USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 494 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+ -126:sc= 0.105 (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 34:sc= 0.791 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -49:sc= 0.425 USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.115 USER MOD Single : A 37 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-2.4!) USER MOD Single : A 39 SER OG : rot -49:sc= 0.992 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0647 X(o=-0.065,f=-0.065) USER MOD Single : A 44 TYR OH : rot 25:sc= -1.3 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0899 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 30:sc= 0.401 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 18:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.024 20.864 31.876 1.00 0.00 N ATOM 2 CA GLY A 1 -4.104 20.605 30.942 1.00 0.00 C ATOM 3 C GLY A 1 -3.883 21.276 29.600 1.00 0.00 C ATOM 4 O GLY A 1 -2.842 21.892 29.371 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.654 19.962 32.238 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.263 21.381 31.392 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.380 21.435 32.669 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.203 19.530 30.795 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.043 20.956 31.370 1.00 0.00 H new ATOM 8 N SER A 2 -4.863 21.154 28.711 1.00 0.00 N ATOM 9 CA SER A 2 -4.769 21.748 27.383 1.00 0.00 C ATOM 10 C SER A 2 -6.105 21.659 26.652 1.00 0.00 C ATOM 11 O SER A 2 -6.904 20.757 26.903 1.00 0.00 O ATOM 12 CB SER A 2 -3.679 21.052 26.566 1.00 0.00 C ATOM 13 OG SER A 2 -3.146 21.921 25.582 1.00 0.00 O ATOM 0 H SER A 2 -5.732 20.649 28.886 1.00 0.00 H new ATOM 0 HA SER A 2 -4.509 22.800 27.500 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.882 20.716 27.229 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.091 20.164 26.087 1.00 0.00 H new ATOM 0 HG SER A 2 -2.450 21.453 25.075 1.00 0.00 H new ATOM 19 N SER A 3 -6.340 22.603 25.745 1.00 0.00 N ATOM 20 CA SER A 3 -7.580 22.634 24.979 1.00 0.00 C ATOM 21 C SER A 3 -7.447 21.819 23.696 1.00 0.00 C ATOM 22 O SER A 3 -6.373 21.749 23.100 1.00 0.00 O ATOM 23 CB SER A 3 -7.960 24.077 24.642 1.00 0.00 C ATOM 24 OG SER A 3 -9.267 24.147 24.098 1.00 0.00 O ATOM 0 H SER A 3 -5.688 23.356 25.523 1.00 0.00 H new ATOM 0 HA SER A 3 -8.367 22.191 25.590 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.904 24.691 25.541 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.244 24.488 23.930 1.00 0.00 H new ATOM 0 HG SER A 3 -9.486 25.080 23.893 1.00 0.00 H new ATOM 30 N GLY A 4 -8.548 21.202 23.277 1.00 0.00 N ATOM 31 CA GLY A 4 -8.535 20.399 22.068 1.00 0.00 C ATOM 32 C GLY A 4 -9.695 20.719 21.147 1.00 0.00 C ATOM 33 O GLY A 4 -10.497 21.608 21.433 1.00 0.00 O ATOM 0 H GLY A 4 -9.449 21.244 23.753 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.597 20.563 21.537 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.569 19.343 22.336 1.00 0.00 H new ATOM 37 N SER A 5 -9.785 19.992 20.038 1.00 0.00 N ATOM 38 CA SER A 5 -10.854 20.207 19.068 1.00 0.00 C ATOM 39 C SER A 5 -11.995 19.219 19.290 1.00 0.00 C ATOM 40 O SER A 5 -11.842 18.227 20.002 1.00 0.00 O ATOM 41 CB SER A 5 -10.313 20.068 17.643 1.00 0.00 C ATOM 42 OG SER A 5 -10.028 18.715 17.336 1.00 0.00 O ATOM 0 H SER A 5 -9.132 19.250 19.788 1.00 0.00 H new ATOM 0 HA SER A 5 -11.240 21.217 19.206 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.043 20.459 16.934 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.409 20.667 17.534 1.00 0.00 H new ATOM 0 HG SER A 5 -9.686 18.653 16.420 1.00 0.00 H new ATOM 48 N SER A 6 -13.139 19.498 18.674 1.00 0.00 N ATOM 49 CA SER A 6 -14.309 18.637 18.807 1.00 0.00 C ATOM 50 C SER A 6 -15.206 18.747 17.577 1.00 0.00 C ATOM 51 O SER A 6 -15.815 19.786 17.330 1.00 0.00 O ATOM 52 CB SER A 6 -15.100 19.005 20.063 1.00 0.00 C ATOM 53 OG SER A 6 -15.618 20.321 19.973 1.00 0.00 O ATOM 0 H SER A 6 -13.281 20.313 18.078 1.00 0.00 H new ATOM 0 HA SER A 6 -13.963 17.607 18.893 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.918 18.298 20.202 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.456 18.923 20.939 1.00 0.00 H new ATOM 0 HG SER A 6 -15.851 20.518 19.042 1.00 0.00 H new ATOM 59 N GLY A 7 -15.280 17.664 16.809 1.00 0.00 N ATOM 60 CA GLY A 7 -16.104 17.658 15.614 1.00 0.00 C ATOM 61 C GLY A 7 -16.341 16.259 15.080 1.00 0.00 C ATOM 62 O GLY A 7 -16.697 15.353 15.833 1.00 0.00 O ATOM 0 H GLY A 7 -14.785 16.792 16.993 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.063 18.126 15.835 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.625 18.262 14.843 1.00 0.00 H new ATOM 66 N MET A 8 -16.145 16.084 13.778 1.00 0.00 N ATOM 67 CA MET A 8 -16.340 14.785 13.144 1.00 0.00 C ATOM 68 C MET A 8 -15.095 13.916 13.291 1.00 0.00 C ATOM 69 O MET A 8 -13.965 14.403 13.290 1.00 0.00 O ATOM 70 CB MET A 8 -16.680 14.962 11.663 1.00 0.00 C ATOM 71 CG MET A 8 -18.140 15.302 11.412 1.00 0.00 C ATOM 72 SD MET A 8 -18.461 17.075 11.470 1.00 0.00 S ATOM 73 CE MET A 8 -19.647 17.249 10.140 1.00 0.00 C ATOM 0 H MET A 8 -15.851 16.825 13.141 1.00 0.00 H new ATOM 0 HA MET A 8 -17.171 14.286 13.643 1.00 0.00 H new ATOM 0 HB2 MET A 8 -16.055 15.752 11.247 1.00 0.00 H new ATOM 0 HB3 MET A 8 -16.432 14.044 11.129 1.00 0.00 H new ATOM 0 HG2 MET A 8 -18.437 14.915 10.437 1.00 0.00 H new ATOM 0 HG3 MET A 8 -18.759 14.800 12.156 1.00 0.00 H new ATOM 0 HE1 MET A 8 -19.943 18.294 10.051 1.00 0.00 H new ATOM 0 HE2 MET A 8 -19.196 16.919 9.204 1.00 0.00 H new ATOM 0 HE3 MET A 8 -20.525 16.640 10.354 1.00 0.00 H new ATOM 83 N PRO A 9 -15.305 12.597 13.422 1.00 0.00 N ATOM 84 CA PRO A 9 -14.211 11.633 13.572 1.00 0.00 C ATOM 85 C PRO A 9 -13.396 11.476 12.293 1.00 0.00 C ATOM 86 O PRO A 9 -13.810 10.782 11.364 1.00 0.00 O ATOM 87 CB PRO A 9 -14.934 10.326 13.909 1.00 0.00 C ATOM 88 CG PRO A 9 -16.294 10.484 13.323 1.00 0.00 C ATOM 89 CD PRO A 9 -16.626 11.946 13.432 1.00 0.00 C ATOM 0 HA PRO A 9 -13.493 11.947 14.329 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.417 9.466 13.483 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.983 10.167 14.986 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.311 10.157 12.283 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -17.023 9.877 13.860 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -17.245 12.281 12.600 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -17.176 12.166 14.347 1.00 0.00 H new ATOM 97 N SER A 10 -12.237 12.125 12.251 1.00 0.00 N ATOM 98 CA SER A 10 -11.366 12.060 11.084 1.00 0.00 C ATOM 99 C SER A 10 -10.488 10.813 11.130 1.00 0.00 C ATOM 100 O SER A 10 -9.688 10.637 12.048 1.00 0.00 O ATOM 101 CB SER A 10 -10.490 13.311 11.005 1.00 0.00 C ATOM 102 OG SER A 10 -9.852 13.408 9.743 1.00 0.00 O ATOM 0 H SER A 10 -11.879 12.702 13.012 1.00 0.00 H new ATOM 0 HA SER A 10 -11.994 12.008 10.195 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.100 14.198 11.177 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.739 13.283 11.795 1.00 0.00 H new ATOM 0 HG SER A 10 -9.299 14.217 9.717 1.00 0.00 H new ATOM 108 N ARG A 11 -10.645 9.949 10.131 1.00 0.00 N ATOM 109 CA ARG A 11 -9.869 8.717 10.058 1.00 0.00 C ATOM 110 C ARG A 11 -8.512 8.968 9.405 1.00 0.00 C ATOM 111 O ARG A 11 -8.425 9.597 8.350 1.00 0.00 O ATOM 112 CB ARG A 11 -10.636 7.652 9.272 1.00 0.00 C ATOM 113 CG ARG A 11 -9.958 6.292 9.269 1.00 0.00 C ATOM 114 CD ARG A 11 -10.419 5.438 10.440 1.00 0.00 C ATOM 115 NE ARG A 11 -9.990 5.990 11.722 1.00 0.00 N ATOM 116 CZ ARG A 11 -8.722 6.035 12.116 1.00 0.00 C ATOM 117 NH1 ARG A 11 -7.764 5.563 11.331 1.00 0.00 N ATOM 118 NH2 ARG A 11 -8.411 6.553 13.297 1.00 0.00 N ATOM 0 H ARG A 11 -11.302 10.080 9.362 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.704 8.360 11.074 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.635 7.550 9.695 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.759 7.990 8.243 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.176 5.777 8.333 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.877 6.423 9.316 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.506 5.359 10.425 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.024 4.428 10.330 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.703 6.361 12.350 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.000 5.164 10.422 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.791 5.599 11.636 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.146 6.917 13.904 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.437 6.587 13.598 1.00 0.00 H new ATOM 132 N LYS A 12 -7.456 8.472 10.040 1.00 0.00 N ATOM 133 CA LYS A 12 -6.103 8.641 9.522 1.00 0.00 C ATOM 134 C LYS A 12 -6.061 8.390 8.018 1.00 0.00 C ATOM 135 O LYS A 12 -5.282 9.013 7.297 1.00 0.00 O ATOM 136 CB LYS A 12 -5.140 7.690 10.236 1.00 0.00 C ATOM 137 CG LYS A 12 -4.665 8.204 11.584 1.00 0.00 C ATOM 138 CD LYS A 12 -3.717 7.222 12.253 1.00 0.00 C ATOM 139 CE LYS A 12 -2.290 7.402 11.761 1.00 0.00 C ATOM 140 NZ LYS A 12 -1.445 6.213 12.061 1.00 0.00 N ATOM 0 H LYS A 12 -7.511 7.950 10.914 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.794 9.669 9.709 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.631 6.727 10.376 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.274 7.516 9.597 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.164 9.163 11.453 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.525 8.380 12.231 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.751 7.361 13.334 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.046 6.203 12.052 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.297 7.581 10.686 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.854 8.285 12.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.480 6.376 11.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.418 6.057 13.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.847 5.375 11.594 1.00 0.00 H new ATOM 154 N PHE A 13 -6.904 7.475 7.552 1.00 0.00 N ATOM 155 CA PHE A 13 -6.963 7.143 6.133 1.00 0.00 C ATOM 156 C PHE A 13 -8.391 7.255 5.607 1.00 0.00 C ATOM 157 O PHE A 13 -9.262 6.466 5.972 1.00 0.00 O ATOM 158 CB PHE A 13 -6.431 5.728 5.896 1.00 0.00 C ATOM 159 CG PHE A 13 -5.179 5.422 6.668 1.00 0.00 C ATOM 160 CD1 PHE A 13 -4.013 6.133 6.432 1.00 0.00 C ATOM 161 CD2 PHE A 13 -5.168 4.425 7.629 1.00 0.00 C ATOM 162 CE1 PHE A 13 -2.859 5.852 7.140 1.00 0.00 C ATOM 163 CE2 PHE A 13 -4.018 4.140 8.341 1.00 0.00 C ATOM 164 CZ PHE A 13 -2.862 4.856 8.097 1.00 0.00 C ATOM 0 H PHE A 13 -7.555 6.950 8.136 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.338 7.854 5.593 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.202 5.008 6.169 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.234 5.596 4.832 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.006 6.915 5.687 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.069 3.863 7.825 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.956 6.411 6.945 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.023 3.359 9.087 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.963 4.637 8.653 1.00 0.00 H new ATOM 174 N ALA A 14 -8.623 8.242 4.748 1.00 0.00 N ATOM 175 CA ALA A 14 -9.944 8.458 4.170 1.00 0.00 C ATOM 176 C ALA A 14 -10.377 7.262 3.329 1.00 0.00 C ATOM 177 O ALA A 14 -9.543 6.499 2.842 1.00 0.00 O ATOM 178 CB ALA A 14 -9.952 9.727 3.330 1.00 0.00 C ATOM 0 H ALA A 14 -7.913 8.905 4.437 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.657 8.572 4.987 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.945 9.876 2.905 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.695 10.580 3.957 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.223 9.635 2.525 1.00 0.00 H new ATOM 184 N ASP A 15 -11.686 7.104 3.164 1.00 0.00 N ATOM 185 CA ASP A 15 -12.230 6.001 2.381 1.00 0.00 C ATOM 186 C ASP A 15 -11.982 6.217 0.891 1.00 0.00 C ATOM 187 O ASP A 15 -12.524 7.143 0.290 1.00 0.00 O ATOM 188 CB ASP A 15 -13.729 5.850 2.645 1.00 0.00 C ATOM 189 CG ASP A 15 -14.029 5.474 4.082 1.00 0.00 C ATOM 190 OD1 ASP A 15 -13.557 6.187 4.994 1.00 0.00 O ATOM 191 OD2 ASP A 15 -14.736 4.468 4.297 1.00 0.00 O ATOM 0 H ASP A 15 -12.390 7.726 3.562 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.722 5.086 2.686 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.233 6.786 2.405 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.137 5.088 1.981 1.00 0.00 H new ATOM 196 N GLY A 16 -11.158 5.355 0.302 1.00 0.00 N ATOM 197 CA GLY A 16 -10.852 5.470 -1.112 1.00 0.00 C ATOM 198 C GLY A 16 -9.576 6.248 -1.368 1.00 0.00 C ATOM 199 O GLY A 16 -9.312 6.665 -2.495 1.00 0.00 O ATOM 0 H GLY A 16 -10.697 4.580 0.779 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.759 4.473 -1.543 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.681 5.961 -1.621 1.00 0.00 H new ATOM 203 N GLU A 17 -8.784 6.444 -0.318 1.00 0.00 N ATOM 204 CA GLU A 17 -7.531 7.179 -0.435 1.00 0.00 C ATOM 205 C GLU A 17 -6.390 6.249 -0.837 1.00 0.00 C ATOM 206 O GLU A 17 -6.335 5.095 -0.411 1.00 0.00 O ATOM 207 CB GLU A 17 -7.195 7.874 0.886 1.00 0.00 C ATOM 208 CG GLU A 17 -6.369 9.137 0.718 1.00 0.00 C ATOM 209 CD GLU A 17 -7.118 10.230 -0.021 1.00 0.00 C ATOM 210 OE1 GLU A 17 -8.365 10.186 -0.041 1.00 0.00 O ATOM 211 OE2 GLU A 17 -6.455 11.128 -0.581 1.00 0.00 O ATOM 0 H GLU A 17 -8.988 6.104 0.622 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.654 7.933 -1.213 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.123 8.123 1.402 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.652 7.178 1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.072 9.505 1.700 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.454 8.899 0.176 1.00 0.00 H new ATOM 218 N VAL A 18 -5.480 6.759 -1.661 1.00 0.00 N ATOM 219 CA VAL A 18 -4.340 5.976 -2.121 1.00 0.00 C ATOM 220 C VAL A 18 -3.151 6.129 -1.179 1.00 0.00 C ATOM 221 O VAL A 18 -2.336 7.038 -1.335 1.00 0.00 O ATOM 222 CB VAL A 18 -3.912 6.388 -3.542 1.00 0.00 C ATOM 223 CG1 VAL A 18 -2.692 5.594 -3.984 1.00 0.00 C ATOM 224 CG2 VAL A 18 -5.062 6.203 -4.520 1.00 0.00 C ATOM 0 H VAL A 18 -5.511 7.712 -2.024 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.657 4.933 -2.133 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.643 7.444 -3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.404 5.899 -4.990 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.867 5.783 -3.298 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.930 4.530 -3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.741 6.499 -5.519 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.365 5.156 -4.532 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.905 6.821 -4.211 1.00 0.00 H new ATOM 234 N VAL A 19 -3.059 5.234 -0.201 1.00 0.00 N ATOM 235 CA VAL A 19 -1.969 5.269 0.767 1.00 0.00 C ATOM 236 C VAL A 19 -1.024 4.088 0.573 1.00 0.00 C ATOM 237 O VAL A 19 -1.179 3.304 -0.363 1.00 0.00 O ATOM 238 CB VAL A 19 -2.500 5.255 2.212 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.302 6.515 2.499 1.00 0.00 C ATOM 240 CG2 VAL A 19 -3.341 4.011 2.458 1.00 0.00 C ATOM 0 H VAL A 19 -3.726 4.476 -0.058 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.425 6.198 0.597 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.649 5.232 2.893 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.669 6.487 3.525 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.666 7.390 2.365 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.147 6.573 1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.708 4.017 3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.186 4.001 1.770 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.732 3.122 2.296 1.00 0.00 H new ATOM 250 N ARG A 20 -0.045 3.968 1.464 1.00 0.00 N ATOM 251 CA ARG A 20 0.926 2.883 1.390 1.00 0.00 C ATOM 252 C ARG A 20 0.706 1.879 2.518 1.00 0.00 C ATOM 253 O ARG A 20 0.590 2.256 3.684 1.00 0.00 O ATOM 254 CB ARG A 20 2.350 3.439 1.458 1.00 0.00 C ATOM 255 CG ARG A 20 2.659 4.455 0.371 1.00 0.00 C ATOM 256 CD ARG A 20 4.156 4.578 0.133 1.00 0.00 C ATOM 257 NE ARG A 20 4.465 5.551 -0.911 1.00 0.00 N ATOM 258 CZ ARG A 20 4.430 5.273 -2.209 1.00 0.00 C ATOM 259 NH1 ARG A 20 4.100 4.057 -2.621 1.00 0.00 N ATOM 260 NH2 ARG A 20 4.725 6.212 -3.099 1.00 0.00 N ATOM 0 H ARG A 20 0.097 4.608 2.245 1.00 0.00 H new ATOM 0 HA ARG A 20 0.789 2.370 0.438 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.504 3.903 2.432 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.057 2.613 1.384 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.165 4.160 -0.555 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.253 5.426 0.653 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.648 4.872 1.060 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.560 3.605 -0.147 1.00 0.00 H new ATOM 0 HE ARG A 20 4.722 6.497 -0.628 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.872 3.332 -1.940 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.074 3.846 -3.619 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.979 7.149 -2.786 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.698 5.997 -4.096 1.00 0.00 H new ATOM 274 N GLY A 21 0.649 0.599 2.163 1.00 0.00 N ATOM 275 CA GLY A 21 0.443 -0.438 3.156 1.00 0.00 C ATOM 276 C GLY A 21 1.593 -1.424 3.212 1.00 0.00 C ATOM 277 O GLY A 21 2.194 -1.746 2.187 1.00 0.00 O ATOM 0 H GLY A 21 0.742 0.262 1.205 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.315 0.022 4.136 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.480 -0.973 2.932 1.00 0.00 H new ATOM 281 N ARG A 22 1.901 -1.903 4.413 1.00 0.00 N ATOM 282 CA ARG A 22 2.990 -2.855 4.599 1.00 0.00 C ATOM 283 C ARG A 22 2.491 -4.288 4.441 1.00 0.00 C ATOM 284 O ARG A 22 1.834 -4.829 5.331 1.00 0.00 O ATOM 285 CB ARG A 22 3.623 -2.674 5.980 1.00 0.00 C ATOM 286 CG ARG A 22 4.621 -3.763 6.340 1.00 0.00 C ATOM 287 CD ARG A 22 5.095 -3.631 7.779 1.00 0.00 C ATOM 288 NE ARG A 22 4.054 -3.999 8.734 1.00 0.00 N ATOM 289 CZ ARG A 22 4.304 -4.387 9.980 1.00 0.00 C ATOM 290 NH1 ARG A 22 5.553 -4.457 10.418 1.00 0.00 N ATOM 291 NH2 ARG A 22 3.303 -4.706 10.790 1.00 0.00 N ATOM 0 H ARG A 22 1.412 -1.648 5.271 1.00 0.00 H new ATOM 0 HA ARG A 22 3.742 -2.663 3.834 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.124 -1.707 6.017 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.834 -2.653 6.732 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.162 -4.741 6.195 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.477 -3.710 5.667 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.968 -4.265 7.933 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.410 -2.604 7.964 1.00 0.00 H new ATOM 0 HE ARG A 22 3.082 -3.956 8.428 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.325 -4.213 9.798 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.742 -4.755 11.375 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.341 -4.654 10.456 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.496 -5.004 11.746 1.00 0.00 H new ATOM 305 N TRP A 23 2.806 -4.896 3.303 1.00 0.00 N ATOM 306 CA TRP A 23 2.389 -6.266 3.027 1.00 0.00 C ATOM 307 C TRP A 23 2.443 -7.116 4.292 1.00 0.00 C ATOM 308 O TRP A 23 3.368 -7.014 5.098 1.00 0.00 O ATOM 309 CB TRP A 23 3.276 -6.883 1.945 1.00 0.00 C ATOM 310 CG TRP A 23 2.652 -8.066 1.269 1.00 0.00 C ATOM 311 CD1 TRP A 23 3.001 -9.377 1.424 1.00 0.00 C ATOM 312 CD2 TRP A 23 1.572 -8.045 0.329 1.00 0.00 C ATOM 313 NE1 TRP A 23 2.203 -10.173 0.637 1.00 0.00 N ATOM 314 CE2 TRP A 23 1.317 -9.380 -0.043 1.00 0.00 C ATOM 315 CE3 TRP A 23 0.793 -7.029 -0.232 1.00 0.00 C ATOM 316 CZ2 TRP A 23 0.319 -9.721 -0.951 1.00 0.00 C ATOM 317 CZ3 TRP A 23 -0.197 -7.370 -1.134 1.00 0.00 C ATOM 318 CH2 TRP A 23 -0.428 -8.707 -1.485 1.00 0.00 C ATOM 0 H TRP A 23 3.349 -4.462 2.556 1.00 0.00 H new ATOM 0 HA TRP A 23 1.359 -6.241 2.671 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.504 -6.124 1.196 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.223 -7.186 2.391 1.00 0.00 H new ATOM 0 HD1 TRP A 23 3.788 -9.736 2.070 1.00 0.00 H new ATOM 0 HE1 TRP A 23 2.261 -11.189 0.570 1.00 0.00 H new ATOM 0 HE3 TRP A 23 0.962 -5.996 0.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 0.140 -10.750 -1.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -0.803 -6.593 -1.576 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.211 -8.941 -2.191 1.00 0.00 H new ATOM 329 N PRO A 24 1.430 -7.976 4.472 1.00 0.00 N ATOM 330 CA PRO A 24 1.341 -8.861 5.638 1.00 0.00 C ATOM 331 C PRO A 24 2.398 -9.960 5.613 1.00 0.00 C ATOM 332 O PRO A 24 2.578 -10.683 6.592 1.00 0.00 O ATOM 333 CB PRO A 24 -0.061 -9.465 5.518 1.00 0.00 C ATOM 334 CG PRO A 24 -0.381 -9.394 4.065 1.00 0.00 C ATOM 335 CD PRO A 24 0.293 -8.151 3.553 1.00 0.00 C ATOM 0 HA PRO A 24 1.511 -8.324 6.571 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.081 -10.494 5.878 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.785 -8.906 6.111 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.018 -10.279 3.542 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.458 -9.348 3.904 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.625 -8.270 2.521 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.378 -7.292 3.575 1.00 0.00 H new ATOM 343 N GLY A 25 3.095 -10.080 4.487 1.00 0.00 N ATOM 344 CA GLY A 25 4.126 -11.093 4.357 1.00 0.00 C ATOM 345 C GLY A 25 5.523 -10.509 4.419 1.00 0.00 C ATOM 346 O GLY A 25 6.458 -11.165 4.878 1.00 0.00 O ATOM 0 H GLY A 25 2.964 -9.494 3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.008 -11.831 5.151 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.997 -11.619 3.411 1.00 0.00 H new ATOM 350 N SER A 26 5.667 -9.272 3.955 1.00 0.00 N ATOM 351 CA SER A 26 6.962 -8.601 3.954 1.00 0.00 C ATOM 352 C SER A 26 6.882 -7.264 4.684 1.00 0.00 C ATOM 353 O SER A 26 5.818 -6.865 5.156 1.00 0.00 O ATOM 354 CB SER A 26 7.446 -8.383 2.519 1.00 0.00 C ATOM 355 OG SER A 26 8.862 -8.371 2.455 1.00 0.00 O ATOM 0 H SER A 26 4.903 -8.714 3.575 1.00 0.00 H new ATOM 0 HA SER A 26 7.674 -9.239 4.477 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.056 -9.173 1.876 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.054 -7.440 2.139 1.00 0.00 H new ATOM 0 HG SER A 26 9.146 -8.232 1.528 1.00 0.00 H new ATOM 361 N SER A 27 8.017 -6.577 4.774 1.00 0.00 N ATOM 362 CA SER A 27 8.077 -5.287 5.451 1.00 0.00 C ATOM 363 C SER A 27 8.223 -4.151 4.442 1.00 0.00 C ATOM 364 O SER A 27 8.820 -3.115 4.738 1.00 0.00 O ATOM 365 CB SER A 27 9.245 -5.259 6.439 1.00 0.00 C ATOM 366 OG SER A 27 9.167 -4.128 7.289 1.00 0.00 O ATOM 0 H SER A 27 8.906 -6.892 4.387 1.00 0.00 H new ATOM 0 HA SER A 27 7.144 -5.148 5.998 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.240 -6.169 7.038 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.188 -5.242 5.892 1.00 0.00 H new ATOM 0 HG SER A 27 9.017 -3.323 6.750 1.00 0.00 H new ATOM 372 N LEU A 28 7.673 -4.353 3.250 1.00 0.00 N ATOM 373 CA LEU A 28 7.741 -3.347 2.195 1.00 0.00 C ATOM 374 C LEU A 28 6.380 -2.695 1.977 1.00 0.00 C ATOM 375 O LEU A 28 5.360 -3.380 1.883 1.00 0.00 O ATOM 376 CB LEU A 28 8.233 -3.979 0.892 1.00 0.00 C ATOM 377 CG LEU A 28 9.697 -4.419 0.869 1.00 0.00 C ATOM 378 CD1 LEU A 28 9.972 -5.296 -0.342 1.00 0.00 C ATOM 379 CD2 LEU A 28 10.618 -3.208 0.874 1.00 0.00 C ATOM 0 H LEU A 28 7.175 -5.204 2.989 1.00 0.00 H new ATOM 0 HA LEU A 28 8.446 -2.576 2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.610 -4.847 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.077 -3.265 0.084 1.00 0.00 H new ATOM 0 HG LEU A 28 9.895 -5.004 1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.019 -5.599 -0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.338 -6.181 -0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.757 -4.737 -1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.656 -3.540 0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.419 -2.596 -0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.440 -2.619 1.774 1.00 0.00 H new ATOM 391 N TYR A 29 6.371 -1.370 1.893 1.00 0.00 N ATOM 392 CA TYR A 29 5.135 -0.625 1.686 1.00 0.00 C ATOM 393 C TYR A 29 4.867 -0.419 0.198 1.00 0.00 C ATOM 394 O TYR A 29 5.746 0.010 -0.550 1.00 0.00 O ATOM 395 CB TYR A 29 5.205 0.729 2.395 1.00 0.00 C ATOM 396 CG TYR A 29 5.508 0.623 3.872 1.00 0.00 C ATOM 397 CD1 TYR A 29 6.807 0.422 4.322 1.00 0.00 C ATOM 398 CD2 TYR A 29 4.496 0.726 4.818 1.00 0.00 C ATOM 399 CE1 TYR A 29 7.089 0.324 5.671 1.00 0.00 C ATOM 400 CE2 TYR A 29 4.768 0.631 6.169 1.00 0.00 C ATOM 401 CZ TYR A 29 6.066 0.430 6.591 1.00 0.00 C ATOM 402 OH TYR A 29 6.342 0.334 7.935 1.00 0.00 O ATOM 0 H TYR A 29 7.206 -0.789 1.965 1.00 0.00 H new ATOM 0 HA TYR A 29 4.315 -1.206 2.108 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.971 1.340 1.918 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.256 1.248 2.264 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.610 0.341 3.605 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.479 0.883 4.491 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.104 0.165 6.004 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.969 0.714 6.891 1.00 0.00 H new ATOM 0 HH TYR A 29 7.248 0.664 8.107 1.00 0.00 H new ATOM 412 N TYR A 30 3.646 -0.728 -0.224 1.00 0.00 N ATOM 413 CA TYR A 30 3.260 -0.579 -1.623 1.00 0.00 C ATOM 414 C TYR A 30 2.089 0.388 -1.765 1.00 0.00 C ATOM 415 O TYR A 30 1.371 0.656 -0.802 1.00 0.00 O ATOM 416 CB TYR A 30 2.889 -1.938 -2.219 1.00 0.00 C ATOM 417 CG TYR A 30 4.005 -2.956 -2.144 1.00 0.00 C ATOM 418 CD1 TYR A 30 5.092 -2.889 -3.007 1.00 0.00 C ATOM 419 CD2 TYR A 30 3.971 -3.986 -1.212 1.00 0.00 C ATOM 420 CE1 TYR A 30 6.113 -3.818 -2.943 1.00 0.00 C ATOM 421 CE2 TYR A 30 4.988 -4.918 -1.140 1.00 0.00 C ATOM 422 CZ TYR A 30 6.056 -4.830 -2.008 1.00 0.00 C ATOM 423 OH TYR A 30 7.071 -5.757 -1.940 1.00 0.00 O ATOM 0 H TYR A 30 2.906 -1.083 0.382 1.00 0.00 H new ATOM 0 HA TYR A 30 4.112 -0.172 -2.167 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.016 -2.329 -1.696 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.602 -1.802 -3.262 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.140 -2.097 -3.740 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.135 -4.059 -0.532 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.951 -3.752 -3.621 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.947 -5.711 -0.408 1.00 0.00 H new ATOM 0 HH TYR A 30 6.878 -6.401 -1.227 1.00 0.00 H new ATOM 433 N GLU A 31 1.902 0.908 -2.974 1.00 0.00 N ATOM 434 CA GLU A 31 0.818 1.845 -3.243 1.00 0.00 C ATOM 435 C GLU A 31 -0.534 1.139 -3.204 1.00 0.00 C ATOM 436 O GLU A 31 -0.927 0.471 -4.161 1.00 0.00 O ATOM 437 CB GLU A 31 1.017 2.512 -4.606 1.00 0.00 C ATOM 438 CG GLU A 31 0.135 3.731 -4.821 1.00 0.00 C ATOM 439 CD GLU A 31 0.443 4.451 -6.120 1.00 0.00 C ATOM 440 OE1 GLU A 31 0.888 3.784 -7.077 1.00 0.00 O ATOM 441 OE2 GLU A 31 0.239 5.682 -6.179 1.00 0.00 O ATOM 0 H GLU A 31 2.487 0.696 -3.782 1.00 0.00 H new ATOM 0 HA GLU A 31 0.832 2.609 -2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.061 2.807 -4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.813 1.784 -5.391 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.911 3.423 -4.819 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.266 4.421 -3.987 1.00 0.00 H new ATOM 448 N VAL A 32 -1.242 1.291 -2.089 1.00 0.00 N ATOM 449 CA VAL A 32 -2.551 0.668 -1.924 1.00 0.00 C ATOM 450 C VAL A 32 -3.626 1.714 -1.651 1.00 0.00 C ATOM 451 O VAL A 32 -3.326 2.894 -1.473 1.00 0.00 O ATOM 452 CB VAL A 32 -2.544 -0.356 -0.774 1.00 0.00 C ATOM 453 CG1 VAL A 32 -1.567 -1.485 -1.070 1.00 0.00 C ATOM 454 CG2 VAL A 32 -2.202 0.324 0.543 1.00 0.00 C ATOM 0 H VAL A 32 -0.932 1.840 -1.287 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.777 0.153 -2.858 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.542 -0.785 -0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.576 -2.199 -0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.862 -1.989 -1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.563 -1.076 -1.186 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.202 -0.415 1.345 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.215 0.782 0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.944 1.093 0.759 1.00 0.00 H new ATOM 464 N GLU A 33 -4.879 1.272 -1.620 1.00 0.00 N ATOM 465 CA GLU A 33 -6.000 2.171 -1.369 1.00 0.00 C ATOM 466 C GLU A 33 -6.870 1.651 -0.229 1.00 0.00 C ATOM 467 O GLU A 33 -6.905 0.450 0.041 1.00 0.00 O ATOM 468 CB GLU A 33 -6.843 2.337 -2.635 1.00 0.00 C ATOM 469 CG GLU A 33 -8.306 2.637 -2.357 1.00 0.00 C ATOM 470 CD GLU A 33 -9.070 3.027 -3.607 1.00 0.00 C ATOM 471 OE1 GLU A 33 -8.840 4.144 -4.117 1.00 0.00 O ATOM 472 OE2 GLU A 33 -9.897 2.218 -4.075 1.00 0.00 O ATOM 0 H GLU A 33 -5.144 0.298 -1.765 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.596 3.142 -1.081 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.424 3.143 -3.237 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.774 1.426 -3.229 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.774 1.760 -1.909 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.375 3.444 -1.627 1.00 0.00 H new ATOM 479 N ILE A 34 -7.572 2.563 0.436 1.00 0.00 N ATOM 480 CA ILE A 34 -8.443 2.196 1.546 1.00 0.00 C ATOM 481 C ILE A 34 -9.846 1.855 1.054 1.00 0.00 C ATOM 482 O ILE A 34 -10.528 2.691 0.460 1.00 0.00 O ATOM 483 CB ILE A 34 -8.536 3.328 2.586 1.00 0.00 C ATOM 484 CG1 ILE A 34 -7.137 3.811 2.973 1.00 0.00 C ATOM 485 CG2 ILE A 34 -9.299 2.856 3.815 1.00 0.00 C ATOM 486 CD1 ILE A 34 -6.521 3.026 4.110 1.00 0.00 C ATOM 0 H ILE A 34 -7.555 3.561 0.225 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.002 1.317 2.017 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.079 4.164 2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.485 3.746 2.102 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.189 4.863 3.254 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.357 3.667 4.541 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.306 2.556 3.525 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.782 2.006 4.260 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.530 3.423 4.331 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.152 3.111 4.995 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.437 1.977 3.824 1.00 0.00 H new ATOM 498 N LEU A 35 -10.272 0.622 1.307 1.00 0.00 N ATOM 499 CA LEU A 35 -11.595 0.170 0.892 1.00 0.00 C ATOM 500 C LEU A 35 -12.593 0.282 2.040 1.00 0.00 C ATOM 501 O LEU A 35 -13.682 0.833 1.877 1.00 0.00 O ATOM 502 CB LEU A 35 -11.530 -1.276 0.397 1.00 0.00 C ATOM 503 CG LEU A 35 -10.435 -1.587 -0.623 1.00 0.00 C ATOM 504 CD1 LEU A 35 -10.419 -3.071 -0.954 1.00 0.00 C ATOM 505 CD2 LEU A 35 -10.631 -0.760 -1.886 1.00 0.00 C ATOM 0 H LEU A 35 -9.720 -0.082 1.797 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.932 0.811 0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.391 -1.928 1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.493 -1.532 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.473 -1.323 -0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.633 -3.273 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.229 -3.644 -0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.383 -3.361 -1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.842 -0.995 -2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.601 -0.993 -2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.591 0.300 -1.637 1.00 0.00 H new ATOM 517 N SER A 36 -12.213 -0.241 3.201 1.00 0.00 N ATOM 518 CA SER A 36 -13.076 -0.202 4.376 1.00 0.00 C ATOM 519 C SER A 36 -12.251 -0.267 5.658 1.00 0.00 C ATOM 520 O SER A 36 -11.055 -0.559 5.626 1.00 0.00 O ATOM 521 CB SER A 36 -14.076 -1.359 4.340 1.00 0.00 C ATOM 522 OG SER A 36 -14.875 -1.306 3.171 1.00 0.00 O ATOM 0 H SER A 36 -11.313 -0.697 3.353 1.00 0.00 H new ATOM 0 HA SER A 36 -13.623 0.741 4.364 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.541 -2.308 4.376 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.714 -1.320 5.223 1.00 0.00 H new ATOM 0 HG SER A 36 -15.505 -2.057 3.171 1.00 0.00 H new ATOM 528 N HIS A 37 -12.899 0.008 6.786 1.00 0.00 N ATOM 529 CA HIS A 37 -12.226 -0.020 8.080 1.00 0.00 C ATOM 530 C HIS A 37 -12.982 -0.906 9.066 1.00 0.00 C ATOM 531 O HIS A 37 -14.165 -0.689 9.329 1.00 0.00 O ATOM 532 CB HIS A 37 -12.099 1.396 8.642 1.00 0.00 C ATOM 533 CG HIS A 37 -12.035 1.443 10.138 1.00 0.00 C ATOM 534 ND1 HIS A 37 -11.308 0.543 10.889 1.00 0.00 N ATOM 535 CD2 HIS A 37 -12.612 2.289 11.023 1.00 0.00 C ATOM 536 CE1 HIS A 37 -11.441 0.833 12.170 1.00 0.00 C ATOM 537 NE2 HIS A 37 -12.227 1.889 12.279 1.00 0.00 N ATOM 0 H HIS A 37 -13.888 0.253 6.830 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.229 -0.436 7.935 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.202 1.861 8.233 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -12.948 1.990 8.304 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.255 3.123 10.786 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.985 0.298 12.990 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -12.503 2.335 13.154 1.00 0.00 H new ATOM 546 N ASP A 38 -12.291 -1.903 9.606 1.00 0.00 N ATOM 547 CA ASP A 38 -12.897 -2.822 10.563 1.00 0.00 C ATOM 548 C ASP A 38 -12.852 -2.244 11.975 1.00 0.00 C ATOM 549 O ASP A 38 -11.778 -2.076 12.553 1.00 0.00 O ATOM 550 CB ASP A 38 -12.181 -4.173 10.529 1.00 0.00 C ATOM 551 CG ASP A 38 -13.098 -5.324 10.894 1.00 0.00 C ATOM 552 OD1 ASP A 38 -14.231 -5.368 10.371 1.00 0.00 O ATOM 553 OD2 ASP A 38 -12.683 -6.179 11.704 1.00 0.00 O ATOM 0 H ASP A 38 -11.311 -2.096 9.398 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.940 -2.965 10.281 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.773 -4.340 9.532 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.338 -4.151 11.219 1.00 0.00 H new ATOM 558 N SER A 39 -14.024 -1.941 12.522 1.00 0.00 N ATOM 559 CA SER A 39 -14.119 -1.377 13.864 1.00 0.00 C ATOM 560 C SER A 39 -14.170 -2.481 14.915 1.00 0.00 C ATOM 561 O SER A 39 -14.775 -2.319 15.975 1.00 0.00 O ATOM 562 CB SER A 39 -15.358 -0.488 13.980 1.00 0.00 C ATOM 563 OG SER A 39 -15.429 0.124 15.256 1.00 0.00 O ATOM 0 H SER A 39 -14.922 -2.076 12.057 1.00 0.00 H new ATOM 0 HA SER A 39 -13.230 -0.772 14.041 1.00 0.00 H new ATOM 0 HB2 SER A 39 -15.333 0.279 13.206 1.00 0.00 H new ATOM 0 HB3 SER A 39 -16.254 -1.084 13.809 1.00 0.00 H new ATOM 0 HG SER A 39 -15.300 -0.554 15.952 1.00 0.00 H new ATOM 569 N THR A 40 -13.531 -3.607 14.613 1.00 0.00 N ATOM 570 CA THR A 40 -13.504 -4.740 15.529 1.00 0.00 C ATOM 571 C THR A 40 -12.073 -5.134 15.875 1.00 0.00 C ATOM 572 O THR A 40 -11.731 -5.307 17.045 1.00 0.00 O ATOM 573 CB THR A 40 -14.232 -5.961 14.935 1.00 0.00 C ATOM 574 OG1 THR A 40 -15.602 -5.635 14.673 1.00 0.00 O ATOM 575 CG2 THR A 40 -14.160 -7.148 15.883 1.00 0.00 C ATOM 0 H THR A 40 -13.025 -3.758 13.740 1.00 0.00 H new ATOM 0 HA THR A 40 -14.020 -4.425 16.436 1.00 0.00 H new ATOM 0 HB THR A 40 -13.739 -6.232 14.002 1.00 0.00 H new ATOM 0 HG1 THR A 40 -16.057 -6.416 14.294 1.00 0.00 H new ATOM 0 HG21 THR A 40 -14.681 -7.998 15.442 1.00 0.00 H new ATOM 0 HG22 THR A 40 -13.117 -7.412 16.057 1.00 0.00 H new ATOM 0 HG23 THR A 40 -14.631 -6.886 16.831 1.00 0.00 H new ATOM 583 N SER A 41 -11.239 -5.275 14.849 1.00 0.00 N ATOM 584 CA SER A 41 -9.844 -5.653 15.044 1.00 0.00 C ATOM 585 C SER A 41 -8.910 -4.615 14.430 1.00 0.00 C ATOM 586 O SER A 41 -7.790 -4.933 14.030 1.00 0.00 O ATOM 587 CB SER A 41 -9.574 -7.027 14.428 1.00 0.00 C ATOM 588 OG SER A 41 -10.275 -8.044 15.123 1.00 0.00 O ATOM 0 H SER A 41 -11.505 -5.133 13.875 1.00 0.00 H new ATOM 0 HA SER A 41 -9.652 -5.700 16.116 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.874 -7.025 13.380 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.505 -7.236 14.452 1.00 0.00 H new ATOM 0 HG SER A 41 -10.087 -8.912 14.709 1.00 0.00 H new ATOM 594 N GLN A 42 -9.379 -3.373 14.359 1.00 0.00 N ATOM 595 CA GLN A 42 -8.586 -2.289 13.792 1.00 0.00 C ATOM 596 C GLN A 42 -7.925 -2.721 12.488 1.00 0.00 C ATOM 597 O GLN A 42 -6.812 -2.297 12.174 1.00 0.00 O ATOM 598 CB GLN A 42 -7.522 -1.832 14.791 1.00 0.00 C ATOM 599 CG GLN A 42 -8.096 -1.157 16.027 1.00 0.00 C ATOM 600 CD GLN A 42 -8.732 0.183 15.717 1.00 0.00 C ATOM 601 OE1 GLN A 42 -8.048 1.136 15.342 1.00 0.00 O ATOM 602 NE2 GLN A 42 -10.048 0.265 15.873 1.00 0.00 N ATOM 0 H GLN A 42 -10.303 -3.093 14.687 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.256 -1.456 13.578 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.931 -2.695 15.100 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.841 -1.141 14.293 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.840 -1.812 16.482 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.303 -1.017 16.762 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.576 -0.550 16.186 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.531 1.143 15.680 1.00 0.00 H new ATOM 611 N LEU A 43 -8.616 -3.568 11.733 1.00 0.00 N ATOM 612 CA LEU A 43 -8.095 -4.059 10.462 1.00 0.00 C ATOM 613 C LEU A 43 -8.701 -3.291 9.292 1.00 0.00 C ATOM 614 O LEU A 43 -9.921 -3.250 9.128 1.00 0.00 O ATOM 615 CB LEU A 43 -8.387 -5.553 10.311 1.00 0.00 C ATOM 616 CG LEU A 43 -7.511 -6.494 11.139 1.00 0.00 C ATOM 617 CD1 LEU A 43 -8.080 -7.905 11.123 1.00 0.00 C ATOM 618 CD2 LEU A 43 -6.081 -6.489 10.618 1.00 0.00 C ATOM 0 H LEU A 43 -9.538 -3.929 11.979 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.016 -3.903 10.456 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.429 -5.728 10.579 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.279 -5.820 9.260 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.503 -6.138 12.169 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.444 -8.561 11.717 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.086 -7.897 11.544 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.119 -8.270 10.097 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.472 -7.164 11.219 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.071 -6.819 9.579 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.674 -5.480 10.682 1.00 0.00 H new ATOM 630 N TYR A 44 -7.842 -2.685 8.479 1.00 0.00 N ATOM 631 CA TYR A 44 -8.293 -1.918 7.324 1.00 0.00 C ATOM 632 C TYR A 44 -8.173 -2.740 6.044 1.00 0.00 C ATOM 633 O TYR A 44 -7.132 -3.339 5.771 1.00 0.00 O ATOM 634 CB TYR A 44 -7.481 -0.629 7.194 1.00 0.00 C ATOM 635 CG TYR A 44 -7.750 0.370 8.296 1.00 0.00 C ATOM 636 CD1 TYR A 44 -7.625 0.010 9.632 1.00 0.00 C ATOM 637 CD2 TYR A 44 -8.130 1.674 8.002 1.00 0.00 C ATOM 638 CE1 TYR A 44 -7.871 0.919 10.643 1.00 0.00 C ATOM 639 CE2 TYR A 44 -8.376 2.590 9.006 1.00 0.00 C ATOM 640 CZ TYR A 44 -8.245 2.208 10.325 1.00 0.00 C ATOM 641 OH TYR A 44 -8.490 3.117 11.328 1.00 0.00 O ATOM 0 H TYR A 44 -6.829 -2.710 8.599 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.342 -1.665 7.474 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.420 -0.877 7.191 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.703 -0.165 6.233 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.330 -0.998 9.885 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.235 1.976 6.971 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.771 0.622 11.677 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.669 3.600 8.760 1.00 0.00 H new ATOM 0 HH TYR A 44 -7.998 2.855 12.134 1.00 0.00 H new ATOM 651 N THR A 45 -9.247 -2.763 5.261 1.00 0.00 N ATOM 652 CA THR A 45 -9.264 -3.511 4.010 1.00 0.00 C ATOM 653 C THR A 45 -8.748 -2.661 2.855 1.00 0.00 C ATOM 654 O THR A 45 -9.434 -1.754 2.382 1.00 0.00 O ATOM 655 CB THR A 45 -10.683 -4.008 3.672 1.00 0.00 C ATOM 656 OG1 THR A 45 -11.225 -4.731 4.783 1.00 0.00 O ATOM 657 CG2 THR A 45 -10.664 -4.900 2.440 1.00 0.00 C ATOM 0 H THR A 45 -10.116 -2.272 5.471 1.00 0.00 H new ATOM 0 HA THR A 45 -8.608 -4.371 4.147 1.00 0.00 H new ATOM 0 HB THR A 45 -11.309 -3.141 3.463 1.00 0.00 H new ATOM 0 HG1 THR A 45 -12.128 -5.042 4.562 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.676 -5.239 2.221 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.277 -4.338 1.590 1.00 0.00 H new ATOM 0 HG23 THR A 45 -10.025 -5.763 2.626 1.00 0.00 H new ATOM 665 N VAL A 46 -7.534 -2.960 2.403 1.00 0.00 N ATOM 666 CA VAL A 46 -6.926 -2.224 1.300 1.00 0.00 C ATOM 667 C VAL A 46 -6.800 -3.099 0.059 1.00 0.00 C ATOM 668 O VAL A 46 -6.779 -4.327 0.150 1.00 0.00 O ATOM 669 CB VAL A 46 -5.533 -1.690 1.683 1.00 0.00 C ATOM 670 CG1 VAL A 46 -5.638 -0.693 2.826 1.00 0.00 C ATOM 671 CG2 VAL A 46 -4.605 -2.839 2.050 1.00 0.00 C ATOM 0 H VAL A 46 -6.952 -3.706 2.783 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.582 -1.382 1.081 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.112 -1.173 0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.644 -0.327 3.082 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.266 0.145 2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.080 -1.181 3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.625 -2.444 2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.020 -3.385 2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.504 -3.512 1.198 1.00 0.00 H new ATOM 681 N LYS A 47 -6.715 -2.460 -1.103 1.00 0.00 N ATOM 682 CA LYS A 47 -6.588 -3.179 -2.365 1.00 0.00 C ATOM 683 C LYS A 47 -5.299 -2.795 -3.083 1.00 0.00 C ATOM 684 O LYS A 47 -4.870 -1.642 -3.035 1.00 0.00 O ATOM 685 CB LYS A 47 -7.792 -2.888 -3.265 1.00 0.00 C ATOM 686 CG LYS A 47 -8.086 -3.993 -4.264 1.00 0.00 C ATOM 687 CD LYS A 47 -9.429 -3.787 -4.944 1.00 0.00 C ATOM 688 CE LYS A 47 -9.291 -2.958 -6.211 1.00 0.00 C ATOM 689 NZ LYS A 47 -10.612 -2.482 -6.709 1.00 0.00 N ATOM 0 H LYS A 47 -6.732 -1.444 -1.197 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.556 -4.246 -2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.672 -2.730 -2.641 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.614 -1.959 -3.806 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.297 -4.024 -5.016 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.079 -4.957 -3.755 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.867 -4.755 -5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.114 -3.291 -4.256 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.646 -2.101 -6.016 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.805 -3.554 -6.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.475 -1.921 -7.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.219 -3.300 -6.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.065 -1.893 -5.982 1.00 0.00 H new ATOM 703 N TYR A 48 -4.686 -3.767 -3.750 1.00 0.00 N ATOM 704 CA TYR A 48 -3.445 -3.530 -4.478 1.00 0.00 C ATOM 705 C TYR A 48 -3.693 -3.498 -5.983 1.00 0.00 C ATOM 706 O TYR A 48 -4.659 -4.079 -6.477 1.00 0.00 O ATOM 707 CB TYR A 48 -2.418 -4.613 -4.142 1.00 0.00 C ATOM 708 CG TYR A 48 -1.952 -4.581 -2.704 1.00 0.00 C ATOM 709 CD1 TYR A 48 -2.763 -5.056 -1.680 1.00 0.00 C ATOM 710 CD2 TYR A 48 -0.703 -4.075 -2.369 1.00 0.00 C ATOM 711 CE1 TYR A 48 -2.342 -5.028 -0.365 1.00 0.00 C ATOM 712 CE2 TYR A 48 -0.273 -4.044 -1.056 1.00 0.00 C ATOM 713 CZ TYR A 48 -1.096 -4.522 -0.058 1.00 0.00 C ATOM 714 OH TYR A 48 -0.672 -4.492 1.251 1.00 0.00 O ATOM 0 H TYR A 48 -5.028 -4.726 -3.801 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.054 -2.560 -4.172 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.851 -5.591 -4.353 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.555 -4.499 -4.797 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.739 -5.454 -1.917 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.056 -3.699 -3.148 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.985 -5.400 0.419 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.702 -3.648 -0.813 1.00 0.00 H new ATOM 0 HH TYR A 48 0.228 -4.107 1.295 1.00 0.00 H new ATOM 724 N LYS A 49 -2.813 -2.815 -6.706 1.00 0.00 N ATOM 725 CA LYS A 49 -2.933 -2.706 -8.155 1.00 0.00 C ATOM 726 C LYS A 49 -3.375 -4.033 -8.765 1.00 0.00 C ATOM 727 O LYS A 49 -4.483 -4.146 -9.291 1.00 0.00 O ATOM 728 CB LYS A 49 -1.599 -2.271 -8.767 1.00 0.00 C ATOM 729 CG LYS A 49 -1.746 -1.558 -10.100 1.00 0.00 C ATOM 730 CD LYS A 49 -0.490 -1.693 -10.945 1.00 0.00 C ATOM 731 CE LYS A 49 -0.430 -0.628 -12.029 1.00 0.00 C ATOM 732 NZ LYS A 49 0.963 -0.394 -12.500 1.00 0.00 N ATOM 0 H LYS A 49 -2.008 -2.328 -6.312 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.690 -1.954 -8.376 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.085 -1.612 -8.067 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.967 -3.149 -8.902 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.597 -1.970 -10.642 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.958 -0.503 -9.928 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.390 -1.613 -10.306 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.463 -2.682 -11.403 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.052 -0.932 -12.871 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.845 0.304 -11.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.961 0.338 -13.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.551 -0.080 -11.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.351 -1.277 -12.889 1.00 0.00 H new ATOM 746 N ASP A 50 -2.504 -5.032 -8.691 1.00 0.00 N ATOM 747 CA ASP A 50 -2.806 -6.352 -9.233 1.00 0.00 C ATOM 748 C ASP A 50 -4.280 -6.693 -9.043 1.00 0.00 C ATOM 749 O ASP A 50 -4.903 -7.307 -9.908 1.00 0.00 O ATOM 750 CB ASP A 50 -1.933 -7.414 -8.564 1.00 0.00 C ATOM 751 CG ASP A 50 -0.483 -6.984 -8.449 1.00 0.00 C ATOM 752 OD1 ASP A 50 0.075 -6.505 -9.458 1.00 0.00 O ATOM 753 OD2 ASP A 50 0.093 -7.128 -7.350 1.00 0.00 O ATOM 0 H ASP A 50 -1.582 -4.954 -8.261 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.590 -6.337 -10.301 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.325 -7.629 -7.570 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.990 -8.340 -9.136 1.00 0.00 H new ATOM 758 N GLY A 51 -4.833 -6.293 -7.902 1.00 0.00 N ATOM 759 CA GLY A 51 -6.229 -6.566 -7.617 1.00 0.00 C ATOM 760 C GLY A 51 -6.408 -7.505 -6.441 1.00 0.00 C ATOM 761 O GLY A 51 -7.264 -8.390 -6.467 1.00 0.00 O ATOM 0 H GLY A 51 -4.338 -5.784 -7.169 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.745 -5.628 -7.411 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.699 -7.000 -8.500 1.00 0.00 H new ATOM 765 N THR A 52 -5.597 -7.315 -5.405 1.00 0.00 N ATOM 766 CA THR A 52 -5.667 -8.153 -4.215 1.00 0.00 C ATOM 767 C THR A 52 -6.107 -7.346 -2.999 1.00 0.00 C ATOM 768 O THR A 52 -5.679 -6.208 -2.810 1.00 0.00 O ATOM 769 CB THR A 52 -4.310 -8.816 -3.913 1.00 0.00 C ATOM 770 OG1 THR A 52 -3.928 -9.667 -5.000 1.00 0.00 O ATOM 771 CG2 THR A 52 -4.377 -9.626 -2.627 1.00 0.00 C ATOM 0 H THR A 52 -4.883 -6.587 -5.366 1.00 0.00 H new ATOM 0 HA THR A 52 -6.405 -8.929 -4.419 1.00 0.00 H new ATOM 0 HB THR A 52 -3.566 -8.029 -3.789 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.063 -10.083 -4.801 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.407 -10.085 -2.435 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.639 -8.970 -1.797 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.133 -10.405 -2.726 1.00 0.00 H new ATOM 779 N GLU A 53 -6.964 -7.943 -2.176 1.00 0.00 N ATOM 780 CA GLU A 53 -7.461 -7.278 -0.978 1.00 0.00 C ATOM 781 C GLU A 53 -6.922 -7.950 0.281 1.00 0.00 C ATOM 782 O GLU A 53 -6.932 -9.176 0.397 1.00 0.00 O ATOM 783 CB GLU A 53 -8.991 -7.288 -0.959 1.00 0.00 C ATOM 784 CG GLU A 53 -9.619 -6.534 -2.120 1.00 0.00 C ATOM 785 CD GLU A 53 -11.015 -7.028 -2.449 1.00 0.00 C ATOM 786 OE1 GLU A 53 -11.778 -7.322 -1.505 1.00 0.00 O ATOM 787 OE2 GLU A 53 -11.343 -7.119 -3.650 1.00 0.00 O ATOM 0 H GLU A 53 -7.328 -8.885 -2.317 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.112 -6.246 -0.996 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.339 -8.321 -0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.337 -6.850 -0.023 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.661 -5.472 -1.879 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.985 -6.636 -3.000 1.00 0.00 H new ATOM 794 N LEU A 54 -6.451 -7.139 1.223 1.00 0.00 N ATOM 795 CA LEU A 54 -5.907 -7.654 2.474 1.00 0.00 C ATOM 796 C LEU A 54 -6.325 -6.778 3.651 1.00 0.00 C ATOM 797 O LEU A 54 -6.887 -5.700 3.465 1.00 0.00 O ATOM 798 CB LEU A 54 -4.381 -7.730 2.396 1.00 0.00 C ATOM 799 CG LEU A 54 -3.806 -8.468 1.187 1.00 0.00 C ATOM 800 CD1 LEU A 54 -2.367 -8.045 0.938 1.00 0.00 C ATOM 801 CD2 LEU A 54 -3.893 -9.974 1.391 1.00 0.00 C ATOM 0 H LEU A 54 -6.435 -6.122 1.143 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.307 -8.656 2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.986 -6.714 2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.015 -8.216 3.301 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.397 -8.205 0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.975 -8.581 0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.331 -6.972 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.762 -8.278 1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.479 -10.484 0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.326 -10.254 2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.936 -10.264 1.520 1.00 0.00 H new ATOM 813 N GLU A 55 -6.044 -7.250 4.862 1.00 0.00 N ATOM 814 CA GLU A 55 -6.390 -6.508 6.069 1.00 0.00 C ATOM 815 C GLU A 55 -5.135 -6.027 6.790 1.00 0.00 C ATOM 816 O GLU A 55 -4.364 -6.828 7.321 1.00 0.00 O ATOM 817 CB GLU A 55 -7.229 -7.379 7.007 1.00 0.00 C ATOM 818 CG GLU A 55 -8.718 -7.338 6.707 1.00 0.00 C ATOM 819 CD GLU A 55 -9.449 -8.567 7.212 1.00 0.00 C ATOM 820 OE1 GLU A 55 -9.100 -9.056 8.307 1.00 0.00 O ATOM 821 OE2 GLU A 55 -10.368 -9.041 6.513 1.00 0.00 O ATOM 0 H GLU A 55 -5.578 -8.141 5.033 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.975 -5.637 5.774 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.882 -8.410 6.939 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.065 -7.054 8.034 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.152 -6.448 7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.866 -7.249 5.631 1.00 0.00 H new ATOM 828 N LEU A 56 -4.935 -4.714 6.805 1.00 0.00 N ATOM 829 CA LEU A 56 -3.773 -4.124 7.461 1.00 0.00 C ATOM 830 C LEU A 56 -4.196 -3.255 8.640 1.00 0.00 C ATOM 831 O LEU A 56 -5.102 -2.429 8.524 1.00 0.00 O ATOM 832 CB LEU A 56 -2.967 -3.291 6.462 1.00 0.00 C ATOM 833 CG LEU A 56 -2.665 -3.960 5.120 1.00 0.00 C ATOM 834 CD1 LEU A 56 -1.931 -2.999 4.198 1.00 0.00 C ATOM 835 CD2 LEU A 56 -1.853 -5.229 5.328 1.00 0.00 C ATOM 0 H LEU A 56 -5.562 -4.037 6.370 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.148 -4.934 7.837 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.510 -2.365 6.270 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.021 -3.015 6.929 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.610 -4.231 4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.725 -3.492 3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.550 -2.119 4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.992 -2.696 4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.647 -5.692 4.363 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.912 -4.982 5.820 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.417 -5.924 5.951 1.00 0.00 H new ATOM 847 N LYS A 57 -3.533 -3.444 9.776 1.00 0.00 N ATOM 848 CA LYS A 57 -3.837 -2.675 10.977 1.00 0.00 C ATOM 849 C LYS A 57 -3.624 -1.184 10.737 1.00 0.00 C ATOM 850 O LYS A 57 -2.914 -0.791 9.812 1.00 0.00 O ATOM 851 CB LYS A 57 -2.963 -3.145 12.143 1.00 0.00 C ATOM 852 CG LYS A 57 -3.409 -4.468 12.742 1.00 0.00 C ATOM 853 CD LYS A 57 -2.269 -5.163 13.468 1.00 0.00 C ATOM 854 CE LYS A 57 -2.633 -6.593 13.837 1.00 0.00 C ATOM 855 NZ LYS A 57 -1.426 -7.455 13.969 1.00 0.00 N ATOM 0 H LYS A 57 -2.781 -4.124 9.890 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.885 -2.838 11.227 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.933 -3.240 11.799 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.970 -2.382 12.922 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.232 -4.296 13.436 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.788 -5.117 11.952 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.381 -5.164 12.836 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.018 -4.606 14.371 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.186 -6.596 14.776 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.294 -7.008 13.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.716 -8.422 14.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.911 -7.472 13.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.807 -7.074 14.713 1.00 0.00 H new ATOM 869 N GLU A 58 -4.242 -0.360 11.577 1.00 0.00 N ATOM 870 CA GLU A 58 -4.118 1.088 11.456 1.00 0.00 C ATOM 871 C GLU A 58 -2.653 1.514 11.487 1.00 0.00 C ATOM 872 O GLU A 58 -2.286 2.554 10.942 1.00 0.00 O ATOM 873 CB GLU A 58 -4.887 1.785 12.580 1.00 0.00 C ATOM 874 CG GLU A 58 -5.156 3.256 12.313 1.00 0.00 C ATOM 875 CD GLU A 58 -6.006 3.899 13.392 1.00 0.00 C ATOM 876 OE1 GLU A 58 -7.158 3.455 13.582 1.00 0.00 O ATOM 877 OE2 GLU A 58 -5.520 4.845 14.046 1.00 0.00 O ATOM 0 H GLU A 58 -4.833 -0.670 12.348 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.544 1.383 10.497 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.837 1.272 12.731 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.323 1.690 13.508 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.207 3.787 12.238 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.657 3.361 11.351 1.00 0.00 H new ATOM 884 N ASN A 59 -1.821 0.701 12.130 1.00 0.00 N ATOM 885 CA ASN A 59 -0.396 0.993 12.235 1.00 0.00 C ATOM 886 C ASN A 59 0.352 0.502 10.999 1.00 0.00 C ATOM 887 O ASN A 59 1.193 1.212 10.447 1.00 0.00 O ATOM 888 CB ASN A 59 0.189 0.342 13.490 1.00 0.00 C ATOM 889 CG ASN A 59 1.694 0.505 13.579 1.00 0.00 C ATOM 890 OD1 ASN A 59 2.450 -0.363 13.143 1.00 0.00 O ATOM 891 ND2 ASN A 59 2.136 1.622 14.144 1.00 0.00 N ATOM 0 H ASN A 59 -2.109 -0.165 12.586 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.277 2.074 12.306 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.274 0.782 14.373 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.060 -0.719 13.495 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.139 1.788 14.230 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.473 2.315 14.492 1.00 0.00 H new ATOM 898 N ASP A 60 0.039 -0.715 10.570 1.00 0.00 N ATOM 899 CA ASP A 60 0.680 -1.301 9.398 1.00 0.00 C ATOM 900 C ASP A 60 0.633 -0.339 8.215 1.00 0.00 C ATOM 901 O ASP A 60 1.515 -0.352 7.356 1.00 0.00 O ATOM 902 CB ASP A 60 0.002 -2.620 9.026 1.00 0.00 C ATOM 903 CG ASP A 60 0.093 -3.651 10.134 1.00 0.00 C ATOM 904 OD1 ASP A 60 0.863 -3.426 11.091 1.00 0.00 O ATOM 905 OD2 ASP A 60 -0.605 -4.683 10.044 1.00 0.00 O ATOM 0 H ASP A 60 -0.655 -1.315 11.016 1.00 0.00 H new ATOM 0 HA ASP A 60 1.724 -1.495 9.644 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.046 -2.433 8.793 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.463 -3.020 8.123 1.00 0.00 H new ATOM 910 N ILE A 61 -0.402 0.494 8.177 1.00 0.00 N ATOM 911 CA ILE A 61 -0.564 1.462 7.100 1.00 0.00 C ATOM 912 C ILE A 61 0.196 2.750 7.399 1.00 0.00 C ATOM 913 O ILE A 61 0.217 3.222 8.536 1.00 0.00 O ATOM 914 CB ILE A 61 -2.048 1.798 6.863 1.00 0.00 C ATOM 915 CG1 ILE A 61 -2.853 0.518 6.632 1.00 0.00 C ATOM 916 CG2 ILE A 61 -2.195 2.744 5.680 1.00 0.00 C ATOM 917 CD1 ILE A 61 -4.327 0.667 6.940 1.00 0.00 C ATOM 0 H ILE A 61 -1.141 0.518 8.880 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.156 1.003 6.200 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.439 2.295 7.751 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.737 0.208 5.594 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.439 -0.278 7.251 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.250 2.972 5.525 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.650 3.666 5.882 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.791 2.272 4.784 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.835 -0.279 6.754 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.454 0.947 7.986 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.755 1.441 6.303 1.00 0.00 H new ATOM 929 N LYS A 62 0.819 3.315 6.371 1.00 0.00 N ATOM 930 CA LYS A 62 1.579 4.550 6.521 1.00 0.00 C ATOM 931 C LYS A 62 1.147 5.584 5.485 1.00 0.00 C ATOM 932 O LYS A 62 0.800 5.238 4.356 1.00 0.00 O ATOM 933 CB LYS A 62 3.078 4.272 6.385 1.00 0.00 C ATOM 934 CG LYS A 62 3.611 3.294 7.418 1.00 0.00 C ATOM 935 CD LYS A 62 3.896 3.983 8.742 1.00 0.00 C ATOM 936 CE LYS A 62 5.030 3.301 9.492 1.00 0.00 C ATOM 937 NZ LYS A 62 5.043 3.672 10.934 1.00 0.00 N ATOM 0 H LYS A 62 0.813 2.937 5.424 1.00 0.00 H new ATOM 0 HA LYS A 62 1.379 4.951 7.515 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.277 3.879 5.388 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.623 5.212 6.472 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.886 2.494 7.571 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.524 2.830 7.044 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.153 5.027 8.562 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.996 3.978 9.357 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.930 2.220 9.396 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.982 3.575 9.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.830 3.187 11.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.164 4.701 11.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.144 3.388 11.374 1.00 0.00 H new ATOM 951 N SER A 63 1.173 6.854 5.877 1.00 0.00 N ATOM 952 CA SER A 63 0.782 7.938 4.983 1.00 0.00 C ATOM 953 C SER A 63 1.828 9.048 4.985 1.00 0.00 C ATOM 954 O SER A 63 2.093 9.665 6.016 1.00 0.00 O ATOM 955 CB SER A 63 -0.578 8.502 5.396 1.00 0.00 C ATOM 956 OG SER A 63 -0.548 8.981 6.729 1.00 0.00 O ATOM 0 H SER A 63 1.461 7.157 6.807 1.00 0.00 H new ATOM 0 HA SER A 63 0.708 7.534 3.973 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.860 9.311 4.722 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.340 7.728 5.301 1.00 0.00 H new ATOM 0 HG SER A 63 0.354 9.301 6.941 1.00 0.00 H new ATOM 962 N GLY A 64 2.421 9.297 3.821 1.00 0.00 N ATOM 963 CA GLY A 64 3.432 10.332 3.710 1.00 0.00 C ATOM 964 C GLY A 64 3.179 11.267 2.544 1.00 0.00 C ATOM 965 O GLY A 64 2.302 11.032 1.712 1.00 0.00 O ATOM 0 H GLY A 64 2.219 8.800 2.953 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.460 10.909 4.635 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.411 9.868 3.594 1.00 0.00 H new ATOM 969 N PRO A 65 3.959 12.355 2.472 1.00 0.00 N ATOM 970 CA PRO A 65 3.833 13.351 1.404 1.00 0.00 C ATOM 971 C PRO A 65 4.292 12.813 0.053 1.00 0.00 C ATOM 972 O PRO A 65 5.434 13.027 -0.355 1.00 0.00 O ATOM 973 CB PRO A 65 4.749 14.486 1.867 1.00 0.00 C ATOM 974 CG PRO A 65 5.750 13.828 2.753 1.00 0.00 C ATOM 975 CD PRO A 65 5.024 12.698 3.429 1.00 0.00 C ATOM 0 HA PRO A 65 2.798 13.656 1.251 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.231 14.976 1.021 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.189 15.253 2.403 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.598 13.458 2.177 1.00 0.00 H new ATOM 0 HG3 PRO A 65 6.145 14.532 3.486 1.00 0.00 H new ATOM 0 HD2 PRO A 65 5.684 11.851 3.616 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.615 13.002 4.393 1.00 0.00 H new ATOM 983 N SER A 66 3.396 12.114 -0.636 1.00 0.00 N ATOM 984 CA SER A 66 3.712 11.543 -1.940 1.00 0.00 C ATOM 985 C SER A 66 2.441 11.115 -2.668 1.00 0.00 C ATOM 986 O SER A 66 1.817 10.114 -2.315 1.00 0.00 O ATOM 987 CB SER A 66 4.650 10.345 -1.782 1.00 0.00 C ATOM 988 OG SER A 66 5.214 9.971 -3.028 1.00 0.00 O ATOM 0 H SER A 66 2.446 11.929 -0.313 1.00 0.00 H new ATOM 0 HA SER A 66 4.210 12.310 -2.534 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.445 10.592 -1.079 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.102 9.503 -1.360 1.00 0.00 H new ATOM 0 HG SER A 66 5.811 9.204 -2.900 1.00 0.00 H new ATOM 994 N SER A 67 2.063 11.882 -3.686 1.00 0.00 N ATOM 995 CA SER A 67 0.864 11.586 -4.462 1.00 0.00 C ATOM 996 C SER A 67 0.866 12.355 -5.779 1.00 0.00 C ATOM 997 O SER A 67 1.305 13.502 -5.841 1.00 0.00 O ATOM 998 CB SER A 67 -0.389 11.934 -3.656 1.00 0.00 C ATOM 999 OG SER A 67 -0.708 10.904 -2.737 1.00 0.00 O ATOM 0 H SER A 67 2.569 12.713 -3.993 1.00 0.00 H new ATOM 0 HA SER A 67 0.859 10.519 -4.685 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.231 12.869 -3.118 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.228 12.094 -4.333 1.00 0.00 H new ATOM 0 HG SER A 67 0.076 10.332 -2.602 1.00 0.00 H new ATOM 1005 N GLY A 68 0.372 11.712 -6.833 1.00 0.00 N ATOM 1006 CA GLY A 68 0.326 12.349 -8.136 1.00 0.00 C ATOM 1007 C GLY A 68 -1.086 12.704 -8.558 1.00 0.00 C ATOM 1008 O GLY A 68 -1.353 12.917 -9.741 1.00 0.00 O ATOM 0 H GLY A 68 0.003 10.761 -6.807 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.934 13.253 -8.117 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.767 11.684 -8.878 1.00 0.00 H new TER 1012 GLY A 68