USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 737 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 30 CYS SG : rot -139:sc= 0.632 USER MOD Set 1.2: A 79 CYS SG : rot 97:sc= 3.1 USER MOD Single : A 1 GLY N :NH3+ -104:sc= 0.04 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 52:sc= 0.744 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.000568) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0131 USER MOD Single : A 17 ASN : amide:sc= -0.0586 X(o=-0.059,f=-0.077) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 162:sc= -1.57 (180deg=-2.05!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -159:sc= 0.0208 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -173:sc= -1.14 (180deg=-1.31) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.174 F(o=-0.98,f=-0.17) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0.693 K(o=0.69,f=-1.2) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 110:sc= -2.24! USER MOD Single : A 65 GLN : amide:sc=-0.00396 K(o=-0.004,f=-1.8!) USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -102:sc= -0.147 (180deg=-1.19) USER MOD Single : A 77 TYR OH : rot -22:sc= 0.366 USER MOD Single : A 81 CYS SG : rot -24:sc= -5.27! USER MOD Single : A 83 GLN : amide:sc= -1.65! C(o=-1.6!,f=-7.8!) USER MOD Single : A 86 THR OG1 : rot 150:sc= -0.373 USER MOD Single : A 87 SER OG : rot 139:sc= 0.0101 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.890 28.932 -13.399 1.00 0.00 N ATOM 2 CA GLY A 1 4.706 28.560 -12.258 1.00 0.00 C ATOM 3 C GLY A 1 3.922 28.553 -10.961 1.00 0.00 C ATOM 4 O GLY A 1 2.903 29.233 -10.841 1.00 0.00 O ATOM 0 H1 GLY A 1 3.661 28.083 -13.954 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.010 29.376 -13.067 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.413 29.604 -13.996 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.131 27.571 -12.427 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.541 29.255 -12.170 1.00 0.00 H new ATOM 8 N SER A 2 4.397 27.783 -9.988 1.00 0.00 N ATOM 9 CA SER A 2 3.731 27.687 -8.695 1.00 0.00 C ATOM 10 C SER A 2 4.013 28.921 -7.844 1.00 0.00 C ATOM 11 O SER A 2 3.094 29.625 -7.427 1.00 0.00 O ATOM 12 CB SER A 2 4.187 26.428 -7.954 1.00 0.00 C ATOM 13 OG SER A 2 3.455 26.248 -6.754 1.00 0.00 O ATOM 0 H SER A 2 5.241 27.216 -10.071 1.00 0.00 H new ATOM 0 HA SER A 2 2.657 27.627 -8.872 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.057 25.557 -8.597 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.251 26.501 -7.727 1.00 0.00 H new ATOM 0 HG SER A 2 3.764 25.436 -6.301 1.00 0.00 H new ATOM 19 N SER A 3 5.293 29.178 -7.591 1.00 0.00 N ATOM 20 CA SER A 3 5.698 30.325 -6.788 1.00 0.00 C ATOM 21 C SER A 3 4.770 30.505 -5.591 1.00 0.00 C ATOM 22 O SER A 3 4.357 31.620 -5.273 1.00 0.00 O ATOM 23 CB SER A 3 5.702 31.596 -7.640 1.00 0.00 C ATOM 24 OG SER A 3 4.388 32.097 -7.815 1.00 0.00 O ATOM 0 H SER A 3 6.067 28.607 -7.931 1.00 0.00 H new ATOM 0 HA SER A 3 6.707 30.140 -6.419 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.323 32.355 -7.164 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.146 31.384 -8.613 1.00 0.00 H new ATOM 0 HG SER A 3 3.953 32.187 -6.941 1.00 0.00 H new ATOM 30 N GLY A 4 4.445 29.398 -4.930 1.00 0.00 N ATOM 31 CA GLY A 4 3.568 29.454 -3.775 1.00 0.00 C ATOM 32 C GLY A 4 4.257 29.007 -2.501 1.00 0.00 C ATOM 33 O GLY A 4 5.432 28.641 -2.519 1.00 0.00 O ATOM 0 H GLY A 4 4.773 28.464 -5.174 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.204 30.473 -3.649 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.697 28.824 -3.953 1.00 0.00 H new ATOM 37 N SER A 5 3.525 29.039 -1.392 1.00 0.00 N ATOM 38 CA SER A 5 4.075 28.640 -0.102 1.00 0.00 C ATOM 39 C SER A 5 3.714 27.192 0.218 1.00 0.00 C ATOM 40 O SER A 5 4.572 26.398 0.602 1.00 0.00 O ATOM 41 CB SER A 5 3.558 29.562 1.004 1.00 0.00 C ATOM 42 OG SER A 5 4.265 29.353 2.215 1.00 0.00 O ATOM 0 H SER A 5 2.550 29.337 -1.361 1.00 0.00 H new ATOM 0 HA SER A 5 5.160 28.723 -0.157 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.662 30.602 0.693 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.495 29.382 1.164 1.00 0.00 H new ATOM 0 HG SER A 5 3.917 29.955 2.905 1.00 0.00 H new ATOM 48 N SER A 6 2.438 26.857 0.056 1.00 0.00 N ATOM 49 CA SER A 6 1.962 25.507 0.330 1.00 0.00 C ATOM 50 C SER A 6 2.530 24.514 -0.679 1.00 0.00 C ATOM 51 O SER A 6 2.601 24.799 -1.874 1.00 0.00 O ATOM 52 CB SER A 6 0.433 25.466 0.297 1.00 0.00 C ATOM 53 OG SER A 6 -0.047 24.148 0.498 1.00 0.00 O ATOM 0 H SER A 6 1.716 27.502 -0.264 1.00 0.00 H new ATOM 0 HA SER A 6 2.305 25.223 1.325 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.032 26.124 1.068 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.077 25.844 -0.661 1.00 0.00 H new ATOM 0 HG SER A 6 -1.027 24.149 0.474 1.00 0.00 H new ATOM 59 N GLY A 7 2.935 23.347 -0.189 1.00 0.00 N ATOM 60 CA GLY A 7 3.493 22.329 -1.060 1.00 0.00 C ATOM 61 C GLY A 7 2.679 21.050 -1.052 1.00 0.00 C ATOM 62 O GLY A 7 2.136 20.641 -0.026 1.00 0.00 O ATOM 0 H GLY A 7 2.887 23.088 0.796 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.547 22.716 -2.078 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.514 22.108 -0.748 1.00 0.00 H new ATOM 66 N PRO A 8 2.586 20.396 -2.220 1.00 0.00 N ATOM 67 CA PRO A 8 1.834 19.147 -2.369 1.00 0.00 C ATOM 68 C PRO A 8 2.504 17.978 -1.655 1.00 0.00 C ATOM 69 O PRO A 8 3.633 18.093 -1.181 1.00 0.00 O ATOM 70 CB PRO A 8 1.827 18.916 -3.883 1.00 0.00 C ATOM 71 CG PRO A 8 3.035 19.631 -4.380 1.00 0.00 C ATOM 72 CD PRO A 8 3.209 20.825 -3.483 1.00 0.00 C ATOM 0 HA PRO A 8 0.839 19.215 -1.930 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.870 17.853 -4.122 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.918 19.309 -4.339 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.913 18.985 -4.345 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.907 19.938 -5.418 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.261 21.076 -3.347 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.721 21.709 -3.892 1.00 0.00 H new ATOM 80 N ALA A 9 1.800 16.852 -1.584 1.00 0.00 N ATOM 81 CA ALA A 9 2.328 15.661 -0.930 1.00 0.00 C ATOM 82 C ALA A 9 3.154 14.823 -1.900 1.00 0.00 C ATOM 83 O ALA A 9 2.627 14.275 -2.868 1.00 0.00 O ATOM 84 CB ALA A 9 1.194 14.832 -0.347 1.00 0.00 C ATOM 0 H ALA A 9 0.863 16.740 -1.971 1.00 0.00 H new ATOM 0 HA ALA A 9 2.982 15.982 -0.119 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.603 13.946 0.138 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.648 15.427 0.385 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.517 14.528 -1.146 1.00 0.00 H new ATOM 90 N LYS A 10 4.453 14.728 -1.635 1.00 0.00 N ATOM 91 CA LYS A 10 5.353 13.957 -2.484 1.00 0.00 C ATOM 92 C LYS A 10 5.879 12.731 -1.745 1.00 0.00 C ATOM 93 O LYS A 10 6.278 12.817 -0.583 1.00 0.00 O ATOM 94 CB LYS A 10 6.523 14.828 -2.946 1.00 0.00 C ATOM 95 CG LYS A 10 6.103 15.996 -3.822 1.00 0.00 C ATOM 96 CD LYS A 10 7.275 16.544 -4.619 1.00 0.00 C ATOM 97 CE LYS A 10 7.002 17.959 -5.109 1.00 0.00 C ATOM 98 NZ LYS A 10 7.205 18.967 -4.032 1.00 0.00 N ATOM 0 H LYS A 10 4.906 15.176 -0.838 1.00 0.00 H new ATOM 0 HA LYS A 10 4.792 13.622 -3.356 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.047 15.211 -2.071 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.231 14.208 -3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.316 15.676 -4.504 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.683 16.786 -3.200 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.172 16.539 -4.000 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.473 15.894 -5.472 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.660 18.186 -5.948 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.979 18.024 -5.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.622 19.806 -4.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.928 18.558 -3.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.207 19.243 -3.999 1.00 0.00 H new ATOM 112 N PHE A 11 5.880 11.590 -2.427 1.00 0.00 N ATOM 113 CA PHE A 11 6.358 10.346 -1.835 1.00 0.00 C ATOM 114 C PHE A 11 7.825 10.464 -1.433 1.00 0.00 C ATOM 115 O PHE A 11 8.683 10.787 -2.256 1.00 0.00 O ATOM 116 CB PHE A 11 6.178 9.187 -2.818 1.00 0.00 C ATOM 117 CG PHE A 11 4.742 8.806 -3.039 1.00 0.00 C ATOM 118 CD1 PHE A 11 3.959 9.504 -3.945 1.00 0.00 C ATOM 119 CD2 PHE A 11 4.176 7.751 -2.343 1.00 0.00 C ATOM 120 CE1 PHE A 11 2.637 9.156 -4.150 1.00 0.00 C ATOM 121 CE2 PHE A 11 2.855 7.398 -2.545 1.00 0.00 C ATOM 122 CZ PHE A 11 2.085 8.101 -3.450 1.00 0.00 C ATOM 0 H PHE A 11 5.555 11.501 -3.390 1.00 0.00 H new ATOM 0 HA PHE A 11 5.769 10.148 -0.939 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.625 9.459 -3.774 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.723 8.319 -2.447 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.386 10.328 -4.497 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.774 7.198 -1.634 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.036 9.709 -4.857 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.426 6.573 -1.996 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.053 7.826 -3.610 1.00 0.00 H new ATOM 132 N THR A 12 8.107 10.200 -0.161 1.00 0.00 N ATOM 133 CA THR A 12 9.469 10.277 0.352 1.00 0.00 C ATOM 134 C THR A 12 10.153 8.916 0.306 1.00 0.00 C ATOM 135 O THR A 12 11.328 8.813 -0.044 1.00 0.00 O ATOM 136 CB THR A 12 9.495 10.804 1.800 1.00 0.00 C ATOM 137 OG1 THR A 12 8.786 9.905 2.660 1.00 0.00 O ATOM 138 CG2 THR A 12 8.874 12.190 1.883 1.00 0.00 C ATOM 0 H THR A 12 7.410 9.931 0.533 1.00 0.00 H new ATOM 0 HA THR A 12 10.009 10.973 -0.290 1.00 0.00 H new ATOM 0 HB THR A 12 10.534 10.870 2.121 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.808 10.245 3.579 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.904 12.541 2.915 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.434 12.878 1.249 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.839 12.146 1.545 1.00 0.00 H new ATOM 146 N GLU A 13 9.409 7.873 0.662 1.00 0.00 N ATOM 147 CA GLU A 13 9.945 6.517 0.661 1.00 0.00 C ATOM 148 C GLU A 13 9.517 5.764 -0.596 1.00 0.00 C ATOM 149 O GLU A 13 10.324 5.086 -1.231 1.00 0.00 O ATOM 150 CB GLU A 13 9.479 5.759 1.906 1.00 0.00 C ATOM 151 CG GLU A 13 10.006 6.342 3.206 1.00 0.00 C ATOM 152 CD GLU A 13 11.421 5.893 3.515 1.00 0.00 C ATOM 153 OE1 GLU A 13 11.629 4.676 3.704 1.00 0.00 O ATOM 154 OE2 GLU A 13 12.320 6.758 3.568 1.00 0.00 O ATOM 0 H GLU A 13 8.434 7.941 0.954 1.00 0.00 H new ATOM 0 HA GLU A 13 11.033 6.584 0.671 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.389 5.758 1.934 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.797 4.719 1.828 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.978 7.430 3.150 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.349 6.048 4.024 1.00 0.00 H new ATOM 161 N GLY A 14 8.241 5.889 -0.948 1.00 0.00 N ATOM 162 CA GLY A 14 7.728 5.214 -2.127 1.00 0.00 C ATOM 163 C GLY A 14 7.487 3.737 -1.890 1.00 0.00 C ATOM 164 O GLY A 14 7.983 3.167 -0.917 1.00 0.00 O ATOM 0 H GLY A 14 7.554 6.445 -0.439 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.795 5.686 -2.435 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.434 5.337 -2.948 1.00 0.00 H new ATOM 168 N LEU A 15 6.721 3.114 -2.779 1.00 0.00 N ATOM 169 CA LEU A 15 6.413 1.693 -2.662 1.00 0.00 C ATOM 170 C LEU A 15 7.670 0.847 -2.836 1.00 0.00 C ATOM 171 O LEU A 15 8.720 1.352 -3.233 1.00 0.00 O ATOM 172 CB LEU A 15 5.365 1.291 -3.702 1.00 0.00 C ATOM 173 CG LEU A 15 3.929 1.729 -3.413 1.00 0.00 C ATOM 174 CD1 LEU A 15 3.038 1.466 -4.617 1.00 0.00 C ATOM 175 CD2 LEU A 15 3.391 1.013 -2.182 1.00 0.00 C ATOM 0 H LEU A 15 6.302 3.571 -3.589 1.00 0.00 H new ATOM 0 HA LEU A 15 6.013 1.514 -1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.662 1.704 -4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.379 0.206 -3.802 1.00 0.00 H new ATOM 0 HG LEU A 15 3.929 2.801 -3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.020 1.784 -4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.412 2.024 -5.475 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.043 0.401 -4.847 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.368 1.337 -1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.405 -0.064 -2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.014 1.252 -1.320 1.00 0.00 H new ATOM 187 N ARG A 16 7.555 -0.443 -2.538 1.00 0.00 N ATOM 188 CA ARG A 16 8.682 -1.359 -2.662 1.00 0.00 C ATOM 189 C ARG A 16 8.201 -2.771 -2.987 1.00 0.00 C ATOM 190 O ARG A 16 7.038 -3.106 -2.770 1.00 0.00 O ATOM 191 CB ARG A 16 9.501 -1.372 -1.371 1.00 0.00 C ATOM 192 CG ARG A 16 8.727 -1.875 -0.163 1.00 0.00 C ATOM 193 CD ARG A 16 7.962 -0.750 0.516 1.00 0.00 C ATOM 194 NE ARG A 16 8.856 0.268 1.062 1.00 0.00 N ATOM 195 CZ ARG A 16 8.432 1.396 1.621 1.00 0.00 C ATOM 196 NH1 ARG A 16 7.133 1.649 1.707 1.00 0.00 N ATOM 197 NH2 ARG A 16 9.307 2.273 2.095 1.00 0.00 N ATOM 0 H ARG A 16 6.693 -0.877 -2.209 1.00 0.00 H new ATOM 0 HA ARG A 16 9.313 -1.011 -3.480 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.381 -1.999 -1.515 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.859 -0.363 -1.168 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.031 -2.654 -0.474 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.416 -2.329 0.549 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.283 -0.289 -0.201 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.348 -1.161 1.318 1.00 0.00 H new ATOM 0 HE ARG A 16 9.861 0.104 1.011 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.457 0.977 1.344 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.810 2.516 2.137 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.307 2.082 2.030 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.980 3.139 2.524 1.00 0.00 H new ATOM 211 N ASN A 17 9.106 -3.593 -3.508 1.00 0.00 N ATOM 212 CA ASN A 17 8.774 -4.968 -3.864 1.00 0.00 C ATOM 213 C ASN A 17 8.825 -5.874 -2.637 1.00 0.00 C ATOM 214 O ASN A 17 9.700 -5.732 -1.784 1.00 0.00 O ATOM 215 CB ASN A 17 9.737 -5.486 -4.934 1.00 0.00 C ATOM 216 CG ASN A 17 11.132 -5.726 -4.390 1.00 0.00 C ATOM 217 OD1 ASN A 17 11.950 -4.808 -4.321 1.00 0.00 O ATOM 218 ND2 ASN A 17 11.410 -6.965 -4.001 1.00 0.00 N ATOM 0 H ASN A 17 10.074 -3.331 -3.693 1.00 0.00 H new ATOM 0 HA ASN A 17 7.759 -4.980 -4.261 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.348 -6.415 -5.350 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.788 -4.767 -5.752 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.333 -7.187 -3.627 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.701 -7.694 -4.076 1.00 0.00 H new ATOM 225 N GLU A 18 7.880 -6.806 -2.558 1.00 0.00 N ATOM 226 CA GLU A 18 7.817 -7.735 -1.435 1.00 0.00 C ATOM 227 C GLU A 18 7.287 -9.094 -1.883 1.00 0.00 C ATOM 228 O GLU A 18 6.834 -9.252 -3.016 1.00 0.00 O ATOM 229 CB GLU A 18 6.928 -7.169 -0.325 1.00 0.00 C ATOM 230 CG GLU A 18 5.462 -7.072 -0.710 1.00 0.00 C ATOM 231 CD GLU A 18 5.223 -6.114 -1.862 1.00 0.00 C ATOM 232 OE1 GLU A 18 5.955 -5.106 -1.955 1.00 0.00 O ATOM 233 OE2 GLU A 18 4.306 -6.372 -2.669 1.00 0.00 O ATOM 0 H GLU A 18 7.149 -6.938 -3.257 1.00 0.00 H new ATOM 0 HA GLU A 18 8.828 -7.867 -1.049 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.022 -7.798 0.560 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.290 -6.178 -0.051 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.096 -8.062 -0.983 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.884 -6.746 0.155 1.00 0.00 H new ATOM 240 N GLU A 19 7.348 -10.072 -0.985 1.00 0.00 N ATOM 241 CA GLU A 19 6.876 -11.418 -1.288 1.00 0.00 C ATOM 242 C GLU A 19 5.730 -11.814 -0.362 1.00 0.00 C ATOM 243 O GLU A 19 5.545 -11.223 0.701 1.00 0.00 O ATOM 244 CB GLU A 19 8.021 -12.425 -1.161 1.00 0.00 C ATOM 245 CG GLU A 19 9.005 -12.378 -2.318 1.00 0.00 C ATOM 246 CD GLU A 19 10.331 -13.033 -1.984 1.00 0.00 C ATOM 247 OE1 GLU A 19 10.441 -14.266 -2.148 1.00 0.00 O ATOM 248 OE2 GLU A 19 11.258 -12.313 -1.558 1.00 0.00 O ATOM 0 H GLU A 19 7.720 -9.958 -0.042 1.00 0.00 H new ATOM 0 HA GLU A 19 6.509 -11.424 -2.314 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.558 -12.237 -0.231 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.604 -13.430 -1.091 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.566 -12.875 -3.183 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.178 -11.340 -2.601 1.00 0.00 H new ATOM 255 N ALA A 20 4.964 -12.819 -0.774 1.00 0.00 N ATOM 256 CA ALA A 20 3.837 -13.296 0.018 1.00 0.00 C ATOM 257 C ALA A 20 3.385 -14.676 -0.446 1.00 0.00 C ATOM 258 O ALA A 20 3.878 -15.199 -1.445 1.00 0.00 O ATOM 259 CB ALA A 20 2.684 -12.307 -0.057 1.00 0.00 C ATOM 0 H ALA A 20 5.104 -13.319 -1.652 1.00 0.00 H new ATOM 0 HA ALA A 20 4.162 -13.380 1.055 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.849 -12.676 0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.008 -11.341 0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.368 -12.195 -1.094 1.00 0.00 H new ATOM 265 N VAL A 21 2.444 -15.262 0.287 1.00 0.00 N ATOM 266 CA VAL A 21 1.924 -16.582 -0.049 1.00 0.00 C ATOM 267 C VAL A 21 0.452 -16.510 -0.440 1.00 0.00 C ATOM 268 O VAL A 21 -0.291 -15.664 0.056 1.00 0.00 O ATOM 269 CB VAL A 21 2.084 -17.565 1.126 1.00 0.00 C ATOM 270 CG1 VAL A 21 1.492 -18.921 0.773 1.00 0.00 C ATOM 271 CG2 VAL A 21 3.550 -17.699 1.512 1.00 0.00 C ATOM 0 H VAL A 21 2.026 -14.843 1.118 1.00 0.00 H new ATOM 0 HA VAL A 21 2.505 -16.944 -0.897 1.00 0.00 H new ATOM 0 HB VAL A 21 1.540 -17.170 1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.615 -19.602 1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.431 -18.808 0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.005 -19.326 -0.099 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.645 -18.397 2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.118 -18.071 0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.938 -16.725 1.810 1.00 0.00 H new ATOM 281 N GLU A 22 0.038 -17.404 -1.333 1.00 0.00 N ATOM 282 CA GLU A 22 -1.346 -17.442 -1.790 1.00 0.00 C ATOM 283 C GLU A 22 -2.309 -17.471 -0.608 1.00 0.00 C ATOM 284 O GLU A 22 -2.110 -18.215 0.351 1.00 0.00 O ATOM 285 CB GLU A 22 -1.579 -18.663 -2.682 1.00 0.00 C ATOM 286 CG GLU A 22 -1.255 -18.418 -4.147 1.00 0.00 C ATOM 287 CD GLU A 22 -1.906 -19.433 -5.066 1.00 0.00 C ATOM 288 OE1 GLU A 22 -3.107 -19.719 -4.879 1.00 0.00 O ATOM 289 OE2 GLU A 22 -1.214 -19.941 -5.973 1.00 0.00 O ATOM 0 H GLU A 22 0.641 -18.111 -1.754 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.535 -16.537 -2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.970 -19.490 -2.317 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.621 -18.972 -2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.585 -17.417 -4.426 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.174 -18.448 -4.286 1.00 0.00 H new ATOM 296 N GLY A 23 -3.355 -16.653 -0.683 1.00 0.00 N ATOM 297 CA GLY A 23 -4.334 -16.600 0.387 1.00 0.00 C ATOM 298 C GLY A 23 -3.979 -15.575 1.447 1.00 0.00 C ATOM 299 O GLY A 23 -4.851 -14.874 1.959 1.00 0.00 O ATOM 0 H GLY A 23 -3.542 -16.026 -1.466 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.312 -16.362 -0.031 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.416 -17.584 0.850 1.00 0.00 H new ATOM 303 N ALA A 24 -2.695 -15.490 1.778 1.00 0.00 N ATOM 304 CA ALA A 24 -2.227 -14.544 2.783 1.00 0.00 C ATOM 305 C ALA A 24 -2.727 -13.134 2.486 1.00 0.00 C ATOM 306 O ALA A 24 -3.396 -12.901 1.479 1.00 0.00 O ATOM 307 CB ALA A 24 -0.707 -14.562 2.858 1.00 0.00 C ATOM 0 H ALA A 24 -1.961 -16.065 1.365 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.631 -14.849 3.748 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.372 -13.851 3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.368 -15.563 3.126 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.292 -14.286 1.889 1.00 0.00 H new ATOM 313 N THR A 25 -2.398 -12.196 3.369 1.00 0.00 N ATOM 314 CA THR A 25 -2.816 -10.810 3.202 1.00 0.00 C ATOM 315 C THR A 25 -1.614 -9.894 2.999 1.00 0.00 C ATOM 316 O THR A 25 -1.012 -9.421 3.963 1.00 0.00 O ATOM 317 CB THR A 25 -3.623 -10.316 4.417 1.00 0.00 C ATOM 318 OG1 THR A 25 -4.792 -11.125 4.590 1.00 0.00 O ATOM 319 CG2 THR A 25 -4.030 -8.861 4.241 1.00 0.00 C ATOM 0 H THR A 25 -1.843 -12.371 4.207 1.00 0.00 H new ATOM 0 HA THR A 25 -3.450 -10.776 2.316 1.00 0.00 H new ATOM 0 HB THR A 25 -2.991 -10.396 5.302 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.299 -10.806 5.366 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.599 -8.534 5.112 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.138 -8.243 4.138 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.646 -8.761 3.347 1.00 0.00 H new ATOM 327 N ALA A 26 -1.269 -9.648 1.739 1.00 0.00 N ATOM 328 CA ALA A 26 -0.140 -8.787 1.410 1.00 0.00 C ATOM 329 C ALA A 26 -0.120 -7.546 2.296 1.00 0.00 C ATOM 330 O ALA A 26 -1.106 -7.231 2.962 1.00 0.00 O ATOM 331 CB ALA A 26 -0.190 -8.389 -0.057 1.00 0.00 C ATOM 0 H ALA A 26 -1.756 -10.033 0.929 1.00 0.00 H new ATOM 0 HA ALA A 26 0.777 -9.347 1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.659 -7.746 -0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.148 -9.284 -0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.117 -7.852 -0.257 1.00 0.00 H new ATOM 337 N MET A 27 1.010 -6.846 2.301 1.00 0.00 N ATOM 338 CA MET A 27 1.157 -5.639 3.105 1.00 0.00 C ATOM 339 C MET A 27 2.009 -4.602 2.380 1.00 0.00 C ATOM 340 O MET A 27 3.217 -4.781 2.217 1.00 0.00 O ATOM 341 CB MET A 27 1.785 -5.976 4.459 1.00 0.00 C ATOM 342 CG MET A 27 1.929 -4.774 5.378 1.00 0.00 C ATOM 343 SD MET A 27 0.379 -4.325 6.183 1.00 0.00 S ATOM 344 CE MET A 27 -0.149 -2.953 5.159 1.00 0.00 C ATOM 0 H MET A 27 1.837 -7.094 1.757 1.00 0.00 H new ATOM 0 HA MET A 27 0.165 -5.218 3.267 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.175 -6.731 4.955 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.768 -6.417 4.295 1.00 0.00 H new ATOM 0 HG2 MET A 27 2.679 -4.991 6.138 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.295 -3.923 4.803 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.213 -2.772 5.314 1.00 0.00 H new ATOM 0 HE2 MET A 27 0.414 -2.060 5.429 1.00 0.00 H new ATOM 0 HE3 MET A 27 0.030 -3.192 4.111 1.00 0.00 H new ATOM 354 N LEU A 28 1.374 -3.519 1.947 1.00 0.00 N ATOM 355 CA LEU A 28 2.074 -2.454 1.238 1.00 0.00 C ATOM 356 C LEU A 28 1.841 -1.106 1.913 1.00 0.00 C ATOM 357 O LEU A 28 0.702 -0.724 2.182 1.00 0.00 O ATOM 358 CB LEU A 28 1.612 -2.394 -0.219 1.00 0.00 C ATOM 359 CG LEU A 28 1.994 -3.588 -1.094 1.00 0.00 C ATOM 360 CD1 LEU A 28 0.988 -3.768 -2.220 1.00 0.00 C ATOM 361 CD2 LEU A 28 3.398 -3.412 -1.654 1.00 0.00 C ATOM 0 H LEU A 28 0.375 -3.355 2.074 1.00 0.00 H new ATOM 0 HA LEU A 28 3.141 -2.674 1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.527 -2.293 -0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.022 -1.491 -0.672 1.00 0.00 H new ATOM 0 HG LEU A 28 1.981 -4.486 -0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.276 -4.622 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.002 -3.941 -1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.968 -2.870 -2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.653 -4.271 -2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.438 -2.505 -2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.110 -3.334 -0.833 1.00 0.00 H new ATOM 373 N TRP A 29 2.927 -0.390 2.182 1.00 0.00 N ATOM 374 CA TRP A 29 2.840 0.917 2.823 1.00 0.00 C ATOM 375 C TRP A 29 3.734 1.931 2.117 1.00 0.00 C ATOM 376 O TRP A 29 4.611 1.560 1.337 1.00 0.00 O ATOM 377 CB TRP A 29 3.234 0.811 4.298 1.00 0.00 C ATOM 378 CG TRP A 29 4.682 0.484 4.504 1.00 0.00 C ATOM 379 CD1 TRP A 29 5.239 -0.762 4.570 1.00 0.00 C ATOM 380 CD2 TRP A 29 5.756 1.415 4.672 1.00 0.00 C ATOM 381 NE1 TRP A 29 6.594 -0.660 4.769 1.00 0.00 N ATOM 382 CE2 TRP A 29 6.937 0.665 4.835 1.00 0.00 C ATOM 383 CE3 TRP A 29 5.835 2.810 4.699 1.00 0.00 C ATOM 384 CZ2 TRP A 29 8.179 1.264 5.023 1.00 0.00 C ATOM 385 CZ3 TRP A 29 7.069 3.403 4.886 1.00 0.00 C ATOM 386 CH2 TRP A 29 8.228 2.631 5.045 1.00 0.00 C ATOM 0 H TRP A 29 3.877 -0.692 1.966 1.00 0.00 H new ATOM 0 HA TRP A 29 1.808 1.260 2.753 1.00 0.00 H new ATOM 0 HB2 TRP A 29 3.007 1.754 4.796 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.624 0.044 4.775 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.694 -1.690 4.479 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.241 -1.444 4.854 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.948 3.414 4.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 9.073 0.671 5.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.142 4.480 4.910 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.178 3.125 5.188 1.00 0.00 H new ATOM 397 N CYS A 30 3.505 3.209 2.396 1.00 0.00 N ATOM 398 CA CYS A 30 4.290 4.277 1.786 1.00 0.00 C ATOM 399 C CYS A 30 4.107 5.588 2.543 1.00 0.00 C ATOM 400 O CYS A 30 3.020 5.881 3.040 1.00 0.00 O ATOM 401 CB CYS A 30 3.890 4.459 0.321 1.00 0.00 C ATOM 402 SG CYS A 30 2.176 4.983 0.084 1.00 0.00 S ATOM 0 H CYS A 30 2.783 3.531 3.040 1.00 0.00 H new ATOM 0 HA CYS A 30 5.342 3.995 1.836 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.551 5.196 -0.136 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.048 3.519 -0.207 1.00 0.00 H new ATOM 0 HG CYS A 30 1.664 4.349 -0.929 1.00 0.00 H new ATOM 408 N GLU A 31 5.177 6.372 2.627 1.00 0.00 N ATOM 409 CA GLU A 31 5.133 7.651 3.327 1.00 0.00 C ATOM 410 C GLU A 31 4.995 8.806 2.340 1.00 0.00 C ATOM 411 O GLU A 31 5.247 8.650 1.144 1.00 0.00 O ATOM 412 CB GLU A 31 6.393 7.837 4.174 1.00 0.00 C ATOM 413 CG GLU A 31 6.275 7.264 5.576 1.00 0.00 C ATOM 414 CD GLU A 31 7.605 7.220 6.303 1.00 0.00 C ATOM 415 OE1 GLU A 31 8.072 8.288 6.749 1.00 0.00 O ATOM 416 OE2 GLU A 31 8.179 6.117 6.425 1.00 0.00 O ATOM 0 H GLU A 31 6.084 6.145 2.220 1.00 0.00 H new ATOM 0 HA GLU A 31 4.261 7.649 3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.234 7.364 3.667 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.620 8.901 4.243 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.570 7.864 6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.863 6.256 5.519 1.00 0.00 H new ATOM 423 N LEU A 32 4.592 9.965 2.848 1.00 0.00 N ATOM 424 CA LEU A 32 4.419 11.149 2.012 1.00 0.00 C ATOM 425 C LEU A 32 4.844 12.409 2.758 1.00 0.00 C ATOM 426 O LEU A 32 4.765 12.472 3.985 1.00 0.00 O ATOM 427 CB LEU A 32 2.962 11.273 1.565 1.00 0.00 C ATOM 428 CG LEU A 32 2.307 9.992 1.046 1.00 0.00 C ATOM 429 CD1 LEU A 32 0.812 10.007 1.323 1.00 0.00 C ATOM 430 CD2 LEU A 32 2.575 9.822 -0.442 1.00 0.00 C ATOM 0 H LEU A 32 4.379 10.111 3.835 1.00 0.00 H new ATOM 0 HA LEU A 32 5.054 11.039 1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.375 11.642 2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.906 12.029 0.781 1.00 0.00 H new ATOM 0 HG LEU A 32 2.744 9.143 1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.363 9.088 0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.642 10.081 2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.358 10.863 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.102 8.906 -0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.166 10.674 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.650 9.765 -0.614 1.00 0.00 H new ATOM 442 N SER A 33 5.291 13.412 2.009 1.00 0.00 N ATOM 443 CA SER A 33 5.730 14.671 2.600 1.00 0.00 C ATOM 444 C SER A 33 4.746 15.142 3.667 1.00 0.00 C ATOM 445 O SER A 33 5.137 15.752 4.663 1.00 0.00 O ATOM 446 CB SER A 33 5.877 15.742 1.518 1.00 0.00 C ATOM 447 OG SER A 33 6.152 17.010 2.089 1.00 0.00 O ATOM 0 H SER A 33 5.359 13.377 0.992 1.00 0.00 H new ATOM 0 HA SER A 33 6.699 14.505 3.071 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.680 15.465 0.835 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.962 15.796 0.929 1.00 0.00 H new ATOM 0 HG SER A 33 6.243 17.677 1.377 1.00 0.00 H new ATOM 453 N LYS A 34 3.467 14.853 3.453 1.00 0.00 N ATOM 454 CA LYS A 34 2.426 15.244 4.395 1.00 0.00 C ATOM 455 C LYS A 34 1.227 14.306 4.302 1.00 0.00 C ATOM 456 O LYS A 34 1.068 13.581 3.319 1.00 0.00 O ATOM 457 CB LYS A 34 1.981 16.684 4.127 1.00 0.00 C ATOM 458 CG LYS A 34 1.547 16.930 2.692 1.00 0.00 C ATOM 459 CD LYS A 34 1.336 18.409 2.419 1.00 0.00 C ATOM 460 CE LYS A 34 0.297 18.632 1.331 1.00 0.00 C ATOM 461 NZ LYS A 34 -0.436 19.915 1.518 1.00 0.00 N ATOM 0 H LYS A 34 3.127 14.349 2.634 1.00 0.00 H new ATOM 0 HA LYS A 34 2.839 15.179 5.401 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.155 16.930 4.795 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.801 17.360 4.371 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.302 16.537 2.010 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.623 16.387 2.492 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.018 18.907 3.335 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.281 18.863 2.120 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.786 18.632 0.357 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.413 17.805 1.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.340 19.876 1.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.618 20.066 2.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.138 20.700 1.149 1.00 0.00 H new ATOM 475 N VAL A 35 0.385 14.325 5.330 1.00 0.00 N ATOM 476 CA VAL A 35 -0.801 13.477 5.363 1.00 0.00 C ATOM 477 C VAL A 35 -1.809 13.901 4.300 1.00 0.00 C ATOM 478 O VAL A 35 -2.407 14.973 4.390 1.00 0.00 O ATOM 479 CB VAL A 35 -1.481 13.516 6.744 1.00 0.00 C ATOM 480 CG1 VAL A 35 -2.585 12.472 6.826 1.00 0.00 C ATOM 481 CG2 VAL A 35 -0.456 13.307 7.848 1.00 0.00 C ATOM 0 H VAL A 35 0.502 14.918 6.151 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.468 12.459 5.159 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.933 14.499 6.880 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.054 12.515 7.809 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.333 12.672 6.058 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.160 11.480 6.669 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.954 13.338 8.817 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.026 12.338 7.718 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.295 14.095 7.801 1.00 0.00 H new ATOM 491 N ALA A 36 -1.993 13.052 3.294 1.00 0.00 N ATOM 492 CA ALA A 36 -2.930 13.337 2.215 1.00 0.00 C ATOM 493 C ALA A 36 -3.647 12.070 1.762 1.00 0.00 C ATOM 494 O ALA A 36 -3.186 10.951 1.990 1.00 0.00 O ATOM 495 CB ALA A 36 -2.206 13.984 1.044 1.00 0.00 C ATOM 0 H ALA A 36 -1.505 12.161 3.204 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.680 14.032 2.592 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.918 14.191 0.245 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.746 14.917 1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.434 13.308 0.675 1.00 0.00 H new ATOM 501 N PRO A 37 -4.803 12.246 1.105 1.00 0.00 N ATOM 502 CA PRO A 37 -5.608 11.127 0.606 1.00 0.00 C ATOM 503 C PRO A 37 -4.941 10.408 -0.562 1.00 0.00 C ATOM 504 O PRO A 37 -4.756 10.983 -1.634 1.00 0.00 O ATOM 505 CB PRO A 37 -6.905 11.800 0.149 1.00 0.00 C ATOM 506 CG PRO A 37 -6.514 13.203 -0.165 1.00 0.00 C ATOM 507 CD PRO A 37 -5.413 13.550 0.798 1.00 0.00 C ATOM 0 HA PRO A 37 -5.754 10.359 1.366 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.323 11.301 -0.725 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.665 11.766 0.930 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.173 13.292 -1.196 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.361 13.879 -0.050 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.692 14.236 0.353 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.801 14.033 1.695 1.00 0.00 H new ATOM 515 N VAL A 38 -4.582 9.146 -0.346 1.00 0.00 N ATOM 516 CA VAL A 38 -3.936 8.348 -1.382 1.00 0.00 C ATOM 517 C VAL A 38 -4.935 7.417 -2.060 1.00 0.00 C ATOM 518 O VAL A 38 -5.994 7.121 -1.509 1.00 0.00 O ATOM 519 CB VAL A 38 -2.779 7.510 -0.805 1.00 0.00 C ATOM 520 CG1 VAL A 38 -1.618 8.408 -0.405 1.00 0.00 C ATOM 521 CG2 VAL A 38 -3.259 6.685 0.379 1.00 0.00 C ATOM 0 H VAL A 38 -4.727 8.655 0.536 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.537 9.046 -2.118 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.428 6.825 -1.577 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.810 7.799 0.000 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.260 8.951 -1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.951 9.119 0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.429 6.099 0.774 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.637 7.349 1.156 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.055 6.014 0.056 1.00 0.00 H new ATOM 531 N GLU A 39 -4.588 6.958 -3.258 1.00 0.00 N ATOM 532 CA GLU A 39 -5.455 6.059 -4.012 1.00 0.00 C ATOM 533 C GLU A 39 -4.662 4.884 -4.576 1.00 0.00 C ATOM 534 O GLU A 39 -3.933 5.028 -5.558 1.00 0.00 O ATOM 535 CB GLU A 39 -6.146 6.816 -5.148 1.00 0.00 C ATOM 536 CG GLU A 39 -6.922 8.037 -4.684 1.00 0.00 C ATOM 537 CD GLU A 39 -8.356 7.711 -4.316 1.00 0.00 C ATOM 538 OE1 GLU A 39 -8.593 6.619 -3.759 1.00 0.00 O ATOM 539 OE2 GLU A 39 -9.242 8.549 -4.586 1.00 0.00 O ATOM 0 H GLU A 39 -3.714 7.193 -3.727 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.212 5.669 -3.332 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.396 7.128 -5.874 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.826 6.138 -5.664 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.420 8.476 -3.822 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.915 8.789 -5.473 1.00 0.00 H new ATOM 546 N TRP A 40 -4.809 3.723 -3.949 1.00 0.00 N ATOM 547 CA TRP A 40 -4.106 2.523 -4.387 1.00 0.00 C ATOM 548 C TRP A 40 -4.729 1.963 -5.661 1.00 0.00 C ATOM 549 O TRP A 40 -5.951 1.957 -5.815 1.00 0.00 O ATOM 550 CB TRP A 40 -4.128 1.463 -3.285 1.00 0.00 C ATOM 551 CG TRP A 40 -3.627 1.967 -1.966 1.00 0.00 C ATOM 552 CD1 TRP A 40 -4.297 2.769 -1.087 1.00 0.00 C ATOM 553 CD2 TRP A 40 -2.348 1.704 -1.378 1.00 0.00 C ATOM 554 NE1 TRP A 40 -3.511 3.020 0.012 1.00 0.00 N ATOM 555 CE2 TRP A 40 -2.311 2.378 -0.142 1.00 0.00 C ATOM 556 CE3 TRP A 40 -1.231 0.963 -1.775 1.00 0.00 C ATOM 557 CZ2 TRP A 40 -1.201 2.333 0.697 1.00 0.00 C ATOM 558 CZ3 TRP A 40 -0.130 0.920 -0.941 1.00 0.00 C ATOM 559 CH2 TRP A 40 -0.122 1.600 0.284 1.00 0.00 C ATOM 0 H TRP A 40 -5.409 3.587 -3.135 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.072 2.794 -4.599 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.148 1.098 -3.163 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.520 0.613 -3.596 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.297 3.150 -1.234 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.778 3.592 0.813 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.229 0.434 -2.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.192 2.858 1.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.739 0.352 -1.239 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.753 1.544 0.915 1.00 0.00 H new ATOM 570 N ARG A 41 -3.883 1.492 -6.571 1.00 0.00 N ATOM 571 CA ARG A 41 -4.351 0.930 -7.833 1.00 0.00 C ATOM 572 C ARG A 41 -3.482 -0.249 -8.259 1.00 0.00 C ATOM 573 O ARG A 41 -2.394 -0.459 -7.722 1.00 0.00 O ATOM 574 CB ARG A 41 -4.347 2.001 -8.925 1.00 0.00 C ATOM 575 CG ARG A 41 -5.486 3.000 -8.803 1.00 0.00 C ATOM 576 CD ARG A 41 -5.321 4.156 -9.778 1.00 0.00 C ATOM 577 NE ARG A 41 -5.920 3.865 -11.078 1.00 0.00 N ATOM 578 CZ ARG A 41 -5.598 4.508 -12.195 1.00 0.00 C ATOM 579 NH1 ARG A 41 -4.689 5.472 -12.171 1.00 0.00 N ATOM 580 NH2 ARG A 41 -6.187 4.187 -13.340 1.00 0.00 N ATOM 0 H ARG A 41 -2.869 1.488 -6.458 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.371 0.573 -7.687 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.399 2.538 -8.892 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.404 1.515 -9.899 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.434 2.497 -8.991 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.526 3.385 -7.784 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.780 5.052 -9.360 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.261 4.372 -9.908 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.623 3.128 -11.131 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.234 5.722 -11.293 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.444 5.964 -13.031 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.888 3.446 -13.363 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.939 4.681 -14.197 1.00 0.00 H new ATOM 594 N LYS A 42 -3.970 -1.018 -9.226 1.00 0.00 N ATOM 595 CA LYS A 42 -3.239 -2.176 -9.726 1.00 0.00 C ATOM 596 C LYS A 42 -3.245 -2.207 -11.251 1.00 0.00 C ATOM 597 O LYS A 42 -4.062 -2.892 -11.865 1.00 0.00 O ATOM 598 CB LYS A 42 -3.851 -3.467 -9.177 1.00 0.00 C ATOM 599 CG LYS A 42 -3.100 -4.720 -9.590 1.00 0.00 C ATOM 600 CD LYS A 42 -3.661 -5.957 -8.909 1.00 0.00 C ATOM 601 CE LYS A 42 -2.790 -7.178 -9.164 1.00 0.00 C ATOM 602 NZ LYS A 42 -3.584 -8.437 -9.157 1.00 0.00 N ATOM 0 H LYS A 42 -4.870 -0.860 -9.680 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.206 -2.097 -9.386 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.878 -3.412 -8.089 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.883 -3.543 -9.518 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.159 -4.841 -10.672 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.045 -4.612 -9.339 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.736 -5.780 -7.836 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.671 -6.147 -9.272 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.287 -7.071 -10.125 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.012 -7.235 -8.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.942 -9.253 -9.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.137 -8.494 -8.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.229 -8.445 -9.973 1.00 0.00 H new ATOM 616 N GLY A 43 -2.327 -1.461 -11.857 1.00 0.00 N ATOM 617 CA GLY A 43 -2.243 -1.419 -13.306 1.00 0.00 C ATOM 618 C GLY A 43 -3.572 -1.084 -13.953 1.00 0.00 C ATOM 619 O GLY A 43 -4.134 -0.007 -13.747 1.00 0.00 O ATOM 0 H GLY A 43 -1.640 -0.885 -11.371 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.501 -0.678 -13.603 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.895 -2.384 -13.675 1.00 0.00 H new ATOM 623 N PRO A 44 -4.095 -2.020 -14.759 1.00 0.00 N ATOM 624 CA PRO A 44 -5.372 -1.841 -15.456 1.00 0.00 C ATOM 625 C PRO A 44 -6.561 -1.858 -14.502 1.00 0.00 C ATOM 626 O PRO A 44 -7.647 -1.389 -14.842 1.00 0.00 O ATOM 627 CB PRO A 44 -5.430 -3.041 -16.404 1.00 0.00 C ATOM 628 CG PRO A 44 -4.575 -4.076 -15.758 1.00 0.00 C ATOM 629 CD PRO A 44 -3.480 -3.326 -15.050 1.00 0.00 C ATOM 0 HA PRO A 44 -5.428 -0.877 -15.962 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -6.453 -3.396 -16.531 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.057 -2.781 -17.395 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.153 -4.677 -15.056 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.163 -4.760 -16.500 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.168 -3.836 -14.138 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.594 -3.222 -15.676 1.00 0.00 H new ATOM 637 N GLU A 45 -6.348 -2.401 -13.308 1.00 0.00 N ATOM 638 CA GLU A 45 -7.404 -2.479 -12.305 1.00 0.00 C ATOM 639 C GLU A 45 -7.387 -1.249 -11.401 1.00 0.00 C ATOM 640 O GLU A 45 -6.567 -0.349 -11.575 1.00 0.00 O ATOM 641 CB GLU A 45 -7.246 -3.747 -11.463 1.00 0.00 C ATOM 642 CG GLU A 45 -7.908 -4.970 -12.076 1.00 0.00 C ATOM 643 CD GLU A 45 -7.647 -5.090 -13.564 1.00 0.00 C ATOM 644 OE1 GLU A 45 -8.342 -4.409 -14.346 1.00 0.00 O ATOM 645 OE2 GLU A 45 -6.747 -5.867 -13.947 1.00 0.00 O ATOM 0 H GLU A 45 -5.454 -2.793 -13.011 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.362 -2.514 -12.824 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.184 -3.950 -11.323 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.670 -3.572 -10.474 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.543 -5.866 -11.574 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.983 -4.922 -11.902 1.00 0.00 H new ATOM 652 N ASN A 46 -8.300 -1.220 -10.436 1.00 0.00 N ATOM 653 CA ASN A 46 -8.392 -0.101 -9.504 1.00 0.00 C ATOM 654 C ASN A 46 -8.786 -0.583 -8.112 1.00 0.00 C ATOM 655 O ASN A 46 -9.746 -1.339 -7.953 1.00 0.00 O ATOM 656 CB ASN A 46 -9.408 0.926 -10.007 1.00 0.00 C ATOM 657 CG ASN A 46 -10.825 0.386 -10.005 1.00 0.00 C ATOM 658 OD1 ASN A 46 -11.080 -0.609 -10.846 1.00 0.00 O flip ATOM 659 ND2 ASN A 46 -11.680 0.858 -9.256 1.00 0.00 N flip ATOM 0 H ASN A 46 -8.987 -1.958 -10.279 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.411 0.369 -9.442 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.361 1.817 -9.381 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.140 1.233 -11.018 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.440 1.623 -8.625 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.629 0.484 -9.266 1.00 0.00 H new ATOM 666 N LEU A 47 -8.039 -0.142 -7.106 1.00 0.00 N ATOM 667 CA LEU A 47 -8.310 -0.528 -5.725 1.00 0.00 C ATOM 668 C LEU A 47 -8.947 0.623 -4.953 1.00 0.00 C ATOM 669 O LEU A 47 -9.015 1.751 -5.444 1.00 0.00 O ATOM 670 CB LEU A 47 -7.017 -0.966 -5.034 1.00 0.00 C ATOM 671 CG LEU A 47 -6.111 -1.900 -5.837 1.00 0.00 C ATOM 672 CD1 LEU A 47 -4.794 -2.121 -5.109 1.00 0.00 C ATOM 673 CD2 LEU A 47 -6.808 -3.228 -6.095 1.00 0.00 C ATOM 0 H LEU A 47 -7.241 0.483 -7.220 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.009 -1.364 -5.738 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.447 -0.074 -4.774 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.278 -1.461 -4.099 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.898 -1.431 -6.798 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.162 -2.788 -5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.287 -1.165 -4.975 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.988 -2.568 -4.134 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.148 -3.880 -6.668 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.051 -3.702 -5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.725 -3.054 -6.658 1.00 0.00 H new ATOM 685 N ARG A 48 -9.412 0.332 -3.743 1.00 0.00 N ATOM 686 CA ARG A 48 -10.042 1.343 -2.902 1.00 0.00 C ATOM 687 C ARG A 48 -10.355 0.781 -1.518 1.00 0.00 C ATOM 688 O ARG A 48 -10.639 -0.407 -1.369 1.00 0.00 O ATOM 689 CB ARG A 48 -11.326 1.853 -3.559 1.00 0.00 C ATOM 690 CG ARG A 48 -12.345 0.760 -3.836 1.00 0.00 C ATOM 691 CD ARG A 48 -13.702 1.342 -4.202 1.00 0.00 C ATOM 692 NE ARG A 48 -14.462 0.452 -5.075 1.00 0.00 N ATOM 693 CZ ARG A 48 -15.721 0.674 -5.435 1.00 0.00 C ATOM 694 NH1 ARG A 48 -16.358 1.752 -4.998 1.00 0.00 N ATOM 695 NH2 ARG A 48 -16.346 -0.182 -6.233 1.00 0.00 N ATOM 0 H ARG A 48 -9.364 -0.596 -3.323 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.344 2.173 -2.789 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.780 2.606 -2.914 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -11.072 2.348 -4.497 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.989 0.126 -4.648 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.446 0.124 -2.957 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -14.272 1.532 -3.293 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.563 2.303 -4.697 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.001 -0.386 -5.428 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.881 2.412 -4.384 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -17.325 1.921 -5.276 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -15.860 -1.012 -6.571 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -17.313 -0.010 -6.508 1.00 0.00 H new ATOM 709 N ASP A 49 -10.299 1.644 -0.510 1.00 0.00 N ATOM 710 CA ASP A 49 -10.577 1.235 0.862 1.00 0.00 C ATOM 711 C ASP A 49 -11.983 0.655 0.983 1.00 0.00 C ATOM 712 O ASP A 49 -12.973 1.378 0.889 1.00 0.00 O ATOM 713 CB ASP A 49 -10.418 2.423 1.813 1.00 0.00 C ATOM 714 CG ASP A 49 -11.534 3.438 1.663 1.00 0.00 C ATOM 715 OD1 ASP A 49 -11.783 3.880 0.522 1.00 0.00 O ATOM 716 OD2 ASP A 49 -12.158 3.791 2.686 1.00 0.00 O ATOM 0 H ASP A 49 -10.064 2.631 -0.617 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.860 0.461 1.136 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.396 2.061 2.841 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.461 2.909 1.625 1.00 0.00 H new ATOM 721 N GLY A 50 -12.061 -0.656 1.191 1.00 0.00 N ATOM 722 CA GLY A 50 -13.350 -1.311 1.320 1.00 0.00 C ATOM 723 C GLY A 50 -13.273 -2.586 2.136 1.00 0.00 C ATOM 724 O GLY A 50 -12.527 -2.662 3.112 1.00 0.00 O ATOM 0 H GLY A 50 -11.255 -1.276 1.272 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.057 -0.626 1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.738 -1.541 0.328 1.00 0.00 H new ATOM 728 N ASP A 51 -14.047 -3.589 1.737 1.00 0.00 N ATOM 729 CA ASP A 51 -14.064 -4.867 2.438 1.00 0.00 C ATOM 730 C ASP A 51 -12.942 -5.774 1.943 1.00 0.00 C ATOM 731 O ASP A 51 -12.054 -6.153 2.707 1.00 0.00 O ATOM 732 CB ASP A 51 -15.416 -5.558 2.251 1.00 0.00 C ATOM 733 CG ASP A 51 -16.583 -4.632 2.534 1.00 0.00 C ATOM 734 OD1 ASP A 51 -16.516 -3.879 3.527 1.00 0.00 O ATOM 735 OD2 ASP A 51 -17.565 -4.662 1.762 1.00 0.00 O ATOM 0 H ASP A 51 -14.671 -3.542 0.932 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.908 -4.673 3.499 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -15.492 -5.932 1.230 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.473 -6.423 2.912 1.00 0.00 H new ATOM 740 N ARG A 52 -12.990 -6.120 0.660 1.00 0.00 N ATOM 741 CA ARG A 52 -11.980 -6.985 0.064 1.00 0.00 C ATOM 742 C ARG A 52 -10.592 -6.361 0.183 1.00 0.00 C ATOM 743 O ARG A 52 -9.579 -7.042 0.021 1.00 0.00 O ATOM 744 CB ARG A 52 -12.307 -7.248 -1.407 1.00 0.00 C ATOM 745 CG ARG A 52 -12.599 -5.986 -2.202 1.00 0.00 C ATOM 746 CD ARG A 52 -13.630 -6.238 -3.290 1.00 0.00 C ATOM 747 NE ARG A 52 -13.089 -7.046 -4.380 1.00 0.00 N ATOM 748 CZ ARG A 52 -12.515 -6.530 -5.461 1.00 0.00 C ATOM 749 NH1 ARG A 52 -12.406 -5.216 -5.596 1.00 0.00 N ATOM 750 NH2 ARG A 52 -12.046 -7.330 -6.411 1.00 0.00 N ATOM 0 H ARG A 52 -13.718 -5.814 0.014 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.983 -7.931 0.605 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.470 -7.772 -1.868 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.170 -7.912 -1.465 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.960 -5.207 -1.530 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.677 -5.617 -2.651 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -14.495 -6.742 -2.860 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.981 -5.285 -3.685 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.156 -8.061 -4.307 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.764 -4.597 -4.868 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.965 -4.824 -6.428 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.126 -8.342 -6.311 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.605 -6.933 -7.241 1.00 0.00 H new ATOM 764 N TYR A 53 -10.554 -5.064 0.467 1.00 0.00 N ATOM 765 CA TYR A 53 -9.291 -4.349 0.605 1.00 0.00 C ATOM 766 C TYR A 53 -9.290 -3.483 1.862 1.00 0.00 C ATOM 767 O TYR A 53 -9.956 -2.449 1.917 1.00 0.00 O ATOM 768 CB TYR A 53 -9.036 -3.479 -0.627 1.00 0.00 C ATOM 769 CG TYR A 53 -8.773 -4.274 -1.886 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.554 -4.910 -2.087 1.00 0.00 C ATOM 771 CD2 TYR A 53 -9.744 -4.390 -2.873 1.00 0.00 C ATOM 772 CE1 TYR A 53 -7.309 -5.637 -3.236 1.00 0.00 C ATOM 773 CE2 TYR A 53 -9.508 -5.117 -4.024 1.00 0.00 C ATOM 774 CZ TYR A 53 -8.289 -5.738 -4.201 1.00 0.00 C ATOM 775 OH TYR A 53 -8.050 -6.461 -5.347 1.00 0.00 O ATOM 0 H TYR A 53 -11.383 -4.486 0.606 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.493 -5.086 0.692 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -9.898 -2.832 -0.789 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.182 -2.830 -0.432 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.785 -4.835 -1.332 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -10.699 -3.904 -2.738 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.355 -6.124 -3.378 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.274 -5.199 -4.781 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.843 -6.433 -5.923 1.00 0.00 H new ATOM 785 N ILE A 54 -8.537 -3.914 2.868 1.00 0.00 N ATOM 786 CA ILE A 54 -8.447 -3.178 4.123 1.00 0.00 C ATOM 787 C ILE A 54 -7.391 -2.081 4.043 1.00 0.00 C ATOM 788 O ILE A 54 -6.198 -2.341 4.202 1.00 0.00 O ATOM 789 CB ILE A 54 -8.112 -4.113 5.301 1.00 0.00 C ATOM 790 CG1 ILE A 54 -9.177 -5.203 5.434 1.00 0.00 C ATOM 791 CG2 ILE A 54 -7.997 -3.317 6.592 1.00 0.00 C ATOM 792 CD1 ILE A 54 -8.711 -6.411 6.216 1.00 0.00 C ATOM 0 H ILE A 54 -7.981 -4.768 2.839 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.424 -2.726 4.295 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.152 -4.591 5.105 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.057 -4.782 5.921 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.485 -5.522 4.438 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.760 -3.991 7.415 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.206 -2.574 6.492 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.943 -2.815 6.795 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.517 -7.143 6.270 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.850 -6.856 5.718 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.430 -6.106 7.224 1.00 0.00 H new ATOM 804 N LEU A 55 -7.838 -0.855 3.798 1.00 0.00 N ATOM 805 CA LEU A 55 -6.932 0.284 3.698 1.00 0.00 C ATOM 806 C LEU A 55 -6.873 1.050 5.016 1.00 0.00 C ATOM 807 O LEU A 55 -7.884 1.205 5.701 1.00 0.00 O ATOM 808 CB LEU A 55 -7.377 1.219 2.572 1.00 0.00 C ATOM 809 CG LEU A 55 -7.138 0.715 1.148 1.00 0.00 C ATOM 810 CD1 LEU A 55 -5.771 1.157 0.648 1.00 0.00 C ATOM 811 CD2 LEU A 55 -7.264 -0.800 1.090 1.00 0.00 C ATOM 0 H LEU A 55 -8.822 -0.624 3.665 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.935 -0.096 3.474 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.442 1.418 2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.859 2.171 2.691 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.898 1.148 0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.618 0.789 -0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.717 2.246 0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.997 0.753 1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.091 -1.141 0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.527 -1.252 1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.265 -1.094 1.406 1.00 0.00 H new ATOM 823 N ARG A 56 -5.683 1.528 5.364 1.00 0.00 N ATOM 824 CA ARG A 56 -5.492 2.278 6.600 1.00 0.00 C ATOM 825 C ARG A 56 -4.509 3.426 6.392 1.00 0.00 C ATOM 826 O ARG A 56 -3.630 3.356 5.533 1.00 0.00 O ATOM 827 CB ARG A 56 -4.988 1.355 7.710 1.00 0.00 C ATOM 828 CG ARG A 56 -6.054 0.420 8.256 1.00 0.00 C ATOM 829 CD ARG A 56 -5.635 -0.188 9.585 1.00 0.00 C ATOM 830 NE ARG A 56 -6.785 -0.583 10.394 1.00 0.00 N ATOM 831 CZ ARG A 56 -6.689 -1.019 11.645 1.00 0.00 C ATOM 832 NH1 ARG A 56 -5.502 -1.116 12.227 1.00 0.00 N ATOM 833 NH2 ARG A 56 -7.782 -1.360 12.316 1.00 0.00 N ATOM 0 H ARG A 56 -4.836 1.409 4.808 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.455 2.695 6.895 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.157 0.761 7.328 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.597 1.962 8.526 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.988 0.967 8.383 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.246 -0.375 7.535 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.004 -1.058 9.403 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.032 0.532 10.139 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.713 -0.521 9.975 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.660 -0.856 11.714 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.431 -1.451 13.188 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.697 -1.287 11.871 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.707 -1.695 13.277 1.00 0.00 H new ATOM 847 N GLN A 57 -4.664 4.482 7.184 1.00 0.00 N ATOM 848 CA GLN A 57 -3.790 5.646 7.086 1.00 0.00 C ATOM 849 C GLN A 57 -3.614 6.311 8.447 1.00 0.00 C ATOM 850 O GLN A 57 -4.530 6.958 8.954 1.00 0.00 O ATOM 851 CB GLN A 57 -4.356 6.651 6.082 1.00 0.00 C ATOM 852 CG GLN A 57 -3.457 7.856 5.856 1.00 0.00 C ATOM 853 CD GLN A 57 -4.099 8.905 4.969 1.00 0.00 C ATOM 854 OE1 GLN A 57 -5.322 9.043 4.937 1.00 0.00 O ATOM 855 NE2 GLN A 57 -3.275 9.652 4.243 1.00 0.00 N ATOM 0 H GLN A 57 -5.386 4.556 7.900 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.813 5.308 6.739 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.521 6.147 5.130 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.329 6.995 6.433 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.206 8.303 6.818 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.521 7.527 5.404 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.268 9.503 4.301 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.650 10.374 3.628 1.00 0.00 H new ATOM 864 N GLU A 58 -2.432 6.147 9.033 1.00 0.00 N ATOM 865 CA GLU A 58 -2.139 6.732 10.336 1.00 0.00 C ATOM 866 C GLU A 58 -1.334 8.020 10.185 1.00 0.00 C ATOM 867 O GLU A 58 -0.536 8.371 11.054 1.00 0.00 O ATOM 868 CB GLU A 58 -1.369 5.735 11.205 1.00 0.00 C ATOM 869 CG GLU A 58 -2.264 4.759 11.950 1.00 0.00 C ATOM 870 CD GLU A 58 -3.346 5.455 12.752 1.00 0.00 C ATOM 871 OE1 GLU A 58 -3.017 6.411 13.487 1.00 0.00 O ATOM 872 OE2 GLU A 58 -4.520 5.046 12.647 1.00 0.00 O ATOM 0 H GLU A 58 -1.663 5.615 8.627 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.086 6.970 10.821 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.679 5.174 10.575 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.766 6.285 11.927 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.727 4.079 11.235 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.655 4.152 12.619 1.00 0.00 H new ATOM 879 N GLY A 59 -1.550 8.719 9.075 1.00 0.00 N ATOM 880 CA GLY A 59 -0.837 9.960 8.830 1.00 0.00 C ATOM 881 C GLY A 59 -0.132 9.968 7.488 1.00 0.00 C ATOM 882 O GLY A 59 -0.711 9.583 6.471 1.00 0.00 O ATOM 0 H GLY A 59 -2.205 8.449 8.341 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.538 10.793 8.873 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.105 10.118 9.622 1.00 0.00 H new ATOM 886 N THR A 60 1.122 10.409 7.483 1.00 0.00 N ATOM 887 CA THR A 60 1.906 10.468 6.256 1.00 0.00 C ATOM 888 C THR A 60 2.138 9.075 5.683 1.00 0.00 C ATOM 889 O THR A 60 2.355 8.915 4.482 1.00 0.00 O ATOM 890 CB THR A 60 3.268 11.148 6.492 1.00 0.00 C ATOM 891 OG1 THR A 60 4.035 10.392 7.436 1.00 0.00 O ATOM 892 CG2 THR A 60 3.083 12.569 7.002 1.00 0.00 C ATOM 0 H THR A 60 1.616 10.731 8.315 1.00 0.00 H new ATOM 0 HA THR A 60 1.332 11.059 5.543 1.00 0.00 H new ATOM 0 HB THR A 60 3.799 11.188 5.541 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.900 10.829 7.580 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.059 13.028 7.161 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.524 13.149 6.268 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.533 12.549 7.943 1.00 0.00 H new ATOM 900 N ARG A 61 2.091 8.069 6.550 1.00 0.00 N ATOM 901 CA ARG A 61 2.297 6.688 6.130 1.00 0.00 C ATOM 902 C ARG A 61 0.962 5.990 5.884 1.00 0.00 C ATOM 903 O ARG A 61 0.022 6.132 6.667 1.00 0.00 O ATOM 904 CB ARG A 61 3.097 5.925 7.187 1.00 0.00 C ATOM 905 CG ARG A 61 3.186 4.431 6.922 1.00 0.00 C ATOM 906 CD ARG A 61 3.288 3.640 8.217 1.00 0.00 C ATOM 907 NE ARG A 61 3.535 2.222 7.975 1.00 0.00 N ATOM 908 CZ ARG A 61 4.065 1.403 8.877 1.00 0.00 C ATOM 909 NH1 ARG A 61 4.402 1.861 10.075 1.00 0.00 N ATOM 910 NH2 ARG A 61 4.259 0.124 8.582 1.00 0.00 N ATOM 0 H ARG A 61 1.912 8.184 7.548 1.00 0.00 H new ATOM 0 HA ARG A 61 2.860 6.698 5.196 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.105 6.338 7.236 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.639 6.086 8.163 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.307 4.106 6.364 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.055 4.222 6.298 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.092 4.049 8.829 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.365 3.755 8.786 1.00 0.00 H new ATOM 0 HE ARG A 61 3.287 1.839 7.063 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.254 2.844 10.305 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.809 1.231 10.766 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.001 -0.232 7.662 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.666 -0.503 9.276 1.00 0.00 H new ATOM 924 N CYS A 62 0.887 5.236 4.793 1.00 0.00 N ATOM 925 CA CYS A 62 -0.333 4.516 4.443 1.00 0.00 C ATOM 926 C CYS A 62 -0.132 3.010 4.575 1.00 0.00 C ATOM 927 O CYS A 62 0.970 2.545 4.863 1.00 0.00 O ATOM 928 CB CYS A 62 -0.763 4.863 3.017 1.00 0.00 C ATOM 929 SG CYS A 62 -0.960 6.635 2.716 1.00 0.00 S ATOM 0 H CYS A 62 1.656 5.107 4.135 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.118 4.821 5.135 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.025 4.467 2.320 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.706 4.362 2.801 1.00 0.00 H new ATOM 0 HG CYS A 62 -0.010 7.050 1.932 1.00 0.00 H new ATOM 935 N GLU A 63 -1.205 2.255 4.363 1.00 0.00 N ATOM 936 CA GLU A 63 -1.146 0.801 4.460 1.00 0.00 C ATOM 937 C GLU A 63 -2.306 0.158 3.706 1.00 0.00 C ATOM 938 O GLU A 63 -3.470 0.495 3.929 1.00 0.00 O ATOM 939 CB GLU A 63 -1.172 0.364 5.926 1.00 0.00 C ATOM 940 CG GLU A 63 -0.042 0.950 6.756 1.00 0.00 C ATOM 941 CD GLU A 63 -0.045 0.446 8.186 1.00 0.00 C ATOM 942 OE1 GLU A 63 0.529 -0.635 8.436 1.00 0.00 O ATOM 943 OE2 GLU A 63 -0.622 1.132 9.055 1.00 0.00 O ATOM 0 H GLU A 63 -2.125 2.625 4.123 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.212 0.470 4.006 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.125 0.657 6.367 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.120 -0.724 5.973 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.912 0.703 6.290 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.124 2.037 6.758 1.00 0.00 H new ATOM 950 N LEU A 64 -1.981 -0.771 2.813 1.00 0.00 N ATOM 951 CA LEU A 64 -2.995 -1.462 2.024 1.00 0.00 C ATOM 952 C LEU A 64 -2.949 -2.966 2.275 1.00 0.00 C ATOM 953 O LEU A 64 -1.885 -3.582 2.212 1.00 0.00 O ATOM 954 CB LEU A 64 -2.795 -1.175 0.535 1.00 0.00 C ATOM 955 CG LEU A 64 -3.292 -2.253 -0.429 1.00 0.00 C ATOM 956 CD1 LEU A 64 -4.811 -2.242 -0.504 1.00 0.00 C ATOM 957 CD2 LEU A 64 -2.687 -2.054 -1.811 1.00 0.00 C ATOM 0 H LEU A 64 -1.023 -1.063 2.617 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.973 -1.091 2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.301 -0.240 0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.731 -1.018 0.355 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.974 -3.225 -0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.147 -3.016 -1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.226 -2.434 0.486 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.151 -1.268 -0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.052 -2.830 -2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.974 -1.076 -2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.601 -2.113 -1.745 1.00 0.00 H new ATOM 969 N GLN A 65 -4.109 -3.549 2.558 1.00 0.00 N ATOM 970 CA GLN A 65 -4.200 -4.981 2.817 1.00 0.00 C ATOM 971 C GLN A 65 -5.115 -5.661 1.804 1.00 0.00 C ATOM 972 O GLN A 65 -6.247 -5.228 1.589 1.00 0.00 O ATOM 973 CB GLN A 65 -4.714 -5.233 4.236 1.00 0.00 C ATOM 974 CG GLN A 65 -3.606 -5.452 5.254 1.00 0.00 C ATOM 975 CD GLN A 65 -4.140 -5.738 6.644 1.00 0.00 C ATOM 976 OE1 GLN A 65 -4.895 -6.689 6.848 1.00 0.00 O ATOM 977 NE2 GLN A 65 -3.749 -4.915 7.610 1.00 0.00 N ATOM 0 H GLN A 65 -4.998 -3.052 2.614 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.201 -5.406 2.719 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.322 -4.384 4.550 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.366 -6.106 4.228 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.980 -6.284 4.931 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.969 -4.568 5.288 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.122 -4.139 7.396 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.075 -5.059 8.566 1.00 0.00 H new ATOM 986 N ILE A 66 -4.617 -6.726 1.185 1.00 0.00 N ATOM 987 CA ILE A 66 -5.390 -7.465 0.195 1.00 0.00 C ATOM 988 C ILE A 66 -5.827 -8.821 0.739 1.00 0.00 C ATOM 989 O ILE A 66 -5.090 -9.803 0.651 1.00 0.00 O ATOM 990 CB ILE A 66 -4.587 -7.679 -1.102 1.00 0.00 C ATOM 991 CG1 ILE A 66 -3.997 -6.353 -1.587 1.00 0.00 C ATOM 992 CG2 ILE A 66 -5.470 -8.296 -2.176 1.00 0.00 C ATOM 993 CD1 ILE A 66 -2.698 -6.512 -2.345 1.00 0.00 C ATOM 0 H ILE A 66 -3.681 -7.096 1.352 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.272 -6.865 -0.029 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.767 -8.366 -0.895 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.724 -5.854 -2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.830 -5.703 -0.728 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.888 -8.441 -3.086 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.847 -9.258 -1.829 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.309 -7.632 -2.383 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.337 -5.532 -2.658 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.956 -6.983 -1.700 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.863 -7.136 -3.223 1.00 0.00 H new ATOM 1005 N CYS A 67 -7.030 -8.867 1.299 1.00 0.00 N ATOM 1006 CA CYS A 67 -7.567 -10.103 1.857 1.00 0.00 C ATOM 1007 C CYS A 67 -7.820 -11.130 0.759 1.00 0.00 C ATOM 1008 O CYS A 67 -8.593 -10.887 -0.167 1.00 0.00 O ATOM 1009 CB CYS A 67 -8.863 -9.823 2.619 1.00 0.00 C ATOM 1010 SG CYS A 67 -9.236 -11.032 3.911 1.00 0.00 S ATOM 0 H CYS A 67 -7.652 -8.063 1.379 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.829 -10.511 2.548 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.800 -8.833 3.070 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.691 -9.798 1.910 1.00 0.00 H new ATOM 0 HG CYS A 67 -10.349 -10.708 4.500 1.00 0.00 H new ATOM 1016 N GLY A 68 -7.162 -12.280 0.868 1.00 0.00 N ATOM 1017 CA GLY A 68 -7.327 -13.327 -0.124 1.00 0.00 C ATOM 1018 C GLY A 68 -6.385 -13.166 -1.300 1.00 0.00 C ATOM 1019 O GLY A 68 -6.802 -12.775 -2.391 1.00 0.00 O ATOM 0 H GLY A 68 -6.517 -12.506 1.626 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.156 -14.297 0.344 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.356 -13.323 -0.484 1.00 0.00 H new ATOM 1023 N LEU A 69 -5.110 -13.466 -1.079 1.00 0.00 N ATOM 1024 CA LEU A 69 -4.104 -13.350 -2.130 1.00 0.00 C ATOM 1025 C LEU A 69 -4.236 -14.487 -3.138 1.00 0.00 C ATOM 1026 O LEU A 69 -4.913 -15.482 -2.881 1.00 0.00 O ATOM 1027 CB LEU A 69 -2.700 -13.354 -1.522 1.00 0.00 C ATOM 1028 CG LEU A 69 -2.207 -12.019 -0.962 1.00 0.00 C ATOM 1029 CD1 LEU A 69 -0.922 -12.212 -0.173 1.00 0.00 C ATOM 1030 CD2 LEU A 69 -1.999 -11.014 -2.086 1.00 0.00 C ATOM 0 H LEU A 69 -4.748 -13.791 -0.183 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.266 -12.406 -2.651 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.675 -14.093 -0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.996 -13.687 -2.285 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.968 -11.627 -0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.587 -11.251 0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.103 -12.897 0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.153 -12.627 -0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.648 -10.070 -1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.258 -11.399 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.942 -10.852 -2.608 1.00 0.00 H new ATOM 1042 N ALA A 70 -3.584 -14.333 -4.285 1.00 0.00 N ATOM 1043 CA ALA A 70 -3.626 -15.348 -5.330 1.00 0.00 C ATOM 1044 C ALA A 70 -2.641 -15.026 -6.449 1.00 0.00 C ATOM 1045 O ALA A 70 -2.299 -13.865 -6.672 1.00 0.00 O ATOM 1046 CB ALA A 70 -5.036 -15.475 -5.887 1.00 0.00 C ATOM 0 H ALA A 70 -3.020 -13.515 -4.514 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.335 -16.301 -4.888 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.052 -16.237 -6.667 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.719 -15.760 -5.087 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.349 -14.519 -6.307 1.00 0.00 H new ATOM 1052 N MET A 71 -2.187 -16.061 -7.148 1.00 0.00 N ATOM 1053 CA MET A 71 -1.241 -15.886 -8.244 1.00 0.00 C ATOM 1054 C MET A 71 -1.522 -14.594 -9.005 1.00 0.00 C ATOM 1055 O MET A 71 -0.600 -13.881 -9.399 1.00 0.00 O ATOM 1056 CB MET A 71 -1.308 -17.079 -9.199 1.00 0.00 C ATOM 1057 CG MET A 71 -0.917 -18.398 -8.552 1.00 0.00 C ATOM 1058 SD MET A 71 0.849 -18.737 -8.679 1.00 0.00 S ATOM 1059 CE MET A 71 1.431 -18.093 -7.113 1.00 0.00 C ATOM 0 H MET A 71 -2.459 -17.029 -6.975 1.00 0.00 H new ATOM 0 HA MET A 71 -0.239 -15.825 -7.819 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.321 -17.163 -9.592 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.651 -16.891 -10.048 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.205 -18.382 -7.501 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.473 -19.208 -9.023 1.00 0.00 H new ATOM 0 HE1 MET A 71 1.891 -17.117 -7.269 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.591 -17.992 -6.426 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.166 -18.777 -6.689 1.00 0.00 H new ATOM 1069 N ALA A 72 -2.802 -14.300 -9.208 1.00 0.00 N ATOM 1070 CA ALA A 72 -3.205 -13.093 -9.920 1.00 0.00 C ATOM 1071 C ALA A 72 -2.703 -11.842 -9.207 1.00 0.00 C ATOM 1072 O ALA A 72 -2.120 -10.953 -9.829 1.00 0.00 O ATOM 1073 CB ALA A 72 -4.718 -13.048 -10.068 1.00 0.00 C ATOM 0 H ALA A 72 -3.578 -14.881 -8.890 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.755 -13.119 -10.912 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.005 -12.142 -10.601 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.055 -13.920 -10.628 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.180 -13.050 -9.081 1.00 0.00 H new ATOM 1079 N ASP A 73 -2.933 -11.779 -7.901 1.00 0.00 N ATOM 1080 CA ASP A 73 -2.504 -10.636 -7.103 1.00 0.00 C ATOM 1081 C ASP A 73 -1.074 -10.235 -7.453 1.00 0.00 C ATOM 1082 O ASP A 73 -0.751 -9.049 -7.523 1.00 0.00 O ATOM 1083 CB ASP A 73 -2.605 -10.961 -5.612 1.00 0.00 C ATOM 1084 CG ASP A 73 -3.996 -11.408 -5.210 1.00 0.00 C ATOM 1085 OD1 ASP A 73 -4.561 -12.282 -5.900 1.00 0.00 O ATOM 1086 OD2 ASP A 73 -4.521 -10.883 -4.205 1.00 0.00 O ATOM 0 H ASP A 73 -3.414 -12.506 -7.372 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.163 -9.798 -7.330 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -1.889 -11.745 -5.365 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.327 -10.081 -5.032 1.00 0.00 H new ATOM 1091 N ALA A 74 -0.222 -11.231 -7.671 1.00 0.00 N ATOM 1092 CA ALA A 74 1.172 -10.982 -8.015 1.00 0.00 C ATOM 1093 C ALA A 74 1.285 -10.195 -9.317 1.00 0.00 C ATOM 1094 O ALA A 74 1.032 -10.725 -10.398 1.00 0.00 O ATOM 1095 CB ALA A 74 1.931 -12.296 -8.124 1.00 0.00 C ATOM 0 H ALA A 74 -0.473 -12.218 -7.615 1.00 0.00 H new ATOM 0 HA ALA A 74 1.615 -10.383 -7.219 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.971 -12.095 -8.381 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.888 -12.821 -7.170 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.478 -12.914 -8.899 1.00 0.00 H new ATOM 1101 N GLY A 75 1.665 -8.926 -9.204 1.00 0.00 N ATOM 1102 CA GLY A 75 1.804 -8.087 -10.380 1.00 0.00 C ATOM 1103 C GLY A 75 2.494 -6.772 -10.076 1.00 0.00 C ATOM 1104 O GLY A 75 3.682 -6.748 -9.756 1.00 0.00 O ATOM 0 H GLY A 75 1.879 -8.464 -8.320 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.371 -8.624 -11.141 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.818 -7.888 -10.799 1.00 0.00 H new ATOM 1108 N GLU A 76 1.748 -5.676 -10.177 1.00 0.00 N ATOM 1109 CA GLU A 76 2.298 -4.352 -9.912 1.00 0.00 C ATOM 1110 C GLU A 76 1.245 -3.441 -9.287 1.00 0.00 C ATOM 1111 O GLU A 76 0.199 -3.182 -9.883 1.00 0.00 O ATOM 1112 CB GLU A 76 2.825 -3.726 -11.205 1.00 0.00 C ATOM 1113 CG GLU A 76 3.246 -2.275 -11.051 1.00 0.00 C ATOM 1114 CD GLU A 76 3.952 -1.738 -12.281 1.00 0.00 C ATOM 1115 OE1 GLU A 76 3.385 -1.855 -13.388 1.00 0.00 O ATOM 1116 OE2 GLU A 76 5.070 -1.202 -12.138 1.00 0.00 O ATOM 0 H GLU A 76 0.763 -5.679 -10.440 1.00 0.00 H new ATOM 0 HA GLU A 76 3.123 -4.464 -9.208 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.677 -4.307 -11.559 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.053 -3.792 -11.972 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.366 -1.665 -10.847 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.906 -2.182 -10.188 1.00 0.00 H new ATOM 1123 N TYR A 77 1.529 -2.959 -8.082 1.00 0.00 N ATOM 1124 CA TYR A 77 0.606 -2.080 -7.373 1.00 0.00 C ATOM 1125 C TYR A 77 1.136 -0.650 -7.337 1.00 0.00 C ATOM 1126 O TYR A 77 2.293 -0.412 -6.986 1.00 0.00 O ATOM 1127 CB TYR A 77 0.377 -2.587 -5.949 1.00 0.00 C ATOM 1128 CG TYR A 77 -0.398 -3.884 -5.885 1.00 0.00 C ATOM 1129 CD1 TYR A 77 0.210 -5.096 -6.189 1.00 0.00 C ATOM 1130 CD2 TYR A 77 -1.739 -3.897 -5.522 1.00 0.00 C ATOM 1131 CE1 TYR A 77 -0.495 -6.282 -6.134 1.00 0.00 C ATOM 1132 CE2 TYR A 77 -2.452 -5.079 -5.462 1.00 0.00 C ATOM 1133 CZ TYR A 77 -1.825 -6.269 -5.769 1.00 0.00 C ATOM 1134 OH TYR A 77 -2.532 -7.449 -5.712 1.00 0.00 O ATOM 0 H TYR A 77 2.391 -3.162 -7.576 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.343 -2.084 -7.909 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.342 -2.726 -5.462 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.159 -1.825 -5.383 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.252 -5.111 -6.473 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.233 -2.967 -5.283 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -0.008 -7.215 -6.376 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.494 -5.071 -5.177 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.087 -8.124 -6.266 1.00 0.00 H new ATOM 1144 N LEU A 78 0.282 0.300 -7.700 1.00 0.00 N ATOM 1145 CA LEU A 78 0.662 1.709 -7.709 1.00 0.00 C ATOM 1146 C LEU A 78 -0.072 2.478 -6.615 1.00 0.00 C ATOM 1147 O LEU A 78 -1.247 2.224 -6.346 1.00 0.00 O ATOM 1148 CB LEU A 78 0.362 2.330 -9.074 1.00 0.00 C ATOM 1149 CG LEU A 78 1.203 1.818 -10.244 1.00 0.00 C ATOM 1150 CD1 LEU A 78 0.547 0.602 -10.881 1.00 0.00 C ATOM 1151 CD2 LEU A 78 1.408 2.917 -11.275 1.00 0.00 C ATOM 0 H LEU A 78 -0.679 0.121 -7.992 1.00 0.00 H new ATOM 0 HA LEU A 78 1.733 1.772 -7.516 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.689 2.158 -9.306 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.500 3.409 -8.998 1.00 0.00 H new ATOM 0 HG LEU A 78 2.179 1.520 -9.862 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.160 0.251 -11.712 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.453 -0.191 -10.139 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.442 0.873 -11.249 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.009 2.534 -12.100 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.440 3.246 -11.653 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.922 3.759 -10.812 1.00 0.00 H new ATOM 1163 N CYS A 79 0.626 3.419 -5.990 1.00 0.00 N ATOM 1164 CA CYS A 79 0.040 4.226 -4.926 1.00 0.00 C ATOM 1165 C CYS A 79 0.093 5.710 -5.277 1.00 0.00 C ATOM 1166 O CYS A 79 1.151 6.336 -5.211 1.00 0.00 O ATOM 1167 CB CYS A 79 0.770 3.976 -3.606 1.00 0.00 C ATOM 1168 SG CYS A 79 -0.261 4.200 -2.138 1.00 0.00 S ATOM 0 H CYS A 79 1.599 3.642 -6.202 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.004 3.934 -4.816 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.164 2.960 -3.608 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.625 4.649 -3.543 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.719 3.047 -1.749 1.00 0.00 H new ATOM 1174 N VAL A 80 -1.054 6.265 -5.652 1.00 0.00 N ATOM 1175 CA VAL A 80 -1.139 7.675 -6.014 1.00 0.00 C ATOM 1176 C VAL A 80 -1.440 8.539 -4.795 1.00 0.00 C ATOM 1177 O VAL A 80 -2.181 8.131 -3.900 1.00 0.00 O ATOM 1178 CB VAL A 80 -2.223 7.916 -7.081 1.00 0.00 C ATOM 1179 CG1 VAL A 80 -2.242 9.378 -7.503 1.00 0.00 C ATOM 1180 CG2 VAL A 80 -2.000 7.010 -8.282 1.00 0.00 C ATOM 0 H VAL A 80 -1.938 5.760 -5.713 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.168 7.955 -6.423 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.194 7.675 -6.648 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.014 9.529 -8.257 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.454 10.004 -6.636 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.271 9.650 -7.918 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.775 7.194 -9.026 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.023 7.217 -8.718 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.042 5.968 -7.965 1.00 0.00 H new ATOM 1190 N CYS A 81 -0.861 9.734 -4.766 1.00 0.00 N ATOM 1191 CA CYS A 81 -1.067 10.657 -3.656 1.00 0.00 C ATOM 1192 C CYS A 81 -1.749 11.936 -4.131 1.00 0.00 C ATOM 1193 O CYS A 81 -2.585 12.503 -3.428 1.00 0.00 O ATOM 1194 CB CYS A 81 0.268 10.994 -2.991 1.00 0.00 C ATOM 1195 SG CYS A 81 0.116 11.998 -1.495 1.00 0.00 S ATOM 0 H CYS A 81 -0.245 10.086 -5.499 1.00 0.00 H new ATOM 0 HA CYS A 81 -1.715 10.170 -2.927 1.00 0.00 H new ATOM 0 HB2 CYS A 81 0.782 10.066 -2.742 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.895 11.523 -3.708 1.00 0.00 H new ATOM 0 HG CYS A 81 -0.997 12.669 -1.534 1.00 0.00 H new ATOM 1201 N GLY A 82 -1.386 12.385 -5.328 1.00 0.00 N ATOM 1202 CA GLY A 82 -1.971 13.595 -5.876 1.00 0.00 C ATOM 1203 C GLY A 82 -1.238 14.088 -7.107 1.00 0.00 C ATOM 1204 O GLY A 82 -1.714 13.919 -8.229 1.00 0.00 O ATOM 0 H GLY A 82 -0.697 11.932 -5.929 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.015 13.408 -6.129 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.963 14.376 -5.115 1.00 0.00 H new ATOM 1208 N GLN A 83 -0.076 14.700 -6.897 1.00 0.00 N ATOM 1209 CA GLN A 83 0.722 15.221 -8.000 1.00 0.00 C ATOM 1210 C GLN A 83 1.731 14.183 -8.479 1.00 0.00 C ATOM 1211 O GLN A 83 2.215 14.250 -9.609 1.00 0.00 O ATOM 1212 CB GLN A 83 1.450 16.497 -7.572 1.00 0.00 C ATOM 1213 CG GLN A 83 0.522 17.680 -7.348 1.00 0.00 C ATOM 1214 CD GLN A 83 -0.240 17.585 -6.041 1.00 0.00 C ATOM 1215 OE1 GLN A 83 -0.054 16.644 -5.268 1.00 0.00 O ATOM 1216 NE2 GLN A 83 -1.104 18.560 -5.787 1.00 0.00 N ATOM 0 H GLN A 83 0.333 14.847 -5.974 1.00 0.00 H new ATOM 0 HA GLN A 83 0.048 15.454 -8.825 1.00 0.00 H new ATOM 0 HB2 GLN A 83 2.002 16.300 -6.653 1.00 0.00 H new ATOM 0 HB3 GLN A 83 2.183 16.760 -8.334 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.105 18.601 -7.358 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.187 17.742 -8.174 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -1.226 19.320 -6.456 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -1.646 18.549 -4.923 1.00 0.00 H new ATOM 1225 N GLU A 84 2.044 13.224 -7.613 1.00 0.00 N ATOM 1226 CA GLU A 84 2.996 12.172 -7.949 1.00 0.00 C ATOM 1227 C GLU A 84 2.397 10.793 -7.691 1.00 0.00 C ATOM 1228 O GLU A 84 1.268 10.674 -7.217 1.00 0.00 O ATOM 1229 CB GLU A 84 4.283 12.341 -7.139 1.00 0.00 C ATOM 1230 CG GLU A 84 5.043 13.617 -7.461 1.00 0.00 C ATOM 1231 CD GLU A 84 5.743 13.556 -8.805 1.00 0.00 C ATOM 1232 OE1 GLU A 84 5.122 13.076 -9.777 1.00 0.00 O ATOM 1233 OE2 GLU A 84 6.912 13.987 -8.884 1.00 0.00 O ATOM 0 H GLU A 84 1.652 13.154 -6.674 1.00 0.00 H new ATOM 0 HA GLU A 84 3.230 12.254 -9.010 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.037 12.333 -6.077 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.933 11.485 -7.323 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.351 14.459 -7.454 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.780 13.803 -6.680 1.00 0.00 H new ATOM 1240 N ARG A 85 3.163 9.753 -8.008 1.00 0.00 N ATOM 1241 CA ARG A 85 2.708 8.382 -7.813 1.00 0.00 C ATOM 1242 C ARG A 85 3.876 7.404 -7.899 1.00 0.00 C ATOM 1243 O ARG A 85 4.855 7.650 -8.605 1.00 0.00 O ATOM 1244 CB ARG A 85 1.648 8.020 -8.855 1.00 0.00 C ATOM 1245 CG ARG A 85 2.172 8.021 -10.282 1.00 0.00 C ATOM 1246 CD ARG A 85 1.316 7.152 -11.190 1.00 0.00 C ATOM 1247 NE ARG A 85 1.547 7.442 -12.602 1.00 0.00 N ATOM 1248 CZ ARG A 85 0.968 8.447 -13.250 1.00 0.00 C ATOM 1249 NH1 ARG A 85 0.129 9.254 -12.615 1.00 0.00 N ATOM 1250 NH2 ARG A 85 1.229 8.647 -14.536 1.00 0.00 N ATOM 0 H ARG A 85 4.101 9.835 -8.401 1.00 0.00 H new ATOM 0 HA ARG A 85 2.269 8.310 -6.818 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.247 7.033 -8.625 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.821 8.726 -8.780 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.189 9.042 -10.664 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.200 7.659 -10.294 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.532 6.102 -10.996 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.263 7.309 -10.955 1.00 0.00 H new ATOM 0 HE ARG A 85 2.188 6.840 -13.119 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.073 9.104 -11.627 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.314 10.025 -13.115 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.875 8.029 -15.028 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.784 9.419 -15.033 1.00 0.00 H new ATOM 1264 N THR A 86 3.767 6.294 -7.176 1.00 0.00 N ATOM 1265 CA THR A 86 4.814 5.280 -7.169 1.00 0.00 C ATOM 1266 C THR A 86 4.240 3.896 -7.451 1.00 0.00 C ATOM 1267 O THR A 86 3.029 3.690 -7.382 1.00 0.00 O ATOM 1268 CB THR A 86 5.558 5.250 -5.821 1.00 0.00 C ATOM 1269 OG1 THR A 86 6.488 4.162 -5.799 1.00 0.00 O ATOM 1270 CG2 THR A 86 4.578 5.110 -4.665 1.00 0.00 C ATOM 0 H THR A 86 2.964 6.074 -6.587 1.00 0.00 H new ATOM 0 HA THR A 86 5.518 5.546 -7.958 1.00 0.00 H new ATOM 0 HB THR A 86 6.097 6.190 -5.708 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.250 4.395 -5.229 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.127 5.091 -3.723 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.890 5.955 -4.667 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.015 4.183 -4.776 1.00 0.00 H new ATOM 1278 N SER A 87 5.119 2.950 -7.769 1.00 0.00 N ATOM 1279 CA SER A 87 4.699 1.585 -8.065 1.00 0.00 C ATOM 1280 C SER A 87 5.673 0.576 -7.465 1.00 0.00 C ATOM 1281 O SER A 87 6.800 0.919 -7.110 1.00 0.00 O ATOM 1282 CB SER A 87 4.597 1.377 -9.577 1.00 0.00 C ATOM 1283 OG SER A 87 5.882 1.284 -10.167 1.00 0.00 O ATOM 0 H SER A 87 6.126 3.104 -7.828 1.00 0.00 H new ATOM 0 HA SER A 87 3.718 1.427 -7.617 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.031 0.469 -9.785 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.047 2.205 -10.025 1.00 0.00 H new ATOM 0 HG SER A 87 5.881 0.573 -10.842 1.00 0.00 H new ATOM 1289 N ALA A 88 5.229 -0.672 -7.356 1.00 0.00 N ATOM 1290 CA ALA A 88 6.061 -1.733 -6.802 1.00 0.00 C ATOM 1291 C ALA A 88 5.742 -3.076 -7.451 1.00 0.00 C ATOM 1292 O ALA A 88 4.894 -3.163 -8.340 1.00 0.00 O ATOM 1293 CB ALA A 88 5.875 -1.816 -5.294 1.00 0.00 C ATOM 0 H ALA A 88 4.298 -0.973 -7.644 1.00 0.00 H new ATOM 0 HA ALA A 88 7.103 -1.494 -7.016 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.502 -2.612 -4.893 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.159 -0.867 -4.840 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.830 -2.028 -5.067 1.00 0.00 H new ATOM 1299 N THR A 89 6.426 -4.123 -7.001 1.00 0.00 N ATOM 1300 CA THR A 89 6.217 -5.461 -7.539 1.00 0.00 C ATOM 1301 C THR A 89 6.023 -6.479 -6.420 1.00 0.00 C ATOM 1302 O THR A 89 6.896 -6.656 -5.570 1.00 0.00 O ATOM 1303 CB THR A 89 7.401 -5.904 -8.420 1.00 0.00 C ATOM 1304 OG1 THR A 89 7.739 -4.863 -9.344 1.00 0.00 O ATOM 1305 CG2 THR A 89 7.061 -7.176 -9.183 1.00 0.00 C ATOM 0 H THR A 89 7.130 -4.070 -6.265 1.00 0.00 H new ATOM 0 HA THR A 89 5.315 -5.419 -8.150 1.00 0.00 H new ATOM 0 HB THR A 89 8.254 -6.105 -7.772 1.00 0.00 H new ATOM 0 HG1 THR A 89 8.493 -5.151 -9.899 1.00 0.00 H new ATOM 0 HG21 THR A 89 7.912 -7.470 -9.798 1.00 0.00 H new ATOM 0 HG22 THR A 89 6.831 -7.974 -8.477 1.00 0.00 H new ATOM 0 HG23 THR A 89 6.196 -6.997 -9.822 1.00 0.00 H new ATOM 1313 N LEU A 90 4.875 -7.146 -6.427 1.00 0.00 N ATOM 1314 CA LEU A 90 4.566 -8.148 -5.413 1.00 0.00 C ATOM 1315 C LEU A 90 4.748 -9.558 -5.966 1.00 0.00 C ATOM 1316 O LEU A 90 4.563 -9.797 -7.160 1.00 0.00 O ATOM 1317 CB LEU A 90 3.133 -7.967 -4.908 1.00 0.00 C ATOM 1318 CG LEU A 90 2.617 -9.044 -3.953 1.00 0.00 C ATOM 1319 CD1 LEU A 90 3.425 -9.047 -2.665 1.00 0.00 C ATOM 1320 CD2 LEU A 90 1.139 -8.831 -3.658 1.00 0.00 C ATOM 0 H LEU A 90 4.142 -7.011 -7.124 1.00 0.00 H new ATOM 0 HA LEU A 90 5.258 -8.012 -4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.065 -7.002 -4.406 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.468 -7.925 -5.770 1.00 0.00 H new ATOM 0 HG LEU A 90 2.735 -10.015 -4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.043 -9.820 -1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.472 -9.249 -2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.340 -8.075 -2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.788 -9.606 -2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.997 -7.853 -3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.572 -8.881 -4.587 1.00 0.00 H new ATOM 1332 N THR A 91 5.111 -10.490 -5.090 1.00 0.00 N ATOM 1333 CA THR A 91 5.317 -11.876 -5.491 1.00 0.00 C ATOM 1334 C THR A 91 4.492 -12.826 -4.630 1.00 0.00 C ATOM 1335 O THR A 91 4.524 -12.750 -3.401 1.00 0.00 O ATOM 1336 CB THR A 91 6.802 -12.273 -5.395 1.00 0.00 C ATOM 1337 OG1 THR A 91 7.599 -11.387 -6.189 1.00 0.00 O ATOM 1338 CG2 THR A 91 7.010 -13.706 -5.862 1.00 0.00 C ATOM 0 H THR A 91 5.268 -10.310 -4.098 1.00 0.00 H new ATOM 0 HA THR A 91 4.993 -11.957 -6.529 1.00 0.00 H new ATOM 0 HB THR A 91 7.108 -12.199 -4.351 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.542 -11.645 -6.121 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.066 -13.964 -5.785 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.425 -14.381 -5.237 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.688 -13.801 -6.899 1.00 0.00 H new ATOM 1346 N ILE A 92 3.755 -13.719 -5.282 1.00 0.00 N ATOM 1347 CA ILE A 92 2.923 -14.684 -4.574 1.00 0.00 C ATOM 1348 C ILE A 92 3.548 -16.075 -4.605 1.00 0.00 C ATOM 1349 O ILE A 92 4.160 -16.470 -5.597 1.00 0.00 O ATOM 1350 CB ILE A 92 1.508 -14.757 -5.177 1.00 0.00 C ATOM 1351 CG1 ILE A 92 0.868 -13.367 -5.200 1.00 0.00 C ATOM 1352 CG2 ILE A 92 0.645 -15.730 -4.389 1.00 0.00 C ATOM 1353 CD1 ILE A 92 0.584 -12.810 -3.823 1.00 0.00 C ATOM 0 H ILE A 92 3.717 -13.794 -6.299 1.00 0.00 H new ATOM 0 HA ILE A 92 2.852 -14.342 -3.541 1.00 0.00 H new ATOM 0 HB ILE A 92 1.585 -15.119 -6.202 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.527 -12.681 -5.732 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.064 -13.414 -5.763 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.352 -15.770 -4.828 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.095 -16.722 -4.419 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.572 -15.396 -3.354 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.131 -11.823 -3.916 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.100 -13.475 -3.296 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.516 -12.730 -3.263 1.00 0.00 H new ATOM 1365 N ARG A 93 3.389 -16.813 -3.511 1.00 0.00 N ATOM 1366 CA ARG A 93 3.937 -18.160 -3.412 1.00 0.00 C ATOM 1367 C ARG A 93 2.823 -19.190 -3.249 1.00 0.00 C ATOM 1368 O ARG A 93 2.182 -19.264 -2.201 1.00 0.00 O ATOM 1369 CB ARG A 93 4.909 -18.253 -2.235 1.00 0.00 C ATOM 1370 CG ARG A 93 6.260 -17.611 -2.508 1.00 0.00 C ATOM 1371 CD ARG A 93 7.087 -18.443 -3.475 1.00 0.00 C ATOM 1372 NE ARG A 93 8.520 -18.295 -3.237 1.00 0.00 N ATOM 1373 CZ ARG A 93 9.147 -18.808 -2.183 1.00 0.00 C ATOM 1374 NH1 ARG A 93 8.469 -19.498 -1.276 1.00 0.00 N ATOM 1375 NH2 ARG A 93 10.454 -18.631 -2.036 1.00 0.00 N ATOM 0 H ARG A 93 2.885 -16.501 -2.681 1.00 0.00 H new ATOM 0 HA ARG A 93 4.474 -18.375 -4.336 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.459 -17.776 -1.364 1.00 0.00 H new ATOM 0 HB3 ARG A 93 5.060 -19.302 -1.981 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.113 -16.612 -2.919 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.804 -17.493 -1.571 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.810 -19.493 -3.379 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.857 -18.145 -4.498 1.00 0.00 H new ATOM 0 HE ARG A 93 9.070 -17.769 -3.916 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.464 -19.636 -1.386 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.952 -19.891 -0.468 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.978 -18.101 -2.732 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.934 -19.025 -1.227 1.00 0.00 H new ATOM 1389 N ALA A 94 2.599 -19.982 -4.292 1.00 0.00 N ATOM 1390 CA ALA A 94 1.564 -21.008 -4.263 1.00 0.00 C ATOM 1391 C ALA A 94 1.591 -21.779 -2.948 1.00 0.00 C ATOM 1392 O ALA A 94 2.636 -22.284 -2.534 1.00 0.00 O ATOM 1393 CB ALA A 94 1.731 -21.960 -5.438 1.00 0.00 C ATOM 0 H ALA A 94 3.120 -19.933 -5.167 1.00 0.00 H new ATOM 0 HA ALA A 94 0.596 -20.514 -4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.951 -22.721 -5.403 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.653 -21.403 -6.372 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.708 -22.439 -5.382 1.00 0.00 H new ATOM 1399 N LEU A 95 0.438 -21.867 -2.294 1.00 0.00 N ATOM 1400 CA LEU A 95 0.330 -22.576 -1.024 1.00 0.00 C ATOM 1401 C LEU A 95 0.728 -24.040 -1.183 1.00 0.00 C ATOM 1402 O LEU A 95 0.602 -24.630 -2.256 1.00 0.00 O ATOM 1403 CB LEU A 95 -1.098 -22.480 -0.483 1.00 0.00 C ATOM 1404 CG LEU A 95 -1.481 -21.149 0.165 1.00 0.00 C ATOM 1405 CD1 LEU A 95 -2.993 -20.989 0.201 1.00 0.00 C ATOM 1406 CD2 LEU A 95 -0.899 -21.051 1.567 1.00 0.00 C ATOM 0 H LEU A 95 -0.436 -21.456 -2.623 1.00 0.00 H new ATOM 0 HA LEU A 95 1.013 -22.107 -0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.790 -22.675 -1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.242 -23.273 0.251 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.065 -20.341 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.247 -20.036 0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.386 -21.013 -0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.431 -21.803 0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.182 -20.097 2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.285 -21.866 2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.188 -21.119 1.515 1.00 0.00 H new ATOM 1418 N PRO A 96 1.218 -24.642 -0.089 1.00 0.00 N ATOM 1419 CA PRO A 96 1.641 -26.046 -0.081 1.00 0.00 C ATOM 1420 C PRO A 96 0.464 -27.007 -0.202 1.00 0.00 C ATOM 1421 O PRO A 96 -0.694 -26.589 -0.207 1.00 0.00 O ATOM 1422 CB PRO A 96 2.321 -26.203 1.282 1.00 0.00 C ATOM 1423 CG PRO A 96 1.700 -25.154 2.138 1.00 0.00 C ATOM 1424 CD PRO A 96 1.395 -24.000 1.224 1.00 0.00 C ATOM 0 HA PRO A 96 2.288 -26.282 -0.926 1.00 0.00 H new ATOM 0 HB2 PRO A 96 2.157 -27.199 1.694 1.00 0.00 H new ATOM 0 HB3 PRO A 96 3.399 -26.064 1.205 1.00 0.00 H new ATOM 0 HG2 PRO A 96 0.792 -25.525 2.614 1.00 0.00 H new ATOM 0 HG3 PRO A 96 2.377 -24.851 2.937 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.496 -23.468 1.535 1.00 0.00 H new ATOM 0 HD3 PRO A 96 2.207 -23.273 1.210 1.00 0.00 H new ATOM 1432 N SER A 97 0.767 -28.298 -0.301 1.00 0.00 N ATOM 1433 CA SER A 97 -0.266 -29.319 -0.426 1.00 0.00 C ATOM 1434 C SER A 97 -0.402 -30.116 0.868 1.00 0.00 C ATOM 1435 O SER A 97 0.487 -30.098 1.718 1.00 0.00 O ATOM 1436 CB SER A 97 0.056 -30.261 -1.588 1.00 0.00 C ATOM 1437 OG SER A 97 -0.181 -29.631 -2.835 1.00 0.00 O ATOM 0 H SER A 97 1.720 -28.661 -0.297 1.00 0.00 H new ATOM 0 HA SER A 97 -1.214 -28.819 -0.625 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.098 -30.575 -1.528 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.553 -31.161 -1.510 1.00 0.00 H new ATOM 0 HG SER A 97 0.034 -30.253 -3.562 1.00 0.00 H new ATOM 1443 N GLY A 98 -1.524 -30.816 1.009 1.00 0.00 N ATOM 1444 CA GLY A 98 -1.757 -31.610 2.201 1.00 0.00 C ATOM 1445 C GLY A 98 -2.848 -32.644 2.005 1.00 0.00 C ATOM 1446 O GLY A 98 -4.009 -32.427 2.353 1.00 0.00 O ATOM 0 H GLY A 98 -2.275 -30.847 0.319 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.832 -32.112 2.486 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.029 -30.951 3.025 1.00 0.00 H new ATOM 1450 N PRO A 99 -2.477 -33.799 1.433 1.00 0.00 N ATOM 1451 CA PRO A 99 -3.419 -34.893 1.176 1.00 0.00 C ATOM 1452 C PRO A 99 -3.889 -35.567 2.461 1.00 0.00 C ATOM 1453 O PRO A 99 -3.138 -36.307 3.096 1.00 0.00 O ATOM 1454 CB PRO A 99 -2.603 -35.872 0.327 1.00 0.00 C ATOM 1455 CG PRO A 99 -1.185 -35.598 0.692 1.00 0.00 C ATOM 1456 CD PRO A 99 -1.111 -34.127 0.993 1.00 0.00 C ATOM 0 HA PRO A 99 -4.329 -34.541 0.690 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -2.875 -36.905 0.543 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -2.776 -35.713 -0.737 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -0.884 -36.189 1.557 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -0.514 -35.863 -0.125 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -0.377 -33.912 1.769 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -0.823 -33.551 0.114 1.00 0.00 H new ATOM 1464 N SER A 100 -5.136 -35.305 2.839 1.00 0.00 N ATOM 1465 CA SER A 100 -5.705 -35.884 4.050 1.00 0.00 C ATOM 1466 C SER A 100 -6.417 -37.198 3.743 1.00 0.00 C ATOM 1467 O SER A 100 -6.812 -37.451 2.604 1.00 0.00 O ATOM 1468 CB SER A 100 -6.682 -34.902 4.700 1.00 0.00 C ATOM 1469 OG SER A 100 -6.005 -33.754 5.184 1.00 0.00 O ATOM 0 H SER A 100 -5.771 -34.696 2.324 1.00 0.00 H new ATOM 0 HA SER A 100 -4.889 -36.087 4.743 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.439 -34.603 3.975 1.00 0.00 H new ATOM 0 HB3 SER A 100 -7.204 -35.393 5.521 1.00 0.00 H new ATOM 0 HG SER A 100 -6.651 -33.141 5.593 1.00 0.00 H new ATOM 1475 N SER A 101 -6.577 -38.031 4.766 1.00 0.00 N ATOM 1476 CA SER A 101 -7.237 -39.321 4.605 1.00 0.00 C ATOM 1477 C SER A 101 -8.742 -39.142 4.428 1.00 0.00 C ATOM 1478 O SER A 101 -9.365 -38.321 5.100 1.00 0.00 O ATOM 1479 CB SER A 101 -6.957 -40.215 5.815 1.00 0.00 C ATOM 1480 OG SER A 101 -7.487 -39.649 7.001 1.00 0.00 O ATOM 0 H SER A 101 -6.259 -37.836 5.715 1.00 0.00 H new ATOM 0 HA SER A 101 -6.837 -39.797 3.710 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.394 -41.200 5.652 1.00 0.00 H new ATOM 0 HB3 SER A 101 -5.882 -40.357 5.925 1.00 0.00 H new ATOM 0 HG SER A 101 -7.296 -40.240 7.759 1.00 0.00 H new ATOM 1486 N GLY A 102 -9.321 -39.919 3.517 1.00 0.00 N ATOM 1487 CA GLY A 102 -10.748 -39.832 3.267 1.00 0.00 C ATOM 1488 C GLY A 102 -11.362 -41.178 2.937 1.00 0.00 C ATOM 1489 O GLY A 102 -11.532 -42.022 3.816 1.00 0.00 O ATOM 0 H GLY A 102 -8.827 -40.607 2.948 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.243 -39.416 4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -10.928 -39.142 2.442 1.00 0.00 H new TER 1493 GLY A 102