USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 505 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 131:sc= 0.0585 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot -108:sc= -1.75 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 99:sc= 0.025 USER MOD Single : A 35 THR OG1 : rot 140:sc= -0.245 USER MOD Single : A 36 ASN : amide:sc= 0.404 K(o=0.4,f=-4.7!) USER MOD Single : A 37 GLN : amide:sc= -2.17! C(o=-2.2!,f=-4!) USER MOD Single : A 41 ASN : amide:sc= -0.12 K(o=-0.12,f=-2!) USER MOD Single : A 43 TYR OH : rot 150:sc= 0 USER MOD Single : A 46 MET CE :methyl -121:sc= 0 (180deg=-0.00827) USER MOD Single : A 48 HIS : no HD1:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.0329 X(o=-0.033,f=0) USER MOD Single : A 51 SER OG : rot 45:sc= 0.842 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.0774 X(o=-0.077,f=-0.0034) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.792 -11.269 16.200 1.00 0.00 N ATOM 2 CA GLY A 1 9.013 -10.587 15.183 1.00 0.00 C ATOM 3 C GLY A 1 9.625 -10.713 13.802 1.00 0.00 C ATOM 4 O GLY A 1 10.817 -10.989 13.667 1.00 0.00 O ATOM 0 H1 GLY A 1 9.944 -10.631 17.007 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.280 -12.116 16.520 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.711 -11.550 15.803 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.003 -10.996 15.168 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.926 -9.532 15.443 1.00 0.00 H new ATOM 8 N SER A 2 8.807 -10.514 12.774 1.00 0.00 N ATOM 9 CA SER A 2 9.274 -10.612 11.396 1.00 0.00 C ATOM 10 C SER A 2 10.463 -9.686 11.157 1.00 0.00 C ATOM 11 O SER A 2 11.509 -10.113 10.670 1.00 0.00 O ATOM 12 CB SER A 2 8.142 -10.268 10.426 1.00 0.00 C ATOM 13 OG SER A 2 8.529 -10.511 9.084 1.00 0.00 O ATOM 0 H SER A 2 7.818 -10.284 12.869 1.00 0.00 H new ATOM 0 HA SER A 2 9.595 -11.639 11.220 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.260 -10.861 10.667 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.864 -9.221 10.544 1.00 0.00 H new ATOM 0 HG SER A 2 7.788 -10.285 8.484 1.00 0.00 H new ATOM 19 N SER A 3 10.293 -8.414 11.505 1.00 0.00 N ATOM 20 CA SER A 3 11.349 -7.425 11.326 1.00 0.00 C ATOM 21 C SER A 3 11.202 -6.285 12.329 1.00 0.00 C ATOM 22 O SER A 3 10.148 -6.114 12.941 1.00 0.00 O ATOM 23 CB SER A 3 11.323 -6.872 9.900 1.00 0.00 C ATOM 24 OG SER A 3 12.537 -6.212 9.586 1.00 0.00 O ATOM 0 H SER A 3 9.434 -8.045 11.912 1.00 0.00 H new ATOM 0 HA SER A 3 12.306 -7.917 11.500 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.155 -7.686 9.194 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.490 -6.178 9.791 1.00 0.00 H new ATOM 0 HG SER A 3 12.495 -5.869 8.669 1.00 0.00 H new ATOM 30 N GLY A 4 12.267 -5.506 12.491 1.00 0.00 N ATOM 31 CA GLY A 4 12.237 -4.392 13.420 1.00 0.00 C ATOM 32 C GLY A 4 12.800 -3.120 12.819 1.00 0.00 C ATOM 33 O GLY A 4 13.917 -2.714 13.142 1.00 0.00 O ATOM 0 H GLY A 4 13.150 -5.627 11.995 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.209 -4.216 13.738 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.807 -4.652 14.312 1.00 0.00 H new ATOM 37 N SER A 5 12.028 -2.489 11.940 1.00 0.00 N ATOM 38 CA SER A 5 12.459 -1.259 11.287 1.00 0.00 C ATOM 39 C SER A 5 11.363 -0.199 11.348 1.00 0.00 C ATOM 40 O SER A 5 10.277 -0.381 10.798 1.00 0.00 O ATOM 41 CB SER A 5 12.838 -1.534 9.831 1.00 0.00 C ATOM 42 OG SER A 5 13.879 -2.492 9.747 1.00 0.00 O ATOM 0 H SER A 5 11.100 -2.810 11.664 1.00 0.00 H new ATOM 0 HA SER A 5 13.334 -0.883 11.817 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.965 -1.893 9.286 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.153 -0.607 9.353 1.00 0.00 H new ATOM 0 HG SER A 5 14.102 -2.651 8.806 1.00 0.00 H new ATOM 48 N SER A 6 11.657 0.909 12.021 1.00 0.00 N ATOM 49 CA SER A 6 10.697 1.998 12.158 1.00 0.00 C ATOM 50 C SER A 6 10.425 2.655 10.808 1.00 0.00 C ATOM 51 O SER A 6 11.277 3.355 10.263 1.00 0.00 O ATOM 52 CB SER A 6 11.213 3.040 13.151 1.00 0.00 C ATOM 53 OG SER A 6 10.167 3.890 13.589 1.00 0.00 O ATOM 0 H SER A 6 12.552 1.076 12.480 1.00 0.00 H new ATOM 0 HA SER A 6 9.763 1.581 12.534 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.661 2.539 14.009 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.998 3.635 12.684 1.00 0.00 H new ATOM 0 HG SER A 6 10.523 4.546 14.224 1.00 0.00 H new ATOM 59 N GLY A 7 9.229 2.424 10.274 1.00 0.00 N ATOM 60 CA GLY A 7 8.865 3.001 8.993 1.00 0.00 C ATOM 61 C GLY A 7 7.393 2.825 8.676 1.00 0.00 C ATOM 62 O GLY A 7 6.737 1.904 9.163 1.00 0.00 O ATOM 0 H GLY A 7 8.506 1.848 10.706 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.109 4.063 8.994 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.461 2.538 8.207 1.00 0.00 H new ATOM 66 N PRO A 8 6.852 3.725 7.841 1.00 0.00 N ATOM 67 CA PRO A 8 5.442 3.687 7.442 1.00 0.00 C ATOM 68 C PRO A 8 5.130 2.507 6.528 1.00 0.00 C ATOM 69 O PRO A 8 5.640 2.424 5.410 1.00 0.00 O ATOM 70 CB PRO A 8 5.250 5.008 6.693 1.00 0.00 C ATOM 71 CG PRO A 8 6.608 5.361 6.193 1.00 0.00 C ATOM 72 CD PRO A 8 7.576 4.849 7.223 1.00 0.00 C ATOM 0 HA PRO A 8 4.779 3.566 8.299 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.542 4.898 5.872 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.857 5.783 7.351 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.796 4.906 5.221 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.709 6.439 6.065 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.512 4.523 6.769 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.827 5.616 7.955 1.00 0.00 H new ATOM 80 N CYS A 9 4.291 1.597 7.010 1.00 0.00 N ATOM 81 CA CYS A 9 3.912 0.420 6.236 1.00 0.00 C ATOM 82 C CYS A 9 2.435 0.094 6.431 1.00 0.00 C ATOM 83 O CYS A 9 1.816 0.530 7.403 1.00 0.00 O ATOM 84 CB CYS A 9 4.769 -0.780 6.640 1.00 0.00 C ATOM 85 SG CYS A 9 4.632 -1.232 8.385 1.00 0.00 S ATOM 0 H CYS A 9 3.860 1.651 7.933 1.00 0.00 H new ATOM 0 HA CYS A 9 4.081 0.639 5.182 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.484 -1.638 6.030 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.812 -0.560 6.414 1.00 0.00 H new ATOM 0 HG CYS A 9 5.392 -2.259 8.628 1.00 0.00 H new ATOM 91 N CYS A 10 1.876 -0.673 5.502 1.00 0.00 N ATOM 92 CA CYS A 10 0.470 -1.056 5.571 1.00 0.00 C ATOM 93 C CYS A 10 0.322 -2.573 5.622 1.00 0.00 C ATOM 94 O CYS A 10 1.292 -3.309 5.436 1.00 0.00 O ATOM 95 CB CYS A 10 -0.291 -0.497 4.368 1.00 0.00 C ATOM 96 SG CYS A 10 0.016 -1.385 2.823 1.00 0.00 S ATOM 0 H CYS A 10 2.374 -1.042 4.692 1.00 0.00 H new ATOM 0 HA CYS A 10 0.049 -0.637 6.485 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.359 -0.523 4.583 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.018 0.550 4.233 1.00 0.00 H new ATOM 0 HG CYS A 10 0.745 -0.649 2.037 1.00 0.00 H new ATOM 102 N ARG A 11 -0.898 -3.035 5.877 1.00 0.00 N ATOM 103 CA ARG A 11 -1.173 -4.465 5.956 1.00 0.00 C ATOM 104 C ARG A 11 -2.382 -4.833 5.101 1.00 0.00 C ATOM 105 O ARG A 11 -3.442 -4.218 5.209 1.00 0.00 O ATOM 106 CB ARG A 11 -1.416 -4.880 7.408 1.00 0.00 C ATOM 107 CG ARG A 11 -1.233 -6.368 7.654 1.00 0.00 C ATOM 108 CD ARG A 11 -1.317 -6.702 9.136 1.00 0.00 C ATOM 109 NE ARG A 11 -0.119 -6.285 9.859 1.00 0.00 N ATOM 110 CZ ARG A 11 1.069 -6.861 9.709 1.00 0.00 C ATOM 111 NH1 ARG A 11 1.216 -7.873 8.865 1.00 0.00 N ATOM 112 NH2 ARG A 11 2.112 -6.425 10.403 1.00 0.00 N ATOM 0 H ARG A 11 -1.712 -2.440 6.032 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.303 -4.999 5.574 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.734 -4.327 8.054 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.428 -4.595 7.694 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.997 -6.924 7.111 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.267 -6.687 7.262 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.190 -6.214 9.569 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.459 -7.776 9.258 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.198 -5.509 10.516 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.416 -8.211 8.329 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.129 -8.314 8.751 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.003 -5.647 11.053 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.023 -6.868 10.287 1.00 0.00 H new ATOM 126 N ALA A 12 -2.215 -5.842 4.252 1.00 0.00 N ATOM 127 CA ALA A 12 -3.292 -6.294 3.380 1.00 0.00 C ATOM 128 C ALA A 12 -4.256 -7.209 4.128 1.00 0.00 C ATOM 129 O ALA A 12 -3.845 -7.997 4.980 1.00 0.00 O ATOM 130 CB ALA A 12 -2.722 -7.006 2.162 1.00 0.00 C ATOM 0 H ALA A 12 -1.343 -6.362 4.150 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.849 -5.418 3.047 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.538 -7.338 1.520 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.080 -6.322 1.608 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.140 -7.869 2.485 1.00 0.00 H new ATOM 136 N LEU A 13 -5.539 -7.099 3.804 1.00 0.00 N ATOM 137 CA LEU A 13 -6.563 -7.917 4.446 1.00 0.00 C ATOM 138 C LEU A 13 -6.903 -9.134 3.592 1.00 0.00 C ATOM 139 O LEU A 13 -7.311 -10.174 4.109 1.00 0.00 O ATOM 140 CB LEU A 13 -7.824 -7.087 4.697 1.00 0.00 C ATOM 141 CG LEU A 13 -7.752 -6.091 5.855 1.00 0.00 C ATOM 142 CD1 LEU A 13 -8.963 -5.171 5.842 1.00 0.00 C ATOM 143 CD2 LEU A 13 -7.651 -6.825 7.184 1.00 0.00 C ATOM 0 H LEU A 13 -5.896 -6.452 3.101 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.169 -8.265 5.401 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.061 -6.538 3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.653 -7.770 4.882 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.857 -5.482 5.731 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.895 -4.469 6.673 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.991 -4.620 4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.872 -5.764 5.942 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.601 -6.101 7.997 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.527 -7.459 7.317 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.752 -7.442 7.192 1.00 0.00 H new ATOM 155 N TYR A 14 -6.730 -8.997 2.282 1.00 0.00 N ATOM 156 CA TYR A 14 -7.018 -10.085 1.355 1.00 0.00 C ATOM 157 C TYR A 14 -6.004 -10.114 0.216 1.00 0.00 C ATOM 158 O TYR A 14 -5.053 -9.332 0.196 1.00 0.00 O ATOM 159 CB TYR A 14 -8.432 -9.941 0.790 1.00 0.00 C ATOM 160 CG TYR A 14 -9.517 -10.044 1.839 1.00 0.00 C ATOM 161 CD1 TYR A 14 -9.818 -11.262 2.437 1.00 0.00 C ATOM 162 CD2 TYR A 14 -10.239 -8.925 2.232 1.00 0.00 C ATOM 163 CE1 TYR A 14 -10.808 -11.361 3.395 1.00 0.00 C ATOM 164 CE2 TYR A 14 -11.231 -9.014 3.190 1.00 0.00 C ATOM 165 CZ TYR A 14 -11.512 -10.235 3.768 1.00 0.00 C ATOM 166 OH TYR A 14 -12.498 -10.329 4.723 1.00 0.00 O ATOM 0 H TYR A 14 -6.392 -8.143 1.838 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.947 -11.024 1.904 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.516 -8.978 0.285 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.593 -10.711 0.036 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.269 -12.146 2.148 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.021 -7.968 1.781 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.030 -12.315 3.850 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -11.783 -8.134 3.484 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.895 -9.445 4.871 1.00 0.00 H new ATOM 176 N ASP A 15 -6.214 -11.020 -0.732 1.00 0.00 N ATOM 177 CA ASP A 15 -5.321 -11.152 -1.877 1.00 0.00 C ATOM 178 C ASP A 15 -5.882 -10.419 -3.092 1.00 0.00 C ATOM 179 O ASP A 15 -7.096 -10.374 -3.296 1.00 0.00 O ATOM 180 CB ASP A 15 -5.100 -12.627 -2.213 1.00 0.00 C ATOM 181 CG ASP A 15 -4.447 -12.822 -3.567 1.00 0.00 C ATOM 182 OD1 ASP A 15 -3.222 -12.603 -3.671 1.00 0.00 O ATOM 183 OD2 ASP A 15 -5.161 -13.192 -4.523 1.00 0.00 O ATOM 0 H ASP A 15 -6.996 -11.675 -0.730 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.364 -10.701 -1.613 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.476 -13.082 -1.444 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.058 -13.148 -2.197 1.00 0.00 H new ATOM 188 N PHE A 16 -4.992 -9.845 -3.894 1.00 0.00 N ATOM 189 CA PHE A 16 -5.399 -9.112 -5.087 1.00 0.00 C ATOM 190 C PHE A 16 -4.409 -9.336 -6.227 1.00 0.00 C ATOM 191 O PHE A 16 -3.228 -9.010 -6.109 1.00 0.00 O ATOM 192 CB PHE A 16 -5.511 -7.618 -4.780 1.00 0.00 C ATOM 193 CG PHE A 16 -5.469 -6.749 -6.005 1.00 0.00 C ATOM 194 CD1 PHE A 16 -6.478 -6.815 -6.952 1.00 0.00 C ATOM 195 CD2 PHE A 16 -4.420 -5.867 -6.209 1.00 0.00 C ATOM 196 CE1 PHE A 16 -6.441 -6.018 -8.081 1.00 0.00 C ATOM 197 CE2 PHE A 16 -4.378 -5.067 -7.336 1.00 0.00 C ATOM 198 CZ PHE A 16 -5.390 -5.142 -8.272 1.00 0.00 C ATOM 0 H PHE A 16 -3.984 -9.873 -3.740 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.375 -9.486 -5.398 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.443 -7.434 -4.246 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.699 -7.331 -4.112 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.303 -7.497 -6.807 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.626 -5.804 -5.479 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -7.233 -6.080 -8.813 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.554 -4.384 -7.484 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.360 -4.517 -9.152 1.00 0.00 H new ATOM 208 N GLU A 17 -4.900 -9.895 -7.328 1.00 0.00 N ATOM 209 CA GLU A 17 -4.058 -10.164 -8.488 1.00 0.00 C ATOM 210 C GLU A 17 -4.104 -9.000 -9.475 1.00 0.00 C ATOM 211 O GLU A 17 -5.134 -8.354 -9.664 1.00 0.00 O ATOM 212 CB GLU A 17 -4.503 -11.453 -9.182 1.00 0.00 C ATOM 213 CG GLU A 17 -4.523 -12.663 -8.263 1.00 0.00 C ATOM 214 CD GLU A 17 -5.481 -13.739 -8.736 1.00 0.00 C ATOM 215 OE1 GLU A 17 -6.706 -13.553 -8.583 1.00 0.00 O ATOM 216 OE2 GLU A 17 -5.004 -14.768 -9.260 1.00 0.00 O ATOM 0 H GLU A 17 -5.876 -10.170 -7.441 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.032 -10.283 -8.140 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.500 -11.306 -9.598 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.835 -11.654 -10.019 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.518 -13.080 -8.196 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.805 -12.347 -7.259 1.00 0.00 H new ATOM 223 N PRO A 18 -2.960 -8.727 -10.120 1.00 0.00 N ATOM 224 CA PRO A 18 -2.843 -7.641 -11.098 1.00 0.00 C ATOM 225 C PRO A 18 -3.612 -7.932 -12.382 1.00 0.00 C ATOM 226 O PRO A 18 -3.469 -9.003 -12.973 1.00 0.00 O ATOM 227 CB PRO A 18 -1.340 -7.577 -11.378 1.00 0.00 C ATOM 228 CG PRO A 18 -0.838 -8.945 -11.071 1.00 0.00 C ATOM 229 CD PRO A 18 -1.693 -9.457 -9.945 1.00 0.00 C ATOM 0 HA PRO A 18 -3.261 -6.707 -10.722 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.142 -7.306 -12.415 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -0.853 -6.827 -10.754 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.913 -9.593 -11.944 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.213 -8.919 -10.783 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.838 -10.535 -10.009 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.243 -9.253 -8.974 1.00 0.00 H new ATOM 237 N GLU A 19 -4.427 -6.973 -12.809 1.00 0.00 N ATOM 238 CA GLU A 19 -5.219 -7.129 -14.024 1.00 0.00 C ATOM 239 C GLU A 19 -4.675 -6.247 -15.145 1.00 0.00 C ATOM 240 O GLU A 19 -4.805 -6.573 -16.324 1.00 0.00 O ATOM 241 CB GLU A 19 -6.684 -6.781 -13.753 1.00 0.00 C ATOM 242 CG GLU A 19 -6.884 -5.385 -13.187 1.00 0.00 C ATOM 243 CD GLU A 19 -8.312 -4.896 -13.332 1.00 0.00 C ATOM 244 OE1 GLU A 19 -8.903 -5.103 -14.412 1.00 0.00 O ATOM 245 OE2 GLU A 19 -8.838 -4.305 -12.366 1.00 0.00 O ATOM 0 H GLU A 19 -4.556 -6.081 -12.332 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.152 -8.170 -14.339 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.248 -6.872 -14.681 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.099 -7.509 -13.056 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.608 -5.382 -12.133 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.213 -4.692 -13.694 1.00 0.00 H new ATOM 252 N ASN A 20 -4.065 -5.128 -14.766 1.00 0.00 N ATOM 253 CA ASN A 20 -3.502 -4.198 -15.738 1.00 0.00 C ATOM 254 C ASN A 20 -2.088 -3.785 -15.340 1.00 0.00 C ATOM 255 O ASN A 20 -1.668 -3.993 -14.202 1.00 0.00 O ATOM 256 CB ASN A 20 -4.391 -2.960 -15.865 1.00 0.00 C ATOM 257 CG ASN A 20 -5.701 -3.258 -16.568 1.00 0.00 C ATOM 258 OD1 ASN A 20 -5.728 -3.508 -17.773 1.00 0.00 O ATOM 259 ND2 ASN A 20 -6.795 -3.232 -15.816 1.00 0.00 N ATOM 0 H ASN A 20 -3.948 -4.844 -13.793 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.456 -4.703 -16.703 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -4.597 -2.561 -14.872 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.855 -2.186 -16.414 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.706 -3.424 -16.234 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -6.725 -3.020 -14.821 1.00 0.00 H new ATOM 266 N GLU A 21 -1.361 -3.198 -16.285 1.00 0.00 N ATOM 267 CA GLU A 21 0.006 -2.756 -16.032 1.00 0.00 C ATOM 268 C GLU A 21 0.065 -1.846 -14.809 1.00 0.00 C ATOM 269 O GLU A 21 -0.903 -1.159 -14.484 1.00 0.00 O ATOM 270 CB GLU A 21 0.562 -2.023 -17.254 1.00 0.00 C ATOM 271 CG GLU A 21 -0.214 -0.768 -17.617 1.00 0.00 C ATOM 272 CD GLU A 21 -1.471 -1.068 -18.411 1.00 0.00 C ATOM 273 OE1 GLU A 21 -1.365 -1.750 -19.452 1.00 0.00 O ATOM 274 OE2 GLU A 21 -2.559 -0.622 -17.991 1.00 0.00 O ATOM 0 H GLU A 21 -1.695 -3.017 -17.232 1.00 0.00 H new ATOM 0 HA GLU A 21 0.616 -3.638 -15.837 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.601 -1.755 -17.064 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.558 -2.702 -18.107 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.483 -0.235 -16.705 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.427 -0.104 -18.196 1.00 0.00 H new ATOM 281 N GLY A 22 1.210 -1.847 -14.133 1.00 0.00 N ATOM 282 CA GLY A 22 1.375 -1.019 -12.952 1.00 0.00 C ATOM 283 C GLY A 22 0.771 -1.649 -11.713 1.00 0.00 C ATOM 284 O GLY A 22 1.404 -1.690 -10.659 1.00 0.00 O ATOM 0 H GLY A 22 2.026 -2.406 -14.382 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.437 -0.839 -12.784 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.911 -0.048 -13.125 1.00 0.00 H new ATOM 288 N GLU A 23 -0.459 -2.138 -11.840 1.00 0.00 N ATOM 289 CA GLU A 23 -1.149 -2.766 -10.719 1.00 0.00 C ATOM 290 C GLU A 23 -0.210 -3.693 -9.952 1.00 0.00 C ATOM 291 O GLU A 23 0.303 -4.668 -10.501 1.00 0.00 O ATOM 292 CB GLU A 23 -2.365 -3.552 -11.216 1.00 0.00 C ATOM 293 CG GLU A 23 -3.430 -2.681 -11.862 1.00 0.00 C ATOM 294 CD GLU A 23 -4.287 -1.956 -10.842 1.00 0.00 C ATOM 295 OE1 GLU A 23 -5.270 -2.556 -10.359 1.00 0.00 O ATOM 296 OE2 GLU A 23 -3.974 -0.788 -10.528 1.00 0.00 O ATOM 0 H GLU A 23 -0.997 -2.111 -12.706 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.485 -1.978 -10.045 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.034 -4.300 -11.936 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.807 -4.090 -10.377 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.951 -1.950 -12.514 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.068 -3.301 -12.493 1.00 0.00 H new ATOM 303 N LEU A 24 0.010 -3.380 -8.680 1.00 0.00 N ATOM 304 CA LEU A 24 0.887 -4.183 -7.835 1.00 0.00 C ATOM 305 C LEU A 24 0.080 -5.154 -6.979 1.00 0.00 C ATOM 306 O LEU A 24 -0.433 -4.787 -5.923 1.00 0.00 O ATOM 307 CB LEU A 24 1.734 -3.278 -6.939 1.00 0.00 C ATOM 308 CG LEU A 24 2.601 -3.986 -5.897 1.00 0.00 C ATOM 309 CD1 LEU A 24 3.900 -4.468 -6.523 1.00 0.00 C ATOM 310 CD2 LEU A 24 2.883 -3.062 -4.722 1.00 0.00 C ATOM 0 H LEU A 24 -0.407 -2.576 -8.211 1.00 0.00 H new ATOM 0 HA LEU A 24 1.546 -4.761 -8.484 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.384 -2.676 -7.575 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.068 -2.588 -6.420 1.00 0.00 H new ATOM 0 HG LEU A 24 2.056 -4.855 -5.527 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.504 -4.969 -5.767 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.678 -5.165 -7.331 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.451 -3.615 -6.921 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.501 -3.582 -3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.408 -2.174 -5.075 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.942 -2.766 -4.258 1.00 0.00 H new ATOM 322 N GLY A 25 -0.027 -6.396 -7.442 1.00 0.00 N ATOM 323 CA GLY A 25 -0.771 -7.401 -6.705 1.00 0.00 C ATOM 324 C GLY A 25 -0.184 -7.667 -5.333 1.00 0.00 C ATOM 325 O GLY A 25 1.034 -7.648 -5.157 1.00 0.00 O ATOM 0 H GLY A 25 0.388 -6.724 -8.314 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.806 -7.076 -6.597 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.786 -8.329 -7.276 1.00 0.00 H new ATOM 329 N PHE A 26 -1.052 -7.913 -4.358 1.00 0.00 N ATOM 330 CA PHE A 26 -0.614 -8.181 -2.993 1.00 0.00 C ATOM 331 C PHE A 26 -1.268 -9.448 -2.450 1.00 0.00 C ATOM 332 O PHE A 26 -2.193 -9.991 -3.055 1.00 0.00 O ATOM 333 CB PHE A 26 -0.944 -6.994 -2.086 1.00 0.00 C ATOM 334 CG PHE A 26 -2.390 -6.589 -2.132 1.00 0.00 C ATOM 335 CD1 PHE A 26 -3.382 -7.466 -1.725 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.757 -5.331 -2.583 1.00 0.00 C ATOM 337 CE1 PHE A 26 -4.713 -7.097 -1.766 1.00 0.00 C ATOM 338 CE2 PHE A 26 -4.086 -4.956 -2.625 1.00 0.00 C ATOM 339 CZ PHE A 26 -5.066 -5.840 -2.217 1.00 0.00 C ATOM 0 H PHE A 26 -2.064 -7.932 -4.487 1.00 0.00 H new ATOM 0 HA PHE A 26 0.466 -8.329 -3.008 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.678 -7.246 -1.059 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.327 -6.143 -2.375 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.112 -8.450 -1.371 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.996 -4.636 -2.905 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.476 -7.791 -1.446 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.359 -3.972 -2.977 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.106 -5.549 -2.251 1.00 0.00 H new ATOM 349 N LYS A 27 -0.780 -9.915 -1.306 1.00 0.00 N ATOM 350 CA LYS A 27 -1.316 -11.118 -0.679 1.00 0.00 C ATOM 351 C LYS A 27 -1.846 -10.813 0.718 1.00 0.00 C ATOM 352 O LYS A 27 -1.643 -9.719 1.243 1.00 0.00 O ATOM 353 CB LYS A 27 -0.238 -12.201 -0.603 1.00 0.00 C ATOM 354 CG LYS A 27 -0.796 -13.614 -0.595 1.00 0.00 C ATOM 355 CD LYS A 27 0.238 -14.624 -1.063 1.00 0.00 C ATOM 356 CE LYS A 27 -0.012 -15.998 -0.460 1.00 0.00 C ATOM 357 NZ LYS A 27 1.149 -16.910 -0.657 1.00 0.00 N ATOM 0 H LYS A 27 -0.014 -9.479 -0.794 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.143 -11.480 -1.290 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.437 -12.090 -1.452 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.356 -12.049 0.298 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.126 -13.870 0.412 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.673 -13.664 -1.241 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.214 -14.693 -2.151 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.235 -14.280 -0.787 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.216 -15.895 0.606 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.900 -16.438 -0.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.939 -17.836 -0.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.328 -17.029 -1.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.991 -16.503 -0.202 1.00 0.00 H new ATOM 371 N GLU A 28 -2.523 -11.788 1.315 1.00 0.00 N ATOM 372 CA GLU A 28 -3.081 -11.623 2.653 1.00 0.00 C ATOM 373 C GLU A 28 -1.971 -11.474 3.690 1.00 0.00 C ATOM 374 O GLU A 28 -1.009 -12.240 3.700 1.00 0.00 O ATOM 375 CB GLU A 28 -3.970 -12.816 3.010 1.00 0.00 C ATOM 376 CG GLU A 28 -4.773 -12.616 4.284 1.00 0.00 C ATOM 377 CD GLU A 28 -6.032 -13.461 4.319 1.00 0.00 C ATOM 378 OE1 GLU A 28 -7.016 -13.087 3.648 1.00 0.00 O ATOM 379 OE2 GLU A 28 -6.032 -14.496 5.018 1.00 0.00 O ATOM 0 H GLU A 28 -2.699 -12.700 0.894 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.684 -10.715 2.658 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.656 -13.007 2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.347 -13.703 3.119 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.150 -12.863 5.144 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.043 -11.564 4.377 1.00 0.00 H new ATOM 386 N GLY A 29 -2.114 -10.480 4.561 1.00 0.00 N ATOM 387 CA GLY A 29 -1.117 -10.246 5.590 1.00 0.00 C ATOM 388 C GLY A 29 0.239 -9.891 5.013 1.00 0.00 C ATOM 389 O GLY A 29 1.274 -10.254 5.574 1.00 0.00 O ATOM 0 H GLY A 29 -2.902 -9.833 4.573 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.454 -9.439 6.241 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.023 -11.138 6.210 1.00 0.00 H new ATOM 393 N ASP A 30 0.235 -9.181 3.891 1.00 0.00 N ATOM 394 CA ASP A 30 1.475 -8.777 3.237 1.00 0.00 C ATOM 395 C ASP A 30 1.765 -7.301 3.488 1.00 0.00 C ATOM 396 O ASP A 30 0.969 -6.432 3.132 1.00 0.00 O ATOM 397 CB ASP A 30 1.394 -9.045 1.733 1.00 0.00 C ATOM 398 CG ASP A 30 1.747 -10.477 1.381 1.00 0.00 C ATOM 399 OD1 ASP A 30 1.579 -11.361 2.247 1.00 0.00 O ATOM 400 OD2 ASP A 30 2.191 -10.714 0.238 1.00 0.00 O ATOM 0 H ASP A 30 -0.613 -8.873 3.415 1.00 0.00 H new ATOM 0 HA ASP A 30 2.289 -9.366 3.660 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.386 -8.825 1.381 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.069 -8.368 1.209 1.00 0.00 H new ATOM 405 N ILE A 31 2.910 -7.025 4.104 1.00 0.00 N ATOM 406 CA ILE A 31 3.305 -5.654 4.403 1.00 0.00 C ATOM 407 C ILE A 31 3.862 -4.961 3.164 1.00 0.00 C ATOM 408 O ILE A 31 4.905 -5.351 2.638 1.00 0.00 O ATOM 409 CB ILE A 31 4.360 -5.604 5.524 1.00 0.00 C ATOM 410 CG1 ILE A 31 3.833 -6.299 6.781 1.00 0.00 C ATOM 411 CG2 ILE A 31 4.740 -4.163 5.828 1.00 0.00 C ATOM 412 CD1 ILE A 31 2.660 -5.587 7.418 1.00 0.00 C ATOM 0 H ILE A 31 3.580 -7.732 4.406 1.00 0.00 H new ATOM 0 HA ILE A 31 2.408 -5.132 4.736 1.00 0.00 H new ATOM 0 HB ILE A 31 5.253 -6.132 5.188 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.536 -7.316 6.526 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.640 -6.376 7.509 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.486 -4.143 6.622 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.151 -3.698 4.932 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.855 -3.613 6.148 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.339 -6.135 8.304 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.958 -4.578 7.704 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.837 -5.533 6.706 1.00 0.00 H new ATOM 424 N ILE A 32 3.162 -3.929 2.705 1.00 0.00 N ATOM 425 CA ILE A 32 3.588 -3.179 1.530 1.00 0.00 C ATOM 426 C ILE A 32 4.195 -1.837 1.925 1.00 0.00 C ATOM 427 O ILE A 32 3.502 -0.956 2.436 1.00 0.00 O ATOM 428 CB ILE A 32 2.416 -2.935 0.562 1.00 0.00 C ATOM 429 CG1 ILE A 32 1.734 -4.258 0.208 1.00 0.00 C ATOM 430 CG2 ILE A 32 2.905 -2.232 -0.695 1.00 0.00 C ATOM 431 CD1 ILE A 32 0.262 -4.114 -0.110 1.00 0.00 C ATOM 0 H ILE A 32 2.297 -3.593 3.129 1.00 0.00 H new ATOM 0 HA ILE A 32 4.343 -3.783 1.027 1.00 0.00 H new ATOM 0 HB ILE A 32 1.686 -2.292 1.054 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.241 -4.700 -0.650 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.851 -4.952 1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.065 -2.067 -1.370 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.349 -1.273 -0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.652 -2.852 -1.191 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.155 -5.092 -0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.258 -3.701 0.754 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.138 -3.446 -0.962 1.00 0.00 H new ATOM 443 N THR A 33 5.493 -1.687 1.684 1.00 0.00 N ATOM 444 CA THR A 33 6.194 -0.452 2.014 1.00 0.00 C ATOM 445 C THR A 33 5.420 0.767 1.524 1.00 0.00 C ATOM 446 O THR A 33 4.592 0.666 0.618 1.00 0.00 O ATOM 447 CB THR A 33 7.607 -0.428 1.402 1.00 0.00 C ATOM 448 OG1 THR A 33 8.244 -1.697 1.588 1.00 0.00 O ATOM 449 CG2 THR A 33 8.453 0.667 2.036 1.00 0.00 C ATOM 0 H THR A 33 6.081 -2.405 1.261 1.00 0.00 H new ATOM 0 HA THR A 33 6.275 -0.415 3.100 1.00 0.00 H new ATOM 0 HB THR A 33 7.513 -0.222 0.336 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.164 -2.227 0.767 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.447 0.665 1.588 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.981 1.635 1.867 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.538 0.487 3.108 1.00 0.00 H new ATOM 457 N LEU A 34 5.694 1.918 2.129 1.00 0.00 N ATOM 458 CA LEU A 34 5.023 3.158 1.753 1.00 0.00 C ATOM 459 C LEU A 34 6.034 4.211 1.311 1.00 0.00 C ATOM 460 O LEU A 34 7.024 4.465 1.997 1.00 0.00 O ATOM 461 CB LEU A 34 4.197 3.688 2.926 1.00 0.00 C ATOM 462 CG LEU A 34 2.943 2.888 3.280 1.00 0.00 C ATOM 463 CD1 LEU A 34 2.481 3.218 4.691 1.00 0.00 C ATOM 464 CD2 LEU A 34 1.834 3.163 2.276 1.00 0.00 C ATOM 0 H LEU A 34 6.375 2.018 2.881 1.00 0.00 H new ATOM 0 HA LEU A 34 4.359 2.945 0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.838 3.729 3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.899 4.712 2.701 1.00 0.00 H new ATOM 0 HG LEU A 34 3.188 1.827 3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.588 2.640 4.926 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.271 2.970 5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.253 4.282 4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.949 2.585 2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.590 4.225 2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.167 2.876 1.279 1.00 0.00 H new ATOM 476 N THR A 35 5.777 4.823 0.159 1.00 0.00 N ATOM 477 CA THR A 35 6.663 5.850 -0.375 1.00 0.00 C ATOM 478 C THR A 35 5.901 7.138 -0.663 1.00 0.00 C ATOM 479 O THR A 35 6.267 8.208 -0.178 1.00 0.00 O ATOM 480 CB THR A 35 7.355 5.377 -1.667 1.00 0.00 C ATOM 481 OG1 THR A 35 6.378 5.127 -2.684 1.00 0.00 O ATOM 482 CG2 THR A 35 8.167 4.115 -1.416 1.00 0.00 C ATOM 0 H THR A 35 4.962 4.625 -0.422 1.00 0.00 H new ATOM 0 HA THR A 35 7.420 6.041 0.386 1.00 0.00 H new ATOM 0 HB THR A 35 8.031 6.165 -1.999 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.715 5.446 -3.547 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.646 3.800 -2.343 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.929 4.317 -0.664 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.508 3.323 -1.061 1.00 0.00 H new ATOM 490 N ASN A 36 4.838 7.028 -1.454 1.00 0.00 N ATOM 491 CA ASN A 36 4.024 8.186 -1.806 1.00 0.00 C ATOM 492 C ASN A 36 2.627 7.756 -2.241 1.00 0.00 C ATOM 493 O ASN A 36 2.349 6.565 -2.380 1.00 0.00 O ATOM 494 CB ASN A 36 4.695 8.987 -2.923 1.00 0.00 C ATOM 495 CG ASN A 36 4.363 10.465 -2.855 1.00 0.00 C ATOM 496 OD1 ASN A 36 3.510 10.885 -2.074 1.00 0.00 O ATOM 497 ND2 ASN A 36 5.038 11.261 -3.676 1.00 0.00 N ATOM 0 H ASN A 36 4.521 6.149 -1.863 1.00 0.00 H new ATOM 0 HA ASN A 36 3.932 8.817 -0.922 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.775 8.857 -2.861 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.381 8.591 -3.889 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.858 12.265 -3.676 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.737 10.868 -4.307 1.00 0.00 H new ATOM 504 N GLN A 37 1.752 8.734 -2.456 1.00 0.00 N ATOM 505 CA GLN A 37 0.384 8.456 -2.875 1.00 0.00 C ATOM 506 C GLN A 37 0.062 9.166 -4.186 1.00 0.00 C ATOM 507 O GLN A 37 0.307 10.364 -4.331 1.00 0.00 O ATOM 508 CB GLN A 37 -0.603 8.891 -1.791 1.00 0.00 C ATOM 509 CG GLN A 37 -2.059 8.677 -2.171 1.00 0.00 C ATOM 510 CD GLN A 37 -2.994 8.778 -0.982 1.00 0.00 C ATOM 511 OE1 GLN A 37 -2.672 8.325 0.116 1.00 0.00 O ATOM 512 NE2 GLN A 37 -4.161 9.376 -1.196 1.00 0.00 N ATOM 0 H GLN A 37 1.967 9.725 -2.347 1.00 0.00 H new ATOM 0 HA GLN A 37 0.290 7.381 -3.031 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.390 8.339 -0.875 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.445 9.947 -1.571 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.348 9.416 -2.919 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.169 7.696 -2.633 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.387 9.737 -2.123 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.831 9.474 -0.433 1.00 0.00 H new ATOM 521 N ILE A 38 -0.488 8.420 -5.138 1.00 0.00 N ATOM 522 CA ILE A 38 -0.844 8.978 -6.437 1.00 0.00 C ATOM 523 C ILE A 38 -2.337 9.276 -6.516 1.00 0.00 C ATOM 524 O ILE A 38 -2.745 10.339 -6.984 1.00 0.00 O ATOM 525 CB ILE A 38 -0.459 8.026 -7.584 1.00 0.00 C ATOM 526 CG1 ILE A 38 1.063 7.916 -7.697 1.00 0.00 C ATOM 527 CG2 ILE A 38 -1.060 8.507 -8.896 1.00 0.00 C ATOM 528 CD1 ILE A 38 1.656 6.826 -6.831 1.00 0.00 C ATOM 0 H ILE A 38 -0.697 7.427 -5.034 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.285 9.907 -6.546 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.860 7.036 -7.365 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.329 7.728 -8.737 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.510 8.871 -7.421 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.779 7.824 -9.697 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.146 8.537 -8.809 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.686 9.505 -9.123 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.738 6.806 -6.962 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.420 7.024 -5.785 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.237 5.862 -7.121 1.00 0.00 H new ATOM 540 N ASP A 39 -3.148 8.330 -6.055 1.00 0.00 N ATOM 541 CA ASP A 39 -4.597 8.491 -6.071 1.00 0.00 C ATOM 542 C ASP A 39 -5.127 8.786 -4.671 1.00 0.00 C ATOM 543 O ASP A 39 -4.355 8.946 -3.727 1.00 0.00 O ATOM 544 CB ASP A 39 -5.266 7.233 -6.628 1.00 0.00 C ATOM 545 CG ASP A 39 -4.518 6.658 -7.815 1.00 0.00 C ATOM 546 OD1 ASP A 39 -4.190 7.429 -8.741 1.00 0.00 O ATOM 547 OD2 ASP A 39 -4.260 5.436 -7.817 1.00 0.00 O ATOM 0 H ASP A 39 -2.826 7.444 -5.666 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.836 9.336 -6.716 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.329 6.480 -5.842 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.288 7.469 -6.926 1.00 0.00 H new ATOM 552 N GLU A 40 -6.449 8.858 -4.547 1.00 0.00 N ATOM 553 CA GLU A 40 -7.080 9.136 -3.262 1.00 0.00 C ATOM 554 C GLU A 40 -7.415 7.840 -2.529 1.00 0.00 C ATOM 555 O GLU A 40 -7.715 7.850 -1.336 1.00 0.00 O ATOM 556 CB GLU A 40 -8.351 9.964 -3.462 1.00 0.00 C ATOM 557 CG GLU A 40 -9.430 9.242 -4.251 1.00 0.00 C ATOM 558 CD GLU A 40 -10.822 9.761 -3.947 1.00 0.00 C ATOM 559 OE1 GLU A 40 -11.143 9.936 -2.752 1.00 0.00 O ATOM 560 OE2 GLU A 40 -11.591 9.993 -4.903 1.00 0.00 O ATOM 0 H GLU A 40 -7.102 8.728 -5.319 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.375 9.705 -2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.751 10.242 -2.487 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.094 10.890 -3.977 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.230 9.352 -5.317 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.387 8.176 -4.027 1.00 0.00 H new ATOM 567 N ASN A 41 -7.361 6.727 -3.252 1.00 0.00 N ATOM 568 CA ASN A 41 -7.659 5.423 -2.672 1.00 0.00 C ATOM 569 C ASN A 41 -6.545 4.425 -2.974 1.00 0.00 C ATOM 570 O ASN A 41 -6.688 3.227 -2.730 1.00 0.00 O ATOM 571 CB ASN A 41 -8.991 4.894 -3.208 1.00 0.00 C ATOM 572 CG ASN A 41 -10.175 5.379 -2.394 1.00 0.00 C ATOM 573 OD1 ASN A 41 -10.033 5.742 -1.227 1.00 0.00 O ATOM 574 ND2 ASN A 41 -11.352 5.387 -3.010 1.00 0.00 N ATOM 0 H ASN A 41 -7.114 6.702 -4.241 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.732 5.543 -1.591 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.113 5.208 -4.245 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.974 3.804 -3.205 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -12.185 5.703 -2.514 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.422 5.077 -3.979 1.00 0.00 H new ATOM 581 N TRP A 42 -5.437 4.928 -3.505 1.00 0.00 N ATOM 582 CA TRP A 42 -4.297 4.081 -3.840 1.00 0.00 C ATOM 583 C TRP A 42 -3.039 4.550 -3.116 1.00 0.00 C ATOM 584 O TRP A 42 -2.998 5.656 -2.577 1.00 0.00 O ATOM 585 CB TRP A 42 -4.062 4.082 -5.351 1.00 0.00 C ATOM 586 CG TRP A 42 -5.227 3.558 -6.134 1.00 0.00 C ATOM 587 CD1 TRP A 42 -6.474 4.110 -6.217 1.00 0.00 C ATOM 588 CD2 TRP A 42 -5.255 2.376 -6.942 1.00 0.00 C ATOM 589 NE1 TRP A 42 -7.275 3.343 -7.028 1.00 0.00 N ATOM 590 CE2 TRP A 42 -6.550 2.274 -7.487 1.00 0.00 C ATOM 591 CE3 TRP A 42 -4.311 1.396 -7.261 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -6.923 1.231 -8.330 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -4.683 0.361 -8.098 1.00 0.00 C ATOM 594 CH2 TRP A 42 -5.979 0.285 -8.625 1.00 0.00 C ATOM 0 H TRP A 42 -5.303 5.918 -3.713 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.522 3.065 -3.515 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.843 5.099 -5.677 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.182 3.479 -5.575 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.785 5.016 -5.718 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.251 3.537 -7.252 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.309 1.447 -6.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.922 1.170 -8.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.962 -0.403 -8.350 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -6.238 -0.536 -9.277 1.00 0.00 H new ATOM 605 N TYR A 43 -2.016 3.703 -3.109 1.00 0.00 N ATOM 606 CA TYR A 43 -0.757 4.030 -2.450 1.00 0.00 C ATOM 607 C TYR A 43 0.432 3.634 -3.319 1.00 0.00 C ATOM 608 O TYR A 43 0.271 2.977 -4.347 1.00 0.00 O ATOM 609 CB TYR A 43 -0.670 3.327 -1.095 1.00 0.00 C ATOM 610 CG TYR A 43 -1.235 4.141 0.048 1.00 0.00 C ATOM 611 CD1 TYR A 43 -0.914 5.485 0.195 1.00 0.00 C ATOM 612 CD2 TYR A 43 -2.091 3.566 0.979 1.00 0.00 C ATOM 613 CE1 TYR A 43 -1.428 6.232 1.237 1.00 0.00 C ATOM 614 CE2 TYR A 43 -2.610 4.306 2.024 1.00 0.00 C ATOM 615 CZ TYR A 43 -2.276 5.638 2.149 1.00 0.00 C ATOM 616 OH TYR A 43 -2.791 6.379 3.188 1.00 0.00 O ATOM 0 H TYR A 43 -2.034 2.785 -3.552 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.726 5.108 -2.295 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.204 2.378 -1.153 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.373 3.094 -0.883 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.251 5.953 -0.518 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.355 2.523 0.884 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.168 7.275 1.337 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.274 3.844 2.739 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.672 6.027 3.436 1.00 0.00 H new ATOM 626 N GLU A 44 1.626 4.038 -2.897 1.00 0.00 N ATOM 627 CA GLU A 44 2.843 3.726 -3.637 1.00 0.00 C ATOM 628 C GLU A 44 3.888 3.094 -2.722 1.00 0.00 C ATOM 629 O GLU A 44 4.154 3.591 -1.628 1.00 0.00 O ATOM 630 CB GLU A 44 3.413 4.990 -4.283 1.00 0.00 C ATOM 631 CG GLU A 44 4.273 4.715 -5.505 1.00 0.00 C ATOM 632 CD GLU A 44 5.174 5.882 -5.859 1.00 0.00 C ATOM 633 OE1 GLU A 44 4.645 6.949 -6.234 1.00 0.00 O ATOM 634 OE2 GLU A 44 6.410 5.727 -5.760 1.00 0.00 O ATOM 0 H GLU A 44 1.776 4.582 -2.047 1.00 0.00 H new ATOM 0 HA GLU A 44 2.589 3.011 -4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.590 5.645 -4.569 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.007 5.529 -3.545 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.884 3.831 -5.323 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.629 4.488 -6.354 1.00 0.00 H new ATOM 641 N GLY A 45 4.479 1.993 -3.179 1.00 0.00 N ATOM 642 CA GLY A 45 5.487 1.311 -2.390 1.00 0.00 C ATOM 643 C GLY A 45 6.219 0.245 -3.181 1.00 0.00 C ATOM 644 O GLY A 45 6.002 0.096 -4.384 1.00 0.00 O ATOM 0 H GLY A 45 4.277 1.562 -4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.206 2.040 -2.016 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.015 0.854 -1.520 1.00 0.00 H new ATOM 648 N MET A 46 7.089 -0.499 -2.506 1.00 0.00 N ATOM 649 CA MET A 46 7.855 -1.557 -3.155 1.00 0.00 C ATOM 650 C MET A 46 7.506 -2.920 -2.567 1.00 0.00 C ATOM 651 O MET A 46 7.695 -3.159 -1.373 1.00 0.00 O ATOM 652 CB MET A 46 9.355 -1.293 -3.007 1.00 0.00 C ATOM 653 CG MET A 46 9.941 -0.465 -4.139 1.00 0.00 C ATOM 654 SD MET A 46 11.537 0.260 -3.715 1.00 0.00 S ATOM 655 CE MET A 46 11.019 1.674 -2.745 1.00 0.00 C ATOM 0 H MET A 46 7.281 -0.389 -1.510 1.00 0.00 H new ATOM 0 HA MET A 46 7.597 -1.562 -4.214 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.534 -0.780 -2.062 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.880 -2.247 -2.956 1.00 0.00 H new ATOM 0 HG2 MET A 46 10.055 -1.093 -5.022 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.243 0.330 -4.401 1.00 0.00 H new ATOM 0 HE1 MET A 46 11.391 2.588 -3.207 1.00 0.00 H new ATOM 0 HE2 MET A 46 9.930 1.706 -2.702 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.420 1.589 -1.735 1.00 0.00 H new ATOM 665 N LEU A 47 6.996 -3.810 -3.410 1.00 0.00 N ATOM 666 CA LEU A 47 6.620 -5.150 -2.974 1.00 0.00 C ATOM 667 C LEU A 47 7.355 -6.213 -3.784 1.00 0.00 C ATOM 668 O LEU A 47 7.027 -6.462 -4.945 1.00 0.00 O ATOM 669 CB LEU A 47 5.109 -5.346 -3.106 1.00 0.00 C ATOM 670 CG LEU A 47 4.543 -6.632 -2.503 1.00 0.00 C ATOM 671 CD1 LEU A 47 4.635 -6.596 -0.985 1.00 0.00 C ATOM 672 CD2 LEU A 47 3.103 -6.841 -2.947 1.00 0.00 C ATOM 0 H LEU A 47 6.833 -3.628 -4.400 1.00 0.00 H new ATOM 0 HA LEU A 47 6.904 -5.257 -1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.611 -4.498 -2.636 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.851 -5.321 -4.165 1.00 0.00 H new ATOM 0 HG LEU A 47 5.138 -7.471 -2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.227 -7.520 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.678 -6.495 -0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.065 -5.748 -0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.717 -7.761 -2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.495 -5.999 -2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.064 -6.913 -4.034 1.00 0.00 H new ATOM 684 N HIS A 48 8.350 -6.840 -3.164 1.00 0.00 N ATOM 685 CA HIS A 48 9.130 -7.879 -3.827 1.00 0.00 C ATOM 686 C HIS A 48 9.863 -7.317 -5.041 1.00 0.00 C ATOM 687 O HIS A 48 10.024 -7.999 -6.052 1.00 0.00 O ATOM 688 CB HIS A 48 8.223 -9.034 -4.254 1.00 0.00 C ATOM 689 CG HIS A 48 7.704 -9.844 -3.105 1.00 0.00 C ATOM 690 ND1 HIS A 48 7.928 -11.198 -2.978 1.00 0.00 N ATOM 691 CD2 HIS A 48 6.970 -9.482 -2.027 1.00 0.00 C ATOM 692 CE1 HIS A 48 7.352 -11.635 -1.873 1.00 0.00 C ATOM 693 NE2 HIS A 48 6.764 -10.614 -1.277 1.00 0.00 N ATOM 0 H HIS A 48 8.635 -6.647 -2.204 1.00 0.00 H new ATOM 0 HA HIS A 48 9.870 -8.251 -3.118 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.379 -8.634 -4.816 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.775 -9.688 -4.929 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.613 -8.489 -1.799 1.00 0.00 H new ATOM 0 HE1 HIS A 48 7.360 -12.655 -1.517 1.00 0.00 H new ATOM 0 HE2 HIS A 48 6.242 -10.659 -0.402 1.00 0.00 H new ATOM 702 N GLY A 49 10.305 -6.067 -4.934 1.00 0.00 N ATOM 703 CA GLY A 49 11.014 -5.435 -6.031 1.00 0.00 C ATOM 704 C GLY A 49 10.078 -4.920 -7.106 1.00 0.00 C ATOM 705 O GLY A 49 10.496 -4.677 -8.239 1.00 0.00 O ATOM 0 H GLY A 49 10.185 -5.482 -4.108 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.610 -4.608 -5.646 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.709 -6.151 -6.471 1.00 0.00 H new ATOM 709 N HIS A 50 8.808 -4.753 -6.753 1.00 0.00 N ATOM 710 CA HIS A 50 7.809 -4.264 -7.697 1.00 0.00 C ATOM 711 C HIS A 50 7.303 -2.885 -7.287 1.00 0.00 C ATOM 712 O HIS A 50 6.804 -2.701 -6.177 1.00 0.00 O ATOM 713 CB HIS A 50 6.639 -5.244 -7.787 1.00 0.00 C ATOM 714 CG HIS A 50 7.005 -6.560 -8.401 1.00 0.00 C ATOM 715 ND1 HIS A 50 6.962 -6.795 -9.759 1.00 0.00 N ATOM 716 CD2 HIS A 50 7.424 -7.715 -7.834 1.00 0.00 C ATOM 717 CE1 HIS A 50 7.337 -8.038 -10.000 1.00 0.00 C ATOM 718 NE2 HIS A 50 7.624 -8.618 -8.849 1.00 0.00 N ATOM 0 H HIS A 50 8.446 -4.949 -5.820 1.00 0.00 H new ATOM 0 HA HIS A 50 8.280 -4.182 -8.676 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.243 -5.417 -6.786 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.839 -4.789 -8.372 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.573 -7.893 -6.779 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.399 -8.502 -10.973 1.00 0.00 H new ATOM 0 HE2 HIS A 50 7.942 -9.580 -8.733 1.00 0.00 H new ATOM 727 N SER A 51 7.436 -1.919 -8.190 1.00 0.00 N ATOM 728 CA SER A 51 6.996 -0.555 -7.921 1.00 0.00 C ATOM 729 C SER A 51 5.683 -0.256 -8.637 1.00 0.00 C ATOM 730 O SER A 51 5.665 0.025 -9.834 1.00 0.00 O ATOM 731 CB SER A 51 8.068 0.445 -8.358 1.00 0.00 C ATOM 732 OG SER A 51 8.338 0.329 -9.745 1.00 0.00 O ATOM 0 H SER A 51 7.845 -2.056 -9.114 1.00 0.00 H new ATOM 0 HA SER A 51 6.834 -0.457 -6.848 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.738 1.459 -8.132 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.983 0.274 -7.791 1.00 0.00 H new ATOM 0 HG SER A 51 7.494 0.264 -10.238 1.00 0.00 H new ATOM 738 N GLY A 52 4.582 -0.318 -7.893 1.00 0.00 N ATOM 739 CA GLY A 52 3.279 -0.052 -8.472 1.00 0.00 C ATOM 740 C GLY A 52 2.302 0.520 -7.464 1.00 0.00 C ATOM 741 O GLY A 52 2.637 0.690 -6.292 1.00 0.00 O ATOM 0 H GLY A 52 4.570 -0.548 -6.899 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.389 0.645 -9.302 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.872 -0.976 -8.884 1.00 0.00 H new ATOM 745 N PHE A 53 1.090 0.818 -7.921 1.00 0.00 N ATOM 746 CA PHE A 53 0.061 1.377 -7.051 1.00 0.00 C ATOM 747 C PHE A 53 -0.959 0.311 -6.660 1.00 0.00 C ATOM 748 O PHE A 53 -1.319 -0.545 -7.469 1.00 0.00 O ATOM 749 CB PHE A 53 -0.644 2.544 -7.744 1.00 0.00 C ATOM 750 CG PHE A 53 0.235 3.288 -8.708 1.00 0.00 C ATOM 751 CD1 PHE A 53 1.440 3.831 -8.290 1.00 0.00 C ATOM 752 CD2 PHE A 53 -0.143 3.445 -10.032 1.00 0.00 C ATOM 753 CE1 PHE A 53 2.250 4.517 -9.175 1.00 0.00 C ATOM 754 CE2 PHE A 53 0.664 4.130 -10.921 1.00 0.00 C ATOM 755 CZ PHE A 53 1.862 4.666 -10.492 1.00 0.00 C ATOM 0 H PHE A 53 0.796 0.682 -8.888 1.00 0.00 H new ATOM 0 HA PHE A 53 0.545 1.741 -6.145 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.516 2.166 -8.277 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.009 3.238 -6.987 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.749 3.717 -7.262 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.079 3.027 -10.373 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.186 4.936 -8.837 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.358 4.246 -11.950 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.494 5.201 -11.185 1.00 0.00 H new ATOM 765 N PHE A 54 -1.420 0.370 -5.416 1.00 0.00 N ATOM 766 CA PHE A 54 -2.397 -0.590 -4.916 1.00 0.00 C ATOM 767 C PHE A 54 -3.522 0.118 -4.167 1.00 0.00 C ATOM 768 O PHE A 54 -3.354 1.216 -3.637 1.00 0.00 O ATOM 769 CB PHE A 54 -1.719 -1.608 -3.996 1.00 0.00 C ATOM 770 CG PHE A 54 -0.833 -0.982 -2.959 1.00 0.00 C ATOM 771 CD1 PHE A 54 0.360 -0.377 -3.321 1.00 0.00 C ATOM 772 CD2 PHE A 54 -1.192 -0.998 -1.620 1.00 0.00 C ATOM 773 CE1 PHE A 54 1.178 0.201 -2.368 1.00 0.00 C ATOM 774 CE2 PHE A 54 -0.379 -0.421 -0.664 1.00 0.00 C ATOM 775 CZ PHE A 54 0.808 0.178 -1.038 1.00 0.00 C ATOM 0 H PHE A 54 -1.133 1.073 -4.735 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.826 -1.112 -5.771 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.485 -2.202 -3.497 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.127 -2.295 -4.601 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.654 -0.357 -4.360 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.118 -1.467 -1.321 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.105 0.670 -2.663 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.671 -0.438 0.376 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.446 0.628 -0.291 1.00 0.00 H new ATOM 785 N PRO A 55 -4.699 -0.524 -4.124 1.00 0.00 N ATOM 786 CA PRO A 55 -5.876 0.025 -3.443 1.00 0.00 C ATOM 787 C PRO A 55 -5.715 0.038 -1.927 1.00 0.00 C ATOM 788 O PRO A 55 -4.979 -0.774 -1.365 1.00 0.00 O ATOM 789 CB PRO A 55 -7.000 -0.929 -3.854 1.00 0.00 C ATOM 790 CG PRO A 55 -6.312 -2.212 -4.167 1.00 0.00 C ATOM 791 CD PRO A 55 -4.971 -1.836 -4.734 1.00 0.00 C ATOM 0 HA PRO A 55 -6.059 1.064 -3.718 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.726 -1.055 -3.051 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.544 -0.550 -4.719 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.199 -2.823 -3.271 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.888 -2.799 -4.883 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.205 -2.567 -4.474 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.997 -1.776 -5.822 1.00 0.00 H new ATOM 799 N ILE A 56 -6.407 0.963 -1.271 1.00 0.00 N ATOM 800 CA ILE A 56 -6.342 1.080 0.180 1.00 0.00 C ATOM 801 C ILE A 56 -7.487 0.323 0.845 1.00 0.00 C ATOM 802 O ILE A 56 -7.343 -0.194 1.951 1.00 0.00 O ATOM 803 CB ILE A 56 -6.386 2.553 0.629 1.00 0.00 C ATOM 804 CG1 ILE A 56 -5.251 3.342 -0.025 1.00 0.00 C ATOM 805 CG2 ILE A 56 -6.299 2.647 2.145 1.00 0.00 C ATOM 806 CD1 ILE A 56 -5.387 4.840 0.133 1.00 0.00 C ATOM 0 H ILE A 56 -7.020 1.643 -1.722 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.393 0.643 0.489 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.334 2.986 0.311 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.302 3.024 0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -5.215 3.099 -1.087 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.331 3.694 2.447 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.139 2.114 2.591 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.364 2.200 2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.548 5.335 -0.355 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.319 5.171 -0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.392 5.095 1.193 1.00 0.00 H new ATOM 818 N ASN A 57 -8.624 0.261 0.160 1.00 0.00 N ATOM 819 CA ASN A 57 -9.794 -0.434 0.683 1.00 0.00 C ATOM 820 C ASN A 57 -9.471 -1.896 0.979 1.00 0.00 C ATOM 821 O ASN A 57 -10.241 -2.590 1.644 1.00 0.00 O ATOM 822 CB ASN A 57 -10.952 -0.348 -0.313 1.00 0.00 C ATOM 823 CG ASN A 57 -12.306 -0.434 0.365 1.00 0.00 C ATOM 824 OD1 ASN A 57 -12.751 0.516 1.009 1.00 0.00 O ATOM 825 ND2 ASN A 57 -12.968 -1.576 0.222 1.00 0.00 N ATOM 0 H ASN A 57 -8.760 0.684 -0.758 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.088 0.051 1.614 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.884 0.590 -0.865 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.862 -1.154 -1.041 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.884 -1.692 0.655 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.560 -2.337 -0.321 1.00 0.00 H new ATOM 832 N TYR A 58 -8.329 -2.356 0.482 1.00 0.00 N ATOM 833 CA TYR A 58 -7.904 -3.735 0.692 1.00 0.00 C ATOM 834 C TYR A 58 -6.849 -3.819 1.791 1.00 0.00 C ATOM 835 O TYR A 58 -6.827 -4.767 2.576 1.00 0.00 O ATOM 836 CB TYR A 58 -7.352 -4.324 -0.607 1.00 0.00 C ATOM 837 CG TYR A 58 -8.414 -4.921 -1.501 1.00 0.00 C ATOM 838 CD1 TYR A 58 -9.074 -6.091 -1.144 1.00 0.00 C ATOM 839 CD2 TYR A 58 -8.760 -4.316 -2.703 1.00 0.00 C ATOM 840 CE1 TYR A 58 -10.045 -6.641 -1.958 1.00 0.00 C ATOM 841 CE2 TYR A 58 -9.731 -4.858 -3.523 1.00 0.00 C ATOM 842 CZ TYR A 58 -10.370 -6.021 -3.146 1.00 0.00 C ATOM 843 OH TYR A 58 -11.338 -6.564 -3.959 1.00 0.00 O ATOM 0 H TYR A 58 -7.680 -1.794 -0.069 1.00 0.00 H new ATOM 0 HA TYR A 58 -8.774 -4.313 1.004 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.825 -3.543 -1.155 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.619 -5.093 -0.364 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.823 -6.579 -0.214 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.261 -3.406 -3.002 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.547 -7.552 -1.666 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.988 -4.374 -4.454 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.447 -6.005 -4.756 1.00 0.00 H new ATOM 853 N VAL A 59 -5.975 -2.819 1.841 1.00 0.00 N ATOM 854 CA VAL A 59 -4.917 -2.777 2.843 1.00 0.00 C ATOM 855 C VAL A 59 -5.173 -1.676 3.866 1.00 0.00 C ATOM 856 O VAL A 59 -5.529 -0.554 3.508 1.00 0.00 O ATOM 857 CB VAL A 59 -3.538 -2.551 2.196 1.00 0.00 C ATOM 858 CG1 VAL A 59 -3.393 -3.396 0.940 1.00 0.00 C ATOM 859 CG2 VAL A 59 -3.332 -1.077 1.883 1.00 0.00 C ATOM 0 H VAL A 59 -5.979 -2.027 1.199 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.919 -3.744 3.346 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.769 -2.860 2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.412 -3.223 0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.494 -4.450 1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.168 -3.121 0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.352 -0.935 1.426 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.106 -0.740 1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.390 -0.498 2.805 1.00 0.00 H new ATOM 869 N GLU A 60 -4.988 -2.005 5.141 1.00 0.00 N ATOM 870 CA GLU A 60 -5.199 -1.043 6.216 1.00 0.00 C ATOM 871 C GLU A 60 -3.896 -0.334 6.576 1.00 0.00 C ATOM 872 O GLU A 60 -2.848 -0.967 6.701 1.00 0.00 O ATOM 873 CB GLU A 60 -5.770 -1.742 7.451 1.00 0.00 C ATOM 874 CG GLU A 60 -6.646 -0.844 8.309 1.00 0.00 C ATOM 875 CD GLU A 60 -5.898 0.363 8.842 1.00 0.00 C ATOM 876 OE1 GLU A 60 -5.056 0.187 9.747 1.00 0.00 O ATOM 877 OE2 GLU A 60 -6.155 1.483 8.354 1.00 0.00 O ATOM 0 H GLU A 60 -4.693 -2.930 5.454 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.913 -0.298 5.866 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.353 -2.606 7.132 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.947 -2.119 8.058 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.500 -0.507 7.722 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.042 -1.420 9.145 1.00 0.00 H new ATOM 884 N ILE A 61 -3.972 0.982 6.740 1.00 0.00 N ATOM 885 CA ILE A 61 -2.800 1.777 7.086 1.00 0.00 C ATOM 886 C ILE A 61 -2.591 1.821 8.595 1.00 0.00 C ATOM 887 O ILE A 61 -3.391 2.406 9.327 1.00 0.00 O ATOM 888 CB ILE A 61 -2.919 3.217 6.553 1.00 0.00 C ATOM 889 CG1 ILE A 61 -2.846 3.227 5.025 1.00 0.00 C ATOM 890 CG2 ILE A 61 -1.826 4.093 7.147 1.00 0.00 C ATOM 891 CD1 ILE A 61 -1.692 2.421 4.470 1.00 0.00 C ATOM 0 H ILE A 61 -4.832 1.520 6.639 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.942 1.295 6.617 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.886 3.621 6.854 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.780 2.835 4.622 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.758 4.257 4.680 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.923 5.108 6.761 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.921 4.107 8.233 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.850 3.693 6.873 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.702 2.473 3.381 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.752 2.827 4.844 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.789 1.382 4.785 1.00 0.00 H new ATOM 903 N LEU A 62 -1.511 1.200 9.056 1.00 0.00 N ATOM 904 CA LEU A 62 -1.195 1.169 10.480 1.00 0.00 C ATOM 905 C LEU A 62 -0.411 2.412 10.890 1.00 0.00 C ATOM 906 O LEU A 62 -0.653 2.989 11.951 1.00 0.00 O ATOM 907 CB LEU A 62 -0.392 -0.089 10.817 1.00 0.00 C ATOM 908 CG LEU A 62 -0.990 -1.414 10.344 1.00 0.00 C ATOM 909 CD1 LEU A 62 0.008 -2.546 10.527 1.00 0.00 C ATOM 910 CD2 LEU A 62 -2.282 -1.713 11.090 1.00 0.00 C ATOM 0 H LEU A 62 -0.839 0.711 8.464 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.133 1.153 11.036 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.603 0.013 10.384 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.266 -0.136 11.899 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.219 -1.328 9.282 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.436 -3.481 10.185 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.906 -2.337 9.946 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.270 -2.633 11.581 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.693 -2.660 10.740 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.078 -1.779 12.159 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.001 -0.915 10.906 1.00 0.00 H new ATOM 922 N VAL A 63 0.528 2.820 10.043 1.00 0.00 N ATOM 923 CA VAL A 63 1.346 3.996 10.316 1.00 0.00 C ATOM 924 C VAL A 63 1.099 5.088 9.281 1.00 0.00 C ATOM 925 O VAL A 63 1.498 4.963 8.124 1.00 0.00 O ATOM 926 CB VAL A 63 2.846 3.646 10.330 1.00 0.00 C ATOM 927 CG1 VAL A 63 3.685 4.902 10.503 1.00 0.00 C ATOM 928 CG2 VAL A 63 3.147 2.638 11.428 1.00 0.00 C ATOM 0 H VAL A 63 0.742 2.353 9.161 1.00 0.00 H new ATOM 0 HA VAL A 63 1.057 4.361 11.302 1.00 0.00 H new ATOM 0 HB VAL A 63 3.105 3.194 9.373 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.742 4.635 10.511 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.489 5.587 9.678 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.426 5.386 11.445 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.211 2.402 11.424 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.873 3.060 12.395 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.573 1.728 11.254 1.00 0.00 H new ATOM 938 N ALA A 64 0.439 6.160 9.707 1.00 0.00 N ATOM 939 CA ALA A 64 0.142 7.277 8.818 1.00 0.00 C ATOM 940 C ALA A 64 1.422 7.905 8.278 1.00 0.00 C ATOM 941 O ALA A 64 2.331 8.239 9.039 1.00 0.00 O ATOM 942 CB ALA A 64 -0.695 8.320 9.543 1.00 0.00 C ATOM 0 H ALA A 64 0.100 6.279 10.662 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.428 6.894 7.972 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.909 9.148 8.868 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.631 7.870 9.874 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.145 8.690 10.408 1.00 0.00 H new ATOM 948 N LEU A 65 1.488 8.062 6.960 1.00 0.00 N ATOM 949 CA LEU A 65 2.659 8.650 6.318 1.00 0.00 C ATOM 950 C LEU A 65 3.082 9.933 7.026 1.00 0.00 C ATOM 951 O LEU A 65 2.291 10.585 7.708 1.00 0.00 O ATOM 952 CB LEU A 65 2.365 8.940 4.845 1.00 0.00 C ATOM 953 CG LEU A 65 2.558 7.771 3.879 1.00 0.00 C ATOM 954 CD1 LEU A 65 1.668 7.936 2.656 1.00 0.00 C ATOM 955 CD2 LEU A 65 4.018 7.656 3.466 1.00 0.00 C ATOM 0 H LEU A 65 0.745 7.791 6.316 1.00 0.00 H new ATOM 0 HA LEU A 65 3.478 7.934 6.385 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.335 9.287 4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.005 9.761 4.522 1.00 0.00 H new ATOM 0 HG LEU A 65 2.272 6.852 4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.819 7.095 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.624 7.968 2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.922 8.864 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.137 6.819 2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.330 8.577 2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.634 7.490 4.350 1.00 0.00 H new ATOM 967 N PRO A 66 4.360 10.306 6.861 1.00 0.00 N ATOM 968 CA PRO A 66 4.917 11.515 7.474 1.00 0.00 C ATOM 969 C PRO A 66 4.361 12.791 6.850 1.00 0.00 C ATOM 970 O PRO A 66 4.761 13.897 7.213 1.00 0.00 O ATOM 971 CB PRO A 66 6.417 11.395 7.198 1.00 0.00 C ATOM 972 CG PRO A 66 6.510 10.540 5.981 1.00 0.00 C ATOM 973 CD PRO A 66 5.359 9.577 6.062 1.00 0.00 C ATOM 0 HA PRO A 66 4.669 11.585 8.533 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.868 12.373 7.030 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.940 10.943 8.041 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.451 11.143 5.075 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.461 10.009 5.949 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.976 9.324 5.073 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.651 8.642 6.539 1.00 0.00 H new ATOM 981 N HIS A 67 3.435 12.629 5.910 1.00 0.00 N ATOM 982 CA HIS A 67 2.822 13.769 5.236 1.00 0.00 C ATOM 983 C HIS A 67 1.901 14.530 6.185 1.00 0.00 C ATOM 984 O HIS A 67 1.155 13.928 6.957 1.00 0.00 O ATOM 985 CB HIS A 67 2.038 13.302 4.010 1.00 0.00 C ATOM 986 CG HIS A 67 0.922 14.224 3.626 1.00 0.00 C ATOM 987 ND1 HIS A 67 -0.409 13.876 3.724 1.00 0.00 N ATOM 988 CD2 HIS A 67 0.945 15.488 3.142 1.00 0.00 C ATOM 989 CE1 HIS A 67 -1.156 14.886 3.316 1.00 0.00 C ATOM 990 NE2 HIS A 67 -0.360 15.876 2.958 1.00 0.00 N ATOM 0 H HIS A 67 3.093 11.720 5.598 1.00 0.00 H new ATOM 0 HA HIS A 67 3.618 14.441 4.914 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.722 13.203 3.167 1.00 0.00 H new ATOM 0 HB3 HIS A 67 1.628 12.311 4.207 1.00 0.00 H new ATOM 0 HD2 HIS A 67 1.825 16.081 2.939 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.235 14.899 3.281 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -0.664 16.782 2.602 1.00 0.00 H new ATOM 999 N SER A 68 1.959 15.856 6.121 1.00 0.00 N ATOM 1000 CA SER A 68 1.132 16.699 6.977 1.00 0.00 C ATOM 1001 C SER A 68 0.999 18.102 6.392 1.00 0.00 C ATOM 1002 O SER A 68 1.994 18.751 6.073 1.00 0.00 O ATOM 1003 CB SER A 68 1.730 16.776 8.383 1.00 0.00 C ATOM 1004 OG SER A 68 0.885 17.503 9.258 1.00 0.00 O ATOM 0 H SER A 68 2.570 16.370 5.486 1.00 0.00 H new ATOM 0 HA SER A 68 0.139 16.252 7.035 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.882 15.769 8.772 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.709 17.252 8.339 1.00 0.00 H new ATOM 0 HG SER A 68 1.289 17.536 10.150 1.00 0.00 H new ATOM 1010 N GLY A 69 -0.241 18.563 6.254 1.00 0.00 N ATOM 1011 CA GLY A 69 -0.484 19.886 5.707 1.00 0.00 C ATOM 1012 C GLY A 69 -1.135 20.817 6.710 1.00 0.00 C ATOM 1013 O GLY A 69 -0.464 21.497 7.485 1.00 0.00 O ATOM 0 H GLY A 69 -1.081 18.044 6.511 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.460 20.318 5.375 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.122 19.801 4.828 1.00 0.00 H new ATOM 1017 N PRO A 70 -2.476 20.857 6.701 1.00 0.00 N ATOM 1018 CA PRO A 70 -3.248 21.709 7.610 1.00 0.00 C ATOM 1019 C PRO A 70 -3.174 21.231 9.056 1.00 0.00 C ATOM 1020 O PRO A 70 -3.150 20.029 9.322 1.00 0.00 O ATOM 1021 CB PRO A 70 -4.679 21.588 7.080 1.00 0.00 C ATOM 1022 CG PRO A 70 -4.715 20.273 6.383 1.00 0.00 C ATOM 1023 CD PRO A 70 -3.341 20.073 5.804 1.00 0.00 C ATOM 0 HA PRO A 70 -2.871 22.731 7.629 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -5.406 21.626 7.891 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.919 22.404 6.398 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.967 19.471 7.076 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.473 20.267 5.600 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.059 19.020 5.793 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -3.282 20.430 4.776 1.00 0.00 H new ATOM 1031 N SER A 71 -3.138 22.179 9.987 1.00 0.00 N ATOM 1032 CA SER A 71 -3.063 21.854 11.407 1.00 0.00 C ATOM 1033 C SER A 71 -4.361 22.226 12.118 1.00 0.00 C ATOM 1034 O SER A 71 -5.272 22.792 11.515 1.00 0.00 O ATOM 1035 CB SER A 71 -1.885 22.582 12.057 1.00 0.00 C ATOM 1036 OG SER A 71 -0.653 21.982 11.695 1.00 0.00 O ATOM 0 H SER A 71 -3.160 23.178 9.784 1.00 0.00 H new ATOM 0 HA SER A 71 -2.912 20.779 11.501 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.887 23.628 11.752 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.997 22.566 13.141 1.00 0.00 H new ATOM 0 HG SER A 71 0.085 22.466 12.122 1.00 0.00 H new ATOM 1042 N SER A 72 -4.436 21.904 13.406 1.00 0.00 N ATOM 1043 CA SER A 72 -5.622 22.200 14.200 1.00 0.00 C ATOM 1044 C SER A 72 -5.540 23.602 14.797 1.00 0.00 C ATOM 1045 O SER A 72 -4.517 24.276 14.689 1.00 0.00 O ATOM 1046 CB SER A 72 -5.785 21.167 15.317 1.00 0.00 C ATOM 1047 OG SER A 72 -4.908 21.440 16.396 1.00 0.00 O ATOM 0 H SER A 72 -3.689 21.438 13.921 1.00 0.00 H new ATOM 0 HA SER A 72 -6.490 22.154 13.542 1.00 0.00 H new ATOM 0 HB2 SER A 72 -6.816 21.170 15.672 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.586 20.169 14.926 1.00 0.00 H new ATOM 0 HG SER A 72 -5.033 20.767 17.097 1.00 0.00 H new ATOM 1053 N GLY A 73 -6.628 24.035 15.427 1.00 0.00 N ATOM 1054 CA GLY A 73 -6.660 25.354 16.032 1.00 0.00 C ATOM 1055 C GLY A 73 -7.345 26.379 15.151 1.00 0.00 C ATOM 1056 O GLY A 73 -7.627 27.494 15.589 1.00 0.00 O ATOM 0 H GLY A 73 -7.488 23.496 15.529 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.178 25.299 16.990 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.641 25.680 16.239 1.00 0.00 H new TER 1060 GLY A 73