USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=27 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 -88:sc= 0.805 USER MOD Set 1.2: A 79 CYS SG : rot -177:sc= 1.03 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 17 ASN : amide:sc= -0.0943 X(o=-0.094,f=-0.094) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 156:sc= -1.12 (180deg=-2.15) USER MOD Single : A 33 SER OG : rot -30:sc= 0.176 USER MOD Single : A 34 LYS NZ :NH3+ -139:sc= -1.01 (180deg=-2.97!) USER MOD Single : A 42 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0102) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.512 F(o=-1.7,f=-0.51) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.04 USER MOD Single : A 57 GLN : amide:sc= -0.087 X(o=-0.087,f=-0.52) USER MOD Single : A 60 THR OG1 : rot -1:sc= 0.227 USER MOD Single : A 62 CYS SG : rot -90:sc= -3.9 USER MOD Single : A 65 GLN : amide:sc= -0.0503 X(o=-0.05,f=0) USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 130:sc= -0.572 (180deg=-1.72) USER MOD Single : A 77 TYR OH : rot -29:sc= -0.405 USER MOD Single : A 81 CYS SG : rot -43:sc= -3! USER MOD Single : A 83 GLN : amide:sc= -0.013 K(o=-0.013,f=-1.7!) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.279 USER MOD Single : A 87 SER OG : rot 180:sc= 0 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 -1.859 36.774 2.724 1.00 0.00 N ATOM 2 CA GLY A 1 -0.848 35.845 2.252 1.00 0.00 C ATOM 3 C GLY A 1 -1.116 34.421 2.697 1.00 0.00 C ATOM 4 O GLY A 1 -1.814 33.672 2.015 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.630 37.733 2.393 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.789 36.493 2.354 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.883 36.763 3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.806 35.880 1.163 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.129 36.159 2.619 1.00 0.00 H new ATOM 8 N SER A 2 -0.558 34.046 3.844 1.00 0.00 N ATOM 9 CA SER A 2 -0.735 32.701 4.376 1.00 0.00 C ATOM 10 C SER A 2 -0.138 31.660 3.434 1.00 0.00 C ATOM 11 O SER A 2 -0.729 30.605 3.201 1.00 0.00 O ATOM 12 CB SER A 2 -2.221 32.410 4.600 1.00 0.00 C ATOM 13 OG SER A 2 -2.777 33.301 5.551 1.00 0.00 O ATOM 0 H SER A 2 0.020 34.655 4.422 1.00 0.00 H new ATOM 0 HA SER A 2 -0.212 32.643 5.331 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.759 32.499 3.656 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.346 31.383 4.943 1.00 0.00 H new ATOM 0 HG SER A 2 -3.727 33.096 5.675 1.00 0.00 H new ATOM 19 N SER A 3 1.037 31.966 2.893 1.00 0.00 N ATOM 20 CA SER A 3 1.714 31.060 1.973 1.00 0.00 C ATOM 21 C SER A 3 2.536 30.025 2.735 1.00 0.00 C ATOM 22 O SER A 3 2.654 30.088 3.958 1.00 0.00 O ATOM 23 CB SER A 3 2.619 31.847 1.023 1.00 0.00 C ATOM 24 OG SER A 3 1.858 32.693 0.178 1.00 0.00 O ATOM 0 H SER A 3 1.540 32.834 3.076 1.00 0.00 H new ATOM 0 HA SER A 3 0.954 30.538 1.391 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.325 32.444 1.600 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.205 31.156 0.418 1.00 0.00 H new ATOM 0 HG SER A 3 2.459 33.186 -0.418 1.00 0.00 H new ATOM 30 N GLY A 4 3.102 29.071 2.001 1.00 0.00 N ATOM 31 CA GLY A 4 3.906 28.035 2.624 1.00 0.00 C ATOM 32 C GLY A 4 3.072 26.862 3.099 1.00 0.00 C ATOM 33 O GLY A 4 3.399 25.708 2.824 1.00 0.00 O ATOM 0 H GLY A 4 3.018 28.997 0.987 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.653 27.682 1.913 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.447 28.459 3.470 1.00 0.00 H new ATOM 37 N SER A 5 1.992 27.157 3.815 1.00 0.00 N ATOM 38 CA SER A 5 1.111 26.117 4.334 1.00 0.00 C ATOM 39 C SER A 5 0.722 25.135 3.233 1.00 0.00 C ATOM 40 O SER A 5 1.047 23.949 3.300 1.00 0.00 O ATOM 41 CB SER A 5 -0.145 26.740 4.944 1.00 0.00 C ATOM 42 OG SER A 5 -1.022 25.742 5.437 1.00 0.00 O ATOM 0 H SER A 5 1.706 28.108 4.049 1.00 0.00 H new ATOM 0 HA SER A 5 1.650 25.572 5.109 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.136 27.414 5.754 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.658 27.341 4.193 1.00 0.00 H new ATOM 0 HG SER A 5 -1.816 26.166 5.823 1.00 0.00 H new ATOM 48 N SER A 6 0.024 25.638 2.220 1.00 0.00 N ATOM 49 CA SER A 6 -0.413 24.806 1.105 1.00 0.00 C ATOM 50 C SER A 6 0.779 24.147 0.419 1.00 0.00 C ATOM 51 O SER A 6 1.829 24.764 0.245 1.00 0.00 O ATOM 52 CB SER A 6 -1.200 25.643 0.094 1.00 0.00 C ATOM 53 OG SER A 6 -1.756 24.825 -0.921 1.00 0.00 O ATOM 0 H SER A 6 -0.251 26.618 2.148 1.00 0.00 H new ATOM 0 HA SER A 6 -1.061 24.023 1.500 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.996 26.184 0.606 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.544 26.389 -0.354 1.00 0.00 H new ATOM 0 HG SER A 6 -2.255 25.383 -1.554 1.00 0.00 H new ATOM 59 N GLY A 7 0.608 22.886 0.030 1.00 0.00 N ATOM 60 CA GLY A 7 1.677 22.163 -0.633 1.00 0.00 C ATOM 61 C GLY A 7 1.285 20.741 -0.983 1.00 0.00 C ATOM 62 O GLY A 7 0.595 20.060 -0.224 1.00 0.00 O ATOM 0 H GLY A 7 -0.252 22.353 0.163 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.960 22.693 -1.542 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.555 22.146 0.013 1.00 0.00 H new ATOM 66 N PRO A 8 1.729 20.274 -2.160 1.00 0.00 N ATOM 67 CA PRO A 8 1.431 18.920 -2.636 1.00 0.00 C ATOM 68 C PRO A 8 2.153 17.848 -1.827 1.00 0.00 C ATOM 69 O PRO A 8 3.164 18.122 -1.181 1.00 0.00 O ATOM 70 CB PRO A 8 1.939 18.933 -4.080 1.00 0.00 C ATOM 71 CG PRO A 8 2.994 19.984 -4.101 1.00 0.00 C ATOM 72 CD PRO A 8 2.555 21.031 -3.115 1.00 0.00 C ATOM 0 HA PRO A 8 0.372 18.679 -2.544 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.342 17.962 -4.367 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.136 19.164 -4.780 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.963 19.569 -3.824 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.102 20.409 -5.099 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.406 21.503 -2.624 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.985 21.825 -3.598 1.00 0.00 H new ATOM 80 N ALA A 9 1.628 16.628 -1.867 1.00 0.00 N ATOM 81 CA ALA A 9 2.225 15.515 -1.139 1.00 0.00 C ATOM 82 C ALA A 9 3.136 14.693 -2.044 1.00 0.00 C ATOM 83 O ALA A 9 2.762 14.338 -3.162 1.00 0.00 O ATOM 84 CB ALA A 9 1.139 14.634 -0.540 1.00 0.00 C ATOM 0 H ALA A 9 0.790 16.385 -2.396 1.00 0.00 H new ATOM 0 HA ALA A 9 2.832 15.925 -0.332 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.599 13.807 0.001 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.530 15.223 0.146 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.509 14.240 -1.337 1.00 0.00 H new ATOM 90 N LYS A 10 4.334 14.394 -1.554 1.00 0.00 N ATOM 91 CA LYS A 10 5.300 13.612 -2.318 1.00 0.00 C ATOM 92 C LYS A 10 5.782 12.408 -1.515 1.00 0.00 C ATOM 93 O LYS A 10 6.069 12.519 -0.322 1.00 0.00 O ATOM 94 CB LYS A 10 6.493 14.485 -2.714 1.00 0.00 C ATOM 95 CG LYS A 10 6.139 15.592 -3.692 1.00 0.00 C ATOM 96 CD LYS A 10 7.381 16.204 -4.317 1.00 0.00 C ATOM 97 CE LYS A 10 7.925 17.345 -3.472 1.00 0.00 C ATOM 98 NZ LYS A 10 9.341 17.660 -3.810 1.00 0.00 N ATOM 0 H LYS A 10 4.660 14.681 -0.631 1.00 0.00 H new ATOM 0 HA LYS A 10 4.806 13.251 -3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.922 14.929 -1.816 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.264 13.854 -3.156 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.495 15.194 -4.476 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.571 16.366 -3.176 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.147 15.437 -4.432 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.144 16.570 -5.316 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.310 18.233 -3.621 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.854 17.081 -2.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.675 18.443 -3.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.933 16.821 -3.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.406 17.936 -4.811 1.00 0.00 H new ATOM 112 N PHE A 11 5.871 11.259 -2.176 1.00 0.00 N ATOM 113 CA PHE A 11 6.320 10.035 -1.524 1.00 0.00 C ATOM 114 C PHE A 11 7.779 10.150 -1.094 1.00 0.00 C ATOM 115 O PHE A 11 8.673 10.318 -1.924 1.00 0.00 O ATOM 116 CB PHE A 11 6.147 8.839 -2.463 1.00 0.00 C ATOM 117 CG PHE A 11 4.710 8.499 -2.742 1.00 0.00 C ATOM 118 CD1 PHE A 11 4.025 9.121 -3.773 1.00 0.00 C ATOM 119 CD2 PHE A 11 4.046 7.557 -1.974 1.00 0.00 C ATOM 120 CE1 PHE A 11 2.704 8.811 -4.032 1.00 0.00 C ATOM 121 CE2 PHE A 11 2.724 7.242 -2.227 1.00 0.00 C ATOM 122 CZ PHE A 11 2.052 7.869 -3.259 1.00 0.00 C ATOM 0 H PHE A 11 5.638 11.150 -3.163 1.00 0.00 H new ATOM 0 HA PHE A 11 5.709 9.882 -0.635 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.652 9.051 -3.406 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.640 7.970 -2.026 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.530 9.857 -4.381 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.567 7.063 -1.168 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.181 9.304 -4.838 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.217 6.507 -1.619 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.020 7.623 -3.461 1.00 0.00 H new ATOM 132 N THR A 12 8.014 10.061 0.212 1.00 0.00 N ATOM 133 CA THR A 12 9.363 10.157 0.754 1.00 0.00 C ATOM 134 C THR A 12 10.053 8.798 0.757 1.00 0.00 C ATOM 135 O THR A 12 11.281 8.715 0.753 1.00 0.00 O ATOM 136 CB THR A 12 9.353 10.718 2.189 1.00 0.00 C ATOM 137 OG1 THR A 12 8.743 9.777 3.079 1.00 0.00 O ATOM 138 CG2 THR A 12 8.603 12.040 2.248 1.00 0.00 C ATOM 0 H THR A 12 7.287 9.923 0.914 1.00 0.00 H new ATOM 0 HA THR A 12 9.915 10.840 0.108 1.00 0.00 H new ATOM 0 HB THR A 12 10.385 10.890 2.495 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.742 10.141 3.989 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.609 12.417 3.271 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.088 12.763 1.592 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.573 11.889 1.923 1.00 0.00 H new ATOM 146 N GLU A 13 9.255 7.734 0.763 1.00 0.00 N ATOM 147 CA GLU A 13 9.791 6.378 0.767 1.00 0.00 C ATOM 148 C GLU A 13 9.230 5.569 -0.398 1.00 0.00 C ATOM 149 O GLU A 13 9.888 4.668 -0.916 1.00 0.00 O ATOM 150 CB GLU A 13 9.466 5.681 2.090 1.00 0.00 C ATOM 151 CG GLU A 13 10.018 6.401 3.309 1.00 0.00 C ATOM 152 CD GLU A 13 11.530 6.517 3.283 1.00 0.00 C ATOM 153 OE1 GLU A 13 12.205 5.602 3.800 1.00 0.00 O ATOM 154 OE2 GLU A 13 12.038 7.523 2.745 1.00 0.00 O ATOM 0 H GLU A 13 8.236 7.785 0.765 1.00 0.00 H new ATOM 0 HA GLU A 13 10.873 6.442 0.655 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.384 5.594 2.189 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.866 4.667 2.065 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.582 7.398 3.366 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.714 5.868 4.210 1.00 0.00 H new ATOM 161 N GLY A 14 8.007 5.897 -0.805 1.00 0.00 N ATOM 162 CA GLY A 14 7.377 5.191 -1.905 1.00 0.00 C ATOM 163 C GLY A 14 7.216 3.709 -1.627 1.00 0.00 C ATOM 164 O GLY A 14 7.770 3.188 -0.659 1.00 0.00 O ATOM 0 H GLY A 14 7.442 6.639 -0.392 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.398 5.629 -2.101 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.973 5.326 -2.808 1.00 0.00 H new ATOM 168 N LEU A 15 6.454 3.029 -2.477 1.00 0.00 N ATOM 169 CA LEU A 15 6.220 1.598 -2.317 1.00 0.00 C ATOM 170 C LEU A 15 7.509 0.809 -2.525 1.00 0.00 C ATOM 171 O LEU A 15 8.500 1.340 -3.026 1.00 0.00 O ATOM 172 CB LEU A 15 5.153 1.123 -3.305 1.00 0.00 C ATOM 173 CG LEU A 15 3.729 1.615 -3.043 1.00 0.00 C ATOM 174 CD1 LEU A 15 2.900 1.554 -4.317 1.00 0.00 C ATOM 175 CD2 LEU A 15 3.076 0.795 -1.940 1.00 0.00 C ATOM 0 H LEU A 15 5.988 3.445 -3.283 1.00 0.00 H new ATOM 0 HA LEU A 15 5.869 1.423 -1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.447 1.439 -4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.145 0.033 -3.304 1.00 0.00 H new ATOM 0 HG LEU A 15 3.778 2.653 -2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.890 1.908 -4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.357 2.185 -5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.858 0.525 -4.675 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.063 1.159 -1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.039 -0.253 -2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.657 0.890 -1.023 1.00 0.00 H new ATOM 187 N ARG A 16 7.487 -0.462 -2.137 1.00 0.00 N ATOM 188 CA ARG A 16 8.653 -1.325 -2.281 1.00 0.00 C ATOM 189 C ARG A 16 8.237 -2.743 -2.660 1.00 0.00 C ATOM 190 O ARG A 16 7.204 -3.238 -2.209 1.00 0.00 O ATOM 191 CB ARG A 16 9.461 -1.348 -0.982 1.00 0.00 C ATOM 192 CG ARG A 16 8.674 -1.858 0.214 1.00 0.00 C ATOM 193 CD ARG A 16 9.563 -2.016 1.438 1.00 0.00 C ATOM 194 NE ARG A 16 10.123 -0.740 1.877 1.00 0.00 N ATOM 195 CZ ARG A 16 10.704 -0.560 3.058 1.00 0.00 C ATOM 196 NH1 ARG A 16 10.802 -1.569 3.913 1.00 0.00 N ATOM 197 NH2 ARG A 16 11.190 0.630 3.384 1.00 0.00 N ATOM 0 H ARG A 16 6.674 -0.917 -1.721 1.00 0.00 H new ATOM 0 HA ARG A 16 9.275 -0.922 -3.080 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.341 -1.976 -1.122 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.819 -0.341 -0.768 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.862 -1.166 0.439 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.217 -2.817 -0.032 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.986 -2.457 2.251 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.374 -2.708 1.210 1.00 0.00 H new ATOM 0 HE ARG A 16 10.065 0.056 1.242 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.431 -2.486 3.664 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.249 -1.428 4.819 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.118 1.408 2.728 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.636 0.768 4.291 1.00 0.00 H new ATOM 211 N ASN A 17 9.047 -3.391 -3.490 1.00 0.00 N ATOM 212 CA ASN A 17 8.762 -4.752 -3.930 1.00 0.00 C ATOM 213 C ASN A 17 8.762 -5.717 -2.748 1.00 0.00 C ATOM 214 O ASN A 17 9.610 -5.626 -1.861 1.00 0.00 O ATOM 215 CB ASN A 17 9.792 -5.201 -4.969 1.00 0.00 C ATOM 216 CG ASN A 17 11.054 -5.749 -4.332 1.00 0.00 C ATOM 217 OD1 ASN A 17 11.237 -6.963 -4.236 1.00 0.00 O ATOM 218 ND2 ASN A 17 11.932 -4.855 -3.894 1.00 0.00 N ATOM 0 H ASN A 17 9.906 -2.996 -3.872 1.00 0.00 H new ATOM 0 HA ASN A 17 7.771 -4.760 -4.384 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.350 -5.965 -5.608 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.049 -4.358 -5.610 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.800 -5.164 -3.457 1.00 0.00 H new ATOM 0 HD22 ASN A 17 11.739 -3.859 -3.995 1.00 0.00 H new ATOM 225 N GLU A 18 7.806 -6.640 -2.744 1.00 0.00 N ATOM 226 CA GLU A 18 7.696 -7.621 -1.671 1.00 0.00 C ATOM 227 C GLU A 18 7.007 -8.891 -2.163 1.00 0.00 C ATOM 228 O GLU A 18 6.624 -8.989 -3.329 1.00 0.00 O ATOM 229 CB GLU A 18 6.923 -7.033 -0.489 1.00 0.00 C ATOM 230 CG GLU A 18 5.416 -7.049 -0.679 1.00 0.00 C ATOM 231 CD GLU A 18 4.690 -6.189 0.337 1.00 0.00 C ATOM 232 OE1 GLU A 18 5.242 -5.138 0.725 1.00 0.00 O ATOM 233 OE2 GLU A 18 3.571 -6.566 0.743 1.00 0.00 O ATOM 0 H GLU A 18 7.097 -6.729 -3.472 1.00 0.00 H new ATOM 0 HA GLU A 18 8.704 -7.878 -1.344 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.173 -7.593 0.412 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.249 -6.006 -0.327 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.177 -6.699 -1.683 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.055 -8.075 -0.605 1.00 0.00 H new ATOM 240 N GLU A 19 6.853 -9.859 -1.266 1.00 0.00 N ATOM 241 CA GLU A 19 6.211 -11.123 -1.609 1.00 0.00 C ATOM 242 C GLU A 19 5.345 -11.624 -0.457 1.00 0.00 C ATOM 243 O GLU A 19 5.360 -11.059 0.636 1.00 0.00 O ATOM 244 CB GLU A 19 7.263 -12.175 -1.965 1.00 0.00 C ATOM 245 CG GLU A 19 7.981 -12.752 -0.757 1.00 0.00 C ATOM 246 CD GLU A 19 8.644 -14.083 -1.053 1.00 0.00 C ATOM 247 OE1 GLU A 19 7.976 -15.126 -0.902 1.00 0.00 O ATOM 248 OE2 GLU A 19 9.833 -14.080 -1.436 1.00 0.00 O ATOM 0 H GLU A 19 7.164 -9.793 -0.297 1.00 0.00 H new ATOM 0 HA GLU A 19 5.571 -10.952 -2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.783 -12.986 -2.513 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.998 -11.729 -2.635 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.735 -12.043 -0.414 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.269 -12.879 0.058 1.00 0.00 H new ATOM 255 N ALA A 20 4.590 -12.688 -0.711 1.00 0.00 N ATOM 256 CA ALA A 20 3.719 -13.266 0.304 1.00 0.00 C ATOM 257 C ALA A 20 3.237 -14.652 -0.110 1.00 0.00 C ATOM 258 O ALA A 20 3.594 -15.151 -1.178 1.00 0.00 O ATOM 259 CB ALA A 20 2.533 -12.350 0.566 1.00 0.00 C ATOM 0 H ALA A 20 4.564 -13.167 -1.611 1.00 0.00 H new ATOM 0 HA ALA A 20 4.294 -13.370 1.224 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.891 -12.795 1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.891 -11.381 0.915 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.966 -12.217 -0.355 1.00 0.00 H new ATOM 265 N VAL A 21 2.425 -15.271 0.741 1.00 0.00 N ATOM 266 CA VAL A 21 1.894 -16.600 0.462 1.00 0.00 C ATOM 267 C VAL A 21 0.424 -16.532 0.062 1.00 0.00 C ATOM 268 O VAL A 21 -0.307 -15.643 0.497 1.00 0.00 O ATOM 269 CB VAL A 21 2.040 -17.529 1.682 1.00 0.00 C ATOM 270 CG1 VAL A 21 1.552 -18.930 1.347 1.00 0.00 C ATOM 271 CG2 VAL A 21 3.484 -17.559 2.159 1.00 0.00 C ATOM 0 H VAL A 21 2.120 -14.873 1.630 1.00 0.00 H new ATOM 0 HA VAL A 21 2.474 -17.006 -0.367 1.00 0.00 H new ATOM 0 HB VAL A 21 1.422 -17.138 2.491 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.663 -19.572 2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.502 -18.890 1.057 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.141 -19.333 0.523 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.569 -18.220 3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.125 -17.925 1.357 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.795 -16.553 2.441 1.00 0.00 H new ATOM 281 N GLU A 22 -0.001 -17.477 -0.771 1.00 0.00 N ATOM 282 CA GLU A 22 -1.384 -17.524 -1.230 1.00 0.00 C ATOM 283 C GLU A 22 -2.349 -17.555 -0.049 1.00 0.00 C ATOM 284 O GLU A 22 -2.125 -18.263 0.932 1.00 0.00 O ATOM 285 CB GLU A 22 -1.608 -18.749 -2.119 1.00 0.00 C ATOM 286 CG GLU A 22 -1.302 -18.501 -3.586 1.00 0.00 C ATOM 287 CD GLU A 22 -2.042 -19.453 -4.505 1.00 0.00 C ATOM 288 OE1 GLU A 22 -1.618 -20.623 -4.614 1.00 0.00 O ATOM 289 OE2 GLU A 22 -3.045 -19.029 -5.116 1.00 0.00 O ATOM 0 H GLU A 22 0.592 -18.220 -1.141 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.578 -16.622 -1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.984 -19.567 -1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.644 -19.073 -2.022 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.569 -17.475 -3.841 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.229 -18.602 -3.752 1.00 0.00 H new ATOM 296 N GLY A 23 -3.425 -16.780 -0.150 1.00 0.00 N ATOM 297 CA GLY A 23 -4.408 -16.732 0.916 1.00 0.00 C ATOM 298 C GLY A 23 -4.030 -15.752 2.010 1.00 0.00 C ATOM 299 O GLY A 23 -4.890 -15.275 2.749 1.00 0.00 O ATOM 0 H GLY A 23 -3.633 -16.185 -0.952 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.376 -16.452 0.501 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.521 -17.727 1.347 1.00 0.00 H new ATOM 303 N ALA A 24 -2.739 -15.453 2.114 1.00 0.00 N ATOM 304 CA ALA A 24 -2.249 -14.525 3.125 1.00 0.00 C ATOM 305 C ALA A 24 -2.711 -13.101 2.832 1.00 0.00 C ATOM 306 O ALA A 24 -3.402 -12.852 1.843 1.00 0.00 O ATOM 307 CB ALA A 24 -0.731 -14.583 3.204 1.00 0.00 C ATOM 0 H ALA A 24 -2.014 -15.840 1.510 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.663 -14.824 4.088 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.379 -13.885 3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.419 -15.593 3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.306 -14.313 2.237 1.00 0.00 H new ATOM 313 N THR A 25 -2.326 -12.169 3.698 1.00 0.00 N ATOM 314 CA THR A 25 -2.702 -10.770 3.534 1.00 0.00 C ATOM 315 C THR A 25 -1.476 -9.894 3.307 1.00 0.00 C ATOM 316 O THR A 25 -0.860 -9.413 4.258 1.00 0.00 O ATOM 317 CB THR A 25 -3.472 -10.248 4.761 1.00 0.00 C ATOM 318 OG1 THR A 25 -4.675 -11.003 4.943 1.00 0.00 O ATOM 319 CG2 THR A 25 -3.813 -8.774 4.598 1.00 0.00 C ATOM 0 H THR A 25 -1.754 -12.358 4.521 1.00 0.00 H new ATOM 0 HA THR A 25 -3.349 -10.717 2.659 1.00 0.00 H new ATOM 0 HB THR A 25 -2.835 -10.364 5.638 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.158 -10.666 5.726 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.357 -8.427 5.477 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.894 -8.198 4.489 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.433 -8.640 3.711 1.00 0.00 H new ATOM 327 N ALA A 26 -1.125 -9.691 2.041 1.00 0.00 N ATOM 328 CA ALA A 26 0.027 -8.870 1.689 1.00 0.00 C ATOM 329 C ALA A 26 0.039 -7.571 2.488 1.00 0.00 C ATOM 330 O ALA A 26 -1.005 -7.096 2.934 1.00 0.00 O ATOM 331 CB ALA A 26 0.028 -8.575 0.197 1.00 0.00 C ATOM 0 H ALA A 26 -1.622 -10.084 1.242 1.00 0.00 H new ATOM 0 HA ALA A 26 0.930 -9.427 1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.894 -7.961 -0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.075 -9.511 -0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.884 -8.041 -0.069 1.00 0.00 H new ATOM 337 N MET A 27 1.227 -7.002 2.664 1.00 0.00 N ATOM 338 CA MET A 27 1.374 -5.757 3.409 1.00 0.00 C ATOM 339 C MET A 27 2.188 -4.740 2.614 1.00 0.00 C ATOM 340 O MET A 27 3.405 -4.874 2.479 1.00 0.00 O ATOM 341 CB MET A 27 2.045 -6.021 4.759 1.00 0.00 C ATOM 342 CG MET A 27 2.352 -4.755 5.543 1.00 0.00 C ATOM 343 SD MET A 27 0.938 -4.167 6.494 1.00 0.00 S ATOM 344 CE MET A 27 0.184 -3.043 5.321 1.00 0.00 C ATOM 0 H MET A 27 2.101 -7.383 2.301 1.00 0.00 H new ATOM 0 HA MET A 27 0.379 -5.346 3.580 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.398 -6.662 5.358 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.972 -6.570 4.594 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.186 -4.944 6.219 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.671 -3.974 4.853 1.00 0.00 H new ATOM 0 HE1 MET A 27 -0.875 -2.930 5.555 1.00 0.00 H new ATOM 0 HE2 MET A 27 0.675 -2.072 5.381 1.00 0.00 H new ATOM 0 HE3 MET A 27 0.292 -3.443 4.313 1.00 0.00 H new ATOM 354 N LEU A 28 1.509 -3.726 2.090 1.00 0.00 N ATOM 355 CA LEU A 28 2.170 -2.687 1.307 1.00 0.00 C ATOM 356 C LEU A 28 1.895 -1.306 1.895 1.00 0.00 C ATOM 357 O LEU A 28 0.755 -0.844 1.912 1.00 0.00 O ATOM 358 CB LEU A 28 1.698 -2.738 -0.147 1.00 0.00 C ATOM 359 CG LEU A 28 2.114 -3.974 -0.944 1.00 0.00 C ATOM 360 CD1 LEU A 28 1.091 -4.281 -2.027 1.00 0.00 C ATOM 361 CD2 LEU A 28 3.495 -3.776 -1.553 1.00 0.00 C ATOM 0 H LEU A 28 0.502 -3.601 2.193 1.00 0.00 H new ATOM 0 HA LEU A 28 3.244 -2.869 1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.610 -2.673 -0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.075 -1.854 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 28 2.157 -4.824 -0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.404 -5.164 -2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.120 -4.467 -1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.014 -3.432 -2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.775 -4.666 -2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.478 -2.914 -2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.222 -3.606 -0.759 1.00 0.00 H new ATOM 373 N TRP A 29 2.948 -0.652 2.372 1.00 0.00 N ATOM 374 CA TRP A 29 2.821 0.677 2.958 1.00 0.00 C ATOM 375 C TRP A 29 3.663 1.692 2.193 1.00 0.00 C ATOM 376 O TRP A 29 4.572 1.323 1.449 1.00 0.00 O ATOM 377 CB TRP A 29 3.242 0.651 4.429 1.00 0.00 C ATOM 378 CG TRP A 29 4.688 0.313 4.626 1.00 0.00 C ATOM 379 CD1 TRP A 29 5.227 -0.934 4.764 1.00 0.00 C ATOM 380 CD2 TRP A 29 5.780 1.236 4.711 1.00 0.00 C ATOM 381 NE1 TRP A 29 6.588 -0.843 4.928 1.00 0.00 N ATOM 382 CE2 TRP A 29 6.952 0.478 4.898 1.00 0.00 C ATOM 383 CE3 TRP A 29 5.882 2.628 4.643 1.00 0.00 C ATOM 384 CZ2 TRP A 29 8.208 1.067 5.021 1.00 0.00 C ATOM 385 CZ3 TRP A 29 7.129 3.211 4.765 1.00 0.00 C ATOM 386 CH2 TRP A 29 8.278 2.431 4.952 1.00 0.00 C ATOM 0 H TRP A 29 3.899 -1.020 2.364 1.00 0.00 H new ATOM 0 HA TRP A 29 1.775 0.977 2.892 1.00 0.00 H new ATOM 0 HB2 TRP A 29 3.040 1.625 4.875 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.630 -0.077 4.962 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.666 -1.857 4.747 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.224 -1.631 5.052 1.00 0.00 H new ATOM 0 HE3 TRP A 29 5.002 3.237 4.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 9.095 0.468 5.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.220 4.286 4.715 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.238 2.917 5.043 1.00 0.00 H new ATOM 397 N CYS A 30 3.355 2.971 2.381 1.00 0.00 N ATOM 398 CA CYS A 30 4.084 4.039 1.707 1.00 0.00 C ATOM 399 C CYS A 30 4.067 5.318 2.539 1.00 0.00 C ATOM 400 O CYS A 30 3.118 5.575 3.279 1.00 0.00 O ATOM 401 CB CYS A 30 3.481 4.306 0.327 1.00 0.00 C ATOM 402 SG CYS A 30 1.723 4.729 0.360 1.00 0.00 S ATOM 0 H CYS A 30 2.606 3.293 2.994 1.00 0.00 H new ATOM 0 HA CYS A 30 5.119 3.719 1.587 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.031 5.119 -0.147 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.620 3.422 -0.296 1.00 0.00 H new ATOM 0 HG CYS A 30 1.014 3.640 0.315 1.00 0.00 H new ATOM 408 N GLU A 31 5.123 6.115 2.412 1.00 0.00 N ATOM 409 CA GLU A 31 5.229 7.365 3.154 1.00 0.00 C ATOM 410 C GLU A 31 5.146 8.565 2.214 1.00 0.00 C ATOM 411 O GLU A 31 5.513 8.476 1.042 1.00 0.00 O ATOM 412 CB GLU A 31 6.542 7.409 3.939 1.00 0.00 C ATOM 413 CG GLU A 31 6.431 6.838 5.343 1.00 0.00 C ATOM 414 CD GLU A 31 7.758 6.832 6.076 1.00 0.00 C ATOM 415 OE1 GLU A 31 8.314 7.927 6.305 1.00 0.00 O ATOM 416 OE2 GLU A 31 8.241 5.733 6.422 1.00 0.00 O ATOM 0 H GLU A 31 5.917 5.917 1.803 1.00 0.00 H new ATOM 0 HA GLU A 31 4.394 7.414 3.853 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.303 6.855 3.389 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.884 8.442 4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.708 7.422 5.913 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.046 5.820 5.288 1.00 0.00 H new ATOM 423 N LEU A 32 4.660 9.685 2.737 1.00 0.00 N ATOM 424 CA LEU A 32 4.528 10.904 1.945 1.00 0.00 C ATOM 425 C LEU A 32 5.078 12.108 2.703 1.00 0.00 C ATOM 426 O LEU A 32 5.337 12.033 3.904 1.00 0.00 O ATOM 427 CB LEU A 32 3.061 11.142 1.582 1.00 0.00 C ATOM 428 CG LEU A 32 2.226 9.891 1.307 1.00 0.00 C ATOM 429 CD1 LEU A 32 0.767 10.135 1.663 1.00 0.00 C ATOM 430 CD2 LEU A 32 2.358 9.470 -0.149 1.00 0.00 C ATOM 0 H LEU A 32 4.351 9.775 3.705 1.00 0.00 H new ATOM 0 HA LEU A 32 5.107 10.779 1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.592 11.696 2.395 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.025 11.780 0.699 1.00 0.00 H new ATOM 0 HG LEU A 32 2.602 9.082 1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.188 9.234 1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.688 10.388 2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.379 10.958 1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.757 8.578 -0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.009 10.276 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.403 9.253 -0.372 1.00 0.00 H new ATOM 442 N SER A 33 5.252 13.218 1.993 1.00 0.00 N ATOM 443 CA SER A 33 5.773 14.438 2.598 1.00 0.00 C ATOM 444 C SER A 33 4.761 15.038 3.570 1.00 0.00 C ATOM 445 O SER A 33 5.071 15.971 4.311 1.00 0.00 O ATOM 446 CB SER A 33 6.124 15.460 1.515 1.00 0.00 C ATOM 447 OG SER A 33 6.820 16.566 2.063 1.00 0.00 O ATOM 0 H SER A 33 5.040 13.298 0.998 1.00 0.00 H new ATOM 0 HA SER A 33 6.676 14.182 3.153 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.736 14.986 0.748 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.212 15.805 1.028 1.00 0.00 H new ATOM 0 HG SER A 33 6.535 16.705 2.990 1.00 0.00 H new ATOM 453 N LYS A 34 3.548 14.496 3.560 1.00 0.00 N ATOM 454 CA LYS A 34 2.488 14.974 4.439 1.00 0.00 C ATOM 455 C LYS A 34 1.279 14.046 4.389 1.00 0.00 C ATOM 456 O LYS A 34 1.206 13.149 3.549 1.00 0.00 O ATOM 457 CB LYS A 34 2.072 16.393 4.046 1.00 0.00 C ATOM 458 CG LYS A 34 1.177 16.446 2.819 1.00 0.00 C ATOM 459 CD LYS A 34 1.121 17.846 2.230 1.00 0.00 C ATOM 460 CE LYS A 34 2.421 18.209 1.530 1.00 0.00 C ATOM 461 NZ LYS A 34 3.386 18.864 2.457 1.00 0.00 N ATOM 0 H LYS A 34 3.275 13.724 2.952 1.00 0.00 H new ATOM 0 HA LYS A 34 2.873 14.984 5.459 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.552 16.856 4.885 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.967 16.986 3.859 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.547 15.749 2.067 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.171 16.122 3.087 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.295 17.911 1.522 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.919 18.567 3.022 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.872 17.309 1.112 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.210 18.877 0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.857 19.652 1.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.877 19.227 3.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.099 18.171 2.763 1.00 0.00 H new ATOM 475 N VAL A 35 0.330 14.267 5.294 1.00 0.00 N ATOM 476 CA VAL A 35 -0.877 13.452 5.351 1.00 0.00 C ATOM 477 C VAL A 35 -1.864 13.855 4.261 1.00 0.00 C ATOM 478 O VAL A 35 -2.515 14.896 4.353 1.00 0.00 O ATOM 479 CB VAL A 35 -1.568 13.568 6.723 1.00 0.00 C ATOM 480 CG1 VAL A 35 -2.716 12.575 6.828 1.00 0.00 C ATOM 481 CG2 VAL A 35 -0.564 13.356 7.845 1.00 0.00 C ATOM 0 H VAL A 35 0.375 15.004 5.998 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.569 12.418 5.194 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.979 14.573 6.820 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.192 12.671 7.804 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.447 12.780 6.046 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.332 11.562 6.710 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.070 13.442 8.807 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.121 12.364 7.755 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.220 14.110 7.779 1.00 0.00 H new ATOM 491 N ALA A 36 -1.971 13.024 3.230 1.00 0.00 N ATOM 492 CA ALA A 36 -2.880 13.292 2.123 1.00 0.00 C ATOM 493 C ALA A 36 -3.600 12.021 1.684 1.00 0.00 C ATOM 494 O ALA A 36 -3.136 10.905 1.916 1.00 0.00 O ATOM 495 CB ALA A 36 -2.123 13.903 0.954 1.00 0.00 C ATOM 0 H ALA A 36 -1.439 12.159 3.138 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.631 14.004 2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.815 14.098 0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.661 14.839 1.269 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.350 13.211 0.620 1.00 0.00 H new ATOM 501 N PRO A 37 -4.761 12.192 1.034 1.00 0.00 N ATOM 502 CA PRO A 37 -5.569 11.070 0.549 1.00 0.00 C ATOM 503 C PRO A 37 -4.911 10.343 -0.618 1.00 0.00 C ATOM 504 O PRO A 37 -4.856 10.861 -1.734 1.00 0.00 O ATOM 505 CB PRO A 37 -6.870 11.739 0.097 1.00 0.00 C ATOM 506 CG PRO A 37 -6.482 13.140 -0.229 1.00 0.00 C ATOM 507 CD PRO A 37 -5.374 13.495 0.723 1.00 0.00 C ATOM 0 HA PRO A 37 -5.709 10.308 1.316 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.294 11.234 -0.771 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.624 11.710 0.883 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.149 13.222 -1.264 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.329 13.817 -0.112 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.657 14.178 0.268 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.756 13.984 1.619 1.00 0.00 H new ATOM 515 N VAL A 38 -4.412 9.139 -0.354 1.00 0.00 N ATOM 516 CA VAL A 38 -3.758 8.340 -1.384 1.00 0.00 C ATOM 517 C VAL A 38 -4.773 7.515 -2.166 1.00 0.00 C ATOM 518 O VAL A 38 -5.935 7.411 -1.776 1.00 0.00 O ATOM 519 CB VAL A 38 -2.704 7.396 -0.776 1.00 0.00 C ATOM 520 CG1 VAL A 38 -1.555 8.192 -0.176 1.00 0.00 C ATOM 521 CG2 VAL A 38 -3.340 6.491 0.269 1.00 0.00 C ATOM 0 H VAL A 38 -4.448 8.696 0.564 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.263 9.037 -2.060 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.302 6.768 -1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.821 7.507 0.249 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.084 8.793 -0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.936 8.847 0.608 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.581 5.830 0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.771 7.100 1.064 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.124 5.894 -0.196 1.00 0.00 H new ATOM 531 N GLU A 39 -4.325 6.930 -3.273 1.00 0.00 N ATOM 532 CA GLU A 39 -5.196 6.114 -4.111 1.00 0.00 C ATOM 533 C GLU A 39 -4.452 4.891 -4.640 1.00 0.00 C ATOM 534 O GLU A 39 -3.605 5.002 -5.526 1.00 0.00 O ATOM 535 CB GLU A 39 -5.737 6.940 -5.280 1.00 0.00 C ATOM 536 CG GLU A 39 -6.347 8.265 -4.857 1.00 0.00 C ATOM 537 CD GLU A 39 -7.435 8.735 -5.804 1.00 0.00 C ATOM 538 OE1 GLU A 39 -8.582 8.259 -5.674 1.00 0.00 O ATOM 539 OE2 GLU A 39 -7.138 9.579 -6.675 1.00 0.00 O ATOM 0 H GLU A 39 -3.365 7.006 -3.610 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.031 5.774 -3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.928 7.131 -5.985 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.489 6.356 -5.809 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.761 8.166 -3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.564 9.021 -4.805 1.00 0.00 H new ATOM 546 N TRP A 40 -4.774 3.726 -4.089 1.00 0.00 N ATOM 547 CA TRP A 40 -4.136 2.482 -4.504 1.00 0.00 C ATOM 548 C TRP A 40 -4.777 1.940 -5.777 1.00 0.00 C ATOM 549 O TRP A 40 -6.001 1.927 -5.910 1.00 0.00 O ATOM 550 CB TRP A 40 -4.230 1.440 -3.388 1.00 0.00 C ATOM 551 CG TRP A 40 -3.678 1.920 -2.080 1.00 0.00 C ATOM 552 CD1 TRP A 40 -4.271 2.789 -1.209 1.00 0.00 C ATOM 553 CD2 TRP A 40 -2.421 1.559 -1.496 1.00 0.00 C ATOM 554 NE1 TRP A 40 -3.459 2.990 -0.119 1.00 0.00 N ATOM 555 CE2 TRP A 40 -2.319 2.246 -0.270 1.00 0.00 C ATOM 556 CE3 TRP A 40 -1.374 0.721 -1.888 1.00 0.00 C ATOM 557 CZ2 TRP A 40 -1.211 2.120 0.563 1.00 0.00 C ATOM 558 CZ3 TRP A 40 -0.275 0.597 -1.060 1.00 0.00 C ATOM 559 CH2 TRP A 40 -0.200 1.292 0.154 1.00 0.00 C ATOM 0 H TRP A 40 -5.473 3.617 -3.354 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.086 2.692 -4.709 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.274 1.157 -3.252 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.693 0.542 -3.693 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.236 3.250 -1.356 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.671 3.595 0.674 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.423 0.180 -2.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.151 2.656 1.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.541 -0.047 -1.354 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.672 1.172 0.780 1.00 0.00 H new ATOM 570 N ARG A 41 -3.943 1.494 -6.711 1.00 0.00 N ATOM 571 CA ARG A 41 -4.429 0.952 -7.974 1.00 0.00 C ATOM 572 C ARG A 41 -3.572 -0.228 -8.425 1.00 0.00 C ATOM 573 O ARG A 41 -2.435 -0.388 -7.982 1.00 0.00 O ATOM 574 CB ARG A 41 -4.430 2.037 -9.052 1.00 0.00 C ATOM 575 CG ARG A 41 -5.728 2.824 -9.123 1.00 0.00 C ATOM 576 CD ARG A 41 -5.514 4.195 -9.745 1.00 0.00 C ATOM 577 NE ARG A 41 -6.702 4.666 -10.453 1.00 0.00 N ATOM 578 CZ ARG A 41 -7.192 4.080 -11.539 1.00 0.00 C ATOM 579 NH1 ARG A 41 -6.599 3.005 -12.040 1.00 0.00 N ATOM 580 NH2 ARG A 41 -8.277 4.568 -12.126 1.00 0.00 N ATOM 0 H ARG A 41 -2.927 1.497 -6.617 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.449 0.600 -7.821 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.607 2.726 -8.863 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.242 1.575 -10.021 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.461 2.268 -9.708 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.141 2.938 -8.121 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.249 4.909 -8.966 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.673 4.152 -10.437 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.182 5.491 -10.093 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.765 2.627 -11.591 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.977 2.556 -12.874 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.736 5.395 -11.743 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.652 4.117 -12.960 1.00 0.00 H new ATOM 594 N LYS A 42 -4.127 -1.051 -9.308 1.00 0.00 N ATOM 595 CA LYS A 42 -3.415 -2.216 -9.820 1.00 0.00 C ATOM 596 C LYS A 42 -3.460 -2.254 -11.344 1.00 0.00 C ATOM 597 O LYS A 42 -4.325 -2.900 -11.934 1.00 0.00 O ATOM 598 CB LYS A 42 -4.021 -3.501 -9.249 1.00 0.00 C ATOM 599 CG LYS A 42 -3.146 -4.726 -9.448 1.00 0.00 C ATOM 600 CD LYS A 42 -3.664 -5.916 -8.657 1.00 0.00 C ATOM 601 CE LYS A 42 -3.119 -7.227 -9.202 1.00 0.00 C ATOM 602 NZ LYS A 42 -3.826 -7.649 -10.443 1.00 0.00 N ATOM 0 H LYS A 42 -5.068 -0.933 -9.684 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.374 -2.142 -9.506 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.204 -3.364 -8.183 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.989 -3.676 -9.718 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.110 -4.980 -10.507 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.125 -4.499 -9.139 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.380 -5.810 -7.610 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.753 -5.931 -8.692 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.054 -7.119 -9.409 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.219 -8.005 -8.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.497 -8.594 -10.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.850 -7.678 -10.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.625 -6.970 -11.205 1.00 0.00 H new ATOM 616 N GLY A 43 -2.519 -1.558 -11.977 1.00 0.00 N ATOM 617 CA GLY A 43 -2.469 -1.527 -13.427 1.00 0.00 C ATOM 618 C GLY A 43 -3.757 -1.017 -14.041 1.00 0.00 C ATOM 619 O GLY A 43 -4.200 0.099 -13.769 1.00 0.00 O ATOM 0 H GLY A 43 -1.791 -1.016 -11.511 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.642 -0.892 -13.745 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.264 -2.530 -13.802 1.00 0.00 H new ATOM 623 N PRO A 44 -4.380 -1.845 -14.892 1.00 0.00 N ATOM 624 CA PRO A 44 -5.633 -1.492 -15.566 1.00 0.00 C ATOM 625 C PRO A 44 -6.814 -1.438 -14.602 1.00 0.00 C ATOM 626 O PRO A 44 -7.781 -0.713 -14.832 1.00 0.00 O ATOM 627 CB PRO A 44 -5.822 -2.624 -16.579 1.00 0.00 C ATOM 628 CG PRO A 44 -5.080 -3.778 -16.001 1.00 0.00 C ATOM 629 CD PRO A 44 -3.909 -3.190 -15.263 1.00 0.00 C ATOM 0 HA PRO A 44 -5.588 -0.501 -16.017 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -6.877 -2.860 -16.716 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.427 -2.350 -17.557 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.716 -4.353 -15.328 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.746 -4.459 -16.784 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.649 -3.781 -14.385 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.019 -3.145 -15.891 1.00 0.00 H new ATOM 637 N GLU A 45 -6.726 -2.208 -13.522 1.00 0.00 N ATOM 638 CA GLU A 45 -7.789 -2.246 -12.524 1.00 0.00 C ATOM 639 C GLU A 45 -7.709 -1.036 -11.597 1.00 0.00 C ATOM 640 O GLU A 45 -6.755 -0.261 -11.653 1.00 0.00 O ATOM 641 CB GLU A 45 -7.703 -3.536 -11.705 1.00 0.00 C ATOM 642 CG GLU A 45 -8.387 -4.722 -12.363 1.00 0.00 C ATOM 643 CD GLU A 45 -7.839 -5.018 -13.745 1.00 0.00 C ATOM 644 OE1 GLU A 45 -6.735 -5.596 -13.833 1.00 0.00 O ATOM 645 OE2 GLU A 45 -8.512 -4.673 -14.738 1.00 0.00 O ATOM 0 H GLU A 45 -5.931 -2.813 -13.316 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.745 -2.218 -13.047 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.654 -3.780 -11.536 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.152 -3.366 -10.726 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.266 -5.602 -11.732 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.457 -4.526 -12.435 1.00 0.00 H new ATOM 652 N ASN A 46 -8.719 -0.882 -10.747 1.00 0.00 N ATOM 653 CA ASN A 46 -8.764 0.234 -9.809 1.00 0.00 C ATOM 654 C ASN A 46 -9.089 -0.252 -8.400 1.00 0.00 C ATOM 655 O ASN A 46 -10.158 -0.814 -8.157 1.00 0.00 O ATOM 656 CB ASN A 46 -9.804 1.263 -10.258 1.00 0.00 C ATOM 657 CG ASN A 46 -11.202 0.679 -10.329 1.00 0.00 C ATOM 658 OD1 ASN A 46 -11.403 -0.264 -11.242 1.00 0.00 O flip ATOM 659 ND2 ASN A 46 -12.089 1.071 -9.571 1.00 0.00 N flip ATOM 0 H ASN A 46 -9.517 -1.515 -10.688 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.780 0.704 -9.794 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.800 2.105 -9.566 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.526 1.653 -11.237 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.889 1.798 -8.884 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -13.024 0.669 -9.629 1.00 0.00 H new ATOM 666 N LEU A 47 -8.161 -0.033 -7.476 1.00 0.00 N ATOM 667 CA LEU A 47 -8.348 -0.448 -6.090 1.00 0.00 C ATOM 668 C LEU A 47 -8.757 0.735 -5.218 1.00 0.00 C ATOM 669 O LEU A 47 -8.550 1.891 -5.586 1.00 0.00 O ATOM 670 CB LEU A 47 -7.063 -1.076 -5.547 1.00 0.00 C ATOM 671 CG LEU A 47 -6.283 -1.959 -6.522 1.00 0.00 C ATOM 672 CD1 LEU A 47 -4.958 -2.387 -5.912 1.00 0.00 C ATOM 673 CD2 LEU A 47 -7.109 -3.175 -6.916 1.00 0.00 C ATOM 0 H LEU A 47 -7.271 0.430 -7.661 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.147 -1.189 -6.063 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.406 -0.275 -5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.316 -1.673 -4.671 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.074 -1.379 -7.421 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.417 -3.015 -6.620 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.362 -1.504 -5.681 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.144 -2.950 -4.997 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.539 -3.793 -7.610 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.348 -3.756 -6.026 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.032 -2.848 -7.395 1.00 0.00 H new ATOM 685 N ARG A 48 -9.337 0.436 -4.060 1.00 0.00 N ATOM 686 CA ARG A 48 -9.774 1.475 -3.134 1.00 0.00 C ATOM 687 C ARG A 48 -10.085 0.885 -1.762 1.00 0.00 C ATOM 688 O ARG A 48 -10.095 -0.334 -1.587 1.00 0.00 O ATOM 689 CB ARG A 48 -11.008 2.191 -3.685 1.00 0.00 C ATOM 690 CG ARG A 48 -12.217 1.284 -3.849 1.00 0.00 C ATOM 691 CD ARG A 48 -13.059 1.244 -2.584 1.00 0.00 C ATOM 692 NE ARG A 48 -14.066 2.302 -2.563 1.00 0.00 N ATOM 693 CZ ARG A 48 -15.115 2.335 -3.376 1.00 0.00 C ATOM 694 NH1 ARG A 48 -15.295 1.372 -4.270 1.00 0.00 N ATOM 695 NH2 ARG A 48 -15.988 3.331 -3.296 1.00 0.00 N ATOM 0 H ARG A 48 -9.515 -0.516 -3.741 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.963 2.195 -3.025 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.269 3.013 -3.018 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.761 2.631 -4.651 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -12.826 1.635 -4.682 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -11.886 0.276 -4.099 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.550 0.274 -2.506 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -12.410 1.343 -1.714 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.957 3.057 -1.886 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -14.627 0.604 -4.334 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -16.102 1.399 -4.894 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -15.854 4.073 -2.609 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.793 3.355 -3.921 1.00 0.00 H new ATOM 709 N ASP A 49 -10.338 1.756 -0.793 1.00 0.00 N ATOM 710 CA ASP A 49 -10.650 1.322 0.564 1.00 0.00 C ATOM 711 C ASP A 49 -11.991 0.595 0.607 1.00 0.00 C ATOM 712 O ASP A 49 -13.049 1.217 0.518 1.00 0.00 O ATOM 713 CB ASP A 49 -10.676 2.521 1.513 1.00 0.00 C ATOM 714 CG ASP A 49 -11.694 3.565 1.100 1.00 0.00 C ATOM 715 OD1 ASP A 49 -11.941 3.703 -0.116 1.00 0.00 O ATOM 716 OD2 ASP A 49 -12.243 4.245 1.993 1.00 0.00 O ATOM 0 H ASP A 49 -10.333 2.768 -0.921 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.871 0.631 0.886 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.902 2.177 2.522 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.686 2.976 1.546 1.00 0.00 H new ATOM 721 N GLY A 50 -11.938 -0.727 0.744 1.00 0.00 N ATOM 722 CA GLY A 50 -13.154 -1.517 0.795 1.00 0.00 C ATOM 723 C GLY A 50 -13.010 -2.747 1.668 1.00 0.00 C ATOM 724 O GLY A 50 -12.014 -2.901 2.375 1.00 0.00 O ATOM 0 H GLY A 50 -11.074 -1.264 0.821 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.969 -0.900 1.174 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.428 -1.822 -0.215 1.00 0.00 H new ATOM 728 N ASP A 51 -14.007 -3.623 1.622 1.00 0.00 N ATOM 729 CA ASP A 51 -13.988 -4.846 2.416 1.00 0.00 C ATOM 730 C ASP A 51 -12.802 -5.726 2.031 1.00 0.00 C ATOM 731 O ASP A 51 -11.948 -6.032 2.862 1.00 0.00 O ATOM 732 CB ASP A 51 -15.294 -5.620 2.232 1.00 0.00 C ATOM 733 CG ASP A 51 -15.614 -6.506 3.420 1.00 0.00 C ATOM 734 OD1 ASP A 51 -14.948 -7.550 3.578 1.00 0.00 O ATOM 735 OD2 ASP A 51 -16.533 -6.156 4.191 1.00 0.00 O ATOM 0 H ASP A 51 -14.839 -3.509 1.043 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.885 -4.567 3.465 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -16.111 -4.916 2.077 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.226 -6.233 1.333 1.00 0.00 H new ATOM 740 N ARG A 52 -12.759 -6.130 0.765 1.00 0.00 N ATOM 741 CA ARG A 52 -11.680 -6.976 0.270 1.00 0.00 C ATOM 742 C ARG A 52 -10.330 -6.280 0.419 1.00 0.00 C ATOM 743 O ARG A 52 -9.338 -6.901 0.798 1.00 0.00 O ATOM 744 CB ARG A 52 -11.919 -7.339 -1.196 1.00 0.00 C ATOM 745 CG ARG A 52 -12.125 -6.132 -2.097 1.00 0.00 C ATOM 746 CD ARG A 52 -12.420 -6.549 -3.529 1.00 0.00 C ATOM 747 NE ARG A 52 -13.826 -6.893 -3.721 1.00 0.00 N ATOM 748 CZ ARG A 52 -14.364 -7.153 -4.907 1.00 0.00 C ATOM 749 NH1 ARG A 52 -13.616 -7.110 -6.002 1.00 0.00 N ATOM 750 NH2 ARG A 52 -15.652 -7.459 -5.001 1.00 0.00 N ATOM 0 H ARG A 52 -13.459 -5.885 0.064 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.666 -7.889 0.866 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.069 -7.914 -1.562 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.794 -7.986 -1.263 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.949 -5.529 -1.716 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.234 -5.505 -2.076 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.150 -5.738 -4.205 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.798 -7.405 -3.793 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.428 -6.936 -2.899 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.625 -6.877 -5.934 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -14.032 -7.310 -6.912 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.230 -7.495 -4.162 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -16.064 -7.658 -5.913 1.00 0.00 H new ATOM 764 N TYR A 53 -10.302 -4.986 0.118 1.00 0.00 N ATOM 765 CA TYR A 53 -9.074 -4.205 0.215 1.00 0.00 C ATOM 766 C TYR A 53 -9.046 -3.394 1.507 1.00 0.00 C ATOM 767 O TYR A 53 -9.729 -2.377 1.629 1.00 0.00 O ATOM 768 CB TYR A 53 -8.942 -3.272 -0.990 1.00 0.00 C ATOM 769 CG TYR A 53 -8.744 -3.999 -2.300 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.546 -4.641 -2.587 1.00 0.00 C ATOM 771 CD2 TYR A 53 -9.755 -4.045 -3.252 1.00 0.00 C ATOM 772 CE1 TYR A 53 -7.360 -5.306 -3.784 1.00 0.00 C ATOM 773 CE2 TYR A 53 -9.579 -4.709 -4.450 1.00 0.00 C ATOM 774 CZ TYR A 53 -8.380 -5.338 -4.712 1.00 0.00 C ATOM 775 OH TYR A 53 -8.200 -5.999 -5.905 1.00 0.00 O ATOM 0 H TYR A 53 -11.115 -4.456 -0.195 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.232 -4.897 0.223 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -9.837 -2.653 -1.059 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.100 -2.599 -0.827 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.746 -4.620 -1.862 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -10.695 -3.553 -3.052 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.421 -5.798 -3.992 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.376 -4.736 -5.178 1.00 0.00 H new ATOM 0 HH TYR A 53 -9.015 -5.927 -6.445 1.00 0.00 H new ATOM 785 N ILE A 54 -8.250 -3.852 2.467 1.00 0.00 N ATOM 786 CA ILE A 54 -8.130 -3.169 3.749 1.00 0.00 C ATOM 787 C ILE A 54 -7.075 -2.069 3.690 1.00 0.00 C ATOM 788 O ILE A 54 -5.875 -2.340 3.763 1.00 0.00 O ATOM 789 CB ILE A 54 -7.768 -4.151 4.879 1.00 0.00 C ATOM 790 CG1 ILE A 54 -8.858 -5.215 5.028 1.00 0.00 C ATOM 791 CG2 ILE A 54 -7.569 -3.402 6.188 1.00 0.00 C ATOM 792 CD1 ILE A 54 -8.419 -6.421 5.828 1.00 0.00 C ATOM 0 H ILE A 54 -7.679 -4.693 2.381 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.103 -2.725 3.962 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.833 -4.649 4.622 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.728 -4.767 5.508 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.174 -5.542 4.037 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.314 -4.110 6.977 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.762 -2.679 6.074 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.489 -2.880 6.452 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.241 -7.133 5.893 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.568 -6.893 5.337 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.131 -6.107 6.831 1.00 0.00 H new ATOM 804 N LEU A 55 -7.529 -0.828 3.558 1.00 0.00 N ATOM 805 CA LEU A 55 -6.624 0.315 3.490 1.00 0.00 C ATOM 806 C LEU A 55 -6.638 1.099 4.798 1.00 0.00 C ATOM 807 O LEU A 55 -7.625 1.079 5.535 1.00 0.00 O ATOM 808 CB LEU A 55 -7.014 1.231 2.329 1.00 0.00 C ATOM 809 CG LEU A 55 -6.793 0.667 0.925 1.00 0.00 C ATOM 810 CD1 LEU A 55 -7.752 -0.481 0.654 1.00 0.00 C ATOM 811 CD2 LEU A 55 -6.957 1.760 -0.121 1.00 0.00 C ATOM 0 H LEU A 55 -8.518 -0.587 3.496 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.615 -0.062 3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.068 1.488 2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.449 2.159 2.419 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.774 0.284 0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.580 -0.870 -0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.586 -1.274 1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.779 -0.124 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.796 1.340 -1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.964 2.173 -0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.229 2.550 0.061 1.00 0.00 H new ATOM 823 N ARG A 56 -5.538 1.790 5.080 1.00 0.00 N ATOM 824 CA ARG A 56 -5.425 2.581 6.299 1.00 0.00 C ATOM 825 C ARG A 56 -4.403 3.701 6.127 1.00 0.00 C ATOM 826 O ARG A 56 -3.695 3.759 5.122 1.00 0.00 O ATOM 827 CB ARG A 56 -5.026 1.689 7.477 1.00 0.00 C ATOM 828 CG ARG A 56 -6.212 1.092 8.217 1.00 0.00 C ATOM 829 CD ARG A 56 -5.771 0.353 9.470 1.00 0.00 C ATOM 830 NE ARG A 56 -6.878 0.138 10.398 1.00 0.00 N ATOM 831 CZ ARG A 56 -6.719 -0.273 11.651 1.00 0.00 C ATOM 832 NH1 ARG A 56 -5.504 -0.513 12.124 1.00 0.00 N ATOM 833 NH2 ARG A 56 -7.776 -0.445 12.434 1.00 0.00 N ATOM 0 H ARG A 56 -4.713 1.818 4.481 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.398 3.028 6.504 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.392 0.881 7.112 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.428 2.272 8.177 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.910 1.884 8.487 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.746 0.407 7.558 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.340 -0.609 9.191 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.986 0.921 9.968 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.826 0.313 10.065 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.689 -0.382 11.525 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.385 -0.829 13.087 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.713 -0.262 12.074 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.652 -0.761 13.396 1.00 0.00 H new ATOM 847 N GLN A 57 -4.334 4.589 7.114 1.00 0.00 N ATOM 848 CA GLN A 57 -3.399 5.707 7.070 1.00 0.00 C ATOM 849 C GLN A 57 -2.952 6.098 8.475 1.00 0.00 C ATOM 850 O GLN A 57 -3.777 6.377 9.344 1.00 0.00 O ATOM 851 CB GLN A 57 -4.042 6.909 6.374 1.00 0.00 C ATOM 852 CG GLN A 57 -3.050 7.999 6.003 1.00 0.00 C ATOM 853 CD GLN A 57 -3.720 9.216 5.397 1.00 0.00 C ATOM 854 OE1 GLN A 57 -4.784 9.641 5.847 1.00 0.00 O ATOM 855 NE2 GLN A 57 -3.098 9.785 4.370 1.00 0.00 N ATOM 0 H GLN A 57 -4.914 4.556 7.953 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.522 5.393 6.503 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.548 6.568 5.471 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.805 7.331 7.027 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.496 8.299 6.893 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.324 7.599 5.295 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.217 9.399 4.030 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.501 10.608 3.922 1.00 0.00 H new ATOM 864 N GLU A 58 -1.640 6.116 8.689 1.00 0.00 N ATOM 865 CA GLU A 58 -1.084 6.471 9.989 1.00 0.00 C ATOM 866 C GLU A 58 -0.044 7.580 9.851 1.00 0.00 C ATOM 867 O GLU A 58 1.159 7.325 9.884 1.00 0.00 O ATOM 868 CB GLU A 58 -0.453 5.245 10.651 1.00 0.00 C ATOM 869 CG GLU A 58 -1.468 4.214 11.116 1.00 0.00 C ATOM 870 CD GLU A 58 -2.564 4.820 11.971 1.00 0.00 C ATOM 871 OE1 GLU A 58 -2.305 5.091 13.162 1.00 0.00 O ATOM 872 OE2 GLU A 58 -3.681 5.021 11.450 1.00 0.00 O ATOM 0 H GLU A 58 -0.943 5.889 7.979 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.898 6.835 10.616 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.233 4.775 9.946 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.141 5.569 11.506 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.915 3.732 10.247 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.957 3.437 11.684 1.00 0.00 H new ATOM 879 N GLY A 59 -0.518 8.812 9.696 1.00 0.00 N ATOM 880 CA GLY A 59 0.383 9.941 9.555 1.00 0.00 C ATOM 881 C GLY A 59 1.356 9.767 8.405 1.00 0.00 C ATOM 882 O GLY A 59 2.226 8.897 8.445 1.00 0.00 O ATOM 0 H GLY A 59 -1.510 9.049 9.666 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.199 10.849 9.400 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.941 10.074 10.482 1.00 0.00 H new ATOM 886 N THR A 60 1.208 10.595 7.376 1.00 0.00 N ATOM 887 CA THR A 60 2.079 10.526 6.209 1.00 0.00 C ATOM 888 C THR A 60 2.393 9.081 5.842 1.00 0.00 C ATOM 889 O THR A 60 3.419 8.797 5.223 1.00 0.00 O ATOM 890 CB THR A 60 3.399 11.282 6.448 1.00 0.00 C ATOM 891 OG1 THR A 60 4.122 10.677 7.526 1.00 0.00 O ATOM 892 CG2 THR A 60 3.134 12.746 6.767 1.00 0.00 C ATOM 0 H THR A 60 0.493 11.321 7.327 1.00 0.00 H new ATOM 0 HA THR A 60 1.543 10.998 5.386 1.00 0.00 H new ATOM 0 HB THR A 60 3.994 11.227 5.536 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.603 9.930 7.889 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.081 13.260 6.932 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.610 13.211 5.932 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.521 12.817 7.666 1.00 0.00 H new ATOM 900 N ARG A 61 1.505 8.170 6.227 1.00 0.00 N ATOM 901 CA ARG A 61 1.689 6.753 5.938 1.00 0.00 C ATOM 902 C ARG A 61 0.362 6.097 5.569 1.00 0.00 C ATOM 903 O ARG A 61 -0.686 6.441 6.116 1.00 0.00 O ATOM 904 CB ARG A 61 2.304 6.041 7.145 1.00 0.00 C ATOM 905 CG ARG A 61 2.542 4.557 6.919 1.00 0.00 C ATOM 906 CD ARG A 61 2.469 3.777 8.222 1.00 0.00 C ATOM 907 NE ARG A 61 1.118 3.295 8.497 1.00 0.00 N ATOM 908 CZ ARG A 61 0.822 2.464 9.490 1.00 0.00 C ATOM 909 NH1 ARG A 61 1.776 2.024 10.298 1.00 0.00 N ATOM 910 NH2 ARG A 61 -0.432 2.070 9.676 1.00 0.00 N ATOM 0 H ARG A 61 0.651 8.388 6.740 1.00 0.00 H new ATOM 0 HA ARG A 61 2.366 6.666 5.089 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.252 6.519 7.394 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.647 6.168 8.005 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.800 4.171 6.220 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.520 4.410 6.460 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.154 2.930 8.176 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.802 4.412 9.043 1.00 0.00 H new ATOM 0 HE ARG A 61 0.360 3.614 7.893 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.741 2.323 10.158 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.545 1.386 11.060 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.169 2.405 9.056 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.658 1.432 10.439 1.00 0.00 H new ATOM 924 N CYS A 62 0.415 5.151 4.637 1.00 0.00 N ATOM 925 CA CYS A 62 -0.783 4.448 4.193 1.00 0.00 C ATOM 926 C CYS A 62 -0.526 2.948 4.091 1.00 0.00 C ATOM 927 O CYS A 62 0.268 2.500 3.264 1.00 0.00 O ATOM 928 CB CYS A 62 -1.248 4.991 2.841 1.00 0.00 C ATOM 929 SG CYS A 62 -1.497 6.782 2.812 1.00 0.00 S ATOM 0 H CYS A 62 1.274 4.854 4.175 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.567 4.615 4.932 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.512 4.725 2.082 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.182 4.500 2.566 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.725 7.055 3.142 1.00 0.00 H new ATOM 935 N GLU A 63 -1.203 2.177 4.937 1.00 0.00 N ATOM 936 CA GLU A 63 -1.045 0.728 4.942 1.00 0.00 C ATOM 937 C GLU A 63 -2.131 0.059 4.105 1.00 0.00 C ATOM 938 O GLU A 63 -3.319 0.336 4.272 1.00 0.00 O ATOM 939 CB GLU A 63 -1.089 0.193 6.375 1.00 0.00 C ATOM 940 CG GLU A 63 0.261 0.211 7.073 1.00 0.00 C ATOM 941 CD GLU A 63 0.348 -0.799 8.201 1.00 0.00 C ATOM 942 OE1 GLU A 63 -0.699 -1.089 8.818 1.00 0.00 O ATOM 943 OE2 GLU A 63 1.461 -1.298 8.467 1.00 0.00 O ATOM 0 H GLU A 63 -1.865 2.532 5.627 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.075 0.493 4.503 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.796 0.787 6.954 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.468 -0.829 6.361 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.045 0.005 6.345 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.448 1.209 7.469 1.00 0.00 H new ATOM 950 N LEU A 64 -1.715 -0.822 3.202 1.00 0.00 N ATOM 951 CA LEU A 64 -2.651 -1.532 2.337 1.00 0.00 C ATOM 952 C LEU A 64 -2.563 -3.038 2.558 1.00 0.00 C ATOM 953 O LEU A 64 -1.480 -3.620 2.503 1.00 0.00 O ATOM 954 CB LEU A 64 -2.369 -1.203 0.869 1.00 0.00 C ATOM 955 CG LEU A 64 -2.974 -2.157 -0.161 1.00 0.00 C ATOM 956 CD1 LEU A 64 -4.453 -1.863 -0.357 1.00 0.00 C ATOM 957 CD2 LEU A 64 -2.228 -2.058 -1.483 1.00 0.00 C ATOM 0 H LEU A 64 -0.735 -1.062 3.050 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.660 -1.205 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.739 -0.198 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.289 -1.181 0.723 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.874 -3.176 0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.866 -2.552 -1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.977 -1.987 0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.577 -0.839 -0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.673 -2.744 -2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.295 -1.039 -1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.181 -2.320 -1.331 1.00 0.00 H new ATOM 969 N GLN A 65 -3.710 -3.662 2.806 1.00 0.00 N ATOM 970 CA GLN A 65 -3.762 -5.102 3.034 1.00 0.00 C ATOM 971 C GLN A 65 -4.722 -5.773 2.058 1.00 0.00 C ATOM 972 O GLN A 65 -5.934 -5.562 2.120 1.00 0.00 O ATOM 973 CB GLN A 65 -4.189 -5.396 4.473 1.00 0.00 C ATOM 974 CG GLN A 65 -3.025 -5.494 5.445 1.00 0.00 C ATOM 975 CD GLN A 65 -3.456 -5.330 6.889 1.00 0.00 C ATOM 976 OE1 GLN A 65 -3.290 -6.236 7.706 1.00 0.00 O ATOM 977 NE2 GLN A 65 -4.013 -4.169 7.213 1.00 0.00 N ATOM 0 H GLN A 65 -4.615 -3.194 2.854 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.764 -5.508 2.869 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.867 -4.612 4.809 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.748 -6.331 4.493 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.535 -6.460 5.323 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.287 -4.730 5.201 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.132 -3.445 6.504 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.322 -4.001 8.170 1.00 0.00 H new ATOM 986 N ILE A 66 -4.173 -6.581 1.157 1.00 0.00 N ATOM 987 CA ILE A 66 -4.982 -7.284 0.168 1.00 0.00 C ATOM 988 C ILE A 66 -5.526 -8.592 0.733 1.00 0.00 C ATOM 989 O ILE A 66 -4.869 -9.631 0.664 1.00 0.00 O ATOM 990 CB ILE A 66 -4.175 -7.585 -1.108 1.00 0.00 C ATOM 991 CG1 ILE A 66 -3.537 -6.303 -1.649 1.00 0.00 C ATOM 992 CG2 ILE A 66 -5.068 -8.224 -2.161 1.00 0.00 C ATOM 993 CD1 ILE A 66 -2.242 -6.541 -2.393 1.00 0.00 C ATOM 0 H ILE A 66 -3.172 -6.765 1.091 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.814 -6.626 -0.085 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.379 -8.287 -0.860 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.244 -5.808 -2.315 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.350 -5.621 -0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.483 -8.431 -3.057 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.479 -9.156 -1.773 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.883 -7.544 -2.409 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.846 -5.589 -2.748 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.519 -7.008 -1.724 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.426 -7.197 -3.243 1.00 0.00 H new ATOM 1005 N CYS A 67 -6.731 -8.533 1.288 1.00 0.00 N ATOM 1006 CA CYS A 67 -7.366 -9.714 1.864 1.00 0.00 C ATOM 1007 C CYS A 67 -7.665 -10.751 0.786 1.00 0.00 C ATOM 1008 O CYS A 67 -8.460 -10.506 -0.121 1.00 0.00 O ATOM 1009 CB CYS A 67 -8.656 -9.324 2.586 1.00 0.00 C ATOM 1010 SG CYS A 67 -9.162 -10.488 3.874 1.00 0.00 S ATOM 0 H CYS A 67 -7.288 -7.681 1.352 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.675 -10.154 2.583 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.526 -8.338 3.033 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.458 -9.238 1.853 1.00 0.00 H new ATOM 0 HG CYS A 67 -10.261 -10.071 4.428 1.00 0.00 H new ATOM 1016 N GLY A 68 -7.021 -11.909 0.890 1.00 0.00 N ATOM 1017 CA GLY A 68 -7.230 -12.965 -0.083 1.00 0.00 C ATOM 1018 C GLY A 68 -6.220 -12.920 -1.213 1.00 0.00 C ATOM 1019 O GLY A 68 -6.563 -12.595 -2.350 1.00 0.00 O ATOM 0 H GLY A 68 -6.358 -12.135 1.631 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.169 -13.932 0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.236 -12.881 -0.495 1.00 0.00 H new ATOM 1023 N LEU A 69 -4.971 -13.246 -0.900 1.00 0.00 N ATOM 1024 CA LEU A 69 -3.906 -13.241 -1.897 1.00 0.00 C ATOM 1025 C LEU A 69 -4.070 -14.401 -2.875 1.00 0.00 C ATOM 1026 O LEU A 69 -4.744 -15.386 -2.576 1.00 0.00 O ATOM 1027 CB LEU A 69 -2.540 -13.323 -1.214 1.00 0.00 C ATOM 1028 CG LEU A 69 -1.987 -12.010 -0.659 1.00 0.00 C ATOM 1029 CD1 LEU A 69 -0.744 -12.267 0.178 1.00 0.00 C ATOM 1030 CD2 LEU A 69 -1.680 -11.040 -1.790 1.00 0.00 C ATOM 0 H LEU A 69 -4.671 -13.517 0.036 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.970 -12.307 -2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.608 -14.040 -0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.822 -13.723 -1.930 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.745 -11.560 -0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.364 -11.321 0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.995 -12.925 1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.020 -12.739 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.287 -10.111 -1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.940 -11.482 -2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.593 -10.831 -2.348 1.00 0.00 H new ATOM 1042 N ALA A 70 -3.447 -14.276 -4.042 1.00 0.00 N ATOM 1043 CA ALA A 70 -3.520 -15.316 -5.061 1.00 0.00 C ATOM 1044 C ALA A 70 -2.565 -15.023 -6.213 1.00 0.00 C ATOM 1045 O ALA A 70 -2.216 -13.870 -6.465 1.00 0.00 O ATOM 1046 CB ALA A 70 -4.945 -15.452 -5.576 1.00 0.00 C ATOM 0 H ALA A 70 -2.886 -13.466 -4.305 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.219 -16.259 -4.605 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.984 -16.232 -6.336 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.606 -15.716 -4.751 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.267 -14.506 -6.010 1.00 0.00 H new ATOM 1052 N MET A 71 -2.145 -16.074 -6.910 1.00 0.00 N ATOM 1053 CA MET A 71 -1.230 -15.928 -8.036 1.00 0.00 C ATOM 1054 C MET A 71 -1.549 -14.668 -8.835 1.00 0.00 C ATOM 1055 O MET A 71 -0.647 -13.973 -9.301 1.00 0.00 O ATOM 1056 CB MET A 71 -1.307 -17.156 -8.945 1.00 0.00 C ATOM 1057 CG MET A 71 -0.903 -18.449 -8.255 1.00 0.00 C ATOM 1058 SD MET A 71 0.873 -18.752 -8.330 1.00 0.00 S ATOM 1059 CE MET A 71 1.399 -18.068 -6.761 1.00 0.00 C ATOM 0 H MET A 71 -2.424 -17.036 -6.715 1.00 0.00 H new ATOM 0 HA MET A 71 -0.218 -15.840 -7.641 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.325 -17.257 -9.320 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.663 -16.999 -9.810 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.218 -18.413 -7.212 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.430 -19.283 -8.718 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.026 -18.792 -6.240 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.968 -17.154 -6.935 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.524 -17.841 -6.152 1.00 0.00 H new ATOM 1069 N ALA A 72 -2.837 -14.382 -8.991 1.00 0.00 N ATOM 1070 CA ALA A 72 -3.274 -13.205 -9.732 1.00 0.00 C ATOM 1071 C ALA A 72 -2.796 -11.923 -9.058 1.00 0.00 C ATOM 1072 O ALA A 72 -2.232 -11.042 -9.708 1.00 0.00 O ATOM 1073 CB ALA A 72 -4.789 -13.199 -9.868 1.00 0.00 C ATOM 0 H ALA A 72 -3.596 -14.949 -8.614 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.831 -13.248 -10.727 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.101 -12.315 -10.423 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.110 -14.094 -10.401 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.243 -13.184 -8.877 1.00 0.00 H new ATOM 1079 N ASP A 73 -3.027 -11.824 -7.754 1.00 0.00 N ATOM 1080 CA ASP A 73 -2.620 -10.650 -6.992 1.00 0.00 C ATOM 1081 C ASP A 73 -1.211 -10.211 -7.381 1.00 0.00 C ATOM 1082 O ASP A 73 -0.915 -9.018 -7.437 1.00 0.00 O ATOM 1083 CB ASP A 73 -2.681 -10.942 -5.492 1.00 0.00 C ATOM 1084 CG ASP A 73 -4.100 -10.946 -4.960 1.00 0.00 C ATOM 1085 OD1 ASP A 73 -4.762 -12.002 -5.045 1.00 0.00 O ATOM 1086 OD2 ASP A 73 -4.550 -9.894 -4.460 1.00 0.00 O ATOM 0 H ASP A 73 -3.494 -12.543 -7.202 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.311 -9.840 -7.224 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.219 -11.909 -5.294 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.097 -10.194 -4.955 1.00 0.00 H new ATOM 1091 N ALA A 74 -0.346 -11.185 -7.647 1.00 0.00 N ATOM 1092 CA ALA A 74 1.031 -10.900 -8.031 1.00 0.00 C ATOM 1093 C ALA A 74 1.083 -10.053 -9.298 1.00 0.00 C ATOM 1094 O ALA A 74 0.754 -10.525 -10.385 1.00 0.00 O ATOM 1095 CB ALA A 74 1.803 -12.196 -8.227 1.00 0.00 C ATOM 0 H ALA A 74 -0.575 -12.178 -7.604 1.00 0.00 H new ATOM 0 HA ALA A 74 1.497 -10.331 -7.226 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.830 -11.968 -8.514 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.803 -12.764 -7.296 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.330 -12.786 -9.012 1.00 0.00 H new ATOM 1101 N GLY A 75 1.499 -8.799 -9.150 1.00 0.00 N ATOM 1102 CA GLY A 75 1.586 -7.906 -10.291 1.00 0.00 C ATOM 1103 C GLY A 75 2.361 -6.641 -9.980 1.00 0.00 C ATOM 1104 O GLY A 75 3.454 -6.699 -9.419 1.00 0.00 O ATOM 0 H GLY A 75 1.777 -8.385 -8.260 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.065 -8.427 -11.120 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.581 -7.641 -10.619 1.00 0.00 H new ATOM 1108 N GLU A 76 1.793 -5.496 -10.346 1.00 0.00 N ATOM 1109 CA GLU A 76 2.441 -4.212 -10.105 1.00 0.00 C ATOM 1110 C GLU A 76 1.453 -3.207 -9.519 1.00 0.00 C ATOM 1111 O GLU A 76 0.633 -2.636 -10.237 1.00 0.00 O ATOM 1112 CB GLU A 76 3.035 -3.663 -11.404 1.00 0.00 C ATOM 1113 CG GLU A 76 3.495 -2.219 -11.299 1.00 0.00 C ATOM 1114 CD GLU A 76 4.131 -1.715 -12.581 1.00 0.00 C ATOM 1115 OE1 GLU A 76 3.528 -1.909 -13.657 1.00 0.00 O ATOM 1116 OE2 GLU A 76 5.230 -1.128 -12.507 1.00 0.00 O ATOM 0 H GLU A 76 0.887 -5.431 -10.810 1.00 0.00 H new ATOM 0 HA GLU A 76 3.244 -4.368 -9.385 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.881 -4.285 -11.698 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.290 -3.742 -12.196 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.643 -1.587 -11.048 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.211 -2.128 -10.482 1.00 0.00 H new ATOM 1123 N TYR A 77 1.539 -2.997 -8.210 1.00 0.00 N ATOM 1124 CA TYR A 77 0.652 -2.063 -7.526 1.00 0.00 C ATOM 1125 C TYR A 77 1.190 -0.638 -7.612 1.00 0.00 C ATOM 1126 O TYR A 77 2.402 -0.418 -7.616 1.00 0.00 O ATOM 1127 CB TYR A 77 0.483 -2.468 -6.061 1.00 0.00 C ATOM 1128 CG TYR A 77 -0.209 -3.800 -5.877 1.00 0.00 C ATOM 1129 CD1 TYR A 77 0.435 -4.990 -6.195 1.00 0.00 C ATOM 1130 CD2 TYR A 77 -1.507 -3.869 -5.387 1.00 0.00 C ATOM 1131 CE1 TYR A 77 -0.194 -6.209 -6.030 1.00 0.00 C ATOM 1132 CE2 TYR A 77 -2.143 -5.084 -5.217 1.00 0.00 C ATOM 1133 CZ TYR A 77 -1.482 -6.251 -5.540 1.00 0.00 C ATOM 1134 OH TYR A 77 -2.113 -7.462 -5.373 1.00 0.00 O ATOM 0 H TYR A 77 2.214 -3.461 -7.601 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.319 -2.096 -8.020 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.464 -2.510 -5.589 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.087 -1.697 -5.543 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.445 -4.961 -6.578 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.028 -2.957 -5.135 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.321 -7.124 -6.284 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.152 -5.120 -4.833 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.766 -8.105 -6.026 1.00 0.00 H new ATOM 1144 N LEU A 78 0.280 0.327 -7.681 1.00 0.00 N ATOM 1145 CA LEU A 78 0.661 1.733 -7.767 1.00 0.00 C ATOM 1146 C LEU A 78 -0.090 2.564 -6.731 1.00 0.00 C ATOM 1147 O LEU A 78 -1.296 2.401 -6.546 1.00 0.00 O ATOM 1148 CB LEU A 78 0.382 2.273 -9.171 1.00 0.00 C ATOM 1149 CG LEU A 78 1.306 1.769 -10.279 1.00 0.00 C ATOM 1150 CD1 LEU A 78 0.743 0.504 -10.909 1.00 0.00 C ATOM 1151 CD2 LEU A 78 1.511 2.846 -11.334 1.00 0.00 C ATOM 0 H LEU A 78 -0.727 0.162 -7.679 1.00 0.00 H new ATOM 0 HA LEU A 78 1.729 1.808 -7.562 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.644 2.021 -9.438 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.445 3.361 -9.139 1.00 0.00 H new ATOM 0 HG LEU A 78 2.274 1.531 -9.838 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.414 0.160 -11.696 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.648 -0.271 -10.148 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.238 0.715 -11.335 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.172 2.469 -12.115 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.549 3.115 -11.771 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.959 3.726 -10.873 1.00 0.00 H new ATOM 1163 N CYS A 79 0.631 3.457 -6.062 1.00 0.00 N ATOM 1164 CA CYS A 79 0.033 4.315 -5.046 1.00 0.00 C ATOM 1165 C CYS A 79 0.077 5.778 -5.475 1.00 0.00 C ATOM 1166 O CYS A 79 1.127 6.419 -5.427 1.00 0.00 O ATOM 1167 CB CYS A 79 0.758 4.142 -3.710 1.00 0.00 C ATOM 1168 SG CYS A 79 -0.131 4.829 -2.293 1.00 0.00 S ATOM 0 H CYS A 79 1.630 3.605 -6.205 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.010 4.021 -4.926 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.930 3.080 -3.537 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.737 4.617 -3.776 1.00 0.00 H new ATOM 0 HG CYS A 79 0.586 4.683 -1.219 1.00 0.00 H new ATOM 1174 N VAL A 80 -1.071 6.300 -5.898 1.00 0.00 N ATOM 1175 CA VAL A 80 -1.163 7.687 -6.337 1.00 0.00 C ATOM 1176 C VAL A 80 -1.618 8.595 -5.199 1.00 0.00 C ATOM 1177 O VAL A 80 -2.628 8.330 -4.546 1.00 0.00 O ATOM 1178 CB VAL A 80 -2.138 7.838 -7.520 1.00 0.00 C ATOM 1179 CG1 VAL A 80 -2.050 9.236 -8.111 1.00 0.00 C ATOM 1180 CG2 VAL A 80 -1.855 6.784 -8.580 1.00 0.00 C ATOM 0 H VAL A 80 -1.949 5.783 -5.946 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.165 7.984 -6.658 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.153 7.689 -7.152 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.746 9.323 -8.945 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.305 9.971 -7.347 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.035 9.418 -8.465 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.553 6.905 -9.409 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.834 6.900 -8.945 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.975 5.791 -8.147 1.00 0.00 H new ATOM 1190 N CYS A 81 -0.868 9.666 -4.968 1.00 0.00 N ATOM 1191 CA CYS A 81 -1.193 10.614 -3.909 1.00 0.00 C ATOM 1192 C CYS A 81 -1.379 12.018 -4.474 1.00 0.00 C ATOM 1193 O CYS A 81 -0.552 12.902 -4.252 1.00 0.00 O ATOM 1194 CB CYS A 81 -0.094 10.620 -2.846 1.00 0.00 C ATOM 1195 SG CYS A 81 -0.304 11.889 -1.574 1.00 0.00 S ATOM 0 H CYS A 81 -0.030 9.900 -5.500 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.130 10.300 -3.450 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -0.062 9.642 -2.366 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.869 10.767 -3.335 1.00 0.00 H new ATOM 0 HG CYS A 81 -0.655 13.009 -2.132 1.00 0.00 H new ATOM 1201 N GLY A 82 -2.471 12.216 -5.207 1.00 0.00 N ATOM 1202 CA GLY A 82 -2.745 13.515 -5.794 1.00 0.00 C ATOM 1203 C GLY A 82 -2.023 13.719 -7.111 1.00 0.00 C ATOM 1204 O GLY A 82 -2.527 13.338 -8.167 1.00 0.00 O ATOM 0 H GLY A 82 -3.170 11.500 -5.405 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.818 13.620 -5.951 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.447 14.296 -5.095 1.00 0.00 H new ATOM 1208 N GLN A 83 -0.841 14.324 -7.049 1.00 0.00 N ATOM 1209 CA GLN A 83 -0.051 14.580 -8.248 1.00 0.00 C ATOM 1210 C GLN A 83 1.065 13.551 -8.394 1.00 0.00 C ATOM 1211 O GLN A 83 1.454 13.199 -9.507 1.00 0.00 O ATOM 1212 CB GLN A 83 0.541 15.989 -8.202 1.00 0.00 C ATOM 1213 CG GLN A 83 -0.506 17.091 -8.210 1.00 0.00 C ATOM 1214 CD GLN A 83 0.062 18.440 -7.819 1.00 0.00 C ATOM 1215 OE1 GLN A 83 1.168 18.530 -7.286 1.00 0.00 O ATOM 1216 NE2 GLN A 83 -0.693 19.500 -8.083 1.00 0.00 N ATOM 0 H GLN A 83 -0.410 14.646 -6.182 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.710 14.499 -9.112 1.00 0.00 H new ATOM 0 HB2 GLN A 83 1.153 16.088 -7.305 1.00 0.00 H new ATOM 0 HB3 GLN A 83 1.204 16.123 -9.057 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -0.946 17.161 -9.205 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -1.310 16.827 -7.523 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -1.604 19.380 -8.526 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.362 20.434 -7.843 1.00 0.00 H new ATOM 1225 N GLU A 84 1.575 13.073 -7.264 1.00 0.00 N ATOM 1226 CA GLU A 84 2.647 12.085 -7.268 1.00 0.00 C ATOM 1227 C GLU A 84 2.081 10.668 -7.249 1.00 0.00 C ATOM 1228 O GLU A 84 0.888 10.467 -7.023 1.00 0.00 O ATOM 1229 CB GLU A 84 3.568 12.294 -6.063 1.00 0.00 C ATOM 1230 CG GLU A 84 4.544 13.446 -6.236 1.00 0.00 C ATOM 1231 CD GLU A 84 5.216 13.442 -7.595 1.00 0.00 C ATOM 1232 OE1 GLU A 84 4.586 13.899 -8.571 1.00 0.00 O ATOM 1233 OE2 GLU A 84 6.374 12.981 -7.682 1.00 0.00 O ATOM 0 H GLU A 84 1.263 13.354 -6.334 1.00 0.00 H new ATOM 0 HA GLU A 84 3.223 12.216 -8.184 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.959 12.475 -5.178 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.129 11.377 -5.882 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.015 14.389 -6.099 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.306 13.392 -5.458 1.00 0.00 H new ATOM 1240 N ARG A 85 2.947 9.688 -7.489 1.00 0.00 N ATOM 1241 CA ARG A 85 2.534 8.290 -7.503 1.00 0.00 C ATOM 1242 C ARG A 85 3.741 7.368 -7.648 1.00 0.00 C ATOM 1243 O ARG A 85 4.728 7.716 -8.298 1.00 0.00 O ATOM 1244 CB ARG A 85 1.546 8.038 -8.644 1.00 0.00 C ATOM 1245 CG ARG A 85 2.105 8.371 -10.017 1.00 0.00 C ATOM 1246 CD ARG A 85 1.285 7.727 -11.124 1.00 0.00 C ATOM 1247 NE ARG A 85 0.115 8.527 -11.474 1.00 0.00 N ATOM 1248 CZ ARG A 85 -0.708 8.228 -12.473 1.00 0.00 C ATOM 1249 NH1 ARG A 85 -0.490 7.151 -13.216 1.00 0.00 N ATOM 1250 NH2 ARG A 85 -1.752 9.005 -12.730 1.00 0.00 N ATOM 0 H ARG A 85 3.939 9.837 -7.676 1.00 0.00 H new ATOM 0 HA ARG A 85 2.044 8.073 -6.554 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.245 6.991 -8.628 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.647 8.631 -8.473 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.117 9.452 -10.154 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.138 8.030 -10.083 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.910 7.593 -12.007 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.964 6.735 -10.807 1.00 0.00 H new ATOM 0 HE ARG A 85 -0.081 9.361 -10.921 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.311 6.550 -13.021 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.123 6.923 -13.982 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -1.924 9.833 -12.160 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.383 8.774 -13.497 1.00 0.00 H new ATOM 1264 N THR A 86 3.656 6.190 -7.037 1.00 0.00 N ATOM 1265 CA THR A 86 4.741 5.219 -7.096 1.00 0.00 C ATOM 1266 C THR A 86 4.220 3.834 -7.461 1.00 0.00 C ATOM 1267 O THR A 86 3.019 3.572 -7.384 1.00 0.00 O ATOM 1268 CB THR A 86 5.495 5.135 -5.755 1.00 0.00 C ATOM 1269 OG1 THR A 86 6.521 4.140 -5.831 1.00 0.00 O ATOM 1270 CG2 THR A 86 4.540 4.800 -4.619 1.00 0.00 C ATOM 0 H THR A 86 2.847 5.886 -6.496 1.00 0.00 H new ATOM 0 HA THR A 86 5.429 5.561 -7.869 1.00 0.00 H new ATOM 0 HB THR A 86 5.947 6.107 -5.555 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.996 4.094 -4.975 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.094 4.746 -3.682 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.777 5.575 -4.545 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.064 3.839 -4.815 1.00 0.00 H new ATOM 1278 N SER A 87 5.130 2.949 -7.857 1.00 0.00 N ATOM 1279 CA SER A 87 4.760 1.590 -8.236 1.00 0.00 C ATOM 1280 C SER A 87 5.640 0.569 -7.521 1.00 0.00 C ATOM 1281 O SER A 87 6.753 0.880 -7.098 1.00 0.00 O ATOM 1282 CB SER A 87 4.879 1.411 -9.751 1.00 0.00 C ATOM 1283 OG SER A 87 6.183 1.730 -10.201 1.00 0.00 O ATOM 0 H SER A 87 6.128 3.149 -7.924 1.00 0.00 H new ATOM 0 HA SER A 87 3.725 1.424 -7.938 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.640 0.382 -10.019 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.151 2.048 -10.254 1.00 0.00 H new ATOM 0 HG SER A 87 6.234 1.606 -11.172 1.00 0.00 H new ATOM 1289 N ALA A 88 5.131 -0.652 -7.390 1.00 0.00 N ATOM 1290 CA ALA A 88 5.870 -1.721 -6.729 1.00 0.00 C ATOM 1291 C ALA A 88 5.474 -3.085 -7.282 1.00 0.00 C ATOM 1292 O ALA A 88 4.449 -3.223 -7.951 1.00 0.00 O ATOM 1293 CB ALA A 88 5.638 -1.670 -5.226 1.00 0.00 C ATOM 0 H ALA A 88 4.210 -0.925 -7.733 1.00 0.00 H new ATOM 0 HA ALA A 88 6.932 -1.573 -6.927 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.195 -2.473 -4.744 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.977 -0.710 -4.838 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.575 -1.790 -5.018 1.00 0.00 H new ATOM 1299 N THR A 89 6.292 -4.094 -6.999 1.00 0.00 N ATOM 1300 CA THR A 89 6.028 -5.448 -7.470 1.00 0.00 C ATOM 1301 C THR A 89 5.776 -6.396 -6.303 1.00 0.00 C ATOM 1302 O THR A 89 6.522 -6.403 -5.323 1.00 0.00 O ATOM 1303 CB THR A 89 7.200 -5.988 -8.311 1.00 0.00 C ATOM 1304 OG1 THR A 89 7.488 -5.087 -9.386 1.00 0.00 O ATOM 1305 CG2 THR A 89 6.874 -7.365 -8.871 1.00 0.00 C ATOM 0 H THR A 89 7.143 -3.999 -6.446 1.00 0.00 H new ATOM 0 HA THR A 89 5.135 -5.398 -8.094 1.00 0.00 H new ATOM 0 HB THR A 89 8.074 -6.073 -7.665 1.00 0.00 H new ATOM 0 HG1 THR A 89 8.235 -5.437 -9.915 1.00 0.00 H new ATOM 0 HG21 THR A 89 7.716 -7.726 -9.461 1.00 0.00 H new ATOM 0 HG22 THR A 89 6.684 -8.056 -8.050 1.00 0.00 H new ATOM 0 HG23 THR A 89 5.989 -7.300 -9.503 1.00 0.00 H new ATOM 1313 N LEU A 90 4.721 -7.196 -6.415 1.00 0.00 N ATOM 1314 CA LEU A 90 4.371 -8.150 -5.368 1.00 0.00 C ATOM 1315 C LEU A 90 4.473 -9.583 -5.881 1.00 0.00 C ATOM 1316 O LEU A 90 4.012 -9.896 -6.980 1.00 0.00 O ATOM 1317 CB LEU A 90 2.955 -7.879 -4.858 1.00 0.00 C ATOM 1318 CG LEU A 90 2.413 -8.868 -3.824 1.00 0.00 C ATOM 1319 CD1 LEU A 90 3.130 -8.696 -2.494 1.00 0.00 C ATOM 1320 CD2 LEU A 90 0.912 -8.690 -3.651 1.00 0.00 C ATOM 0 H LEU A 90 4.094 -7.203 -7.219 1.00 0.00 H new ATOM 0 HA LEU A 90 5.077 -8.027 -4.547 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.932 -6.880 -4.423 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.278 -7.870 -5.712 1.00 0.00 H new ATOM 0 HG LEU A 90 2.599 -9.880 -4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.731 -9.408 -1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.197 -8.876 -2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.977 -7.681 -2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.544 -9.402 -2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.703 -7.675 -3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.413 -8.866 -4.604 1.00 0.00 H new ATOM 1332 N THR A 91 5.079 -10.452 -5.078 1.00 0.00 N ATOM 1333 CA THR A 91 5.241 -11.852 -5.450 1.00 0.00 C ATOM 1334 C THR A 91 4.377 -12.756 -4.579 1.00 0.00 C ATOM 1335 O THR A 91 4.344 -12.609 -3.357 1.00 0.00 O ATOM 1336 CB THR A 91 6.711 -12.298 -5.333 1.00 0.00 C ATOM 1337 OG1 THR A 91 7.475 -11.758 -6.417 1.00 0.00 O ATOM 1338 CG2 THR A 91 6.818 -13.815 -5.336 1.00 0.00 C ATOM 0 H THR A 91 5.466 -10.211 -4.166 1.00 0.00 H new ATOM 0 HA THR A 91 4.923 -11.942 -6.489 1.00 0.00 H new ATOM 0 HB THR A 91 7.107 -11.924 -4.389 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.408 -12.045 -6.334 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.865 -14.106 -5.252 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.260 -14.221 -4.492 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.406 -14.207 -6.266 1.00 0.00 H new ATOM 1346 N ILE A 92 3.679 -13.691 -5.215 1.00 0.00 N ATOM 1347 CA ILE A 92 2.815 -14.619 -4.496 1.00 0.00 C ATOM 1348 C ILE A 92 3.429 -16.015 -4.447 1.00 0.00 C ATOM 1349 O ILE A 92 3.966 -16.503 -5.441 1.00 0.00 O ATOM 1350 CB ILE A 92 1.420 -14.707 -5.143 1.00 0.00 C ATOM 1351 CG1 ILE A 92 0.784 -13.318 -5.225 1.00 0.00 C ATOM 1352 CG2 ILE A 92 0.530 -15.658 -4.357 1.00 0.00 C ATOM 1353 CD1 ILE A 92 0.360 -12.768 -3.881 1.00 0.00 C ATOM 0 H ILE A 92 3.695 -13.826 -6.226 1.00 0.00 H new ATOM 0 HA ILE A 92 2.712 -14.233 -3.482 1.00 0.00 H new ATOM 0 HB ILE A 92 1.529 -15.097 -6.155 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.493 -12.629 -5.683 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.085 -13.363 -5.881 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.452 -15.709 -4.827 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.979 -16.651 -4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.424 -15.296 -3.334 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.082 -11.781 -4.015 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.373 -13.436 -3.429 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.230 -12.690 -3.229 1.00 0.00 H new ATOM 1365 N ARG A 93 3.343 -16.652 -3.284 1.00 0.00 N ATOM 1366 CA ARG A 93 3.889 -17.992 -3.105 1.00 0.00 C ATOM 1367 C ARG A 93 2.773 -19.030 -3.041 1.00 0.00 C ATOM 1368 O ARG A 93 1.970 -19.037 -2.108 1.00 0.00 O ATOM 1369 CB ARG A 93 4.733 -18.056 -1.831 1.00 0.00 C ATOM 1370 CG ARG A 93 6.173 -17.610 -2.031 1.00 0.00 C ATOM 1371 CD ARG A 93 6.971 -18.639 -2.816 1.00 0.00 C ATOM 1372 NE ARG A 93 8.352 -18.215 -3.028 1.00 0.00 N ATOM 1373 CZ ARG A 93 9.114 -18.662 -4.020 1.00 0.00 C ATOM 1374 NH1 ARG A 93 8.631 -19.541 -4.887 1.00 0.00 N ATOM 1375 NH2 ARG A 93 10.362 -18.228 -4.147 1.00 0.00 N ATOM 0 H ARG A 93 2.901 -16.262 -2.452 1.00 0.00 H new ATOM 0 HA ARG A 93 4.522 -18.217 -3.964 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.271 -17.431 -1.067 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.727 -19.078 -1.453 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.190 -16.656 -2.558 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.643 -17.447 -1.061 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.961 -19.589 -2.282 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.492 -18.810 -3.780 1.00 0.00 H new ATOM 0 HE ARG A 93 8.754 -17.539 -2.379 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.672 -19.876 -4.793 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.218 -19.883 -5.648 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.737 -17.551 -3.483 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.946 -18.572 -4.909 1.00 0.00 H new ATOM 1389 N ALA A 94 2.728 -19.906 -4.040 1.00 0.00 N ATOM 1390 CA ALA A 94 1.711 -20.949 -4.096 1.00 0.00 C ATOM 1391 C ALA A 94 1.769 -21.838 -2.859 1.00 0.00 C ATOM 1392 O ALA A 94 2.791 -22.465 -2.578 1.00 0.00 O ATOM 1393 CB ALA A 94 1.881 -21.784 -5.357 1.00 0.00 C ATOM 0 H ALA A 94 3.384 -19.914 -4.821 1.00 0.00 H new ATOM 0 HA ALA A 94 0.733 -20.468 -4.121 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.115 -22.559 -5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.783 -21.144 -6.233 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.867 -22.248 -5.356 1.00 0.00 H new ATOM 1399 N LEU A 95 0.665 -21.889 -2.121 1.00 0.00 N ATOM 1400 CA LEU A 95 0.590 -22.702 -0.912 1.00 0.00 C ATOM 1401 C LEU A 95 1.051 -24.130 -1.186 1.00 0.00 C ATOM 1402 O LEU A 95 0.954 -24.636 -2.305 1.00 0.00 O ATOM 1403 CB LEU A 95 -0.840 -22.712 -0.368 1.00 0.00 C ATOM 1404 CG LEU A 95 -1.243 -21.506 0.481 1.00 0.00 C ATOM 1405 CD1 LEU A 95 -2.755 -21.345 0.497 1.00 0.00 C ATOM 1406 CD2 LEU A 95 -0.705 -21.648 1.898 1.00 0.00 C ATOM 0 H LEU A 95 -0.190 -21.377 -2.339 1.00 0.00 H new ATOM 0 HA LEU A 95 1.253 -22.262 -0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.528 -22.784 -1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.974 -23.613 0.230 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.808 -20.611 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.023 -20.482 1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.116 -21.197 -0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.212 -22.241 0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.001 -20.781 2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.111 -22.552 2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.383 -21.713 1.869 1.00 0.00 H new ATOM 1418 N PRO A 96 1.563 -24.798 -0.142 1.00 0.00 N ATOM 1419 CA PRO A 96 2.047 -26.178 -0.245 1.00 0.00 C ATOM 1420 C PRO A 96 0.912 -27.176 -0.452 1.00 0.00 C ATOM 1421 O PRO A 96 1.009 -28.075 -1.287 1.00 0.00 O ATOM 1422 CB PRO A 96 2.729 -26.416 1.105 1.00 0.00 C ATOM 1423 CG PRO A 96 2.061 -25.468 2.040 1.00 0.00 C ATOM 1424 CD PRO A 96 1.709 -24.257 1.220 1.00 0.00 C ATOM 0 HA PRO A 96 2.707 -26.316 -1.102 1.00 0.00 H new ATOM 0 HB2 PRO A 96 2.607 -27.448 1.434 1.00 0.00 H new ATOM 0 HB3 PRO A 96 3.801 -26.225 1.046 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.169 -25.915 2.478 1.00 0.00 H new ATOM 0 HG3 PRO A 96 2.722 -25.202 2.865 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.788 -23.790 1.568 1.00 0.00 H new ATOM 0 HD3 PRO A 96 2.489 -23.498 1.269 1.00 0.00 H new ATOM 1432 N SER A 97 -0.162 -27.011 0.314 1.00 0.00 N ATOM 1433 CA SER A 97 -1.313 -27.900 0.217 1.00 0.00 C ATOM 1434 C SER A 97 -1.634 -28.216 -1.241 1.00 0.00 C ATOM 1435 O SER A 97 -1.705 -27.320 -2.081 1.00 0.00 O ATOM 1436 CB SER A 97 -2.531 -27.268 0.893 1.00 0.00 C ATOM 1437 OG SER A 97 -3.714 -27.986 0.589 1.00 0.00 O ATOM 0 H SER A 97 -0.259 -26.270 1.008 1.00 0.00 H new ATOM 0 HA SER A 97 -1.065 -28.831 0.727 1.00 0.00 H new ATOM 0 HB2 SER A 97 -2.382 -27.248 1.973 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.636 -26.233 0.566 1.00 0.00 H new ATOM 0 HG SER A 97 -4.477 -27.563 1.035 1.00 0.00 H new ATOM 1443 N GLY A 98 -1.828 -29.498 -1.534 1.00 0.00 N ATOM 1444 CA GLY A 98 -2.139 -29.911 -2.890 1.00 0.00 C ATOM 1445 C GLY A 98 -2.800 -31.274 -2.944 1.00 0.00 C ATOM 1446 O GLY A 98 -3.246 -31.812 -1.930 1.00 0.00 O ATOM 0 H GLY A 98 -1.775 -30.258 -0.856 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.797 -29.173 -3.349 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.222 -29.932 -3.479 1.00 0.00 H new ATOM 1450 N PRO A 99 -2.872 -31.853 -4.152 1.00 0.00 N ATOM 1451 CA PRO A 99 -3.484 -33.169 -4.363 1.00 0.00 C ATOM 1452 C PRO A 99 -2.653 -34.297 -3.762 1.00 0.00 C ATOM 1453 O PRO A 99 -3.181 -35.354 -3.417 1.00 0.00 O ATOM 1454 CB PRO A 99 -3.534 -33.295 -5.888 1.00 0.00 C ATOM 1455 CG PRO A 99 -2.440 -32.412 -6.378 1.00 0.00 C ATOM 1456 CD PRO A 99 -2.362 -31.269 -5.403 1.00 0.00 C ATOM 0 HA PRO A 99 -4.459 -33.248 -3.883 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.382 -34.327 -6.205 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -4.502 -32.981 -6.280 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -1.494 -32.951 -6.423 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -2.650 -32.052 -7.385 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -1.340 -30.906 -5.290 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -2.967 -30.422 -5.727 1.00 0.00 H new ATOM 1464 N SER A 100 -1.349 -34.067 -3.641 1.00 0.00 N ATOM 1465 CA SER A 100 -0.445 -35.066 -3.084 1.00 0.00 C ATOM 1466 C SER A 100 -0.767 -35.334 -1.617 1.00 0.00 C ATOM 1467 O SER A 100 -1.350 -34.492 -0.934 1.00 0.00 O ATOM 1468 CB SER A 100 1.007 -34.604 -3.223 1.00 0.00 C ATOM 1469 OG SER A 100 1.290 -33.538 -2.334 1.00 0.00 O ATOM 0 H SER A 100 -0.895 -33.197 -3.921 1.00 0.00 H new ATOM 0 HA SER A 100 -0.580 -35.993 -3.642 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.678 -35.438 -3.021 1.00 0.00 H new ATOM 0 HB3 SER A 100 1.194 -34.286 -4.249 1.00 0.00 H new ATOM 0 HG SER A 100 2.224 -33.262 -2.441 1.00 0.00 H new ATOM 1475 N SER A 101 -0.383 -36.514 -1.140 1.00 0.00 N ATOM 1476 CA SER A 101 -0.634 -36.896 0.245 1.00 0.00 C ATOM 1477 C SER A 101 0.337 -36.191 1.188 1.00 0.00 C ATOM 1478 O SER A 101 1.553 -36.302 1.041 1.00 0.00 O ATOM 1479 CB SER A 101 -0.511 -38.412 0.408 1.00 0.00 C ATOM 1480 OG SER A 101 -1.239 -38.864 1.536 1.00 0.00 O ATOM 0 H SER A 101 0.103 -37.221 -1.692 1.00 0.00 H new ATOM 0 HA SER A 101 -1.648 -36.591 0.502 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.880 -38.909 -0.490 1.00 0.00 H new ATOM 0 HB3 SER A 101 0.539 -38.685 0.515 1.00 0.00 H new ATOM 0 HG SER A 101 -1.146 -39.836 1.617 1.00 0.00 H new ATOM 1486 N GLY A 102 -0.212 -35.464 2.157 1.00 0.00 N ATOM 1487 CA GLY A 102 0.619 -34.751 3.109 1.00 0.00 C ATOM 1488 C GLY A 102 1.517 -33.728 2.443 1.00 0.00 C ATOM 1489 O GLY A 102 2.581 -33.393 2.965 1.00 0.00 O ATOM 0 H GLY A 102 -1.216 -35.356 2.299 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.018 -34.251 3.839 1.00 0.00 H new ATOM 0 HA3 GLY A 102 1.232 -35.466 3.658 1.00 0.00 H new TER 1493 GLY A 102