USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 406 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 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 180:sc= -0.0677 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc=0.000189 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0.631 USER MOD Single : A 48 MET CE :methyl 172:sc= 0 (180deg=-0.0383) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 53 LYS NZ :NH3+ 163:sc= 1.27 (180deg=0.922) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.0891 USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -31:sc= 0.688 USER MOD Single : A 66 MET CE :methyl -122:sc= 0 (180deg=-0.401) USER MOD Single : A 72 ASN : amide:sc= 0.717 K(o=0.72,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 11.136 -5.815 6.858 1.00 0.00 N ATOM 2 CA GLY A 19 10.864 -4.533 7.547 1.00 0.00 C ATOM 3 C GLY A 19 10.189 -4.769 8.886 1.00 0.00 C ATOM 4 O GLY A 19 8.976 -4.961 8.942 1.00 0.00 O ATOM 0 HA2 GLY A 19 11.798 -3.991 7.697 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.229 -3.907 6.921 1.00 0.00 H new ATOM 10 N ASP A 20 10.959 -4.775 9.978 1.00 0.00 N ATOM 11 CA ASP A 20 10.500 -5.157 11.328 1.00 0.00 C ATOM 12 C ASP A 20 9.449 -4.216 11.961 1.00 0.00 C ATOM 13 O ASP A 20 8.709 -4.634 12.855 1.00 0.00 O ATOM 14 CB ASP A 20 11.722 -5.301 12.253 1.00 0.00 C ATOM 15 CG ASP A 20 12.404 -3.958 12.571 1.00 0.00 C ATOM 16 OD1 ASP A 20 13.145 -3.439 11.702 1.00 0.00 O ATOM 17 OD2 ASP A 20 12.205 -3.423 13.687 1.00 0.00 O ATOM 0 H ASP A 20 11.943 -4.509 9.953 1.00 0.00 H new ATOM 0 HA ASP A 20 9.978 -6.107 11.210 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.410 -5.772 13.185 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.447 -5.967 11.785 1.00 0.00 H new ATOM 22 N LYS A 21 9.359 -2.961 11.497 1.00 0.00 N ATOM 23 CA LYS A 21 8.471 -1.916 12.034 1.00 0.00 C ATOM 24 C LYS A 21 6.965 -2.160 11.813 1.00 0.00 C ATOM 25 O LYS A 21 6.151 -1.600 12.548 1.00 0.00 O ATOM 26 CB LYS A 21 8.921 -0.558 11.455 1.00 0.00 C ATOM 27 CG LYS A 21 8.589 0.649 12.348 1.00 0.00 C ATOM 28 CD LYS A 21 9.514 0.718 13.573 1.00 0.00 C ATOM 29 CE LYS A 21 9.122 1.903 14.464 1.00 0.00 C ATOM 30 NZ LYS A 21 10.013 2.016 15.649 1.00 0.00 N ATOM 0 H LYS A 21 9.921 -2.633 10.711 1.00 0.00 H new ATOM 0 HA LYS A 21 8.572 -1.931 13.119 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.998 -0.586 11.287 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.450 -0.416 10.482 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.682 1.568 11.769 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.552 0.584 12.678 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.449 -0.211 14.140 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.550 0.823 13.251 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.168 2.825 13.885 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.090 1.785 14.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.719 2.828 16.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.950 1.146 16.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.994 2.154 15.334 1.00 0.00 H new ATOM 44 N GLU A 22 6.579 -3.023 10.870 1.00 0.00 N ATOM 45 CA GLU A 22 5.194 -3.469 10.650 1.00 0.00 C ATOM 46 C GLU A 22 5.038 -4.972 10.939 1.00 0.00 C ATOM 47 O GLU A 22 5.627 -5.814 10.260 1.00 0.00 O ATOM 48 CB GLU A 22 4.721 -3.160 9.219 1.00 0.00 C ATOM 49 CG GLU A 22 4.619 -1.662 8.887 1.00 0.00 C ATOM 50 CD GLU A 22 5.858 -1.137 8.138 1.00 0.00 C ATOM 51 OE1 GLU A 22 6.125 -1.614 7.007 1.00 0.00 O ATOM 52 OE2 GLU A 22 6.539 -0.216 8.648 1.00 0.00 O ATOM 0 H GLU A 22 7.239 -3.446 10.217 1.00 0.00 H new ATOM 0 HA GLU A 22 4.568 -2.913 11.347 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.408 -3.629 8.514 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.745 -3.620 9.066 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.731 -1.488 8.280 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.490 -1.097 9.810 1.00 0.00 H new ATOM 59 N GLU A 23 4.234 -5.323 11.948 1.00 0.00 N ATOM 60 CA GLU A 23 3.926 -6.725 12.290 1.00 0.00 C ATOM 61 C GLU A 23 2.880 -7.380 11.359 1.00 0.00 C ATOM 62 O GLU A 23 2.775 -8.609 11.330 1.00 0.00 O ATOM 63 CB GLU A 23 3.453 -6.815 13.752 1.00 0.00 C ATOM 64 CG GLU A 23 4.566 -6.459 14.747 1.00 0.00 C ATOM 65 CD GLU A 23 4.107 -6.698 16.199 1.00 0.00 C ATOM 66 OE1 GLU A 23 3.499 -5.784 16.809 1.00 0.00 O ATOM 67 OE2 GLU A 23 4.359 -7.799 16.748 1.00 0.00 O ATOM 0 H GLU A 23 3.775 -4.644 12.555 1.00 0.00 H new ATOM 0 HA GLU A 23 4.852 -7.284 12.152 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.608 -6.143 13.900 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.097 -7.825 13.955 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.451 -7.060 14.538 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.852 -5.415 14.620 1.00 0.00 H new ATOM 74 N CYS A 24 2.114 -6.592 10.593 1.00 0.00 N ATOM 75 CA CYS A 24 1.158 -7.100 9.600 1.00 0.00 C ATOM 76 C CYS A 24 1.859 -7.616 8.320 1.00 0.00 C ATOM 77 O CYS A 24 2.971 -7.192 7.985 1.00 0.00 O ATOM 78 CB CYS A 24 0.109 -6.013 9.301 1.00 0.00 C ATOM 79 SG CYS A 24 0.591 -4.690 8.151 1.00 0.00 S ATOM 0 H CYS A 24 2.141 -5.574 10.646 1.00 0.00 H new ATOM 0 HA CYS A 24 0.648 -7.968 10.017 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.780 -6.501 8.901 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -0.179 -5.552 10.246 1.00 0.00 H new ATOM 84 N THR A 25 1.199 -8.513 7.577 1.00 0.00 N ATOM 85 CA THR A 25 1.725 -9.145 6.346 1.00 0.00 C ATOM 86 C THR A 25 0.599 -9.375 5.330 1.00 0.00 C ATOM 87 O THR A 25 -0.527 -9.706 5.708 1.00 0.00 O ATOM 88 CB THR A 25 2.408 -10.493 6.674 1.00 0.00 C ATOM 89 OG1 THR A 25 3.340 -10.361 7.731 1.00 0.00 O ATOM 90 CG2 THR A 25 3.192 -11.071 5.492 1.00 0.00 C ATOM 0 H THR A 25 0.260 -8.832 7.816 1.00 0.00 H new ATOM 0 HA THR A 25 2.462 -8.469 5.912 1.00 0.00 H new ATOM 0 HB THR A 25 1.585 -11.156 6.942 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.752 -11.231 7.914 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.648 -12.017 5.785 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.516 -11.239 4.654 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.971 -10.370 5.194 1.00 0.00 H new ATOM 98 N VAL A 26 0.888 -9.210 4.033 1.00 0.00 N ATOM 99 CA VAL A 26 -0.078 -9.423 2.935 1.00 0.00 C ATOM 100 C VAL A 26 -0.427 -10.923 2.799 1.00 0.00 C ATOM 101 O VAL A 26 0.487 -11.755 2.812 1.00 0.00 O ATOM 102 CB VAL A 26 0.460 -8.893 1.587 1.00 0.00 C ATOM 103 CG1 VAL A 26 -0.635 -8.789 0.523 1.00 0.00 C ATOM 104 CG2 VAL A 26 1.107 -7.504 1.717 1.00 0.00 C ATOM 0 H VAL A 26 1.810 -8.921 3.707 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.978 -8.863 3.187 1.00 0.00 H new ATOM 0 HB VAL A 26 1.209 -9.624 1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.206 -8.412 -0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.068 -9.774 0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.413 -8.107 0.867 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.468 -7.178 0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.369 -6.792 2.087 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.943 -7.556 2.415 1.00 0.00 H new ATOM 114 N PRO A 27 -1.715 -11.298 2.664 1.00 0.00 N ATOM 115 CA PRO A 27 -2.155 -12.673 2.415 1.00 0.00 C ATOM 116 C PRO A 27 -1.913 -13.109 0.950 1.00 0.00 C ATOM 117 O PRO A 27 -1.321 -12.379 0.150 1.00 0.00 O ATOM 118 CB PRO A 27 -3.643 -12.664 2.792 1.00 0.00 C ATOM 119 CG PRO A 27 -4.084 -11.267 2.370 1.00 0.00 C ATOM 120 CD PRO A 27 -2.865 -10.407 2.705 1.00 0.00 C ATOM 0 HA PRO A 27 -1.592 -13.401 2.999 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.199 -13.441 2.267 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.792 -12.831 3.859 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.329 -11.224 1.309 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.970 -10.941 2.915 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.753 -9.594 1.987 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.969 -9.951 3.690 1.00 0.00 H new ATOM 128 N ILE A 28 -2.367 -14.315 0.593 1.00 0.00 N ATOM 129 CA ILE A 28 -2.315 -14.868 -0.774 1.00 0.00 C ATOM 130 C ILE A 28 -3.074 -14.013 -1.814 1.00 0.00 C ATOM 131 O ILE A 28 -3.878 -13.139 -1.475 1.00 0.00 O ATOM 132 CB ILE A 28 -2.807 -16.338 -0.789 1.00 0.00 C ATOM 133 CG1 ILE A 28 -4.283 -16.473 -0.342 1.00 0.00 C ATOM 134 CG2 ILE A 28 -1.872 -17.215 0.066 1.00 0.00 C ATOM 135 CD1 ILE A 28 -4.870 -17.871 -0.577 1.00 0.00 C ATOM 0 H ILE A 28 -2.794 -14.955 1.263 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.268 -14.843 -1.077 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.772 -16.691 -1.820 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.357 -16.231 0.718 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.885 -15.740 -0.879 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.225 -18.246 0.050 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.861 -17.171 -0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.868 -16.849 1.093 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.906 -17.892 -0.240 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.829 -18.109 -1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.292 -18.607 -0.018 1.00 0.00 H new ATOM 147 N GLY A 29 -2.838 -14.282 -3.102 1.00 0.00 N ATOM 148 CA GLY A 29 -3.459 -13.602 -4.247 1.00 0.00 C ATOM 149 C GLY A 29 -2.676 -12.359 -4.682 1.00 0.00 C ATOM 150 O GLY A 29 -2.208 -12.284 -5.822 1.00 0.00 O ATOM 0 H GLY A 29 -2.182 -15.009 -3.389 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.528 -14.296 -5.085 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.477 -13.314 -3.987 1.00 0.00 H new ATOM 154 N TRP A 30 -2.516 -11.394 -3.773 1.00 0.00 N ATOM 155 CA TRP A 30 -1.638 -10.229 -3.932 1.00 0.00 C ATOM 156 C TRP A 30 -0.140 -10.583 -3.806 1.00 0.00 C ATOM 157 O TRP A 30 0.236 -11.743 -3.610 1.00 0.00 O ATOM 158 CB TRP A 30 -2.050 -9.146 -2.931 1.00 0.00 C ATOM 159 CG TRP A 30 -3.452 -8.646 -3.089 1.00 0.00 C ATOM 160 CD1 TRP A 30 -3.971 -8.049 -4.187 1.00 0.00 C ATOM 161 CD2 TRP A 30 -4.528 -8.693 -2.116 1.00 0.00 C ATOM 162 NE1 TRP A 30 -5.291 -7.706 -3.944 1.00 0.00 N ATOM 163 CE2 TRP A 30 -5.685 -8.079 -2.676 1.00 0.00 C ATOM 164 CE3 TRP A 30 -4.625 -9.201 -0.809 1.00 0.00 C ATOM 165 CZ2 TRP A 30 -6.887 -7.962 -1.961 1.00 0.00 C ATOM 166 CZ3 TRP A 30 -5.822 -9.084 -0.076 1.00 0.00 C ATOM 167 CH2 TRP A 30 -6.950 -8.467 -0.649 1.00 0.00 C ATOM 0 H TRP A 30 -3.008 -11.401 -2.879 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.761 -9.849 -4.946 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -1.931 -9.540 -1.922 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -1.366 -8.303 -3.027 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -3.439 -7.868 -5.109 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -5.896 -7.237 -4.618 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -3.771 -9.687 -0.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -7.749 -7.492 -2.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -5.875 -9.470 0.931 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -7.865 -8.381 -0.081 1.00 0.00 H new ATOM 178 N SER A 31 0.721 -9.567 -3.906 1.00 0.00 N ATOM 179 CA SER A 31 2.177 -9.649 -3.714 1.00 0.00 C ATOM 180 C SER A 31 2.657 -8.615 -2.686 1.00 0.00 C ATOM 181 O SER A 31 2.251 -7.451 -2.704 1.00 0.00 O ATOM 182 CB SER A 31 2.919 -9.509 -5.053 1.00 0.00 C ATOM 183 OG SER A 31 2.540 -8.347 -5.778 1.00 0.00 O ATOM 0 H SER A 31 0.412 -8.622 -4.133 1.00 0.00 H new ATOM 0 HA SER A 31 2.411 -10.636 -3.315 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.992 -9.480 -4.866 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.725 -10.391 -5.664 1.00 0.00 H new ATOM 0 HG SER A 31 3.043 -8.307 -6.618 1.00 0.00 H new ATOM 189 N GLU A 32 3.497 -9.052 -1.745 1.00 0.00 N ATOM 190 CA GLU A 32 4.093 -8.190 -0.715 1.00 0.00 C ATOM 191 C GLU A 32 5.225 -7.289 -1.272 1.00 0.00 C ATOM 192 O GLU A 32 5.886 -7.662 -2.249 1.00 0.00 O ATOM 193 CB GLU A 32 4.574 -9.058 0.467 1.00 0.00 C ATOM 194 CG GLU A 32 5.710 -10.034 0.124 1.00 0.00 C ATOM 195 CD GLU A 32 6.042 -10.937 1.328 1.00 0.00 C ATOM 196 OE1 GLU A 32 6.803 -10.508 2.230 1.00 0.00 O ATOM 197 OE2 GLU A 32 5.550 -12.092 1.378 1.00 0.00 O ATOM 0 H GLU A 32 3.788 -10.027 -1.674 1.00 0.00 H new ATOM 0 HA GLU A 32 3.324 -7.504 -0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.907 -8.401 1.271 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.727 -9.627 0.851 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.421 -10.649 -0.728 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.598 -9.475 -0.172 1.00 0.00 H new ATOM 204 N PRO A 33 5.476 -6.109 -0.667 1.00 0.00 N ATOM 205 CA PRO A 33 6.552 -5.202 -1.070 1.00 0.00 C ATOM 206 C PRO A 33 7.932 -5.708 -0.611 1.00 0.00 C ATOM 207 O PRO A 33 8.047 -6.642 0.187 1.00 0.00 O ATOM 208 CB PRO A 33 6.188 -3.850 -0.443 1.00 0.00 C ATOM 209 CG PRO A 33 5.446 -4.247 0.830 1.00 0.00 C ATOM 210 CD PRO A 33 4.712 -5.524 0.422 1.00 0.00 C ATOM 0 HA PRO A 33 6.636 -5.128 -2.154 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.075 -3.256 -0.224 1.00 0.00 H new ATOM 0 HB3 PRO A 33 5.561 -3.254 -1.106 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.133 -4.424 1.658 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.753 -3.469 1.151 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.641 -6.216 1.261 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.693 -5.301 0.105 1.00 0.00 H new ATOM 218 N VAL A 34 8.992 -5.068 -1.116 1.00 0.00 N ATOM 219 CA VAL A 34 10.396 -5.508 -0.959 1.00 0.00 C ATOM 220 C VAL A 34 11.312 -4.362 -0.502 1.00 0.00 C ATOM 221 O VAL A 34 12.392 -4.615 0.033 1.00 0.00 O ATOM 222 CB VAL A 34 10.911 -6.128 -2.284 1.00 0.00 C ATOM 223 CG1 VAL A 34 12.259 -6.847 -2.133 1.00 0.00 C ATOM 224 CG2 VAL A 34 9.936 -7.155 -2.884 1.00 0.00 C ATOM 0 H VAL A 34 8.903 -4.209 -1.659 1.00 0.00 H new ATOM 0 HA VAL A 34 10.420 -6.267 -0.177 1.00 0.00 H new ATOM 0 HB VAL A 34 11.014 -5.266 -2.943 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.562 -7.258 -3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.012 -6.139 -1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.161 -7.655 -1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.351 -7.554 -3.810 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.783 -7.969 -2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.982 -6.672 -3.093 1.00 0.00 H new ATOM 234 N LYS A 35 10.892 -3.097 -0.690 1.00 0.00 N ATOM 235 CA LYS A 35 11.623 -1.839 -0.425 1.00 0.00 C ATOM 236 C LYS A 35 13.001 -1.691 -1.110 1.00 0.00 C ATOM 237 O LYS A 35 13.666 -0.673 -0.925 1.00 0.00 O ATOM 238 CB LYS A 35 11.673 -1.612 1.098 1.00 0.00 C ATOM 239 CG LYS A 35 10.339 -1.107 1.675 1.00 0.00 C ATOM 240 CD LYS A 35 10.387 -0.913 3.201 1.00 0.00 C ATOM 241 CE LYS A 35 11.334 0.224 3.616 1.00 0.00 C ATOM 242 NZ LYS A 35 11.330 0.438 5.088 1.00 0.00 N ATOM 0 H LYS A 35 9.960 -2.911 -1.060 1.00 0.00 H new ATOM 0 HA LYS A 35 11.058 -1.040 -0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.945 -2.546 1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.458 -0.891 1.327 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.078 -0.161 1.201 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.549 -1.816 1.428 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.384 -0.700 3.569 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.709 -1.841 3.673 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.346 -0.008 3.285 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.038 1.145 3.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.981 1.213 5.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.369 0.684 5.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.637 -0.433 5.566 1.00 0.00 H new ATOM 256 N GLY A 36 13.422 -2.659 -1.930 1.00 0.00 N ATOM 257 CA GLY A 36 14.720 -2.696 -2.621 1.00 0.00 C ATOM 258 C GLY A 36 14.669 -2.454 -4.137 1.00 0.00 C ATOM 259 O GLY A 36 15.725 -2.328 -4.759 1.00 0.00 O ATOM 0 H GLY A 36 12.845 -3.473 -2.141 1.00 0.00 H new ATOM 0 HA2 GLY A 36 15.372 -1.946 -2.173 1.00 0.00 H new ATOM 0 HA3 GLY A 36 15.180 -3.668 -2.441 1.00 0.00 H new ATOM 263 N LEU A 37 13.475 -2.390 -4.746 1.00 0.00 N ATOM 264 CA LEU A 37 13.293 -2.102 -6.177 1.00 0.00 C ATOM 265 C LEU A 37 13.524 -0.609 -6.469 1.00 0.00 C ATOM 266 O LEU A 37 14.493 -0.250 -7.143 1.00 0.00 O ATOM 267 CB LEU A 37 11.912 -2.585 -6.669 1.00 0.00 C ATOM 268 CG LEU A 37 11.855 -4.074 -7.062 1.00 0.00 C ATOM 269 CD1 LEU A 37 11.850 -5.012 -5.853 1.00 0.00 C ATOM 270 CD2 LEU A 37 10.575 -4.349 -7.855 1.00 0.00 C ATOM 0 H LEU A 37 12.596 -2.539 -4.251 1.00 0.00 H new ATOM 0 HA LEU A 37 14.043 -2.660 -6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 37 11.177 -2.401 -5.885 1.00 0.00 H new ATOM 0 HB3 LEU A 37 11.617 -1.984 -7.529 1.00 0.00 H new ATOM 0 HG LEU A 37 12.752 -4.268 -7.651 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.809 -6.046 -6.195 1.00 0.00 H new ATOM 0 HD12 LEU A 37 12.758 -4.859 -5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.980 -4.800 -5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 37 10.538 -5.403 -8.131 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.708 -4.104 -7.242 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.567 -3.737 -8.757 1.00 0.00 H new ATOM 282 N CYS A 38 12.652 0.259 -5.953 1.00 0.00 N ATOM 283 CA CYS A 38 12.746 1.720 -6.060 1.00 0.00 C ATOM 284 C CYS A 38 12.367 2.428 -4.739 1.00 0.00 C ATOM 285 O CYS A 38 11.573 1.919 -3.943 1.00 0.00 O ATOM 286 CB CYS A 38 11.847 2.163 -7.227 1.00 0.00 C ATOM 287 SG CYS A 38 12.160 3.895 -7.684 1.00 0.00 S ATOM 0 H CYS A 38 11.831 -0.045 -5.430 1.00 0.00 H new ATOM 0 HA CYS A 38 13.779 2.008 -6.255 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.024 1.520 -8.089 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.800 2.042 -6.948 1.00 0.00 H new ATOM 0 HG CYS A 38 11.385 4.230 -8.672 1.00 0.00 H new ATOM 293 N LYS A 39 12.921 3.631 -4.528 1.00 0.00 N ATOM 294 CA LYS A 39 12.677 4.549 -3.400 1.00 0.00 C ATOM 295 C LYS A 39 12.513 5.984 -3.921 1.00 0.00 C ATOM 296 O LYS A 39 13.472 6.757 -3.966 1.00 0.00 O ATOM 297 CB LYS A 39 13.802 4.412 -2.354 1.00 0.00 C ATOM 298 CG LYS A 39 13.477 3.308 -1.332 1.00 0.00 C ATOM 299 CD LYS A 39 14.708 2.523 -0.883 1.00 0.00 C ATOM 300 CE LYS A 39 15.758 3.392 -0.182 1.00 0.00 C ATOM 301 NZ LYS A 39 16.923 2.578 0.256 1.00 0.00 N ATOM 0 H LYS A 39 13.599 4.017 -5.185 1.00 0.00 H new ATOM 0 HA LYS A 39 11.747 4.285 -2.897 1.00 0.00 H new ATOM 0 HB2 LYS A 39 14.743 4.183 -2.855 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.940 5.362 -1.837 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.003 3.758 -0.460 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.754 2.619 -1.769 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.396 1.726 -0.208 1.00 0.00 H new ATOM 0 HD3 LYS A 39 15.162 2.045 -1.751 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.094 4.178 -0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 39 15.310 3.884 0.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.618 3.192 0.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.604 1.844 0.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 17.363 2.129 -0.572 1.00 0.00 H new ATOM 315 N ALA A 40 11.296 6.321 -4.350 1.00 0.00 N ATOM 316 CA ALA A 40 10.907 7.643 -4.850 1.00 0.00 C ATOM 317 C ALA A 40 9.518 8.082 -4.341 1.00 0.00 C ATOM 318 O ALA A 40 8.799 7.321 -3.688 1.00 0.00 O ATOM 319 CB ALA A 40 10.976 7.631 -6.385 1.00 0.00 C ATOM 0 H ALA A 40 10.523 5.655 -4.360 1.00 0.00 H new ATOM 0 HA ALA A 40 11.606 8.384 -4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.689 8.610 -6.770 1.00 0.00 H new ATOM 0 HB2 ALA A 40 11.993 7.401 -6.702 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.295 6.874 -6.774 1.00 0.00 H new ATOM 325 N ARG A 41 9.136 9.328 -4.650 1.00 0.00 N ATOM 326 CA ARG A 41 7.906 9.993 -4.176 1.00 0.00 C ATOM 327 C ARG A 41 6.626 9.585 -4.924 1.00 0.00 C ATOM 328 O ARG A 41 5.530 10.000 -4.543 1.00 0.00 O ATOM 329 CB ARG A 41 8.111 11.523 -4.208 1.00 0.00 C ATOM 330 CG ARG A 41 9.171 12.014 -3.200 1.00 0.00 C ATOM 331 CD ARG A 41 10.619 12.081 -3.712 1.00 0.00 C ATOM 332 NE ARG A 41 10.794 13.105 -4.762 1.00 0.00 N ATOM 333 CZ ARG A 41 11.932 13.483 -5.321 1.00 0.00 C ATOM 334 NH1 ARG A 41 13.073 12.930 -5.016 1.00 0.00 N ATOM 335 NH2 ARG A 41 11.947 14.439 -6.204 1.00 0.00 N ATOM 0 H ARG A 41 9.693 9.927 -5.260 1.00 0.00 H new ATOM 0 HA ARG A 41 7.741 9.653 -3.153 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.408 11.823 -5.213 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.162 12.015 -3.996 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.883 13.008 -2.858 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.146 11.358 -2.330 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.287 12.300 -2.879 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.909 11.107 -4.106 1.00 0.00 H new ATOM 0 HE ARG A 41 9.948 13.570 -5.091 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.108 12.180 -4.326 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.931 13.248 -5.468 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.078 14.902 -6.469 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.828 14.725 -6.631 1.00 0.00 H new ATOM 349 N PHE A 42 6.752 8.781 -5.979 1.00 0.00 N ATOM 350 CA PHE A 42 5.675 8.447 -6.919 1.00 0.00 C ATOM 351 C PHE A 42 4.783 7.272 -6.472 1.00 0.00 C ATOM 352 O PHE A 42 3.690 7.086 -7.014 1.00 0.00 O ATOM 353 CB PHE A 42 6.310 8.163 -8.292 1.00 0.00 C ATOM 354 CG PHE A 42 7.399 9.144 -8.707 1.00 0.00 C ATOM 355 CD1 PHE A 42 7.195 10.534 -8.593 1.00 0.00 C ATOM 356 CD2 PHE A 42 8.643 8.664 -9.159 1.00 0.00 C ATOM 357 CE1 PHE A 42 8.220 11.433 -8.934 1.00 0.00 C ATOM 358 CE2 PHE A 42 9.670 9.562 -9.500 1.00 0.00 C ATOM 359 CZ PHE A 42 9.459 10.947 -9.388 1.00 0.00 C ATOM 0 H PHE A 42 7.635 8.327 -6.213 1.00 0.00 H new ATOM 0 HA PHE A 42 5.000 9.302 -6.964 1.00 0.00 H new ATOM 0 HB2 PHE A 42 6.731 7.158 -8.281 1.00 0.00 H new ATOM 0 HB3 PHE A 42 5.525 8.172 -9.048 1.00 0.00 H new ATOM 0 HD1 PHE A 42 6.246 10.910 -8.242 1.00 0.00 H new ATOM 0 HD2 PHE A 42 8.809 7.600 -9.244 1.00 0.00 H new ATOM 0 HE1 PHE A 42 8.056 12.497 -8.847 1.00 0.00 H new ATOM 0 HE2 PHE A 42 10.621 9.187 -9.848 1.00 0.00 H new ATOM 0 HZ PHE A 42 10.247 11.637 -9.650 1.00 0.00 H new ATOM 369 N THR A 43 5.224 6.476 -5.490 1.00 0.00 N ATOM 370 CA THR A 43 4.475 5.333 -4.930 1.00 0.00 C ATOM 371 C THR A 43 3.239 5.789 -4.135 1.00 0.00 C ATOM 372 O THR A 43 3.171 6.933 -3.673 1.00 0.00 O ATOM 373 CB THR A 43 5.392 4.470 -4.037 1.00 0.00 C ATOM 374 OG1 THR A 43 6.670 4.326 -4.628 1.00 0.00 O ATOM 375 CG2 THR A 43 4.852 3.051 -3.850 1.00 0.00 C ATOM 0 H THR A 43 6.134 6.608 -5.049 1.00 0.00 H new ATOM 0 HA THR A 43 4.125 4.733 -5.770 1.00 0.00 H new ATOM 0 HB THR A 43 5.440 4.986 -3.078 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.239 3.778 -4.048 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.532 2.484 -3.215 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.869 3.095 -3.381 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.770 2.562 -4.821 1.00 0.00 H new ATOM 383 N ARG A 44 2.259 4.893 -3.952 1.00 0.00 N ATOM 384 CA ARG A 44 0.966 5.159 -3.285 1.00 0.00 C ATOM 385 C ARG A 44 0.614 4.064 -2.262 1.00 0.00 C ATOM 386 O ARG A 44 1.261 3.014 -2.215 1.00 0.00 O ATOM 387 CB ARG A 44 -0.076 5.386 -4.403 1.00 0.00 C ATOM 388 CG ARG A 44 -1.505 5.722 -3.940 1.00 0.00 C ATOM 389 CD ARG A 44 -2.345 6.410 -5.026 1.00 0.00 C ATOM 390 NE ARG A 44 -2.709 5.506 -6.134 1.00 0.00 N ATOM 391 CZ ARG A 44 -3.480 5.794 -7.167 1.00 0.00 C ATOM 392 NH1 ARG A 44 -3.961 6.990 -7.362 1.00 0.00 N ATOM 393 NH2 ARG A 44 -3.798 4.882 -8.032 1.00 0.00 N ATOM 0 H ARG A 44 2.342 3.929 -4.273 1.00 0.00 H new ATOM 0 HA ARG A 44 1.001 6.058 -2.669 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.277 6.196 -5.041 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.118 4.489 -5.020 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.005 4.804 -3.630 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.454 6.369 -3.064 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.254 6.808 -4.576 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.789 7.258 -5.425 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.326 4.561 -6.098 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.745 7.740 -6.705 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.553 7.176 -8.171 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.452 3.929 -7.919 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.394 5.117 -8.825 1.00 0.00 H new ATOM 407 N TYR A 45 -0.361 4.345 -1.393 1.00 0.00 N ATOM 408 CA TYR A 45 -0.704 3.533 -0.217 1.00 0.00 C ATOM 409 C TYR A 45 -2.104 2.912 -0.351 1.00 0.00 C ATOM 410 O TYR A 45 -3.063 3.617 -0.680 1.00 0.00 O ATOM 411 CB TYR A 45 -0.631 4.386 1.067 1.00 0.00 C ATOM 412 CG TYR A 45 0.518 5.378 1.214 1.00 0.00 C ATOM 413 CD1 TYR A 45 1.813 5.100 0.727 1.00 0.00 C ATOM 414 CD2 TYR A 45 0.280 6.601 1.872 1.00 0.00 C ATOM 415 CE1 TYR A 45 2.855 6.034 0.889 1.00 0.00 C ATOM 416 CE2 TYR A 45 1.317 7.540 2.038 1.00 0.00 C ATOM 417 CZ TYR A 45 2.609 7.258 1.548 1.00 0.00 C ATOM 418 OH TYR A 45 3.609 8.168 1.717 1.00 0.00 O ATOM 0 H TYR A 45 -0.954 5.170 -1.490 1.00 0.00 H new ATOM 0 HA TYR A 45 0.023 2.723 -0.153 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.564 4.944 1.148 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.592 3.704 1.917 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.007 4.163 0.226 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.707 6.821 2.253 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.842 5.814 0.509 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.123 8.476 2.541 1.00 0.00 H new ATOM 0 HH TYR A 45 3.261 8.953 2.190 1.00 0.00 H new ATOM 428 N TYR A 46 -2.232 1.613 -0.057 1.00 0.00 N ATOM 429 CA TYR A 46 -3.489 0.845 -0.157 1.00 0.00 C ATOM 430 C TYR A 46 -3.716 -0.041 1.077 1.00 0.00 C ATOM 431 O TYR A 46 -2.775 -0.328 1.815 1.00 0.00 O ATOM 432 CB TYR A 46 -3.499 -0.014 -1.441 1.00 0.00 C ATOM 433 CG TYR A 46 -3.029 0.690 -2.704 1.00 0.00 C ATOM 434 CD1 TYR A 46 -3.666 1.871 -3.126 1.00 0.00 C ATOM 435 CD2 TYR A 46 -1.931 0.189 -3.434 1.00 0.00 C ATOM 436 CE1 TYR A 46 -3.186 2.571 -4.247 1.00 0.00 C ATOM 437 CE2 TYR A 46 -1.447 0.889 -4.557 1.00 0.00 C ATOM 438 CZ TYR A 46 -2.077 2.083 -4.966 1.00 0.00 C ATOM 439 OH TYR A 46 -1.628 2.769 -6.054 1.00 0.00 O ATOM 0 H TYR A 46 -1.447 1.048 0.266 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.307 1.564 -0.204 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.869 -0.888 -1.277 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.513 -0.379 -1.605 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.526 2.241 -2.588 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -1.460 -0.734 -3.131 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.669 3.486 -4.558 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.595 0.512 -5.104 1.00 0.00 H new ATOM 0 HH TYR A 46 -0.856 2.303 -6.439 1.00 0.00 H new ATOM 449 N CYS A 47 -4.951 -0.506 1.294 1.00 0.00 N ATOM 450 CA CYS A 47 -5.309 -1.456 2.355 1.00 0.00 C ATOM 451 C CYS A 47 -5.470 -2.876 1.787 1.00 0.00 C ATOM 452 O CYS A 47 -6.431 -3.154 1.064 1.00 0.00 O ATOM 453 CB CYS A 47 -6.584 -0.996 3.075 1.00 0.00 C ATOM 454 SG CYS A 47 -7.042 -2.092 4.449 1.00 0.00 S ATOM 0 H CYS A 47 -5.749 -0.226 0.724 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.499 -1.483 3.084 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -6.438 0.015 3.455 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.405 -0.953 2.360 1.00 0.00 H new ATOM 459 N MET A 48 -4.528 -3.773 2.097 1.00 0.00 N ATOM 460 CA MET A 48 -4.612 -5.195 1.713 1.00 0.00 C ATOM 461 C MET A 48 -5.651 -5.964 2.548 1.00 0.00 C ATOM 462 O MET A 48 -6.601 -6.531 2.006 1.00 0.00 O ATOM 463 CB MET A 48 -3.240 -5.875 1.837 1.00 0.00 C ATOM 464 CG MET A 48 -2.232 -5.372 0.802 1.00 0.00 C ATOM 465 SD MET A 48 -2.502 -5.891 -0.910 1.00 0.00 S ATOM 466 CE MET A 48 -0.880 -5.429 -1.582 1.00 0.00 C ATOM 0 H MET A 48 -3.685 -3.539 2.621 1.00 0.00 H new ATOM 0 HA MET A 48 -4.936 -5.220 0.672 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.843 -5.702 2.837 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.362 -6.952 1.724 1.00 0.00 H new ATOM 0 HG2 MET A 48 -2.229 -4.282 0.831 1.00 0.00 H new ATOM 0 HG3 MET A 48 -1.239 -5.702 1.105 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.790 -5.799 -2.603 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.781 -4.344 -1.579 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.093 -5.867 -0.967 1.00 0.00 H new ATOM 476 N GLY A 49 -5.464 -6.008 3.872 1.00 0.00 N ATOM 477 CA GLY A 49 -6.235 -6.862 4.786 1.00 0.00 C ATOM 478 C GLY A 49 -5.980 -6.518 6.252 1.00 0.00 C ATOM 479 O GLY A 49 -4.977 -6.943 6.825 1.00 0.00 O ATOM 0 H GLY A 49 -4.761 -5.442 4.348 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.298 -6.756 4.570 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.976 -7.906 4.610 1.00 0.00 H new ATOM 483 N ASN A 50 -6.870 -5.716 6.849 1.00 0.00 N ATOM 484 CA ASN A 50 -6.791 -5.169 8.216 1.00 0.00 C ATOM 485 C ASN A 50 -5.537 -4.304 8.504 1.00 0.00 C ATOM 486 O ASN A 50 -5.258 -3.970 9.657 1.00 0.00 O ATOM 487 CB ASN A 50 -6.988 -6.292 9.255 1.00 0.00 C ATOM 488 CG ASN A 50 -8.091 -7.284 8.921 1.00 0.00 C ATOM 489 OD1 ASN A 50 -9.275 -6.983 8.979 1.00 0.00 O ATOM 490 ND2 ASN A 50 -7.746 -8.502 8.568 1.00 0.00 N ATOM 0 H ASN A 50 -7.715 -5.412 6.366 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.614 -4.460 8.305 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.050 -6.836 9.363 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.207 -5.839 10.222 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.464 -9.191 8.344 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.760 -8.758 8.518 1.00 0.00 H new ATOM 497 N CYS A 51 -4.781 -3.938 7.467 1.00 0.00 N ATOM 498 CA CYS A 51 -3.569 -3.119 7.505 1.00 0.00 C ATOM 499 C CYS A 51 -3.429 -2.366 6.171 1.00 0.00 C ATOM 500 O CYS A 51 -3.795 -2.912 5.123 1.00 0.00 O ATOM 501 CB CYS A 51 -2.367 -4.058 7.724 1.00 0.00 C ATOM 502 SG CYS A 51 -0.863 -3.270 8.361 1.00 0.00 S ATOM 0 H CYS A 51 -5.015 -4.225 6.517 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.615 -2.388 8.313 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.665 -4.845 8.417 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.129 -4.541 6.776 1.00 0.00 H new ATOM 507 N CYS A 52 -2.861 -1.155 6.184 1.00 0.00 N ATOM 508 CA CYS A 52 -2.489 -0.434 4.964 1.00 0.00 C ATOM 509 C CYS A 52 -1.015 -0.014 4.950 1.00 0.00 C ATOM 510 O CYS A 52 -0.430 0.312 5.989 1.00 0.00 O ATOM 511 CB CYS A 52 -3.453 0.730 4.692 1.00 0.00 C ATOM 512 SG CYS A 52 -3.311 2.254 5.657 1.00 0.00 S ATOM 0 H CYS A 52 -2.646 -0.648 7.042 1.00 0.00 H new ATOM 0 HA CYS A 52 -2.592 -1.130 4.131 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.350 0.999 3.641 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.466 0.352 4.827 1.00 0.00 H new ATOM 517 N LYS A 53 -0.412 -0.068 3.758 1.00 0.00 N ATOM 518 CA LYS A 53 1.030 0.131 3.524 1.00 0.00 C ATOM 519 C LYS A 53 1.318 0.735 2.149 1.00 0.00 C ATOM 520 O LYS A 53 0.434 0.849 1.299 1.00 0.00 O ATOM 521 CB LYS A 53 1.758 -1.223 3.699 1.00 0.00 C ATOM 522 CG LYS A 53 2.607 -1.288 4.974 1.00 0.00 C ATOM 523 CD LYS A 53 3.152 -2.698 5.232 1.00 0.00 C ATOM 524 CE LYS A 53 4.241 -3.138 4.254 1.00 0.00 C ATOM 525 NZ LYS A 53 5.493 -2.348 4.416 1.00 0.00 N ATOM 0 H LYS A 53 -0.927 -0.257 2.898 1.00 0.00 H new ATOM 0 HA LYS A 53 1.402 0.848 4.256 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.021 -2.025 3.719 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.398 -1.399 2.834 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.438 -0.588 4.892 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.006 -0.970 5.826 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.551 -2.741 6.246 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.327 -3.409 5.183 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.458 -4.195 4.406 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.875 -3.031 3.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.281 -2.848 3.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.373 -1.413 3.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.701 -2.231 5.428 1.00 0.00 H new ATOM 539 N VAL A 54 2.579 1.114 1.948 1.00 0.00 N ATOM 540 CA VAL A 54 3.154 1.515 0.657 1.00 0.00 C ATOM 541 C VAL A 54 3.397 0.294 -0.240 1.00 0.00 C ATOM 542 O VAL A 54 4.007 -0.687 0.189 1.00 0.00 O ATOM 543 CB VAL A 54 4.423 2.365 0.891 1.00 0.00 C ATOM 544 CG1 VAL A 54 5.589 1.620 1.555 1.00 0.00 C ATOM 545 CG2 VAL A 54 4.926 2.991 -0.408 1.00 0.00 C ATOM 0 H VAL A 54 3.258 1.153 2.708 1.00 0.00 H new ATOM 0 HA VAL A 54 2.443 2.142 0.118 1.00 0.00 H new ATOM 0 HB VAL A 54 4.094 3.134 1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.433 2.299 1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.276 1.251 2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.888 0.780 0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.819 3.582 -0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.166 2.203 -1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.152 3.635 -0.825 1.00 0.00 H new ATOM 555 N TYR A 55 2.900 0.348 -1.480 1.00 0.00 N ATOM 556 CA TYR A 55 2.947 -0.759 -2.445 1.00 0.00 C ATOM 557 C TYR A 55 3.341 -0.266 -3.847 1.00 0.00 C ATOM 558 O TYR A 55 2.576 0.426 -4.523 1.00 0.00 O ATOM 559 CB TYR A 55 1.604 -1.507 -2.462 1.00 0.00 C ATOM 560 CG TYR A 55 1.196 -2.133 -1.135 1.00 0.00 C ATOM 561 CD1 TYR A 55 2.013 -3.104 -0.519 1.00 0.00 C ATOM 562 CD2 TYR A 55 -0.007 -1.751 -0.515 1.00 0.00 C ATOM 563 CE1 TYR A 55 1.628 -3.680 0.710 1.00 0.00 C ATOM 564 CE2 TYR A 55 -0.405 -2.350 0.696 1.00 0.00 C ATOM 565 CZ TYR A 55 0.411 -3.318 1.310 1.00 0.00 C ATOM 566 OH TYR A 55 0.035 -3.912 2.477 1.00 0.00 O ATOM 0 H TYR A 55 2.443 1.181 -1.851 1.00 0.00 H new ATOM 0 HA TYR A 55 3.720 -1.459 -2.128 1.00 0.00 H new ATOM 0 HB2 TYR A 55 0.823 -0.813 -2.774 1.00 0.00 H new ATOM 0 HB3 TYR A 55 1.653 -2.292 -3.217 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.936 -3.408 -0.990 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.629 -0.994 -0.970 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.271 -4.402 1.191 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.340 -2.065 1.155 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.830 -3.552 2.763 1.00 0.00 H new ATOM 576 N GLU A 56 4.561 -0.600 -4.271 1.00 0.00 N ATOM 577 CA GLU A 56 5.101 -0.285 -5.603 1.00 0.00 C ATOM 578 C GLU A 56 4.318 -0.994 -6.732 1.00 0.00 C ATOM 579 O GLU A 56 3.842 -2.122 -6.567 1.00 0.00 O ATOM 580 CB GLU A 56 6.586 -0.701 -5.656 1.00 0.00 C ATOM 581 CG GLU A 56 7.483 0.054 -4.665 1.00 0.00 C ATOM 582 CD GLU A 56 8.908 -0.532 -4.664 1.00 0.00 C ATOM 583 OE1 GLU A 56 9.686 -0.227 -5.599 1.00 0.00 O ATOM 584 OE2 GLU A 56 9.245 -1.314 -3.740 1.00 0.00 O ATOM 0 H GLU A 56 5.222 -1.111 -3.685 1.00 0.00 H new ATOM 0 HA GLU A 56 5.000 0.788 -5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.660 -1.770 -5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.962 -0.539 -6.666 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.519 1.110 -4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.058 -0.008 -3.663 1.00 0.00 H new ATOM 591 N GLY A 57 4.216 -0.355 -7.904 1.00 0.00 N ATOM 592 CA GLY A 57 3.516 -0.854 -9.097 1.00 0.00 C ATOM 593 C GLY A 57 2.212 -0.103 -9.414 1.00 0.00 C ATOM 594 O GLY A 57 1.806 0.810 -8.688 1.00 0.00 O ATOM 0 H GLY A 57 4.636 0.562 -8.054 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.184 -0.781 -9.955 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.290 -1.911 -8.958 1.00 0.00 H new ATOM 598 N CYS A 58 1.554 -0.478 -10.516 1.00 0.00 N ATOM 599 CA CYS A 58 0.267 0.101 -10.924 1.00 0.00 C ATOM 600 C CYS A 58 -0.887 -0.393 -10.032 1.00 0.00 C ATOM 601 O CYS A 58 -0.919 -1.555 -9.614 1.00 0.00 O ATOM 602 CB CYS A 58 -0.045 -0.254 -12.388 1.00 0.00 C ATOM 603 SG CYS A 58 1.272 0.317 -13.507 1.00 0.00 S ATOM 0 H CYS A 58 1.900 -1.195 -11.154 1.00 0.00 H new ATOM 0 HA CYS A 58 0.354 1.182 -10.816 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.164 -1.333 -12.485 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.993 0.198 -12.679 1.00 0.00 H new ATOM 0 HG CYS A 58 0.971 -0.004 -14.730 1.00 0.00 H new ATOM 609 N TYR A 59 -1.875 0.475 -9.807 1.00 0.00 N ATOM 610 CA TYR A 59 -3.152 0.157 -9.160 1.00 0.00 C ATOM 611 C TYR A 59 -4.211 1.164 -9.636 1.00 0.00 C ATOM 612 O TYR A 59 -4.028 2.372 -9.472 1.00 0.00 O ATOM 613 CB TYR A 59 -2.987 0.194 -7.627 1.00 0.00 C ATOM 614 CG TYR A 59 -3.734 -0.891 -6.872 1.00 0.00 C ATOM 615 CD1 TYR A 59 -5.140 -0.853 -6.791 1.00 0.00 C ATOM 616 CD2 TYR A 59 -3.022 -1.923 -6.225 1.00 0.00 C ATOM 617 CE1 TYR A 59 -5.838 -1.856 -6.090 1.00 0.00 C ATOM 618 CE2 TYR A 59 -3.715 -2.925 -5.519 1.00 0.00 C ATOM 619 CZ TYR A 59 -5.126 -2.899 -5.455 1.00 0.00 C ATOM 620 OH TYR A 59 -5.791 -3.876 -4.780 1.00 0.00 O ATOM 0 H TYR A 59 -1.806 1.455 -10.080 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.476 -0.848 -9.432 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.926 0.116 -7.389 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.324 1.165 -7.264 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.685 -0.052 -7.268 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.943 -1.944 -6.271 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.916 -1.828 -6.038 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.167 -3.714 -5.026 1.00 0.00 H new ATOM 0 HH TYR A 59 -5.146 -4.512 -4.406 1.00 0.00 H new ATOM 630 N THR A 60 -5.288 0.694 -10.273 1.00 0.00 N ATOM 631 CA THR A 60 -6.365 1.549 -10.823 1.00 0.00 C ATOM 632 C THR A 60 -7.016 2.443 -9.753 1.00 0.00 C ATOM 633 O THR A 60 -7.140 3.655 -9.949 1.00 0.00 O ATOM 634 CB THR A 60 -7.437 0.697 -11.528 1.00 0.00 C ATOM 635 OG1 THR A 60 -6.829 -0.180 -12.457 1.00 0.00 O ATOM 636 CG2 THR A 60 -8.460 1.534 -12.299 1.00 0.00 C ATOM 0 H THR A 60 -5.446 -0.302 -10.427 1.00 0.00 H new ATOM 0 HA THR A 60 -5.895 2.208 -11.553 1.00 0.00 H new ATOM 0 HB THR A 60 -7.953 0.155 -10.735 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.519 -0.718 -12.898 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.187 0.874 -12.772 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.973 2.206 -11.611 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.949 2.119 -13.064 1.00 0.00 H new ATOM 644 N GLY A 61 -7.405 1.864 -8.612 1.00 0.00 N ATOM 645 CA GLY A 61 -7.902 2.586 -7.431 1.00 0.00 C ATOM 646 C GLY A 61 -6.786 3.057 -6.485 1.00 0.00 C ATOM 647 O GLY A 61 -5.618 2.693 -6.642 1.00 0.00 O ATOM 0 H GLY A 61 -7.383 0.853 -8.479 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.478 3.451 -7.760 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.585 1.939 -6.880 1.00 0.00 H new ATOM 651 N GLY A 62 -7.149 3.849 -5.473 1.00 0.00 N ATOM 652 CA GLY A 62 -6.241 4.327 -4.427 1.00 0.00 C ATOM 653 C GLY A 62 -6.827 5.400 -3.504 1.00 0.00 C ATOM 654 O GLY A 62 -7.888 5.966 -3.779 1.00 0.00 O ATOM 0 H GLY A 62 -8.105 4.184 -5.355 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.930 3.477 -3.820 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.344 4.726 -4.900 1.00 0.00 H new ATOM 658 N TYR A 63 -6.097 5.701 -2.424 1.00 0.00 N ATOM 659 CA TYR A 63 -6.482 6.684 -1.397 1.00 0.00 C ATOM 660 C TYR A 63 -5.607 7.948 -1.364 1.00 0.00 C ATOM 661 O TYR A 63 -6.035 8.980 -0.849 1.00 0.00 O ATOM 662 CB TYR A 63 -6.420 6.012 -0.020 1.00 0.00 C ATOM 663 CG TYR A 63 -7.335 4.820 0.163 1.00 0.00 C ATOM 664 CD1 TYR A 63 -8.729 5.006 0.239 1.00 0.00 C ATOM 665 CD2 TYR A 63 -6.790 3.527 0.276 1.00 0.00 C ATOM 666 CE1 TYR A 63 -9.581 3.901 0.432 1.00 0.00 C ATOM 667 CE2 TYR A 63 -7.638 2.421 0.483 1.00 0.00 C ATOM 668 CZ TYR A 63 -9.035 2.605 0.560 1.00 0.00 C ATOM 669 OH TYR A 63 -9.846 1.529 0.751 1.00 0.00 O ATOM 0 H TYR A 63 -5.198 5.258 -2.232 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.489 7.012 -1.654 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -5.394 5.693 0.164 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -6.663 6.755 0.739 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.146 5.998 0.149 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.722 3.383 0.204 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.650 4.045 0.482 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.218 1.431 0.583 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.302 0.717 0.816 1.00 0.00 H new ATOM 679 N SER A 64 -4.375 7.872 -1.881 1.00 0.00 N ATOM 680 CA SER A 64 -3.292 8.879 -1.850 1.00 0.00 C ATOM 681 C SER A 64 -2.848 9.414 -0.471 1.00 0.00 C ATOM 682 O SER A 64 -1.865 10.156 -0.394 1.00 0.00 O ATOM 683 CB SER A 64 -3.587 10.011 -2.843 1.00 0.00 C ATOM 684 OG SER A 64 -4.554 10.926 -2.353 1.00 0.00 O ATOM 0 H SER A 64 -4.078 7.032 -2.377 1.00 0.00 H new ATOM 0 HA SER A 64 -2.410 8.320 -2.162 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.664 10.547 -3.063 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.939 9.584 -3.782 1.00 0.00 H new ATOM 0 HG SER A 64 -5.187 10.454 -1.773 1.00 0.00 H new ATOM 690 N ARG A 65 -3.511 9.017 0.627 1.00 0.00 N ATOM 691 CA ARG A 65 -3.250 9.449 2.013 1.00 0.00 C ATOM 692 C ARG A 65 -3.210 8.265 2.977 1.00 0.00 C ATOM 693 O ARG A 65 -4.071 7.385 2.940 1.00 0.00 O ATOM 694 CB ARG A 65 -4.332 10.458 2.457 1.00 0.00 C ATOM 695 CG ARG A 65 -4.280 11.798 1.712 1.00 0.00 C ATOM 696 CD ARG A 65 -3.116 12.672 2.195 1.00 0.00 C ATOM 697 NE ARG A 65 -3.517 13.565 3.300 1.00 0.00 N ATOM 698 CZ ARG A 65 -2.825 14.579 3.791 1.00 0.00 C ATOM 699 NH1 ARG A 65 -1.630 14.873 3.362 1.00 0.00 N ATOM 700 NH2 ARG A 65 -3.326 15.326 4.732 1.00 0.00 N ATOM 0 H ARG A 65 -4.283 8.353 0.571 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.270 9.926 2.037 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.315 10.010 2.309 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.224 10.644 3.526 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.178 11.616 0.642 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.220 12.331 1.857 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.296 12.034 2.524 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.742 13.269 1.364 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.423 13.380 3.730 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.201 14.314 2.625 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.124 15.663 3.763 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.259 15.131 5.096 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.786 16.106 5.106 1.00 0.00 H new ATOM 714 N MET A 66 -2.241 8.292 3.893 1.00 0.00 N ATOM 715 CA MET A 66 -2.076 7.298 4.963 1.00 0.00 C ATOM 716 C MET A 66 -3.260 7.306 5.948 1.00 0.00 C ATOM 717 O MET A 66 -3.670 6.255 6.442 1.00 0.00 O ATOM 718 CB MET A 66 -0.738 7.572 5.672 1.00 0.00 C ATOM 719 CG MET A 66 -0.342 6.495 6.691 1.00 0.00 C ATOM 720 SD MET A 66 -0.147 4.804 6.052 1.00 0.00 S ATOM 721 CE MET A 66 1.360 4.977 5.057 1.00 0.00 C ATOM 0 H MET A 66 -1.530 9.023 3.915 1.00 0.00 H new ATOM 0 HA MET A 66 -2.063 6.298 4.530 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.049 7.656 4.922 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.798 8.534 6.180 1.00 0.00 H new ATOM 0 HG2 MET A 66 0.597 6.794 7.156 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.096 6.477 7.478 1.00 0.00 H new ATOM 0 HE1 MET A 66 1.150 4.692 4.026 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.698 6.013 5.086 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.139 4.330 5.460 1.00 0.00 H new ATOM 731 N GLY A 67 -3.865 8.477 6.188 1.00 0.00 N ATOM 732 CA GLY A 67 -5.051 8.605 7.047 1.00 0.00 C ATOM 733 C GLY A 67 -6.303 7.975 6.430 1.00 0.00 C ATOM 734 O GLY A 67 -7.097 7.338 7.122 1.00 0.00 O ATOM 0 H GLY A 67 -3.547 9.362 5.793 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.849 8.134 8.009 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.240 9.661 7.242 1.00 0.00 H new ATOM 738 N GLU A 68 -6.467 8.115 5.112 1.00 0.00 N ATOM 739 CA GLU A 68 -7.555 7.493 4.350 1.00 0.00 C ATOM 740 C GLU A 68 -7.420 5.967 4.272 1.00 0.00 C ATOM 741 O GLU A 68 -8.396 5.266 4.541 1.00 0.00 O ATOM 742 CB GLU A 68 -7.640 8.094 2.940 1.00 0.00 C ATOM 743 CG GLU A 68 -8.208 9.518 2.912 1.00 0.00 C ATOM 744 CD GLU A 68 -9.640 9.586 3.478 1.00 0.00 C ATOM 745 OE1 GLU A 68 -10.532 8.853 2.982 1.00 0.00 O ATOM 746 OE2 GLU A 68 -9.868 10.358 4.439 1.00 0.00 O ATOM 0 H GLU A 68 -5.838 8.673 4.534 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.479 7.707 4.887 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.644 8.100 2.496 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.262 7.451 2.317 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.560 10.177 3.489 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.207 9.888 1.887 1.00 0.00 H new ATOM 753 N CYS A 69 -6.238 5.427 3.942 1.00 0.00 N ATOM 754 CA CYS A 69 -6.073 3.970 3.837 1.00 0.00 C ATOM 755 C CYS A 69 -6.323 3.245 5.170 1.00 0.00 C ATOM 756 O CYS A 69 -6.733 2.083 5.177 1.00 0.00 O ATOM 757 CB CYS A 69 -4.716 3.605 3.215 1.00 0.00 C ATOM 758 SG CYS A 69 -3.196 3.708 4.215 1.00 0.00 S ATOM 0 H CYS A 69 -5.395 5.967 3.746 1.00 0.00 H new ATOM 0 HA CYS A 69 -6.847 3.611 3.158 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -4.793 2.582 2.847 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.575 4.247 2.345 1.00 0.00 H new ATOM 763 N ALA A 70 -6.122 3.945 6.290 1.00 0.00 N ATOM 764 CA ALA A 70 -6.456 3.503 7.633 1.00 0.00 C ATOM 765 C ALA A 70 -7.970 3.594 7.894 1.00 0.00 C ATOM 766 O ALA A 70 -8.607 2.558 8.085 1.00 0.00 O ATOM 767 CB ALA A 70 -5.631 4.332 8.623 1.00 0.00 C ATOM 0 H ALA A 70 -5.703 4.875 6.277 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.205 2.450 7.760 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.863 4.020 9.641 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.569 4.179 8.430 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.873 5.388 8.503 1.00 0.00 H new ATOM 773 N ARG A 71 -8.573 4.798 7.894 1.00 0.00 N ATOM 774 CA ARG A 71 -9.979 4.996 8.314 1.00 0.00 C ATOM 775 C ARG A 71 -11.018 4.287 7.434 1.00 0.00 C ATOM 776 O ARG A 71 -12.089 3.933 7.928 1.00 0.00 O ATOM 777 CB ARG A 71 -10.298 6.494 8.478 1.00 0.00 C ATOM 778 CG ARG A 71 -10.590 7.227 7.157 1.00 0.00 C ATOM 779 CD ARG A 71 -10.883 8.720 7.358 1.00 0.00 C ATOM 780 NE ARG A 71 -9.672 9.491 7.699 1.00 0.00 N ATOM 781 CZ ARG A 71 -9.298 9.957 8.878 1.00 0.00 C ATOM 782 NH1 ARG A 71 -9.978 9.730 9.967 1.00 0.00 N ATOM 783 NH2 ARG A 71 -8.219 10.678 8.989 1.00 0.00 N ATOM 0 H ARG A 71 -8.105 5.657 7.605 1.00 0.00 H new ATOM 0 HA ARG A 71 -10.064 4.508 9.285 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -11.160 6.600 9.137 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.457 6.981 8.972 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.736 7.116 6.489 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -11.442 6.757 6.667 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -11.325 9.126 6.448 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.621 8.839 8.151 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.041 9.691 6.923 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.833 9.175 9.928 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.655 10.108 10.858 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.657 10.886 8.163 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.936 11.035 9.902 1.00 0.00 H new ATOM 797 N ASN A 72 -10.710 4.060 6.153 1.00 0.00 N ATOM 798 CA ASN A 72 -11.558 3.295 5.228 1.00 0.00 C ATOM 799 C ASN A 72 -11.433 1.761 5.410 1.00 0.00 C ATOM 800 O ASN A 72 -12.146 1.004 4.748 1.00 0.00 O ATOM 801 CB ASN A 72 -11.262 3.746 3.784 1.00 0.00 C ATOM 802 CG ASN A 72 -11.628 5.207 3.541 1.00 0.00 C ATOM 803 OD1 ASN A 72 -12.731 5.656 3.826 1.00 0.00 O ATOM 804 ND2 ASN A 72 -10.728 5.990 2.998 1.00 0.00 N ATOM 0 H ASN A 72 -9.853 4.407 5.722 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.600 3.512 5.461 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.203 3.600 3.571 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.817 3.116 3.089 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.948 6.969 2.815 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.808 5.620 2.759 1.00 0.00 H new ATOM 811 N CYS A 73 -10.570 1.299 6.323 1.00 0.00 N ATOM 812 CA CYS A 73 -10.357 -0.101 6.709 1.00 0.00 C ATOM 813 C CYS A 73 -10.578 -0.335 8.230 1.00 0.00 C ATOM 814 O CYS A 73 -10.743 0.628 8.987 1.00 0.00 O ATOM 815 CB CYS A 73 -8.948 -0.506 6.234 1.00 0.00 C ATOM 816 SG CYS A 73 -8.989 -1.646 4.823 1.00 0.00 S ATOM 0 H CYS A 73 -9.964 1.933 6.844 1.00 0.00 H new ATOM 0 HA CYS A 73 -11.098 -0.740 6.228 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -8.391 0.389 5.957 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -8.411 -0.974 7.059 1.00 0.00 H new ATOM 821 N PRO A 74 -10.609 -1.599 8.710 1.00 0.00 N ATOM 822 CA PRO A 74 -10.827 -1.913 10.130 1.00 0.00 C ATOM 823 C PRO A 74 -9.553 -1.818 11.000 1.00 0.00 C ATOM 824 O PRO A 74 -9.642 -1.923 12.227 1.00 0.00 O ATOM 825 CB PRO A 74 -11.389 -3.337 10.123 1.00 0.00 C ATOM 826 CG PRO A 74 -10.680 -3.978 8.935 1.00 0.00 C ATOM 827 CD PRO A 74 -10.561 -2.832 7.930 1.00 0.00 C ATOM 0 HA PRO A 74 -11.500 -1.185 10.583 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -11.172 -3.861 11.054 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.472 -3.343 9.998 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.702 -4.370 9.215 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.253 -4.811 8.528 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.629 -2.902 7.369 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.373 -2.865 7.204 1.00 0.00 H new ATOM 835 N GLY A 75 -8.377 -1.633 10.382 1.00 0.00 N ATOM 836 CA GLY A 75 -7.052 -1.542 11.024 1.00 0.00 C ATOM 837 C GLY A 75 -6.870 -0.314 11.920 1.00 0.00 C ATOM 838 O GLY A 75 -6.984 0.820 11.404 1.00 0.00 O ATOM 839 OXT GLY A 75 -6.577 -0.492 13.123 1.00 0.00 O ATOM 0 H GLY A 75 -8.319 -1.538 9.368 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.887 -2.440 11.620 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.286 -1.529 10.249 1.00 0.00 H new TER 843 GLY A 75