USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 452 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 GLU N :NH3+ -158:sc= -0.0416 (180deg=-0.668) USER MOD Single : A 3 HIS : no HD1:sc= -0.167 X(o=-0.17,f=-0.032) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.978 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -1.55 K(o=-1.5,f=-6.4!) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.869 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -1.43 K(o=-1.4,f=-4.7!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0177 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 5:sc= 1.26 USER MOD Single : A 39 SER OG : rot -173:sc= 1.24 USER MOD Single : A 44 ASN :FLIP amide:sc= -4.33! C(o=-5.6!,f=-4.3!) USER MOD Single : A 46 ASN : amide:sc= -2.48 X(o=-2.5,f=-2.2) USER MOD Single : A 47 ASN : amide:sc= -2.35 X(o=-2.3,f=-2.5!) USER MOD Single : A 49 THR OG1 : rot -45:sc= 0.911 USER MOD Single : A 50 SER OG : rot 67:sc= 1.26 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 52.573 20.841 3.888 1.00 0.00 N ATOM 2 CA GLU A 1 52.596 19.978 2.671 1.00 0.00 C ATOM 3 C GLU A 1 51.615 18.810 2.824 1.00 0.00 C ATOM 4 O GLU A 1 51.013 18.367 1.864 1.00 0.00 O ATOM 5 CB GLU A 1 54.033 19.463 2.572 1.00 0.00 C ATOM 6 CG GLU A 1 54.963 20.616 2.190 1.00 0.00 C ATOM 7 CD GLU A 1 56.383 20.082 1.989 1.00 0.00 C ATOM 8 OE1 GLU A 1 56.603 19.391 1.008 1.00 0.00 O ATOM 9 OE2 GLU A 1 57.226 20.373 2.823 1.00 0.00 O ATOM 0 H1 GLU A 1 52.927 21.789 3.648 1.00 0.00 H new ATOM 0 H2 GLU A 1 51.598 20.915 4.243 1.00 0.00 H new ATOM 0 H3 GLU A 1 53.177 20.421 4.623 1.00 0.00 H new ATOM 0 HA GLU A 1 52.297 20.525 1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 1 54.343 19.032 3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 1 54.096 18.669 1.828 1.00 0.00 H new ATOM 0 HG2 GLU A 1 54.610 21.094 1.276 1.00 0.00 H new ATOM 0 HG3 GLU A 1 54.956 21.377 2.971 1.00 0.00 H new ATOM 18 N PHE A 2 51.452 18.311 4.025 1.00 0.00 N ATOM 19 CA PHE A 2 50.511 17.169 4.243 1.00 0.00 C ATOM 20 C PHE A 2 49.059 17.652 4.153 1.00 0.00 C ATOM 21 O PHE A 2 48.366 17.382 3.192 1.00 0.00 O ATOM 22 CB PHE A 2 50.820 16.658 5.653 1.00 0.00 C ATOM 23 CG PHE A 2 51.938 15.647 5.586 1.00 0.00 C ATOM 24 CD1 PHE A 2 53.270 16.078 5.552 1.00 0.00 C ATOM 25 CD2 PHE A 2 51.645 14.278 5.557 1.00 0.00 C ATOM 26 CE1 PHE A 2 54.308 15.140 5.489 1.00 0.00 C ATOM 27 CE2 PHE A 2 52.683 13.340 5.495 1.00 0.00 C ATOM 28 CZ PHE A 2 54.015 13.772 5.461 1.00 0.00 C ATOM 0 H PHE A 2 51.929 18.645 4.862 1.00 0.00 H new ATOM 0 HA PHE A 2 50.633 16.388 3.492 1.00 0.00 H new ATOM 0 HB2 PHE A 2 51.105 17.489 6.299 1.00 0.00 H new ATOM 0 HB3 PHE A 2 49.931 16.205 6.090 1.00 0.00 H new ATOM 0 HD1 PHE A 2 53.497 17.134 5.574 1.00 0.00 H new ATOM 0 HD2 PHE A 2 50.618 13.945 5.582 1.00 0.00 H new ATOM 0 HE1 PHE A 2 55.335 15.473 5.462 1.00 0.00 H new ATOM 0 HE2 PHE A 2 52.457 12.284 5.473 1.00 0.00 H new ATOM 0 HZ PHE A 2 54.816 13.049 5.413 1.00 0.00 H new ATOM 38 N HIS A 3 48.595 18.365 5.154 1.00 0.00 N ATOM 39 CA HIS A 3 47.184 18.876 5.146 1.00 0.00 C ATOM 40 C HIS A 3 46.193 17.731 4.903 1.00 0.00 C ATOM 41 O HIS A 3 45.765 17.496 3.789 1.00 0.00 O ATOM 42 CB HIS A 3 47.122 19.893 4.001 1.00 0.00 C ATOM 43 CG HIS A 3 45.999 20.868 4.243 1.00 0.00 C ATOM 44 ND1 HIS A 3 45.718 21.901 3.361 1.00 0.00 N ATOM 45 CD2 HIS A 3 45.079 20.983 5.258 1.00 0.00 C ATOM 46 CE1 HIS A 3 44.672 22.586 3.857 1.00 0.00 C ATOM 47 NE2 HIS A 3 44.243 22.068 5.012 1.00 0.00 N ATOM 0 H HIS A 3 49.136 18.616 5.981 1.00 0.00 H new ATOM 0 HA HIS A 3 46.915 19.326 6.102 1.00 0.00 H new ATOM 0 HB2 HIS A 3 48.069 20.427 3.925 1.00 0.00 H new ATOM 0 HB3 HIS A 3 46.970 19.378 3.053 1.00 0.00 H new ATOM 0 HD2 HIS A 3 45.015 20.330 6.116 1.00 0.00 H new ATOM 0 HE1 HIS A 3 44.232 23.449 3.380 1.00 0.00 H new ATOM 0 HE2 HIS A 3 43.469 22.397 5.589 1.00 0.00 H new ATOM 55 N GLY A 4 45.828 17.021 5.941 1.00 0.00 N ATOM 56 CA GLY A 4 44.866 15.889 5.781 1.00 0.00 C ATOM 57 C GLY A 4 45.355 14.681 6.599 1.00 0.00 C ATOM 58 O GLY A 4 46.286 14.812 7.368 1.00 0.00 O ATOM 0 H GLY A 4 46.156 17.177 6.894 1.00 0.00 H new ATOM 0 HA2 GLY A 4 43.874 16.191 6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 4 44.779 15.618 4.729 1.00 0.00 H new ATOM 62 N PRO A 5 44.723 13.530 6.421 1.00 0.00 N ATOM 63 CA PRO A 5 45.142 12.325 7.176 1.00 0.00 C ATOM 64 C PRO A 5 46.586 11.954 6.827 1.00 0.00 C ATOM 65 O PRO A 5 47.188 12.538 5.945 1.00 0.00 O ATOM 66 CB PRO A 5 44.159 11.255 6.686 1.00 0.00 C ATOM 67 CG PRO A 5 43.204 11.888 5.658 1.00 0.00 C ATOM 68 CD PRO A 5 43.580 13.365 5.480 1.00 0.00 C ATOM 0 HA PRO A 5 45.122 12.455 8.258 1.00 0.00 H new ATOM 0 HB2 PRO A 5 44.701 10.424 6.235 1.00 0.00 H new ATOM 0 HB3 PRO A 5 43.594 10.849 7.525 1.00 0.00 H new ATOM 0 HG2 PRO A 5 43.273 11.363 4.705 1.00 0.00 H new ATOM 0 HG3 PRO A 5 42.172 11.799 5.997 1.00 0.00 H new ATOM 0 HD2 PRO A 5 43.867 13.588 4.452 1.00 0.00 H new ATOM 0 HD3 PRO A 5 42.751 14.027 5.731 1.00 0.00 H new ATOM 76 N SER A 6 47.143 10.987 7.512 1.00 0.00 N ATOM 77 CA SER A 6 48.549 10.573 7.225 1.00 0.00 C ATOM 78 C SER A 6 48.679 9.050 7.292 1.00 0.00 C ATOM 79 O SER A 6 49.714 8.524 7.659 1.00 0.00 O ATOM 80 CB SER A 6 49.386 11.233 8.319 1.00 0.00 C ATOM 81 OG SER A 6 49.314 12.646 8.179 1.00 0.00 O ATOM 0 H SER A 6 46.683 10.466 8.259 1.00 0.00 H new ATOM 0 HA SER A 6 48.872 10.873 6.228 1.00 0.00 H new ATOM 0 HB2 SER A 6 49.021 10.935 9.302 1.00 0.00 H new ATOM 0 HB3 SER A 6 50.422 10.902 8.250 1.00 0.00 H new ATOM 0 HG SER A 6 49.849 13.072 8.881 1.00 0.00 H new ATOM 87 N TRP A 7 47.639 8.341 6.934 1.00 0.00 N ATOM 88 CA TRP A 7 47.696 6.846 6.969 1.00 0.00 C ATOM 89 C TRP A 7 47.465 6.254 5.567 1.00 0.00 C ATOM 90 O TRP A 7 47.652 5.072 5.354 1.00 0.00 O ATOM 91 CB TRP A 7 46.586 6.414 7.936 1.00 0.00 C ATOM 92 CG TRP A 7 45.257 6.923 7.471 1.00 0.00 C ATOM 93 CD1 TRP A 7 44.725 8.122 7.805 1.00 0.00 C ATOM 94 CD2 TRP A 7 44.284 6.271 6.606 1.00 0.00 C ATOM 95 NE1 TRP A 7 43.489 8.248 7.197 1.00 0.00 N ATOM 96 CE2 TRP A 7 43.173 7.132 6.446 1.00 0.00 C ATOM 97 CE3 TRP A 7 44.258 5.027 5.948 1.00 0.00 C ATOM 98 CZ2 TRP A 7 42.074 6.773 5.665 1.00 0.00 C ATOM 99 CZ3 TRP A 7 43.154 4.662 5.161 1.00 0.00 C ATOM 100 CH2 TRP A 7 42.065 5.534 5.018 1.00 0.00 C ATOM 0 H TRP A 7 46.751 8.732 6.618 1.00 0.00 H new ATOM 0 HA TRP A 7 48.673 6.489 7.295 1.00 0.00 H new ATOM 0 HB2 TRP A 7 46.561 5.327 8.007 1.00 0.00 H new ATOM 0 HB3 TRP A 7 46.798 6.794 8.935 1.00 0.00 H new ATOM 0 HD1 TRP A 7 45.190 8.860 8.442 1.00 0.00 H new ATOM 0 HE1 TRP A 7 42.885 9.064 7.291 1.00 0.00 H new ATOM 0 HE3 TRP A 7 45.093 4.349 6.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 41.237 7.447 5.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 43.143 3.704 4.663 1.00 0.00 H new ATOM 0 HH2 TRP A 7 41.220 5.249 4.409 1.00 0.00 H new ATOM 111 N CYS A 8 47.070 7.065 4.611 1.00 0.00 N ATOM 112 CA CYS A 8 46.843 6.545 3.229 1.00 0.00 C ATOM 113 C CYS A 8 48.030 6.918 2.334 1.00 0.00 C ATOM 114 O CYS A 8 48.382 6.195 1.421 1.00 0.00 O ATOM 115 CB CYS A 8 45.561 7.231 2.747 1.00 0.00 C ATOM 116 SG CYS A 8 45.138 6.642 1.084 1.00 0.00 S ATOM 0 H CYS A 8 46.896 8.063 4.731 1.00 0.00 H new ATOM 0 HA CYS A 8 46.750 5.459 3.201 1.00 0.00 H new ATOM 0 HB2 CYS A 8 44.743 7.020 3.436 1.00 0.00 H new ATOM 0 HB3 CYS A 8 45.698 8.312 2.736 1.00 0.00 H new ATOM 121 N LEU A 9 48.646 8.041 2.597 1.00 0.00 N ATOM 122 CA LEU A 9 49.814 8.474 1.770 1.00 0.00 C ATOM 123 C LEU A 9 51.087 7.719 2.181 1.00 0.00 C ATOM 124 O LEU A 9 52.092 7.781 1.496 1.00 0.00 O ATOM 125 CB LEU A 9 49.971 9.968 2.053 1.00 0.00 C ATOM 126 CG LEU A 9 49.009 10.762 1.169 1.00 0.00 C ATOM 127 CD1 LEU A 9 48.619 12.060 1.876 1.00 0.00 C ATOM 128 CD2 LEU A 9 49.696 11.093 -0.159 1.00 0.00 C ATOM 0 H LEU A 9 48.391 8.679 3.351 1.00 0.00 H new ATOM 0 HA LEU A 9 49.656 8.267 0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 9 49.768 10.173 3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 9 50.998 10.279 1.861 1.00 0.00 H new ATOM 0 HG LEU A 9 48.114 10.168 0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 9 47.933 12.626 1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 9 48.132 11.826 2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 9 49.513 12.655 2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 9 49.012 11.659 -0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 9 50.590 11.687 0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 9 49.976 10.169 -0.664 1.00 0.00 H new ATOM 140 N THR A 10 51.059 7.010 3.287 1.00 0.00 N ATOM 141 CA THR A 10 52.279 6.262 3.725 1.00 0.00 C ATOM 142 C THR A 10 52.595 5.135 2.720 1.00 0.00 C ATOM 143 O THR A 10 51.689 4.611 2.106 1.00 0.00 O ATOM 144 CB THR A 10 51.930 5.681 5.102 1.00 0.00 C ATOM 145 OG1 THR A 10 53.031 4.926 5.587 1.00 0.00 O ATOM 146 CG2 THR A 10 50.696 4.776 4.999 1.00 0.00 C ATOM 0 H THR A 10 50.249 6.918 3.900 1.00 0.00 H new ATOM 0 HA THR A 10 53.160 6.902 3.774 1.00 0.00 H new ATOM 0 HB THR A 10 51.712 6.499 5.788 1.00 0.00 H new ATOM 0 HG1 THR A 10 52.811 4.555 6.467 1.00 0.00 H new ATOM 0 HG21 THR A 10 50.459 4.370 5.983 1.00 0.00 H new ATOM 0 HG22 THR A 10 49.849 5.356 4.632 1.00 0.00 H new ATOM 0 HG23 THR A 10 50.902 3.958 4.309 1.00 0.00 H new ATOM 154 N PRO A 11 53.865 4.781 2.572 1.00 0.00 N ATOM 155 CA PRO A 11 54.231 3.703 1.618 1.00 0.00 C ATOM 156 C PRO A 11 53.592 2.376 2.040 1.00 0.00 C ATOM 157 O PRO A 11 52.945 2.288 3.066 1.00 0.00 O ATOM 158 CB PRO A 11 55.759 3.647 1.732 1.00 0.00 C ATOM 159 CG PRO A 11 56.222 4.705 2.750 1.00 0.00 C ATOM 160 CD PRO A 11 54.987 5.414 3.321 1.00 0.00 C ATOM 0 HA PRO A 11 53.889 3.885 0.599 1.00 0.00 H new ATOM 0 HB2 PRO A 11 56.077 2.654 2.049 1.00 0.00 H new ATOM 0 HB3 PRO A 11 56.217 3.833 0.760 1.00 0.00 H new ATOM 0 HG2 PRO A 11 56.791 4.234 3.551 1.00 0.00 H new ATOM 0 HG3 PRO A 11 56.884 5.426 2.270 1.00 0.00 H new ATOM 0 HD2 PRO A 11 54.893 5.260 4.396 1.00 0.00 H new ATOM 0 HD3 PRO A 11 55.027 6.491 3.156 1.00 0.00 H new ATOM 168 N ALA A 12 53.769 1.346 1.251 1.00 0.00 N ATOM 169 CA ALA A 12 53.172 0.019 1.598 1.00 0.00 C ATOM 170 C ALA A 12 54.161 -0.809 2.429 1.00 0.00 C ATOM 171 O ALA A 12 55.262 -1.091 1.995 1.00 0.00 O ATOM 172 CB ALA A 12 52.894 -0.662 0.253 1.00 0.00 C ATOM 0 H ALA A 12 54.301 1.366 0.381 1.00 0.00 H new ATOM 0 HA ALA A 12 52.266 0.121 2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.454 -1.644 0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 12 52.202 -0.052 -0.328 1.00 0.00 H new ATOM 0 HB3 ALA A 12 53.828 -0.775 -0.297 1.00 0.00 H new ATOM 178 N ASP A 13 53.772 -1.200 3.618 1.00 0.00 N ATOM 179 CA ASP A 13 54.684 -2.012 4.482 1.00 0.00 C ATOM 180 C ASP A 13 54.663 -3.479 4.038 1.00 0.00 C ATOM 181 O ASP A 13 53.782 -4.235 4.402 1.00 0.00 O ATOM 182 CB ASP A 13 54.127 -1.867 5.901 1.00 0.00 C ATOM 183 CG ASP A 13 55.272 -1.968 6.910 1.00 0.00 C ATOM 184 OD1 ASP A 13 56.007 -2.940 6.846 1.00 0.00 O ATOM 185 OD2 ASP A 13 55.396 -1.073 7.729 1.00 0.00 O ATOM 0 H ASP A 13 52.861 -0.992 4.028 1.00 0.00 H new ATOM 0 HA ASP A 13 55.719 -1.677 4.420 1.00 0.00 H new ATOM 0 HB2 ASP A 13 53.618 -0.909 6.007 1.00 0.00 H new ATOM 0 HB3 ASP A 13 53.388 -2.644 6.094 1.00 0.00 H new ATOM 190 N ARG A 14 55.626 -3.879 3.247 1.00 0.00 N ATOM 191 CA ARG A 14 55.672 -5.291 2.763 1.00 0.00 C ATOM 192 C ARG A 14 56.885 -6.020 3.353 1.00 0.00 C ATOM 193 O ARG A 14 57.479 -6.870 2.716 1.00 0.00 O ATOM 194 CB ARG A 14 55.796 -5.178 1.240 1.00 0.00 C ATOM 195 CG ARG A 14 55.515 -6.539 0.591 1.00 0.00 C ATOM 196 CD ARG A 14 56.513 -6.789 -0.546 1.00 0.00 C ATOM 197 NE ARG A 14 57.500 -7.757 0.013 1.00 0.00 N ATOM 198 CZ ARG A 14 58.246 -8.467 -0.790 1.00 0.00 C ATOM 199 NH1 ARG A 14 57.696 -9.322 -1.609 1.00 0.00 N ATOM 200 NH2 ARG A 14 59.543 -8.324 -0.771 1.00 0.00 N ATOM 0 H ARG A 14 56.386 -3.285 2.914 1.00 0.00 H new ATOM 0 HA ARG A 14 54.792 -5.860 3.061 1.00 0.00 H new ATOM 0 HB2 ARG A 14 55.094 -4.434 0.863 1.00 0.00 H new ATOM 0 HB3 ARG A 14 56.796 -4.837 0.972 1.00 0.00 H new ATOM 0 HG2 ARG A 14 55.593 -7.331 1.336 1.00 0.00 H new ATOM 0 HG3 ARG A 14 54.496 -6.564 0.205 1.00 0.00 H new ATOM 0 HD2 ARG A 14 56.015 -7.197 -1.426 1.00 0.00 H new ATOM 0 HD3 ARG A 14 56.999 -5.864 -0.855 1.00 0.00 H new ATOM 0 HE ARG A 14 57.592 -7.865 1.023 1.00 0.00 H new ATOM 0 HH11 ARG A 14 56.682 -9.436 -1.622 1.00 0.00 H new ATOM 0 HH12 ARG A 14 58.280 -9.876 -2.236 1.00 0.00 H new ATOM 0 HH21 ARG A 14 59.973 -7.658 -0.129 1.00 0.00 H new ATOM 0 HH22 ARG A 14 60.126 -8.878 -1.398 1.00 0.00 H new ATOM 214 N GLY A 15 57.256 -5.691 4.566 1.00 0.00 N ATOM 215 CA GLY A 15 58.434 -6.357 5.203 1.00 0.00 C ATOM 216 C GLY A 15 58.000 -7.104 6.466 1.00 0.00 C ATOM 217 O GLY A 15 56.930 -7.681 6.520 1.00 0.00 O ATOM 0 H GLY A 15 56.793 -4.989 5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 15 58.892 -7.053 4.500 1.00 0.00 H new ATOM 0 HA3 GLY A 15 59.190 -5.613 5.454 1.00 0.00 H new ATOM 221 N LEU A 16 58.836 -7.114 7.482 1.00 0.00 N ATOM 222 CA LEU A 16 58.496 -7.842 8.750 1.00 0.00 C ATOM 223 C LEU A 16 58.116 -9.305 8.422 1.00 0.00 C ATOM 224 O LEU A 16 58.986 -10.111 8.153 1.00 0.00 O ATOM 225 CB LEU A 16 57.341 -7.047 9.375 1.00 0.00 C ATOM 226 CG LEU A 16 57.877 -5.706 9.893 1.00 0.00 C ATOM 227 CD1 LEU A 16 56.713 -4.830 10.358 1.00 0.00 C ATOM 228 CD2 LEU A 16 58.829 -5.950 11.069 1.00 0.00 C ATOM 0 H LEU A 16 59.743 -6.647 7.487 1.00 0.00 H new ATOM 0 HA LEU A 16 59.328 -7.903 9.451 1.00 0.00 H new ATOM 0 HB2 LEU A 16 56.557 -6.879 8.636 1.00 0.00 H new ATOM 0 HB3 LEU A 16 56.893 -7.614 10.191 1.00 0.00 H new ATOM 0 HG LEU A 16 58.413 -5.202 9.089 1.00 0.00 H new ATOM 0 HD11 LEU A 16 57.098 -3.879 10.725 1.00 0.00 H new ATOM 0 HD12 LEU A 16 56.037 -4.650 9.522 1.00 0.00 H new ATOM 0 HD13 LEU A 16 56.174 -5.336 11.158 1.00 0.00 H new ATOM 0 HD21 LEU A 16 59.208 -4.996 11.434 1.00 0.00 H new ATOM 0 HD22 LEU A 16 58.294 -6.459 11.871 1.00 0.00 H new ATOM 0 HD23 LEU A 16 59.663 -6.569 10.739 1.00 0.00 H new ATOM 240 N CYS A 17 56.846 -9.656 8.406 1.00 0.00 N ATOM 241 CA CYS A 17 56.470 -11.065 8.057 1.00 0.00 C ATOM 242 C CYS A 17 56.740 -11.269 6.559 1.00 0.00 C ATOM 243 O CYS A 17 56.992 -10.313 5.847 1.00 0.00 O ATOM 244 CB CYS A 17 54.969 -11.198 8.385 1.00 0.00 C ATOM 245 SG CYS A 17 54.650 -10.732 10.109 1.00 0.00 S ATOM 0 H CYS A 17 56.065 -9.035 8.617 1.00 0.00 H new ATOM 0 HA CYS A 17 57.038 -11.814 8.608 1.00 0.00 H new ATOM 0 HB2 CYS A 17 54.387 -10.563 7.717 1.00 0.00 H new ATOM 0 HB3 CYS A 17 54.643 -12.224 8.213 1.00 0.00 H new ATOM 250 N ARG A 18 56.718 -12.489 6.071 1.00 0.00 N ATOM 251 CA ARG A 18 57.007 -12.707 4.614 1.00 0.00 C ATOM 252 C ARG A 18 56.006 -13.670 3.957 1.00 0.00 C ATOM 253 O ARG A 18 56.301 -14.830 3.729 1.00 0.00 O ATOM 254 CB ARG A 18 58.430 -13.286 4.564 1.00 0.00 C ATOM 255 CG ARG A 18 58.485 -14.640 5.288 1.00 0.00 C ATOM 256 CD ARG A 18 59.643 -14.668 6.287 1.00 0.00 C ATOM 257 NE ARG A 18 59.418 -15.914 7.070 1.00 0.00 N ATOM 258 CZ ARG A 18 58.533 -15.933 8.030 1.00 0.00 C ATOM 259 NH1 ARG A 18 58.845 -15.486 9.215 1.00 0.00 N ATOM 260 NH2 ARG A 18 57.334 -16.398 7.805 1.00 0.00 N ATOM 0 H ARG A 18 56.516 -13.332 6.609 1.00 0.00 H new ATOM 0 HA ARG A 18 56.918 -11.773 4.059 1.00 0.00 H new ATOM 0 HB2 ARG A 18 58.743 -13.408 3.527 1.00 0.00 H new ATOM 0 HB3 ARG A 18 59.129 -12.590 5.028 1.00 0.00 H new ATOM 0 HG2 ARG A 18 57.544 -14.819 5.808 1.00 0.00 H new ATOM 0 HG3 ARG A 18 58.605 -15.443 4.561 1.00 0.00 H new ATOM 0 HD2 ARG A 18 60.607 -14.685 5.779 1.00 0.00 H new ATOM 0 HD3 ARG A 18 59.637 -13.787 6.929 1.00 0.00 H new ATOM 0 HE ARG A 18 59.956 -16.754 6.856 1.00 0.00 H new ATOM 0 HH11 ARG A 18 59.781 -15.121 9.392 1.00 0.00 H new ATOM 0 HH12 ARG A 18 58.153 -15.501 9.964 1.00 0.00 H new ATOM 0 HH21 ARG A 18 57.088 -16.747 6.879 1.00 0.00 H new ATOM 0 HH22 ARG A 18 56.643 -16.412 8.556 1.00 0.00 H new ATOM 274 N ALA A 19 54.834 -13.193 3.623 1.00 0.00 N ATOM 275 CA ALA A 19 53.828 -14.072 2.951 1.00 0.00 C ATOM 276 C ALA A 19 53.460 -13.499 1.578 1.00 0.00 C ATOM 277 O ALA A 19 53.536 -12.307 1.355 1.00 0.00 O ATOM 278 CB ALA A 19 52.607 -14.077 3.868 1.00 0.00 C ATOM 0 H ALA A 19 54.530 -12.233 3.786 1.00 0.00 H new ATOM 0 HA ALA A 19 54.213 -15.079 2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 19 51.829 -14.704 3.434 1.00 0.00 H new ATOM 0 HB2 ALA A 19 52.887 -14.470 4.845 1.00 0.00 H new ATOM 0 HB3 ALA A 19 52.232 -13.060 3.980 1.00 0.00 H new ATOM 284 N ASN A 20 53.058 -14.345 0.660 1.00 0.00 N ATOM 285 CA ASN A 20 52.676 -13.863 -0.702 1.00 0.00 C ATOM 286 C ASN A 20 51.185 -13.503 -0.733 1.00 0.00 C ATOM 287 O ASN A 20 50.383 -14.208 -1.320 1.00 0.00 O ATOM 288 CB ASN A 20 52.962 -15.046 -1.632 1.00 0.00 C ATOM 289 CG ASN A 20 54.384 -14.928 -2.185 1.00 0.00 C ATOM 290 OD1 ASN A 20 55.313 -15.474 -1.625 1.00 0.00 O ATOM 291 ND2 ASN A 20 54.591 -14.237 -3.272 1.00 0.00 N ATOM 0 H ASN A 20 52.978 -15.353 0.798 1.00 0.00 H new ATOM 0 HA ASN A 20 53.226 -12.969 -0.997 1.00 0.00 H new ATOM 0 HB2 ASN A 20 52.848 -15.985 -1.090 1.00 0.00 H new ATOM 0 HB3 ASN A 20 52.242 -15.061 -2.450 1.00 0.00 H new ATOM 0 HD21 ASN A 20 55.534 -14.155 -3.652 1.00 0.00 H new ATOM 0 HD22 ASN A 20 53.810 -13.779 -3.742 1.00 0.00 H new ATOM 298 N GLU A 21 50.806 -12.416 -0.102 1.00 0.00 N ATOM 299 CA GLU A 21 49.363 -12.017 -0.092 1.00 0.00 C ATOM 300 C GLU A 21 49.055 -11.146 -1.319 1.00 0.00 C ATOM 301 O GLU A 21 49.720 -11.238 -2.332 1.00 0.00 O ATOM 302 CB GLU A 21 49.173 -11.220 1.208 1.00 0.00 C ATOM 303 CG GLU A 21 49.582 -12.074 2.418 1.00 0.00 C ATOM 304 CD GLU A 21 48.341 -12.713 3.042 1.00 0.00 C ATOM 305 OE1 GLU A 21 47.646 -13.425 2.337 1.00 0.00 O ATOM 306 OE2 GLU A 21 48.107 -12.482 4.218 1.00 0.00 O ATOM 0 H GLU A 21 51.432 -11.790 0.405 1.00 0.00 H new ATOM 0 HA GLU A 21 48.693 -12.876 -0.134 1.00 0.00 H new ATOM 0 HB2 GLU A 21 49.772 -10.310 1.176 1.00 0.00 H new ATOM 0 HB3 GLU A 21 48.132 -10.912 1.306 1.00 0.00 H new ATOM 0 HG2 GLU A 21 50.284 -12.848 2.108 1.00 0.00 H new ATOM 0 HG3 GLU A 21 50.094 -11.456 3.155 1.00 0.00 H new ATOM 313 N ASN A 22 48.052 -10.310 -1.234 1.00 0.00 N ATOM 314 CA ASN A 22 47.692 -9.434 -2.391 1.00 0.00 C ATOM 315 C ASN A 22 46.804 -8.281 -1.913 1.00 0.00 C ATOM 316 O ASN A 22 45.648 -8.182 -2.284 1.00 0.00 O ATOM 317 CB ASN A 22 46.929 -10.346 -3.364 1.00 0.00 C ATOM 318 CG ASN A 22 45.719 -10.978 -2.662 1.00 0.00 C ATOM 319 OD1 ASN A 22 45.331 -10.559 -1.589 1.00 0.00 O ATOM 320 ND2 ASN A 22 45.105 -11.982 -3.225 1.00 0.00 N ATOM 0 H ASN A 22 47.464 -10.196 -0.409 1.00 0.00 H new ATOM 0 HA ASN A 22 48.566 -8.987 -2.865 1.00 0.00 H new ATOM 0 HB2 ASN A 22 46.597 -9.771 -4.228 1.00 0.00 H new ATOM 0 HB3 ASN A 22 47.591 -11.127 -3.736 1.00 0.00 H new ATOM 0 HD21 ASN A 22 44.303 -12.412 -2.765 1.00 0.00 H new ATOM 0 HD22 ASN A 22 45.427 -12.337 -4.125 1.00 0.00 H new ATOM 327 N ARG A 23 47.334 -7.414 -1.087 1.00 0.00 N ATOM 328 CA ARG A 23 46.518 -6.268 -0.575 1.00 0.00 C ATOM 329 C ARG A 23 46.561 -5.097 -1.558 1.00 0.00 C ATOM 330 O ARG A 23 47.491 -4.958 -2.329 1.00 0.00 O ATOM 331 CB ARG A 23 47.160 -5.864 0.754 1.00 0.00 C ATOM 332 CG ARG A 23 46.874 -6.934 1.810 1.00 0.00 C ATOM 333 CD ARG A 23 45.417 -6.828 2.264 1.00 0.00 C ATOM 334 NE ARG A 23 45.401 -7.390 3.643 1.00 0.00 N ATOM 335 CZ ARG A 23 44.771 -8.506 3.886 1.00 0.00 C ATOM 336 NH1 ARG A 23 45.025 -9.568 3.171 1.00 0.00 N ATOM 337 NH2 ARG A 23 43.886 -8.561 4.843 1.00 0.00 N ATOM 0 H ARG A 23 48.294 -7.449 -0.745 1.00 0.00 H new ATOM 0 HA ARG A 23 45.471 -6.547 -0.452 1.00 0.00 H new ATOM 0 HB2 ARG A 23 48.236 -5.742 0.627 1.00 0.00 H new ATOM 0 HB3 ARG A 23 46.767 -4.902 1.081 1.00 0.00 H new ATOM 0 HG2 ARG A 23 47.067 -7.925 1.400 1.00 0.00 H new ATOM 0 HG3 ARG A 23 47.542 -6.806 2.662 1.00 0.00 H new ATOM 0 HD2 ARG A 23 45.075 -5.793 2.256 1.00 0.00 H new ATOM 0 HD3 ARG A 23 44.756 -7.387 1.602 1.00 0.00 H new ATOM 0 HE ARG A 23 45.883 -6.902 4.398 1.00 0.00 H new ATOM 0 HH11 ARG A 23 45.716 -9.525 2.422 1.00 0.00 H new ATOM 0 HH12 ARG A 23 44.532 -10.441 3.361 1.00 0.00 H new ATOM 0 HH21 ARG A 23 43.687 -7.731 5.401 1.00 0.00 H new ATOM 0 HH22 ARG A 23 43.394 -9.434 5.033 1.00 0.00 H new ATOM 351 N PHE A 24 45.558 -4.257 -1.533 1.00 0.00 N ATOM 352 CA PHE A 24 45.532 -3.086 -2.460 1.00 0.00 C ATOM 353 C PHE A 24 46.169 -1.864 -1.793 1.00 0.00 C ATOM 354 O PHE A 24 45.563 -1.214 -0.963 1.00 0.00 O ATOM 355 CB PHE A 24 44.051 -2.838 -2.748 1.00 0.00 C ATOM 356 CG PHE A 24 43.658 -3.576 -4.004 1.00 0.00 C ATOM 357 CD1 PHE A 24 43.907 -3.004 -5.258 1.00 0.00 C ATOM 358 CD2 PHE A 24 43.053 -4.835 -3.917 1.00 0.00 C ATOM 359 CE1 PHE A 24 43.550 -3.691 -6.424 1.00 0.00 C ATOM 360 CE2 PHE A 24 42.697 -5.523 -5.083 1.00 0.00 C ATOM 361 CZ PHE A 24 42.944 -4.951 -6.336 1.00 0.00 C ATOM 0 H PHE A 24 44.754 -4.332 -0.909 1.00 0.00 H new ATOM 0 HA PHE A 24 46.096 -3.272 -3.374 1.00 0.00 H new ATOM 0 HB2 PHE A 24 43.444 -3.176 -1.908 1.00 0.00 H new ATOM 0 HB3 PHE A 24 43.865 -1.770 -2.866 1.00 0.00 H new ATOM 0 HD1 PHE A 24 44.375 -2.033 -5.325 1.00 0.00 H new ATOM 0 HD2 PHE A 24 42.861 -5.276 -2.950 1.00 0.00 H new ATOM 0 HE1 PHE A 24 43.742 -3.250 -7.391 1.00 0.00 H new ATOM 0 HE2 PHE A 24 42.232 -6.495 -5.016 1.00 0.00 H new ATOM 0 HZ PHE A 24 42.667 -5.481 -7.235 1.00 0.00 H new ATOM 371 N TYR A 25 47.383 -1.543 -2.161 1.00 0.00 N ATOM 372 CA TYR A 25 48.067 -0.358 -1.559 1.00 0.00 C ATOM 373 C TYR A 25 47.686 0.902 -2.351 1.00 0.00 C ATOM 374 O TYR A 25 47.605 0.882 -3.562 1.00 0.00 O ATOM 375 CB TYR A 25 49.572 -0.689 -1.667 1.00 0.00 C ATOM 376 CG TYR A 25 50.428 0.560 -1.582 1.00 0.00 C ATOM 377 CD1 TYR A 25 50.521 1.269 -0.381 1.00 0.00 C ATOM 378 CD2 TYR A 25 51.129 0.997 -2.712 1.00 0.00 C ATOM 379 CE1 TYR A 25 51.315 2.420 -0.310 1.00 0.00 C ATOM 380 CE2 TYR A 25 51.922 2.146 -2.641 1.00 0.00 C ATOM 381 CZ TYR A 25 52.017 2.858 -1.440 1.00 0.00 C ATOM 382 OH TYR A 25 52.800 3.993 -1.369 1.00 0.00 O ATOM 0 H TYR A 25 47.932 -2.052 -2.854 1.00 0.00 H new ATOM 0 HA TYR A 25 47.786 -0.162 -0.524 1.00 0.00 H new ATOM 0 HB2 TYR A 25 49.852 -1.377 -0.869 1.00 0.00 H new ATOM 0 HB3 TYR A 25 49.766 -1.200 -2.610 1.00 0.00 H new ATOM 0 HD1 TYR A 25 49.981 0.930 0.491 1.00 0.00 H new ATOM 0 HD2 TYR A 25 51.057 0.447 -3.638 1.00 0.00 H new ATOM 0 HE1 TYR A 25 51.386 2.970 0.617 1.00 0.00 H new ATOM 0 HE2 TYR A 25 52.462 2.484 -3.513 1.00 0.00 H new ATOM 0 HH TYR A 25 53.219 4.157 -2.240 1.00 0.00 H new ATOM 392 N TYR A 26 47.461 1.993 -1.668 1.00 0.00 N ATOM 393 CA TYR A 26 47.092 3.260 -2.367 1.00 0.00 C ATOM 394 C TYR A 26 48.351 3.927 -2.933 1.00 0.00 C ATOM 395 O TYR A 26 49.255 4.283 -2.201 1.00 0.00 O ATOM 396 CB TYR A 26 46.447 4.131 -1.282 1.00 0.00 C ATOM 397 CG TYR A 26 46.072 5.479 -1.856 1.00 0.00 C ATOM 398 CD1 TYR A 26 47.035 6.491 -1.943 1.00 0.00 C ATOM 399 CD2 TYR A 26 44.765 5.717 -2.294 1.00 0.00 C ATOM 400 CE1 TYR A 26 46.692 7.741 -2.471 1.00 0.00 C ATOM 401 CE2 TYR A 26 44.421 6.967 -2.822 1.00 0.00 C ATOM 402 CZ TYR A 26 45.384 7.979 -2.910 1.00 0.00 C ATOM 403 OH TYR A 26 45.045 9.212 -3.430 1.00 0.00 O ATOM 0 H TYR A 26 47.517 2.062 -0.652 1.00 0.00 H new ATOM 0 HA TYR A 26 46.417 3.099 -3.207 1.00 0.00 H new ATOM 0 HB2 TYR A 26 45.560 3.636 -0.886 1.00 0.00 H new ATOM 0 HB3 TYR A 26 47.138 4.261 -0.449 1.00 0.00 H new ATOM 0 HD1 TYR A 26 48.043 6.307 -1.603 1.00 0.00 H new ATOM 0 HD2 TYR A 26 44.022 4.937 -2.225 1.00 0.00 H new ATOM 0 HE1 TYR A 26 47.436 8.521 -2.540 1.00 0.00 H new ATOM 0 HE2 TYR A 26 43.412 7.151 -3.162 1.00 0.00 H new ATOM 0 HH TYR A 26 44.100 9.209 -3.688 1.00 0.00 H new ATOM 413 N ASN A 27 48.412 4.099 -4.231 1.00 0.00 N ATOM 414 CA ASN A 27 49.610 4.744 -4.848 1.00 0.00 C ATOM 415 C ASN A 27 49.421 6.263 -4.886 1.00 0.00 C ATOM 416 O ASN A 27 48.512 6.767 -5.518 1.00 0.00 O ATOM 417 CB ASN A 27 49.687 4.174 -6.264 1.00 0.00 C ATOM 418 CG ASN A 27 51.149 4.110 -6.709 1.00 0.00 C ATOM 419 OD1 ASN A 27 51.728 5.112 -7.080 1.00 0.00 O ATOM 420 ND2 ASN A 27 51.776 2.965 -6.688 1.00 0.00 N ATOM 0 H ASN A 27 47.684 3.820 -4.889 1.00 0.00 H new ATOM 0 HA ASN A 27 50.523 4.548 -4.286 1.00 0.00 H new ATOM 0 HB2 ASN A 27 49.243 3.179 -6.291 1.00 0.00 H new ATOM 0 HB3 ASN A 27 49.114 4.797 -6.950 1.00 0.00 H new ATOM 0 HD21 ASN A 27 52.751 2.912 -6.983 1.00 0.00 H new ATOM 0 HD22 ASN A 27 51.291 2.124 -6.377 1.00 0.00 H new ATOM 427 N SER A 28 50.273 6.991 -4.210 1.00 0.00 N ATOM 428 CA SER A 28 50.150 8.481 -4.196 1.00 0.00 C ATOM 429 C SER A 28 50.750 9.103 -5.469 1.00 0.00 C ATOM 430 O SER A 28 50.775 10.311 -5.613 1.00 0.00 O ATOM 431 CB SER A 28 50.934 8.930 -2.963 1.00 0.00 C ATOM 432 OG SER A 28 50.642 8.059 -1.878 1.00 0.00 O ATOM 0 H SER A 28 51.050 6.617 -3.666 1.00 0.00 H new ATOM 0 HA SER A 28 49.107 8.797 -4.164 1.00 0.00 H new ATOM 0 HB2 SER A 28 52.003 8.921 -3.174 1.00 0.00 H new ATOM 0 HB3 SER A 28 50.670 9.955 -2.703 1.00 0.00 H new ATOM 0 HG SER A 28 51.145 8.343 -1.086 1.00 0.00 H new ATOM 438 N VAL A 29 51.232 8.298 -6.389 1.00 0.00 N ATOM 439 CA VAL A 29 51.821 8.859 -7.642 1.00 0.00 C ATOM 440 C VAL A 29 50.803 8.773 -8.782 1.00 0.00 C ATOM 441 O VAL A 29 50.531 9.749 -9.458 1.00 0.00 O ATOM 442 CB VAL A 29 53.044 7.984 -7.939 1.00 0.00 C ATOM 443 CG1 VAL A 29 53.734 8.472 -9.215 1.00 0.00 C ATOM 444 CG2 VAL A 29 54.031 8.068 -6.770 1.00 0.00 C ATOM 0 H VAL A 29 51.242 7.280 -6.324 1.00 0.00 H new ATOM 0 HA VAL A 29 52.095 9.909 -7.538 1.00 0.00 H new ATOM 0 HB VAL A 29 52.719 6.952 -8.073 1.00 0.00 H new ATOM 0 HG11 VAL A 29 54.602 7.846 -9.421 1.00 0.00 H new ATOM 0 HG12 VAL A 29 53.037 8.412 -10.051 1.00 0.00 H new ATOM 0 HG13 VAL A 29 54.054 9.505 -9.083 1.00 0.00 H new ATOM 0 HG21 VAL A 29 54.900 7.445 -6.982 1.00 0.00 H new ATOM 0 HG22 VAL A 29 54.349 9.102 -6.636 1.00 0.00 H new ATOM 0 HG23 VAL A 29 53.547 7.716 -5.859 1.00 0.00 H new ATOM 454 N ILE A 30 50.240 7.611 -8.999 1.00 0.00 N ATOM 455 CA ILE A 30 49.237 7.455 -10.096 1.00 0.00 C ATOM 456 C ILE A 30 47.821 7.731 -9.570 1.00 0.00 C ATOM 457 O ILE A 30 47.005 8.314 -10.260 1.00 0.00 O ATOM 458 CB ILE A 30 49.390 6.016 -10.611 1.00 0.00 C ATOM 459 CG1 ILE A 30 49.127 5.001 -9.492 1.00 0.00 C ATOM 460 CG2 ILE A 30 50.812 5.821 -11.138 1.00 0.00 C ATOM 461 CD1 ILE A 30 49.105 3.593 -10.091 1.00 0.00 C ATOM 0 H ILE A 30 50.432 6.764 -8.464 1.00 0.00 H new ATOM 0 HA ILE A 30 49.402 8.167 -10.905 1.00 0.00 H new ATOM 0 HB ILE A 30 48.663 5.853 -11.406 1.00 0.00 H new ATOM 0 HG12 ILE A 30 49.902 5.073 -8.729 1.00 0.00 H new ATOM 0 HG13 ILE A 30 48.177 5.217 -9.003 1.00 0.00 H new ATOM 0 HG21 ILE A 30 50.927 4.801 -11.505 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.998 6.523 -11.951 1.00 0.00 H new ATOM 0 HG23 ILE A 30 51.526 6.000 -10.334 1.00 0.00 H new ATOM 0 HD11 ILE A 30 48.918 2.865 -9.302 1.00 0.00 H new ATOM 0 HD12 ILE A 30 48.315 3.528 -10.839 1.00 0.00 H new ATOM 0 HD13 ILE A 30 50.066 3.382 -10.560 1.00 0.00 H new ATOM 473 N GLY A 31 47.530 7.347 -8.349 1.00 0.00 N ATOM 474 CA GLY A 31 46.173 7.625 -7.781 1.00 0.00 C ATOM 475 C GLY A 31 45.427 6.325 -7.467 1.00 0.00 C ATOM 476 O GLY A 31 44.828 6.191 -6.415 1.00 0.00 O ATOM 0 H GLY A 31 48.170 6.856 -7.725 1.00 0.00 H new ATOM 0 HA2 GLY A 31 46.271 8.220 -6.873 1.00 0.00 H new ATOM 0 HA3 GLY A 31 45.594 8.218 -8.489 1.00 0.00 H new ATOM 480 N LYS A 32 45.440 5.377 -8.369 1.00 0.00 N ATOM 481 CA LYS A 32 44.710 4.095 -8.118 1.00 0.00 C ATOM 482 C LYS A 32 45.481 3.229 -7.119 1.00 0.00 C ATOM 483 O LYS A 32 46.637 3.475 -6.833 1.00 0.00 O ATOM 484 CB LYS A 32 44.609 3.408 -9.486 1.00 0.00 C ATOM 485 CG LYS A 32 46.011 3.087 -10.027 1.00 0.00 C ATOM 486 CD LYS A 32 46.188 1.568 -10.146 1.00 0.00 C ATOM 487 CE LYS A 32 45.765 1.105 -11.547 1.00 0.00 C ATOM 488 NZ LYS A 32 47.024 0.649 -12.201 1.00 0.00 N ATOM 0 H LYS A 32 45.922 5.434 -9.266 1.00 0.00 H new ATOM 0 HA LYS A 32 43.724 4.262 -7.685 1.00 0.00 H new ATOM 0 HB2 LYS A 32 44.027 2.491 -9.398 1.00 0.00 H new ATOM 0 HB3 LYS A 32 44.081 4.054 -10.187 1.00 0.00 H new ATOM 0 HG2 LYS A 32 46.151 3.556 -11.001 1.00 0.00 H new ATOM 0 HG3 LYS A 32 46.770 3.500 -9.363 1.00 0.00 H new ATOM 0 HD2 LYS A 32 47.228 1.298 -9.962 1.00 0.00 H new ATOM 0 HD3 LYS A 32 45.589 1.062 -9.389 1.00 0.00 H new ATOM 0 HE2 LYS A 32 45.035 0.298 -11.492 1.00 0.00 H new ATOM 0 HE3 LYS A 32 45.301 1.917 -12.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 46.814 0.317 -13.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 47.698 1.440 -12.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 47.440 -0.129 -11.650 1.00 0.00 H new ATOM 502 N CYS A 33 44.843 2.219 -6.586 1.00 0.00 N ATOM 503 CA CYS A 33 45.527 1.331 -5.603 1.00 0.00 C ATOM 504 C CYS A 33 46.220 0.177 -6.324 1.00 0.00 C ATOM 505 O CYS A 33 45.583 -0.626 -6.981 1.00 0.00 O ATOM 506 CB CYS A 33 44.415 0.794 -4.709 1.00 0.00 C ATOM 507 SG CYS A 33 43.633 2.161 -3.816 1.00 0.00 S ATOM 0 H CYS A 33 43.875 1.972 -6.791 1.00 0.00 H new ATOM 0 HA CYS A 33 46.291 1.864 -5.036 1.00 0.00 H new ATOM 0 HB2 CYS A 33 43.673 0.269 -5.311 1.00 0.00 H new ATOM 0 HB3 CYS A 33 44.821 0.071 -4.002 1.00 0.00 H new ATOM 512 N ARG A 34 47.516 0.088 -6.201 1.00 0.00 N ATOM 513 CA ARG A 34 48.259 -1.015 -6.870 1.00 0.00 C ATOM 514 C ARG A 34 48.360 -2.228 -5.922 1.00 0.00 C ATOM 515 O ARG A 34 48.887 -2.089 -4.836 1.00 0.00 O ATOM 516 CB ARG A 34 49.649 -0.437 -7.159 1.00 0.00 C ATOM 517 CG ARG A 34 49.843 -0.303 -8.671 1.00 0.00 C ATOM 518 CD ARG A 34 50.600 -1.527 -9.197 1.00 0.00 C ATOM 519 NE ARG A 34 51.493 -1.002 -10.269 1.00 0.00 N ATOM 520 CZ ARG A 34 52.686 -1.511 -10.428 1.00 0.00 C ATOM 521 NH1 ARG A 34 52.844 -2.598 -11.133 1.00 0.00 N ATOM 522 NH2 ARG A 34 53.720 -0.931 -9.883 1.00 0.00 N ATOM 0 H ARG A 34 48.094 0.735 -5.664 1.00 0.00 H new ATOM 0 HA ARG A 34 47.767 -1.360 -7.780 1.00 0.00 H new ATOM 0 HB2 ARG A 34 49.756 0.536 -6.680 1.00 0.00 H new ATOM 0 HB3 ARG A 34 50.418 -1.085 -6.739 1.00 0.00 H new ATOM 0 HG2 ARG A 34 48.876 -0.219 -9.167 1.00 0.00 H new ATOM 0 HG3 ARG A 34 50.398 0.607 -8.898 1.00 0.00 H new ATOM 0 HD2 ARG A 34 51.175 -2.005 -8.404 1.00 0.00 H new ATOM 0 HD3 ARG A 34 49.913 -2.277 -9.589 1.00 0.00 H new ATOM 0 HE ARG A 34 51.174 -0.248 -10.877 1.00 0.00 H new ATOM 0 HH11 ARG A 34 52.036 -3.051 -11.560 1.00 0.00 H new ATOM 0 HH12 ARG A 34 53.776 -2.995 -11.257 1.00 0.00 H new ATOM 0 HH21 ARG A 34 53.597 -0.081 -9.333 1.00 0.00 H new ATOM 0 HH22 ARG A 34 54.651 -1.328 -10.007 1.00 0.00 H new ATOM 536 N PRO A 35 47.861 -3.390 -6.332 1.00 0.00 N ATOM 537 CA PRO A 35 47.936 -4.576 -5.448 1.00 0.00 C ATOM 538 C PRO A 35 49.399 -4.942 -5.178 1.00 0.00 C ATOM 539 O PRO A 35 50.214 -4.976 -6.080 1.00 0.00 O ATOM 540 CB PRO A 35 47.235 -5.665 -6.268 1.00 0.00 C ATOM 541 CG PRO A 35 46.777 -5.061 -7.608 1.00 0.00 C ATOM 542 CD PRO A 35 47.211 -3.592 -7.660 1.00 0.00 C ATOM 0 HA PRO A 35 47.479 -4.424 -4.470 1.00 0.00 H new ATOM 0 HB2 PRO A 35 47.913 -6.501 -6.443 1.00 0.00 H new ATOM 0 HB3 PRO A 35 46.379 -6.058 -5.719 1.00 0.00 H new ATOM 0 HG2 PRO A 35 47.214 -5.613 -8.440 1.00 0.00 H new ATOM 0 HG3 PRO A 35 45.694 -5.139 -7.707 1.00 0.00 H new ATOM 0 HD2 PRO A 35 47.903 -3.404 -8.481 1.00 0.00 H new ATOM 0 HD3 PRO A 35 46.361 -2.924 -7.800 1.00 0.00 H new ATOM 550 N PHE A 36 49.728 -5.223 -3.945 1.00 0.00 N ATOM 551 CA PHE A 36 51.130 -5.599 -3.611 1.00 0.00 C ATOM 552 C PHE A 36 51.120 -6.837 -2.705 1.00 0.00 C ATOM 553 O PHE A 36 50.256 -6.979 -1.860 1.00 0.00 O ATOM 554 CB PHE A 36 51.737 -4.357 -2.914 1.00 0.00 C ATOM 555 CG PHE A 36 51.202 -4.183 -1.504 1.00 0.00 C ATOM 556 CD1 PHE A 36 49.878 -3.783 -1.293 1.00 0.00 C ATOM 557 CD2 PHE A 36 52.042 -4.421 -0.409 1.00 0.00 C ATOM 558 CE1 PHE A 36 49.393 -3.624 0.012 1.00 0.00 C ATOM 559 CE2 PHE A 36 51.558 -4.261 0.894 1.00 0.00 C ATOM 560 CZ PHE A 36 50.234 -3.862 1.105 1.00 0.00 C ATOM 0 H PHE A 36 49.084 -5.208 -3.154 1.00 0.00 H new ATOM 0 HA PHE A 36 51.725 -5.864 -4.485 1.00 0.00 H new ATOM 0 HB2 PHE A 36 52.822 -4.453 -2.882 1.00 0.00 H new ATOM 0 HB3 PHE A 36 51.513 -3.466 -3.500 1.00 0.00 H new ATOM 0 HD1 PHE A 36 49.230 -3.597 -2.136 1.00 0.00 H new ATOM 0 HD2 PHE A 36 53.065 -4.728 -0.571 1.00 0.00 H new ATOM 0 HE1 PHE A 36 48.370 -3.318 0.174 1.00 0.00 H new ATOM 0 HE2 PHE A 36 52.207 -4.446 1.737 1.00 0.00 H new ATOM 0 HZ PHE A 36 49.861 -3.738 2.111 1.00 0.00 H new ATOM 570 N LYS A 37 52.061 -7.729 -2.884 1.00 0.00 N ATOM 571 CA LYS A 37 52.099 -8.959 -2.035 1.00 0.00 C ATOM 572 C LYS A 37 52.376 -8.575 -0.589 1.00 0.00 C ATOM 573 O LYS A 37 53.494 -8.648 -0.118 1.00 0.00 O ATOM 574 CB LYS A 37 53.239 -9.807 -2.595 1.00 0.00 C ATOM 575 CG LYS A 37 52.720 -10.634 -3.775 1.00 0.00 C ATOM 576 CD LYS A 37 53.750 -10.615 -4.904 1.00 0.00 C ATOM 577 CE LYS A 37 53.590 -9.326 -5.712 1.00 0.00 C ATOM 578 NZ LYS A 37 54.461 -9.508 -6.905 1.00 0.00 N ATOM 0 H LYS A 37 52.803 -7.659 -3.580 1.00 0.00 H new ATOM 0 HA LYS A 37 51.154 -9.503 -2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 37 54.060 -9.167 -2.918 1.00 0.00 H new ATOM 0 HB3 LYS A 37 53.633 -10.465 -1.820 1.00 0.00 H new ATOM 0 HG2 LYS A 37 52.531 -11.660 -3.458 1.00 0.00 H new ATOM 0 HG3 LYS A 37 51.771 -10.229 -4.127 1.00 0.00 H new ATOM 0 HD2 LYS A 37 54.758 -10.678 -4.494 1.00 0.00 H new ATOM 0 HD3 LYS A 37 53.614 -11.482 -5.550 1.00 0.00 H new ATOM 0 HE2 LYS A 37 52.551 -9.169 -6.002 1.00 0.00 H new ATOM 0 HE3 LYS A 37 53.894 -8.456 -5.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 54.404 -8.663 -7.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 55.445 -9.649 -6.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 54.144 -10.340 -7.443 1.00 0.00 H new ATOM 592 N TYR A 38 51.359 -8.161 0.114 1.00 0.00 N ATOM 593 CA TYR A 38 51.540 -7.757 1.536 1.00 0.00 C ATOM 594 C TYR A 38 52.046 -8.944 2.357 1.00 0.00 C ATOM 595 O TYR A 38 51.852 -10.096 1.999 1.00 0.00 O ATOM 596 CB TYR A 38 50.144 -7.305 2.002 1.00 0.00 C ATOM 597 CG TYR A 38 50.133 -7.079 3.500 1.00 0.00 C ATOM 598 CD1 TYR A 38 50.946 -6.089 4.063 1.00 0.00 C ATOM 599 CD2 TYR A 38 49.316 -7.866 4.321 1.00 0.00 C ATOM 600 CE1 TYR A 38 50.941 -5.886 5.447 1.00 0.00 C ATOM 601 CE2 TYR A 38 49.309 -7.663 5.706 1.00 0.00 C ATOM 602 CZ TYR A 38 50.122 -6.672 6.271 1.00 0.00 C ATOM 603 OH TYR A 38 50.116 -6.474 7.639 1.00 0.00 O ATOM 0 H TYR A 38 50.405 -8.085 -0.238 1.00 0.00 H new ATOM 0 HA TYR A 38 52.276 -6.962 1.658 1.00 0.00 H new ATOM 0 HB2 TYR A 38 49.862 -6.386 1.487 1.00 0.00 H new ATOM 0 HB3 TYR A 38 49.403 -8.059 1.736 1.00 0.00 H new ATOM 0 HD1 TYR A 38 51.577 -5.482 3.430 1.00 0.00 H new ATOM 0 HD2 TYR A 38 48.690 -8.631 3.885 1.00 0.00 H new ATOM 0 HE1 TYR A 38 51.569 -5.123 5.882 1.00 0.00 H new ATOM 0 HE2 TYR A 38 48.678 -8.270 6.338 1.00 0.00 H new ATOM 0 HH TYR A 38 50.675 -5.700 7.860 1.00 0.00 H new ATOM 613 N SER A 39 52.683 -8.653 3.463 1.00 0.00 N ATOM 614 CA SER A 39 53.201 -9.732 4.341 1.00 0.00 C ATOM 615 C SER A 39 52.030 -10.347 5.115 1.00 0.00 C ATOM 616 O SER A 39 50.884 -10.135 4.768 1.00 0.00 O ATOM 617 CB SER A 39 54.199 -9.046 5.275 1.00 0.00 C ATOM 618 OG SER A 39 55.295 -8.560 4.511 1.00 0.00 O ATOM 0 H SER A 39 52.865 -7.705 3.793 1.00 0.00 H new ATOM 0 HA SER A 39 53.683 -10.542 3.793 1.00 0.00 H new ATOM 0 HB2 SER A 39 53.716 -8.224 5.803 1.00 0.00 H new ATOM 0 HB3 SER A 39 54.550 -9.748 6.031 1.00 0.00 H new ATOM 0 HG SER A 39 55.987 -8.216 5.114 1.00 0.00 H new ATOM 624 N GLY A 40 52.300 -11.136 6.123 1.00 0.00 N ATOM 625 CA GLY A 40 51.191 -11.794 6.875 1.00 0.00 C ATOM 626 C GLY A 40 50.922 -11.103 8.215 1.00 0.00 C ATOM 627 O GLY A 40 49.968 -11.441 8.890 1.00 0.00 O ATOM 0 H GLY A 40 53.239 -11.353 6.457 1.00 0.00 H new ATOM 0 HA2 GLY A 40 50.284 -11.780 6.271 1.00 0.00 H new ATOM 0 HA3 GLY A 40 51.441 -12.840 7.050 1.00 0.00 H new ATOM 631 N CYS A 41 51.732 -10.149 8.624 1.00 0.00 N ATOM 632 CA CYS A 41 51.457 -9.485 9.945 1.00 0.00 C ATOM 633 C CYS A 41 52.326 -8.235 10.171 1.00 0.00 C ATOM 634 O CYS A 41 53.439 -8.129 9.685 1.00 0.00 O ATOM 635 CB CYS A 41 51.725 -10.539 11.058 1.00 0.00 C ATOM 636 SG CYS A 41 52.993 -11.780 10.612 1.00 0.00 S ATOM 0 H CYS A 41 52.549 -9.809 8.117 1.00 0.00 H new ATOM 0 HA CYS A 41 50.423 -9.140 9.963 1.00 0.00 H new ATOM 0 HB2 CYS A 41 52.039 -10.023 11.966 1.00 0.00 H new ATOM 0 HB3 CYS A 41 50.793 -11.054 11.290 1.00 0.00 H new ATOM 641 N GLY A 42 51.812 -7.292 10.933 1.00 0.00 N ATOM 642 CA GLY A 42 52.579 -6.043 11.240 1.00 0.00 C ATOM 643 C GLY A 42 52.491 -5.054 10.079 1.00 0.00 C ATOM 644 O GLY A 42 51.864 -5.309 9.072 1.00 0.00 O ATOM 0 H GLY A 42 50.886 -7.338 11.357 1.00 0.00 H new ATOM 0 HA2 GLY A 42 52.186 -5.583 12.146 1.00 0.00 H new ATOM 0 HA3 GLY A 42 53.623 -6.290 11.435 1.00 0.00 H new ATOM 648 N GLY A 43 53.131 -3.920 10.226 1.00 0.00 N ATOM 649 CA GLY A 43 53.117 -2.887 9.150 1.00 0.00 C ATOM 650 C GLY A 43 52.147 -1.763 9.516 1.00 0.00 C ATOM 651 O GLY A 43 51.709 -1.657 10.647 1.00 0.00 O ATOM 0 H GLY A 43 53.668 -3.666 11.055 1.00 0.00 H new ATOM 0 HA2 GLY A 43 54.119 -2.482 9.010 1.00 0.00 H new ATOM 0 HA3 GLY A 43 52.821 -3.340 8.204 1.00 0.00 H new ATOM 655 N ASN A 44 51.803 -0.924 8.565 1.00 0.00 N ATOM 656 CA ASN A 44 50.849 0.191 8.852 1.00 0.00 C ATOM 657 C ASN A 44 49.424 -0.368 8.896 1.00 0.00 C ATOM 658 O ASN A 44 49.227 -1.552 9.101 1.00 0.00 O ATOM 659 CB ASN A 44 51.007 1.176 7.687 1.00 0.00 C ATOM 660 CG ASN A 44 50.763 2.606 8.183 1.00 0.00 C ATOM 661 OD1 ASN A 44 49.965 3.392 7.510 1.00 0.00 O flip ATOM 662 ND2 ASN A 44 51.303 3.011 9.194 1.00 0.00 N flip ATOM 0 H ASN A 44 52.143 -0.965 7.604 1.00 0.00 H new ATOM 0 HA ASN A 44 51.045 0.676 9.808 1.00 0.00 H new ATOM 0 HB2 ASN A 44 52.007 1.094 7.262 1.00 0.00 H new ATOM 0 HB3 ASN A 44 50.302 0.931 6.893 1.00 0.00 H new ATOM 0 HD21 ASN A 44 51.926 2.398 9.720 1.00 0.00 H new ATOM 0 HD22 ASN A 44 51.133 3.964 9.516 1.00 0.00 H new ATOM 669 N GLU A 45 48.434 0.463 8.699 1.00 0.00 N ATOM 670 CA GLU A 45 47.026 -0.031 8.723 1.00 0.00 C ATOM 671 C GLU A 45 46.302 0.385 7.441 1.00 0.00 C ATOM 672 O GLU A 45 45.103 0.596 7.433 1.00 0.00 O ATOM 673 CB GLU A 45 46.394 0.626 9.950 1.00 0.00 C ATOM 674 CG GLU A 45 46.545 -0.307 11.153 1.00 0.00 C ATOM 675 CD GLU A 45 45.658 -1.539 10.960 1.00 0.00 C ATOM 676 OE1 GLU A 45 44.524 -1.367 10.544 1.00 0.00 O ATOM 677 OE2 GLU A 45 46.127 -2.631 11.230 1.00 0.00 O ATOM 0 H GLU A 45 48.540 1.462 8.523 1.00 0.00 H new ATOM 0 HA GLU A 45 46.966 -1.118 8.777 1.00 0.00 H new ATOM 0 HB2 GLU A 45 46.875 1.583 10.154 1.00 0.00 H new ATOM 0 HB3 GLU A 45 45.340 0.832 9.765 1.00 0.00 H new ATOM 0 HG2 GLU A 45 47.586 -0.610 11.263 1.00 0.00 H new ATOM 0 HG3 GLU A 45 46.266 0.215 12.068 1.00 0.00 H new ATOM 684 N ASN A 46 47.027 0.495 6.358 1.00 0.00 N ATOM 685 CA ASN A 46 46.397 0.886 5.062 1.00 0.00 C ATOM 686 C ASN A 46 46.299 -0.341 4.148 1.00 0.00 C ATOM 687 O ASN A 46 46.369 -0.239 2.938 1.00 0.00 O ATOM 688 CB ASN A 46 47.335 1.944 4.469 1.00 0.00 C ATOM 689 CG ASN A 46 46.776 2.439 3.134 1.00 0.00 C ATOM 690 OD1 ASN A 46 47.206 2.004 2.084 1.00 0.00 O ATOM 691 ND2 ASN A 46 45.830 3.336 3.130 1.00 0.00 N ATOM 0 H ASN A 46 48.033 0.330 6.316 1.00 0.00 H new ATOM 0 HA ASN A 46 45.386 1.274 5.182 1.00 0.00 H new ATOM 0 HB2 ASN A 46 47.441 2.779 5.162 1.00 0.00 H new ATOM 0 HB3 ASN A 46 48.329 1.522 4.324 1.00 0.00 H new ATOM 0 HD21 ASN A 46 45.450 3.673 2.245 1.00 0.00 H new ATOM 0 HD22 ASN A 46 45.469 3.701 4.012 1.00 0.00 H new ATOM 698 N ASN A 47 46.137 -1.504 4.728 1.00 0.00 N ATOM 699 CA ASN A 47 46.032 -2.748 3.911 1.00 0.00 C ATOM 700 C ASN A 47 44.572 -3.017 3.544 1.00 0.00 C ATOM 701 O ASN A 47 43.824 -3.589 4.316 1.00 0.00 O ATOM 702 CB ASN A 47 46.577 -3.855 4.812 1.00 0.00 C ATOM 703 CG ASN A 47 48.098 -3.725 4.908 1.00 0.00 C ATOM 704 OD1 ASN A 47 48.820 -4.368 4.173 1.00 0.00 O ATOM 705 ND2 ASN A 47 48.616 -2.910 5.784 1.00 0.00 N ATOM 0 H ASN A 47 46.073 -1.644 5.736 1.00 0.00 H new ATOM 0 HA ASN A 47 46.583 -2.678 2.973 1.00 0.00 H new ATOM 0 HB2 ASN A 47 46.131 -3.785 5.804 1.00 0.00 H new ATOM 0 HB3 ASN A 47 46.309 -4.832 4.410 1.00 0.00 H new ATOM 0 HD21 ASN A 47 49.629 -2.812 5.853 1.00 0.00 H new ATOM 0 HD22 ASN A 47 48.008 -2.371 6.401 1.00 0.00 H new ATOM 712 N PHE A 48 44.165 -2.606 2.370 1.00 0.00 N ATOM 713 CA PHE A 48 42.754 -2.828 1.941 1.00 0.00 C ATOM 714 C PHE A 48 42.599 -4.219 1.323 1.00 0.00 C ATOM 715 O PHE A 48 43.467 -4.691 0.610 1.00 0.00 O ATOM 716 CB PHE A 48 42.487 -1.746 0.895 1.00 0.00 C ATOM 717 CG PHE A 48 42.228 -0.431 1.590 1.00 0.00 C ATOM 718 CD1 PHE A 48 41.011 -0.215 2.246 1.00 0.00 C ATOM 719 CD2 PHE A 48 43.204 0.571 1.578 1.00 0.00 C ATOM 720 CE1 PHE A 48 40.770 1.004 2.891 1.00 0.00 C ATOM 721 CE2 PHE A 48 42.965 1.791 2.222 1.00 0.00 C ATOM 722 CZ PHE A 48 41.747 2.006 2.879 1.00 0.00 C ATOM 0 H PHE A 48 44.752 -2.125 1.689 1.00 0.00 H new ATOM 0 HA PHE A 48 42.055 -2.773 2.776 1.00 0.00 H new ATOM 0 HB2 PHE A 48 43.342 -1.654 0.225 1.00 0.00 H new ATOM 0 HB3 PHE A 48 41.629 -2.021 0.282 1.00 0.00 H new ATOM 0 HD1 PHE A 48 40.258 -0.989 2.255 1.00 0.00 H new ATOM 0 HD2 PHE A 48 44.143 0.403 1.071 1.00 0.00 H new ATOM 0 HE1 PHE A 48 39.831 1.171 3.397 1.00 0.00 H new ATOM 0 HE2 PHE A 48 43.718 2.565 2.212 1.00 0.00 H new ATOM 0 HZ PHE A 48 41.561 2.946 3.377 1.00 0.00 H new ATOM 732 N THR A 49 41.498 -4.875 1.588 1.00 0.00 N ATOM 733 CA THR A 49 41.277 -6.236 1.016 1.00 0.00 C ATOM 734 C THR A 49 40.399 -6.147 -0.239 1.00 0.00 C ATOM 735 O THR A 49 39.715 -7.087 -0.597 1.00 0.00 O ATOM 736 CB THR A 49 40.573 -7.031 2.125 1.00 0.00 C ATOM 737 OG1 THR A 49 40.322 -8.352 1.669 1.00 0.00 O ATOM 738 CG2 THR A 49 39.246 -6.361 2.503 1.00 0.00 C ATOM 0 H THR A 49 40.742 -4.526 2.177 1.00 0.00 H new ATOM 0 HA THR A 49 42.209 -6.713 0.713 1.00 0.00 H new ATOM 0 HB THR A 49 41.217 -7.058 3.004 1.00 0.00 H new ATOM 0 HG1 THR A 49 39.954 -8.320 0.761 1.00 0.00 H new ATOM 0 HG21 THR A 49 38.759 -6.937 3.290 1.00 0.00 H new ATOM 0 HG22 THR A 49 39.438 -5.349 2.859 1.00 0.00 H new ATOM 0 HG23 THR A 49 38.597 -6.321 1.628 1.00 0.00 H new ATOM 746 N SER A 50 40.416 -5.017 -0.908 1.00 0.00 N ATOM 747 CA SER A 50 39.587 -4.852 -2.141 1.00 0.00 C ATOM 748 C SER A 50 39.952 -3.542 -2.846 1.00 0.00 C ATOM 749 O SER A 50 40.733 -2.756 -2.343 1.00 0.00 O ATOM 750 CB SER A 50 38.140 -4.803 -1.649 1.00 0.00 C ATOM 751 OG SER A 50 37.602 -6.119 -1.641 1.00 0.00 O ATOM 0 H SER A 50 40.971 -4.201 -0.650 1.00 0.00 H new ATOM 0 HA SER A 50 39.747 -5.660 -2.855 1.00 0.00 H new ATOM 0 HB2 SER A 50 38.099 -4.375 -0.648 1.00 0.00 H new ATOM 0 HB3 SER A 50 37.545 -4.158 -2.296 1.00 0.00 H new ATOM 0 HG SER A 50 38.062 -6.656 -0.963 1.00 0.00 H new ATOM 757 N LYS A 51 39.390 -3.304 -4.003 1.00 0.00 N ATOM 758 CA LYS A 51 39.696 -2.045 -4.745 1.00 0.00 C ATOM 759 C LYS A 51 38.570 -1.026 -4.543 1.00 0.00 C ATOM 760 O LYS A 51 38.814 0.153 -4.356 1.00 0.00 O ATOM 761 CB LYS A 51 39.787 -2.463 -6.214 1.00 0.00 C ATOM 762 CG LYS A 51 40.364 -1.311 -7.039 1.00 0.00 C ATOM 763 CD LYS A 51 39.778 -1.352 -8.451 1.00 0.00 C ATOM 764 CE LYS A 51 38.415 -0.655 -8.461 1.00 0.00 C ATOM 765 NZ LYS A 51 37.711 -1.206 -9.652 1.00 0.00 N ATOM 0 H LYS A 51 38.731 -3.929 -4.467 1.00 0.00 H new ATOM 0 HA LYS A 51 40.616 -1.574 -4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 51 40.418 -3.346 -6.313 1.00 0.00 H new ATOM 0 HB3 LYS A 51 38.799 -2.733 -6.588 1.00 0.00 H new ATOM 0 HG2 LYS A 51 40.131 -0.358 -6.565 1.00 0.00 H new ATOM 0 HG3 LYS A 51 41.450 -1.389 -7.082 1.00 0.00 H new ATOM 0 HD2 LYS A 51 40.454 -0.861 -9.151 1.00 0.00 H new ATOM 0 HD3 LYS A 51 39.672 -2.385 -8.782 1.00 0.00 H new ATOM 0 HE2 LYS A 51 37.860 -0.859 -7.545 1.00 0.00 H new ATOM 0 HE3 LYS A 51 38.525 0.427 -8.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 36.767 -0.776 -9.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 38.259 -0.991 -10.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 37.615 -2.237 -9.552 1.00 0.00 H new ATOM 779 N GLN A 52 37.339 -1.476 -4.573 1.00 0.00 N ATOM 780 CA GLN A 52 36.189 -0.539 -4.381 1.00 0.00 C ATOM 781 C GLN A 52 36.284 0.140 -3.009 1.00 0.00 C ATOM 782 O GLN A 52 35.840 1.257 -2.828 1.00 0.00 O ATOM 783 CB GLN A 52 34.928 -1.412 -4.474 1.00 0.00 C ATOM 784 CG GLN A 52 34.941 -2.479 -3.374 1.00 0.00 C ATOM 785 CD GLN A 52 33.616 -3.245 -3.392 1.00 0.00 C ATOM 786 OE1 GLN A 52 33.449 -4.173 -4.159 1.00 0.00 O ATOM 787 NE2 GLN A 52 32.662 -2.895 -2.573 1.00 0.00 N ATOM 0 H GLN A 52 37.081 -2.452 -4.722 1.00 0.00 H new ATOM 0 HA GLN A 52 36.178 0.256 -5.127 1.00 0.00 H new ATOM 0 HB2 GLN A 52 34.038 -0.790 -4.377 1.00 0.00 H new ATOM 0 HB3 GLN A 52 34.878 -1.889 -5.453 1.00 0.00 H new ATOM 0 HG2 GLN A 52 35.773 -3.166 -3.529 1.00 0.00 H new ATOM 0 HG3 GLN A 52 35.090 -2.012 -2.401 1.00 0.00 H new ATOM 0 HE21 GLN A 52 32.802 -2.116 -1.929 1.00 0.00 H new ATOM 0 HE22 GLN A 52 31.776 -3.400 -2.576 1.00 0.00 H new ATOM 796 N GLU A 53 36.866 -0.532 -2.048 1.00 0.00 N ATOM 797 CA GLU A 53 37.001 0.063 -0.687 1.00 0.00 C ATOM 798 C GLU A 53 38.235 0.966 -0.631 1.00 0.00 C ATOM 799 O GLU A 53 38.231 1.997 0.016 1.00 0.00 O ATOM 800 CB GLU A 53 37.164 -1.132 0.255 1.00 0.00 C ATOM 801 CG GLU A 53 36.358 -0.889 1.534 1.00 0.00 C ATOM 802 CD GLU A 53 37.250 -0.219 2.580 1.00 0.00 C ATOM 803 OE1 GLU A 53 37.394 0.991 2.520 1.00 0.00 O ATOM 804 OE2 GLU A 53 37.773 -0.926 3.425 1.00 0.00 O ATOM 0 H GLU A 53 37.254 -1.470 -2.149 1.00 0.00 H new ATOM 0 HA GLU A 53 36.143 0.678 -0.415 1.00 0.00 H new ATOM 0 HB2 GLU A 53 36.822 -2.044 -0.235 1.00 0.00 H new ATOM 0 HB3 GLU A 53 38.217 -1.276 0.498 1.00 0.00 H new ATOM 0 HG2 GLU A 53 35.495 -0.258 1.319 1.00 0.00 H new ATOM 0 HG3 GLU A 53 35.974 -1.834 1.919 1.00 0.00 H new ATOM 811 N CYS A 54 39.291 0.587 -1.308 1.00 0.00 N ATOM 812 CA CYS A 54 40.535 1.421 -1.302 1.00 0.00 C ATOM 813 C CYS A 54 40.231 2.827 -1.832 1.00 0.00 C ATOM 814 O CYS A 54 40.795 3.806 -1.381 1.00 0.00 O ATOM 815 CB CYS A 54 41.513 0.697 -2.231 1.00 0.00 C ATOM 816 SG CYS A 54 43.175 1.381 -2.010 1.00 0.00 S ATOM 0 H CYS A 54 39.346 -0.265 -1.866 1.00 0.00 H new ATOM 0 HA CYS A 54 40.944 1.539 -0.299 1.00 0.00 H new ATOM 0 HB2 CYS A 54 41.516 -0.371 -2.013 1.00 0.00 H new ATOM 0 HB3 CYS A 54 41.197 0.809 -3.268 1.00 0.00 H new ATOM 821 N LEU A 55 39.338 2.928 -2.784 1.00 0.00 N ATOM 822 CA LEU A 55 38.983 4.264 -3.347 1.00 0.00 C ATOM 823 C LEU A 55 37.910 4.931 -2.480 1.00 0.00 C ATOM 824 O LEU A 55 37.971 6.112 -2.198 1.00 0.00 O ATOM 825 CB LEU A 55 38.430 3.973 -4.743 1.00 0.00 C ATOM 826 CG LEU A 55 39.578 3.914 -5.751 1.00 0.00 C ATOM 827 CD1 LEU A 55 39.086 3.262 -7.045 1.00 0.00 C ATOM 828 CD2 LEU A 55 40.066 5.333 -6.052 1.00 0.00 C ATOM 0 H LEU A 55 38.839 2.140 -3.196 1.00 0.00 H new ATOM 0 HA LEU A 55 39.838 4.939 -3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 55 37.887 3.028 -4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 55 37.719 4.747 -5.032 1.00 0.00 H new ATOM 0 HG LEU A 55 40.397 3.327 -5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 55 39.904 3.219 -7.765 1.00 0.00 H new ATOM 0 HD12 LEU A 55 38.736 2.252 -6.833 1.00 0.00 H new ATOM 0 HD13 LEU A 55 38.267 3.850 -7.460 1.00 0.00 H new ATOM 0 HD21 LEU A 55 40.885 5.291 -6.771 1.00 0.00 H new ATOM 0 HD22 LEU A 55 39.247 5.919 -6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 55 40.415 5.801 -5.131 1.00 0.00 H new ATOM 840 N ARG A 56 36.927 4.177 -2.064 1.00 0.00 N ATOM 841 CA ARG A 56 35.834 4.753 -1.220 1.00 0.00 C ATOM 842 C ARG A 56 36.375 5.241 0.131 1.00 0.00 C ATOM 843 O ARG A 56 35.730 6.016 0.814 1.00 0.00 O ATOM 844 CB ARG A 56 34.843 3.604 -1.010 1.00 0.00 C ATOM 845 CG ARG A 56 33.919 3.496 -2.225 1.00 0.00 C ATOM 846 CD ARG A 56 33.209 2.140 -2.209 1.00 0.00 C ATOM 847 NE ARG A 56 31.892 2.403 -1.566 1.00 0.00 N ATOM 848 CZ ARG A 56 31.535 1.726 -0.510 1.00 0.00 C ATOM 849 NH1 ARG A 56 30.917 0.584 -0.644 1.00 0.00 N ATOM 850 NH2 ARG A 56 31.796 2.190 0.682 1.00 0.00 N ATOM 0 H ARG A 56 36.832 3.183 -2.272 1.00 0.00 H new ATOM 0 HA ARG A 56 35.373 5.617 -1.699 1.00 0.00 H new ATOM 0 HB2 ARG A 56 35.382 2.667 -0.865 1.00 0.00 H new ATOM 0 HB3 ARG A 56 34.256 3.777 -0.108 1.00 0.00 H new ATOM 0 HG2 ARG A 56 33.186 4.302 -2.210 1.00 0.00 H new ATOM 0 HG3 ARG A 56 34.495 3.606 -3.144 1.00 0.00 H new ATOM 0 HD2 ARG A 56 33.084 1.748 -3.218 1.00 0.00 H new ATOM 0 HD3 ARG A 56 33.782 1.401 -1.648 1.00 0.00 H new ATOM 0 HE ARG A 56 31.269 3.113 -1.951 1.00 0.00 H new ATOM 0 HH11 ARG A 56 30.713 0.221 -1.575 1.00 0.00 H new ATOM 0 HH12 ARG A 56 30.638 0.055 0.182 1.00 0.00 H new ATOM 0 HH21 ARG A 56 32.279 3.082 0.787 1.00 0.00 H new ATOM 0 HH22 ARG A 56 31.517 1.660 1.508 1.00 0.00 H new ATOM 864 N ALA A 57 37.541 4.790 0.530 1.00 0.00 N ATOM 865 CA ALA A 57 38.102 5.225 1.845 1.00 0.00 C ATOM 866 C ALA A 57 39.153 6.324 1.662 1.00 0.00 C ATOM 867 O ALA A 57 39.126 7.333 2.343 1.00 0.00 O ATOM 868 CB ALA A 57 38.745 3.971 2.436 1.00 0.00 C ATOM 0 H ALA A 57 38.125 4.142 0.002 1.00 0.00 H new ATOM 0 HA ALA A 57 37.330 5.641 2.492 1.00 0.00 H new ATOM 0 HB1 ALA A 57 39.181 4.209 3.406 1.00 0.00 H new ATOM 0 HB2 ALA A 57 37.987 3.197 2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 57 39.526 3.612 1.765 1.00 0.00 H new ATOM 874 N CYS A 58 40.087 6.132 0.763 1.00 0.00 N ATOM 875 CA CYS A 58 41.150 7.162 0.553 1.00 0.00 C ATOM 876 C CYS A 58 40.679 8.253 -0.415 1.00 0.00 C ATOM 877 O CYS A 58 40.900 9.427 -0.184 1.00 0.00 O ATOM 878 CB CYS A 58 42.334 6.394 -0.035 1.00 0.00 C ATOM 879 SG CYS A 58 43.349 5.731 1.312 1.00 0.00 S ATOM 0 H CYS A 58 40.159 5.308 0.167 1.00 0.00 H new ATOM 0 HA CYS A 58 41.409 7.671 1.482 1.00 0.00 H new ATOM 0 HB2 CYS A 58 41.977 5.583 -0.669 1.00 0.00 H new ATOM 0 HB3 CYS A 58 42.932 7.052 -0.666 1.00 0.00 H new ATOM 884 N LYS A 59 40.036 7.880 -1.495 1.00 0.00 N ATOM 885 CA LYS A 59 39.557 8.904 -2.475 1.00 0.00 C ATOM 886 C LYS A 59 38.214 9.511 -2.039 1.00 0.00 C ATOM 887 O LYS A 59 37.628 10.298 -2.757 1.00 0.00 O ATOM 888 CB LYS A 59 39.393 8.149 -3.795 1.00 0.00 C ATOM 889 CG LYS A 59 39.377 9.146 -4.960 1.00 0.00 C ATOM 890 CD LYS A 59 40.770 9.218 -5.599 1.00 0.00 C ATOM 891 CE LYS A 59 40.634 9.262 -7.124 1.00 0.00 C ATOM 892 NZ LYS A 59 41.818 10.035 -7.593 1.00 0.00 N ATOM 0 H LYS A 59 39.823 6.913 -1.740 1.00 0.00 H new ATOM 0 HA LYS A 59 40.258 9.735 -2.555 1.00 0.00 H new ATOM 0 HB2 LYS A 59 40.209 7.438 -3.923 1.00 0.00 H new ATOM 0 HB3 LYS A 59 38.468 7.573 -3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 59 38.641 8.840 -5.703 1.00 0.00 H new ATOM 0 HG3 LYS A 59 39.079 10.132 -4.603 1.00 0.00 H new ATOM 0 HD2 LYS A 59 41.298 10.103 -5.245 1.00 0.00 H new ATOM 0 HD3 LYS A 59 41.363 8.353 -5.301 1.00 0.00 H new ATOM 0 HE2 LYS A 59 40.624 8.258 -7.549 1.00 0.00 H new ATOM 0 HE3 LYS A 59 39.704 9.744 -7.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 41.796 10.109 -8.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 41.797 10.988 -7.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 42.689 9.549 -7.299 1.00 0.00 H new ATOM 906 N LYS A 60 37.718 9.159 -0.870 1.00 0.00 N ATOM 907 CA LYS A 60 36.410 9.722 -0.392 1.00 0.00 C ATOM 908 C LYS A 60 35.314 9.528 -1.448 1.00 0.00 C ATOM 909 O LYS A 60 34.600 10.453 -1.788 1.00 0.00 O ATOM 910 CB LYS A 60 36.671 11.213 -0.158 1.00 0.00 C ATOM 911 CG LYS A 60 37.368 11.404 1.192 1.00 0.00 C ATOM 912 CD LYS A 60 37.715 12.883 1.381 1.00 0.00 C ATOM 913 CE LYS A 60 39.148 13.136 0.909 1.00 0.00 C ATOM 914 NZ LYS A 60 39.123 14.507 0.325 1.00 0.00 N ATOM 0 H LYS A 60 38.164 8.505 -0.227 1.00 0.00 H new ATOM 0 HA LYS A 60 36.064 9.222 0.512 1.00 0.00 H new ATOM 0 HB2 LYS A 60 37.291 11.615 -0.959 1.00 0.00 H new ATOM 0 HB3 LYS A 60 35.731 11.765 -0.175 1.00 0.00 H new ATOM 0 HG2 LYS A 60 36.719 11.065 2.000 1.00 0.00 H new ATOM 0 HG3 LYS A 60 38.273 10.798 1.235 1.00 0.00 H new ATOM 0 HD2 LYS A 60 37.020 13.505 0.817 1.00 0.00 H new ATOM 0 HD3 LYS A 60 37.612 13.160 2.430 1.00 0.00 H new ATOM 0 HE2 LYS A 60 39.854 13.072 1.737 1.00 0.00 H new ATOM 0 HE3 LYS A 60 39.457 12.397 0.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 40.072 14.754 -0.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 38.447 14.536 -0.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 38.832 15.190 1.054 1.00 0.00 H new ATOM 928 N GLY A 61 35.180 8.333 -1.964 1.00 0.00 N ATOM 929 CA GLY A 61 34.135 8.070 -2.998 1.00 0.00 C ATOM 930 C GLY A 61 32.779 7.877 -2.316 1.00 0.00 C ATOM 931 O GLY A 61 32.437 6.741 -2.030 1.00 0.00 O ATOM 932 OXT GLY A 61 32.105 8.868 -2.090 1.00 0.00 O ATOM 0 H GLY A 61 35.751 7.526 -1.713 1.00 0.00 H new ATOM 0 HA2 GLY A 61 34.086 8.902 -3.700 1.00 0.00 H new ATOM 0 HA3 GLY A 61 34.394 7.182 -3.574 1.00 0.00 H new TER 936 GLY A 61