USER MOD reduce.3.24.130724 H: found=0, std=0, add=361, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 359 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 LYS NZ :NH3+ 162:sc= 1.23 (180deg=-0.0375) USER MOD Set 1.2: A 41 TYR OH : rot 180:sc= 1.02 USER MOD Single : A 1 GLY N :NH3+ 129:sc= 0.0227 (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 THR OG1 : rot -78:sc= 0.241 USER MOD Single : A 11 ASN : amide:sc= -3.5! K(o=-3.5!,f=-0.76) USER MOD Single : A 12 LYS NZ :NH3+ -128:sc= 0.3 (180deg=-0.244) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0499 USER MOD Single : A 23 SER OG : rot -100:sc= -0.315 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -2.98! C(o=-3!,f=-7.5!) USER MOD Single : A 40 ASN : amide:sc= -1.68 K(o=-1.7,f=-5.9!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0405 K(o=-0.041,f=-1) USER MOD Single : A 49 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.497) USER MOD Single : A 50 SER OG : rot -49:sc= 0.326 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -57:sc= 0.149 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.572 15.028 -4.605 1.00 0.00 N ATOM 2 CA GLY A 1 16.897 13.624 -4.777 1.00 0.00 C ATOM 3 C GLY A 1 16.029 12.951 -5.822 1.00 0.00 C ATOM 4 O GLY A 1 14.861 13.304 -5.989 1.00 0.00 O ATOM 0 H1 GLY A 1 16.427 15.230 -3.595 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.353 15.612 -4.966 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.702 15.250 -5.130 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.944 13.529 -5.064 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.779 13.108 -3.824 1.00 0.00 H new ATOM 8 N SER A 2 16.601 11.981 -6.528 1.00 0.00 N ATOM 9 CA SER A 2 15.873 11.261 -7.567 1.00 0.00 C ATOM 10 C SER A 2 15.320 9.945 -7.029 1.00 0.00 C ATOM 11 O SER A 2 14.146 9.627 -7.222 1.00 0.00 O ATOM 12 CB SER A 2 16.785 10.993 -8.765 1.00 0.00 C ATOM 13 OG SER A 2 16.034 10.592 -9.898 1.00 0.00 O ATOM 0 H SER A 2 17.566 11.676 -6.400 1.00 0.00 H new ATOM 0 HA SER A 2 15.037 11.882 -7.888 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.354 11.892 -9.001 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.507 10.217 -8.510 1.00 0.00 H new ATOM 0 HG SER A 2 16.640 10.428 -10.651 1.00 0.00 H new ATOM 19 N SER A 3 16.175 9.183 -6.356 1.00 0.00 N ATOM 20 CA SER A 3 15.774 7.898 -5.793 1.00 0.00 C ATOM 21 C SER A 3 14.964 8.094 -4.516 1.00 0.00 C ATOM 22 O SER A 3 15.499 8.021 -3.410 1.00 0.00 O ATOM 23 CB SER A 3 17.006 7.038 -5.502 1.00 0.00 C ATOM 24 OG SER A 3 17.688 6.703 -6.699 1.00 0.00 O ATOM 0 H SER A 3 17.150 9.432 -6.187 1.00 0.00 H new ATOM 0 HA SER A 3 15.148 7.388 -6.525 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.679 7.576 -4.834 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.704 6.127 -4.985 1.00 0.00 H new ATOM 0 HG SER A 3 18.472 6.155 -6.486 1.00 0.00 H new ATOM 30 N GLY A 4 13.668 8.344 -4.676 1.00 0.00 N ATOM 31 CA GLY A 4 12.803 8.546 -3.528 1.00 0.00 C ATOM 32 C GLY A 4 12.190 7.253 -3.029 1.00 0.00 C ATOM 33 O GLY A 4 11.424 6.605 -3.741 1.00 0.00 O ATOM 0 H GLY A 4 13.201 8.410 -5.581 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.375 9.008 -2.723 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.008 9.242 -3.794 1.00 0.00 H new ATOM 37 N SER A 5 12.530 6.875 -1.800 1.00 0.00 N ATOM 38 CA SER A 5 12.011 5.648 -1.208 1.00 0.00 C ATOM 39 C SER A 5 10.504 5.536 -1.419 1.00 0.00 C ATOM 40 O SER A 5 10.019 4.574 -2.014 1.00 0.00 O ATOM 41 CB SER A 5 12.332 5.602 0.287 1.00 0.00 C ATOM 42 OG SER A 5 11.906 4.381 0.863 1.00 0.00 O ATOM 0 H SER A 5 13.162 7.401 -1.196 1.00 0.00 H new ATOM 0 HA SER A 5 12.493 4.805 -1.703 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.405 5.723 0.435 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.845 6.436 0.792 1.00 0.00 H new ATOM 0 HG SER A 5 12.124 4.376 1.818 1.00 0.00 H new ATOM 48 N SER A 6 9.769 6.528 -0.927 1.00 0.00 N ATOM 49 CA SER A 6 8.317 6.542 -1.058 1.00 0.00 C ATOM 50 C SER A 6 7.883 7.451 -2.204 1.00 0.00 C ATOM 51 O SER A 6 8.701 8.148 -2.803 1.00 0.00 O ATOM 52 CB SER A 6 7.670 7.006 0.249 1.00 0.00 C ATOM 53 OG SER A 6 8.147 6.251 1.349 1.00 0.00 O ATOM 0 H SER A 6 10.155 7.333 -0.434 1.00 0.00 H new ATOM 0 HA SER A 6 7.987 5.527 -1.278 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.883 8.063 0.409 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.587 6.907 0.178 1.00 0.00 H new ATOM 0 HG SER A 6 7.720 6.567 2.173 1.00 0.00 H new ATOM 59 N GLY A 7 6.587 7.438 -2.503 1.00 0.00 N ATOM 60 CA GLY A 7 6.066 8.264 -3.576 1.00 0.00 C ATOM 61 C GLY A 7 5.206 7.479 -4.547 1.00 0.00 C ATOM 62 O GLY A 7 5.720 6.697 -5.348 1.00 0.00 O ATOM 0 H GLY A 7 5.890 6.870 -2.021 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.478 9.078 -3.151 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.896 8.719 -4.116 1.00 0.00 H new ATOM 66 N TRP A 8 3.897 7.686 -4.476 1.00 0.00 N ATOM 67 CA TRP A 8 2.964 6.989 -5.356 1.00 0.00 C ATOM 68 C TRP A 8 3.331 5.514 -5.478 1.00 0.00 C ATOM 69 O TRP A 8 3.336 4.955 -6.576 1.00 0.00 O ATOM 70 CB TRP A 8 2.952 7.642 -6.739 1.00 0.00 C ATOM 71 CG TRP A 8 2.430 9.046 -6.729 1.00 0.00 C ATOM 72 CD1 TRP A 8 3.084 10.167 -7.151 1.00 0.00 C ATOM 73 CD2 TRP A 8 1.143 9.479 -6.271 1.00 0.00 C ATOM 74 NE1 TRP A 8 2.283 11.271 -6.984 1.00 0.00 N ATOM 75 CE2 TRP A 8 1.086 10.875 -6.446 1.00 0.00 C ATOM 76 CE3 TRP A 8 0.034 8.822 -5.732 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -0.035 11.624 -6.101 1.00 0.00 C ATOM 78 CZ3 TRP A 8 -1.079 9.566 -5.389 1.00 0.00 C ATOM 79 CH2 TRP A 8 -1.108 10.955 -5.576 1.00 0.00 C ATOM 0 H TRP A 8 3.456 8.330 -3.819 1.00 0.00 H new ATOM 0 HA TRP A 8 1.968 7.061 -4.920 1.00 0.00 H new ATOM 0 HB2 TRP A 8 3.965 7.642 -7.142 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.341 7.040 -7.412 1.00 0.00 H new ATOM 0 HD1 TRP A 8 4.085 10.184 -7.557 1.00 0.00 H new ATOM 0 HE1 TRP A 8 2.538 12.230 -7.222 1.00 0.00 H new ATOM 0 HE3 TRP A 8 0.046 7.752 -5.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.058 12.694 -6.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.941 9.069 -4.970 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.994 11.508 -5.301 1.00 0.00 H new ATOM 90 N THR A 9 3.637 4.888 -4.346 1.00 0.00 N ATOM 91 CA THR A 9 4.006 3.479 -4.329 1.00 0.00 C ATOM 92 C THR A 9 3.662 2.838 -2.988 1.00 0.00 C ATOM 93 O THR A 9 3.731 3.485 -1.944 1.00 0.00 O ATOM 94 CB THR A 9 5.510 3.286 -4.605 1.00 0.00 C ATOM 95 OG1 THR A 9 6.277 4.141 -3.750 1.00 0.00 O ATOM 96 CG2 THR A 9 5.835 3.592 -6.060 1.00 0.00 C ATOM 0 H THR A 9 3.636 5.335 -3.429 1.00 0.00 H new ATOM 0 HA THR A 9 3.435 2.994 -5.120 1.00 0.00 H new ATOM 0 HB THR A 9 5.765 2.246 -4.402 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.267 5.054 -4.106 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.902 3.449 -6.232 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.270 2.922 -6.708 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.566 4.624 -6.283 1.00 0.00 H new ATOM 104 N CYS A 10 3.291 1.562 -3.026 1.00 0.00 N ATOM 105 CA CYS A 10 2.937 0.832 -1.816 1.00 0.00 C ATOM 106 C CYS A 10 4.099 -0.037 -1.344 1.00 0.00 C ATOM 107 O CYS A 10 4.904 -0.504 -2.148 1.00 0.00 O ATOM 108 CB CYS A 10 1.703 -0.037 -2.062 1.00 0.00 C ATOM 109 SG CYS A 10 0.122 0.860 -1.928 1.00 0.00 S ATOM 0 H CYS A 10 3.228 1.013 -3.883 1.00 0.00 H new ATOM 0 HA CYS A 10 2.711 1.560 -1.036 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.775 -0.478 -3.056 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.703 -0.860 -1.347 1.00 0.00 H new ATOM 114 N ASN A 11 4.178 -0.250 -0.034 1.00 0.00 N ATOM 115 CA ASN A 11 5.242 -1.063 0.545 1.00 0.00 C ATOM 116 C ASN A 11 4.668 -2.289 1.249 1.00 0.00 C ATOM 117 O ASN A 11 3.472 -2.351 1.537 1.00 0.00 O ATOM 118 CB ASN A 11 6.065 -0.234 1.533 1.00 0.00 C ATOM 119 CG ASN A 11 6.861 0.860 0.846 1.00 0.00 C ATOM 120 OD1 ASN A 11 7.431 0.649 -0.225 1.00 0.00 O ATOM 121 ND2 ASN A 11 6.904 2.035 1.461 1.00 0.00 N ATOM 0 H ASN A 11 3.519 0.129 0.646 1.00 0.00 H new ATOM 0 HA ASN A 11 5.889 -1.400 -0.265 1.00 0.00 H new ATOM 0 HB2 ASN A 11 5.399 0.213 2.271 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.746 -0.890 2.075 1.00 0.00 H new ATOM 0 HD21 ASN A 11 7.425 2.808 1.047 1.00 0.00 H new ATOM 0 HD22 ASN A 11 6.416 2.165 2.347 1.00 0.00 H new ATOM 128 N LYS A 12 5.527 -3.264 1.523 1.00 0.00 N ATOM 129 CA LYS A 12 5.108 -4.489 2.194 1.00 0.00 C ATOM 130 C LYS A 12 4.370 -4.172 3.492 1.00 0.00 C ATOM 131 O LYS A 12 3.320 -4.748 3.777 1.00 0.00 O ATOM 132 CB LYS A 12 6.320 -5.375 2.487 1.00 0.00 C ATOM 133 CG LYS A 12 6.701 -6.285 1.332 1.00 0.00 C ATOM 134 CD LYS A 12 7.572 -5.563 0.317 1.00 0.00 C ATOM 135 CE LYS A 12 7.735 -6.378 -0.957 1.00 0.00 C ATOM 136 NZ LYS A 12 8.798 -7.413 -0.821 1.00 0.00 N ATOM 0 H LYS A 12 6.520 -3.230 1.290 1.00 0.00 H new ATOM 0 HA LYS A 12 4.428 -5.023 1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.171 -4.741 2.735 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.110 -5.985 3.365 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.232 -7.157 1.714 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.798 -6.651 0.843 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.129 -4.596 0.078 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.552 -5.365 0.752 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.789 -6.859 -1.204 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.980 -5.713 -1.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.468 -7.329 -1.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.304 -7.275 0.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.365 -8.359 -0.833 1.00 0.00 H new ATOM 150 N PHE A 13 4.927 -3.254 4.275 1.00 0.00 N ATOM 151 CA PHE A 13 4.323 -2.861 5.542 1.00 0.00 C ATOM 152 C PHE A 13 2.976 -2.182 5.314 1.00 0.00 C ATOM 153 O PHE A 13 1.953 -2.614 5.846 1.00 0.00 O ATOM 154 CB PHE A 13 5.258 -1.923 6.308 1.00 0.00 C ATOM 155 CG PHE A 13 5.077 -1.981 7.798 1.00 0.00 C ATOM 156 CD1 PHE A 13 5.371 -3.139 8.500 1.00 0.00 C ATOM 157 CD2 PHE A 13 4.610 -0.878 8.496 1.00 0.00 C ATOM 158 CE1 PHE A 13 5.206 -3.196 9.871 1.00 0.00 C ATOM 159 CE2 PHE A 13 4.443 -0.930 9.867 1.00 0.00 C ATOM 160 CZ PHE A 13 4.740 -2.090 10.555 1.00 0.00 C ATOM 0 H PHE A 13 5.796 -2.768 4.054 1.00 0.00 H new ATOM 0 HA PHE A 13 4.160 -3.762 6.134 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.290 -2.175 6.065 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.091 -0.900 5.969 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.733 -4.007 7.970 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.374 0.031 7.963 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.441 -4.104 10.407 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.080 -0.064 10.400 1.00 0.00 H new ATOM 0 HZ PHE A 13 4.608 -2.132 11.626 1.00 0.00 H new ATOM 170 N ARG A 14 2.985 -1.115 4.521 1.00 0.00 N ATOM 171 CA ARG A 14 1.765 -0.375 4.223 1.00 0.00 C ATOM 172 C ARG A 14 0.618 -1.324 3.892 1.00 0.00 C ATOM 173 O ARG A 14 -0.479 -1.205 4.439 1.00 0.00 O ATOM 174 CB ARG A 14 1.998 0.587 3.057 1.00 0.00 C ATOM 175 CG ARG A 14 2.734 1.856 3.451 1.00 0.00 C ATOM 176 CD ARG A 14 3.419 2.498 2.254 1.00 0.00 C ATOM 177 NE ARG A 14 3.497 3.951 2.381 1.00 0.00 N ATOM 178 CZ ARG A 14 4.409 4.694 1.764 1.00 0.00 C ATOM 179 NH1 ARG A 14 5.315 4.124 0.981 1.00 0.00 N ATOM 180 NH2 ARG A 14 4.416 6.011 1.930 1.00 0.00 N ATOM 0 H ARG A 14 3.823 -0.744 4.074 1.00 0.00 H new ATOM 0 HA ARG A 14 1.494 0.198 5.110 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.567 0.073 2.282 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.036 0.856 2.621 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.032 2.563 3.892 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.476 1.625 4.215 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.424 2.089 2.149 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.875 2.242 1.345 1.00 0.00 H new ATOM 0 HE ARG A 14 2.814 4.421 2.976 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.313 3.112 0.851 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.014 4.697 0.509 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.721 6.453 2.532 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.117 6.581 1.456 1.00 0.00 H new ATOM 194 N CYS A 15 0.879 -2.269 2.995 1.00 0.00 N ATOM 195 CA CYS A 15 -0.130 -3.239 2.589 1.00 0.00 C ATOM 196 C CYS A 15 -1.017 -3.628 3.769 1.00 0.00 C ATOM 197 O CYS A 15 -0.624 -4.428 4.617 1.00 0.00 O ATOM 198 CB CYS A 15 0.538 -4.487 2.006 1.00 0.00 C ATOM 199 SG CYS A 15 1.523 -4.171 0.507 1.00 0.00 S ATOM 0 H CYS A 15 1.782 -2.383 2.535 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.755 -2.778 1.824 1.00 0.00 H new ATOM 0 HB2 CYS A 15 1.183 -4.929 2.765 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.232 -5.223 1.774 1.00 0.00 H new ATOM 204 N GLY A 16 -2.215 -3.053 3.815 1.00 0.00 N ATOM 205 CA GLY A 16 -3.139 -3.351 4.894 1.00 0.00 C ATOM 206 C GLY A 16 -2.946 -2.439 6.090 1.00 0.00 C ATOM 207 O GLY A 16 -2.841 -2.907 7.223 1.00 0.00 O ATOM 0 H GLY A 16 -2.562 -2.387 3.125 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.162 -3.256 4.529 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.007 -4.387 5.206 1.00 0.00 H new ATOM 211 N GLU A 17 -2.899 -1.136 5.837 1.00 0.00 N ATOM 212 CA GLU A 17 -2.714 -0.157 6.903 1.00 0.00 C ATOM 213 C GLU A 17 -4.003 0.621 7.156 1.00 0.00 C ATOM 214 O GLU A 17 -4.925 0.600 6.339 1.00 0.00 O ATOM 215 CB GLU A 17 -1.583 0.809 6.548 1.00 0.00 C ATOM 216 CG GLU A 17 -1.825 1.584 5.263 1.00 0.00 C ATOM 217 CD GLU A 17 -0.758 2.630 5.002 1.00 0.00 C ATOM 218 OE1 GLU A 17 -0.176 3.139 5.983 1.00 0.00 O ATOM 219 OE2 GLU A 17 -0.505 2.939 3.819 1.00 0.00 O ATOM 0 H GLU A 17 -2.986 -0.733 4.904 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.450 -0.694 7.814 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.448 1.514 7.368 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.653 0.248 6.454 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.859 0.888 4.425 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.800 2.070 5.314 1.00 0.00 H new ATOM 226 N LYS A 18 -4.059 1.306 8.293 1.00 0.00 N ATOM 227 CA LYS A 18 -5.233 2.092 8.655 1.00 0.00 C ATOM 228 C LYS A 18 -4.831 3.487 9.122 1.00 0.00 C ATOM 229 O LYS A 18 -3.657 3.853 9.074 1.00 0.00 O ATOM 230 CB LYS A 18 -6.027 1.383 9.754 1.00 0.00 C ATOM 231 CG LYS A 18 -5.249 1.201 11.046 1.00 0.00 C ATOM 232 CD LYS A 18 -4.387 -0.051 11.006 1.00 0.00 C ATOM 233 CE LYS A 18 -5.162 -1.276 11.468 1.00 0.00 C ATOM 234 NZ LYS A 18 -4.508 -2.541 11.035 1.00 0.00 N ATOM 0 H LYS A 18 -3.305 1.333 8.980 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.860 2.192 7.769 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.932 1.953 9.962 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.343 0.406 9.389 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.618 2.073 11.218 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.943 1.140 11.884 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.023 -0.211 9.991 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.512 0.088 11.641 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.246 -1.264 12.555 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.176 -1.236 11.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.066 -3.352 11.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.450 -2.564 9.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.550 -2.591 11.436 1.00 0.00 H new ATOM 248 N ARG A 19 -5.812 4.260 9.577 1.00 0.00 N ATOM 249 CA ARG A 19 -5.559 5.614 10.054 1.00 0.00 C ATOM 250 C ARG A 19 -4.463 6.285 9.230 1.00 0.00 C ATOM 251 O ARG A 19 -3.546 6.895 9.780 1.00 0.00 O ATOM 252 CB ARG A 19 -5.162 5.591 11.531 1.00 0.00 C ATOM 253 CG ARG A 19 -3.843 4.883 11.796 1.00 0.00 C ATOM 254 CD ARG A 19 -3.645 4.612 13.279 1.00 0.00 C ATOM 255 NE ARG A 19 -4.332 3.398 13.710 1.00 0.00 N ATOM 256 CZ ARG A 19 -4.005 2.717 14.802 1.00 0.00 C ATOM 257 NH1 ARG A 19 -3.004 3.127 15.569 1.00 0.00 N ATOM 258 NH2 ARG A 19 -4.678 1.621 15.129 1.00 0.00 N ATOM 0 H ARG A 19 -6.789 3.971 9.625 1.00 0.00 H new ATOM 0 HA ARG A 19 -6.477 6.190 9.941 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.094 6.616 11.896 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.950 5.100 12.103 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.817 3.942 11.246 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.020 5.493 11.423 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.580 4.521 13.492 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.013 5.461 13.855 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.106 3.054 13.141 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.483 3.968 15.321 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.755 2.602 16.407 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.448 1.301 14.541 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.426 1.099 15.968 1.00 0.00 H new ATOM 272 N LEU A 20 -4.564 6.165 7.911 1.00 0.00 N ATOM 273 CA LEU A 20 -3.582 6.759 7.011 1.00 0.00 C ATOM 274 C LEU A 20 -4.125 8.035 6.377 1.00 0.00 C ATOM 275 O LEU A 20 -4.340 8.097 5.166 1.00 0.00 O ATOM 276 CB LEU A 20 -3.190 5.760 5.922 1.00 0.00 C ATOM 277 CG LEU A 20 -4.336 5.214 5.068 1.00 0.00 C ATOM 278 CD1 LEU A 20 -3.846 4.877 3.669 1.00 0.00 C ATOM 279 CD2 LEU A 20 -4.956 3.990 5.728 1.00 0.00 C ATOM 0 H LEU A 20 -5.316 5.662 7.441 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.698 7.015 7.595 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.467 6.238 5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.683 4.919 6.394 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.102 5.985 4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.675 4.490 3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.450 5.776 3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.061 4.123 3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.769 3.615 5.107 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.198 3.215 5.841 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.345 4.263 6.709 1.00 0.00 H new ATOM 291 N THR A 21 -4.344 9.054 7.203 1.00 0.00 N ATOM 292 CA THR A 21 -4.861 10.329 6.723 1.00 0.00 C ATOM 293 C THR A 21 -3.927 10.947 5.689 1.00 0.00 C ATOM 294 O THR A 21 -4.341 11.263 4.574 1.00 0.00 O ATOM 295 CB THR A 21 -5.059 11.326 7.880 1.00 0.00 C ATOM 296 OG1 THR A 21 -3.866 11.405 8.669 1.00 0.00 O ATOM 297 CG2 THR A 21 -6.228 10.908 8.760 1.00 0.00 C ATOM 0 H THR A 21 -4.171 9.020 8.208 1.00 0.00 H new ATOM 0 HA THR A 21 -5.826 10.124 6.260 1.00 0.00 H new ATOM 0 HB THR A 21 -5.277 12.305 7.453 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.000 12.042 9.401 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.349 11.627 9.570 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.140 10.877 8.163 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.034 9.920 9.178 1.00 0.00 H new ATOM 305 N ARG A 22 -2.664 11.117 6.066 1.00 0.00 N ATOM 306 CA ARG A 22 -1.670 11.698 5.172 1.00 0.00 C ATOM 307 C ARG A 22 -0.979 10.615 4.349 1.00 0.00 C ATOM 308 O ARG A 22 -0.039 9.972 4.816 1.00 0.00 O ATOM 309 CB ARG A 22 -0.632 12.488 5.971 1.00 0.00 C ATOM 310 CG ARG A 22 0.278 13.346 5.108 1.00 0.00 C ATOM 311 CD ARG A 22 1.016 14.385 5.937 1.00 0.00 C ATOM 312 NE ARG A 22 1.738 15.341 5.103 1.00 0.00 N ATOM 313 CZ ARG A 22 2.784 16.043 5.525 1.00 0.00 C ATOM 314 NH1 ARG A 22 3.226 15.897 6.766 1.00 0.00 N ATOM 315 NH2 ARG A 22 3.388 16.894 4.705 1.00 0.00 N ATOM 0 H ARG A 22 -2.305 10.860 6.985 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.184 12.375 4.490 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.148 13.127 6.688 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.022 11.792 6.546 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.999 12.710 4.594 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.312 13.845 4.339 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.304 14.919 6.566 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.718 13.884 6.604 1.00 0.00 H new ATOM 0 HE ARG A 22 1.422 15.478 4.143 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.763 15.245 7.399 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.029 16.437 7.088 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.049 17.010 3.750 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.191 17.433 5.030 1.00 0.00 H new ATOM 329 N SER A 23 -1.452 10.418 3.123 1.00 0.00 N ATOM 330 CA SER A 23 -0.882 9.410 2.236 1.00 0.00 C ATOM 331 C SER A 23 -1.348 9.624 0.800 1.00 0.00 C ATOM 332 O SER A 23 -2.544 9.588 0.509 1.00 0.00 O ATOM 333 CB SER A 23 -1.273 8.007 2.707 1.00 0.00 C ATOM 334 OG SER A 23 -2.682 7.864 2.768 1.00 0.00 O ATOM 0 H SER A 23 -2.229 10.943 2.721 1.00 0.00 H new ATOM 0 HA SER A 23 0.203 9.507 2.266 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.858 7.263 2.027 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.842 7.817 3.690 1.00 0.00 H new ATOM 0 HG SER A 23 -2.982 7.973 3.695 1.00 0.00 H new ATOM 340 N LEU A 24 -0.393 9.848 -0.097 1.00 0.00 N ATOM 341 CA LEU A 24 -0.704 10.068 -1.506 1.00 0.00 C ATOM 342 C LEU A 24 -1.697 9.029 -2.014 1.00 0.00 C ATOM 343 O LEU A 24 -2.704 9.370 -2.635 1.00 0.00 O ATOM 344 CB LEU A 24 0.575 10.021 -2.343 1.00 0.00 C ATOM 345 CG LEU A 24 1.483 11.248 -2.255 1.00 0.00 C ATOM 346 CD1 LEU A 24 2.912 10.883 -2.622 1.00 0.00 C ATOM 347 CD2 LEU A 24 0.965 12.359 -3.157 1.00 0.00 C ATOM 0 H LEU A 24 0.602 9.882 0.126 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.159 11.054 -1.603 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.151 9.146 -2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.297 9.875 -3.387 1.00 0.00 H new ATOM 0 HG LEU A 24 1.476 11.609 -1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.543 11.769 -2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.281 10.121 -1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.939 10.497 -3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.623 13.225 -3.082 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.942 12.009 -4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.041 12.640 -2.847 1.00 0.00 H new ATOM 359 N CYS A 25 -1.410 7.760 -1.743 1.00 0.00 N ATOM 360 CA CYS A 25 -2.279 6.671 -2.170 1.00 0.00 C ATOM 361 C CYS A 25 -2.699 5.812 -0.981 1.00 0.00 C ATOM 362 O CYS A 25 -2.040 5.807 0.059 1.00 0.00 O ATOM 363 CB CYS A 25 -1.569 5.804 -3.212 1.00 0.00 C ATOM 364 SG CYS A 25 -0.132 4.890 -2.566 1.00 0.00 S ATOM 0 H CYS A 25 -0.581 7.461 -1.229 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.173 7.106 -2.616 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -2.284 5.092 -3.624 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.242 6.439 -4.035 1.00 0.00 H new ATOM 369 N ALA A 26 -3.803 5.089 -1.142 1.00 0.00 N ATOM 370 CA ALA A 26 -4.311 4.224 -0.083 1.00 0.00 C ATOM 371 C ALA A 26 -3.815 2.793 -0.257 1.00 0.00 C ATOM 372 O ALA A 26 -4.246 2.082 -1.165 1.00 0.00 O ATOM 373 CB ALA A 26 -5.831 4.260 -0.058 1.00 0.00 C ATOM 0 H ALA A 26 -4.362 5.085 -1.995 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.934 4.596 0.870 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.197 3.610 0.737 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.168 5.281 0.124 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.219 3.915 -1.016 1.00 0.00 H new ATOM 379 N CYS A 27 -2.906 2.376 0.618 1.00 0.00 N ATOM 380 CA CYS A 27 -2.350 1.030 0.561 1.00 0.00 C ATOM 381 C CYS A 27 -3.143 0.076 1.450 1.00 0.00 C ATOM 382 O CYS A 27 -2.571 -0.783 2.121 1.00 0.00 O ATOM 383 CB CYS A 27 -0.882 1.044 0.991 1.00 0.00 C ATOM 384 SG CYS A 27 0.231 1.872 -0.190 1.00 0.00 S ATOM 0 H CYS A 27 -2.539 2.952 1.376 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.417 0.679 -0.469 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.803 1.541 1.958 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.546 0.017 1.132 1.00 0.00 H new ATOM 389 N SER A 28 -4.463 0.234 1.448 1.00 0.00 N ATOM 390 CA SER A 28 -5.335 -0.611 2.256 1.00 0.00 C ATOM 391 C SER A 28 -6.386 -1.295 1.389 1.00 0.00 C ATOM 392 O SER A 28 -6.441 -1.082 0.177 1.00 0.00 O ATOM 393 CB SER A 28 -6.016 0.219 3.345 1.00 0.00 C ATOM 394 OG SER A 28 -6.825 1.236 2.780 1.00 0.00 O ATOM 0 H SER A 28 -4.952 0.939 0.896 1.00 0.00 H new ATOM 0 HA SER A 28 -4.722 -1.380 2.725 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.627 -0.430 3.972 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.261 0.667 3.991 1.00 0.00 H new ATOM 0 HG SER A 28 -7.251 1.751 3.497 1.00 0.00 H new ATOM 400 N ASP A 29 -7.219 -2.116 2.016 1.00 0.00 N ATOM 401 CA ASP A 29 -8.270 -2.832 1.303 1.00 0.00 C ATOM 402 C ASP A 29 -9.382 -1.879 0.876 1.00 0.00 C ATOM 403 O ASP A 29 -9.814 -1.889 -0.277 1.00 0.00 O ATOM 404 CB ASP A 29 -8.846 -3.945 2.181 1.00 0.00 C ATOM 405 CG ASP A 29 -10.261 -4.319 1.787 1.00 0.00 C ATOM 406 OD1 ASP A 29 -10.457 -4.778 0.643 1.00 0.00 O ATOM 407 OD2 ASP A 29 -11.174 -4.152 2.624 1.00 0.00 O ATOM 0 H ASP A 29 -7.187 -2.303 3.018 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.831 -3.275 0.409 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.208 -4.826 2.111 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.835 -3.625 3.223 1.00 0.00 H new ATOM 412 N ASP A 30 -9.843 -1.056 1.813 1.00 0.00 N ATOM 413 CA ASP A 30 -10.905 -0.097 1.533 1.00 0.00 C ATOM 414 C ASP A 30 -10.685 0.579 0.184 1.00 0.00 C ATOM 415 O ASP A 30 -11.625 0.768 -0.588 1.00 0.00 O ATOM 416 CB ASP A 30 -10.973 0.957 2.641 1.00 0.00 C ATOM 417 CG ASP A 30 -11.889 0.544 3.776 1.00 0.00 C ATOM 418 OD1 ASP A 30 -13.007 0.065 3.492 1.00 0.00 O ATOM 419 OD2 ASP A 30 -11.490 0.703 4.949 1.00 0.00 O ATOM 0 H ASP A 30 -9.497 -1.034 2.772 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.850 -0.638 1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.971 1.134 3.032 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.322 1.900 2.221 1.00 0.00 H new ATOM 424 N CYS A 31 -9.437 0.944 -0.093 1.00 0.00 N ATOM 425 CA CYS A 31 -9.093 1.601 -1.349 1.00 0.00 C ATOM 426 C CYS A 31 -9.827 0.955 -2.520 1.00 0.00 C ATOM 427 O CYS A 31 -10.291 1.640 -3.431 1.00 0.00 O ATOM 428 CB CYS A 31 -7.582 1.541 -1.582 1.00 0.00 C ATOM 429 SG CYS A 31 -7.022 0.030 -2.432 1.00 0.00 S ATOM 0 H CYS A 31 -8.647 0.796 0.535 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.402 2.644 -1.282 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.281 2.409 -2.169 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.073 1.614 -0.621 1.00 0.00 H new ATOM 434 N LYS A 32 -9.928 -0.370 -2.488 1.00 0.00 N ATOM 435 CA LYS A 32 -10.607 -1.111 -3.546 1.00 0.00 C ATOM 436 C LYS A 32 -12.012 -0.566 -3.776 1.00 0.00 C ATOM 437 O LYS A 32 -12.438 -0.383 -4.917 1.00 0.00 O ATOM 438 CB LYS A 32 -10.677 -2.598 -3.190 1.00 0.00 C ATOM 439 CG LYS A 32 -9.446 -3.383 -3.611 1.00 0.00 C ATOM 440 CD LYS A 32 -8.393 -3.400 -2.517 1.00 0.00 C ATOM 441 CE LYS A 32 -7.450 -4.583 -2.668 1.00 0.00 C ATOM 442 NZ LYS A 32 -6.924 -5.046 -1.353 1.00 0.00 N ATOM 0 H LYS A 32 -9.549 -0.953 -1.742 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.035 -0.990 -4.466 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.811 -2.699 -2.113 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.556 -3.035 -3.663 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.732 -4.406 -3.857 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.025 -2.943 -4.515 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.822 -2.472 -2.546 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.880 -3.444 -1.543 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.973 -5.404 -3.159 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.618 -4.304 -3.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.545 -6.009 -1.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.167 -4.406 -1.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.692 -5.046 -0.652 1.00 0.00 H new ATOM 456 N ASP A 33 -12.728 -0.309 -2.687 1.00 0.00 N ATOM 457 CA ASP A 33 -14.085 0.218 -2.771 1.00 0.00 C ATOM 458 C ASP A 33 -14.078 1.664 -3.258 1.00 0.00 C ATOM 459 O ASP A 33 -14.622 1.974 -4.318 1.00 0.00 O ATOM 460 CB ASP A 33 -14.774 0.130 -1.409 1.00 0.00 C ATOM 461 CG ASP A 33 -16.285 0.083 -1.526 1.00 0.00 C ATOM 462 OD1 ASP A 33 -16.852 0.941 -2.235 1.00 0.00 O ATOM 463 OD2 ASP A 33 -16.902 -0.811 -0.909 1.00 0.00 O ATOM 0 H ASP A 33 -12.391 -0.457 -1.736 1.00 0.00 H new ATOM 0 HA ASP A 33 -14.639 -0.386 -3.490 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.425 -0.760 -0.886 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.486 0.989 -0.803 1.00 0.00 H new ATOM 468 N GLN A 34 -13.458 2.543 -2.477 1.00 0.00 N ATOM 469 CA GLN A 34 -13.382 3.956 -2.830 1.00 0.00 C ATOM 470 C GLN A 34 -12.782 4.139 -4.219 1.00 0.00 C ATOM 471 O GLN A 34 -13.440 4.639 -5.130 1.00 0.00 O ATOM 472 CB GLN A 34 -12.549 4.716 -1.797 1.00 0.00 C ATOM 473 CG GLN A 34 -13.230 4.850 -0.444 1.00 0.00 C ATOM 474 CD GLN A 34 -13.735 3.524 0.089 1.00 0.00 C ATOM 475 OE1 GLN A 34 -12.964 2.582 0.275 1.00 0.00 O ATOM 476 NE2 GLN A 34 -15.036 3.443 0.340 1.00 0.00 N ATOM 0 H GLN A 34 -13.002 2.302 -1.597 1.00 0.00 H new ATOM 0 HA GLN A 34 -14.395 4.358 -2.837 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.595 4.205 -1.665 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.327 5.711 -2.183 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -12.529 5.281 0.270 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -14.065 5.545 -0.529 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -15.639 4.248 0.171 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -15.433 2.576 0.701 1.00 0.00 H new ATOM 485 N GLY A 35 -11.525 3.732 -4.374 1.00 0.00 N ATOM 486 CA GLY A 35 -10.857 3.860 -5.656 1.00 0.00 C ATOM 487 C GLY A 35 -9.613 4.723 -5.577 1.00 0.00 C ATOM 488 O GLY A 35 -9.349 5.527 -6.471 1.00 0.00 O ATOM 0 H GLY A 35 -10.958 3.316 -3.635 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.586 2.870 -6.022 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.548 4.289 -6.381 1.00 0.00 H new ATOM 492 N ASP A 36 -8.848 4.558 -4.504 1.00 0.00 N ATOM 493 CA ASP A 36 -7.625 5.328 -4.311 1.00 0.00 C ATOM 494 C ASP A 36 -6.438 4.407 -4.044 1.00 0.00 C ATOM 495 O ASP A 36 -5.595 4.693 -3.194 1.00 0.00 O ATOM 496 CB ASP A 36 -7.793 6.311 -3.152 1.00 0.00 C ATOM 497 CG ASP A 36 -8.794 7.407 -3.463 1.00 0.00 C ATOM 498 OD1 ASP A 36 -8.536 8.200 -4.394 1.00 0.00 O ATOM 499 OD2 ASP A 36 -9.835 7.471 -2.778 1.00 0.00 O ATOM 0 H ASP A 36 -9.053 3.898 -3.754 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.430 5.887 -5.226 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.117 5.769 -2.264 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.828 6.760 -2.917 1.00 0.00 H new ATOM 504 N CYS A 37 -6.380 3.298 -4.776 1.00 0.00 N ATOM 505 CA CYS A 37 -5.298 2.334 -4.618 1.00 0.00 C ATOM 506 C CYS A 37 -4.069 2.760 -5.415 1.00 0.00 C ATOM 507 O CYS A 37 -4.172 3.147 -6.579 1.00 0.00 O ATOM 508 CB CYS A 37 -5.756 0.945 -5.068 1.00 0.00 C ATOM 509 SG CYS A 37 -7.373 0.442 -4.400 1.00 0.00 S ATOM 0 H CYS A 37 -7.070 3.046 -5.484 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.029 2.297 -3.562 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.803 0.925 -6.157 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.007 0.212 -4.767 1.00 0.00 H new ATOM 514 N CYS A 38 -2.903 2.686 -4.780 1.00 0.00 N ATOM 515 CA CYS A 38 -1.653 3.064 -5.428 1.00 0.00 C ATOM 516 C CYS A 38 -1.571 2.477 -6.834 1.00 0.00 C ATOM 517 O CYS A 38 -2.397 1.650 -7.222 1.00 0.00 O ATOM 518 CB CYS A 38 -0.460 2.590 -4.595 1.00 0.00 C ATOM 519 SG CYS A 38 -0.609 2.944 -2.815 1.00 0.00 S ATOM 0 H CYS A 38 -2.799 2.367 -3.817 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.626 4.151 -5.505 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -0.339 1.515 -4.732 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.445 3.064 -4.974 1.00 0.00 H new ATOM 524 N ILE A 39 -0.570 2.912 -7.592 1.00 0.00 N ATOM 525 CA ILE A 39 -0.379 2.429 -8.954 1.00 0.00 C ATOM 526 C ILE A 39 0.025 0.958 -8.965 1.00 0.00 C ATOM 527 O ILE A 39 -0.508 0.164 -9.739 1.00 0.00 O ATOM 528 CB ILE A 39 0.692 3.249 -9.698 1.00 0.00 C ATOM 529 CG1 ILE A 39 0.826 2.765 -11.142 1.00 0.00 C ATOM 530 CG2 ILE A 39 2.028 3.154 -8.975 1.00 0.00 C ATOM 531 CD1 ILE A 39 1.383 3.810 -12.081 1.00 0.00 C ATOM 0 H ILE A 39 0.121 3.597 -7.286 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.334 2.545 -9.466 1.00 0.00 H new ATOM 0 HB ILE A 39 0.382 4.294 -9.713 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.472 1.888 -11.164 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.153 2.449 -11.503 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.775 3.738 -9.512 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.922 3.543 -7.962 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.345 2.112 -8.932 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.450 3.396 -13.087 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.726 4.679 -12.089 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.376 4.109 -11.745 1.00 0.00 H new ATOM 543 N ASN A 40 0.968 0.603 -8.099 1.00 0.00 N ATOM 544 CA ASN A 40 1.442 -0.772 -8.007 1.00 0.00 C ATOM 545 C ASN A 40 1.043 -1.399 -6.675 1.00 0.00 C ATOM 546 O ASN A 40 1.867 -2.004 -5.990 1.00 0.00 O ATOM 547 CB ASN A 40 2.964 -0.821 -8.171 1.00 0.00 C ATOM 548 CG ASN A 40 3.656 0.339 -7.484 1.00 0.00 C ATOM 549 OD1 ASN A 40 4.232 1.208 -8.140 1.00 0.00 O ATOM 550 ND2 ASN A 40 3.603 0.360 -6.158 1.00 0.00 N ATOM 0 H ASN A 40 1.419 1.249 -7.451 1.00 0.00 H new ATOM 0 HA ASN A 40 0.977 -1.344 -8.810 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.341 -1.759 -7.763 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.213 -0.812 -9.232 1.00 0.00 H new ATOM 0 HD21 ASN A 40 4.051 1.117 -5.642 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.115 -0.381 -5.655 1.00 0.00 H new ATOM 557 N TYR A 41 -0.227 -1.249 -6.316 1.00 0.00 N ATOM 558 CA TYR A 41 -0.737 -1.798 -5.065 1.00 0.00 C ATOM 559 C TYR A 41 -0.636 -3.320 -5.057 1.00 0.00 C ATOM 560 O TYR A 41 -0.044 -3.909 -4.152 1.00 0.00 O ATOM 561 CB TYR A 41 -2.191 -1.371 -4.851 1.00 0.00 C ATOM 562 CG TYR A 41 -2.843 -2.025 -3.653 1.00 0.00 C ATOM 563 CD1 TYR A 41 -3.468 -3.260 -3.765 1.00 0.00 C ATOM 564 CD2 TYR A 41 -2.834 -1.405 -2.409 1.00 0.00 C ATOM 565 CE1 TYR A 41 -4.066 -3.859 -2.673 1.00 0.00 C ATOM 566 CE2 TYR A 41 -3.428 -1.997 -1.312 1.00 0.00 C ATOM 567 CZ TYR A 41 -4.043 -3.224 -1.450 1.00 0.00 C ATOM 568 OH TYR A 41 -4.637 -3.818 -0.359 1.00 0.00 O ATOM 0 H TYR A 41 -0.922 -0.752 -6.873 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.127 -1.407 -4.251 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.229 -0.288 -4.729 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.767 -1.612 -5.744 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.487 -3.761 -4.722 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.354 -0.444 -2.299 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -4.549 -4.819 -2.777 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.411 -1.502 -0.352 1.00 0.00 H new ATOM 0 HH TYR A 41 -4.531 -3.241 0.426 1.00 0.00 H new ATOM 578 N SER A 42 -1.217 -3.951 -6.072 1.00 0.00 N ATOM 579 CA SER A 42 -1.195 -5.405 -6.182 1.00 0.00 C ATOM 580 C SER A 42 0.205 -5.903 -6.524 1.00 0.00 C ATOM 581 O SER A 42 0.672 -6.901 -5.975 1.00 0.00 O ATOM 582 CB SER A 42 -2.190 -5.872 -7.247 1.00 0.00 C ATOM 583 OG SER A 42 -1.918 -5.266 -8.499 1.00 0.00 O ATOM 0 H SER A 42 -1.709 -3.478 -6.830 1.00 0.00 H new ATOM 0 HA SER A 42 -1.484 -5.822 -5.217 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.140 -6.956 -7.346 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.205 -5.627 -6.934 1.00 0.00 H new ATOM 0 HG SER A 42 -2.566 -5.582 -9.163 1.00 0.00 H new ATOM 589 N SER A 43 0.870 -5.200 -7.435 1.00 0.00 N ATOM 590 CA SER A 43 2.216 -5.573 -7.855 1.00 0.00 C ATOM 591 C SER A 43 3.140 -5.716 -6.650 1.00 0.00 C ATOM 592 O SER A 43 3.982 -6.614 -6.601 1.00 0.00 O ATOM 593 CB SER A 43 2.779 -4.529 -8.822 1.00 0.00 C ATOM 594 OG SER A 43 4.132 -4.805 -9.138 1.00 0.00 O ATOM 0 H SER A 43 0.499 -4.369 -7.896 1.00 0.00 H new ATOM 0 HA SER A 43 2.158 -6.535 -8.364 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.184 -4.516 -9.735 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.701 -3.537 -8.377 1.00 0.00 H new ATOM 0 HG SER A 43 4.468 -4.125 -9.758 1.00 0.00 H new ATOM 600 N VAL A 44 2.978 -4.824 -5.677 1.00 0.00 N ATOM 601 CA VAL A 44 3.796 -4.850 -4.471 1.00 0.00 C ATOM 602 C VAL A 44 3.169 -5.737 -3.401 1.00 0.00 C ATOM 603 O VAL A 44 3.823 -6.628 -2.855 1.00 0.00 O ATOM 604 CB VAL A 44 3.995 -3.435 -3.896 1.00 0.00 C ATOM 605 CG1 VAL A 44 4.811 -3.489 -2.614 1.00 0.00 C ATOM 606 CG2 VAL A 44 4.662 -2.533 -4.924 1.00 0.00 C ATOM 0 H VAL A 44 2.287 -4.074 -5.701 1.00 0.00 H new ATOM 0 HA VAL A 44 4.766 -5.258 -4.756 1.00 0.00 H new ATOM 0 HB VAL A 44 3.017 -3.017 -3.658 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.941 -2.480 -2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.290 -4.100 -1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.788 -3.926 -2.822 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.795 -1.537 -4.502 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.634 -2.946 -5.194 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.035 -2.469 -5.813 1.00 0.00 H new ATOM 616 N CYS A 45 1.898 -5.489 -3.105 1.00 0.00 N ATOM 617 CA CYS A 45 1.181 -6.265 -2.099 1.00 0.00 C ATOM 618 C CYS A 45 0.874 -7.669 -2.613 1.00 0.00 C ATOM 619 O CYS A 45 1.359 -8.659 -2.066 1.00 0.00 O ATOM 620 CB CYS A 45 -0.118 -5.557 -1.711 1.00 0.00 C ATOM 621 SG CYS A 45 0.125 -3.926 -0.938 1.00 0.00 S ATOM 0 H CYS A 45 1.343 -4.757 -3.547 1.00 0.00 H new ATOM 0 HA CYS A 45 1.818 -6.350 -1.219 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.733 -5.436 -2.602 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.675 -6.194 -1.023 1.00 0.00 H new ATOM 626 N GLN A 46 0.068 -7.745 -3.666 1.00 0.00 N ATOM 627 CA GLN A 46 -0.303 -9.028 -4.253 1.00 0.00 C ATOM 628 C GLN A 46 0.887 -9.668 -4.959 1.00 0.00 C ATOM 629 O GLN A 46 1.049 -9.533 -6.171 1.00 0.00 O ATOM 630 CB GLN A 46 -1.459 -8.847 -5.238 1.00 0.00 C ATOM 631 CG GLN A 46 -2.789 -8.546 -4.568 1.00 0.00 C ATOM 632 CD GLN A 46 -3.975 -9.035 -5.377 1.00 0.00 C ATOM 633 OE1 GLN A 46 -3.847 -9.340 -6.563 1.00 0.00 O ATOM 634 NE2 GLN A 46 -5.136 -9.111 -4.739 1.00 0.00 N ATOM 0 H GLN A 46 -0.341 -6.934 -4.131 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.622 -9.689 -3.447 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.216 -8.036 -5.925 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.560 -9.752 -5.837 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.809 -9.012 -3.583 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -2.878 -7.471 -4.413 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.196 -8.848 -3.755 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.969 -9.433 -5.232 1.00 0.00 H new ATOM 643 N GLY A 47 1.719 -10.366 -4.191 1.00 0.00 N ATOM 644 CA GLY A 47 2.885 -11.016 -4.761 1.00 0.00 C ATOM 645 C GLY A 47 3.793 -11.611 -3.702 1.00 0.00 C ATOM 646 O GLY A 47 3.544 -12.711 -3.210 1.00 0.00 O ATOM 0 H GLY A 47 1.606 -10.493 -3.185 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.562 -11.803 -5.442 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.447 -10.293 -5.353 1.00 0.00 H new ATOM 650 N GLU A 48 4.848 -10.883 -3.352 1.00 0.00 N ATOM 651 CA GLU A 48 5.796 -11.347 -2.346 1.00 0.00 C ATOM 652 C GLU A 48 6.178 -12.804 -2.591 1.00 0.00 C ATOM 653 O GLU A 48 6.191 -13.618 -1.667 1.00 0.00 O ATOM 654 CB GLU A 48 5.204 -11.192 -0.944 1.00 0.00 C ATOM 655 CG GLU A 48 6.232 -11.310 0.168 1.00 0.00 C ATOM 656 CD GLU A 48 7.259 -10.195 0.134 1.00 0.00 C ATOM 657 OE1 GLU A 48 6.877 -9.044 -0.162 1.00 0.00 O ATOM 658 OE2 GLU A 48 8.447 -10.474 0.403 1.00 0.00 O ATOM 0 H GLU A 48 5.068 -9.970 -3.750 1.00 0.00 H new ATOM 0 HA GLU A 48 6.695 -10.735 -2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.713 -10.222 -0.872 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.435 -11.950 -0.798 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.722 -11.300 1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.741 -12.270 0.087 1.00 0.00 H new ATOM 665 N LYS A 49 6.488 -13.127 -3.841 1.00 0.00 N ATOM 666 CA LYS A 49 6.871 -14.485 -4.209 1.00 0.00 C ATOM 667 C LYS A 49 8.248 -14.503 -4.865 1.00 0.00 C ATOM 668 O LYS A 49 8.706 -13.492 -5.396 1.00 0.00 O ATOM 669 CB LYS A 49 5.833 -15.089 -5.159 1.00 0.00 C ATOM 670 CG LYS A 49 4.624 -15.671 -4.449 1.00 0.00 C ATOM 671 CD LYS A 49 3.563 -16.128 -5.435 1.00 0.00 C ATOM 672 CE LYS A 49 3.768 -17.580 -5.842 1.00 0.00 C ATOM 673 NZ LYS A 49 4.655 -17.702 -7.032 1.00 0.00 N ATOM 0 H LYS A 49 6.482 -12.466 -4.618 1.00 0.00 H new ATOM 0 HA LYS A 49 6.914 -15.084 -3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.499 -14.320 -5.855 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.307 -15.871 -5.752 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.935 -16.514 -3.831 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.200 -14.923 -3.778 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.575 -16.010 -4.989 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.591 -15.493 -6.321 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.200 -18.133 -5.008 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.802 -18.036 -6.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.244 -18.382 -7.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.748 -16.774 -7.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.593 -18.036 -6.733 1.00 0.00 H new ATOM 687 N SER A 50 8.902 -15.660 -4.826 1.00 0.00 N ATOM 688 CA SER A 50 10.228 -15.809 -5.415 1.00 0.00 C ATOM 689 C SER A 50 10.139 -16.442 -6.799 1.00 0.00 C ATOM 690 O SER A 50 10.948 -17.300 -7.155 1.00 0.00 O ATOM 691 CB SER A 50 11.118 -16.660 -4.509 1.00 0.00 C ATOM 692 OG SER A 50 12.470 -16.613 -4.932 1.00 0.00 O ATOM 0 H SER A 50 8.535 -16.508 -4.393 1.00 0.00 H new ATOM 0 HA SER A 50 10.668 -14.817 -5.516 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.043 -16.304 -3.482 1.00 0.00 H new ATOM 0 HB3 SER A 50 10.767 -17.692 -4.515 1.00 0.00 H new ATOM 0 HG SER A 50 12.518 -16.786 -5.895 1.00 0.00 H new ATOM 698 N SER A 51 9.150 -16.014 -7.577 1.00 0.00 N ATOM 699 CA SER A 51 8.952 -16.541 -8.923 1.00 0.00 C ATOM 700 C SER A 51 8.693 -15.413 -9.916 1.00 0.00 C ATOM 701 O SER A 51 7.859 -14.540 -9.678 1.00 0.00 O ATOM 702 CB SER A 51 7.783 -17.528 -8.940 1.00 0.00 C ATOM 703 OG SER A 51 7.517 -17.981 -10.255 1.00 0.00 O ATOM 0 H SER A 51 8.473 -15.304 -7.299 1.00 0.00 H new ATOM 0 HA SER A 51 9.863 -17.061 -9.220 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.012 -18.379 -8.298 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.893 -17.050 -8.530 1.00 0.00 H new ATOM 0 HG SER A 51 6.767 -18.612 -10.238 1.00 0.00 H new ATOM 709 N GLY A 52 9.416 -15.437 -11.031 1.00 0.00 N ATOM 710 CA GLY A 52 9.252 -14.411 -12.045 1.00 0.00 C ATOM 711 C GLY A 52 10.350 -14.446 -13.089 1.00 0.00 C ATOM 712 O GLY A 52 11.503 -14.767 -12.798 1.00 0.00 O ATOM 0 H GLY A 52 10.113 -16.149 -11.251 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.286 -14.539 -12.534 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.240 -13.431 -11.567 1.00 0.00 H new ATOM 716 N PRO A 53 9.996 -14.110 -14.338 1.00 0.00 N ATOM 717 CA PRO A 53 10.946 -14.097 -15.455 1.00 0.00 C ATOM 718 C PRO A 53 11.965 -12.970 -15.336 1.00 0.00 C ATOM 719 O PRO A 53 12.813 -12.792 -16.211 1.00 0.00 O ATOM 720 CB PRO A 53 10.051 -13.884 -16.678 1.00 0.00 C ATOM 721 CG PRO A 53 8.845 -13.188 -16.150 1.00 0.00 C ATOM 722 CD PRO A 53 8.640 -13.716 -14.757 1.00 0.00 C ATOM 0 HA PRO A 53 11.539 -15.011 -15.498 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.554 -13.284 -17.436 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.787 -14.833 -17.145 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.990 -12.108 -16.141 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.974 -13.387 -16.775 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.220 -12.957 -14.097 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.954 -14.563 -14.745 1.00 0.00 H new ATOM 730 N SER A 54 11.876 -12.210 -14.249 1.00 0.00 N ATOM 731 CA SER A 54 12.790 -11.097 -14.017 1.00 0.00 C ATOM 732 C SER A 54 14.186 -11.421 -14.541 1.00 0.00 C ATOM 733 O SER A 54 14.791 -10.626 -15.259 1.00 0.00 O ATOM 734 CB SER A 54 12.856 -10.767 -12.525 1.00 0.00 C ATOM 735 OG SER A 54 11.581 -10.404 -12.025 1.00 0.00 O ATOM 0 H SER A 54 11.180 -12.344 -13.515 1.00 0.00 H new ATOM 0 HA SER A 54 12.411 -10.229 -14.557 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.233 -11.629 -11.975 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.560 -9.951 -12.361 1.00 0.00 H new ATOM 0 HG SER A 54 11.651 -10.200 -11.069 1.00 0.00 H new ATOM 741 N SER A 55 14.689 -12.596 -14.176 1.00 0.00 N ATOM 742 CA SER A 55 16.016 -13.025 -14.605 1.00 0.00 C ATOM 743 C SER A 55 17.101 -12.196 -13.926 1.00 0.00 C ATOM 744 O SER A 55 18.067 -11.776 -14.564 1.00 0.00 O ATOM 745 CB SER A 55 16.145 -12.910 -16.126 1.00 0.00 C ATOM 746 OG SER A 55 17.281 -13.614 -16.596 1.00 0.00 O ATOM 0 H SER A 55 14.199 -13.267 -13.585 1.00 0.00 H new ATOM 0 HA SER A 55 16.146 -14.068 -14.315 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.247 -13.304 -16.601 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.221 -11.860 -16.409 1.00 0.00 H new ATOM 0 HG SER A 55 18.084 -13.273 -16.150 1.00 0.00 H new ATOM 752 N GLY A 56 16.935 -11.963 -12.628 1.00 0.00 N ATOM 753 CA GLY A 56 17.907 -11.184 -11.883 1.00 0.00 C ATOM 754 C GLY A 56 18.343 -11.871 -10.605 1.00 0.00 C ATOM 755 O GLY A 56 18.704 -11.212 -9.630 1.00 0.00 O ATOM 0 H GLY A 56 16.144 -12.300 -12.079 1.00 0.00 H new ATOM 0 HA2 GLY A 56 18.780 -11.002 -12.510 1.00 0.00 H new ATOM 0 HA3 GLY A 56 17.480 -10.211 -11.641 1.00 0.00 H new TER 759 GLY A 56