USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=21 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 145:sc= -9.47! (180deg=-7.4!) USER MOD Set 1.2: A 73 THR OG1 : rot -179:sc= 0.465 USER MOD Set 1.3: A 74 ASN : amide:sc= -0.413 K(o=-9.4,f=-10) USER MOD Set 1.4: A 77 TYR OH : rot 15:sc= 0 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= 0.116 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 166:sc=-0.00199 (180deg=-0.136) USER MOD Single : A 33 TYR OH : rot -39:sc= 1.18 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.0218 X(o=-0.022,f=-0.022) USER MOD Single : A 40 CYS SG : rot 180:sc= -0.104 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.0142 K(o=-0.014,f=-0.8) USER MOD Single : A 47 TYR OH : rot -172:sc= -1.55! USER MOD Single : A 48 THR OG1 : rot 61:sc= 0.715 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 94:sc= -0.599 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.459 X(o=-0.46,f=-0.0083) USER MOD Single : A 58 LYS NZ :NH3+ 141:sc= -1.05 (180deg=-2.84!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -108:sc= -0.368 (180deg=-2.26!) USER MOD Single : A 68 THR OG1 : rot 170:sc= 0 USER MOD Single : A 70 ASN : amide:sc=0.000755 X(o=0.00075,f=-0.14) USER MOD Single : A 76 GLN : amide:sc= -2.38 K(o=-2.4,f=-5.1!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -54:sc= 0.725 USER MOD Single : A 86 TYR OH : rot -153:sc= -0.144 USER MOD Single : A 90 SER OG : rot 14:sc= 1.11 USER MOD Single : A 93 LYS NZ :NH3+ -126:sc= -3.86! (180deg=-6.21!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 SER OG : rot 71:sc= 0.0706 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 HIS :FLIP no HD1:sc= -5.29! C(o=-6.4!,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 7.916 4.438 -12.429 1.00 0.00 N ATOM 67 CA PRO A 8 7.893 2.993 -12.182 1.00 0.00 C ATOM 68 C PRO A 8 6.612 2.544 -11.488 1.00 0.00 C ATOM 69 O PRO A 8 6.008 1.540 -11.867 1.00 0.00 O ATOM 70 CB PRO A 8 9.102 2.770 -11.269 1.00 0.00 C ATOM 71 CG PRO A 8 9.309 4.079 -10.589 1.00 0.00 C ATOM 72 CD PRO A 8 8.902 5.131 -11.582 1.00 0.00 C ATOM 0 HA PRO A 8 7.930 2.420 -13.109 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.912 1.975 -10.548 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.982 2.478 -11.842 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.709 4.146 -9.681 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.350 4.204 -10.293 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.468 6.001 -11.090 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.753 5.485 -12.164 1.00 0.00 H new ATOM 80 N VAL A 9 6.201 3.294 -10.471 1.00 0.00 N ATOM 81 CA VAL A 9 4.989 2.974 -9.725 1.00 0.00 C ATOM 82 C VAL A 9 3.756 3.063 -10.616 1.00 0.00 C ATOM 83 O VAL A 9 3.414 4.134 -11.118 1.00 0.00 O ATOM 84 CB VAL A 9 4.807 3.915 -8.519 1.00 0.00 C ATOM 85 CG1 VAL A 9 3.646 3.453 -7.652 1.00 0.00 C ATOM 86 CG2 VAL A 9 6.091 3.994 -7.707 1.00 0.00 C ATOM 0 H VAL A 9 6.689 4.128 -10.144 1.00 0.00 H new ATOM 0 HA VAL A 9 5.100 1.951 -9.365 1.00 0.00 H new ATOM 0 HB VAL A 9 4.577 4.914 -8.891 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.533 4.130 -6.805 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.729 3.453 -8.242 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.843 2.445 -7.287 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.945 4.663 -6.859 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.354 3.000 -7.344 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.896 4.375 -8.335 1.00 0.00 H new ATOM 96 N LYS A 10 3.089 1.930 -10.809 1.00 0.00 N ATOM 97 CA LYS A 10 1.891 1.878 -11.639 1.00 0.00 C ATOM 98 C LYS A 10 0.710 2.532 -10.930 1.00 0.00 C ATOM 99 O LYS A 10 0.550 2.398 -9.716 1.00 0.00 O ATOM 100 CB LYS A 10 1.551 0.428 -11.989 1.00 0.00 C ATOM 101 CG LYS A 10 0.286 0.283 -12.818 1.00 0.00 C ATOM 102 CD LYS A 10 0.247 -1.050 -13.547 1.00 0.00 C ATOM 103 CE LYS A 10 -0.982 -1.162 -14.437 1.00 0.00 C ATOM 104 NZ LYS A 10 -0.729 -0.622 -15.802 1.00 0.00 N ATOM 0 H LYS A 10 3.358 1.035 -10.401 1.00 0.00 H new ATOM 0 HA LYS A 10 2.091 2.429 -12.558 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.386 -0.010 -12.536 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.439 -0.143 -11.067 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.586 0.370 -12.171 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.229 1.096 -13.541 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.147 -1.162 -14.152 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.247 -1.863 -12.821 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.284 -2.207 -14.510 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.811 -0.622 -13.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.590 -0.716 -16.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.466 0.382 -15.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.046 -1.154 -16.248 1.00 0.00 H new ATOM 118 N VAL A 11 -0.117 3.238 -11.694 1.00 0.00 N ATOM 119 CA VAL A 11 -1.285 3.910 -11.139 1.00 0.00 C ATOM 120 C VAL A 11 -2.542 3.067 -11.320 1.00 0.00 C ATOM 121 O VAL A 11 -2.801 2.542 -12.403 1.00 0.00 O ATOM 122 CB VAL A 11 -1.506 5.286 -11.795 1.00 0.00 C ATOM 123 CG1 VAL A 11 -0.177 5.900 -12.208 1.00 0.00 C ATOM 124 CG2 VAL A 11 -2.439 5.163 -12.990 1.00 0.00 C ATOM 0 H VAL A 11 0.001 3.359 -12.700 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.093 4.049 -10.075 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.973 5.946 -11.064 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.353 6.872 -12.670 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.455 6.025 -11.329 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.321 5.244 -12.922 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.584 6.145 -13.441 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.002 4.487 -13.725 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.401 4.769 -12.662 1.00 0.00 H new ATOM 134 N VAL A 12 -3.322 2.940 -10.251 1.00 0.00 N ATOM 135 CA VAL A 12 -4.553 2.160 -10.291 1.00 0.00 C ATOM 136 C VAL A 12 -5.763 3.027 -9.959 1.00 0.00 C ATOM 137 O VAL A 12 -5.803 3.685 -8.919 1.00 0.00 O ATOM 138 CB VAL A 12 -4.500 0.975 -9.308 1.00 0.00 C ATOM 139 CG1 VAL A 12 -5.838 0.251 -9.272 1.00 0.00 C ATOM 140 CG2 VAL A 12 -3.378 0.021 -9.686 1.00 0.00 C ATOM 0 H VAL A 12 -3.123 3.367 -9.347 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.651 1.776 -11.306 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.297 1.361 -8.309 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.782 -0.583 -8.572 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.617 0.942 -8.951 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.075 -0.126 -10.267 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.354 -0.810 -8.981 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.549 -0.361 -10.692 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.425 0.550 -9.655 1.00 0.00 H new ATOM 150 N VAL A 13 -6.749 3.024 -10.851 1.00 0.00 N ATOM 151 CA VAL A 13 -7.962 3.809 -10.653 1.00 0.00 C ATOM 152 C VAL A 13 -9.101 2.938 -10.135 1.00 0.00 C ATOM 153 O VAL A 13 -8.969 1.719 -10.036 1.00 0.00 O ATOM 154 CB VAL A 13 -8.406 4.493 -11.959 1.00 0.00 C ATOM 155 CG1 VAL A 13 -7.558 5.726 -12.231 1.00 0.00 C ATOM 156 CG2 VAL A 13 -8.333 3.517 -13.124 1.00 0.00 C ATOM 0 H VAL A 13 -6.731 2.487 -11.718 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.728 4.574 -9.912 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.442 4.812 -11.847 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.886 6.196 -13.158 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.667 6.432 -11.408 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.512 5.435 -12.323 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.650 4.018 -14.039 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.308 3.165 -13.240 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.988 2.668 -12.929 1.00 0.00 H new ATOM 166 N GLY A 14 -10.221 3.574 -9.804 1.00 0.00 N ATOM 167 CA GLY A 14 -11.368 2.842 -9.300 1.00 0.00 C ATOM 168 C GLY A 14 -11.899 1.835 -10.301 1.00 0.00 C ATOM 169 O GLY A 14 -12.366 0.760 -9.924 1.00 0.00 O ATOM 0 H GLY A 14 -10.354 4.583 -9.876 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.090 2.325 -8.382 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.160 3.546 -9.042 1.00 0.00 H new ATOM 173 N LYS A 15 -11.829 2.182 -11.582 1.00 0.00 N ATOM 174 CA LYS A 15 -12.306 1.301 -12.641 1.00 0.00 C ATOM 175 C LYS A 15 -11.366 0.115 -12.827 1.00 0.00 C ATOM 176 O LYS A 15 -11.765 -0.934 -13.335 1.00 0.00 O ATOM 177 CB LYS A 15 -12.436 2.074 -13.956 1.00 0.00 C ATOM 178 CG LYS A 15 -11.125 2.211 -14.712 1.00 0.00 C ATOM 179 CD LYS A 15 -11.245 3.200 -15.859 1.00 0.00 C ATOM 180 CE LYS A 15 -11.298 4.634 -15.356 1.00 0.00 C ATOM 181 NZ LYS A 15 -11.602 5.596 -16.452 1.00 0.00 N ATOM 0 H LYS A 15 -11.446 3.068 -11.912 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.286 0.923 -12.351 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.163 1.571 -14.594 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.831 3.068 -13.746 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.342 2.538 -14.028 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.824 1.238 -15.099 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.397 3.081 -16.533 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -12.144 2.982 -16.436 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.057 4.718 -14.578 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.343 4.894 -14.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.629 6.562 -16.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.864 5.534 -17.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.525 5.364 -16.872 1.00 0.00 H new ATOM 195 N THR A 16 -10.115 0.286 -12.411 1.00 0.00 N ATOM 196 CA THR A 16 -9.118 -0.770 -12.531 1.00 0.00 C ATOM 197 C THR A 16 -8.548 -1.146 -11.168 1.00 0.00 C ATOM 198 O THR A 16 -7.443 -1.681 -11.072 1.00 0.00 O ATOM 199 CB THR A 16 -7.963 -0.350 -13.459 1.00 0.00 C ATOM 200 OG1 THR A 16 -7.112 0.586 -12.789 1.00 0.00 O ATOM 201 CG2 THR A 16 -8.498 0.271 -14.741 1.00 0.00 C ATOM 0 H THR A 16 -9.768 1.147 -11.988 1.00 0.00 H new ATOM 0 HA THR A 16 -9.624 -1.634 -12.961 1.00 0.00 H new ATOM 0 HB THR A 16 -7.390 -1.241 -13.717 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.379 0.847 -13.385 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.664 0.560 -15.381 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.122 -0.454 -15.264 1.00 0.00 H new ATOM 0 HG23 THR A 16 -9.091 1.152 -14.498 1.00 0.00 H new ATOM 209 N PHE A 17 -9.309 -0.864 -10.116 1.00 0.00 N ATOM 210 CA PHE A 17 -8.879 -1.173 -8.757 1.00 0.00 C ATOM 211 C PHE A 17 -9.149 -2.637 -8.420 1.00 0.00 C ATOM 212 O PHE A 17 -8.258 -3.354 -7.965 1.00 0.00 O ATOM 213 CB PHE A 17 -9.596 -0.267 -7.754 1.00 0.00 C ATOM 214 CG PHE A 17 -9.348 -0.643 -6.321 1.00 0.00 C ATOM 215 CD1 PHE A 17 -9.998 -1.727 -5.754 1.00 0.00 C ATOM 216 CD2 PHE A 17 -8.464 0.087 -5.542 1.00 0.00 C ATOM 217 CE1 PHE A 17 -9.772 -2.077 -4.436 1.00 0.00 C ATOM 218 CE2 PHE A 17 -8.234 -0.259 -4.224 1.00 0.00 C ATOM 219 CZ PHE A 17 -8.889 -1.341 -3.670 1.00 0.00 C ATOM 0 H PHE A 17 -10.226 -0.422 -10.178 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.805 -0.996 -8.694 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.274 0.762 -7.912 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.668 -0.299 -7.949 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.689 -2.305 -6.349 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.950 0.935 -5.969 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.285 -2.924 -4.006 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.542 0.317 -3.627 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.711 -1.611 -2.640 1.00 0.00 H new ATOM 229 N ASP A 18 -10.384 -3.071 -8.646 1.00 0.00 N ATOM 230 CA ASP A 18 -10.772 -4.449 -8.368 1.00 0.00 C ATOM 231 C ASP A 18 -10.124 -5.408 -9.361 1.00 0.00 C ATOM 232 O ASP A 18 -10.220 -6.626 -9.216 1.00 0.00 O ATOM 233 CB ASP A 18 -12.294 -4.593 -8.420 1.00 0.00 C ATOM 234 CG ASP A 18 -12.957 -4.211 -7.111 1.00 0.00 C ATOM 235 OD1 ASP A 18 -13.266 -3.015 -6.928 1.00 0.00 O ATOM 236 OD2 ASP A 18 -13.168 -5.109 -6.270 1.00 0.00 O ATOM 0 H ASP A 18 -11.133 -2.489 -9.021 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.424 -4.703 -7.367 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.688 -3.966 -9.220 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.550 -5.623 -8.667 1.00 0.00 H new ATOM 241 N ALA A 19 -9.464 -4.849 -10.371 1.00 0.00 N ATOM 242 CA ALA A 19 -8.799 -5.654 -11.388 1.00 0.00 C ATOM 243 C ALA A 19 -7.309 -5.786 -11.095 1.00 0.00 C ATOM 244 O ALA A 19 -6.738 -6.872 -11.209 1.00 0.00 O ATOM 245 CB ALA A 19 -9.017 -5.048 -12.766 1.00 0.00 C ATOM 0 H ALA A 19 -9.376 -3.842 -10.506 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.236 -6.652 -11.370 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.515 -5.659 -13.516 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.085 -5.012 -12.983 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.608 -4.038 -12.788 1.00 0.00 H new ATOM 251 N ILE A 20 -6.683 -4.676 -10.719 1.00 0.00 N ATOM 252 CA ILE A 20 -5.259 -4.669 -10.410 1.00 0.00 C ATOM 253 C ILE A 20 -5.019 -4.883 -8.920 1.00 0.00 C ATOM 254 O ILE A 20 -4.525 -5.932 -8.504 1.00 0.00 O ATOM 255 CB ILE A 20 -4.596 -3.347 -10.841 1.00 0.00 C ATOM 256 CG1 ILE A 20 -4.677 -3.182 -12.359 1.00 0.00 C ATOM 257 CG2 ILE A 20 -3.149 -3.304 -10.374 1.00 0.00 C ATOM 258 CD1 ILE A 20 -4.463 -1.758 -12.825 1.00 0.00 C ATOM 0 H ILE A 20 -7.140 -3.769 -10.621 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.811 -5.490 -10.969 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.132 -2.520 -10.376 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.931 -3.825 -12.826 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.653 -3.525 -12.702 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.694 -2.364 -10.686 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.115 -3.381 -9.287 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.600 -4.137 -10.814 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.534 -1.716 -13.912 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.225 -1.113 -12.386 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.476 -1.417 -12.513 1.00 0.00 H new ATOM 270 N VAL A 21 -5.372 -3.883 -8.119 1.00 0.00 N ATOM 271 CA VAL A 21 -5.198 -3.963 -6.673 1.00 0.00 C ATOM 272 C VAL A 21 -5.808 -5.244 -6.116 1.00 0.00 C ATOM 273 O VAL A 21 -5.371 -5.754 -5.085 1.00 0.00 O ATOM 274 CB VAL A 21 -5.835 -2.753 -5.964 1.00 0.00 C ATOM 275 CG1 VAL A 21 -5.563 -2.808 -4.468 1.00 0.00 C ATOM 276 CG2 VAL A 21 -5.318 -1.453 -6.561 1.00 0.00 C ATOM 0 H VAL A 21 -5.780 -3.008 -8.447 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.125 -3.963 -6.482 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.914 -2.791 -6.115 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.020 -1.946 -3.983 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.986 -3.723 -4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.487 -2.794 -4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.779 -0.609 -6.048 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.236 -1.403 -6.442 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.569 -1.414 -7.621 1.00 0.00 H new ATOM 286 N MET A 22 -6.821 -5.759 -6.805 1.00 0.00 N ATOM 287 CA MET A 22 -7.490 -6.983 -6.380 1.00 0.00 C ATOM 288 C MET A 22 -7.217 -8.121 -7.359 1.00 0.00 C ATOM 289 O MET A 22 -8.099 -8.932 -7.643 1.00 0.00 O ATOM 290 CB MET A 22 -8.998 -6.749 -6.259 1.00 0.00 C ATOM 291 CG MET A 22 -9.372 -5.744 -5.182 1.00 0.00 C ATOM 292 SD MET A 22 -9.097 -6.377 -3.516 1.00 0.00 S ATOM 293 CE MET A 22 -8.616 -4.879 -2.660 1.00 0.00 C ATOM 0 H MET A 22 -7.196 -5.348 -7.660 1.00 0.00 H new ATOM 0 HA MET A 22 -7.093 -7.264 -5.405 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.382 -6.401 -7.218 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.489 -7.698 -6.045 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.789 -4.834 -5.322 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.421 -5.471 -5.294 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.995 -4.906 -1.639 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.529 -4.804 -2.641 1.00 0.00 H new ATOM 0 HE3 MET A 22 -9.031 -4.015 -3.178 1.00 0.00 H new ATOM 303 N ASP A 23 -5.993 -8.174 -7.870 1.00 0.00 N ATOM 304 CA ASP A 23 -5.604 -9.213 -8.817 1.00 0.00 C ATOM 305 C ASP A 23 -5.077 -10.444 -8.086 1.00 0.00 C ATOM 306 O ASP A 23 -3.988 -10.436 -7.512 1.00 0.00 O ATOM 307 CB ASP A 23 -4.541 -8.682 -9.780 1.00 0.00 C ATOM 308 CG ASP A 23 -4.606 -9.352 -11.139 1.00 0.00 C ATOM 309 OD1 ASP A 23 -5.073 -10.508 -11.209 1.00 0.00 O ATOM 310 OD2 ASP A 23 -4.191 -8.719 -12.132 1.00 0.00 O ATOM 0 H ASP A 23 -5.252 -7.510 -7.645 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.488 -9.501 -9.387 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.670 -7.606 -9.902 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.553 -8.838 -9.348 1.00 0.00 H new ATOM 315 N PRO A 24 -5.867 -11.527 -8.105 1.00 0.00 N ATOM 316 CA PRO A 24 -5.501 -12.786 -7.449 1.00 0.00 C ATOM 317 C PRO A 24 -4.348 -13.493 -8.153 1.00 0.00 C ATOM 318 O PRO A 24 -3.960 -14.598 -7.774 1.00 0.00 O ATOM 319 CB PRO A 24 -6.780 -13.621 -7.546 1.00 0.00 C ATOM 320 CG PRO A 24 -7.500 -13.076 -8.731 1.00 0.00 C ATOM 321 CD PRO A 24 -7.178 -11.607 -8.771 1.00 0.00 C ATOM 0 HA PRO A 24 -5.155 -12.628 -6.427 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.553 -14.679 -7.673 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.381 -13.530 -6.641 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.176 -13.572 -9.646 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.574 -13.238 -8.644 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.133 -11.233 -9.794 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.931 -11.016 -8.249 1.00 0.00 H new ATOM 329 N LYS A 25 -3.803 -12.849 -9.180 1.00 0.00 N ATOM 330 CA LYS A 25 -2.693 -13.415 -9.937 1.00 0.00 C ATOM 331 C LYS A 25 -1.355 -13.007 -9.327 1.00 0.00 C ATOM 332 O LYS A 25 -0.314 -13.580 -9.649 1.00 0.00 O ATOM 333 CB LYS A 25 -2.760 -12.960 -11.396 1.00 0.00 C ATOM 334 CG LYS A 25 -3.981 -13.473 -12.138 1.00 0.00 C ATOM 335 CD LYS A 25 -3.712 -13.613 -13.627 1.00 0.00 C ATOM 336 CE LYS A 25 -4.990 -13.473 -14.440 1.00 0.00 C ATOM 337 NZ LYS A 25 -5.360 -12.046 -14.651 1.00 0.00 N ATOM 0 H LYS A 25 -4.113 -11.934 -9.507 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.775 -14.501 -9.897 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.757 -11.870 -11.428 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.862 -13.297 -11.914 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.277 -14.439 -11.729 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.816 -12.791 -11.981 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.995 -12.855 -13.941 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.257 -14.583 -13.826 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.861 -13.961 -15.406 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.804 -13.987 -13.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.236 -11.993 -15.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.508 -11.586 -13.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.595 -11.561 -15.161 1.00 0.00 H new ATOM 351 N LYS A 26 -1.391 -12.016 -8.443 1.00 0.00 N ATOM 352 CA LYS A 26 -0.182 -11.533 -7.785 1.00 0.00 C ATOM 353 C LYS A 26 -0.518 -10.477 -6.737 1.00 0.00 C ATOM 354 O LYS A 26 -1.520 -9.771 -6.852 1.00 0.00 O ATOM 355 CB LYS A 26 0.788 -10.953 -8.817 1.00 0.00 C ATOM 356 CG LYS A 26 0.229 -9.762 -9.575 1.00 0.00 C ATOM 357 CD LYS A 26 1.327 -8.795 -9.983 1.00 0.00 C ATOM 358 CE LYS A 26 2.075 -9.287 -11.212 1.00 0.00 C ATOM 359 NZ LYS A 26 1.251 -9.172 -12.447 1.00 0.00 N ATOM 0 H LYS A 26 -2.244 -11.531 -8.165 1.00 0.00 H new ATOM 0 HA LYS A 26 0.292 -12.378 -7.285 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.706 -10.653 -8.312 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.056 -11.733 -9.529 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.299 -10.110 -10.463 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.501 -9.244 -8.953 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.894 -7.816 -10.187 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.027 -8.668 -9.157 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.993 -8.711 -11.333 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.368 -10.327 -11.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.860 -9.288 -13.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.519 -9.911 -12.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.798 -8.236 -12.476 1.00 0.00 H new ATOM 373 N ASP A 27 0.326 -10.373 -5.717 1.00 0.00 N ATOM 374 CA ASP A 27 0.120 -9.400 -4.650 1.00 0.00 C ATOM 375 C ASP A 27 0.461 -7.991 -5.126 1.00 0.00 C ATOM 376 O ASP A 27 1.584 -7.723 -5.553 1.00 0.00 O ATOM 377 CB ASP A 27 0.972 -9.760 -3.432 1.00 0.00 C ATOM 378 CG ASP A 27 0.858 -11.225 -3.058 1.00 0.00 C ATOM 379 OD1 ASP A 27 0.237 -11.988 -3.828 1.00 0.00 O ATOM 380 OD2 ASP A 27 1.392 -11.609 -1.997 1.00 0.00 O ATOM 0 H ASP A 27 1.160 -10.950 -5.606 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.933 -9.424 -4.368 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.015 -9.521 -3.639 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.666 -9.147 -2.584 1.00 0.00 H new ATOM 385 N VAL A 28 -0.517 -7.094 -5.050 1.00 0.00 N ATOM 386 CA VAL A 28 -0.322 -5.713 -5.473 1.00 0.00 C ATOM 387 C VAL A 28 -0.344 -4.764 -4.279 1.00 0.00 C ATOM 388 O VAL A 28 -1.256 -4.811 -3.452 1.00 0.00 O ATOM 389 CB VAL A 28 -1.401 -5.276 -6.481 1.00 0.00 C ATOM 390 CG1 VAL A 28 -1.270 -3.794 -6.796 1.00 0.00 C ATOM 391 CG2 VAL A 28 -1.310 -6.109 -7.751 1.00 0.00 C ATOM 0 H VAL A 28 -1.453 -7.299 -4.699 1.00 0.00 H new ATOM 0 HA VAL A 28 0.655 -5.665 -5.954 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.381 -5.442 -6.033 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.041 -3.504 -7.510 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.388 -3.215 -5.880 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.287 -3.599 -7.224 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.079 -5.787 -8.453 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.327 -5.976 -8.204 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.458 -7.161 -7.507 1.00 0.00 H new ATOM 401 N LEU A 29 0.665 -3.904 -4.195 1.00 0.00 N ATOM 402 CA LEU A 29 0.762 -2.943 -3.102 1.00 0.00 C ATOM 403 C LEU A 29 0.212 -1.584 -3.522 1.00 0.00 C ATOM 404 O LEU A 29 0.873 -0.829 -4.236 1.00 0.00 O ATOM 405 CB LEU A 29 2.216 -2.800 -2.650 1.00 0.00 C ATOM 406 CG LEU A 29 2.464 -1.851 -1.477 1.00 0.00 C ATOM 407 CD1 LEU A 29 2.265 -2.574 -0.154 1.00 0.00 C ATOM 408 CD2 LEU A 29 3.863 -1.257 -1.557 1.00 0.00 C ATOM 0 H LEU A 29 1.427 -3.853 -4.871 1.00 0.00 H new ATOM 0 HA LEU A 29 0.164 -3.315 -2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.590 -3.787 -2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.808 -2.458 -3.499 1.00 0.00 H new ATOM 0 HG LEU A 29 1.742 -1.037 -1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.446 -1.883 0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.243 -2.950 -0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.963 -3.409 -0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.021 -0.584 -0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.601 -2.059 -1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.970 -0.702 -2.489 1.00 0.00 H new ATOM 420 N ILE A 30 -1.000 -1.277 -3.073 1.00 0.00 N ATOM 421 CA ILE A 30 -1.637 -0.007 -3.400 1.00 0.00 C ATOM 422 C ILE A 30 -1.394 1.027 -2.306 1.00 0.00 C ATOM 423 O ILE A 30 -1.483 0.720 -1.118 1.00 0.00 O ATOM 424 CB ILE A 30 -3.154 -0.174 -3.605 1.00 0.00 C ATOM 425 CG1 ILE A 30 -3.771 1.134 -4.105 1.00 0.00 C ATOM 426 CG2 ILE A 30 -3.818 -0.618 -2.309 1.00 0.00 C ATOM 427 CD1 ILE A 30 -3.487 1.417 -5.563 1.00 0.00 C ATOM 0 H ILE A 30 -1.561 -1.890 -2.482 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.189 0.340 -4.331 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.321 -0.944 -4.359 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.850 1.099 -3.954 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.391 1.959 -3.502 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.890 -0.732 -2.470 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.396 -1.571 -1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.645 0.131 -1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.955 2.359 -5.849 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.410 1.485 -5.717 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.891 0.611 -6.176 1.00 0.00 H new ATOM 439 N GLU A 31 -1.089 2.254 -2.717 1.00 0.00 N ATOM 440 CA GLU A 31 -0.834 3.334 -1.771 1.00 0.00 C ATOM 441 C GLU A 31 -1.680 4.560 -2.104 1.00 0.00 C ATOM 442 O GLU A 31 -1.459 5.223 -3.118 1.00 0.00 O ATOM 443 CB GLU A 31 0.650 3.708 -1.776 1.00 0.00 C ATOM 444 CG GLU A 31 1.000 4.822 -0.805 1.00 0.00 C ATOM 445 CD GLU A 31 0.623 6.194 -1.331 1.00 0.00 C ATOM 446 OE1 GLU A 31 0.863 6.456 -2.528 1.00 0.00 O ATOM 447 OE2 GLU A 31 0.089 7.005 -0.546 1.00 0.00 O ATOM 0 H GLU A 31 -1.013 2.525 -3.697 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.109 2.983 -0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.239 2.825 -1.530 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.936 4.012 -2.783 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.490 4.647 0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.070 4.797 -0.600 1.00 0.00 H new ATOM 454 N PHE A 32 -2.649 4.855 -1.245 1.00 0.00 N ATOM 455 CA PHE A 32 -3.529 6.000 -1.448 1.00 0.00 C ATOM 456 C PHE A 32 -2.810 7.304 -1.116 1.00 0.00 C ATOM 457 O PHE A 32 -2.574 7.616 0.051 1.00 0.00 O ATOM 458 CB PHE A 32 -4.786 5.863 -0.585 1.00 0.00 C ATOM 459 CG PHE A 32 -5.391 4.489 -0.621 1.00 0.00 C ATOM 460 CD1 PHE A 32 -5.678 3.875 -1.829 1.00 0.00 C ATOM 461 CD2 PHE A 32 -5.672 3.811 0.554 1.00 0.00 C ATOM 462 CE1 PHE A 32 -6.235 2.611 -1.865 1.00 0.00 C ATOM 463 CE2 PHE A 32 -6.228 2.546 0.525 1.00 0.00 C ATOM 464 CZ PHE A 32 -6.511 1.946 -0.687 1.00 0.00 C ATOM 0 H PHE A 32 -2.845 4.317 -0.401 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.818 6.023 -2.499 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.538 6.115 0.446 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.528 6.587 -0.921 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.464 4.390 -2.754 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.454 4.276 1.504 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.454 2.144 -2.814 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.441 2.027 1.448 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.947 0.958 -0.713 1.00 0.00 H new ATOM 474 N TYR A 33 -2.464 8.062 -2.151 1.00 0.00 N ATOM 475 CA TYR A 33 -1.770 9.331 -1.971 1.00 0.00 C ATOM 476 C TYR A 33 -2.696 10.506 -2.267 1.00 0.00 C ATOM 477 O TYR A 33 -3.658 10.377 -3.025 1.00 0.00 O ATOM 478 CB TYR A 33 -0.539 9.396 -2.878 1.00 0.00 C ATOM 479 CG TYR A 33 -0.876 9.521 -4.347 1.00 0.00 C ATOM 480 CD1 TYR A 33 -1.162 10.758 -4.911 1.00 0.00 C ATOM 481 CD2 TYR A 33 -0.909 8.402 -5.170 1.00 0.00 C ATOM 482 CE1 TYR A 33 -1.470 10.877 -6.253 1.00 0.00 C ATOM 483 CE2 TYR A 33 -1.215 8.512 -6.512 1.00 0.00 C ATOM 484 CZ TYR A 33 -1.495 9.751 -7.049 1.00 0.00 C ATOM 485 OH TYR A 33 -1.802 9.864 -8.386 1.00 0.00 O ATOM 0 H TYR A 33 -2.653 7.819 -3.123 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.451 9.397 -0.931 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.076 10.245 -2.581 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.062 8.499 -2.726 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.143 11.642 -4.290 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.692 7.430 -4.753 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.690 11.846 -6.676 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.235 7.632 -7.138 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.512 10.529 -8.504 1.00 0.00 H new ATOM 495 N ALA A 34 -2.399 11.652 -1.664 1.00 0.00 N ATOM 496 CA ALA A 34 -3.203 12.852 -1.864 1.00 0.00 C ATOM 497 C ALA A 34 -2.377 13.966 -2.499 1.00 0.00 C ATOM 498 O ALA A 34 -1.297 14.318 -2.026 1.00 0.00 O ATOM 499 CB ALA A 34 -3.793 13.318 -0.541 1.00 0.00 C ATOM 0 H ALA A 34 -1.607 11.775 -1.033 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.017 12.605 -2.545 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.391 14.215 -0.705 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.424 12.532 -0.127 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.987 13.542 0.158 1.00 0.00 H new ATOM 505 N PRO A 35 -2.896 14.534 -3.598 1.00 0.00 N ATOM 506 CA PRO A 35 -2.223 15.617 -4.321 1.00 0.00 C ATOM 507 C PRO A 35 -2.210 16.922 -3.533 1.00 0.00 C ATOM 508 O PRO A 35 -1.731 17.947 -4.018 1.00 0.00 O ATOM 509 CB PRO A 35 -3.061 15.769 -5.593 1.00 0.00 C ATOM 510 CG PRO A 35 -4.411 15.262 -5.219 1.00 0.00 C ATOM 511 CD PRO A 35 -4.179 14.165 -4.218 1.00 0.00 C ATOM 0 HA PRO A 35 -1.174 15.389 -4.509 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -3.104 16.809 -5.917 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.637 15.196 -6.417 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -5.022 16.057 -4.792 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.943 14.886 -6.093 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.982 14.116 -3.482 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.127 13.188 -4.698 1.00 0.00 H new ATOM 519 N TRP A 36 -2.740 16.877 -2.316 1.00 0.00 N ATOM 520 CA TRP A 36 -2.789 18.056 -1.459 1.00 0.00 C ATOM 521 C TRP A 36 -2.053 17.808 -0.148 1.00 0.00 C ATOM 522 O TRP A 36 -2.160 18.596 0.793 1.00 0.00 O ATOM 523 CB TRP A 36 -4.241 18.447 -1.178 1.00 0.00 C ATOM 524 CG TRP A 36 -5.131 17.272 -0.908 1.00 0.00 C ATOM 525 CD1 TRP A 36 -6.021 16.702 -1.773 1.00 0.00 C ATOM 526 CD2 TRP A 36 -5.218 16.525 0.311 1.00 0.00 C ATOM 527 NE1 TRP A 36 -6.656 15.645 -1.165 1.00 0.00 N ATOM 528 CE2 TRP A 36 -6.180 15.516 0.113 1.00 0.00 C ATOM 529 CE3 TRP A 36 -4.575 16.609 1.548 1.00 0.00 C ATOM 530 CZ2 TRP A 36 -6.514 14.600 1.108 1.00 0.00 C ATOM 531 CZ3 TRP A 36 -4.907 15.700 2.535 1.00 0.00 C ATOM 532 CH2 TRP A 36 -5.868 14.706 2.310 1.00 0.00 C ATOM 0 H TRP A 36 -3.142 16.037 -1.900 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.294 18.875 -1.981 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.269 19.120 -0.321 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.632 19.001 -2.031 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.200 17.033 -2.785 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.366 15.053 -1.596 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.831 17.371 1.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.256 13.834 0.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.417 15.757 3.496 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.104 14.009 3.101 1.00 0.00 H new ATOM 543 N CYS A 37 -1.308 16.710 -0.091 1.00 0.00 N ATOM 544 CA CYS A 37 -0.555 16.358 1.107 1.00 0.00 C ATOM 545 C CYS A 37 0.944 16.525 0.876 1.00 0.00 C ATOM 546 O CYS A 37 1.489 16.030 -0.109 1.00 0.00 O ATOM 547 CB CYS A 37 -0.861 14.919 1.523 1.00 0.00 C ATOM 548 SG CYS A 37 -0.355 14.515 3.212 1.00 0.00 S ATOM 0 H CYS A 37 -1.209 16.048 -0.861 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.859 17.032 1.908 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.932 14.744 1.424 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.362 14.239 0.833 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.657 13.278 3.471 1.00 0.00 H new ATOM 554 N GLY A 38 1.604 17.229 1.791 1.00 0.00 N ATOM 555 CA GLY A 38 3.033 17.451 1.667 1.00 0.00 C ATOM 556 C GLY A 38 3.835 16.178 1.850 1.00 0.00 C ATOM 557 O GLY A 38 4.905 16.020 1.262 1.00 0.00 O ATOM 0 H GLY A 38 1.175 17.649 2.615 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.248 17.874 0.686 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.349 18.186 2.408 1.00 0.00 H new ATOM 561 N HIS A 39 3.319 15.268 2.670 1.00 0.00 N ATOM 562 CA HIS A 39 3.996 14.002 2.930 1.00 0.00 C ATOM 563 C HIS A 39 4.106 13.173 1.654 1.00 0.00 C ATOM 564 O HIS A 39 5.034 12.379 1.497 1.00 0.00 O ATOM 565 CB HIS A 39 3.248 13.211 4.003 1.00 0.00 C ATOM 566 CG HIS A 39 3.064 13.965 5.284 1.00 0.00 C ATOM 567 ND1 HIS A 39 4.080 14.669 5.896 1.00 0.00 N ATOM 568 CD2 HIS A 39 1.973 14.124 6.069 1.00 0.00 C ATOM 569 CE1 HIS A 39 3.622 15.227 7.002 1.00 0.00 C ATOM 570 NE2 HIS A 39 2.345 14.912 7.130 1.00 0.00 N ATOM 0 H HIS A 39 2.435 15.383 3.166 1.00 0.00 H new ATOM 0 HA HIS A 39 5.002 14.222 3.287 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.270 12.925 3.616 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.792 12.289 4.209 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.992 13.708 5.893 1.00 0.00 H new ATOM 0 HE1 HIS A 39 4.194 15.837 7.686 1.00 0.00 H new ATOM 0 HE2 HIS A 39 1.735 15.206 7.893 1.00 0.00 H new ATOM 579 N CYS A 40 3.153 13.362 0.748 1.00 0.00 N ATOM 580 CA CYS A 40 3.143 12.630 -0.514 1.00 0.00 C ATOM 581 C CYS A 40 4.258 13.115 -1.434 1.00 0.00 C ATOM 582 O CYS A 40 4.809 12.345 -2.220 1.00 0.00 O ATOM 583 CB CYS A 40 1.789 12.787 -1.207 1.00 0.00 C ATOM 584 SG CYS A 40 1.834 12.493 -2.991 1.00 0.00 S ATOM 0 H CYS A 40 2.378 14.015 0.863 1.00 0.00 H new ATOM 0 HA CYS A 40 3.311 11.576 -0.295 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.079 12.096 -0.754 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.414 13.794 -1.025 1.00 0.00 H new ATOM 0 HG CYS A 40 0.642 12.647 -3.486 1.00 0.00 H new ATOM 590 N LYS A 41 4.585 14.399 -1.331 1.00 0.00 N ATOM 591 CA LYS A 41 5.635 14.989 -2.154 1.00 0.00 C ATOM 592 C LYS A 41 7.002 14.429 -1.776 1.00 0.00 C ATOM 593 O LYS A 41 7.811 14.105 -2.645 1.00 0.00 O ATOM 594 CB LYS A 41 5.636 16.512 -2.000 1.00 0.00 C ATOM 595 CG LYS A 41 4.280 17.150 -2.254 1.00 0.00 C ATOM 596 CD LYS A 41 4.398 18.652 -2.443 1.00 0.00 C ATOM 597 CE LYS A 41 3.040 19.333 -2.361 1.00 0.00 C ATOM 598 NZ LYS A 41 2.259 19.164 -3.618 1.00 0.00 N ATOM 0 H LYS A 41 4.138 15.051 -0.686 1.00 0.00 H new ATOM 0 HA LYS A 41 5.433 14.735 -3.194 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.965 16.767 -0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.364 16.938 -2.690 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.828 16.705 -3.140 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.615 16.939 -1.417 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.060 19.065 -1.681 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.854 18.863 -3.410 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.476 18.920 -1.525 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.178 20.395 -2.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.340 19.642 -3.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.785 19.581 -4.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.105 18.151 -3.798 1.00 0.00 H new ATOM 612 N GLN A 42 7.252 14.317 -0.475 1.00 0.00 N ATOM 613 CA GLN A 42 8.522 13.795 0.016 1.00 0.00 C ATOM 614 C GLN A 42 8.628 12.295 -0.238 1.00 0.00 C ATOM 615 O GLN A 42 9.725 11.758 -0.396 1.00 0.00 O ATOM 616 CB GLN A 42 8.671 14.083 1.511 1.00 0.00 C ATOM 617 CG GLN A 42 7.946 13.084 2.399 1.00 0.00 C ATOM 618 CD GLN A 42 8.358 13.190 3.854 1.00 0.00 C ATOM 619 OE1 GLN A 42 9.526 13.424 4.165 1.00 0.00 O ATOM 620 NE2 GLN A 42 7.398 13.019 4.755 1.00 0.00 N ATOM 0 H GLN A 42 6.593 14.580 0.257 1.00 0.00 H new ATOM 0 HA GLN A 42 9.326 14.294 -0.525 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.730 14.083 1.769 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.292 15.083 1.719 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.871 13.244 2.317 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.146 12.074 2.041 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.443 12.827 4.453 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.615 13.080 5.750 1.00 0.00 H new ATOM 629 N LEU A 43 7.482 11.623 -0.275 1.00 0.00 N ATOM 630 CA LEU A 43 7.446 10.184 -0.509 1.00 0.00 C ATOM 631 C LEU A 43 7.421 9.876 -2.003 1.00 0.00 C ATOM 632 O LEU A 43 7.866 8.813 -2.434 1.00 0.00 O ATOM 633 CB LEU A 43 6.223 9.567 0.171 1.00 0.00 C ATOM 634 CG LEU A 43 6.018 8.068 -0.048 1.00 0.00 C ATOM 635 CD1 LEU A 43 7.033 7.267 0.752 1.00 0.00 C ATOM 636 CD2 LEU A 43 4.600 7.663 0.328 1.00 0.00 C ATOM 0 H LEU A 43 6.566 12.052 -0.146 1.00 0.00 H new ATOM 0 HA LEU A 43 8.349 9.749 -0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.297 9.750 1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.334 10.090 -0.181 1.00 0.00 H new ATOM 0 HG LEU A 43 6.168 7.851 -1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.871 6.202 0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.040 7.536 0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.916 7.488 1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.472 6.593 0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.422 7.895 1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.889 8.211 -0.290 1.00 0.00 H new ATOM 648 N GLU A 44 6.899 10.814 -2.787 1.00 0.00 N ATOM 649 CA GLU A 44 6.817 10.643 -4.232 1.00 0.00 C ATOM 650 C GLU A 44 8.015 9.855 -4.755 1.00 0.00 C ATOM 651 O GLU A 44 7.875 8.797 -5.369 1.00 0.00 O ATOM 652 CB GLU A 44 6.746 12.004 -4.927 1.00 0.00 C ATOM 653 CG GLU A 44 5.327 12.477 -5.194 1.00 0.00 C ATOM 654 CD GLU A 44 5.240 13.420 -6.378 1.00 0.00 C ATOM 655 OE1 GLU A 44 6.030 14.385 -6.429 1.00 0.00 O ATOM 656 OE2 GLU A 44 4.380 13.192 -7.255 1.00 0.00 O ATOM 0 H GLU A 44 6.527 11.700 -2.445 1.00 0.00 H new ATOM 0 HA GLU A 44 5.909 10.082 -4.454 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.257 12.744 -4.311 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.286 11.948 -5.872 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.688 11.613 -5.375 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.942 12.978 -4.306 1.00 0.00 H new ATOM 663 N PRO A 45 9.223 10.383 -4.507 1.00 0.00 N ATOM 664 CA PRO A 45 10.470 9.747 -4.944 1.00 0.00 C ATOM 665 C PRO A 45 10.765 8.463 -4.177 1.00 0.00 C ATOM 666 O PRO A 45 11.142 7.449 -4.766 1.00 0.00 O ATOM 667 CB PRO A 45 11.533 10.806 -4.643 1.00 0.00 C ATOM 668 CG PRO A 45 10.950 11.626 -3.544 1.00 0.00 C ATOM 669 CD PRO A 45 9.466 11.641 -3.781 1.00 0.00 C ATOM 0 HA PRO A 45 10.430 9.449 -5.992 1.00 0.00 H new ATOM 0 HB2 PRO A 45 12.474 10.347 -4.338 1.00 0.00 H new ATOM 0 HB3 PRO A 45 11.745 11.415 -5.522 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.185 11.197 -2.570 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.357 12.637 -3.554 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.910 11.678 -2.844 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.162 12.508 -4.367 1.00 0.00 H new ATOM 677 N ILE A 46 10.591 8.512 -2.860 1.00 0.00 N ATOM 678 CA ILE A 46 10.837 7.351 -2.013 1.00 0.00 C ATOM 679 C ILE A 46 10.076 6.131 -2.519 1.00 0.00 C ATOM 680 O ILE A 46 10.572 5.006 -2.454 1.00 0.00 O ATOM 681 CB ILE A 46 10.434 7.625 -0.552 1.00 0.00 C ATOM 682 CG1 ILE A 46 11.355 8.680 0.064 1.00 0.00 C ATOM 683 CG2 ILE A 46 10.477 6.338 0.259 1.00 0.00 C ATOM 684 CD1 ILE A 46 10.735 9.416 1.232 1.00 0.00 C ATOM 0 H ILE A 46 10.281 9.343 -2.357 1.00 0.00 H new ATOM 0 HA ILE A 46 11.908 7.151 -2.054 1.00 0.00 H new ATOM 0 HB ILE A 46 9.413 8.007 -0.537 1.00 0.00 H new ATOM 0 HG12 ILE A 46 12.275 8.198 0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.632 9.402 -0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.190 6.547 1.289 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.785 5.614 -0.171 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.487 5.929 0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.444 10.148 1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.830 9.926 0.902 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.483 8.704 2.018 1.00 0.00 H new ATOM 696 N TYR A 47 8.869 6.361 -3.024 1.00 0.00 N ATOM 697 CA TYR A 47 8.038 5.280 -3.540 1.00 0.00 C ATOM 698 C TYR A 47 8.486 4.868 -4.939 1.00 0.00 C ATOM 699 O TYR A 47 8.398 3.699 -5.315 1.00 0.00 O ATOM 700 CB TYR A 47 6.569 5.706 -3.568 1.00 0.00 C ATOM 701 CG TYR A 47 5.601 4.555 -3.407 1.00 0.00 C ATOM 702 CD1 TYR A 47 5.680 3.703 -2.313 1.00 0.00 C ATOM 703 CD2 TYR A 47 4.607 4.321 -4.350 1.00 0.00 C ATOM 704 CE1 TYR A 47 4.799 2.650 -2.163 1.00 0.00 C ATOM 705 CE2 TYR A 47 3.720 3.272 -4.207 1.00 0.00 C ATOM 706 CZ TYR A 47 3.821 2.438 -3.112 1.00 0.00 C ATOM 707 OH TYR A 47 2.940 1.392 -2.965 1.00 0.00 O ATOM 0 H TYR A 47 8.444 7.286 -3.087 1.00 0.00 H new ATOM 0 HA TYR A 47 8.148 4.423 -2.876 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.394 6.430 -2.773 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.364 6.213 -4.511 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.443 3.867 -1.567 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.527 4.971 -5.209 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.876 1.996 -1.307 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.952 3.105 -4.948 1.00 0.00 H new ATOM 0 HH TYR A 47 2.398 1.304 -3.777 1.00 0.00 H new ATOM 717 N THR A 48 8.969 5.840 -5.708 1.00 0.00 N ATOM 718 CA THR A 48 9.432 5.581 -7.066 1.00 0.00 C ATOM 719 C THR A 48 10.426 4.426 -7.098 1.00 0.00 C ATOM 720 O THR A 48 10.171 3.391 -7.713 1.00 0.00 O ATOM 721 CB THR A 48 10.092 6.829 -7.682 1.00 0.00 C ATOM 722 OG1 THR A 48 9.125 7.876 -7.821 1.00 0.00 O ATOM 723 CG2 THR A 48 10.697 6.507 -9.039 1.00 0.00 C ATOM 0 H THR A 48 9.050 6.813 -5.413 1.00 0.00 H new ATOM 0 HA THR A 48 8.553 5.316 -7.654 1.00 0.00 H new ATOM 0 HB THR A 48 10.889 7.158 -7.016 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.778 8.120 -6.938 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.157 7.404 -9.454 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.453 5.730 -8.925 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.915 6.156 -9.712 1.00 0.00 H new ATOM 731 N SER A 49 11.561 4.610 -6.430 1.00 0.00 N ATOM 732 CA SER A 49 12.596 3.584 -6.385 1.00 0.00 C ATOM 733 C SER A 49 12.055 2.294 -5.773 1.00 0.00 C ATOM 734 O SER A 49 12.420 1.195 -6.191 1.00 0.00 O ATOM 735 CB SER A 49 13.799 4.078 -5.580 1.00 0.00 C ATOM 736 OG SER A 49 14.537 5.045 -6.307 1.00 0.00 O ATOM 0 H SER A 49 11.787 5.460 -5.913 1.00 0.00 H new ATOM 0 HA SER A 49 12.913 3.377 -7.407 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.458 4.508 -4.638 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.444 3.236 -5.330 1.00 0.00 H new ATOM 0 HG SER A 49 15.300 5.346 -5.770 1.00 0.00 H new ATOM 742 N LEU A 50 11.184 2.437 -4.781 1.00 0.00 N ATOM 743 CA LEU A 50 10.592 1.285 -4.110 1.00 0.00 C ATOM 744 C LEU A 50 9.900 0.368 -5.113 1.00 0.00 C ATOM 745 O LEU A 50 9.846 -0.847 -4.924 1.00 0.00 O ATOM 746 CB LEU A 50 9.592 1.746 -3.048 1.00 0.00 C ATOM 747 CG LEU A 50 8.914 0.640 -2.240 1.00 0.00 C ATOM 748 CD1 LEU A 50 9.836 0.142 -1.137 1.00 0.00 C ATOM 749 CD2 LEU A 50 7.600 1.136 -1.655 1.00 0.00 C ATOM 0 H LEU A 50 10.872 3.340 -4.423 1.00 0.00 H new ATOM 0 HA LEU A 50 11.393 0.726 -3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.109 2.410 -2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.818 2.337 -3.538 1.00 0.00 H new ATOM 0 HG LEU A 50 8.700 -0.193 -2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.336 -0.645 -0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.751 -0.253 -1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.083 0.967 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.131 0.335 -1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.791 1.986 -1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.935 1.442 -2.462 1.00 0.00 H new ATOM 761 N GLY A 51 9.372 0.958 -6.181 1.00 0.00 N ATOM 762 CA GLY A 51 8.692 0.179 -7.199 1.00 0.00 C ATOM 763 C GLY A 51 9.631 -0.292 -8.292 1.00 0.00 C ATOM 764 O GLY A 51 9.788 -1.494 -8.510 1.00 0.00 O ATOM 0 H GLY A 51 9.403 1.962 -6.359 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.218 -0.685 -6.734 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.897 0.780 -7.641 1.00 0.00 H new ATOM 768 N LYS A 52 10.256 0.655 -8.982 1.00 0.00 N ATOM 769 CA LYS A 52 11.184 0.332 -10.059 1.00 0.00 C ATOM 770 C LYS A 52 12.156 -0.761 -9.629 1.00 0.00 C ATOM 771 O LYS A 52 12.584 -1.581 -10.442 1.00 0.00 O ATOM 772 CB LYS A 52 11.959 1.581 -10.484 1.00 0.00 C ATOM 773 CG LYS A 52 13.222 1.818 -9.674 1.00 0.00 C ATOM 774 CD LYS A 52 13.858 3.156 -10.011 1.00 0.00 C ATOM 775 CE LYS A 52 15.214 3.314 -9.339 1.00 0.00 C ATOM 776 NZ LYS A 52 16.321 2.812 -10.199 1.00 0.00 N ATOM 0 H LYS A 52 10.137 1.654 -8.814 1.00 0.00 H new ATOM 0 HA LYS A 52 10.605 -0.034 -10.907 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.224 1.493 -11.538 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.309 2.451 -10.391 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.985 1.784 -8.611 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.935 1.016 -9.867 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.974 3.243 -11.091 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.198 3.964 -9.695 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.383 4.365 -9.106 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.216 2.773 -8.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.228 2.937 -9.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.173 1.803 -10.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.336 3.345 -11.092 1.00 0.00 H new ATOM 790 N LYS A 53 12.502 -0.769 -8.346 1.00 0.00 N ATOM 791 CA LYS A 53 13.422 -1.763 -7.807 1.00 0.00 C ATOM 792 C LYS A 53 12.706 -3.085 -7.552 1.00 0.00 C ATOM 793 O LYS A 53 13.251 -4.158 -7.813 1.00 0.00 O ATOM 794 CB LYS A 53 14.052 -1.254 -6.509 1.00 0.00 C ATOM 795 CG LYS A 53 13.191 -1.492 -5.280 1.00 0.00 C ATOM 796 CD LYS A 53 13.609 -0.599 -4.124 1.00 0.00 C ATOM 797 CE LYS A 53 15.026 -0.908 -3.665 1.00 0.00 C ATOM 798 NZ LYS A 53 15.089 -2.166 -2.870 1.00 0.00 N ATOM 0 H LYS A 53 12.158 -0.097 -7.660 1.00 0.00 H new ATOM 0 HA LYS A 53 14.208 -1.931 -8.544 1.00 0.00 H new ATOM 0 HB2 LYS A 53 15.016 -1.743 -6.367 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.247 -0.186 -6.604 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.146 -1.305 -5.525 1.00 0.00 H new ATOM 0 HG3 LYS A 53 13.266 -2.537 -4.979 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.544 0.446 -4.428 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.918 -0.733 -3.291 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.679 -0.994 -4.534 1.00 0.00 H new ATOM 0 HE3 LYS A 53 15.402 -0.080 -3.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.071 -2.342 -2.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.486 -2.075 -2.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.754 -2.961 -3.451 1.00 0.00 H new ATOM 812 N TYR A 54 11.482 -3.002 -7.043 1.00 0.00 N ATOM 813 CA TYR A 54 10.692 -4.192 -6.753 1.00 0.00 C ATOM 814 C TYR A 54 9.972 -4.687 -8.004 1.00 0.00 C ATOM 815 O TYR A 54 9.237 -5.674 -7.963 1.00 0.00 O ATOM 816 CB TYR A 54 9.674 -3.898 -5.649 1.00 0.00 C ATOM 817 CG TYR A 54 10.194 -4.175 -4.257 1.00 0.00 C ATOM 818 CD1 TYR A 54 10.995 -3.252 -3.596 1.00 0.00 C ATOM 819 CD2 TYR A 54 9.884 -5.360 -3.601 1.00 0.00 C ATOM 820 CE1 TYR A 54 11.473 -3.502 -2.324 1.00 0.00 C ATOM 821 CE2 TYR A 54 10.356 -5.618 -2.329 1.00 0.00 C ATOM 822 CZ TYR A 54 11.150 -4.686 -1.695 1.00 0.00 C ATOM 823 OH TYR A 54 11.623 -4.938 -0.427 1.00 0.00 O ATOM 0 H TYR A 54 11.015 -2.122 -6.823 1.00 0.00 H new ATOM 0 HA TYR A 54 11.372 -4.974 -6.413 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.372 -2.853 -5.714 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.781 -4.499 -5.820 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.248 -2.323 -4.085 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.263 -6.093 -4.095 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.096 -2.774 -1.825 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.105 -6.544 -1.834 1.00 0.00 H new ATOM 0 HH TYR A 54 10.954 -4.659 0.233 1.00 0.00 H new ATOM 833 N LYS A 55 10.191 -3.995 -9.117 1.00 0.00 N ATOM 834 CA LYS A 55 9.566 -4.363 -10.382 1.00 0.00 C ATOM 835 C LYS A 55 10.005 -5.757 -10.820 1.00 0.00 C ATOM 836 O LYS A 55 9.195 -6.552 -11.294 1.00 0.00 O ATOM 837 CB LYS A 55 9.921 -3.341 -11.465 1.00 0.00 C ATOM 838 CG LYS A 55 8.937 -2.187 -11.558 1.00 0.00 C ATOM 839 CD LYS A 55 7.596 -2.641 -12.110 1.00 0.00 C ATOM 840 CE LYS A 55 6.748 -1.459 -12.555 1.00 0.00 C ATOM 841 NZ LYS A 55 7.171 -0.943 -13.886 1.00 0.00 N ATOM 0 H LYS A 55 10.797 -3.176 -9.169 1.00 0.00 H new ATOM 0 HA LYS A 55 8.486 -4.370 -10.237 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.916 -2.944 -11.266 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.967 -3.847 -12.429 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.795 -1.748 -10.570 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.349 -1.407 -12.198 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.757 -3.313 -12.953 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.061 -3.208 -11.348 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.701 -1.759 -12.598 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.821 -0.661 -11.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.569 -0.138 -14.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.163 -0.633 -13.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.077 -1.697 -14.596 1.00 0.00 H new ATOM 855 N GLY A 56 11.292 -6.046 -10.657 1.00 0.00 N ATOM 856 CA GLY A 56 11.815 -7.345 -11.039 1.00 0.00 C ATOM 857 C GLY A 56 11.569 -8.402 -9.982 1.00 0.00 C ATOM 858 O GLY A 56 12.397 -9.291 -9.781 1.00 0.00 O ATOM 0 H GLY A 56 11.982 -5.404 -10.267 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.354 -7.658 -11.976 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.886 -7.262 -11.223 1.00 0.00 H new ATOM 862 N GLN A 57 10.430 -8.306 -9.304 1.00 0.00 N ATOM 863 CA GLN A 57 10.080 -9.262 -8.259 1.00 0.00 C ATOM 864 C GLN A 57 9.150 -10.343 -8.801 1.00 0.00 C ATOM 865 O GLN A 57 8.787 -10.332 -9.977 1.00 0.00 O ATOM 866 CB GLN A 57 9.416 -8.543 -7.083 1.00 0.00 C ATOM 867 CG GLN A 57 10.388 -7.737 -6.236 1.00 0.00 C ATOM 868 CD GLN A 57 10.975 -8.543 -5.095 1.00 0.00 C ATOM 869 OE1 GLN A 57 12.192 -8.707 -4.997 1.00 0.00 O ATOM 870 NE2 GLN A 57 10.112 -9.050 -4.223 1.00 0.00 N ATOM 0 H GLN A 57 9.734 -7.577 -9.459 1.00 0.00 H new ATOM 0 HA GLN A 57 10.998 -9.738 -7.913 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.642 -7.878 -7.465 1.00 0.00 H new ATOM 0 HB3 GLN A 57 8.920 -9.279 -6.451 1.00 0.00 H new ATOM 0 HG2 GLN A 57 11.196 -7.368 -6.868 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.875 -6.864 -5.833 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.112 -8.889 -4.343 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.449 -9.600 -3.433 1.00 0.00 H new ATOM 879 N LYS A 58 8.769 -11.275 -7.935 1.00 0.00 N ATOM 880 CA LYS A 58 7.880 -12.364 -8.324 1.00 0.00 C ATOM 881 C LYS A 58 6.432 -12.037 -7.973 1.00 0.00 C ATOM 882 O LYS A 58 6.086 -11.888 -6.801 1.00 0.00 O ATOM 883 CB LYS A 58 8.301 -13.664 -7.636 1.00 0.00 C ATOM 884 CG LYS A 58 9.396 -14.416 -8.373 1.00 0.00 C ATOM 885 CD LYS A 58 8.824 -15.302 -9.468 1.00 0.00 C ATOM 886 CE LYS A 58 8.316 -16.621 -8.908 1.00 0.00 C ATOM 887 NZ LYS A 58 6.946 -16.491 -8.339 1.00 0.00 N ATOM 0 H LYS A 58 9.062 -11.299 -6.958 1.00 0.00 H new ATOM 0 HA LYS A 58 7.954 -12.491 -9.404 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.644 -13.436 -6.627 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.430 -14.312 -7.538 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.097 -13.705 -8.809 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.959 -15.026 -7.666 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.009 -14.781 -9.971 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.590 -15.495 -10.219 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.312 -17.373 -9.697 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.998 -16.974 -8.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.392 -17.340 -8.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.007 -16.389 -7.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.481 -15.653 -8.742 1.00 0.00 H new ATOM 901 N ASP A 59 5.591 -11.927 -8.995 1.00 0.00 N ATOM 902 CA ASP A 59 4.180 -11.619 -8.795 1.00 0.00 C ATOM 903 C ASP A 59 4.009 -10.480 -7.795 1.00 0.00 C ATOM 904 O ASP A 59 3.277 -10.607 -6.811 1.00 0.00 O ATOM 905 CB ASP A 59 3.430 -12.860 -8.306 1.00 0.00 C ATOM 906 CG ASP A 59 4.113 -14.149 -8.719 1.00 0.00 C ATOM 907 OD1 ASP A 59 4.262 -14.378 -9.938 1.00 0.00 O ATOM 908 OD2 ASP A 59 4.500 -14.928 -7.824 1.00 0.00 O ATOM 0 H ASP A 59 5.862 -12.047 -9.971 1.00 0.00 H new ATOM 0 HA ASP A 59 3.763 -11.305 -9.752 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.349 -12.827 -7.220 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.415 -12.847 -8.702 1.00 0.00 H new ATOM 913 N LEU A 60 4.688 -9.368 -8.051 1.00 0.00 N ATOM 914 CA LEU A 60 4.612 -8.205 -7.173 1.00 0.00 C ATOM 915 C LEU A 60 4.722 -6.911 -7.972 1.00 0.00 C ATOM 916 O LEU A 60 5.710 -6.681 -8.669 1.00 0.00 O ATOM 917 CB LEU A 60 5.721 -8.264 -6.120 1.00 0.00 C ATOM 918 CG LEU A 60 5.633 -7.232 -4.995 1.00 0.00 C ATOM 919 CD1 LEU A 60 4.808 -7.772 -3.838 1.00 0.00 C ATOM 920 CD2 LEU A 60 7.025 -6.838 -4.523 1.00 0.00 C ATOM 0 H LEU A 60 5.298 -9.246 -8.860 1.00 0.00 H new ATOM 0 HA LEU A 60 3.643 -8.220 -6.674 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.719 -9.259 -5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.680 -8.142 -6.624 1.00 0.00 H new ATOM 0 HG LEU A 60 5.137 -6.342 -5.382 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.757 -7.024 -3.047 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.801 -8.002 -4.186 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.274 -8.678 -3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.943 -6.103 -3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.547 -7.721 -4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.583 -6.408 -5.355 1.00 0.00 H new ATOM 932 N VAL A 61 3.700 -6.067 -7.865 1.00 0.00 N ATOM 933 CA VAL A 61 3.683 -4.794 -8.575 1.00 0.00 C ATOM 934 C VAL A 61 3.205 -3.665 -7.668 1.00 0.00 C ATOM 935 O VAL A 61 2.024 -3.584 -7.331 1.00 0.00 O ATOM 936 CB VAL A 61 2.776 -4.857 -9.819 1.00 0.00 C ATOM 937 CG1 VAL A 61 2.833 -3.546 -10.589 1.00 0.00 C ATOM 938 CG2 VAL A 61 3.173 -6.025 -10.709 1.00 0.00 C ATOM 0 H VAL A 61 2.874 -6.242 -7.293 1.00 0.00 H new ATOM 0 HA VAL A 61 4.707 -4.594 -8.891 1.00 0.00 H new ATOM 0 HB VAL A 61 1.749 -5.013 -9.490 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.186 -3.610 -11.464 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.496 -2.732 -9.947 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.858 -3.356 -10.908 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.522 -6.054 -11.583 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.207 -5.902 -11.031 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.075 -6.957 -10.152 1.00 0.00 H new ATOM 948 N ILE A 62 4.131 -2.796 -7.277 1.00 0.00 N ATOM 949 CA ILE A 62 3.804 -1.671 -6.411 1.00 0.00 C ATOM 950 C ILE A 62 3.095 -0.566 -7.187 1.00 0.00 C ATOM 951 O ILE A 62 3.712 0.141 -7.983 1.00 0.00 O ATOM 952 CB ILE A 62 5.064 -1.088 -5.746 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.560 -2.018 -4.637 1.00 0.00 C ATOM 954 CG2 ILE A 62 4.777 0.300 -5.191 1.00 0.00 C ATOM 955 CD1 ILE A 62 6.926 -1.649 -4.104 1.00 0.00 C ATOM 0 H ILE A 62 5.113 -2.850 -7.546 1.00 0.00 H new ATOM 0 HA ILE A 62 3.138 -2.053 -5.637 1.00 0.00 H new ATOM 0 HB ILE A 62 5.847 -1.002 -6.500 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.843 -2.005 -3.816 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.591 -3.039 -5.017 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.678 0.699 -4.724 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.467 0.959 -6.002 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.981 0.238 -4.449 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.213 -2.351 -3.321 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.655 -1.690 -4.913 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.896 -0.640 -3.693 1.00 0.00 H new ATOM 967 N ALA A 63 1.796 -0.423 -6.948 1.00 0.00 N ATOM 968 CA ALA A 63 1.003 0.598 -7.622 1.00 0.00 C ATOM 969 C ALA A 63 0.478 1.630 -6.630 1.00 0.00 C ATOM 970 O ALA A 63 0.614 1.465 -5.417 1.00 0.00 O ATOM 971 CB ALA A 63 -0.150 -0.043 -8.379 1.00 0.00 C ATOM 0 H ALA A 63 1.270 -1.001 -6.293 1.00 0.00 H new ATOM 0 HA ALA A 63 1.649 1.113 -8.333 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.733 0.731 -8.877 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.244 -0.736 -9.123 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.788 -0.585 -7.680 1.00 0.00 H new ATOM 977 N LYS A 64 -0.121 2.695 -7.152 1.00 0.00 N ATOM 978 CA LYS A 64 -0.668 3.754 -6.312 1.00 0.00 C ATOM 979 C LYS A 64 -1.985 4.274 -6.880 1.00 0.00 C ATOM 980 O LYS A 64 -2.209 4.232 -8.089 1.00 0.00 O ATOM 981 CB LYS A 64 0.335 4.903 -6.188 1.00 0.00 C ATOM 982 CG LYS A 64 0.636 5.593 -7.507 1.00 0.00 C ATOM 983 CD LYS A 64 1.596 6.756 -7.322 1.00 0.00 C ATOM 984 CE LYS A 64 2.318 7.095 -8.617 1.00 0.00 C ATOM 985 NZ LYS A 64 3.233 8.259 -8.454 1.00 0.00 N ATOM 0 H LYS A 64 -0.240 2.848 -8.153 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.859 3.337 -5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.053 5.638 -5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.265 4.519 -5.768 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.065 4.874 -8.205 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.292 5.953 -7.950 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.047 7.630 -6.971 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.326 6.507 -6.552 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.889 6.229 -8.952 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.586 7.315 -9.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.706 8.458 -9.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.685 9.092 -8.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.947 8.040 -7.731 1.00 0.00 H new ATOM 999 N MET A 65 -2.851 4.764 -5.999 1.00 0.00 N ATOM 1000 CA MET A 65 -4.144 5.294 -6.414 1.00 0.00 C ATOM 1001 C MET A 65 -4.491 6.557 -5.632 1.00 0.00 C ATOM 1002 O MET A 65 -3.972 6.783 -4.539 1.00 0.00 O ATOM 1003 CB MET A 65 -5.238 4.243 -6.218 1.00 0.00 C ATOM 1004 CG MET A 65 -6.638 4.760 -6.506 1.00 0.00 C ATOM 1005 SD MET A 65 -7.799 3.439 -6.902 1.00 0.00 S ATOM 1006 CE MET A 65 -8.988 3.625 -5.576 1.00 0.00 C ATOM 0 H MET A 65 -2.681 4.805 -4.994 1.00 0.00 H new ATOM 0 HA MET A 65 -4.080 5.549 -7.472 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.033 3.392 -6.868 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.199 3.877 -5.192 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.003 5.311 -5.639 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.597 5.464 -7.337 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.880 2.800 -4.872 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.812 4.568 -5.059 1.00 0.00 H new ATOM 0 HE3 MET A 65 -9.997 3.620 -5.989 1.00 0.00 H new ATOM 1016 N ASP A 66 -5.369 7.377 -6.199 1.00 0.00 N ATOM 1017 CA ASP A 66 -5.785 8.617 -5.553 1.00 0.00 C ATOM 1018 C ASP A 66 -7.129 8.441 -4.854 1.00 0.00 C ATOM 1019 O ASP A 66 -8.181 8.716 -5.431 1.00 0.00 O ATOM 1020 CB ASP A 66 -5.874 9.746 -6.581 1.00 0.00 C ATOM 1021 CG ASP A 66 -4.705 9.744 -7.546 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -4.380 8.664 -8.082 1.00 0.00 O ATOM 1023 OD2 ASP A 66 -4.114 10.823 -7.765 1.00 0.00 O ATOM 0 H ASP A 66 -5.806 7.206 -7.104 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.038 8.877 -4.803 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.804 9.651 -7.141 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.911 10.704 -6.062 1.00 0.00 H new ATOM 1028 N ALA A 67 -7.087 7.980 -3.609 1.00 0.00 N ATOM 1029 CA ALA A 67 -8.302 7.769 -2.831 1.00 0.00 C ATOM 1030 C ALA A 67 -9.091 9.065 -2.683 1.00 0.00 C ATOM 1031 O ALA A 67 -10.280 9.047 -2.361 1.00 0.00 O ATOM 1032 CB ALA A 67 -7.959 7.198 -1.462 1.00 0.00 C ATOM 0 H ALA A 67 -6.225 7.745 -3.117 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.927 7.053 -3.365 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.875 7.045 -0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.444 6.245 -1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.312 7.894 -0.929 1.00 0.00 H new ATOM 1038 N THR A 68 -8.423 10.190 -2.919 1.00 0.00 N ATOM 1039 CA THR A 68 -9.062 11.495 -2.810 1.00 0.00 C ATOM 1040 C THR A 68 -10.056 11.717 -3.944 1.00 0.00 C ATOM 1041 O THR A 68 -11.001 12.494 -3.810 1.00 0.00 O ATOM 1042 CB THR A 68 -8.023 12.632 -2.823 1.00 0.00 C ATOM 1043 OG1 THR A 68 -7.509 12.810 -4.148 1.00 0.00 O ATOM 1044 CG2 THR A 68 -6.880 12.331 -1.866 1.00 0.00 C ATOM 0 H THR A 68 -7.439 10.223 -3.187 1.00 0.00 H new ATOM 0 HA THR A 68 -9.593 11.509 -1.858 1.00 0.00 H new ATOM 0 HB THR A 68 -8.515 13.549 -2.498 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.975 13.631 -4.184 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.159 13.148 -1.892 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.271 12.225 -0.854 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.390 11.404 -2.165 1.00 0.00 H new ATOM 1052 N ALA A 69 -9.837 11.029 -5.059 1.00 0.00 N ATOM 1053 CA ALA A 69 -10.716 11.149 -6.216 1.00 0.00 C ATOM 1054 C ALA A 69 -11.466 9.847 -6.474 1.00 0.00 C ATOM 1055 O ALA A 69 -12.676 9.849 -6.694 1.00 0.00 O ATOM 1056 CB ALA A 69 -9.917 11.553 -7.446 1.00 0.00 C ATOM 0 H ALA A 69 -9.058 10.382 -5.186 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.452 11.925 -6.003 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.586 11.639 -8.302 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.433 12.513 -7.266 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.159 10.797 -7.652 1.00 0.00 H new ATOM 1062 N ASN A 70 -10.738 8.735 -6.446 1.00 0.00 N ATOM 1063 CA ASN A 70 -11.335 7.424 -6.678 1.00 0.00 C ATOM 1064 C ASN A 70 -11.956 6.875 -5.397 1.00 0.00 C ATOM 1065 O ASN A 70 -11.307 6.827 -4.352 1.00 0.00 O ATOM 1066 CB ASN A 70 -10.283 6.448 -7.207 1.00 0.00 C ATOM 1067 CG ASN A 70 -9.586 6.967 -8.450 1.00 0.00 C ATOM 1068 OD1 ASN A 70 -10.161 6.979 -9.539 1.00 0.00 O ATOM 1069 ND2 ASN A 70 -8.340 7.400 -8.293 1.00 0.00 N ATOM 0 H ASN A 70 -9.734 8.715 -6.265 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.123 7.538 -7.423 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.542 6.260 -6.430 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.758 5.493 -7.432 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.821 7.761 -9.093 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.902 7.372 -7.372 1.00 0.00 H new ATOM 1076 N ASP A 71 -13.215 6.461 -5.487 1.00 0.00 N ATOM 1077 CA ASP A 71 -13.923 5.913 -4.336 1.00 0.00 C ATOM 1078 C ASP A 71 -13.658 4.417 -4.197 1.00 0.00 C ATOM 1079 O ASP A 71 -14.092 3.620 -5.030 1.00 0.00 O ATOM 1080 CB ASP A 71 -15.426 6.167 -4.467 1.00 0.00 C ATOM 1081 CG ASP A 71 -15.736 7.576 -4.934 1.00 0.00 C ATOM 1082 OD1 ASP A 71 -15.770 8.488 -4.082 1.00 0.00 O ATOM 1083 OD2 ASP A 71 -15.945 7.766 -6.150 1.00 0.00 O ATOM 0 H ASP A 71 -13.766 6.494 -6.345 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.554 6.414 -3.441 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.853 5.452 -5.171 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.906 5.992 -3.504 1.00 0.00 H new ATOM 1088 N ILE A 72 -12.944 4.044 -3.141 1.00 0.00 N ATOM 1089 CA ILE A 72 -12.622 2.644 -2.893 1.00 0.00 C ATOM 1090 C ILE A 72 -13.887 1.815 -2.698 1.00 0.00 C ATOM 1091 O ILE A 72 -14.475 1.802 -1.616 1.00 0.00 O ATOM 1092 CB ILE A 72 -11.721 2.484 -1.654 1.00 0.00 C ATOM 1093 CG1 ILE A 72 -10.497 3.396 -1.766 1.00 0.00 C ATOM 1094 CG2 ILE A 72 -11.294 1.033 -1.493 1.00 0.00 C ATOM 1095 CD1 ILE A 72 -9.888 3.756 -0.429 1.00 0.00 C ATOM 0 H ILE A 72 -12.577 4.691 -2.443 1.00 0.00 H new ATOM 0 HA ILE A 72 -12.086 2.284 -3.771 1.00 0.00 H new ATOM 0 HB ILE A 72 -12.289 2.775 -0.770 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.742 2.904 -2.379 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.782 4.311 -2.285 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -10.658 0.936 -0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -12.177 0.405 -1.373 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -10.741 0.716 -2.377 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -9.025 4.404 -0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.628 4.276 0.179 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.572 2.847 0.083 1.00 0.00 H new ATOM 1107 N THR A 73 -14.300 1.120 -3.754 1.00 0.00 N ATOM 1108 CA THR A 73 -15.495 0.287 -3.699 1.00 0.00 C ATOM 1109 C THR A 73 -15.433 -0.688 -2.529 1.00 0.00 C ATOM 1110 O THR A 73 -16.432 -0.920 -1.849 1.00 0.00 O ATOM 1111 CB THR A 73 -15.685 -0.509 -5.005 1.00 0.00 C ATOM 1112 OG1 THR A 73 -14.504 -1.266 -5.293 1.00 0.00 O ATOM 1113 CG2 THR A 73 -15.993 0.424 -6.167 1.00 0.00 C ATOM 0 H THR A 73 -13.825 1.118 -4.657 1.00 0.00 H new ATOM 0 HA THR A 73 -16.342 0.959 -3.564 1.00 0.00 H new ATOM 0 HB THR A 73 -16.527 -1.188 -4.872 1.00 0.00 H new ATOM 0 HG1 THR A 73 -14.624 -1.752 -6.135 1.00 0.00 H new ATOM 0 HG21 THR A 73 -16.123 -0.160 -7.078 1.00 0.00 H new ATOM 0 HG22 THR A 73 -16.908 0.977 -5.957 1.00 0.00 H new ATOM 0 HG23 THR A 73 -15.168 1.124 -6.300 1.00 0.00 H new ATOM 1121 N ASN A 74 -14.253 -1.254 -2.297 1.00 0.00 N ATOM 1122 CA ASN A 74 -14.061 -2.203 -1.207 1.00 0.00 C ATOM 1123 C ASN A 74 -14.564 -1.626 0.112 1.00 0.00 C ATOM 1124 O ASN A 74 -15.114 -0.525 0.150 1.00 0.00 O ATOM 1125 CB ASN A 74 -12.583 -2.577 -1.083 1.00 0.00 C ATOM 1126 CG ASN A 74 -12.160 -3.612 -2.108 1.00 0.00 C ATOM 1127 OD1 ASN A 74 -12.347 -3.424 -3.310 1.00 0.00 O ATOM 1128 ND2 ASN A 74 -11.587 -4.713 -1.635 1.00 0.00 N ATOM 0 H ASN A 74 -13.415 -1.072 -2.850 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.638 -3.100 -1.434 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -11.973 -1.681 -1.202 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.391 -2.962 -0.081 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.282 -5.445 -2.276 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -11.452 -4.826 -0.630 1.00 0.00 H new ATOM 1135 N ASP A 75 -14.370 -2.375 1.192 1.00 0.00 N ATOM 1136 CA ASP A 75 -14.802 -1.938 2.514 1.00 0.00 C ATOM 1137 C ASP A 75 -13.691 -2.134 3.541 1.00 0.00 C ATOM 1138 O ASP A 75 -13.552 -1.346 4.476 1.00 0.00 O ATOM 1139 CB ASP A 75 -16.053 -2.704 2.945 1.00 0.00 C ATOM 1140 CG ASP A 75 -17.264 -2.357 2.102 1.00 0.00 C ATOM 1141 OD1 ASP A 75 -17.458 -2.998 1.048 1.00 0.00 O ATOM 1142 OD2 ASP A 75 -18.020 -1.444 2.498 1.00 0.00 O ATOM 0 H ASP A 75 -13.916 -3.288 1.178 1.00 0.00 H new ATOM 0 HA ASP A 75 -15.038 -0.875 2.459 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -15.861 -3.775 2.877 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -16.267 -2.485 3.991 1.00 0.00 H new ATOM 1147 N GLN A 76 -12.904 -3.189 3.360 1.00 0.00 N ATOM 1148 CA GLN A 76 -11.807 -3.489 4.272 1.00 0.00 C ATOM 1149 C GLN A 76 -10.731 -2.410 4.202 1.00 0.00 C ATOM 1150 O GLN A 76 -9.961 -2.226 5.145 1.00 0.00 O ATOM 1151 CB GLN A 76 -11.200 -4.854 3.942 1.00 0.00 C ATOM 1152 CG GLN A 76 -10.790 -5.001 2.485 1.00 0.00 C ATOM 1153 CD GLN A 76 -10.925 -6.425 1.982 1.00 0.00 C ATOM 1154 OE1 GLN A 76 -10.008 -6.967 1.364 1.00 0.00 O ATOM 1155 NE2 GLN A 76 -12.072 -7.040 2.245 1.00 0.00 N ATOM 0 H GLN A 76 -13.005 -3.850 2.590 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.207 -3.513 5.286 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.327 -5.017 4.575 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.922 -5.633 4.188 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.404 -4.343 1.870 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.757 -4.675 2.367 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -12.805 -6.553 2.760 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -12.220 -7.999 1.932 1.00 0.00 H new ATOM 1164 N TYR A 77 -10.683 -1.701 3.080 1.00 0.00 N ATOM 1165 CA TYR A 77 -9.699 -0.643 2.886 1.00 0.00 C ATOM 1166 C TYR A 77 -10.280 0.717 3.263 1.00 0.00 C ATOM 1167 O TYR A 77 -11.231 1.193 2.643 1.00 0.00 O ATOM 1168 CB TYR A 77 -9.222 -0.621 1.433 1.00 0.00 C ATOM 1169 CG TYR A 77 -8.541 -1.899 1.000 1.00 0.00 C ATOM 1170 CD1 TYR A 77 -9.276 -3.051 0.749 1.00 0.00 C ATOM 1171 CD2 TYR A 77 -7.161 -1.955 0.842 1.00 0.00 C ATOM 1172 CE1 TYR A 77 -8.657 -4.221 0.354 1.00 0.00 C ATOM 1173 CE2 TYR A 77 -6.534 -3.120 0.445 1.00 0.00 C ATOM 1174 CZ TYR A 77 -7.287 -4.251 0.203 1.00 0.00 C ATOM 1175 OH TYR A 77 -6.667 -5.414 -0.192 1.00 0.00 O ATOM 0 H TYR A 77 -11.314 -1.840 2.291 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.849 -0.848 3.537 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.076 -0.436 0.782 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.532 0.212 1.298 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.350 -3.031 0.865 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.569 -1.072 1.033 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.243 -5.108 0.164 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.461 -3.146 0.325 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.335 -6.036 -0.548 1.00 0.00 H new ATOM 1185 N LYS A 78 -9.701 1.338 4.285 1.00 0.00 N ATOM 1186 CA LYS A 78 -10.157 2.644 4.746 1.00 0.00 C ATOM 1187 C LYS A 78 -9.003 3.640 4.786 1.00 0.00 C ATOM 1188 O LYS A 78 -7.897 3.308 5.211 1.00 0.00 O ATOM 1189 CB LYS A 78 -10.791 2.524 6.133 1.00 0.00 C ATOM 1190 CG LYS A 78 -12.282 2.239 6.099 1.00 0.00 C ATOM 1191 CD LYS A 78 -13.095 3.522 6.060 1.00 0.00 C ATOM 1192 CE LYS A 78 -13.165 4.179 7.431 1.00 0.00 C ATOM 1193 NZ LYS A 78 -14.263 5.181 7.510 1.00 0.00 N ATOM 0 H LYS A 78 -8.914 0.957 4.810 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.904 3.010 4.042 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.290 1.728 6.684 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.619 3.449 6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.517 1.632 5.225 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.562 1.656 6.977 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.650 4.215 5.346 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -14.103 3.305 5.707 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.316 3.414 8.193 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.214 4.664 7.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.278 5.606 8.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -14.106 5.925 6.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -15.174 4.713 7.326 1.00 0.00 H new ATOM 1207 N VAL A 79 -9.269 4.865 4.341 1.00 0.00 N ATOM 1208 CA VAL A 79 -8.254 5.911 4.329 1.00 0.00 C ATOM 1209 C VAL A 79 -8.552 6.979 5.376 1.00 0.00 C ATOM 1210 O VAL A 79 -9.424 7.824 5.182 1.00 0.00 O ATOM 1211 CB VAL A 79 -8.152 6.579 2.945 1.00 0.00 C ATOM 1212 CG1 VAL A 79 -7.070 7.647 2.945 1.00 0.00 C ATOM 1213 CG2 VAL A 79 -7.884 5.537 1.870 1.00 0.00 C ATOM 0 H VAL A 79 -10.179 5.156 3.984 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.304 5.432 4.564 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.104 7.061 2.723 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.013 8.107 1.959 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.310 8.408 3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.110 7.192 3.189 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.815 6.026 0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.947 5.024 2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.698 4.813 1.854 1.00 0.00 H new ATOM 1223 N GLU A 80 -7.821 6.933 6.485 1.00 0.00 N ATOM 1224 CA GLU A 80 -8.008 7.897 7.563 1.00 0.00 C ATOM 1225 C GLU A 80 -6.983 9.024 7.469 1.00 0.00 C ATOM 1226 O GLU A 80 -7.236 10.145 7.906 1.00 0.00 O ATOM 1227 CB GLU A 80 -7.898 7.204 8.922 1.00 0.00 C ATOM 1228 CG GLU A 80 -8.905 6.083 9.118 1.00 0.00 C ATOM 1229 CD GLU A 80 -8.855 5.491 10.513 1.00 0.00 C ATOM 1230 OE1 GLU A 80 -8.840 6.270 11.489 1.00 0.00 O ATOM 1231 OE2 GLU A 80 -8.833 4.248 10.629 1.00 0.00 O ATOM 0 H GLU A 80 -7.094 6.239 6.661 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.005 8.327 7.463 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.892 6.800 9.034 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.034 7.945 9.710 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.908 6.463 8.924 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.715 5.297 8.387 1.00 0.00 H new ATOM 1238 N GLY A 81 -5.824 8.715 6.896 1.00 0.00 N ATOM 1239 CA GLY A 81 -4.777 9.711 6.756 1.00 0.00 C ATOM 1240 C GLY A 81 -3.738 9.318 5.724 1.00 0.00 C ATOM 1241 O GLY A 81 -3.319 8.162 5.663 1.00 0.00 O ATOM 0 H GLY A 81 -5.591 7.793 6.526 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.222 10.665 6.474 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.290 9.860 7.720 1.00 0.00 H new ATOM 1245 N PHE A 82 -3.323 10.282 4.909 1.00 0.00 N ATOM 1246 CA PHE A 82 -2.328 10.031 3.872 1.00 0.00 C ATOM 1247 C PHE A 82 -0.938 10.451 4.340 1.00 0.00 C ATOM 1248 O PHE A 82 -0.777 11.359 5.155 1.00 0.00 O ATOM 1249 CB PHE A 82 -2.696 10.781 2.590 1.00 0.00 C ATOM 1250 CG PHE A 82 -4.156 10.698 2.245 1.00 0.00 C ATOM 1251 CD1 PHE A 82 -5.089 11.454 2.937 1.00 0.00 C ATOM 1252 CD2 PHE A 82 -4.594 9.865 1.229 1.00 0.00 C ATOM 1253 CE1 PHE A 82 -6.432 11.380 2.621 1.00 0.00 C ATOM 1254 CE2 PHE A 82 -5.937 9.787 0.909 1.00 0.00 C ATOM 1255 CZ PHE A 82 -6.857 10.545 1.607 1.00 0.00 C ATOM 0 H PHE A 82 -3.660 11.244 4.946 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.315 8.961 3.667 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.415 11.829 2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.112 10.378 1.763 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.763 12.108 3.732 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.879 9.270 0.681 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.149 11.975 3.167 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -6.266 9.134 0.114 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.907 10.485 1.360 1.00 0.00 H new ATOM 1265 N PRO A 83 0.093 9.774 3.811 1.00 0.00 N ATOM 1266 CA PRO A 83 -0.086 8.691 2.839 1.00 0.00 C ATOM 1267 C PRO A 83 -0.708 7.448 3.465 1.00 0.00 C ATOM 1268 O PRO A 83 -0.802 7.336 4.688 1.00 0.00 O ATOM 1269 CB PRO A 83 1.341 8.397 2.370 1.00 0.00 C ATOM 1270 CG PRO A 83 2.209 8.837 3.497 1.00 0.00 C ATOM 1271 CD PRO A 83 1.512 10.014 4.122 1.00 0.00 C ATOM 0 HA PRO A 83 -0.764 8.973 2.034 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.477 7.337 2.156 1.00 0.00 H new ATOM 0 HB3 PRO A 83 1.576 8.939 1.454 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.345 8.034 4.222 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.201 9.115 3.140 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.686 10.060 5.197 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.861 10.957 3.702 1.00 0.00 H new ATOM 1279 N THR A 84 -1.133 6.514 2.619 1.00 0.00 N ATOM 1280 CA THR A 84 -1.747 5.279 3.090 1.00 0.00 C ATOM 1281 C THR A 84 -1.378 4.105 2.191 1.00 0.00 C ATOM 1282 O THR A 84 -1.837 4.014 1.052 1.00 0.00 O ATOM 1283 CB THR A 84 -3.281 5.402 3.150 1.00 0.00 C ATOM 1284 OG1 THR A 84 -3.650 6.630 3.787 1.00 0.00 O ATOM 1285 CG2 THR A 84 -3.889 4.230 3.906 1.00 0.00 C ATOM 0 H THR A 84 -1.063 6.590 1.604 1.00 0.00 H new ATOM 0 HA THR A 84 -1.365 5.099 4.095 1.00 0.00 H new ATOM 0 HB THR A 84 -3.664 5.394 2.129 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.211 6.690 4.661 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.973 4.339 3.935 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.631 3.299 3.402 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.499 4.212 4.924 1.00 0.00 H new ATOM 1293 N ILE A 85 -0.547 3.207 2.710 1.00 0.00 N ATOM 1294 CA ILE A 85 -0.117 2.037 1.954 1.00 0.00 C ATOM 1295 C ILE A 85 -0.900 0.796 2.370 1.00 0.00 C ATOM 1296 O ILE A 85 -1.219 0.616 3.546 1.00 0.00 O ATOM 1297 CB ILE A 85 1.387 1.767 2.141 1.00 0.00 C ATOM 1298 CG1 ILE A 85 2.205 2.983 1.699 1.00 0.00 C ATOM 1299 CG2 ILE A 85 1.804 0.530 1.360 1.00 0.00 C ATOM 1300 CD1 ILE A 85 3.535 3.107 2.408 1.00 0.00 C ATOM 0 H ILE A 85 -0.158 3.267 3.651 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.311 2.252 0.903 1.00 0.00 H new ATOM 0 HB ILE A 85 1.580 1.588 3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.379 2.922 0.625 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.622 3.887 1.877 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.870 0.352 1.502 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.241 -0.333 1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.600 0.683 0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.060 3.991 2.045 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.368 3.200 3.481 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.137 2.220 2.210 1.00 0.00 H new ATOM 1312 N TYR A 86 -1.206 -0.056 1.399 1.00 0.00 N ATOM 1313 CA TYR A 86 -1.953 -1.280 1.663 1.00 0.00 C ATOM 1314 C TYR A 86 -1.462 -2.420 0.776 1.00 0.00 C ATOM 1315 O TYR A 86 -1.315 -2.261 -0.436 1.00 0.00 O ATOM 1316 CB TYR A 86 -3.448 -1.050 1.436 1.00 0.00 C ATOM 1317 CG TYR A 86 -4.190 -0.620 2.681 1.00 0.00 C ATOM 1318 CD1 TYR A 86 -4.559 -1.546 3.649 1.00 0.00 C ATOM 1319 CD2 TYR A 86 -4.523 0.713 2.889 1.00 0.00 C ATOM 1320 CE1 TYR A 86 -5.238 -1.157 4.787 1.00 0.00 C ATOM 1321 CE2 TYR A 86 -5.201 1.111 4.025 1.00 0.00 C ATOM 1322 CZ TYR A 86 -5.556 0.172 4.971 1.00 0.00 C ATOM 1323 OH TYR A 86 -6.232 0.564 6.104 1.00 0.00 O ATOM 0 H TYR A 86 -0.948 0.078 0.421 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.789 -1.557 2.704 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -3.577 -0.290 0.665 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -3.895 -1.969 1.056 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -4.311 -2.588 3.509 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.247 1.451 2.150 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.518 -1.890 5.529 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.452 2.151 4.172 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.745 1.377 5.914 1.00 0.00 H new ATOM 1333 N PHE A 87 -1.210 -3.572 1.389 1.00 0.00 N ATOM 1334 CA PHE A 87 -0.735 -4.740 0.657 1.00 0.00 C ATOM 1335 C PHE A 87 -1.863 -5.746 0.446 1.00 0.00 C ATOM 1336 O PHE A 87 -2.420 -6.280 1.405 1.00 0.00 O ATOM 1337 CB PHE A 87 0.421 -5.404 1.408 1.00 0.00 C ATOM 1338 CG PHE A 87 1.145 -6.441 0.598 1.00 0.00 C ATOM 1339 CD1 PHE A 87 0.672 -7.741 0.530 1.00 0.00 C ATOM 1340 CD2 PHE A 87 2.300 -6.115 -0.096 1.00 0.00 C ATOM 1341 CE1 PHE A 87 1.336 -8.698 -0.215 1.00 0.00 C ATOM 1342 CE2 PHE A 87 2.967 -7.067 -0.843 1.00 0.00 C ATOM 1343 CZ PHE A 87 2.486 -8.361 -0.901 1.00 0.00 C ATOM 0 H PHE A 87 -1.327 -3.721 2.391 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.382 -4.407 -0.319 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.130 -4.637 1.719 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.035 -5.868 2.316 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.226 -8.010 1.065 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.683 -5.106 -0.052 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.956 -9.708 -0.260 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.864 -6.800 -1.381 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.008 -9.107 -1.482 1.00 0.00 H new ATOM 1353 N ALA A 88 -2.195 -5.998 -0.816 1.00 0.00 N ATOM 1354 CA ALA A 88 -3.255 -6.940 -1.153 1.00 0.00 C ATOM 1355 C ALA A 88 -2.678 -8.261 -1.649 1.00 0.00 C ATOM 1356 O ALA A 88 -2.376 -8.430 -2.830 1.00 0.00 O ATOM 1357 CB ALA A 88 -4.181 -6.339 -2.201 1.00 0.00 C ATOM 0 H ALA A 88 -1.745 -5.563 -1.622 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.830 -7.142 -0.249 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.968 -7.053 -2.444 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.628 -5.425 -1.810 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.611 -6.108 -3.101 1.00 0.00 H new ATOM 1363 N PRO A 89 -2.521 -9.222 -0.726 1.00 0.00 N ATOM 1364 CA PRO A 89 -1.978 -10.546 -1.047 1.00 0.00 C ATOM 1365 C PRO A 89 -2.939 -11.377 -1.890 1.00 0.00 C ATOM 1366 O PRO A 89 -3.963 -11.851 -1.397 1.00 0.00 O ATOM 1367 CB PRO A 89 -1.779 -11.190 0.328 1.00 0.00 C ATOM 1368 CG PRO A 89 -2.758 -10.500 1.215 1.00 0.00 C ATOM 1369 CD PRO A 89 -2.860 -9.090 0.701 1.00 0.00 C ATOM 0 HA PRO A 89 -1.065 -10.480 -1.638 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.965 -12.263 0.293 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.758 -11.055 0.685 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.728 -10.997 1.187 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -2.423 -10.514 2.252 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.862 -8.683 0.840 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.170 -8.423 1.218 1.00 0.00 H new ATOM 1377 N SER A 90 -2.602 -11.551 -3.164 1.00 0.00 N ATOM 1378 CA SER A 90 -3.437 -12.323 -4.077 1.00 0.00 C ATOM 1379 C SER A 90 -3.936 -13.600 -3.408 1.00 0.00 C ATOM 1380 O SER A 90 -3.178 -14.548 -3.211 1.00 0.00 O ATOM 1381 CB SER A 90 -2.656 -12.670 -5.346 1.00 0.00 C ATOM 1382 OG SER A 90 -1.639 -13.619 -5.076 1.00 0.00 O ATOM 0 H SER A 90 -1.757 -11.168 -3.587 1.00 0.00 H new ATOM 0 HA SER A 90 -4.300 -11.713 -4.345 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.337 -13.067 -6.099 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.212 -11.766 -5.762 1.00 0.00 H new ATOM 0 HG SER A 90 -1.786 -14.013 -4.191 1.00 0.00 H new ATOM 1388 N GLY A 91 -5.220 -13.616 -3.062 1.00 0.00 N ATOM 1389 CA GLY A 91 -5.800 -14.781 -2.419 1.00 0.00 C ATOM 1390 C GLY A 91 -6.377 -14.463 -1.054 1.00 0.00 C ATOM 1391 O GLY A 91 -7.468 -14.921 -0.712 1.00 0.00 O ATOM 0 H GLY A 91 -5.868 -12.844 -3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.585 -15.190 -3.055 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.037 -15.553 -2.317 1.00 0.00 H new ATOM 1395 N ASP A 92 -5.645 -13.677 -0.272 1.00 0.00 N ATOM 1396 CA ASP A 92 -6.091 -13.298 1.063 1.00 0.00 C ATOM 1397 C ASP A 92 -6.282 -11.788 1.165 1.00 0.00 C ATOM 1398 O ASP A 92 -6.003 -11.184 2.200 1.00 0.00 O ATOM 1399 CB ASP A 92 -5.082 -13.768 2.113 1.00 0.00 C ATOM 1400 CG ASP A 92 -4.918 -15.275 2.124 1.00 0.00 C ATOM 1401 OD1 ASP A 92 -5.945 -15.984 2.165 1.00 0.00 O ATOM 1402 OD2 ASP A 92 -3.761 -15.747 2.092 1.00 0.00 O ATOM 0 H ASP A 92 -4.740 -13.290 -0.540 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.050 -13.781 1.249 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.116 -13.302 1.919 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.405 -13.433 3.099 1.00 0.00 H new ATOM 1407 N LYS A 93 -6.759 -11.184 0.082 1.00 0.00 N ATOM 1408 CA LYS A 93 -6.988 -9.744 0.047 1.00 0.00 C ATOM 1409 C LYS A 93 -8.021 -9.332 1.092 1.00 0.00 C ATOM 1410 O LYS A 93 -7.942 -8.244 1.661 1.00 0.00 O ATOM 1411 CB LYS A 93 -7.457 -9.315 -1.345 1.00 0.00 C ATOM 1412 CG LYS A 93 -6.586 -9.847 -2.471 1.00 0.00 C ATOM 1413 CD LYS A 93 -6.569 -8.898 -3.658 1.00 0.00 C ATOM 1414 CE LYS A 93 -5.839 -9.506 -4.846 1.00 0.00 C ATOM 1415 NZ LYS A 93 -6.543 -10.708 -5.373 1.00 0.00 N ATOM 0 H LYS A 93 -6.995 -11.669 -0.784 1.00 0.00 H new ATOM 0 HA LYS A 93 -6.046 -9.246 0.276 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.481 -9.657 -1.496 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.475 -8.226 -1.394 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.569 -9.995 -2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.955 -10.822 -2.789 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.592 -8.653 -3.944 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.086 -7.964 -3.372 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.749 -8.762 -5.637 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.826 -9.779 -4.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.882 -11.510 -5.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.342 -10.943 -4.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.897 -10.511 -6.331 1.00 0.00 H new ATOM 1429 N LYS A 94 -8.987 -10.210 1.340 1.00 0.00 N ATOM 1430 CA LYS A 94 -10.034 -9.939 2.318 1.00 0.00 C ATOM 1431 C LYS A 94 -9.471 -9.198 3.526 1.00 0.00 C ATOM 1432 O LYS A 94 -10.171 -8.415 4.166 1.00 0.00 O ATOM 1433 CB LYS A 94 -10.689 -11.247 2.769 1.00 0.00 C ATOM 1434 CG LYS A 94 -11.718 -11.782 1.787 1.00 0.00 C ATOM 1435 CD LYS A 94 -11.056 -12.431 0.584 1.00 0.00 C ATOM 1436 CE LYS A 94 -11.935 -13.516 -0.018 1.00 0.00 C ATOM 1437 NZ LYS A 94 -11.680 -14.845 0.603 1.00 0.00 N ATOM 0 H LYS A 94 -9.067 -11.115 0.877 1.00 0.00 H new ATOM 0 HA LYS A 94 -10.785 -9.307 1.844 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.914 -11.999 2.917 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.169 -11.089 3.735 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -12.357 -12.509 2.288 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -12.362 -10.968 1.454 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.845 -11.672 -0.170 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.099 -12.860 0.881 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.983 -13.249 0.114 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.754 -13.576 -1.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.299 -15.557 0.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.686 -15.112 0.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.877 -14.795 1.623 1.00 0.00 H new ATOM 1451 N ASN A 95 -8.202 -9.449 3.831 1.00 0.00 N ATOM 1452 CA ASN A 95 -7.545 -8.804 4.962 1.00 0.00 C ATOM 1453 C ASN A 95 -6.417 -7.893 4.488 1.00 0.00 C ATOM 1454 O ASN A 95 -5.285 -8.326 4.273 1.00 0.00 O ATOM 1455 CB ASN A 95 -6.996 -9.856 5.927 1.00 0.00 C ATOM 1456 CG ASN A 95 -8.065 -10.822 6.399 1.00 0.00 C ATOM 1457 OD1 ASN A 95 -9.129 -10.411 6.860 1.00 0.00 O ATOM 1458 ND2 ASN A 95 -7.785 -12.116 6.285 1.00 0.00 N ATOM 0 H ASN A 95 -7.608 -10.095 3.311 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.285 -8.195 5.482 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -6.198 -10.413 5.437 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.554 -9.358 6.790 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.466 -12.814 6.586 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -6.889 -12.412 5.897 1.00 0.00 H new ATOM 1465 N PRO A 96 -6.731 -6.599 4.322 1.00 0.00 N ATOM 1466 CA PRO A 96 -5.757 -5.600 3.873 1.00 0.00 C ATOM 1467 C PRO A 96 -4.697 -5.308 4.930 1.00 0.00 C ATOM 1468 O PRO A 96 -5.019 -5.035 6.087 1.00 0.00 O ATOM 1469 CB PRO A 96 -6.615 -4.358 3.620 1.00 0.00 C ATOM 1470 CG PRO A 96 -7.804 -4.533 4.499 1.00 0.00 C ATOM 1471 CD PRO A 96 -8.060 -6.013 4.560 1.00 0.00 C ATOM 0 HA PRO A 96 -5.201 -5.937 2.998 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -6.072 -3.445 3.866 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.905 -4.284 2.572 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.617 -4.128 5.494 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.668 -4.004 4.097 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -8.463 -6.311 5.528 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -8.779 -6.328 3.804 1.00 0.00 H new ATOM 1479 N ILE A 97 -3.433 -5.366 4.526 1.00 0.00 N ATOM 1480 CA ILE A 97 -2.326 -5.107 5.438 1.00 0.00 C ATOM 1481 C ILE A 97 -1.728 -3.724 5.198 1.00 0.00 C ATOM 1482 O ILE A 97 -1.009 -3.508 4.223 1.00 0.00 O ATOM 1483 CB ILE A 97 -1.217 -6.165 5.294 1.00 0.00 C ATOM 1484 CG1 ILE A 97 -1.826 -7.568 5.231 1.00 0.00 C ATOM 1485 CG2 ILE A 97 -0.232 -6.061 6.449 1.00 0.00 C ATOM 1486 CD1 ILE A 97 -0.998 -8.550 4.433 1.00 0.00 C ATOM 0 H ILE A 97 -3.150 -5.590 3.572 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.733 -5.155 6.448 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.678 -5.981 4.365 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -1.948 -7.948 6.245 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.822 -7.504 4.792 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.546 -6.816 6.333 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.221 -5.070 6.452 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.757 -6.223 7.390 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.489 -9.523 4.431 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.897 -8.192 3.408 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.010 -8.644 4.884 1.00 0.00 H new ATOM 1498 N LYS A 98 -2.030 -2.792 6.095 1.00 0.00 N ATOM 1499 CA LYS A 98 -1.521 -1.430 5.984 1.00 0.00 C ATOM 1500 C LYS A 98 -0.140 -1.312 6.622 1.00 0.00 C ATOM 1501 O LYS A 98 0.201 -2.067 7.532 1.00 0.00 O ATOM 1502 CB LYS A 98 -2.487 -0.446 6.649 1.00 0.00 C ATOM 1503 CG LYS A 98 -2.010 0.995 6.608 1.00 0.00 C ATOM 1504 CD LYS A 98 -3.156 1.968 6.834 1.00 0.00 C ATOM 1505 CE LYS A 98 -3.336 2.284 8.311 1.00 0.00 C ATOM 1506 NZ LYS A 98 -2.530 3.465 8.728 1.00 0.00 N ATOM 0 H LYS A 98 -2.625 -2.955 6.907 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.436 -1.186 4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.457 -0.513 6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.636 -0.741 7.688 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.246 1.148 7.370 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.544 1.198 5.644 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.966 2.890 6.284 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.078 1.544 6.436 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.390 2.473 8.516 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.046 1.418 8.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.680 3.648 9.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.522 3.276 8.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.824 4.298 8.179 1.00 0.00 H new ATOM 1520 N PHE A 99 0.650 -0.359 6.139 1.00 0.00 N ATOM 1521 CA PHE A 99 1.994 -0.141 6.662 1.00 0.00 C ATOM 1522 C PHE A 99 1.991 0.943 7.736 1.00 0.00 C ATOM 1523 O PHE A 99 1.924 2.133 7.430 1.00 0.00 O ATOM 1524 CB PHE A 99 2.948 0.248 5.531 1.00 0.00 C ATOM 1525 CG PHE A 99 4.252 0.815 6.015 1.00 0.00 C ATOM 1526 CD1 PHE A 99 5.295 -0.023 6.376 1.00 0.00 C ATOM 1527 CD2 PHE A 99 4.434 2.185 6.110 1.00 0.00 C ATOM 1528 CE1 PHE A 99 6.497 0.496 6.822 1.00 0.00 C ATOM 1529 CE2 PHE A 99 5.633 2.709 6.554 1.00 0.00 C ATOM 1530 CZ PHE A 99 6.665 1.864 6.912 1.00 0.00 C ATOM 0 H PHE A 99 0.383 0.275 5.386 1.00 0.00 H new ATOM 0 HA PHE A 99 2.337 -1.073 7.112 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.148 -0.630 4.917 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.458 0.980 4.889 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.168 -1.093 6.308 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.630 2.851 5.834 1.00 0.00 H new ATOM 0 HE1 PHE A 99 7.303 -0.167 7.099 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.763 3.779 6.621 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.602 2.272 7.262 1.00 0.00 H new ATOM 1540 N GLU A 100 2.063 0.522 8.994 1.00 0.00 N ATOM 1541 CA GLU A 100 2.067 1.457 10.113 1.00 0.00 C ATOM 1542 C GLU A 100 3.462 1.573 10.721 1.00 0.00 C ATOM 1543 O GLU A 100 3.902 0.697 11.464 1.00 0.00 O ATOM 1544 CB GLU A 100 1.068 1.011 11.183 1.00 0.00 C ATOM 1545 CG GLU A 100 -0.384 1.194 10.775 1.00 0.00 C ATOM 1546 CD GLU A 100 -1.338 1.088 11.949 1.00 0.00 C ATOM 1547 OE1 GLU A 100 -1.579 -0.045 12.416 1.00 0.00 O ATOM 1548 OE2 GLU A 100 -1.842 2.137 12.400 1.00 0.00 O ATOM 0 H GLU A 100 2.119 -0.460 9.264 1.00 0.00 H new ATOM 0 HA GLU A 100 1.772 2.436 9.736 1.00 0.00 H new ATOM 0 HB2 GLU A 100 1.242 -0.040 11.415 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.253 1.574 12.098 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.504 2.168 10.301 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.646 0.442 10.030 1.00 0.00 H new ATOM 1583 N ARG A 104 8.538 6.623 7.446 1.00 0.00 N ATOM 1584 CA ARG A 104 8.041 6.099 6.179 1.00 0.00 C ATOM 1585 C ARG A 104 9.025 6.385 5.049 1.00 0.00 C ATOM 1586 O ARG A 104 8.882 7.367 4.321 1.00 0.00 O ATOM 1587 CB ARG A 104 6.678 6.711 5.850 1.00 0.00 C ATOM 1588 CG ARG A 104 6.113 6.255 4.514 1.00 0.00 C ATOM 1589 CD ARG A 104 4.651 6.647 4.365 1.00 0.00 C ATOM 1590 NE ARG A 104 3.817 6.057 5.408 1.00 0.00 N ATOM 1591 CZ ARG A 104 3.595 6.632 6.584 1.00 0.00 C ATOM 1592 NH1 ARG A 104 4.143 7.806 6.866 1.00 0.00 N ATOM 1593 NH2 ARG A 104 2.823 6.032 7.482 1.00 0.00 N ATOM 0 HA ARG A 104 7.933 5.019 6.278 1.00 0.00 H new ATOM 0 HB2 ARG A 104 5.973 6.453 6.640 1.00 0.00 H new ATOM 0 HB3 ARG A 104 6.768 7.797 5.845 1.00 0.00 H new ATOM 0 HG2 ARG A 104 6.693 6.695 3.703 1.00 0.00 H new ATOM 0 HG3 ARG A 104 6.212 5.173 4.426 1.00 0.00 H new ATOM 0 HD2 ARG A 104 4.561 7.733 4.400 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.288 6.329 3.388 1.00 0.00 H new ATOM 0 HE ARG A 104 3.381 5.154 5.223 1.00 0.00 H new ATOM 0 HH11 ARG A 104 4.737 8.270 6.179 1.00 0.00 H new ATOM 0 HH12 ARG A 104 3.971 8.245 7.770 1.00 0.00 H new ATOM 0 HH21 ARG A 104 2.400 5.129 7.269 1.00 0.00 H new ATOM 0 HH22 ARG A 104 2.653 6.474 8.385 1.00 0.00 H new ATOM 1607 N ASP A 105 10.024 5.520 4.910 1.00 0.00 N ATOM 1608 CA ASP A 105 11.033 5.679 3.868 1.00 0.00 C ATOM 1609 C ASP A 105 11.179 4.398 3.053 1.00 0.00 C ATOM 1610 O ASP A 105 10.428 3.439 3.244 1.00 0.00 O ATOM 1611 CB ASP A 105 12.379 6.061 4.486 1.00 0.00 C ATOM 1612 CG ASP A 105 13.281 6.785 3.505 1.00 0.00 C ATOM 1613 OD1 ASP A 105 12.757 7.565 2.683 1.00 0.00 O ATOM 1614 OD2 ASP A 105 14.510 6.571 3.560 1.00 0.00 O ATOM 0 H ASP A 105 10.157 4.702 5.505 1.00 0.00 H new ATOM 0 HA ASP A 105 10.708 6.478 3.201 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.209 6.696 5.356 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.881 5.161 4.841 1.00 0.00 H new ATOM 1619 N LEU A 106 12.148 4.387 2.145 1.00 0.00 N ATOM 1620 CA LEU A 106 12.392 3.224 1.300 1.00 0.00 C ATOM 1621 C LEU A 106 13.066 2.108 2.091 1.00 0.00 C ATOM 1622 O LEU A 106 12.947 0.932 1.747 1.00 0.00 O ATOM 1623 CB LEU A 106 13.260 3.612 0.102 1.00 0.00 C ATOM 1624 CG LEU A 106 13.033 2.811 -1.180 1.00 0.00 C ATOM 1625 CD1 LEU A 106 13.369 3.652 -2.402 1.00 0.00 C ATOM 1626 CD2 LEU A 106 13.860 1.534 -1.165 1.00 0.00 C ATOM 0 H LEU A 106 12.778 5.171 1.975 1.00 0.00 H new ATOM 0 HA LEU A 106 11.430 2.859 0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.090 4.666 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.307 3.510 0.389 1.00 0.00 H new ATOM 0 HG LEU A 106 11.979 2.537 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.201 3.065 -3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.733 4.537 -2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.414 3.958 -2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 106 13.686 0.977 -2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.918 1.786 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.570 0.923 -0.310 1.00 0.00 H new ATOM 1638 N GLU A 107 13.771 2.485 3.153 1.00 0.00 N ATOM 1639 CA GLU A 107 14.463 1.514 3.993 1.00 0.00 C ATOM 1640 C GLU A 107 13.480 0.785 4.905 1.00 0.00 C ATOM 1641 O GLU A 107 13.643 -0.401 5.190 1.00 0.00 O ATOM 1642 CB GLU A 107 15.536 2.208 4.834 1.00 0.00 C ATOM 1643 CG GLU A 107 16.896 2.266 4.158 1.00 0.00 C ATOM 1644 CD GLU A 107 17.564 0.908 4.075 1.00 0.00 C ATOM 1645 OE1 GLU A 107 18.101 0.446 5.104 1.00 0.00 O ATOM 1646 OE2 GLU A 107 17.551 0.306 2.981 1.00 0.00 O ATOM 0 H GLU A 107 13.878 3.454 3.452 1.00 0.00 H new ATOM 0 HA GLU A 107 14.939 0.782 3.341 1.00 0.00 H new ATOM 0 HB2 GLU A 107 15.208 3.223 5.060 1.00 0.00 H new ATOM 0 HB3 GLU A 107 15.634 1.685 5.785 1.00 0.00 H new ATOM 0 HG2 GLU A 107 16.781 2.672 3.153 1.00 0.00 H new ATOM 0 HG3 GLU A 107 17.542 2.951 4.707 1.00 0.00 H new ATOM 1653 N HIS A 108 12.458 1.505 5.359 1.00 0.00 N ATOM 1654 CA HIS A 108 11.448 0.927 6.239 1.00 0.00 C ATOM 1655 C HIS A 108 10.295 0.341 5.430 1.00 0.00 C ATOM 1656 O HIS A 108 9.612 -0.580 5.880 1.00 0.00 O ATOM 1657 CB HIS A 108 10.920 1.985 7.208 1.00 0.00 C ATOM 1658 CG HIS A 108 11.963 2.511 8.146 1.00 0.00 C ATOM 1659 ND1 HIS A 108 12.518 3.767 8.026 1.00 0.00 N ATOM 1660 CD2 HIS A 108 12.549 1.943 9.226 1.00 0.00 C ATOM 1661 CE1 HIS A 108 13.403 3.949 8.991 1.00 0.00 C ATOM 1662 NE2 HIS A 108 13.440 2.857 9.733 1.00 0.00 N ATOM 0 H HIS A 108 12.308 2.488 5.132 1.00 0.00 H new ATOM 0 HA HIS A 108 11.915 0.124 6.809 1.00 0.00 H new ATOM 0 HB2 HIS A 108 10.505 2.815 6.636 1.00 0.00 H new ATOM 0 HB3 HIS A 108 10.102 1.558 7.789 1.00 0.00 H new ATOM 0 HD2 HIS A 108 12.353 0.955 9.616 1.00 0.00 H new ATOM 0 HE1 HIS A 108 13.995 4.839 9.146 1.00 0.00 H new ATOM 0 HE2 HIS A 108 14.034 2.715 10.550 1.00 0.00 H new ATOM 1671 N LEU A 109 10.082 0.881 4.235 1.00 0.00 N ATOM 1672 CA LEU A 109 9.011 0.412 3.363 1.00 0.00 C ATOM 1673 C LEU A 109 9.339 -0.963 2.788 1.00 0.00 C ATOM 1674 O LEU A 109 8.538 -1.892 2.881 1.00 0.00 O ATOM 1675 CB LEU A 109 8.777 1.410 2.227 1.00 0.00 C ATOM 1676 CG LEU A 109 7.885 2.607 2.559 1.00 0.00 C ATOM 1677 CD1 LEU A 109 7.904 3.617 1.422 1.00 0.00 C ATOM 1678 CD2 LEU A 109 6.463 2.149 2.845 1.00 0.00 C ATOM 0 H LEU A 109 10.637 1.644 3.848 1.00 0.00 H new ATOM 0 HA LEU A 109 8.102 0.329 3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.745 1.785 1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.336 0.876 1.386 1.00 0.00 H new ATOM 0 HG LEU A 109 8.276 3.091 3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.264 4.462 1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 109 8.924 3.968 1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.538 3.145 0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.842 3.014 3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.061 1.641 1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.465 1.464 3.693 1.00 0.00 H new ATOM 1690 N SER A 110 10.523 -1.084 2.196 1.00 0.00 N ATOM 1691 CA SER A 110 10.957 -2.344 1.605 1.00 0.00 C ATOM 1692 C SER A 110 10.982 -3.454 2.651 1.00 0.00 C ATOM 1693 O SER A 110 10.907 -4.638 2.319 1.00 0.00 O ATOM 1694 CB SER A 110 12.343 -2.187 0.977 1.00 0.00 C ATOM 1695 OG SER A 110 12.427 -0.993 0.219 1.00 0.00 O ATOM 0 H SER A 110 11.199 -0.324 2.113 1.00 0.00 H new ATOM 0 HA SER A 110 10.243 -2.617 0.828 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.102 -2.179 1.760 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.555 -3.043 0.337 1.00 0.00 H new ATOM 0 HG SER A 110 12.436 -0.222 0.824 1.00 0.00 H new ATOM 1701 N LYS A 111 11.088 -3.064 3.916 1.00 0.00 N ATOM 1702 CA LYS A 111 11.123 -4.024 5.013 1.00 0.00 C ATOM 1703 C LYS A 111 9.717 -4.504 5.360 1.00 0.00 C ATOM 1704 O LYS A 111 9.546 -5.472 6.101 1.00 0.00 O ATOM 1705 CB LYS A 111 11.778 -3.397 6.246 1.00 0.00 C ATOM 1706 CG LYS A 111 13.295 -3.366 6.179 1.00 0.00 C ATOM 1707 CD LYS A 111 13.899 -2.814 7.459 1.00 0.00 C ATOM 1708 CE LYS A 111 15.261 -2.185 7.208 1.00 0.00 C ATOM 1709 NZ LYS A 111 15.639 -1.232 8.287 1.00 0.00 N ATOM 0 H LYS A 111 11.151 -2.089 4.208 1.00 0.00 H new ATOM 0 HA LYS A 111 11.713 -4.883 4.693 1.00 0.00 H new ATOM 0 HB2 LYS A 111 11.407 -2.379 6.366 1.00 0.00 H new ATOM 0 HB3 LYS A 111 11.473 -3.954 7.132 1.00 0.00 H new ATOM 0 HG2 LYS A 111 13.673 -4.373 6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.610 -2.754 5.334 1.00 0.00 H new ATOM 0 HD2 LYS A 111 13.227 -2.070 7.888 1.00 0.00 H new ATOM 0 HD3 LYS A 111 13.997 -3.615 8.191 1.00 0.00 H new ATOM 0 HE2 LYS A 111 16.015 -2.969 7.135 1.00 0.00 H new ATOM 0 HE3 LYS A 111 15.249 -1.664 6.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 16.573 -0.825 8.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 14.933 -0.470 8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 15.675 -1.734 9.197 1.00 0.00 H new ATOM 1723 N PHE A 112 8.713 -3.821 4.820 1.00 0.00 N ATOM 1724 CA PHE A 112 7.322 -4.179 5.072 1.00 0.00 C ATOM 1725 C PHE A 112 6.780 -5.074 3.961 1.00 0.00 C ATOM 1726 O PHE A 112 5.893 -5.897 4.190 1.00 0.00 O ATOM 1727 CB PHE A 112 6.463 -2.918 5.191 1.00 0.00 C ATOM 1728 CG PHE A 112 4.996 -3.172 4.993 1.00 0.00 C ATOM 1729 CD1 PHE A 112 4.473 -3.335 3.721 1.00 0.00 C ATOM 1730 CD2 PHE A 112 4.140 -3.249 6.080 1.00 0.00 C ATOM 1731 CE1 PHE A 112 3.123 -3.567 3.536 1.00 0.00 C ATOM 1732 CE2 PHE A 112 2.789 -3.481 5.902 1.00 0.00 C ATOM 1733 CZ PHE A 112 2.280 -3.642 4.628 1.00 0.00 C ATOM 0 H PHE A 112 8.837 -3.017 4.205 1.00 0.00 H new ATOM 0 HA PHE A 112 7.279 -4.730 6.011 1.00 0.00 H new ATOM 0 HB2 PHE A 112 6.617 -2.474 6.175 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.800 -2.188 4.455 1.00 0.00 H new ATOM 0 HD1 PHE A 112 5.128 -3.280 2.864 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.533 -3.126 7.078 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.727 -3.690 2.539 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.132 -3.536 6.758 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.225 -3.826 4.486 1.00 0.00 H new ATOM 1743 N ILE A 113 7.320 -4.907 2.758 1.00 0.00 N ATOM 1744 CA ILE A 113 6.892 -5.699 1.613 1.00 0.00 C ATOM 1745 C ILE A 113 7.442 -7.119 1.690 1.00 0.00 C ATOM 1746 O ILE A 113 6.685 -8.089 1.710 1.00 0.00 O ATOM 1747 CB ILE A 113 7.341 -5.058 0.286 1.00 0.00 C ATOM 1748 CG1 ILE A 113 6.681 -3.690 0.106 1.00 0.00 C ATOM 1749 CG2 ILE A 113 7.005 -5.972 -0.884 1.00 0.00 C ATOM 1750 CD1 ILE A 113 7.402 -2.796 -0.878 1.00 0.00 C ATOM 0 H ILE A 113 8.055 -4.230 2.552 1.00 0.00 H new ATOM 0 HA ILE A 113 5.803 -5.732 1.641 1.00 0.00 H new ATOM 0 HB ILE A 113 8.422 -4.918 0.315 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.654 -3.833 -0.230 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.633 -3.189 1.073 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.328 -5.506 -1.815 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.517 -6.926 -0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 113 5.929 -6.140 -0.917 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.878 -1.843 -0.955 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.421 -2.623 -0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.427 -3.277 -1.856 1.00 0.00 H new ATOM 1762 N ASP A 114 8.765 -7.234 1.735 1.00 0.00 N ATOM 1763 CA ASP A 114 9.418 -8.536 1.813 1.00 0.00 C ATOM 1764 C ASP A 114 8.638 -9.480 2.723 1.00 0.00 C ATOM 1765 O ASP A 114 8.494 -10.665 2.424 1.00 0.00 O ATOM 1766 CB ASP A 114 10.851 -8.381 2.325 1.00 0.00 C ATOM 1767 CG ASP A 114 11.816 -7.970 1.230 1.00 0.00 C ATOM 1768 OD1 ASP A 114 11.855 -8.655 0.186 1.00 0.00 O ATOM 1769 OD2 ASP A 114 12.530 -6.964 1.417 1.00 0.00 O ATOM 0 H ASP A 114 9.406 -6.441 1.719 1.00 0.00 H new ATOM 0 HA ASP A 114 9.443 -8.964 0.811 1.00 0.00 H new ATOM 0 HB2 ASP A 114 10.871 -7.637 3.121 1.00 0.00 H new ATOM 0 HB3 ASP A 114 11.182 -9.323 2.762 1.00 0.00 H new ATOM 1774 N GLU A 115 8.139 -8.947 3.833 1.00 0.00 N ATOM 1775 CA GLU A 115 7.376 -9.744 4.787 1.00 0.00 C ATOM 1776 C GLU A 115 6.123 -10.320 4.134 1.00 0.00 C ATOM 1777 O GLU A 115 5.828 -11.508 4.271 1.00 0.00 O ATOM 1778 CB GLU A 115 6.989 -8.895 6.000 1.00 0.00 C ATOM 1779 CG GLU A 115 8.019 -8.923 7.116 1.00 0.00 C ATOM 1780 CD GLU A 115 8.204 -10.307 7.705 1.00 0.00 C ATOM 1781 OE1 GLU A 115 7.466 -10.652 8.652 1.00 0.00 O ATOM 1782 OE2 GLU A 115 9.087 -11.046 7.221 1.00 0.00 O ATOM 0 H GLU A 115 8.249 -7.967 4.094 1.00 0.00 H new ATOM 0 HA GLU A 115 8.005 -10.570 5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 115 6.842 -7.864 5.679 1.00 0.00 H new ATOM 0 HB3 GLU A 115 6.034 -9.247 6.390 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.974 -8.565 6.732 1.00 0.00 H new ATOM 0 HG3 GLU A 115 7.714 -8.235 7.904 1.00 0.00 H new ATOM 1789 N HIS A 116 5.388 -9.470 3.424 1.00 0.00 N ATOM 1790 CA HIS A 116 4.166 -9.894 2.750 1.00 0.00 C ATOM 1791 C HIS A 116 4.449 -10.271 1.299 1.00 0.00 C ATOM 1792 O HIS A 116 3.529 -10.518 0.521 1.00 0.00 O ATOM 1793 CB HIS A 116 3.116 -8.784 2.805 1.00 0.00 C ATOM 1794 CG HIS A 116 2.931 -8.203 4.173 1.00 0.00 C ATOM 1795 ND1 HIS A 116 2.414 -8.744 5.302 1.00 0.00 N flip ATOM 1796 CD2 HIS A 116 3.294 -6.914 4.499 1.00 0.00 C flip ATOM 1797 CE1 HIS A 116 2.476 -7.781 6.279 1.00 0.00 C flip ATOM 1798 NE2 HIS A 116 3.011 -6.686 5.769 1.00 0.00 N flip ATOM 0 H HIS A 116 5.617 -8.484 3.301 1.00 0.00 H new ATOM 0 HA HIS A 116 3.782 -10.773 3.267 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.403 -7.989 2.117 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.162 -9.179 2.455 1.00 0.00 H new ATOM 0 HD2 HIS A 116 3.740 -6.201 3.821 1.00 0.00 H new ATOM 0 HE1 HIS A 116 2.142 -7.900 7.299 1.00 0.00 H new ATOM 0 HE2 HIS A 116 3.177 -5.813 6.270 1.00 0.00 H new