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 Set 1.1: A 10 THR OG1 : rot 120:sc= -1.58 USER MOD Set 1.2: A 44 ASN : amide:sc= -1.87 K(o=-3.5,f=-4.2!) USER MOD Set 2.1: A 38 TYR OH : rot 21:sc= -1.81 USER MOD Set 2.2: A 47 ASN : amide:sc= 0.359 K(o=-1.4,f=-2.2) USER MOD Set 3.1: A 1 GLU N :NH3+ -168:sc= 0.621 (180deg=0.528) USER MOD Set 3.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 20 ASN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 22 ASN : amide:sc= -1.02 K(o=-1,f=-2.4!) USER MOD Single : A 25 TYR OH : rot 151:sc= -0.888 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -1.67 K(o=-1.7,f=-2.6) USER MOD Single : A 28 SER OG : rot -24:sc= -0.958 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 39 SER OG : rot -110:sc= -0.133 USER MOD Single : A 46 ASN : amide:sc= -1.74 K(o=-1.7,f=-3.9) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 142:sc= -0.151 (180deg=-0.252) 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 49.104 14.114 10.122 1.00 0.00 N ATOM 2 CA GLU A 1 50.089 15.234 10.141 1.00 0.00 C ATOM 3 C GLU A 1 50.619 15.495 8.728 1.00 0.00 C ATOM 4 O GLU A 1 50.449 14.690 7.833 1.00 0.00 O ATOM 5 CB GLU A 1 51.215 14.754 11.056 1.00 0.00 C ATOM 6 CG GLU A 1 50.883 15.113 12.506 1.00 0.00 C ATOM 7 CD GLU A 1 51.987 14.587 13.427 1.00 0.00 C ATOM 8 OE1 GLU A 1 53.113 15.035 13.284 1.00 0.00 O ATOM 9 OE2 GLU A 1 51.686 13.746 14.258 1.00 0.00 O ATOM 0 H1 GLU A 1 48.603 14.077 11.033 1.00 0.00 H new ATOM 0 H2 GLU A 1 48.418 14.268 9.355 1.00 0.00 H new ATOM 0 H3 GLU A 1 49.603 13.215 9.965 1.00 0.00 H new ATOM 0 HA GLU A 1 49.648 16.167 10.492 1.00 0.00 H new ATOM 0 HB2 GLU A 1 51.343 13.676 10.957 1.00 0.00 H new ATOM 0 HB3 GLU A 1 52.158 15.216 10.763 1.00 0.00 H new ATOM 0 HG2 GLU A 1 50.790 16.194 12.612 1.00 0.00 H new ATOM 0 HG3 GLU A 1 49.923 14.681 12.788 1.00 0.00 H new ATOM 18 N PHE A 2 51.265 16.621 8.523 1.00 0.00 N ATOM 19 CA PHE A 2 51.819 16.957 7.168 1.00 0.00 C ATOM 20 C PHE A 2 50.723 16.869 6.097 1.00 0.00 C ATOM 21 O PHE A 2 50.401 15.801 5.612 1.00 0.00 O ATOM 22 CB PHE A 2 52.918 15.917 6.908 1.00 0.00 C ATOM 23 CG PHE A 2 54.161 16.603 6.390 1.00 0.00 C ATOM 24 CD1 PHE A 2 54.325 16.814 5.015 1.00 0.00 C ATOM 25 CD2 PHE A 2 55.151 17.026 7.286 1.00 0.00 C ATOM 26 CE1 PHE A 2 55.476 17.449 4.536 1.00 0.00 C ATOM 27 CE2 PHE A 2 56.303 17.661 6.806 1.00 0.00 C ATOM 28 CZ PHE A 2 56.466 17.873 5.432 1.00 0.00 C ATOM 0 H PHE A 2 51.434 17.326 9.240 1.00 0.00 H new ATOM 0 HA PHE A 2 52.209 17.974 7.131 1.00 0.00 H new ATOM 0 HB2 PHE A 2 53.146 15.378 7.827 1.00 0.00 H new ATOM 0 HB3 PHE A 2 52.570 15.180 6.184 1.00 0.00 H new ATOM 0 HD1 PHE A 2 53.562 16.486 4.324 1.00 0.00 H new ATOM 0 HD2 PHE A 2 55.026 16.863 8.346 1.00 0.00 H new ATOM 0 HE1 PHE A 2 55.601 17.612 3.476 1.00 0.00 H new ATOM 0 HE2 PHE A 2 57.066 17.988 7.497 1.00 0.00 H new ATOM 0 HZ PHE A 2 57.355 18.363 5.063 1.00 0.00 H new ATOM 38 N HIS A 3 50.148 17.989 5.725 1.00 0.00 N ATOM 39 CA HIS A 3 49.065 17.990 4.684 1.00 0.00 C ATOM 40 C HIS A 3 47.949 17.008 5.068 1.00 0.00 C ATOM 41 O HIS A 3 47.725 16.014 4.402 1.00 0.00 O ATOM 42 CB HIS A 3 49.748 17.551 3.384 1.00 0.00 C ATOM 43 CG HIS A 3 49.069 18.207 2.212 1.00 0.00 C ATOM 44 ND1 HIS A 3 47.706 18.091 1.986 1.00 0.00 N ATOM 45 CD2 HIS A 3 49.552 18.989 1.192 1.00 0.00 C ATOM 46 CE1 HIS A 3 47.420 18.785 0.870 1.00 0.00 C ATOM 47 NE2 HIS A 3 48.509 19.353 0.346 1.00 0.00 N ATOM 0 H HIS A 3 50.383 18.908 6.099 1.00 0.00 H new ATOM 0 HA HIS A 3 48.600 18.971 4.584 1.00 0.00 H new ATOM 0 HB2 HIS A 3 50.803 17.824 3.405 1.00 0.00 H new ATOM 0 HB3 HIS A 3 49.701 16.467 3.285 1.00 0.00 H new ATOM 0 HD2 HIS A 3 50.585 19.278 1.066 1.00 0.00 H new ATOM 0 HE1 HIS A 3 46.429 18.872 0.449 1.00 0.00 H new ATOM 0 HE2 HIS A 3 48.564 19.930 -0.494 1.00 0.00 H new ATOM 55 N GLY A 4 47.250 17.285 6.141 1.00 0.00 N ATOM 56 CA GLY A 4 46.149 16.378 6.581 1.00 0.00 C ATOM 57 C GLY A 4 46.742 15.186 7.353 1.00 0.00 C ATOM 58 O GLY A 4 47.843 15.282 7.859 1.00 0.00 O ATOM 0 H GLY A 4 47.396 18.103 6.732 1.00 0.00 H new ATOM 0 HA2 GLY A 4 45.447 16.921 7.214 1.00 0.00 H new ATOM 0 HA3 GLY A 4 45.589 16.022 5.716 1.00 0.00 H new ATOM 62 N PRO A 5 46.007 14.084 7.432 1.00 0.00 N ATOM 63 CA PRO A 5 46.516 12.896 8.160 1.00 0.00 C ATOM 64 C PRO A 5 47.812 12.392 7.519 1.00 0.00 C ATOM 65 O PRO A 5 48.440 13.090 6.745 1.00 0.00 O ATOM 66 CB PRO A 5 45.378 11.881 7.996 1.00 0.00 C ATOM 67 CG PRO A 5 44.246 12.531 7.179 1.00 0.00 C ATOM 68 CD PRO A 5 44.658 13.961 6.812 1.00 0.00 C ATOM 0 HA PRO A 5 46.761 13.091 9.204 1.00 0.00 H new ATOM 0 HB2 PRO A 5 45.741 10.985 7.492 1.00 0.00 H new ATOM 0 HB3 PRO A 5 45.007 11.569 8.972 1.00 0.00 H new ATOM 0 HG2 PRO A 5 44.051 11.951 6.277 1.00 0.00 H new ATOM 0 HG3 PRO A 5 43.322 12.541 7.757 1.00 0.00 H new ATOM 0 HD2 PRO A 5 44.694 14.107 5.732 1.00 0.00 H new ATOM 0 HD3 PRO A 5 43.961 14.698 7.211 1.00 0.00 H new ATOM 76 N SER A 6 48.217 11.188 7.838 1.00 0.00 N ATOM 77 CA SER A 6 49.476 10.641 7.249 1.00 0.00 C ATOM 78 C SER A 6 49.444 9.110 7.231 1.00 0.00 C ATOM 79 O SER A 6 50.448 8.458 7.450 1.00 0.00 O ATOM 80 CB SER A 6 50.589 11.143 8.166 1.00 0.00 C ATOM 81 OG SER A 6 50.296 10.772 9.506 1.00 0.00 O ATOM 0 H SER A 6 47.731 10.562 8.480 1.00 0.00 H new ATOM 0 HA SER A 6 49.618 10.961 6.217 1.00 0.00 H new ATOM 0 HB2 SER A 6 51.546 10.720 7.860 1.00 0.00 H new ATOM 0 HB3 SER A 6 50.679 12.226 8.088 1.00 0.00 H new ATOM 0 HG SER A 6 51.009 11.091 10.097 1.00 0.00 H new ATOM 87 N TRP A 7 48.300 8.537 6.963 1.00 0.00 N ATOM 88 CA TRP A 7 48.197 7.046 6.915 1.00 0.00 C ATOM 89 C TRP A 7 47.826 6.587 5.498 1.00 0.00 C ATOM 90 O TRP A 7 48.163 5.493 5.090 1.00 0.00 O ATOM 91 CB TRP A 7 47.110 6.665 7.934 1.00 0.00 C ATOM 92 CG TRP A 7 45.812 7.320 7.582 1.00 0.00 C ATOM 93 CD1 TRP A 7 45.431 8.557 7.976 1.00 0.00 C ATOM 94 CD2 TRP A 7 44.714 6.787 6.789 1.00 0.00 C ATOM 95 NE1 TRP A 7 44.177 8.825 7.458 1.00 0.00 N ATOM 96 CE2 TRP A 7 43.692 7.763 6.722 1.00 0.00 C ATOM 97 CE3 TRP A 7 44.511 5.565 6.122 1.00 0.00 C ATOM 98 CZ2 TRP A 7 42.510 7.535 6.017 1.00 0.00 C ATOM 99 CZ3 TRP A 7 43.321 5.332 5.414 1.00 0.00 C ATOM 100 CH2 TRP A 7 42.323 6.315 5.362 1.00 0.00 C ATOM 0 H TRP A 7 47.431 9.037 6.775 1.00 0.00 H new ATOM 0 HA TRP A 7 49.142 6.562 7.160 1.00 0.00 H new ATOM 0 HB2 TRP A 7 46.985 5.582 7.954 1.00 0.00 H new ATOM 0 HB3 TRP A 7 47.418 6.969 8.935 1.00 0.00 H new ATOM 0 HD1 TRP A 7 46.011 9.226 8.594 1.00 0.00 H new ATOM 0 HE1 TRP A 7 43.673 9.700 7.602 1.00 0.00 H new ATOM 0 HE3 TRP A 7 45.275 4.802 6.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 41.745 8.296 5.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 43.174 4.390 4.907 1.00 0.00 H new ATOM 0 HH2 TRP A 7 41.410 6.129 4.816 1.00 0.00 H new ATOM 111 N CYS A 8 47.156 7.423 4.737 1.00 0.00 N ATOM 112 CA CYS A 8 46.793 7.035 3.337 1.00 0.00 C ATOM 113 C CYS A 8 47.977 7.338 2.401 1.00 0.00 C ATOM 114 O CYS A 8 48.120 6.732 1.356 1.00 0.00 O ATOM 115 CB CYS A 8 45.569 7.895 2.968 1.00 0.00 C ATOM 116 SG CYS A 8 44.181 6.829 2.470 1.00 0.00 S ATOM 0 H CYS A 8 46.847 8.352 5.024 1.00 0.00 H new ATOM 0 HA CYS A 8 46.566 5.973 3.245 1.00 0.00 H new ATOM 0 HB2 CYS A 8 45.278 8.510 3.819 1.00 0.00 H new ATOM 0 HB3 CYS A 8 45.825 8.575 2.156 1.00 0.00 H new ATOM 121 N LEU A 9 48.828 8.266 2.775 1.00 0.00 N ATOM 122 CA LEU A 9 50.007 8.608 1.919 1.00 0.00 C ATOM 123 C LEU A 9 51.233 7.757 2.298 1.00 0.00 C ATOM 124 O LEU A 9 52.318 7.976 1.793 1.00 0.00 O ATOM 125 CB LEU A 9 50.287 10.085 2.207 1.00 0.00 C ATOM 126 CG LEU A 9 49.291 10.962 1.445 1.00 0.00 C ATOM 127 CD1 LEU A 9 49.337 12.385 2.003 1.00 0.00 C ATOM 128 CD2 LEU A 9 49.667 10.986 -0.039 1.00 0.00 C ATOM 0 H LEU A 9 48.755 8.802 3.640 1.00 0.00 H new ATOM 0 HA LEU A 9 49.807 8.416 0.865 1.00 0.00 H new ATOM 0 HB2 LEU A 9 50.209 10.277 3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 9 51.306 10.335 1.911 1.00 0.00 H new ATOM 0 HG LEU A 9 48.286 10.557 1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 9 48.628 13.011 1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 9 49.074 12.370 3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 9 50.342 12.790 1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 9 48.959 11.610 -0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 9 50.672 11.393 -0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 9 49.639 9.972 -0.438 1.00 0.00 H new ATOM 140 N THR A 10 51.080 6.797 3.186 1.00 0.00 N ATOM 141 CA THR A 10 52.251 5.953 3.590 1.00 0.00 C ATOM 142 C THR A 10 52.540 4.875 2.519 1.00 0.00 C ATOM 143 O THR A 10 51.629 4.448 1.840 1.00 0.00 O ATOM 144 CB THR A 10 51.837 5.307 4.925 1.00 0.00 C ATOM 145 OG1 THR A 10 52.931 4.574 5.455 1.00 0.00 O ATOM 146 CG2 THR A 10 50.649 4.362 4.719 1.00 0.00 C ATOM 0 H THR A 10 50.199 6.564 3.645 1.00 0.00 H new ATOM 0 HA THR A 10 53.165 6.539 3.690 1.00 0.00 H new ATOM 0 HB THR A 10 51.545 6.095 5.619 1.00 0.00 H new ATOM 0 HG1 THR A 10 53.173 4.937 6.332 1.00 0.00 H new ATOM 0 HG21 THR A 10 50.370 3.915 5.673 1.00 0.00 H new ATOM 0 HG22 THR A 10 49.803 4.922 4.320 1.00 0.00 H new ATOM 0 HG23 THR A 10 50.927 3.576 4.017 1.00 0.00 H new ATOM 154 N PRO A 11 53.793 4.454 2.391 1.00 0.00 N ATOM 155 CA PRO A 11 54.129 3.417 1.384 1.00 0.00 C ATOM 156 C PRO A 11 53.415 2.100 1.714 1.00 0.00 C ATOM 157 O PRO A 11 52.600 2.035 2.614 1.00 0.00 O ATOM 158 CB PRO A 11 55.648 3.274 1.532 1.00 0.00 C ATOM 159 CG PRO A 11 56.135 4.239 2.629 1.00 0.00 C ATOM 160 CD PRO A 11 54.923 4.972 3.216 1.00 0.00 C ATOM 0 HA PRO A 11 53.823 3.676 0.370 1.00 0.00 H new ATOM 0 HB2 PRO A 11 55.907 2.247 1.791 1.00 0.00 H new ATOM 0 HB3 PRO A 11 56.142 3.498 0.586 1.00 0.00 H new ATOM 0 HG2 PRO A 11 56.658 3.688 3.411 1.00 0.00 H new ATOM 0 HG3 PRO A 11 56.844 4.955 2.214 1.00 0.00 H new ATOM 0 HD2 PRO A 11 54.788 4.747 4.274 1.00 0.00 H new ATOM 0 HD3 PRO A 11 55.024 6.054 3.130 1.00 0.00 H new ATOM 168 N ALA A 12 53.720 1.054 0.988 1.00 0.00 N ATOM 169 CA ALA A 12 53.068 -0.266 1.249 1.00 0.00 C ATOM 170 C ALA A 12 53.878 -1.063 2.274 1.00 0.00 C ATOM 171 O ALA A 12 55.043 -1.349 2.069 1.00 0.00 O ATOM 172 CB ALA A 12 53.063 -0.980 -0.104 1.00 0.00 C ATOM 0 H ALA A 12 54.395 1.057 0.223 1.00 0.00 H new ATOM 0 HA ALA A 12 52.063 -0.157 1.656 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.599 -1.960 0.004 1.00 0.00 H new ATOM 0 HB2 ALA A 12 52.499 -0.389 -0.825 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.088 -1.100 -0.456 1.00 0.00 H new ATOM 178 N ASP A 13 53.268 -1.427 3.375 1.00 0.00 N ATOM 179 CA ASP A 13 54.000 -2.209 4.419 1.00 0.00 C ATOM 180 C ASP A 13 54.187 -3.658 3.957 1.00 0.00 C ATOM 181 O ASP A 13 53.232 -4.363 3.689 1.00 0.00 O ATOM 182 CB ASP A 13 53.115 -2.149 5.666 1.00 0.00 C ATOM 183 CG ASP A 13 53.996 -2.022 6.911 1.00 0.00 C ATOM 184 OD1 ASP A 13 54.950 -2.775 7.018 1.00 0.00 O ATOM 185 OD2 ASP A 13 53.701 -1.173 7.738 1.00 0.00 O ATOM 0 H ASP A 13 52.295 -1.216 3.596 1.00 0.00 H new ATOM 0 HA ASP A 13 54.994 -1.806 4.613 1.00 0.00 H new ATOM 0 HB2 ASP A 13 52.434 -1.300 5.601 1.00 0.00 H new ATOM 0 HB3 ASP A 13 52.500 -3.047 5.732 1.00 0.00 H new ATOM 190 N ARG A 14 55.414 -4.098 3.861 1.00 0.00 N ATOM 191 CA ARG A 14 55.690 -5.498 3.415 1.00 0.00 C ATOM 192 C ARG A 14 56.855 -6.084 4.232 1.00 0.00 C ATOM 193 O ARG A 14 57.927 -6.323 3.705 1.00 0.00 O ATOM 194 CB ARG A 14 56.097 -5.363 1.945 1.00 0.00 C ATOM 195 CG ARG A 14 54.875 -5.550 1.050 1.00 0.00 C ATOM 196 CD ARG A 14 55.331 -5.700 -0.403 1.00 0.00 C ATOM 197 NE ARG A 14 55.394 -4.307 -0.929 1.00 0.00 N ATOM 198 CZ ARG A 14 56.410 -3.928 -1.654 1.00 0.00 C ATOM 199 NH1 ARG A 14 57.614 -3.942 -1.149 1.00 0.00 N ATOM 200 NH2 ARG A 14 56.222 -3.530 -2.884 1.00 0.00 N ATOM 0 H ARG A 14 56.244 -3.544 4.074 1.00 0.00 H new ATOM 0 HA ARG A 14 54.832 -6.157 3.549 1.00 0.00 H new ATOM 0 HB2 ARG A 14 56.541 -4.383 1.770 1.00 0.00 H new ATOM 0 HB3 ARG A 14 56.856 -6.105 1.699 1.00 0.00 H new ATOM 0 HG2 ARG A 14 54.314 -6.432 1.360 1.00 0.00 H new ATOM 0 HG3 ARG A 14 54.205 -4.696 1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 14 56.303 -6.190 -0.464 1.00 0.00 H new ATOM 0 HD3 ARG A 14 54.631 -6.308 -0.976 1.00 0.00 H new ATOM 0 HE ARG A 14 54.642 -3.650 -0.722 1.00 0.00 H new ATOM 0 HH11 ARG A 14 57.760 -4.249 -0.187 1.00 0.00 H new ATOM 0 HH12 ARG A 14 58.408 -3.646 -1.716 1.00 0.00 H new ATOM 0 HH21 ARG A 14 55.281 -3.516 -3.277 1.00 0.00 H new ATOM 0 HH22 ARG A 14 57.016 -3.234 -3.451 1.00 0.00 H new ATOM 214 N GLY A 15 56.669 -6.300 5.516 1.00 0.00 N ATOM 215 CA GLY A 15 57.791 -6.849 6.343 1.00 0.00 C ATOM 216 C GLY A 15 57.271 -7.808 7.416 1.00 0.00 C ATOM 217 O GLY A 15 57.683 -8.951 7.481 1.00 0.00 O ATOM 0 H GLY A 15 55.800 -6.122 6.020 1.00 0.00 H new ATOM 0 HA2 GLY A 15 58.500 -7.370 5.699 1.00 0.00 H new ATOM 0 HA3 GLY A 15 58.332 -6.030 6.816 1.00 0.00 H new ATOM 221 N LEU A 16 56.386 -7.355 8.272 1.00 0.00 N ATOM 222 CA LEU A 16 55.857 -8.246 9.361 1.00 0.00 C ATOM 223 C LEU A 16 55.361 -9.581 8.788 1.00 0.00 C ATOM 224 O LEU A 16 54.679 -9.624 7.785 1.00 0.00 O ATOM 225 CB LEU A 16 54.706 -7.466 10.000 1.00 0.00 C ATOM 226 CG LEU A 16 55.256 -6.597 11.136 1.00 0.00 C ATOM 227 CD1 LEU A 16 54.367 -5.367 11.321 1.00 0.00 C ATOM 228 CD2 LEU A 16 55.275 -7.407 12.435 1.00 0.00 C ATOM 0 H LEU A 16 56.006 -6.409 8.266 1.00 0.00 H new ATOM 0 HA LEU A 16 56.630 -8.495 10.088 1.00 0.00 H new ATOM 0 HB2 LEU A 16 54.215 -6.842 9.253 1.00 0.00 H new ATOM 0 HB3 LEU A 16 53.953 -8.154 10.384 1.00 0.00 H new ATOM 0 HG LEU A 16 56.268 -6.279 10.887 1.00 0.00 H new ATOM 0 HD11 LEU A 16 54.761 -4.751 12.130 1.00 0.00 H new ATOM 0 HD12 LEU A 16 54.351 -4.787 10.398 1.00 0.00 H new ATOM 0 HD13 LEU A 16 53.354 -5.684 11.567 1.00 0.00 H new ATOM 0 HD21 LEU A 16 55.666 -6.789 13.243 1.00 0.00 H new ATOM 0 HD22 LEU A 16 54.262 -7.726 12.680 1.00 0.00 H new ATOM 0 HD23 LEU A 16 55.911 -8.283 12.308 1.00 0.00 H new ATOM 240 N CYS A 17 55.717 -10.673 9.423 1.00 0.00 N ATOM 241 CA CYS A 17 55.298 -12.026 8.937 1.00 0.00 C ATOM 242 C CYS A 17 55.713 -12.217 7.472 1.00 0.00 C ATOM 243 O CYS A 17 56.310 -11.338 6.876 1.00 0.00 O ATOM 244 CB CYS A 17 53.780 -12.060 9.111 1.00 0.00 C ATOM 245 SG CYS A 17 53.405 -12.356 10.858 1.00 0.00 S ATOM 0 H CYS A 17 56.288 -10.684 10.268 1.00 0.00 H new ATOM 0 HA CYS A 17 55.773 -12.837 9.490 1.00 0.00 H new ATOM 0 HB2 CYS A 17 53.341 -11.118 8.784 1.00 0.00 H new ATOM 0 HB3 CYS A 17 53.346 -12.846 8.493 1.00 0.00 H new ATOM 250 N ARG A 18 55.427 -13.358 6.892 1.00 0.00 N ATOM 251 CA ARG A 18 55.829 -13.596 5.472 1.00 0.00 C ATOM 252 C ARG A 18 54.800 -14.468 4.748 1.00 0.00 C ATOM 253 O ARG A 18 54.411 -15.517 5.224 1.00 0.00 O ATOM 254 CB ARG A 18 57.171 -14.323 5.566 1.00 0.00 C ATOM 255 CG ARG A 18 58.044 -13.943 4.368 1.00 0.00 C ATOM 256 CD ARG A 18 59.508 -14.307 4.656 1.00 0.00 C ATOM 257 NE ARG A 18 60.211 -13.001 4.805 1.00 0.00 N ATOM 258 CZ ARG A 18 60.490 -12.287 3.749 1.00 0.00 C ATOM 259 NH1 ARG A 18 61.333 -12.737 2.860 1.00 0.00 N ATOM 260 NH2 ARG A 18 59.926 -11.123 3.580 1.00 0.00 N ATOM 0 H ARG A 18 54.935 -14.131 7.339 1.00 0.00 H new ATOM 0 HA ARG A 18 55.896 -12.666 4.907 1.00 0.00 H new ATOM 0 HB2 ARG A 18 57.675 -14.058 6.495 1.00 0.00 H new ATOM 0 HB3 ARG A 18 57.012 -15.401 5.586 1.00 0.00 H new ATOM 0 HG2 ARG A 18 57.699 -14.464 3.475 1.00 0.00 H new ATOM 0 HG3 ARG A 18 57.958 -12.875 4.167 1.00 0.00 H new ATOM 0 HD2 ARG A 18 59.594 -14.907 5.562 1.00 0.00 H new ATOM 0 HD3 ARG A 18 59.935 -14.894 3.843 1.00 0.00 H new ATOM 0 HE ARG A 18 60.474 -12.666 5.732 1.00 0.00 H new ATOM 0 HH11 ARG A 18 61.774 -13.647 2.990 1.00 0.00 H new ATOM 0 HH12 ARG A 18 61.551 -12.178 2.035 1.00 0.00 H new ATOM 0 HH21 ARG A 18 59.266 -10.770 4.274 1.00 0.00 H new ATOM 0 HH22 ARG A 18 60.145 -10.565 2.754 1.00 0.00 H new ATOM 274 N ALA A 19 54.365 -14.036 3.592 1.00 0.00 N ATOM 275 CA ALA A 19 53.364 -14.819 2.803 1.00 0.00 C ATOM 276 C ALA A 19 53.151 -14.148 1.444 1.00 0.00 C ATOM 277 O ALA A 19 53.280 -12.946 1.312 1.00 0.00 O ATOM 278 CB ALA A 19 52.072 -14.795 3.626 1.00 0.00 C ATOM 0 H ALA A 19 54.664 -13.164 3.155 1.00 0.00 H new ATOM 0 HA ALA A 19 53.692 -15.842 2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 19 51.296 -15.353 3.102 1.00 0.00 H new ATOM 0 HB2 ALA A 19 52.252 -15.251 4.599 1.00 0.00 H new ATOM 0 HB3 ALA A 19 51.747 -13.764 3.763 1.00 0.00 H new ATOM 284 N ASN A 20 52.837 -14.917 0.434 1.00 0.00 N ATOM 285 CA ASN A 20 52.625 -14.327 -0.920 1.00 0.00 C ATOM 286 C ASN A 20 51.158 -13.927 -1.113 1.00 0.00 C ATOM 287 O ASN A 20 50.476 -14.433 -1.984 1.00 0.00 O ATOM 288 CB ASN A 20 53.019 -15.438 -1.895 1.00 0.00 C ATOM 289 CG ASN A 20 54.482 -15.262 -2.307 1.00 0.00 C ATOM 290 OD1 ASN A 20 54.809 -15.334 -3.476 1.00 0.00 O ATOM 291 ND2 ASN A 20 55.383 -15.034 -1.391 1.00 0.00 N ATOM 0 H ASN A 20 52.718 -15.929 0.489 1.00 0.00 H new ATOM 0 HA ASN A 20 53.212 -13.421 -1.072 1.00 0.00 H new ATOM 0 HB2 ASN A 20 52.876 -16.413 -1.429 1.00 0.00 H new ATOM 0 HB3 ASN A 20 52.376 -15.409 -2.775 1.00 0.00 H new ATOM 0 HD21 ASN A 20 56.361 -14.916 -1.656 1.00 0.00 H new ATOM 0 HD22 ASN A 20 55.109 -14.973 -0.410 1.00 0.00 H new ATOM 298 N GLU A 21 50.670 -13.012 -0.309 1.00 0.00 N ATOM 299 CA GLU A 21 49.249 -12.564 -0.449 1.00 0.00 C ATOM 300 C GLU A 21 49.183 -11.390 -1.433 1.00 0.00 C ATOM 301 O GLU A 21 50.073 -11.221 -2.244 1.00 0.00 O ATOM 302 CB GLU A 21 48.833 -12.140 0.966 1.00 0.00 C ATOM 303 CG GLU A 21 47.961 -13.233 1.593 1.00 0.00 C ATOM 304 CD GLU A 21 47.106 -12.630 2.708 1.00 0.00 C ATOM 305 OE1 GLU A 21 46.482 -11.610 2.464 1.00 0.00 O ATOM 306 OE2 GLU A 21 47.088 -13.200 3.787 1.00 0.00 O ATOM 0 H GLU A 21 51.195 -12.557 0.438 1.00 0.00 H new ATOM 0 HA GLU A 21 48.587 -13.338 -0.838 1.00 0.00 H new ATOM 0 HB2 GLU A 21 49.717 -11.969 1.580 1.00 0.00 H new ATOM 0 HB3 GLU A 21 48.284 -11.199 0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 21 47.322 -13.683 0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 21 48.589 -14.029 1.993 1.00 0.00 H new ATOM 313 N ASN A 22 48.146 -10.584 -1.386 1.00 0.00 N ATOM 314 CA ASN A 22 48.056 -9.433 -2.339 1.00 0.00 C ATOM 315 C ASN A 22 47.064 -8.374 -1.837 1.00 0.00 C ATOM 316 O ASN A 22 45.895 -8.402 -2.174 1.00 0.00 O ATOM 317 CB ASN A 22 47.566 -10.048 -3.654 1.00 0.00 C ATOM 318 CG ASN A 22 48.324 -9.426 -4.829 1.00 0.00 C ATOM 319 OD1 ASN A 22 48.627 -8.249 -4.819 1.00 0.00 O ATOM 320 ND2 ASN A 22 48.645 -10.173 -5.850 1.00 0.00 N ATOM 0 H ASN A 22 47.366 -10.673 -0.735 1.00 0.00 H new ATOM 0 HA ASN A 22 49.014 -8.925 -2.450 1.00 0.00 H new ATOM 0 HB2 ASN A 22 47.719 -11.127 -3.641 1.00 0.00 H new ATOM 0 HB3 ASN A 22 46.495 -9.879 -3.769 1.00 0.00 H new ATOM 0 HD21 ASN A 22 49.150 -9.769 -6.639 1.00 0.00 H new ATOM 0 HD22 ASN A 22 48.391 -11.161 -5.859 1.00 0.00 H new ATOM 327 N ARG A 23 47.526 -7.437 -1.046 1.00 0.00 N ATOM 328 CA ARG A 23 46.614 -6.364 -0.533 1.00 0.00 C ATOM 329 C ARG A 23 46.625 -5.163 -1.487 1.00 0.00 C ATOM 330 O ARG A 23 47.565 -4.967 -2.234 1.00 0.00 O ATOM 331 CB ARG A 23 47.171 -5.975 0.836 1.00 0.00 C ATOM 332 CG ARG A 23 46.663 -6.961 1.892 1.00 0.00 C ATOM 333 CD ARG A 23 45.154 -6.781 2.086 1.00 0.00 C ATOM 334 NE ARG A 23 44.824 -7.591 3.293 1.00 0.00 N ATOM 335 CZ ARG A 23 43.743 -7.333 3.977 1.00 0.00 C ATOM 336 NH1 ARG A 23 43.466 -6.105 4.323 1.00 0.00 N ATOM 337 NH2 ARG A 23 42.939 -8.303 4.318 1.00 0.00 N ATOM 0 H ARG A 23 48.494 -7.368 -0.733 1.00 0.00 H new ATOM 0 HA ARG A 23 45.581 -6.703 -0.461 1.00 0.00 H new ATOM 0 HB2 ARG A 23 48.261 -5.980 0.812 1.00 0.00 H new ATOM 0 HB3 ARG A 23 46.863 -4.961 1.091 1.00 0.00 H new ATOM 0 HG2 ARG A 23 46.880 -7.983 1.582 1.00 0.00 H new ATOM 0 HG3 ARG A 23 47.183 -6.797 2.836 1.00 0.00 H new ATOM 0 HD2 ARG A 23 44.897 -5.732 2.232 1.00 0.00 H new ATOM 0 HD3 ARG A 23 44.599 -7.127 1.214 1.00 0.00 H new ATOM 0 HE ARG A 23 45.443 -8.347 3.584 1.00 0.00 H new ATOM 0 HH11 ARG A 23 44.095 -5.347 4.059 1.00 0.00 H new ATOM 0 HH12 ARG A 23 42.621 -5.904 4.858 1.00 0.00 H new ATOM 0 HH21 ARG A 23 43.156 -9.263 4.050 1.00 0.00 H new ATOM 0 HH22 ARG A 23 42.094 -8.101 4.853 1.00 0.00 H new ATOM 351 N PHE A 24 45.583 -4.368 -1.475 1.00 0.00 N ATOM 352 CA PHE A 24 45.519 -3.186 -2.392 1.00 0.00 C ATOM 353 C PHE A 24 46.107 -1.930 -1.731 1.00 0.00 C ATOM 354 O PHE A 24 45.501 -1.334 -0.861 1.00 0.00 O ATOM 355 CB PHE A 24 44.027 -2.994 -2.672 1.00 0.00 C ATOM 356 CG PHE A 24 43.668 -3.642 -3.989 1.00 0.00 C ATOM 357 CD1 PHE A 24 43.827 -5.022 -4.156 1.00 0.00 C ATOM 358 CD2 PHE A 24 43.173 -2.862 -5.042 1.00 0.00 C ATOM 359 CE1 PHE A 24 43.492 -5.624 -5.374 1.00 0.00 C ATOM 360 CE2 PHE A 24 42.840 -3.464 -6.262 1.00 0.00 C ATOM 361 CZ PHE A 24 42.999 -4.845 -6.428 1.00 0.00 C ATOM 0 H PHE A 24 44.772 -4.487 -0.868 1.00 0.00 H new ATOM 0 HA PHE A 24 46.100 -3.348 -3.300 1.00 0.00 H new ATOM 0 HB2 PHE A 24 43.437 -3.432 -1.867 1.00 0.00 H new ATOM 0 HB3 PHE A 24 43.786 -1.931 -2.701 1.00 0.00 H new ATOM 0 HD1 PHE A 24 44.209 -5.623 -3.344 1.00 0.00 H new ATOM 0 HD2 PHE A 24 43.048 -1.797 -4.913 1.00 0.00 H new ATOM 0 HE1 PHE A 24 43.614 -6.690 -5.501 1.00 0.00 H new ATOM 0 HE2 PHE A 24 42.460 -2.863 -7.075 1.00 0.00 H new ATOM 0 HZ PHE A 24 42.742 -5.309 -7.369 1.00 0.00 H new ATOM 371 N TYR A 25 47.277 -1.518 -2.157 1.00 0.00 N ATOM 372 CA TYR A 25 47.908 -0.289 -1.580 1.00 0.00 C ATOM 373 C TYR A 25 47.502 0.935 -2.420 1.00 0.00 C ATOM 374 O TYR A 25 47.414 0.865 -3.631 1.00 0.00 O ATOM 375 CB TYR A 25 49.427 -0.570 -1.640 1.00 0.00 C ATOM 376 CG TYR A 25 50.247 0.708 -1.565 1.00 0.00 C ATOM 377 CD1 TYR A 25 49.920 1.707 -0.640 1.00 0.00 C ATOM 378 CD2 TYR A 25 51.337 0.885 -2.428 1.00 0.00 C ATOM 379 CE1 TYR A 25 50.683 2.880 -0.578 1.00 0.00 C ATOM 380 CE2 TYR A 25 52.098 2.057 -2.365 1.00 0.00 C ATOM 381 CZ TYR A 25 51.772 3.055 -1.441 1.00 0.00 C ATOM 382 OH TYR A 25 52.522 4.211 -1.380 1.00 0.00 O ATOM 0 H TYR A 25 47.824 -1.982 -2.882 1.00 0.00 H new ATOM 0 HA TYR A 25 47.595 -0.071 -0.559 1.00 0.00 H new ATOM 0 HB2 TYR A 25 49.706 -1.229 -0.818 1.00 0.00 H new ATOM 0 HB3 TYR A 25 49.662 -1.097 -2.565 1.00 0.00 H new ATOM 0 HD1 TYR A 25 49.080 1.573 0.025 1.00 0.00 H new ATOM 0 HD2 TYR A 25 51.590 0.116 -3.143 1.00 0.00 H new ATOM 0 HE1 TYR A 25 50.431 3.650 0.136 1.00 0.00 H new ATOM 0 HE2 TYR A 25 52.938 2.191 -3.030 1.00 0.00 H new ATOM 0 HH TYR A 25 53.442 4.019 -1.659 1.00 0.00 H new ATOM 392 N TYR A 26 47.260 2.051 -1.780 1.00 0.00 N ATOM 393 CA TYR A 26 46.866 3.282 -2.529 1.00 0.00 C ATOM 394 C TYR A 26 48.114 4.036 -2.997 1.00 0.00 C ATOM 395 O TYR A 26 48.843 4.598 -2.201 1.00 0.00 O ATOM 396 CB TYR A 26 46.078 4.125 -1.525 1.00 0.00 C ATOM 397 CG TYR A 26 45.511 5.337 -2.225 1.00 0.00 C ATOM 398 CD1 TYR A 26 44.346 5.221 -2.991 1.00 0.00 C ATOM 399 CD2 TYR A 26 46.153 6.575 -2.109 1.00 0.00 C ATOM 400 CE1 TYR A 26 43.822 6.344 -3.643 1.00 0.00 C ATOM 401 CE2 TYR A 26 45.628 7.699 -2.759 1.00 0.00 C ATOM 402 CZ TYR A 26 44.463 7.582 -3.527 1.00 0.00 C ATOM 403 OH TYR A 26 43.947 8.689 -4.169 1.00 0.00 O ATOM 0 H TYR A 26 47.319 2.162 -0.768 1.00 0.00 H new ATOM 0 HA TYR A 26 46.278 3.053 -3.418 1.00 0.00 H new ATOM 0 HB2 TYR A 26 45.273 3.533 -1.089 1.00 0.00 H new ATOM 0 HB3 TYR A 26 46.726 4.435 -0.705 1.00 0.00 H new ATOM 0 HD1 TYR A 26 43.851 4.265 -3.079 1.00 0.00 H new ATOM 0 HD2 TYR A 26 47.053 6.664 -1.519 1.00 0.00 H new ATOM 0 HE1 TYR A 26 42.923 6.254 -4.235 1.00 0.00 H new ATOM 0 HE2 TYR A 26 46.121 8.655 -2.668 1.00 0.00 H new ATOM 0 HH TYR A 26 44.512 9.468 -3.984 1.00 0.00 H new ATOM 413 N ASN A 27 48.363 4.050 -4.283 1.00 0.00 N ATOM 414 CA ASN A 27 49.565 4.765 -4.810 1.00 0.00 C ATOM 415 C ASN A 27 49.348 6.280 -4.746 1.00 0.00 C ATOM 416 O ASN A 27 48.443 6.812 -5.361 1.00 0.00 O ATOM 417 CB ASN A 27 49.705 4.304 -6.263 1.00 0.00 C ATOM 418 CG ASN A 27 51.185 4.288 -6.652 1.00 0.00 C ATOM 419 OD1 ASN A 27 51.984 5.005 -6.081 1.00 0.00 O ATOM 420 ND2 ASN A 27 51.589 3.495 -7.606 1.00 0.00 N ATOM 0 H ASN A 27 47.785 3.597 -4.991 1.00 0.00 H new ATOM 0 HA ASN A 27 50.460 4.545 -4.229 1.00 0.00 H new ATOM 0 HB2 ASN A 27 49.275 3.309 -6.383 1.00 0.00 H new ATOM 0 HB3 ASN A 27 49.152 4.972 -6.923 1.00 0.00 H new ATOM 0 HD21 ASN A 27 52.574 3.477 -7.872 1.00 0.00 H new ATOM 0 HD22 ASN A 27 50.920 2.893 -8.086 1.00 0.00 H new ATOM 427 N SER A 28 50.173 6.973 -4.003 1.00 0.00 N ATOM 428 CA SER A 28 50.023 8.457 -3.892 1.00 0.00 C ATOM 429 C SER A 28 50.648 9.170 -5.101 1.00 0.00 C ATOM 430 O SER A 28 50.642 10.385 -5.173 1.00 0.00 O ATOM 431 CB SER A 28 50.765 8.834 -2.612 1.00 0.00 C ATOM 432 OG SER A 28 50.735 10.247 -2.453 1.00 0.00 O ATOM 0 H SER A 28 50.945 6.576 -3.468 1.00 0.00 H new ATOM 0 HA SER A 28 48.974 8.754 -3.868 1.00 0.00 H new ATOM 0 HB2 SER A 28 50.302 8.349 -1.753 1.00 0.00 H new ATOM 0 HB3 SER A 28 51.796 8.483 -2.658 1.00 0.00 H new ATOM 0 HG SER A 28 50.617 10.672 -3.328 1.00 0.00 H new ATOM 438 N VAL A 29 51.183 8.435 -6.048 1.00 0.00 N ATOM 439 CA VAL A 29 51.798 9.084 -7.243 1.00 0.00 C ATOM 440 C VAL A 29 50.821 9.021 -8.419 1.00 0.00 C ATOM 441 O VAL A 29 50.460 10.032 -8.992 1.00 0.00 O ATOM 442 CB VAL A 29 53.063 8.272 -7.543 1.00 0.00 C ATOM 443 CG1 VAL A 29 53.786 8.876 -8.750 1.00 0.00 C ATOM 444 CG2 VAL A 29 53.997 8.300 -6.324 1.00 0.00 C ATOM 0 H VAL A 29 51.219 7.416 -6.042 1.00 0.00 H new ATOM 0 HA VAL A 29 52.033 10.134 -7.072 1.00 0.00 H new ATOM 0 HB VAL A 29 52.784 7.241 -7.763 1.00 0.00 H new ATOM 0 HG11 VAL A 29 54.685 8.298 -8.962 1.00 0.00 H new ATOM 0 HG12 VAL A 29 53.127 8.853 -9.618 1.00 0.00 H new ATOM 0 HG13 VAL A 29 54.061 9.908 -8.530 1.00 0.00 H new ATOM 0 HG21 VAL A 29 54.895 7.722 -6.541 1.00 0.00 H new ATOM 0 HG22 VAL A 29 54.274 9.330 -6.101 1.00 0.00 H new ATOM 0 HG23 VAL A 29 53.486 7.868 -5.464 1.00 0.00 H new ATOM 454 N ILE A 30 50.390 7.838 -8.777 1.00 0.00 N ATOM 455 CA ILE A 30 49.428 7.700 -9.911 1.00 0.00 C ATOM 456 C ILE A 30 47.986 7.766 -9.396 1.00 0.00 C ATOM 457 O ILE A 30 47.084 8.163 -10.109 1.00 0.00 O ATOM 458 CB ILE A 30 49.731 6.341 -10.552 1.00 0.00 C ATOM 459 CG1 ILE A 30 49.544 5.214 -9.529 1.00 0.00 C ATOM 460 CG2 ILE A 30 51.175 6.328 -11.057 1.00 0.00 C ATOM 461 CD1 ILE A 30 49.429 3.877 -10.264 1.00 0.00 C ATOM 0 H ILE A 30 50.663 6.962 -8.332 1.00 0.00 H new ATOM 0 HA ILE A 30 49.534 8.506 -10.637 1.00 0.00 H new ATOM 0 HB ILE A 30 49.044 6.183 -11.383 1.00 0.00 H new ATOM 0 HG12 ILE A 30 50.387 5.191 -8.838 1.00 0.00 H new ATOM 0 HG13 ILE A 30 48.649 5.393 -8.934 1.00 0.00 H new ATOM 0 HG21 ILE A 30 51.392 5.362 -11.513 1.00 0.00 H new ATOM 0 HG22 ILE A 30 51.309 7.117 -11.797 1.00 0.00 H new ATOM 0 HG23 ILE A 30 51.854 6.495 -10.221 1.00 0.00 H new ATOM 0 HD11 ILE A 30 49.296 3.074 -9.539 1.00 0.00 H new ATOM 0 HD12 ILE A 30 48.572 3.904 -10.937 1.00 0.00 H new ATOM 0 HD13 ILE A 30 50.337 3.699 -10.840 1.00 0.00 H new ATOM 473 N GLY A 31 47.766 7.394 -8.157 1.00 0.00 N ATOM 474 CA GLY A 31 46.387 7.450 -7.585 1.00 0.00 C ATOM 475 C GLY A 31 45.729 6.069 -7.644 1.00 0.00 C ATOM 476 O GLY A 31 44.930 5.721 -6.795 1.00 0.00 O ATOM 0 H GLY A 31 48.485 7.054 -7.518 1.00 0.00 H new ATOM 0 HA2 GLY A 31 46.428 7.796 -6.552 1.00 0.00 H new ATOM 0 HA3 GLY A 31 45.785 8.171 -8.139 1.00 0.00 H new ATOM 480 N LYS A 32 46.050 5.283 -8.641 1.00 0.00 N ATOM 481 CA LYS A 32 45.431 3.924 -8.755 1.00 0.00 C ATOM 482 C LYS A 32 45.916 3.015 -7.620 1.00 0.00 C ATOM 483 O LYS A 32 47.080 3.020 -7.264 1.00 0.00 O ATOM 484 CB LYS A 32 45.892 3.383 -10.109 1.00 0.00 C ATOM 485 CG LYS A 32 45.246 4.196 -11.234 1.00 0.00 C ATOM 486 CD LYS A 32 43.800 3.735 -11.437 1.00 0.00 C ATOM 487 CE LYS A 32 43.378 3.997 -12.886 1.00 0.00 C ATOM 488 NZ LYS A 32 41.930 4.341 -12.810 1.00 0.00 N ATOM 0 H LYS A 32 46.712 5.521 -9.380 1.00 0.00 H new ATOM 0 HA LYS A 32 44.344 3.965 -8.682 1.00 0.00 H new ATOM 0 HB2 LYS A 32 46.978 3.439 -10.184 1.00 0.00 H new ATOM 0 HB3 LYS A 32 45.620 2.332 -10.204 1.00 0.00 H new ATOM 0 HG2 LYS A 32 45.269 5.258 -10.988 1.00 0.00 H new ATOM 0 HG3 LYS A 32 45.811 4.071 -12.158 1.00 0.00 H new ATOM 0 HD2 LYS A 32 43.710 2.673 -11.207 1.00 0.00 H new ATOM 0 HD3 LYS A 32 43.138 4.266 -10.753 1.00 0.00 H new ATOM 0 HE2 LYS A 32 43.955 4.812 -13.324 1.00 0.00 H new ATOM 0 HE3 LYS A 32 43.543 3.119 -13.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 41.568 4.534 -13.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 41.405 3.544 -12.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 41.804 5.185 -12.215 1.00 0.00 H new ATOM 502 N CYS A 33 45.030 2.232 -7.055 1.00 0.00 N ATOM 503 CA CYS A 33 45.429 1.311 -5.946 1.00 0.00 C ATOM 504 C CYS A 33 46.122 0.073 -6.530 1.00 0.00 C ATOM 505 O CYS A 33 45.491 -0.771 -7.137 1.00 0.00 O ATOM 506 CB CYS A 33 44.113 0.929 -5.254 1.00 0.00 C ATOM 507 SG CYS A 33 44.424 0.537 -3.512 1.00 0.00 S ATOM 0 H CYS A 33 44.045 2.191 -7.315 1.00 0.00 H new ATOM 0 HA CYS A 33 46.129 1.769 -5.247 1.00 0.00 H new ATOM 0 HB2 CYS A 33 43.400 1.750 -5.329 1.00 0.00 H new ATOM 0 HB3 CYS A 33 43.664 0.071 -5.755 1.00 0.00 H new ATOM 512 N ARG A 34 47.419 -0.031 -6.363 1.00 0.00 N ATOM 513 CA ARG A 34 48.164 -1.204 -6.918 1.00 0.00 C ATOM 514 C ARG A 34 48.226 -2.350 -5.881 1.00 0.00 C ATOM 515 O ARG A 34 48.661 -2.122 -4.769 1.00 0.00 O ATOM 516 CB ARG A 34 49.570 -0.672 -7.202 1.00 0.00 C ATOM 517 CG ARG A 34 49.613 -0.048 -8.601 1.00 0.00 C ATOM 518 CD ARG A 34 49.894 -1.137 -9.641 1.00 0.00 C ATOM 519 NE ARG A 34 50.167 -0.399 -10.906 1.00 0.00 N ATOM 520 CZ ARG A 34 51.396 -0.223 -11.310 1.00 0.00 C ATOM 521 NH1 ARG A 34 52.020 -1.183 -11.937 1.00 0.00 N ATOM 522 NH2 ARG A 34 52.000 0.913 -11.091 1.00 0.00 N ATOM 0 H ARG A 34 47.994 0.648 -5.865 1.00 0.00 H new ATOM 0 HA ARG A 34 47.684 -1.611 -7.808 1.00 0.00 H new ATOM 0 HB2 ARG A 34 49.846 0.070 -6.453 1.00 0.00 H new ATOM 0 HB3 ARG A 34 50.297 -1.481 -7.132 1.00 0.00 H new ATOM 0 HG2 ARG A 34 48.665 0.443 -8.821 1.00 0.00 H new ATOM 0 HG3 ARG A 34 50.386 0.719 -8.645 1.00 0.00 H new ATOM 0 HD2 ARG A 34 50.747 -1.751 -9.350 1.00 0.00 H new ATOM 0 HD3 ARG A 34 49.042 -1.807 -9.751 1.00 0.00 H new ATOM 0 HE ARG A 34 49.392 -0.030 -11.458 1.00 0.00 H new ATOM 0 HH11 ARG A 34 51.547 -2.070 -12.111 1.00 0.00 H new ATOM 0 HH12 ARG A 34 52.980 -1.046 -12.253 1.00 0.00 H new ATOM 0 HH21 ARG A 34 51.512 1.664 -10.604 1.00 0.00 H new ATOM 0 HH22 ARG A 34 52.960 1.049 -11.407 1.00 0.00 H new ATOM 536 N PRO A 35 47.800 -3.556 -6.250 1.00 0.00 N ATOM 537 CA PRO A 35 47.845 -4.689 -5.288 1.00 0.00 C ATOM 538 C PRO A 35 49.295 -5.079 -4.970 1.00 0.00 C ATOM 539 O PRO A 35 50.032 -5.507 -5.839 1.00 0.00 O ATOM 540 CB PRO A 35 47.135 -5.814 -6.053 1.00 0.00 C ATOM 541 CG PRO A 35 46.711 -5.286 -7.435 1.00 0.00 C ATOM 542 CD PRO A 35 47.251 -3.861 -7.602 1.00 0.00 C ATOM 0 HA PRO A 35 47.383 -4.459 -4.328 1.00 0.00 H new ATOM 0 HB2 PRO A 35 47.799 -6.671 -6.164 1.00 0.00 H new ATOM 0 HB3 PRO A 35 46.263 -6.156 -5.496 1.00 0.00 H new ATOM 0 HG2 PRO A 35 47.099 -5.932 -8.222 1.00 0.00 H new ATOM 0 HG3 PRO A 35 45.625 -5.292 -7.525 1.00 0.00 H new ATOM 0 HD2 PRO A 35 48.020 -3.808 -8.372 1.00 0.00 H new ATOM 0 HD3 PRO A 35 46.465 -3.161 -7.887 1.00 0.00 H new ATOM 550 N PHE A 36 49.703 -4.950 -3.730 1.00 0.00 N ATOM 551 CA PHE A 36 51.100 -5.331 -3.355 1.00 0.00 C ATOM 552 C PHE A 36 51.085 -6.655 -2.581 1.00 0.00 C ATOM 553 O PHE A 36 50.163 -6.932 -1.834 1.00 0.00 O ATOM 554 CB PHE A 36 51.641 -4.159 -2.505 1.00 0.00 C ATOM 555 CG PHE A 36 51.074 -4.179 -1.096 1.00 0.00 C ATOM 556 CD1 PHE A 36 49.804 -3.652 -0.841 1.00 0.00 C ATOM 557 CD2 PHE A 36 51.829 -4.717 -0.046 1.00 0.00 C ATOM 558 CE1 PHE A 36 49.286 -3.664 0.460 1.00 0.00 C ATOM 559 CE2 PHE A 36 51.312 -4.729 1.254 1.00 0.00 C ATOM 560 CZ PHE A 36 50.041 -4.202 1.507 1.00 0.00 C ATOM 0 H PHE A 36 49.130 -4.598 -2.963 1.00 0.00 H new ATOM 0 HA PHE A 36 51.740 -5.493 -4.222 1.00 0.00 H new ATOM 0 HB2 PHE A 36 52.729 -4.213 -2.460 1.00 0.00 H new ATOM 0 HB3 PHE A 36 51.389 -3.214 -2.986 1.00 0.00 H new ATOM 0 HD1 PHE A 36 49.221 -3.235 -1.649 1.00 0.00 H new ATOM 0 HD2 PHE A 36 52.811 -5.123 -0.240 1.00 0.00 H new ATOM 0 HE1 PHE A 36 48.304 -3.258 0.655 1.00 0.00 H new ATOM 0 HE2 PHE A 36 51.894 -5.145 2.063 1.00 0.00 H new ATOM 0 HZ PHE A 36 49.643 -4.211 2.511 1.00 0.00 H new ATOM 570 N LYS A 37 52.089 -7.474 -2.758 1.00 0.00 N ATOM 571 CA LYS A 37 52.122 -8.783 -2.038 1.00 0.00 C ATOM 572 C LYS A 37 52.142 -8.560 -0.522 1.00 0.00 C ATOM 573 O LYS A 37 53.111 -8.079 0.034 1.00 0.00 O ATOM 574 CB LYS A 37 53.405 -9.476 -2.507 1.00 0.00 C ATOM 575 CG LYS A 37 53.053 -10.581 -3.507 1.00 0.00 C ATOM 576 CD LYS A 37 54.330 -11.096 -4.178 1.00 0.00 C ATOM 577 CE LYS A 37 53.998 -11.618 -5.579 1.00 0.00 C ATOM 578 NZ LYS A 37 55.293 -12.127 -6.113 1.00 0.00 N ATOM 0 H LYS A 37 52.886 -7.294 -3.368 1.00 0.00 H new ATOM 0 HA LYS A 37 51.241 -9.388 -2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 37 54.074 -8.751 -2.971 1.00 0.00 H new ATOM 0 HB3 LYS A 37 53.935 -9.899 -1.654 1.00 0.00 H new ATOM 0 HG2 LYS A 37 52.544 -11.398 -2.996 1.00 0.00 H new ATOM 0 HG3 LYS A 37 52.364 -10.198 -4.260 1.00 0.00 H new ATOM 0 HD2 LYS A 37 55.068 -10.296 -4.242 1.00 0.00 H new ATOM 0 HD3 LYS A 37 54.773 -11.891 -3.578 1.00 0.00 H new ATOM 0 HE2 LYS A 37 53.249 -12.409 -5.539 1.00 0.00 H new ATOM 0 HE3 LYS A 37 53.594 -10.827 -6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 55.149 -12.503 -7.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 55.984 -11.351 -6.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 55.650 -12.883 -5.495 1.00 0.00 H new ATOM 592 N TYR A 38 51.070 -8.910 0.144 1.00 0.00 N ATOM 593 CA TYR A 38 51.001 -8.730 1.627 1.00 0.00 C ATOM 594 C TYR A 38 51.859 -9.786 2.327 1.00 0.00 C ATOM 595 O TYR A 38 51.926 -10.927 1.903 1.00 0.00 O ATOM 596 CB TYR A 38 49.523 -8.918 1.979 1.00 0.00 C ATOM 597 CG TYR A 38 49.190 -8.217 3.278 1.00 0.00 C ATOM 598 CD1 TYR A 38 49.571 -6.885 3.480 1.00 0.00 C ATOM 599 CD2 TYR A 38 48.482 -8.901 4.274 1.00 0.00 C ATOM 600 CE1 TYR A 38 49.243 -6.237 4.676 1.00 0.00 C ATOM 601 CE2 TYR A 38 48.151 -8.251 5.468 1.00 0.00 C ATOM 602 CZ TYR A 38 48.531 -6.920 5.670 1.00 0.00 C ATOM 603 OH TYR A 38 48.199 -6.279 6.844 1.00 0.00 O ATOM 0 H TYR A 38 50.235 -9.315 -0.278 1.00 0.00 H new ATOM 0 HA TYR A 38 51.375 -7.757 1.944 1.00 0.00 H new ATOM 0 HB2 TYR A 38 48.900 -8.523 1.177 1.00 0.00 H new ATOM 0 HB3 TYR A 38 49.297 -9.981 2.065 1.00 0.00 H new ATOM 0 HD1 TYR A 38 50.118 -6.358 2.713 1.00 0.00 H new ATOM 0 HD2 TYR A 38 48.192 -9.930 4.121 1.00 0.00 H new ATOM 0 HE1 TYR A 38 49.539 -5.210 4.833 1.00 0.00 H new ATOM 0 HE2 TYR A 38 47.602 -8.777 6.234 1.00 0.00 H new ATOM 0 HH TYR A 38 48.222 -5.309 6.705 1.00 0.00 H new ATOM 613 N SER A 39 52.515 -9.406 3.392 1.00 0.00 N ATOM 614 CA SER A 39 53.381 -10.371 4.134 1.00 0.00 C ATOM 615 C SER A 39 52.522 -11.385 4.896 1.00 0.00 C ATOM 616 O SER A 39 52.921 -12.515 5.096 1.00 0.00 O ATOM 617 CB SER A 39 54.189 -9.510 5.105 1.00 0.00 C ATOM 618 OG SER A 39 54.820 -8.459 4.386 1.00 0.00 O ATOM 0 H SER A 39 52.488 -8.464 3.782 1.00 0.00 H new ATOM 0 HA SER A 39 54.023 -10.945 3.466 1.00 0.00 H new ATOM 0 HB2 SER A 39 53.536 -9.099 5.875 1.00 0.00 H new ATOM 0 HB3 SER A 39 54.937 -10.119 5.613 1.00 0.00 H new ATOM 0 HG SER A 39 55.787 -8.615 4.361 1.00 0.00 H new ATOM 624 N GLY A 40 51.348 -10.993 5.322 1.00 0.00 N ATOM 625 CA GLY A 40 50.468 -11.943 6.068 1.00 0.00 C ATOM 626 C GLY A 40 49.823 -11.230 7.254 1.00 0.00 C ATOM 627 O GLY A 40 48.660 -10.873 7.216 1.00 0.00 O ATOM 0 H GLY A 40 50.962 -10.059 5.186 1.00 0.00 H new ATOM 0 HA2 GLY A 40 49.697 -12.335 5.405 1.00 0.00 H new ATOM 0 HA3 GLY A 40 51.051 -12.795 6.418 1.00 0.00 H new ATOM 631 N CYS A 41 50.571 -11.020 8.309 1.00 0.00 N ATOM 632 CA CYS A 41 50.005 -10.330 9.506 1.00 0.00 C ATOM 633 C CYS A 41 49.626 -8.889 9.154 1.00 0.00 C ATOM 634 O CYS A 41 48.458 -8.547 9.097 1.00 0.00 O ATOM 635 CB CYS A 41 51.123 -10.371 10.548 1.00 0.00 C ATOM 636 SG CYS A 41 51.409 -12.093 11.026 1.00 0.00 S ATOM 0 H CYS A 41 51.549 -11.297 8.392 1.00 0.00 H new ATOM 0 HA CYS A 41 49.096 -10.806 9.875 1.00 0.00 H new ATOM 0 HB2 CYS A 41 52.035 -9.936 10.140 1.00 0.00 H new ATOM 0 HB3 CYS A 41 50.849 -9.777 11.420 1.00 0.00 H new ATOM 641 N GLY A 42 50.598 -8.049 8.911 1.00 0.00 N ATOM 642 CA GLY A 42 50.289 -6.633 8.554 1.00 0.00 C ATOM 643 C GLY A 42 51.267 -5.692 9.254 1.00 0.00 C ATOM 644 O GLY A 42 52.039 -6.101 10.098 1.00 0.00 O ATOM 0 H GLY A 42 51.591 -8.282 8.944 1.00 0.00 H new ATOM 0 HA2 GLY A 42 50.353 -6.499 7.474 1.00 0.00 H new ATOM 0 HA3 GLY A 42 49.267 -6.391 8.845 1.00 0.00 H new ATOM 648 N GLY A 43 51.230 -4.432 8.904 1.00 0.00 N ATOM 649 CA GLY A 43 52.148 -3.441 9.538 1.00 0.00 C ATOM 650 C GLY A 43 51.407 -2.116 9.723 1.00 0.00 C ATOM 651 O GLY A 43 51.152 -1.688 10.834 1.00 0.00 O ATOM 0 H GLY A 43 50.599 -4.046 8.202 1.00 0.00 H new ATOM 0 HA2 GLY A 43 52.496 -3.814 10.501 1.00 0.00 H new ATOM 0 HA3 GLY A 43 53.030 -3.294 8.915 1.00 0.00 H new ATOM 655 N ASN A 44 51.055 -1.468 8.641 1.00 0.00 N ATOM 656 CA ASN A 44 50.324 -0.171 8.743 1.00 0.00 C ATOM 657 C ASN A 44 48.819 -0.427 8.872 1.00 0.00 C ATOM 658 O ASN A 44 48.368 -1.555 8.803 1.00 0.00 O ATOM 659 CB ASN A 44 50.638 0.564 7.438 1.00 0.00 C ATOM 660 CG ASN A 44 50.830 2.055 7.723 1.00 0.00 C ATOM 661 OD1 ASN A 44 50.144 2.621 8.550 1.00 0.00 O ATOM 662 ND2 ASN A 44 51.744 2.718 7.069 1.00 0.00 N ATOM 0 H ASN A 44 51.244 -1.783 7.689 1.00 0.00 H new ATOM 0 HA ASN A 44 50.624 0.409 9.616 1.00 0.00 H new ATOM 0 HB2 ASN A 44 51.539 0.151 6.984 1.00 0.00 H new ATOM 0 HB3 ASN A 44 49.827 0.421 6.724 1.00 0.00 H new ATOM 0 HD21 ASN A 44 51.882 3.712 7.252 1.00 0.00 H new ATOM 0 HD22 ASN A 44 52.320 2.242 6.374 1.00 0.00 H new ATOM 669 N GLU A 45 48.044 0.611 9.063 1.00 0.00 N ATOM 670 CA GLU A 45 46.567 0.432 9.203 1.00 0.00 C ATOM 671 C GLU A 45 45.848 0.901 7.936 1.00 0.00 C ATOM 672 O GLU A 45 44.753 1.430 7.995 1.00 0.00 O ATOM 673 CB GLU A 45 46.173 1.304 10.395 1.00 0.00 C ATOM 674 CG GLU A 45 45.045 0.624 11.172 1.00 0.00 C ATOM 675 CD GLU A 45 44.477 1.600 12.204 1.00 0.00 C ATOM 676 OE1 GLU A 45 43.926 2.609 11.795 1.00 0.00 O ATOM 677 OE2 GLU A 45 44.603 1.322 13.384 1.00 0.00 O ATOM 0 H GLU A 45 48.371 1.575 9.128 1.00 0.00 H new ATOM 0 HA GLU A 45 46.294 -0.613 9.352 1.00 0.00 H new ATOM 0 HB2 GLU A 45 47.034 1.461 11.045 1.00 0.00 H new ATOM 0 HB3 GLU A 45 45.851 2.286 10.050 1.00 0.00 H new ATOM 0 HG2 GLU A 45 44.259 0.303 10.488 1.00 0.00 H new ATOM 0 HG3 GLU A 45 45.419 -0.271 11.669 1.00 0.00 H new ATOM 684 N ASN A 46 46.455 0.711 6.793 1.00 0.00 N ATOM 685 CA ASN A 46 45.810 1.144 5.517 1.00 0.00 C ATOM 686 C ASN A 46 45.853 0.008 4.491 1.00 0.00 C ATOM 687 O ASN A 46 46.010 0.237 3.306 1.00 0.00 O ATOM 688 CB ASN A 46 46.638 2.336 5.038 1.00 0.00 C ATOM 689 CG ASN A 46 45.986 2.942 3.795 1.00 0.00 C ATOM 690 OD1 ASN A 46 44.815 3.269 3.806 1.00 0.00 O ATOM 691 ND2 ASN A 46 46.699 3.110 2.715 1.00 0.00 N ATOM 0 H ASN A 46 47.371 0.274 6.688 1.00 0.00 H new ATOM 0 HA ASN A 46 44.761 1.408 5.652 1.00 0.00 H new ATOM 0 HB2 ASN A 46 46.708 3.085 5.827 1.00 0.00 H new ATOM 0 HB3 ASN A 46 47.655 2.018 4.810 1.00 0.00 H new ATOM 0 HD21 ASN A 46 46.274 3.515 1.881 1.00 0.00 H new ATOM 0 HD22 ASN A 46 47.681 2.836 2.705 1.00 0.00 H new ATOM 698 N ASN A 47 45.715 -1.213 4.941 1.00 0.00 N ATOM 699 CA ASN A 47 45.745 -2.372 4.000 1.00 0.00 C ATOM 700 C ASN A 47 44.334 -2.680 3.493 1.00 0.00 C ATOM 701 O ASN A 47 43.528 -3.266 4.191 1.00 0.00 O ATOM 702 CB ASN A 47 46.285 -3.540 4.828 1.00 0.00 C ATOM 703 CG ASN A 47 47.704 -3.219 5.301 1.00 0.00 C ATOM 704 OD1 ASN A 47 48.002 -3.313 6.475 1.00 0.00 O ATOM 705 ND2 ASN A 47 48.600 -2.841 4.430 1.00 0.00 N ATOM 0 H ASN A 47 45.582 -1.457 5.922 1.00 0.00 H new ATOM 0 HA ASN A 47 46.360 -2.175 3.122 1.00 0.00 H new ATOM 0 HB2 ASN A 47 45.637 -3.722 5.685 1.00 0.00 H new ATOM 0 HB3 ASN A 47 46.287 -4.452 4.231 1.00 0.00 H new ATOM 0 HD21 ASN A 47 49.549 -2.625 4.735 1.00 0.00 H new ATOM 0 HD22 ASN A 47 48.351 -2.762 3.444 1.00 0.00 H new ATOM 712 N PHE A 48 44.034 -2.288 2.280 1.00 0.00 N ATOM 713 CA PHE A 48 42.677 -2.553 1.713 1.00 0.00 C ATOM 714 C PHE A 48 42.626 -3.949 1.098 1.00 0.00 C ATOM 715 O PHE A 48 43.644 -4.538 0.783 1.00 0.00 O ATOM 716 CB PHE A 48 42.477 -1.478 0.645 1.00 0.00 C ATOM 717 CG PHE A 48 42.362 -0.127 1.310 1.00 0.00 C ATOM 718 CD1 PHE A 48 41.289 0.140 2.169 1.00 0.00 C ATOM 719 CD2 PHE A 48 43.327 0.859 1.069 1.00 0.00 C ATOM 720 CE1 PHE A 48 41.182 1.391 2.789 1.00 0.00 C ATOM 721 CE2 PHE A 48 43.219 2.110 1.688 1.00 0.00 C ATOM 722 CZ PHE A 48 42.147 2.376 2.548 1.00 0.00 C ATOM 0 H PHE A 48 44.673 -1.794 1.656 1.00 0.00 H new ATOM 0 HA PHE A 48 41.895 -2.517 2.472 1.00 0.00 H new ATOM 0 HB2 PHE A 48 43.315 -1.482 -0.053 1.00 0.00 H new ATOM 0 HB3 PHE A 48 41.578 -1.688 0.065 1.00 0.00 H new ATOM 0 HD1 PHE A 48 40.543 -0.619 2.353 1.00 0.00 H new ATOM 0 HD2 PHE A 48 44.154 0.654 0.406 1.00 0.00 H new ATOM 0 HE1 PHE A 48 40.355 1.596 3.453 1.00 0.00 H new ATOM 0 HE2 PHE A 48 43.963 2.870 1.502 1.00 0.00 H new ATOM 0 HZ PHE A 48 42.064 3.341 3.026 1.00 0.00 H new ATOM 732 N THR A 49 41.445 -4.482 0.940 1.00 0.00 N ATOM 733 CA THR A 49 41.305 -5.850 0.359 1.00 0.00 C ATOM 734 C THR A 49 40.728 -5.775 -1.059 1.00 0.00 C ATOM 735 O THR A 49 40.870 -6.698 -1.839 1.00 0.00 O ATOM 736 CB THR A 49 40.336 -6.602 1.289 1.00 0.00 C ATOM 737 OG1 THR A 49 40.276 -5.972 2.564 1.00 0.00 O ATOM 738 CG2 THR A 49 40.819 -8.039 1.465 1.00 0.00 C ATOM 0 H THR A 49 40.567 -4.027 1.189 1.00 0.00 H new ATOM 0 HA THR A 49 42.269 -6.354 0.287 1.00 0.00 H new ATOM 0 HB THR A 49 39.342 -6.591 0.842 1.00 0.00 H new ATOM 0 HG1 THR A 49 39.654 -6.462 3.142 1.00 0.00 H new ATOM 0 HG21 THR A 49 40.135 -8.575 2.123 1.00 0.00 H new ATOM 0 HG22 THR A 49 40.851 -8.534 0.494 1.00 0.00 H new ATOM 0 HG23 THR A 49 41.817 -8.036 1.903 1.00 0.00 H new ATOM 746 N SER A 50 40.077 -4.688 -1.398 1.00 0.00 N ATOM 747 CA SER A 50 39.489 -4.562 -2.767 1.00 0.00 C ATOM 748 C SER A 50 39.690 -3.144 -3.308 1.00 0.00 C ATOM 749 O SER A 50 40.184 -2.271 -2.619 1.00 0.00 O ATOM 750 CB SER A 50 38.002 -4.861 -2.584 1.00 0.00 C ATOM 751 OG SER A 50 37.842 -6.209 -2.163 1.00 0.00 O ATOM 0 H SER A 50 39.928 -3.885 -0.787 1.00 0.00 H new ATOM 0 HA SER A 50 39.959 -5.239 -3.481 1.00 0.00 H new ATOM 0 HB2 SER A 50 37.571 -4.184 -1.846 1.00 0.00 H new ATOM 0 HB3 SER A 50 37.468 -4.694 -3.520 1.00 0.00 H new ATOM 0 HG SER A 50 36.889 -6.403 -2.043 1.00 0.00 H new ATOM 757 N LYS A 51 39.309 -2.914 -4.539 1.00 0.00 N ATOM 758 CA LYS A 51 39.474 -1.556 -5.141 1.00 0.00 C ATOM 759 C LYS A 51 38.351 -0.630 -4.666 1.00 0.00 C ATOM 760 O LYS A 51 38.572 0.533 -4.381 1.00 0.00 O ATOM 761 CB LYS A 51 39.383 -1.776 -6.652 1.00 0.00 C ATOM 762 CG LYS A 51 39.865 -0.519 -7.382 1.00 0.00 C ATOM 763 CD LYS A 51 39.112 -0.374 -8.708 1.00 0.00 C ATOM 764 CE LYS A 51 37.814 0.412 -8.489 1.00 0.00 C ATOM 765 NZ LYS A 51 36.719 -0.577 -8.701 1.00 0.00 N ATOM 0 H LYS A 51 38.889 -3.610 -5.155 1.00 0.00 H new ATOM 0 HA LYS A 51 40.416 -1.089 -4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 51 39.990 -2.633 -6.942 1.00 0.00 H new ATOM 0 HB3 LYS A 51 38.355 -2.003 -6.936 1.00 0.00 H new ATOM 0 HG2 LYS A 51 39.700 0.361 -6.760 1.00 0.00 H new ATOM 0 HG3 LYS A 51 40.937 -0.582 -7.566 1.00 0.00 H new ATOM 0 HD2 LYS A 51 39.739 0.139 -9.438 1.00 0.00 H new ATOM 0 HD3 LYS A 51 38.886 -1.359 -9.117 1.00 0.00 H new ATOM 0 HE2 LYS A 51 37.774 0.835 -7.485 1.00 0.00 H new ATOM 0 HE3 LYS A 51 37.734 1.244 -9.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 35.954 -0.399 -8.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 36.350 -0.484 -9.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 37.089 -1.539 -8.563 1.00 0.00 H new ATOM 779 N GLN A 52 37.148 -1.140 -4.584 1.00 0.00 N ATOM 780 CA GLN A 52 35.998 -0.296 -4.130 1.00 0.00 C ATOM 781 C GLN A 52 36.247 0.234 -2.716 1.00 0.00 C ATOM 782 O GLN A 52 35.793 1.305 -2.359 1.00 0.00 O ATOM 783 CB GLN A 52 34.784 -1.229 -4.148 1.00 0.00 C ATOM 784 CG GLN A 52 34.091 -1.136 -5.508 1.00 0.00 C ATOM 785 CD GLN A 52 33.518 -2.503 -5.885 1.00 0.00 C ATOM 786 OE1 GLN A 52 34.213 -3.337 -6.429 1.00 0.00 O ATOM 787 NE2 GLN A 52 32.268 -2.767 -5.618 1.00 0.00 N ATOM 0 H GLN A 52 36.911 -2.106 -4.812 1.00 0.00 H new ATOM 0 HA GLN A 52 35.853 0.574 -4.771 1.00 0.00 H new ATOM 0 HB2 GLN A 52 35.098 -2.255 -3.957 1.00 0.00 H new ATOM 0 HB3 GLN A 52 34.089 -0.955 -3.354 1.00 0.00 H new ATOM 0 HG2 GLN A 52 33.294 -0.394 -5.471 1.00 0.00 H new ATOM 0 HG3 GLN A 52 34.800 -0.805 -6.267 1.00 0.00 H new ATOM 0 HE21 GLN A 52 31.685 -2.066 -5.161 1.00 0.00 H new ATOM 0 HE22 GLN A 52 31.874 -3.675 -5.866 1.00 0.00 H new ATOM 796 N GLU A 53 36.966 -0.508 -1.914 1.00 0.00 N ATOM 797 CA GLU A 53 37.251 -0.053 -0.520 1.00 0.00 C ATOM 798 C GLU A 53 38.456 0.894 -0.513 1.00 0.00 C ATOM 799 O GLU A 53 38.472 1.886 0.190 1.00 0.00 O ATOM 800 CB GLU A 53 37.563 -1.333 0.255 1.00 0.00 C ATOM 801 CG GLU A 53 37.113 -1.178 1.709 1.00 0.00 C ATOM 802 CD GLU A 53 37.741 -2.286 2.556 1.00 0.00 C ATOM 803 OE1 GLU A 53 38.934 -2.506 2.420 1.00 0.00 O ATOM 804 OE2 GLU A 53 37.019 -2.897 3.327 1.00 0.00 O ATOM 0 H GLU A 53 37.369 -1.411 -2.165 1.00 0.00 H new ATOM 0 HA GLU A 53 36.417 0.494 -0.080 1.00 0.00 H new ATOM 0 HB2 GLU A 53 37.055 -2.181 -0.205 1.00 0.00 H new ATOM 0 HB3 GLU A 53 38.632 -1.542 0.215 1.00 0.00 H new ATOM 0 HG2 GLU A 53 37.409 -0.201 2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 53 36.026 -1.229 1.772 1.00 0.00 H new ATOM 811 N CYS A 54 39.462 0.595 -1.299 1.00 0.00 N ATOM 812 CA CYS A 54 40.671 1.478 -1.353 1.00 0.00 C ATOM 813 C CYS A 54 40.275 2.872 -1.847 1.00 0.00 C ATOM 814 O CYS A 54 40.815 3.873 -1.417 1.00 0.00 O ATOM 815 CB CYS A 54 41.619 0.804 -2.359 1.00 0.00 C ATOM 816 SG CYS A 54 43.169 1.743 -2.477 1.00 0.00 S ATOM 0 H CYS A 54 39.499 -0.223 -1.907 1.00 0.00 H new ATOM 0 HA CYS A 54 41.138 1.600 -0.376 1.00 0.00 H new ATOM 0 HB2 CYS A 54 41.827 -0.219 -2.046 1.00 0.00 H new ATOM 0 HB3 CYS A 54 41.143 0.747 -3.338 1.00 0.00 H new ATOM 821 N LEU A 55 39.333 2.935 -2.751 1.00 0.00 N ATOM 822 CA LEU A 55 38.886 4.253 -3.293 1.00 0.00 C ATOM 823 C LEU A 55 37.867 4.908 -2.353 1.00 0.00 C ATOM 824 O LEU A 55 38.040 6.032 -1.923 1.00 0.00 O ATOM 825 CB LEU A 55 38.235 3.920 -4.643 1.00 0.00 C ATOM 826 CG LEU A 55 39.197 4.234 -5.800 1.00 0.00 C ATOM 827 CD1 LEU A 55 39.556 5.722 -5.794 1.00 0.00 C ATOM 828 CD2 LEU A 55 40.475 3.398 -5.662 1.00 0.00 C ATOM 0 H LEU A 55 38.851 2.125 -3.140 1.00 0.00 H new ATOM 0 HA LEU A 55 39.712 4.957 -3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 55 37.958 2.866 -4.669 1.00 0.00 H new ATOM 0 HB3 LEU A 55 37.316 4.494 -4.761 1.00 0.00 H new ATOM 0 HG LEU A 55 38.706 3.987 -6.741 1.00 0.00 H new ATOM 0 HD11 LEU A 55 40.238 5.935 -6.617 1.00 0.00 H new ATOM 0 HD12 LEU A 55 38.649 6.316 -5.911 1.00 0.00 H new ATOM 0 HD13 LEU A 55 40.037 5.976 -4.849 1.00 0.00 H new ATOM 0 HD21 LEU A 55 41.150 3.627 -6.486 1.00 0.00 H new ATOM 0 HD22 LEU A 55 40.963 3.633 -4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 55 40.221 2.338 -5.685 1.00 0.00 H new ATOM 840 N ARG A 56 36.804 4.212 -2.041 1.00 0.00 N ATOM 841 CA ARG A 56 35.758 4.788 -1.136 1.00 0.00 C ATOM 842 C ARG A 56 36.341 5.148 0.236 1.00 0.00 C ATOM 843 O ARG A 56 35.743 5.896 0.986 1.00 0.00 O ATOM 844 CB ARG A 56 34.706 3.686 -0.992 1.00 0.00 C ATOM 845 CG ARG A 56 33.468 4.242 -0.282 1.00 0.00 C ATOM 846 CD ARG A 56 33.535 3.908 1.211 1.00 0.00 C ATOM 847 NE ARG A 56 32.625 2.742 1.381 1.00 0.00 N ATOM 848 CZ ARG A 56 32.991 1.732 2.121 1.00 0.00 C ATOM 849 NH1 ARG A 56 33.498 1.940 3.305 1.00 0.00 N ATOM 850 NH2 ARG A 56 32.851 0.514 1.676 1.00 0.00 N ATOM 0 H ARG A 56 36.613 3.267 -2.374 1.00 0.00 H new ATOM 0 HA ARG A 56 35.344 5.710 -1.544 1.00 0.00 H new ATOM 0 HB2 ARG A 56 34.431 3.302 -1.974 1.00 0.00 H new ATOM 0 HB3 ARG A 56 35.117 2.850 -0.426 1.00 0.00 H new ATOM 0 HG2 ARG A 56 33.412 5.322 -0.421 1.00 0.00 H new ATOM 0 HG3 ARG A 56 32.565 3.817 -0.719 1.00 0.00 H new ATOM 0 HD2 ARG A 56 34.552 3.664 1.516 1.00 0.00 H new ATOM 0 HD3 ARG A 56 33.214 4.753 1.820 1.00 0.00 H new ATOM 0 HE ARG A 56 31.716 2.733 0.919 1.00 0.00 H new ATOM 0 HH11 ARG A 56 33.608 2.893 3.652 1.00 0.00 H new ATOM 0 HH12 ARG A 56 33.784 1.150 3.883 1.00 0.00 H new ATOM 0 HH21 ARG A 56 32.456 0.352 0.750 1.00 0.00 H new ATOM 0 HH22 ARG A 56 33.137 -0.276 2.254 1.00 0.00 H new ATOM 864 N ALA A 57 37.493 4.621 0.576 1.00 0.00 N ATOM 865 CA ALA A 57 38.096 4.936 1.906 1.00 0.00 C ATOM 866 C ALA A 57 39.108 6.083 1.794 1.00 0.00 C ATOM 867 O ALA A 57 38.996 7.081 2.483 1.00 0.00 O ATOM 868 CB ALA A 57 38.790 3.645 2.338 1.00 0.00 C ATOM 0 H ALA A 57 38.039 3.989 -0.009 1.00 0.00 H new ATOM 0 HA ALA A 57 37.345 5.262 2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 57 39.260 3.793 3.310 1.00 0.00 H new ATOM 0 HB2 ALA A 57 38.055 2.843 2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 57 39.550 3.377 1.604 1.00 0.00 H new ATOM 874 N CYS A 58 40.097 5.950 0.943 1.00 0.00 N ATOM 875 CA CYS A 58 41.114 7.038 0.809 1.00 0.00 C ATOM 876 C CYS A 58 40.557 8.204 -0.018 1.00 0.00 C ATOM 877 O CYS A 58 40.631 9.347 0.395 1.00 0.00 O ATOM 878 CB CYS A 58 42.313 6.394 0.106 1.00 0.00 C ATOM 879 SG CYS A 58 43.825 7.305 0.535 1.00 0.00 S ATOM 0 H CYS A 58 40.243 5.141 0.340 1.00 0.00 H new ATOM 0 HA CYS A 58 41.392 7.452 1.778 1.00 0.00 H new ATOM 0 HB2 CYS A 58 42.407 5.350 0.406 1.00 0.00 H new ATOM 0 HB3 CYS A 58 42.164 6.403 -0.974 1.00 0.00 H new ATOM 884 N LYS A 59 40.001 7.933 -1.177 1.00 0.00 N ATOM 885 CA LYS A 59 39.446 9.043 -2.020 1.00 0.00 C ATOM 886 C LYS A 59 38.348 9.791 -1.256 1.00 0.00 C ATOM 887 O LYS A 59 38.164 10.981 -1.428 1.00 0.00 O ATOM 888 CB LYS A 59 38.865 8.368 -3.269 1.00 0.00 C ATOM 889 CG LYS A 59 38.726 9.404 -4.399 1.00 0.00 C ATOM 890 CD LYS A 59 39.728 9.093 -5.518 1.00 0.00 C ATOM 891 CE LYS A 59 39.777 10.260 -6.515 1.00 0.00 C ATOM 892 NZ LYS A 59 41.118 10.883 -6.321 1.00 0.00 N ATOM 0 H LYS A 59 39.908 6.998 -1.574 1.00 0.00 H new ATOM 0 HA LYS A 59 40.212 9.774 -2.280 1.00 0.00 H new ATOM 0 HB2 LYS A 59 39.513 7.552 -3.588 1.00 0.00 H new ATOM 0 HB3 LYS A 59 37.893 7.932 -3.040 1.00 0.00 H new ATOM 0 HG2 LYS A 59 37.710 9.390 -4.794 1.00 0.00 H new ATOM 0 HG3 LYS A 59 38.903 10.406 -4.009 1.00 0.00 H new ATOM 0 HD2 LYS A 59 40.718 8.923 -5.095 1.00 0.00 H new ATOM 0 HD3 LYS A 59 39.439 8.176 -6.032 1.00 0.00 H new ATOM 0 HE2 LYS A 59 39.650 9.909 -7.539 1.00 0.00 H new ATOM 0 HE3 LYS A 59 38.978 10.976 -6.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 41.224 11.689 -6.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 41.208 11.215 -5.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 41.859 10.180 -6.518 1.00 0.00 H new ATOM 906 N LYS A 60 37.621 9.101 -0.410 1.00 0.00 N ATOM 907 CA LYS A 60 36.529 9.759 0.385 1.00 0.00 C ATOM 908 C LYS A 60 35.592 10.565 -0.527 1.00 0.00 C ATOM 909 O LYS A 60 35.601 11.783 -0.520 1.00 0.00 O ATOM 910 CB LYS A 60 37.257 10.683 1.366 1.00 0.00 C ATOM 911 CG LYS A 60 36.284 11.165 2.446 1.00 0.00 C ATOM 912 CD LYS A 60 37.059 11.916 3.532 1.00 0.00 C ATOM 913 CE LYS A 60 36.420 11.648 4.897 1.00 0.00 C ATOM 914 NZ LYS A 60 37.450 12.062 5.891 1.00 0.00 N ATOM 0 H LYS A 60 37.736 8.103 -0.233 1.00 0.00 H new ATOM 0 HA LYS A 60 35.902 9.028 0.896 1.00 0.00 H new ATOM 0 HB2 LYS A 60 38.092 10.154 1.826 1.00 0.00 H new ATOM 0 HB3 LYS A 60 37.675 11.537 0.833 1.00 0.00 H new ATOM 0 HG2 LYS A 60 35.529 11.817 2.006 1.00 0.00 H new ATOM 0 HG3 LYS A 60 35.757 10.316 2.881 1.00 0.00 H new ATOM 0 HD2 LYS A 60 38.101 11.595 3.537 1.00 0.00 H new ATOM 0 HD3 LYS A 60 37.056 12.985 3.321 1.00 0.00 H new ATOM 0 HE2 LYS A 60 35.500 12.219 5.021 1.00 0.00 H new ATOM 0 HE3 LYS A 60 36.161 10.596 5.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 37.086 11.908 6.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 38.312 11.497 5.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 37.672 13.070 5.762 1.00 0.00 H new ATOM 928 N GLY A 61 34.784 9.891 -1.307 1.00 0.00 N ATOM 929 CA GLY A 61 33.842 10.607 -2.218 1.00 0.00 C ATOM 930 C GLY A 61 33.967 10.045 -3.635 1.00 0.00 C ATOM 931 O GLY A 61 33.397 8.997 -3.888 1.00 0.00 O ATOM 932 OXT GLY A 61 34.630 10.674 -4.444 1.00 0.00 O ATOM 0 H GLY A 61 34.737 8.873 -1.351 1.00 0.00 H new ATOM 0 HA2 GLY A 61 32.819 10.494 -1.861 1.00 0.00 H new ATOM 0 HA3 GLY A 61 34.063 11.674 -2.219 1.00 0.00 H new TER 936 GLY A 61