USER MOD reduce.3.24.130724 H: found=0, std=0, add=361, rem=0, adj=18 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 9 THR OG1 : rot 40:sc= 0.813 USER MOD Set 1.2: A 11 ASN : amide:sc= -2.38 K(o=-1.6,f=-3.6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 49:sc= 0.547 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 12 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00226) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 152:sc= -0.0512 (180deg=-0.939) USER MOD Single : A 34 GLN : amide:sc=-0.00154 K(o=-0.0015,f=-0.67) USER MOD Single : A 40 ASN : amide:sc= -4.55! C(o=-4.5!,f=-10!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc=0.000958 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0759 K(o=-0.076,f=-1.8!) USER MOD Single : A 49 LYS NZ :NH3+ -162:sc= -0.0125 (180deg=-0.155) USER MOD Single : A 50 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.146 9.525 -2.820 1.00 0.00 N ATOM 2 CA GLY A 1 13.949 8.796 -3.197 1.00 0.00 C ATOM 3 C GLY A 1 12.785 9.069 -2.263 1.00 0.00 C ATOM 4 O GLY A 1 11.924 9.897 -2.560 1.00 0.00 O ATOM 0 H1 GLY A 1 15.912 9.305 -3.488 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.951 10.546 -2.841 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.434 9.247 -1.860 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.667 9.069 -4.214 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.164 7.727 -3.202 1.00 0.00 H new ATOM 8 N SER A 2 12.759 8.369 -1.133 1.00 0.00 N ATOM 9 CA SER A 2 11.690 8.537 -0.156 1.00 0.00 C ATOM 10 C SER A 2 12.217 9.185 1.121 1.00 0.00 C ATOM 11 O SER A 2 11.860 8.781 2.227 1.00 0.00 O ATOM 12 CB SER A 2 11.053 7.184 0.170 1.00 0.00 C ATOM 13 OG SER A 2 12.037 6.233 0.541 1.00 0.00 O ATOM 0 H SER A 2 13.465 7.681 -0.872 1.00 0.00 H new ATOM 0 HA SER A 2 10.934 9.192 -0.589 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.334 7.303 0.980 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.500 6.821 -0.696 1.00 0.00 H new ATOM 0 HG SER A 2 11.605 5.378 0.746 1.00 0.00 H new ATOM 19 N SER A 3 13.068 10.192 0.957 1.00 0.00 N ATOM 20 CA SER A 3 13.648 10.895 2.096 1.00 0.00 C ATOM 21 C SER A 3 12.610 11.783 2.773 1.00 0.00 C ATOM 22 O SER A 3 12.488 12.966 2.456 1.00 0.00 O ATOM 23 CB SER A 3 14.843 11.739 1.646 1.00 0.00 C ATOM 24 OG SER A 3 14.476 12.630 0.608 1.00 0.00 O ATOM 0 H SER A 3 13.371 10.540 0.047 1.00 0.00 H new ATOM 0 HA SER A 3 13.988 10.151 2.816 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.233 12.303 2.493 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.645 11.086 1.302 1.00 0.00 H new ATOM 0 HG SER A 3 13.661 13.112 0.863 1.00 0.00 H new ATOM 30 N GLY A 4 11.862 11.203 3.706 1.00 0.00 N ATOM 31 CA GLY A 4 10.843 11.955 4.414 1.00 0.00 C ATOM 32 C GLY A 4 9.487 11.278 4.371 1.00 0.00 C ATOM 33 O GLY A 4 9.390 10.059 4.512 1.00 0.00 O ATOM 0 H GLY A 4 11.944 10.225 3.984 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.148 12.085 5.452 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.762 12.951 3.978 1.00 0.00 H new ATOM 37 N SER A 5 8.438 12.071 4.176 1.00 0.00 N ATOM 38 CA SER A 5 7.080 11.541 4.119 1.00 0.00 C ATOM 39 C SER A 5 6.521 11.628 2.703 1.00 0.00 C ATOM 40 O SER A 5 5.364 11.995 2.502 1.00 0.00 O ATOM 41 CB SER A 5 6.172 12.304 5.087 1.00 0.00 C ATOM 42 OG SER A 5 6.643 12.199 6.418 1.00 0.00 O ATOM 0 H SER A 5 8.502 13.082 4.055 1.00 0.00 H new ATOM 0 HA SER A 5 7.113 10.492 4.413 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.126 13.353 4.796 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.157 11.911 5.025 1.00 0.00 H new ATOM 0 HG SER A 5 6.047 12.696 7.016 1.00 0.00 H new ATOM 48 N SER A 6 7.353 11.288 1.723 1.00 0.00 N ATOM 49 CA SER A 6 6.945 11.331 0.324 1.00 0.00 C ATOM 50 C SER A 6 7.048 9.949 -0.315 1.00 0.00 C ATOM 51 O SER A 6 8.045 9.625 -0.959 1.00 0.00 O ATOM 52 CB SER A 6 7.807 12.330 -0.450 1.00 0.00 C ATOM 53 OG SER A 6 7.104 12.854 -1.565 1.00 0.00 O ATOM 0 H SER A 6 8.314 10.980 1.873 1.00 0.00 H new ATOM 0 HA SER A 6 5.904 11.653 0.284 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.107 13.144 0.210 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.720 11.841 -0.789 1.00 0.00 H new ATOM 0 HG SER A 6 7.676 13.491 -2.042 1.00 0.00 H new ATOM 59 N GLY A 7 6.011 9.140 -0.132 1.00 0.00 N ATOM 60 CA GLY A 7 6.004 7.802 -0.696 1.00 0.00 C ATOM 61 C GLY A 7 4.715 7.489 -1.429 1.00 0.00 C ATOM 62 O GLY A 7 3.686 7.229 -0.806 1.00 0.00 O ATOM 0 H GLY A 7 5.174 9.386 0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.844 7.696 -1.383 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.151 7.074 0.102 1.00 0.00 H new ATOM 66 N TRP A 8 4.770 7.515 -2.756 1.00 0.00 N ATOM 67 CA TRP A 8 3.597 7.233 -3.575 1.00 0.00 C ATOM 68 C TRP A 8 3.731 5.884 -4.271 1.00 0.00 C ATOM 69 O TRP A 8 3.393 5.744 -5.448 1.00 0.00 O ATOM 70 CB TRP A 8 3.396 8.339 -4.613 1.00 0.00 C ATOM 71 CG TRP A 8 2.961 9.642 -4.015 1.00 0.00 C ATOM 72 CD1 TRP A 8 3.542 10.864 -4.201 1.00 0.00 C ATOM 73 CD2 TRP A 8 1.852 9.853 -3.134 1.00 0.00 C ATOM 74 NE1 TRP A 8 2.862 11.822 -3.488 1.00 0.00 N ATOM 75 CE2 TRP A 8 1.820 11.228 -2.826 1.00 0.00 C ATOM 76 CE3 TRP A 8 0.883 9.016 -2.577 1.00 0.00 C ATOM 77 CZ2 TRP A 8 0.857 11.779 -1.985 1.00 0.00 C ATOM 78 CZ3 TRP A 8 -0.072 9.565 -1.742 1.00 0.00 C ATOM 79 CH2 TRP A 8 -0.079 10.936 -1.454 1.00 0.00 C ATOM 0 H TRP A 8 5.614 7.728 -3.287 1.00 0.00 H new ATOM 0 HA TRP A 8 2.727 7.198 -2.919 1.00 0.00 H new ATOM 0 HB2 TRP A 8 4.328 8.490 -5.157 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.651 8.014 -5.340 1.00 0.00 H new ATOM 0 HD1 TRP A 8 4.409 11.050 -4.818 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.095 12.814 -3.457 1.00 0.00 H new ATOM 0 HE3 TRP A 8 0.880 7.958 -2.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.850 12.835 -1.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -0.825 8.927 -1.304 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.839 11.335 -0.799 1.00 0.00 H new ATOM 90 N THR A 9 4.227 4.891 -3.540 1.00 0.00 N ATOM 91 CA THR A 9 4.407 3.552 -4.087 1.00 0.00 C ATOM 92 C THR A 9 4.174 2.487 -3.022 1.00 0.00 C ATOM 93 O THR A 9 5.005 2.287 -2.136 1.00 0.00 O ATOM 94 CB THR A 9 5.817 3.372 -4.678 1.00 0.00 C ATOM 95 OG1 THR A 9 6.805 3.584 -3.664 1.00 0.00 O ATOM 96 CG2 THR A 9 6.049 4.340 -5.829 1.00 0.00 C ATOM 0 H THR A 9 4.512 4.989 -2.566 1.00 0.00 H new ATOM 0 HA THR A 9 3.671 3.433 -4.882 1.00 0.00 H new ATOM 0 HB THR A 9 5.900 2.354 -5.058 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.498 3.189 -2.821 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.052 4.194 -6.231 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.314 4.156 -6.613 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.948 5.364 -5.469 1.00 0.00 H new ATOM 104 N CYS A 10 3.039 1.802 -3.115 1.00 0.00 N ATOM 105 CA CYS A 10 2.696 0.756 -2.159 1.00 0.00 C ATOM 106 C CYS A 10 3.897 -0.147 -1.888 1.00 0.00 C ATOM 107 O CYS A 10 4.703 -0.409 -2.779 1.00 0.00 O ATOM 108 CB CYS A 10 1.525 -0.079 -2.683 1.00 0.00 C ATOM 109 SG CYS A 10 -0.108 0.680 -2.411 1.00 0.00 S ATOM 0 H CYS A 10 2.341 1.953 -3.843 1.00 0.00 H new ATOM 0 HA CYS A 10 2.403 1.234 -1.224 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.662 -0.248 -3.751 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.545 -1.056 -2.201 1.00 0.00 H new ATOM 114 N ASN A 11 4.006 -0.619 -0.651 1.00 0.00 N ATOM 115 CA ASN A 11 5.108 -1.492 -0.261 1.00 0.00 C ATOM 116 C ASN A 11 4.600 -2.677 0.555 1.00 0.00 C ATOM 117 O ASN A 11 3.616 -2.566 1.286 1.00 0.00 O ATOM 118 CB ASN A 11 6.145 -0.709 0.546 1.00 0.00 C ATOM 119 CG ASN A 11 6.806 0.385 -0.268 1.00 0.00 C ATOM 120 OD1 ASN A 11 6.622 0.467 -1.482 1.00 0.00 O ATOM 121 ND2 ASN A 11 7.581 1.234 0.399 1.00 0.00 N ATOM 0 H ASN A 11 3.346 -0.412 0.098 1.00 0.00 H new ATOM 0 HA ASN A 11 5.576 -1.873 -1.169 1.00 0.00 H new ATOM 0 HB2 ASN A 11 5.664 -0.268 1.419 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.908 -1.395 0.915 1.00 0.00 H new ATOM 0 HD21 ASN A 11 8.052 1.992 -0.096 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.705 1.128 1.406 1.00 0.00 H new ATOM 128 N LYS A 12 5.280 -3.812 0.426 1.00 0.00 N ATOM 129 CA LYS A 12 4.901 -5.018 1.152 1.00 0.00 C ATOM 130 C LYS A 12 4.487 -4.685 2.582 1.00 0.00 C ATOM 131 O LYS A 12 3.497 -5.210 3.091 1.00 0.00 O ATOM 132 CB LYS A 12 6.061 -6.016 1.165 1.00 0.00 C ATOM 133 CG LYS A 12 6.521 -6.431 -0.222 1.00 0.00 C ATOM 134 CD LYS A 12 5.623 -7.508 -0.808 1.00 0.00 C ATOM 135 CE LYS A 12 5.857 -7.674 -2.303 1.00 0.00 C ATOM 136 NZ LYS A 12 7.232 -8.161 -2.598 1.00 0.00 N ATOM 0 H LYS A 12 6.097 -3.921 -0.175 1.00 0.00 H new ATOM 0 HA LYS A 12 4.049 -5.467 0.641 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.902 -5.576 1.701 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.759 -6.904 1.720 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.526 -5.562 -0.880 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.546 -6.798 -0.172 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.810 -8.455 -0.302 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.579 -7.251 -0.628 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.128 -8.376 -2.709 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.694 -6.720 -2.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.346 -8.277 -3.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.927 -7.471 -2.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.385 -9.076 -2.127 1.00 0.00 H new ATOM 150 N PHE A 13 5.251 -3.809 3.226 1.00 0.00 N ATOM 151 CA PHE A 13 4.964 -3.406 4.597 1.00 0.00 C ATOM 152 C PHE A 13 3.681 -2.582 4.664 1.00 0.00 C ATOM 153 O PHE A 13 2.742 -2.935 5.378 1.00 0.00 O ATOM 154 CB PHE A 13 6.132 -2.599 5.169 1.00 0.00 C ATOM 155 CG PHE A 13 7.318 -3.442 5.542 1.00 0.00 C ATOM 156 CD1 PHE A 13 7.300 -4.216 6.692 1.00 0.00 C ATOM 157 CD2 PHE A 13 8.449 -3.462 4.744 1.00 0.00 C ATOM 158 CE1 PHE A 13 8.389 -4.992 7.037 1.00 0.00 C ATOM 159 CE2 PHE A 13 9.543 -4.236 5.083 1.00 0.00 C ATOM 160 CZ PHE A 13 9.512 -5.003 6.232 1.00 0.00 C ATOM 0 H PHE A 13 6.074 -3.364 2.820 1.00 0.00 H new ATOM 0 HA PHE A 13 4.828 -4.308 5.194 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.442 -1.854 4.436 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.791 -2.056 6.050 1.00 0.00 H new ATOM 0 HD1 PHE A 13 6.425 -4.212 7.325 1.00 0.00 H new ATOM 0 HD2 PHE A 13 8.477 -2.865 3.845 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.363 -5.590 7.936 1.00 0.00 H new ATOM 0 HE2 PHE A 13 10.419 -4.241 4.452 1.00 0.00 H new ATOM 0 HZ PHE A 13 10.364 -5.610 6.500 1.00 0.00 H new ATOM 170 N ARG A 14 3.650 -1.484 3.918 1.00 0.00 N ATOM 171 CA ARG A 14 2.484 -0.609 3.893 1.00 0.00 C ATOM 172 C ARG A 14 1.199 -1.420 3.752 1.00 0.00 C ATOM 173 O ARG A 14 0.226 -1.193 4.473 1.00 0.00 O ATOM 174 CB ARG A 14 2.596 0.393 2.743 1.00 0.00 C ATOM 175 CG ARG A 14 3.663 1.453 2.961 1.00 0.00 C ATOM 176 CD ARG A 14 3.470 2.638 2.026 1.00 0.00 C ATOM 177 NE ARG A 14 2.273 3.406 2.357 1.00 0.00 N ATOM 178 CZ ARG A 14 1.622 4.165 1.481 1.00 0.00 C ATOM 179 NH1 ARG A 14 2.051 4.255 0.230 1.00 0.00 N ATOM 180 NH2 ARG A 14 0.540 4.834 1.858 1.00 0.00 N ATOM 0 H ARG A 14 4.419 -1.178 3.322 1.00 0.00 H new ATOM 0 HA ARG A 14 2.449 -0.065 4.837 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.815 -0.147 1.822 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.632 0.883 2.604 1.00 0.00 H new ATOM 0 HG2 ARG A 14 3.632 1.795 3.995 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.649 1.017 2.799 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.344 3.288 2.079 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.399 2.281 0.998 1.00 0.00 H new ATOM 0 HE ARG A 14 1.917 3.358 3.312 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.882 3.741 -0.062 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.550 4.838 -0.440 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.208 4.766 2.820 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.041 5.416 1.186 1.00 0.00 H new ATOM 194 N CYS A 15 1.201 -2.366 2.819 1.00 0.00 N ATOM 195 CA CYS A 15 0.038 -3.210 2.581 1.00 0.00 C ATOM 196 C CYS A 15 -0.708 -3.488 3.883 1.00 0.00 C ATOM 197 O CYS A 15 -0.274 -4.301 4.699 1.00 0.00 O ATOM 198 CB CYS A 15 0.461 -4.529 1.933 1.00 0.00 C ATOM 199 SG CYS A 15 1.349 -4.330 0.355 1.00 0.00 S ATOM 0 H CYS A 15 1.998 -2.567 2.214 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.631 -2.679 1.904 1.00 0.00 H new ATOM 0 HB2 CYS A 15 1.097 -5.076 2.629 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.426 -5.140 1.764 1.00 0.00 H new ATOM 204 N GLY A 16 -1.833 -2.804 4.073 1.00 0.00 N ATOM 205 CA GLY A 16 -2.620 -2.990 5.277 1.00 0.00 C ATOM 206 C GLY A 16 -2.340 -1.930 6.323 1.00 0.00 C ATOM 207 O GLY A 16 -2.013 -2.248 7.466 1.00 0.00 O ATOM 0 H GLY A 16 -2.213 -2.124 3.414 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.679 -2.972 5.021 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.410 -3.974 5.696 1.00 0.00 H new ATOM 211 N GLU A 17 -2.466 -0.666 5.932 1.00 0.00 N ATOM 212 CA GLU A 17 -2.220 0.444 6.844 1.00 0.00 C ATOM 213 C GLU A 17 -3.459 1.326 6.974 1.00 0.00 C ATOM 214 O GLU A 17 -4.279 1.403 6.059 1.00 0.00 O ATOM 215 CB GLU A 17 -1.034 1.279 6.359 1.00 0.00 C ATOM 216 CG GLU A 17 -1.198 1.805 4.944 1.00 0.00 C ATOM 217 CD GLU A 17 -0.076 2.739 4.534 1.00 0.00 C ATOM 218 OE1 GLU A 17 1.078 2.269 4.429 1.00 0.00 O ATOM 219 OE2 GLU A 17 -0.349 3.937 4.318 1.00 0.00 O ATOM 0 H GLU A 17 -2.737 -0.385 4.990 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.986 0.030 7.825 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.892 2.121 7.036 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.129 0.673 6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.238 0.965 4.251 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.150 2.330 4.864 1.00 0.00 H new ATOM 226 N LYS A 18 -3.589 1.990 8.118 1.00 0.00 N ATOM 227 CA LYS A 18 -4.725 2.869 8.369 1.00 0.00 C ATOM 228 C LYS A 18 -4.268 4.188 8.981 1.00 0.00 C ATOM 229 O LYS A 18 -4.912 4.719 9.887 1.00 0.00 O ATOM 230 CB LYS A 18 -5.728 2.183 9.299 1.00 0.00 C ATOM 231 CG LYS A 18 -5.172 1.883 10.680 1.00 0.00 C ATOM 232 CD LYS A 18 -4.472 0.536 10.719 1.00 0.00 C ATOM 233 CE LYS A 18 -4.012 0.187 12.125 1.00 0.00 C ATOM 234 NZ LYS A 18 -5.143 -0.256 12.986 1.00 0.00 N ATOM 0 H LYS A 18 -2.921 1.936 8.887 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.208 3.081 7.415 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.608 2.818 9.401 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.058 1.251 8.839 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.472 2.666 10.969 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.982 1.894 11.409 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.148 -0.237 10.354 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.613 0.552 10.048 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.262 -0.603 12.076 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.531 1.055 12.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.787 -0.485 13.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.847 0.507 13.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.586 -1.100 12.570 1.00 0.00 H new ATOM 248 N ARG A 19 -3.155 4.714 8.480 1.00 0.00 N ATOM 249 CA ARG A 19 -2.613 5.973 8.977 1.00 0.00 C ATOM 250 C ARG A 19 -2.638 7.042 7.890 1.00 0.00 C ATOM 251 O ARG A 19 -1.652 7.751 7.678 1.00 0.00 O ATOM 252 CB ARG A 19 -1.181 5.772 9.479 1.00 0.00 C ATOM 253 CG ARG A 19 -0.623 6.976 10.220 1.00 0.00 C ATOM 254 CD ARG A 19 -0.922 6.902 11.709 1.00 0.00 C ATOM 255 NE ARG A 19 -0.309 5.731 12.333 1.00 0.00 N ATOM 256 CZ ARG A 19 0.945 5.704 12.770 1.00 0.00 C ATOM 257 NH1 ARG A 19 1.716 6.777 12.653 1.00 0.00 N ATOM 258 NH2 ARG A 19 1.431 4.601 13.326 1.00 0.00 N ATOM 0 H ARG A 19 -2.611 4.288 7.730 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.238 6.308 9.805 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.154 4.905 10.139 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.535 5.547 8.630 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.455 7.031 10.067 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.051 7.889 9.807 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.557 7.806 12.197 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.001 6.871 11.861 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.875 4.889 12.439 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.346 7.627 12.226 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.678 6.753 12.990 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.841 3.774 13.418 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.394 4.581 13.661 1.00 0.00 H new ATOM 272 N LEU A 20 -3.770 7.155 7.204 1.00 0.00 N ATOM 273 CA LEU A 20 -3.923 8.140 6.137 1.00 0.00 C ATOM 274 C LEU A 20 -5.396 8.444 5.886 1.00 0.00 C ATOM 275 O LEU A 20 -6.238 7.545 5.897 1.00 0.00 O ATOM 276 CB LEU A 20 -3.268 7.633 4.851 1.00 0.00 C ATOM 277 CG LEU A 20 -4.019 6.528 4.106 1.00 0.00 C ATOM 278 CD1 LEU A 20 -3.552 6.447 2.660 1.00 0.00 C ATOM 279 CD2 LEU A 20 -3.829 5.190 4.805 1.00 0.00 C ATOM 0 H LEU A 20 -4.595 6.578 7.367 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.429 9.060 6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.140 8.478 4.174 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.271 7.266 5.095 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.082 6.770 4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.097 5.656 2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.740 7.399 2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.484 6.228 2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.370 4.415 4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.768 4.941 4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.212 5.254 5.823 1.00 0.00 H new ATOM 291 N THR A 21 -5.701 9.717 5.657 1.00 0.00 N ATOM 292 CA THR A 21 -7.072 10.141 5.401 1.00 0.00 C ATOM 293 C THR A 21 -7.252 10.574 3.950 1.00 0.00 C ATOM 294 O THR A 21 -8.053 9.996 3.216 1.00 0.00 O ATOM 295 CB THR A 21 -7.483 11.302 6.326 1.00 0.00 C ATOM 296 OG1 THR A 21 -7.150 10.989 7.683 1.00 0.00 O ATOM 297 CG2 THR A 21 -8.975 11.580 6.215 1.00 0.00 C ATOM 0 H THR A 21 -5.017 10.473 5.644 1.00 0.00 H new ATOM 0 HA THR A 21 -7.711 9.282 5.603 1.00 0.00 H new ATOM 0 HB THR A 21 -6.939 12.194 6.016 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.413 11.733 8.264 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.242 12.404 6.877 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.220 11.847 5.187 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.533 10.689 6.501 1.00 0.00 H new ATOM 305 N ARG A 22 -6.502 11.592 3.545 1.00 0.00 N ATOM 306 CA ARG A 22 -6.580 12.103 2.181 1.00 0.00 C ATOM 307 C ARG A 22 -5.201 12.119 1.527 1.00 0.00 C ATOM 308 O ARG A 22 -4.387 13.003 1.794 1.00 0.00 O ATOM 309 CB ARG A 22 -7.176 13.512 2.175 1.00 0.00 C ATOM 310 CG ARG A 22 -8.664 13.546 2.483 1.00 0.00 C ATOM 311 CD ARG A 22 -9.491 13.101 1.287 1.00 0.00 C ATOM 312 NE ARG A 22 -9.321 13.992 0.142 1.00 0.00 N ATOM 313 CZ ARG A 22 -9.753 13.708 -1.081 1.00 0.00 C ATOM 314 NH1 ARG A 22 -10.379 12.562 -1.317 1.00 0.00 N ATOM 315 NH2 ARG A 22 -9.561 14.569 -2.071 1.00 0.00 N ATOM 0 H ARG A 22 -5.833 12.080 4.141 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.227 11.440 1.607 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.648 14.124 2.907 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.005 13.965 1.198 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.875 12.898 3.334 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.954 14.556 2.771 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.204 12.088 1.004 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.544 13.067 1.567 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.844 14.881 0.290 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.529 11.897 -0.558 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.710 12.346 -2.257 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.081 15.451 -1.894 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.894 14.349 -3.010 1.00 0.00 H new ATOM 329 N SER A 23 -4.947 11.136 0.670 1.00 0.00 N ATOM 330 CA SER A 23 -3.666 11.034 -0.020 1.00 0.00 C ATOM 331 C SER A 23 -3.855 10.531 -1.447 1.00 0.00 C ATOM 332 O SER A 23 -4.783 9.772 -1.732 1.00 0.00 O ATOM 333 CB SER A 23 -2.726 10.099 0.743 1.00 0.00 C ATOM 334 OG SER A 23 -2.272 10.699 1.944 1.00 0.00 O ATOM 0 H SER A 23 -5.611 10.398 0.436 1.00 0.00 H new ATOM 0 HA SER A 23 -3.223 12.029 -0.061 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.242 9.167 0.971 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.872 9.845 0.115 1.00 0.00 H new ATOM 0 HG SER A 23 -1.674 10.080 2.413 1.00 0.00 H new ATOM 340 N LEU A 24 -2.970 10.958 -2.340 1.00 0.00 N ATOM 341 CA LEU A 24 -3.039 10.551 -3.740 1.00 0.00 C ATOM 342 C LEU A 24 -3.547 9.119 -3.866 1.00 0.00 C ATOM 343 O LEU A 24 -4.508 8.851 -4.587 1.00 0.00 O ATOM 344 CB LEU A 24 -1.662 10.676 -4.394 1.00 0.00 C ATOM 345 CG LEU A 24 -1.056 12.080 -4.423 1.00 0.00 C ATOM 346 CD1 LEU A 24 0.293 12.065 -5.125 1.00 0.00 C ATOM 347 CD2 LEU A 24 -2.004 13.054 -5.107 1.00 0.00 C ATOM 0 H LEU A 24 -2.196 11.586 -2.121 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.740 11.211 -4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.972 10.015 -3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.735 10.312 -5.419 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.904 12.411 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.709 13.073 -5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.972 11.398 -4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.166 11.714 -6.149 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.558 14.048 -5.119 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.187 12.726 -6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.948 13.087 -4.562 1.00 0.00 H new ATOM 359 N CYS A 25 -2.896 8.201 -3.160 1.00 0.00 N ATOM 360 CA CYS A 25 -3.281 6.795 -3.191 1.00 0.00 C ATOM 361 C CYS A 25 -3.443 6.244 -1.777 1.00 0.00 C ATOM 362 O CYS A 25 -3.160 6.931 -0.796 1.00 0.00 O ATOM 363 CB CYS A 25 -2.238 5.975 -3.953 1.00 0.00 C ATOM 364 SG CYS A 25 -0.806 5.474 -2.946 1.00 0.00 S ATOM 0 H CYS A 25 -2.098 8.406 -2.558 1.00 0.00 H new ATOM 0 HA CYS A 25 -4.239 6.718 -3.704 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -2.716 5.082 -4.355 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.884 6.557 -4.804 1.00 0.00 H new ATOM 369 N ALA A 26 -3.902 5.001 -1.681 1.00 0.00 N ATOM 370 CA ALA A 26 -4.100 4.356 -0.389 1.00 0.00 C ATOM 371 C ALA A 26 -3.929 2.845 -0.496 1.00 0.00 C ATOM 372 O ALA A 26 -4.649 2.180 -1.242 1.00 0.00 O ATOM 373 CB ALA A 26 -5.476 4.695 0.165 1.00 0.00 C ATOM 0 H ALA A 26 -4.144 4.420 -2.484 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.341 4.733 0.296 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.610 4.207 1.130 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.562 5.774 0.289 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.243 4.347 -0.527 1.00 0.00 H new ATOM 379 N CYS A 27 -2.971 2.308 0.251 1.00 0.00 N ATOM 380 CA CYS A 27 -2.703 0.874 0.239 1.00 0.00 C ATOM 381 C CYS A 27 -3.539 0.157 1.295 1.00 0.00 C ATOM 382 O CYS A 27 -3.058 -0.754 1.968 1.00 0.00 O ATOM 383 CB CYS A 27 -1.217 0.610 0.483 1.00 0.00 C ATOM 384 SG CYS A 27 -0.105 1.551 -0.611 1.00 0.00 S ATOM 0 H CYS A 27 -2.366 2.844 0.873 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.977 0.486 -0.742 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.981 0.853 1.519 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.022 -0.454 0.353 1.00 0.00 H new ATOM 389 N SER A 28 -4.793 0.574 1.433 1.00 0.00 N ATOM 390 CA SER A 28 -5.696 -0.026 2.410 1.00 0.00 C ATOM 391 C SER A 28 -6.866 -0.715 1.715 1.00 0.00 C ATOM 392 O SER A 28 -7.355 -0.248 0.687 1.00 0.00 O ATOM 393 CB SER A 28 -6.217 1.040 3.375 1.00 0.00 C ATOM 394 OG SER A 28 -6.820 2.114 2.674 1.00 0.00 O ATOM 0 H SER A 28 -5.208 1.325 0.881 1.00 0.00 H new ATOM 0 HA SER A 28 -5.139 -0.774 2.973 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.942 0.595 4.057 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.395 1.416 3.984 1.00 0.00 H new ATOM 0 HG SER A 28 -7.146 2.781 3.314 1.00 0.00 H new ATOM 400 N ASP A 29 -7.309 -1.831 2.284 1.00 0.00 N ATOM 401 CA ASP A 29 -8.422 -2.586 1.722 1.00 0.00 C ATOM 402 C ASP A 29 -9.513 -1.649 1.213 1.00 0.00 C ATOM 403 O ASP A 29 -10.076 -1.861 0.139 1.00 0.00 O ATOM 404 CB ASP A 29 -9.000 -3.539 2.769 1.00 0.00 C ATOM 405 CG ASP A 29 -9.509 -2.810 3.997 1.00 0.00 C ATOM 406 OD1 ASP A 29 -8.679 -2.428 4.848 1.00 0.00 O ATOM 407 OD2 ASP A 29 -10.740 -2.621 4.107 1.00 0.00 O ATOM 0 H ASP A 29 -6.914 -2.233 3.134 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.045 -3.168 0.880 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -9.815 -4.110 2.325 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.234 -4.255 3.067 1.00 0.00 H new ATOM 412 N ASP A 30 -9.806 -0.613 1.991 1.00 0.00 N ATOM 413 CA ASP A 30 -10.828 0.358 1.618 1.00 0.00 C ATOM 414 C ASP A 30 -10.594 0.879 0.203 1.00 0.00 C ATOM 415 O ASP A 30 -11.532 1.025 -0.580 1.00 0.00 O ATOM 416 CB ASP A 30 -10.841 1.522 2.609 1.00 0.00 C ATOM 417 CG ASP A 30 -11.739 1.258 3.802 1.00 0.00 C ATOM 418 OD1 ASP A 30 -12.837 0.698 3.605 1.00 0.00 O ATOM 419 OD2 ASP A 30 -11.342 1.610 4.932 1.00 0.00 O ATOM 0 H ASP A 30 -9.350 -0.424 2.884 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.796 -0.142 1.645 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.825 1.710 2.957 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.176 2.425 2.099 1.00 0.00 H new ATOM 424 N CYS A 31 -9.335 1.160 -0.117 1.00 0.00 N ATOM 425 CA CYS A 31 -8.976 1.666 -1.436 1.00 0.00 C ATOM 426 C CYS A 31 -9.654 0.854 -2.534 1.00 0.00 C ATOM 427 O CYS A 31 -10.038 1.390 -3.573 1.00 0.00 O ATOM 428 CB CYS A 31 -7.458 1.631 -1.623 1.00 0.00 C ATOM 429 SG CYS A 31 -6.818 0.025 -2.197 1.00 0.00 S ATOM 0 H CYS A 31 -8.546 1.046 0.520 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.320 2.698 -1.507 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.173 2.401 -2.340 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.980 1.884 -0.677 1.00 0.00 H new ATOM 434 N LYS A 32 -9.800 -0.445 -2.297 1.00 0.00 N ATOM 435 CA LYS A 32 -10.433 -1.335 -3.264 1.00 0.00 C ATOM 436 C LYS A 32 -11.829 -0.837 -3.627 1.00 0.00 C ATOM 437 O LYS A 32 -12.221 -0.857 -4.794 1.00 0.00 O ATOM 438 CB LYS A 32 -10.517 -2.755 -2.703 1.00 0.00 C ATOM 439 CG LYS A 32 -9.170 -3.452 -2.608 1.00 0.00 C ATOM 440 CD LYS A 32 -8.629 -3.810 -3.982 1.00 0.00 C ATOM 441 CE LYS A 32 -9.083 -5.194 -4.419 1.00 0.00 C ATOM 442 NZ LYS A 32 -10.400 -5.152 -5.112 1.00 0.00 N ATOM 0 H LYS A 32 -9.488 -0.906 -1.442 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.822 -1.344 -4.167 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.969 -2.719 -1.712 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.180 -3.347 -3.334 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.460 -2.804 -2.094 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.269 -4.357 -2.008 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.963 -3.070 -4.709 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.540 -3.772 -3.966 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.336 -5.628 -5.084 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.151 -5.846 -3.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.464 -5.944 -5.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.164 -5.230 -4.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.493 -4.253 -5.627 1.00 0.00 H new ATOM 456 N ASP A 33 -12.573 -0.392 -2.621 1.00 0.00 N ATOM 457 CA ASP A 33 -13.925 0.113 -2.836 1.00 0.00 C ATOM 458 C ASP A 33 -13.893 1.539 -3.376 1.00 0.00 C ATOM 459 O ASP A 33 -14.487 1.832 -4.414 1.00 0.00 O ATOM 460 CB ASP A 33 -14.722 0.067 -1.531 1.00 0.00 C ATOM 461 CG ASP A 33 -14.768 -1.325 -0.930 1.00 0.00 C ATOM 462 OD1 ASP A 33 -13.727 -1.784 -0.416 1.00 0.00 O ATOM 463 OD2 ASP A 33 -15.846 -1.953 -0.972 1.00 0.00 O ATOM 0 H ASP A 33 -12.264 -0.370 -1.649 1.00 0.00 H new ATOM 0 HA ASP A 33 -14.412 -0.525 -3.574 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.277 0.755 -0.812 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -15.739 0.413 -1.717 1.00 0.00 H new ATOM 468 N GLN A 34 -13.196 2.420 -2.667 1.00 0.00 N ATOM 469 CA GLN A 34 -13.089 3.815 -3.075 1.00 0.00 C ATOM 470 C GLN A 34 -12.501 3.929 -4.478 1.00 0.00 C ATOM 471 O GLN A 34 -13.136 4.461 -5.388 1.00 0.00 O ATOM 472 CB GLN A 34 -12.224 4.595 -2.083 1.00 0.00 C ATOM 473 CG GLN A 34 -12.909 4.853 -0.751 1.00 0.00 C ATOM 474 CD GLN A 34 -12.327 6.045 -0.016 1.00 0.00 C ATOM 475 OE1 GLN A 34 -11.208 6.475 -0.297 1.00 0.00 O ATOM 476 NE2 GLN A 34 -13.084 6.585 0.931 1.00 0.00 N ATOM 0 H GLN A 34 -12.697 2.192 -1.807 1.00 0.00 H new ATOM 0 HA GLN A 34 -14.092 4.241 -3.085 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.301 4.043 -1.906 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.945 5.549 -2.529 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.973 5.019 -0.920 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.821 3.966 -0.124 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -14.006 6.196 1.131 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.744 7.389 1.459 1.00 0.00 H new ATOM 485 N GLY A 35 -11.283 3.423 -4.647 1.00 0.00 N ATOM 486 CA GLY A 35 -10.630 3.478 -5.942 1.00 0.00 C ATOM 487 C GLY A 35 -9.429 4.403 -5.947 1.00 0.00 C ATOM 488 O GLY A 35 -9.305 5.266 -6.815 1.00 0.00 O ATOM 0 H GLY A 35 -10.737 2.976 -3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.313 2.475 -6.229 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.346 3.813 -6.693 1.00 0.00 H new ATOM 492 N ASP A 36 -8.543 4.225 -4.972 1.00 0.00 N ATOM 493 CA ASP A 36 -7.346 5.052 -4.867 1.00 0.00 C ATOM 494 C ASP A 36 -6.092 4.186 -4.807 1.00 0.00 C ATOM 495 O ASP A 36 -4.971 4.691 -4.885 1.00 0.00 O ATOM 496 CB ASP A 36 -7.424 5.945 -3.629 1.00 0.00 C ATOM 497 CG ASP A 36 -8.197 7.224 -3.885 1.00 0.00 C ATOM 498 OD1 ASP A 36 -8.221 7.681 -5.046 1.00 0.00 O ATOM 499 OD2 ASP A 36 -8.781 7.767 -2.923 1.00 0.00 O ATOM 0 H ASP A 36 -8.631 3.516 -4.244 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.290 5.681 -5.755 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.898 5.394 -2.817 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.415 6.193 -3.300 1.00 0.00 H new ATOM 504 N CYS A 37 -6.287 2.879 -4.664 1.00 0.00 N ATOM 505 CA CYS A 37 -5.172 1.942 -4.591 1.00 0.00 C ATOM 506 C CYS A 37 -4.018 2.400 -5.479 1.00 0.00 C ATOM 507 O CYS A 37 -4.168 2.525 -6.695 1.00 0.00 O ATOM 508 CB CYS A 37 -5.627 0.543 -5.007 1.00 0.00 C ATOM 509 SG CYS A 37 -7.149 -0.022 -4.180 1.00 0.00 S ATOM 0 H CYS A 37 -7.207 2.445 -4.596 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.822 1.911 -3.559 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.786 0.530 -6.085 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.827 -0.166 -4.795 1.00 0.00 H new ATOM 514 N CYS A 38 -2.867 2.646 -4.863 1.00 0.00 N ATOM 515 CA CYS A 38 -1.686 3.089 -5.596 1.00 0.00 C ATOM 516 C CYS A 38 -1.509 2.284 -6.879 1.00 0.00 C ATOM 517 O CYS A 38 -1.972 1.147 -6.980 1.00 0.00 O ATOM 518 CB CYS A 38 -0.439 2.957 -4.721 1.00 0.00 C ATOM 519 SG CYS A 38 -0.684 3.477 -2.992 1.00 0.00 S ATOM 0 H CYS A 38 -2.726 2.546 -3.858 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.825 4.137 -5.862 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -0.108 1.919 -4.733 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.363 3.552 -5.158 1.00 0.00 H new ATOM 524 N ILE A 39 -0.836 2.881 -7.857 1.00 0.00 N ATOM 525 CA ILE A 39 -0.596 2.218 -9.133 1.00 0.00 C ATOM 526 C ILE A 39 0.080 0.866 -8.932 1.00 0.00 C ATOM 527 O ILE A 39 -0.145 -0.071 -9.696 1.00 0.00 O ATOM 528 CB ILE A 39 0.278 3.083 -10.061 1.00 0.00 C ATOM 529 CG1 ILE A 39 0.479 2.384 -11.406 1.00 0.00 C ATOM 530 CG2 ILE A 39 1.618 3.377 -9.404 1.00 0.00 C ATOM 531 CD1 ILE A 39 0.933 3.313 -12.509 1.00 0.00 C ATOM 0 H ILE A 39 -0.448 3.822 -7.790 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.570 2.069 -9.599 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.232 4.030 -10.238 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.215 1.589 -11.286 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.457 1.910 -11.703 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.224 3.989 -10.072 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.455 3.913 -8.469 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.136 2.440 -9.200 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.055 2.748 -13.433 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.187 4.094 -12.657 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.885 3.767 -12.233 1.00 0.00 H new ATOM 543 N ASN A 40 0.909 0.774 -7.897 1.00 0.00 N ATOM 544 CA ASN A 40 1.618 -0.465 -7.594 1.00 0.00 C ATOM 545 C ASN A 40 1.071 -1.108 -6.323 1.00 0.00 C ATOM 546 O ASN A 40 1.826 -1.643 -5.511 1.00 0.00 O ATOM 547 CB ASN A 40 3.115 -0.194 -7.438 1.00 0.00 C ATOM 548 CG ASN A 40 3.413 0.774 -6.311 1.00 0.00 C ATOM 549 OD1 ASN A 40 2.784 1.827 -6.199 1.00 0.00 O ATOM 550 ND2 ASN A 40 4.379 0.423 -5.468 1.00 0.00 N ATOM 0 H ASN A 40 1.106 1.541 -7.255 1.00 0.00 H new ATOM 0 HA ASN A 40 1.465 -1.155 -8.424 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.634 -1.134 -7.252 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.508 0.208 -8.372 1.00 0.00 H new ATOM 0 HD21 ASN A 40 4.625 1.036 -4.691 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.874 -0.459 -5.599 1.00 0.00 H new ATOM 557 N TYR A 41 -0.246 -1.052 -6.158 1.00 0.00 N ATOM 558 CA TYR A 41 -0.894 -1.627 -4.986 1.00 0.00 C ATOM 559 C TYR A 41 -0.812 -3.150 -5.009 1.00 0.00 C ATOM 560 O TYR A 41 -0.264 -3.767 -4.096 1.00 0.00 O ATOM 561 CB TYR A 41 -2.358 -1.185 -4.918 1.00 0.00 C ATOM 562 CG TYR A 41 -3.183 -1.973 -3.927 1.00 0.00 C ATOM 563 CD1 TYR A 41 -3.012 -1.800 -2.558 1.00 0.00 C ATOM 564 CD2 TYR A 41 -4.132 -2.891 -4.357 1.00 0.00 C ATOM 565 CE1 TYR A 41 -3.763 -2.519 -1.648 1.00 0.00 C ATOM 566 CE2 TYR A 41 -4.889 -3.613 -3.453 1.00 0.00 C ATOM 567 CZ TYR A 41 -4.701 -3.424 -2.101 1.00 0.00 C ATOM 568 OH TYR A 41 -5.451 -4.142 -1.198 1.00 0.00 O ATOM 0 H TYR A 41 -0.885 -0.614 -6.821 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.371 -1.267 -4.100 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.398 -0.129 -4.652 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.804 -1.282 -5.908 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.280 -1.092 -2.200 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.281 -3.044 -5.416 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -3.617 -2.373 -0.588 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.624 -4.322 -3.805 1.00 0.00 H new ATOM 0 HH TYR A 41 -6.065 -4.734 -1.680 1.00 0.00 H new ATOM 578 N SER A 42 -1.360 -3.750 -6.062 1.00 0.00 N ATOM 579 CA SER A 42 -1.352 -5.200 -6.205 1.00 0.00 C ATOM 580 C SER A 42 0.050 -5.707 -6.532 1.00 0.00 C ATOM 581 O SER A 42 0.525 -6.676 -5.940 1.00 0.00 O ATOM 582 CB SER A 42 -2.329 -5.631 -7.300 1.00 0.00 C ATOM 583 OG SER A 42 -2.095 -4.919 -8.502 1.00 0.00 O ATOM 0 H SER A 42 -1.815 -3.253 -6.828 1.00 0.00 H new ATOM 0 HA SER A 42 -1.665 -5.635 -5.256 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.227 -6.701 -7.482 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.352 -5.460 -6.966 1.00 0.00 H new ATOM 0 HG SER A 42 -2.731 -5.214 -9.186 1.00 0.00 H new ATOM 589 N SER A 43 0.707 -5.042 -7.476 1.00 0.00 N ATOM 590 CA SER A 43 2.053 -5.426 -7.885 1.00 0.00 C ATOM 591 C SER A 43 2.940 -5.672 -6.669 1.00 0.00 C ATOM 592 O SER A 43 3.785 -6.568 -6.673 1.00 0.00 O ATOM 593 CB SER A 43 2.670 -4.339 -8.769 1.00 0.00 C ATOM 594 OG SER A 43 3.619 -4.890 -9.665 1.00 0.00 O ATOM 0 H SER A 43 0.329 -4.235 -7.972 1.00 0.00 H new ATOM 0 HA SER A 43 1.983 -6.352 -8.456 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.885 -3.834 -9.331 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.150 -3.586 -8.144 1.00 0.00 H new ATOM 0 HG SER A 43 3.998 -4.176 -10.220 1.00 0.00 H new ATOM 600 N VAL A 44 2.744 -4.869 -5.628 1.00 0.00 N ATOM 601 CA VAL A 44 3.524 -4.998 -4.403 1.00 0.00 C ATOM 602 C VAL A 44 2.798 -5.862 -3.377 1.00 0.00 C ATOM 603 O VAL A 44 3.360 -6.820 -2.847 1.00 0.00 O ATOM 604 CB VAL A 44 3.824 -3.622 -3.780 1.00 0.00 C ATOM 605 CG1 VAL A 44 4.557 -3.783 -2.457 1.00 0.00 C ATOM 606 CG2 VAL A 44 4.629 -2.765 -4.745 1.00 0.00 C ATOM 0 H VAL A 44 2.051 -4.121 -5.609 1.00 0.00 H new ATOM 0 HA VAL A 44 4.464 -5.477 -4.676 1.00 0.00 H new ATOM 0 HB VAL A 44 2.878 -3.117 -3.584 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.760 -2.800 -2.032 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.939 -4.356 -1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.498 -4.308 -2.624 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.832 -1.796 -4.289 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.571 -3.263 -4.975 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.061 -2.621 -5.664 1.00 0.00 H new ATOM 616 N CYS A 45 1.545 -5.515 -3.102 1.00 0.00 N ATOM 617 CA CYS A 45 0.740 -6.258 -2.140 1.00 0.00 C ATOM 618 C CYS A 45 0.374 -7.635 -2.684 1.00 0.00 C ATOM 619 O CYS A 45 0.735 -8.659 -2.102 1.00 0.00 O ATOM 620 CB CYS A 45 -0.532 -5.478 -1.798 1.00 0.00 C ATOM 621 SG CYS A 45 -0.227 -3.889 -0.961 1.00 0.00 S ATOM 0 H CYS A 45 1.065 -4.724 -3.532 1.00 0.00 H new ATOM 0 HA CYS A 45 1.332 -6.391 -1.235 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.089 -5.292 -2.716 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.165 -6.096 -1.161 1.00 0.00 H new ATOM 626 N GLN A 46 -0.343 -7.652 -3.803 1.00 0.00 N ATOM 627 CA GLN A 46 -0.757 -8.904 -4.425 1.00 0.00 C ATOM 628 C GLN A 46 0.297 -9.396 -5.412 1.00 0.00 C ATOM 629 O GLN A 46 0.176 -9.189 -6.618 1.00 0.00 O ATOM 630 CB GLN A 46 -2.098 -8.724 -5.140 1.00 0.00 C ATOM 631 CG GLN A 46 -3.302 -8.905 -4.231 1.00 0.00 C ATOM 632 CD GLN A 46 -3.657 -10.362 -4.015 1.00 0.00 C ATOM 633 OE1 GLN A 46 -3.233 -11.235 -4.775 1.00 0.00 O ATOM 634 NE2 GLN A 46 -4.440 -10.635 -2.979 1.00 0.00 N ATOM 0 H GLN A 46 -0.649 -6.814 -4.297 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.870 -9.651 -3.639 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.134 -7.728 -5.582 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.162 -9.439 -5.960 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.098 -8.438 -3.267 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.159 -8.386 -4.662 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.768 -9.881 -2.375 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.713 -11.599 -2.786 1.00 0.00 H new ATOM 643 N GLY A 47 1.330 -10.050 -4.889 1.00 0.00 N ATOM 644 CA GLY A 47 2.390 -10.562 -5.738 1.00 0.00 C ATOM 645 C GLY A 47 2.410 -12.076 -5.792 1.00 0.00 C ATOM 646 O GLY A 47 1.392 -12.707 -6.078 1.00 0.00 O ATOM 0 H GLY A 47 1.452 -10.234 -3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.266 -10.167 -6.746 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.351 -10.202 -5.371 1.00 0.00 H new ATOM 650 N GLU A 48 3.571 -12.662 -5.516 1.00 0.00 N ATOM 651 CA GLU A 48 3.719 -14.112 -5.538 1.00 0.00 C ATOM 652 C GLU A 48 3.603 -14.691 -4.131 1.00 0.00 C ATOM 653 O GLU A 48 3.843 -14.000 -3.140 1.00 0.00 O ATOM 654 CB GLU A 48 5.065 -14.501 -6.152 1.00 0.00 C ATOM 655 CG GLU A 48 5.234 -15.998 -6.350 1.00 0.00 C ATOM 656 CD GLU A 48 4.427 -16.526 -7.520 1.00 0.00 C ATOM 657 OE1 GLU A 48 4.402 -15.859 -8.574 1.00 0.00 O ATOM 658 OE2 GLU A 48 3.820 -17.609 -7.380 1.00 0.00 O ATOM 0 H GLU A 48 4.422 -12.155 -5.275 1.00 0.00 H new ATOM 0 HA GLU A 48 2.917 -14.524 -6.150 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.174 -14.001 -7.115 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.867 -14.135 -5.511 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.289 -16.223 -6.510 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.931 -16.517 -5.441 1.00 0.00 H new ATOM 665 N LYS A 49 3.233 -15.966 -4.050 1.00 0.00 N ATOM 666 CA LYS A 49 3.086 -16.640 -2.766 1.00 0.00 C ATOM 667 C LYS A 49 4.385 -17.327 -2.361 1.00 0.00 C ATOM 668 O LYS A 49 5.311 -17.450 -3.163 1.00 0.00 O ATOM 669 CB LYS A 49 1.953 -17.667 -2.834 1.00 0.00 C ATOM 670 CG LYS A 49 2.067 -18.621 -4.010 1.00 0.00 C ATOM 671 CD LYS A 49 1.301 -18.110 -5.219 1.00 0.00 C ATOM 672 CE LYS A 49 -0.131 -18.624 -5.230 1.00 0.00 C ATOM 673 NZ LYS A 49 -0.197 -20.073 -5.568 1.00 0.00 N ATOM 0 H LYS A 49 3.030 -16.552 -4.859 1.00 0.00 H new ATOM 0 HA LYS A 49 2.843 -15.889 -2.014 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.941 -18.244 -1.909 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.000 -17.141 -2.895 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.117 -18.753 -4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.685 -19.601 -3.723 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.297 -17.020 -5.215 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.808 -18.423 -6.131 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.584 -18.458 -4.253 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.716 -18.055 -5.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.164 -20.317 -5.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.464 -20.279 -6.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.062 -20.636 -4.733 1.00 0.00 H new ATOM 687 N SER A 50 4.447 -17.775 -1.111 1.00 0.00 N ATOM 688 CA SER A 50 5.634 -18.448 -0.597 1.00 0.00 C ATOM 689 C SER A 50 6.274 -19.319 -1.675 1.00 0.00 C ATOM 690 O SER A 50 5.586 -20.047 -2.390 1.00 0.00 O ATOM 691 CB SER A 50 5.276 -19.304 0.619 1.00 0.00 C ATOM 692 OG SER A 50 5.377 -18.556 1.818 1.00 0.00 O ATOM 0 H SER A 50 3.688 -17.684 -0.435 1.00 0.00 H new ATOM 0 HA SER A 50 6.352 -17.685 -0.296 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.262 -19.688 0.511 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.940 -20.167 0.668 1.00 0.00 H new ATOM 0 HG SER A 50 5.141 -19.126 2.580 1.00 0.00 H new ATOM 698 N SER A 51 7.596 -19.237 -1.786 1.00 0.00 N ATOM 699 CA SER A 51 8.330 -20.013 -2.778 1.00 0.00 C ATOM 700 C SER A 51 8.093 -21.507 -2.583 1.00 0.00 C ATOM 701 O SER A 51 7.575 -22.186 -3.468 1.00 0.00 O ATOM 702 CB SER A 51 9.826 -19.707 -2.692 1.00 0.00 C ATOM 703 OG SER A 51 10.071 -18.317 -2.827 1.00 0.00 O ATOM 0 H SER A 51 8.181 -18.640 -1.201 1.00 0.00 H new ATOM 0 HA SER A 51 7.965 -19.731 -3.766 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.218 -20.057 -1.737 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.357 -20.251 -3.473 1.00 0.00 H new ATOM 0 HG SER A 51 11.034 -18.147 -2.767 1.00 0.00 H new ATOM 709 N GLY A 52 8.477 -22.013 -1.415 1.00 0.00 N ATOM 710 CA GLY A 52 8.300 -23.423 -1.122 1.00 0.00 C ATOM 711 C GLY A 52 9.137 -23.882 0.055 1.00 0.00 C ATOM 712 O GLY A 52 8.627 -24.129 1.148 1.00 0.00 O ATOM 0 H GLY A 52 8.908 -21.471 -0.666 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.248 -23.618 -0.913 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.564 -24.009 -2.002 1.00 0.00 H new ATOM 716 N PRO A 53 10.456 -24.003 -0.162 1.00 0.00 N ATOM 717 CA PRO A 53 11.393 -24.436 0.879 1.00 0.00 C ATOM 718 C PRO A 53 11.569 -23.388 1.972 1.00 0.00 C ATOM 719 O PRO A 53 12.360 -23.571 2.897 1.00 0.00 O ATOM 720 CB PRO A 53 12.703 -24.637 0.113 1.00 0.00 C ATOM 721 CG PRO A 53 12.591 -23.743 -1.072 1.00 0.00 C ATOM 722 CD PRO A 53 11.132 -23.724 -1.440 1.00 0.00 C ATOM 0 HA PRO A 53 11.045 -25.330 1.397 1.00 0.00 H new ATOM 0 HB2 PRO A 53 13.565 -24.374 0.727 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.830 -25.677 -0.187 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.948 -22.740 -0.839 1.00 0.00 H new ATOM 0 HG3 PRO A 53 13.197 -24.113 -1.899 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.833 -22.760 -1.851 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.897 -24.477 -2.192 1.00 0.00 H new ATOM 730 N SER A 54 10.826 -22.291 1.861 1.00 0.00 N ATOM 731 CA SER A 54 10.904 -21.213 2.840 1.00 0.00 C ATOM 732 C SER A 54 9.583 -21.064 3.589 1.00 0.00 C ATOM 733 O SER A 54 8.529 -20.882 2.981 1.00 0.00 O ATOM 734 CB SER A 54 11.264 -19.895 2.150 1.00 0.00 C ATOM 735 OG SER A 54 11.372 -18.841 3.091 1.00 0.00 O ATOM 0 H SER A 54 10.164 -22.126 1.103 1.00 0.00 H new ATOM 0 HA SER A 54 11.684 -21.463 3.559 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.207 -20.007 1.614 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.503 -19.649 1.409 1.00 0.00 H new ATOM 0 HG SER A 54 11.604 -18.010 2.626 1.00 0.00 H new ATOM 741 N SER A 55 9.651 -21.144 4.915 1.00 0.00 N ATOM 742 CA SER A 55 8.461 -21.021 5.749 1.00 0.00 C ATOM 743 C SER A 55 8.776 -20.267 7.036 1.00 0.00 C ATOM 744 O SER A 55 9.809 -20.492 7.665 1.00 0.00 O ATOM 745 CB SER A 55 7.900 -22.406 6.080 1.00 0.00 C ATOM 746 OG SER A 55 8.720 -23.076 7.023 1.00 0.00 O ATOM 0 H SER A 55 10.517 -21.293 5.434 1.00 0.00 H new ATOM 0 HA SER A 55 7.713 -20.457 5.192 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.890 -22.307 6.477 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.828 -23.000 5.169 1.00 0.00 H new ATOM 0 HG SER A 55 8.340 -23.958 7.219 1.00 0.00 H new ATOM 752 N GLY A 56 7.875 -19.368 7.424 1.00 0.00 N ATOM 753 CA GLY A 56 8.074 -18.592 8.634 1.00 0.00 C ATOM 754 C GLY A 56 9.005 -17.415 8.422 1.00 0.00 C ATOM 755 O GLY A 56 8.561 -16.270 8.347 1.00 0.00 O ATOM 0 H GLY A 56 7.011 -19.164 6.921 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.110 -18.229 8.992 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.481 -19.237 9.413 1.00 0.00 H new TER 759 GLY A 56