM 1658 CG HIS A 108 11.540 1.885 8.247 1.00 0.00 C ATOM 1659 ND1 HIS A 108 12.362 2.986 8.369 1.00 0.00 N ATOM 1660 CD2 HIS A 108 11.623 1.223 9.424 1.00 0.00 C ATOM 1661 CE1 HIS A 108 12.918 2.986 9.567 1.00 0.00 C ATOM 1662 NE2 HIS A 108 12.486 1.927 10.228 1.00 0.00 N ATOM 0 H HIS A 108 12.374 2.269 5.226 1.00 0.00 H new ATOM 0 HA HIS A 108 11.913 -0.192 6.670 1.00 0.00 H new ATOM 0 HB2 HIS A 108 10.575 2.513 6.466 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.781 1.187 7.291 1.00 0.00 H new ATOM 0 HD1 HIS A 108 12.516 3.690 7.647 1.00 0.00 H new ATOM 0 HD2 HIS A 108 11.107 0.311 9.683 1.00 0.00 H new ATOM 0 HE1 HIS A 108 13.609 3.726 9.943 1.00 0.00 H new ATOM 1671 N LEU A 109 9.955 0.705 4.163 1.00 0.00 N ATOM 1672 CA LEU A 109 8.968 0.207 3.211 1.00 0.00 C ATOM 1673 C LEU A 109 9.379 -1.156 2.663 1.00 0.00 C ATOM 1674 O LEU A 109 8.554 -2.062 2.545 1.00 0.00 O ATOM 1675 CB LEU A 109 8.795 1.200 2.060 1.00 0.00 C ATOM 1676 CG LEU A 109 8.020 2.478 2.386 1.00 0.00 C ATOM 1677 CD1 LEU A 109 8.079 3.451 1.219 1.00 0.00 C ATOM 1678 CD2 LEU A 109 6.576 2.150 2.739 1.00 0.00 C ATOM 0 H LEU A 109 10.248 1.669 4.002 1.00 0.00 H new ATOM 0 HA LEU A 109 8.018 0.097 3.734 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.784 1.481 1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.288 0.691 1.240 1.00 0.00 H new ATOM 0 HG LEU A 109 8.485 2.952 3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.522 4.354 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.118 3.710 1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.640 2.987 0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.039 3.071 2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.099 1.652 1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.554 1.492 3.607 1.00 0.00 H new ATOM 1690 N SER A 110 10.659 -1.294 2.333 1.00 0.00 N ATOM 1691 CA SER A 110 11.178 -2.547 1.797 1.00 0.00 C ATOM 1692 C SER A 110 11.131 -3.650 2.850 1.00 0.00 C ATOM 1693 O SER A 110 10.906 -4.818 2.534 1.00 0.00 O ATOM 1694 CB SER A 110 12.614 -2.358 1.304 1.00 0.00 C ATOM 1695 OG SER A 110 13.388 -1.640 2.249 1.00 0.00 O ATOM 0 H SER A 110 11.355 -0.555 2.427 1.00 0.00 H new ATOM 0 HA SER A 110 10.548 -2.843 0.958 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.070 -3.331 1.120 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.608 -1.824 0.354 1.00 0.00 H new ATOM 0 HG SER A 110 13.512 -0.719 1.938 1.00 0.00 H new ATOM 1701 N LYS A 111 11.346 -3.270 4.105 1.00 0.00 N ATOM 1702 CA LYS A 111 11.327 -4.224 5.208 1.00 0.00 C ATOM 1703 C LYS A 111 9.901 -4.662 5.524 1.00 0.00 C ATOM 1704 O LYS A 111 9.685 -5.604 6.287 1.00 0.00 O ATOM 1705 CB LYS A 111 11.971 -3.609 6.452 1.00 0.00 C ATOM 1706 CG LYS A 111 13.461 -3.355 6.303 1.00 0.00 C ATOM 1707 CD LYS A 111 14.015 -2.577 7.485 1.00 0.00 C ATOM 1708 CE LYS A 111 15.350 -1.930 7.150 1.00 0.00 C ATOM 1709 NZ LYS A 111 16.464 -2.918 7.161 1.00 0.00 N ATOM 0 H LYS A 111 11.536 -2.307 4.384 1.00 0.00 H new ATOM 0 HA LYS A 111 11.899 -5.102 4.907 1.00 0.00 H new ATOM 0 HB2 LYS A 111 11.472 -2.668 6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 111 11.807 -4.272 7.301 1.00 0.00 H new ATOM 0 HG2 LYS A 111 13.986 -4.306 6.214 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.646 -2.801 5.383 1.00 0.00 H new ATOM 0 HD2 LYS A 111 13.302 -1.809 7.783 1.00 0.00 H new ATOM 0 HD3 LYS A 111 14.137 -3.246 8.337 1.00 0.00 H new ATOM 0 HE2 LYS A 111 15.290 -1.461 6.168 1.00 0.00 H new ATOM 0 HE3 LYS A 111 15.560 -1.138 7.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 17.356 -2.438 6.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 16.538 -3.347 8.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 16.277 -3.660 6.457 1.00 0.00 H new ATOM 1723 N PHE A 112 8.930 -3.974 4.932 1.00 0.00 N ATOM 1724 CA PHE A 112 7.524 -4.292 5.151 1.00 0.00 C ATOM 1725 C PHE A 112 6.996 -5.208 4.050 1.00 0.00 C ATOM 1726 O PHE A 112 6.141 -6.060 4.294 1.00 0.00 O ATOM 1727 CB PHE A 112 6.691 -3.010 5.206 1.00 0.00 C ATOM 1728 CG PHE A 112 5.219 -3.242 5.018 1.00 0.00 C ATOM 1729 CD1 PHE A 112 4.462 -3.822 6.023 1.00 0.00 C ATOM 1730 CD2 PHE A 112 4.593 -2.881 3.836 1.00 0.00 C ATOM 1731 CE1 PHE A 112 3.107 -4.037 5.854 1.00 0.00 C ATOM 1732 CE2 PHE A 112 3.238 -3.094 3.661 1.00 0.00 C ATOM 1733 CZ PHE A 112 2.495 -3.673 4.671 1.00 0.00 C ATOM 0 H PHE A 112 9.091 -3.192 4.297 1.00 0.00 H new ATOM 0 HA PHE A 112 7.440 -4.813 6.105 1.00 0.00 H new ATOM 0 HB2 PHE A 112 6.854 -2.522 6.167 1.00 0.00 H new ATOM 0 HB3 PHE A 112 7.044 -2.324 4.436 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.936 -4.110 6.950 1.00 0.00 H new ATOM 0 HD2 PHE A 112 5.169 -2.428 3.043 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.528 -4.489 6.646 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.761 -2.808 2.735 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.437 -3.841 4.536 1.00 0.00 H new ATOM 1743 N ILE A 113 7.511 -5.025 2.839 1.00 0.00 N ATOM 1744 CA ILE A 113 7.093 -5.834 1.702 1.00 0.00 C ATOM 1745 C ILE A 113 7.627 -7.258 1.814 1.00 0.00 C ATOM 1746 O ILE A 113 6.858 -8.218 1.875 1.00 0.00 O ATOM 1747 CB ILE A 113 7.568 -5.223 0.371 1.00 0.00 C ATOM 1748 CG1 ILE A 113 6.877 -3.880 0.126 1.00 0.00 C ATOM 1749 CG2 ILE A 113 7.298 -6.181 -0.779 1.00 0.00 C ATOM 1750 CD1 ILE A 113 7.488 -3.083 -1.006 1.00 0.00 C ATOM 0 H ILE A 113 8.218 -4.323 2.620 1.00 0.00 H new ATOM 0 HA ILE A 113 6.003 -5.855 1.714 1.00 0.00 H new ATOM 0 HB ILE A 113 8.643 -5.052 0.430 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.824 -4.057 -0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.918 -3.288 1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.640 -5.734 -1.713 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.832 -7.115 -0.607 1.00 0.00 H new ATOM 0 HG23 ILE A 113 6.228 -6.381 -0.842 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.948 -2.143 -1.123 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.534 -2.875 -0.781 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.423 -3.656 -1.931 1.00 0.00 H new ATOM 1762 N ASP A 114 8.949 -7.387 1.841 1.00 0.00 N ATOM 1763 CA ASP A 114 9.587 -8.694 1.949 1.00 0.00 C ATOM 1764 C ASP A 114 8.799 -9.609 2.881 1.00 0.00 C ATOM 1765 O ASP A 114 8.675 -10.807 2.630 1.00 0.00 O ATOM 1766 CB ASP A 114 11.023 -8.544 2.456 1.00 0.00 C ATOM 1767 CG ASP A 114 11.109 -8.579 3.969 1.00 0.00 C ATOM 1768 OD1 ASP A 114 10.852 -9.653 4.553 1.00 0.00 O ATOM 1769 OD2 ASP A 114 11.432 -7.533 4.570 1.00 0.00 O ATOM 0 H ASP A 114 9.599 -6.603 1.790 1.00 0.00 H new ATOM 0 HA ASP A 114 9.605 -9.145 0.957 1.00 0.00 H new ATOM 0 HB2 ASP A 114 11.637 -9.344 2.041 1.00 0.00 H new ATOM 0 HB3 ASP A 114 11.437 -7.603 2.093 1.00 0.00 H new ATOM 1774 N GLU A 115 8.269 -9.035 3.957 1.00 0.00 N ATOM 1775 CA GLU A 115 7.494 -9.801 4.926 1.00 0.00 C ATOM 1776 C GLU A 115 6.252 -10.403 4.276 1.00 0.00 C ATOM 1777 O GLU A 115 6.061 -11.620 4.286 1.00 0.00 O ATOM 1778 CB GLU A 115 7.087 -8.911 6.103 1.00 0.00 C ATOM 1779 CG GLU A 115 8.160 -8.788 7.172 1.00 0.00 C ATOM 1780 CD GLU A 115 8.134 -9.939 8.159 1.00 0.00 C ATOM 1781 OE1 GLU A 115 8.486 -11.070 7.762 1.00 0.00 O ATOM 1782 OE2 GLU A 115 7.763 -9.709 9.329 1.00 0.00 O ATOM 0 H GLU A 115 8.362 -8.044 4.179 1.00 0.00 H new ATOM 0 HA GLU A 115 8.120 -10.614 5.293 1.00 0.00 H new ATOM 0 HB2 GLU A 115 6.843 -7.917 5.729 1.00 0.00 H new ATOM 0 HB3 GLU A 115 6.180 -9.313 6.555 1.00 0.00 H new ATOM 0 HG2 GLU A 115 9.139 -8.745 6.695 1.00 0.00 H new ATOM 0 HG3 GLU A 115 8.026 -7.850 7.710 1.00 0.00 H new ATOM 1789 N HIS A 116 5.410 -9.543 3.713 1.00 0.00 N ATOM 1790 CA HIS A 116 4.186 -9.989 3.058 1.00 0.00 C ATOM 1791 C HIS A 116 4.464 -10.418 1.620 1.00 0.00 C ATOM 1792 O HIS A 116 3.545 -10.759 0.875 1.00 0.00 O ATOM 1793 CB HIS A 116 3.137 -8.877 3.077 1.00 0.00 C ATOM 1794 CG HIS A 116 2.555 -8.625 4.434 1.00 0.00 C ATOM 1795 ND1 HIS A 116 1.648 -9.473 5.032 1.00 0.00 N ATOM 1796 CD2 HIS A 116 2.757 -7.614 5.310 1.00 0.00 C ATOM 1797 CE1 HIS A 116 1.315 -8.994 6.217 1.00 0.00 C ATOM 1798 NE2 HIS A 116 1.976 -7.866 6.410 1.00 0.00 N ATOM 0 H HIS A 116 5.553 -8.533 3.697 1.00 0.00 H new ATOM 0 HA HIS A 116 3.803 -10.849 3.607 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.589 -7.956 2.708 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.333 -9.136 2.388 1.00 0.00 H new ATOM 0 HD1 HIS A 116 1.290 -10.336 4.623 1.00 0.00 H new ATOM 0 HD2 HIS A 116 3.411 -6.766 5.170 1.00 0.00 H new ATOM 0 HE1 HIS A 116 0.621 -9.447 6.910 1.00 0.00 H new