USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 617 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 65 HIS : no HD1:sc= 1.89 K(o=3.2,f=-9.1!) USER MOD Set 1.2: A 67 SER OG : rot -61:sc= 1.33 USER MOD Set 2.1: A 31 CYS SG : rot -179:sc= 0.951 USER MOD Set 2.2: A 40 HIS : no HE2:sc= 0.559 K(o=3.9,f=-2.7!) USER MOD Set 2.3: A 56 CYS SG : rot 170:sc= 1.03 USER MOD Set 2.4: A 63 TYR OH : rot 174:sc= 1.36 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 139:sc= -0.0199 (180deg=-0.425) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 164:sc= -0.0774 (180deg=-0.395) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 106:sc= 1.29 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.0544 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 127:sc= -0.0776 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= -1.05 USER MOD Single : A 72 LYS NZ :NH3+ -169:sc= -0.0347 (180deg=-0.199) USER MOD Single : A 75 HIS : no HD1:sc=-0.00271 X(o=-0.0027,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.16) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.0078) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.00055) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.032 19.191 -46.608 1.00 0.00 N ATOM 2 CA MET A 1 1.763 19.205 -45.323 1.00 0.00 C ATOM 3 C MET A 1 2.271 17.810 -44.987 1.00 0.00 C ATOM 4 O MET A 1 1.694 16.809 -45.418 1.00 0.00 O ATOM 5 CB MET A 1 0.865 19.750 -44.201 1.00 0.00 C ATOM 6 CG MET A 1 -0.420 18.962 -43.974 1.00 0.00 C ATOM 7 SD MET A 1 -0.173 17.469 -42.996 1.00 0.00 S ATOM 8 CE MET A 1 -1.828 16.785 -43.007 1.00 0.00 C ATOM 0 H1 MET A 1 0.185 19.790 -46.532 1.00 0.00 H new ATOM 0 H2 MET A 1 1.648 19.557 -47.362 1.00 0.00 H new ATOM 0 H3 MET A 1 0.748 18.217 -46.835 1.00 0.00 H new ATOM 0 HA MET A 1 2.625 19.866 -45.417 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.435 19.764 -43.272 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.606 20.783 -44.431 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.147 19.601 -43.473 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.847 18.690 -44.939 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.841 15.854 -42.440 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.518 17.496 -42.553 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.134 16.588 -44.035 1.00 0.00 H new ATOM 20 N ARG A 2 3.364 17.747 -44.243 1.00 0.00 N ATOM 21 CA ARG A 2 3.930 16.474 -43.832 1.00 0.00 C ATOM 22 C ARG A 2 4.737 16.616 -42.549 1.00 0.00 C ATOM 23 O ARG A 2 5.830 17.181 -42.544 1.00 0.00 O ATOM 24 CB ARG A 2 4.807 15.883 -44.942 1.00 0.00 C ATOM 25 CG ARG A 2 5.666 14.705 -44.491 1.00 0.00 C ATOM 26 CD ARG A 2 6.372 14.047 -45.663 1.00 0.00 C ATOM 27 NE ARG A 2 5.589 12.947 -46.228 1.00 0.00 N ATOM 28 CZ ARG A 2 4.808 13.052 -47.300 1.00 0.00 C ATOM 29 NH1 ARG A 2 4.669 14.217 -47.921 1.00 0.00 N ATOM 30 NH2 ARG A 2 4.162 11.987 -47.757 1.00 0.00 N ATOM 0 H ARG A 2 3.877 18.564 -43.912 1.00 0.00 H new ATOM 0 HA ARG A 2 3.100 15.794 -43.641 1.00 0.00 H new ATOM 0 HB2 ARG A 2 4.167 15.560 -45.763 1.00 0.00 H new ATOM 0 HB3 ARG A 2 5.457 16.665 -45.333 1.00 0.00 H new ATOM 0 HG2 ARG A 2 6.405 15.049 -43.767 1.00 0.00 H new ATOM 0 HG3 ARG A 2 5.040 13.971 -43.984 1.00 0.00 H new ATOM 0 HD2 ARG A 2 6.562 14.791 -46.436 1.00 0.00 H new ATOM 0 HD3 ARG A 2 7.342 13.671 -45.337 1.00 0.00 H new ATOM 0 HE ARG A 2 5.646 12.038 -45.769 1.00 0.00 H new ATOM 0 HH11 ARG A 2 5.163 15.040 -47.577 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.068 14.289 -48.742 1.00 0.00 H new ATOM 0 HH21 ARG A 2 4.264 11.088 -47.286 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.563 12.067 -48.579 1.00 0.00 H new ATOM 44 N ARG A 3 4.174 16.119 -41.465 1.00 0.00 N ATOM 45 CA ARG A 3 4.891 15.997 -40.209 1.00 0.00 C ATOM 46 C ARG A 3 4.994 14.521 -39.869 1.00 0.00 C ATOM 47 O ARG A 3 4.096 13.756 -40.217 1.00 0.00 O ATOM 48 CB ARG A 3 4.166 16.750 -39.087 1.00 0.00 C ATOM 49 CG ARG A 3 4.842 16.612 -37.729 1.00 0.00 C ATOM 50 CD ARG A 3 4.014 17.220 -36.611 1.00 0.00 C ATOM 51 NE ARG A 3 4.059 18.680 -36.604 1.00 0.00 N ATOM 52 CZ ARG A 3 4.373 19.398 -35.529 1.00 0.00 C ATOM 53 NH1 ARG A 3 4.738 18.788 -34.406 1.00 0.00 N ATOM 54 NH2 ARG A 3 4.331 20.719 -35.578 1.00 0.00 N ATOM 0 H ARG A 3 3.210 15.789 -41.429 1.00 0.00 H new ATOM 0 HA ARG A 3 5.884 16.436 -40.309 1.00 0.00 H new ATOM 0 HB2 ARG A 3 4.106 17.806 -39.349 1.00 0.00 H new ATOM 0 HB3 ARG A 3 3.143 16.381 -39.014 1.00 0.00 H new ATOM 0 HG2 ARG A 3 5.016 15.557 -37.517 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.818 17.096 -37.760 1.00 0.00 H new ATOM 0 HD2 ARG A 3 2.979 16.893 -36.712 1.00 0.00 H new ATOM 0 HD3 ARG A 3 4.374 16.845 -35.653 1.00 0.00 H new ATOM 0 HE ARG A 3 3.838 19.175 -37.468 1.00 0.00 H new ATOM 0 HH11 ARG A 3 4.777 17.769 -34.368 1.00 0.00 H new ATOM 0 HH12 ARG A 3 4.979 19.338 -33.582 1.00 0.00 H new ATOM 0 HH21 ARG A 3 4.057 21.189 -36.441 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.572 21.268 -34.753 1.00 0.00 H new ATOM 68 N GLN A 4 6.085 14.119 -39.223 1.00 0.00 N ATOM 69 CA GLN A 4 6.289 12.716 -38.867 1.00 0.00 C ATOM 70 C GLN A 4 5.174 12.223 -37.952 1.00 0.00 C ATOM 71 O GLN A 4 5.050 12.670 -36.808 1.00 0.00 O ATOM 72 CB GLN A 4 7.645 12.523 -38.188 1.00 0.00 C ATOM 73 CG GLN A 4 8.823 12.908 -39.067 1.00 0.00 C ATOM 74 CD GLN A 4 10.156 12.733 -38.372 1.00 0.00 C ATOM 75 OE1 GLN A 4 10.780 11.675 -38.455 1.00 0.00 O ATOM 76 NE2 GLN A 4 10.595 13.767 -37.678 1.00 0.00 N ATOM 0 H GLN A 4 6.840 14.742 -38.936 1.00 0.00 H new ATOM 0 HA GLN A 4 6.271 12.131 -39.786 1.00 0.00 H new ATOM 0 HB2 GLN A 4 7.673 13.118 -37.275 1.00 0.00 H new ATOM 0 HB3 GLN A 4 7.749 11.479 -37.892 1.00 0.00 H new ATOM 0 HG2 GLN A 4 8.808 12.301 -39.972 1.00 0.00 H new ATOM 0 HG3 GLN A 4 8.714 13.947 -39.378 1.00 0.00 H new ATOM 0 HE21 GLN A 4 10.044 14.625 -37.637 1.00 0.00 H new ATOM 0 HE22 GLN A 4 11.485 13.708 -37.183 1.00 0.00 H new ATOM 85 N PRO A 5 4.341 11.302 -38.447 1.00 0.00 N ATOM 86 CA PRO A 5 3.197 10.790 -37.715 1.00 0.00 C ATOM 87 C PRO A 5 3.572 9.631 -36.800 1.00 0.00 C ATOM 88 O PRO A 5 4.549 8.925 -37.039 1.00 0.00 O ATOM 89 CB PRO A 5 2.243 10.313 -38.820 1.00 0.00 C ATOM 90 CG PRO A 5 3.007 10.399 -40.112 1.00 0.00 C ATOM 91 CD PRO A 5 4.444 10.672 -39.763 1.00 0.00 C ATOM 0 HA PRO A 5 2.763 11.545 -37.060 1.00 0.00 H new ATOM 0 HB2 PRO A 5 1.912 9.291 -38.632 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.349 10.936 -38.856 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.918 9.469 -40.674 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.607 11.193 -40.743 1.00 0.00 H new ATOM 0 HD2 PRO A 5 5.033 9.756 -39.728 1.00 0.00 H new ATOM 0 HD3 PRO A 5 4.920 11.330 -40.491 1.00 0.00 H new ATOM 99 N LYS A 6 2.783 9.435 -35.754 1.00 0.00 N ATOM 100 CA LYS A 6 3.010 8.337 -34.826 1.00 0.00 C ATOM 101 C LYS A 6 2.136 7.149 -35.203 1.00 0.00 C ATOM 102 O LYS A 6 2.134 6.122 -34.526 1.00 0.00 O ATOM 103 CB LYS A 6 2.732 8.779 -33.384 1.00 0.00 C ATOM 104 CG LYS A 6 3.943 9.390 -32.678 1.00 0.00 C ATOM 105 CD LYS A 6 4.539 10.553 -33.459 1.00 0.00 C ATOM 106 CE LYS A 6 5.779 11.114 -32.779 1.00 0.00 C ATOM 107 NZ LYS A 6 6.814 10.069 -32.546 1.00 0.00 N ATOM 0 H LYS A 6 1.980 10.022 -35.527 1.00 0.00 H new ATOM 0 HA LYS A 6 4.056 8.036 -34.889 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.921 9.507 -33.388 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.386 7.919 -32.811 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.648 9.734 -31.687 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.704 8.622 -32.536 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.795 10.222 -34.465 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.793 11.341 -33.563 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.200 11.909 -33.394 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.497 11.563 -31.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.726 10.524 -32.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.532 9.475 -31.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.908 9.477 -33.396 1.00 0.00 H new ATOM 121 N THR A 7 1.398 7.313 -36.299 1.00 0.00 N ATOM 122 CA THR A 7 0.534 6.267 -36.831 1.00 0.00 C ATOM 123 C THR A 7 -0.550 5.894 -35.814 1.00 0.00 C ATOM 124 O THR A 7 -1.034 4.762 -35.774 1.00 0.00 O ATOM 125 CB THR A 7 1.360 5.020 -37.226 1.00 0.00 C ATOM 126 OG1 THR A 7 2.564 5.435 -37.888 1.00 0.00 O ATOM 127 CG2 THR A 7 0.575 4.109 -38.162 1.00 0.00 C ATOM 0 H THR A 7 1.384 8.176 -36.842 1.00 0.00 H new ATOM 0 HA THR A 7 0.048 6.652 -37.728 1.00 0.00 H new ATOM 0 HB THR A 7 1.593 4.468 -36.316 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.089 4.646 -38.137 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.183 3.242 -38.421 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.337 3.777 -37.666 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.317 4.655 -39.069 1.00 0.00 H new ATOM 135 N ARG A 8 -0.949 6.867 -35.009 1.00 0.00 N ATOM 136 CA ARG A 8 -1.977 6.636 -34.004 1.00 0.00 C ATOM 137 C ARG A 8 -3.121 7.627 -34.157 1.00 0.00 C ATOM 138 O ARG A 8 -3.138 8.685 -33.529 1.00 0.00 O ATOM 139 CB ARG A 8 -1.403 6.718 -32.585 1.00 0.00 C ATOM 140 CG ARG A 8 -0.324 5.688 -32.293 1.00 0.00 C ATOM 141 CD ARG A 8 0.039 5.672 -30.818 1.00 0.00 C ATOM 142 NE ARG A 8 -1.061 5.177 -29.991 1.00 0.00 N ATOM 143 CZ ARG A 8 -1.638 5.876 -29.016 1.00 0.00 C ATOM 144 NH1 ARG A 8 -1.252 7.120 -28.761 1.00 0.00 N ATOM 145 NH2 ARG A 8 -2.613 5.331 -28.302 1.00 0.00 N ATOM 0 H ARG A 8 -0.580 7.818 -35.031 1.00 0.00 H new ATOM 0 HA ARG A 8 -2.360 5.628 -34.161 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -0.991 7.715 -32.428 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.214 6.592 -31.868 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -0.670 4.700 -32.595 1.00 0.00 H new ATOM 0 HG3 ARG A 8 0.563 5.910 -32.886 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.917 5.045 -30.667 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.308 6.679 -30.499 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.408 4.235 -30.173 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -0.509 7.547 -29.314 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.699 7.649 -28.012 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -2.919 4.378 -28.500 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.057 5.864 -27.554 1.00 0.00 H new ATOM 159 N GLN A 9 -4.056 7.297 -35.032 1.00 0.00 N ATOM 160 CA GLN A 9 -5.285 8.064 -35.152 1.00 0.00 C ATOM 161 C GLN A 9 -6.404 7.290 -34.470 1.00 0.00 C ATOM 162 O GLN A 9 -7.568 7.698 -34.456 1.00 0.00 O ATOM 163 CB GLN A 9 -5.615 8.334 -36.623 1.00 0.00 C ATOM 164 CG GLN A 9 -6.637 9.440 -36.822 1.00 0.00 C ATOM 165 CD GLN A 9 -6.911 9.725 -38.284 1.00 0.00 C ATOM 166 OE1 GLN A 9 -6.229 10.538 -38.906 1.00 0.00 O ATOM 167 NE2 GLN A 9 -7.920 9.076 -38.839 1.00 0.00 N ATOM 0 H GLN A 9 -3.988 6.504 -35.669 1.00 0.00 H new ATOM 0 HA GLN A 9 -5.166 9.033 -34.668 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -4.698 8.598 -37.150 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.991 7.417 -37.077 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -7.569 9.161 -36.329 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -6.281 10.350 -36.339 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.462 8.409 -38.289 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.157 9.242 -39.817 1.00 0.00 H new ATOM 176 N GLU A 10 -6.013 6.162 -33.896 1.00 0.00 N ATOM 177 CA GLU A 10 -6.912 5.303 -33.145 1.00 0.00 C ATOM 178 C GLU A 10 -7.147 5.906 -31.763 1.00 0.00 C ATOM 179 O GLU A 10 -6.220 6.451 -31.160 1.00 0.00 O ATOM 180 CB GLU A 10 -6.290 3.907 -33.001 1.00 0.00 C ATOM 181 CG GLU A 10 -7.235 2.857 -32.441 1.00 0.00 C ATOM 182 CD GLU A 10 -8.292 2.438 -33.436 1.00 0.00 C ATOM 183 OE1 GLU A 10 -9.302 3.155 -33.571 1.00 0.00 O ATOM 184 OE2 GLU A 10 -8.114 1.390 -34.093 1.00 0.00 O ATOM 0 H GLU A 10 -5.055 5.816 -33.940 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.862 5.219 -33.672 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.936 3.577 -33.978 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.417 3.976 -32.352 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.661 1.982 -32.136 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.718 3.249 -31.546 1.00 0.00 H new ATOM 191 N SER A 11 -8.375 5.819 -31.271 1.00 0.00 N ATOM 192 CA SER A 11 -8.711 6.356 -29.964 1.00 0.00 C ATOM 193 C SER A 11 -8.165 5.446 -28.862 1.00 0.00 C ATOM 194 O SER A 11 -8.854 4.534 -28.398 1.00 0.00 O ATOM 195 CB SER A 11 -10.232 6.518 -29.832 1.00 0.00 C ATOM 196 OG SER A 11 -10.582 7.221 -28.651 1.00 0.00 O ATOM 0 H SER A 11 -9.155 5.380 -31.760 1.00 0.00 H new ATOM 0 HA SER A 11 -8.251 7.338 -29.857 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.618 7.051 -30.701 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.704 5.535 -29.824 1.00 0.00 H new ATOM 0 HG SER A 11 -11.557 7.308 -28.599 1.00 0.00 H new ATOM 202 N ALA A 12 -6.899 5.674 -28.499 1.00 0.00 N ATOM 203 CA ALA A 12 -6.235 4.938 -27.421 1.00 0.00 C ATOM 204 C ALA A 12 -6.228 3.431 -27.690 1.00 0.00 C ATOM 205 O ALA A 12 -6.321 2.994 -28.836 1.00 0.00 O ATOM 206 CB ALA A 12 -6.905 5.237 -26.087 1.00 0.00 C ATOM 0 H ALA A 12 -6.306 6.374 -28.945 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.198 5.271 -27.379 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.401 4.683 -25.295 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.842 6.305 -25.880 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.952 4.937 -26.130 1.00 0.00 H new ATOM 212 N ARG A 13 -6.086 2.643 -26.632 1.00 0.00 N ATOM 213 CA ARG A 13 -6.180 1.194 -26.739 1.00 0.00 C ATOM 214 C ARG A 13 -7.555 0.726 -26.280 1.00 0.00 C ATOM 215 O ARG A 13 -8.326 1.506 -25.719 1.00 0.00 O ATOM 216 CB ARG A 13 -5.083 0.514 -25.913 1.00 0.00 C ATOM 217 CG ARG A 13 -3.688 0.679 -26.499 1.00 0.00 C ATOM 218 CD ARG A 13 -2.634 -0.022 -25.654 1.00 0.00 C ATOM 219 NE ARG A 13 -2.388 0.667 -24.386 1.00 0.00 N ATOM 220 CZ ARG A 13 -1.387 0.364 -23.555 1.00 0.00 C ATOM 221 NH1 ARG A 13 -0.601 -0.677 -23.805 1.00 0.00 N ATOM 222 NH2 ARG A 13 -1.177 1.094 -22.462 1.00 0.00 N ATOM 0 H ARG A 13 -5.905 2.985 -25.688 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.040 0.915 -27.783 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.094 0.923 -24.903 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.309 -0.549 -25.829 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.669 0.276 -27.512 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.448 1.740 -26.573 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.954 -1.044 -25.453 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.703 -0.084 -26.217 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.019 1.424 -24.121 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.760 -1.249 -24.634 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.162 -0.905 -23.168 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.782 1.889 -22.256 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.411 0.858 -21.831 1.00 0.00 H new ATOM 236 N MET A 14 -7.865 -0.539 -26.529 1.00 0.00 N ATOM 237 CA MET A 14 -9.148 -1.098 -26.117 1.00 0.00 C ATOM 238 C MET A 14 -9.148 -1.374 -24.618 1.00 0.00 C ATOM 239 O MET A 14 -8.162 -1.873 -24.069 1.00 0.00 O ATOM 240 CB MET A 14 -9.459 -2.381 -26.897 1.00 0.00 C ATOM 241 CG MET A 14 -8.450 -3.501 -26.684 1.00 0.00 C ATOM 242 SD MET A 14 -8.860 -4.995 -27.606 1.00 0.00 S ATOM 243 CE MET A 14 -7.487 -6.055 -27.166 1.00 0.00 C ATOM 0 H MET A 14 -7.251 -1.195 -27.011 1.00 0.00 H new ATOM 0 HA MET A 14 -9.926 -0.368 -26.338 1.00 0.00 H new ATOM 0 HB2 MET A 14 -10.448 -2.738 -26.608 1.00 0.00 H new ATOM 0 HB3 MET A 14 -9.504 -2.145 -27.960 1.00 0.00 H new ATOM 0 HG2 MET A 14 -7.461 -3.155 -26.984 1.00 0.00 H new ATOM 0 HG3 MET A 14 -8.396 -3.738 -25.622 1.00 0.00 H new ATOM 0 HE1 MET A 14 -7.599 -7.020 -27.661 1.00 0.00 H new ATOM 0 HE2 MET A 14 -6.553 -5.591 -27.483 1.00 0.00 H new ATOM 0 HE3 MET A 14 -7.472 -6.201 -26.086 1.00 0.00 H new ATOM 253 N SER A 15 -10.247 -1.043 -23.961 1.00 0.00 N ATOM 254 CA SER A 15 -10.355 -1.211 -22.524 1.00 0.00 C ATOM 255 C SER A 15 -11.211 -2.425 -22.185 1.00 0.00 C ATOM 256 O SER A 15 -12.441 -2.378 -22.272 1.00 0.00 O ATOM 257 CB SER A 15 -10.953 0.047 -21.890 1.00 0.00 C ATOM 258 OG SER A 15 -10.173 1.190 -22.197 1.00 0.00 O ATOM 0 H SER A 15 -11.080 -0.655 -24.404 1.00 0.00 H new ATOM 0 HA SER A 15 -9.355 -1.372 -22.121 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.972 0.190 -22.249 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.011 -0.079 -20.809 1.00 0.00 H new ATOM 0 HG SER A 15 -10.576 1.982 -21.783 1.00 0.00 H new ATOM 264 N ILE A 16 -10.552 -3.520 -21.839 1.00 0.00 N ATOM 265 CA ILE A 16 -11.244 -4.716 -21.394 1.00 0.00 C ATOM 266 C ILE A 16 -11.259 -4.738 -19.872 1.00 0.00 C ATOM 267 O ILE A 16 -10.417 -4.097 -19.237 1.00 0.00 O ATOM 268 CB ILE A 16 -10.591 -6.029 -21.899 1.00 0.00 C ATOM 269 CG1 ILE A 16 -9.833 -5.831 -23.219 1.00 0.00 C ATOM 270 CG2 ILE A 16 -11.651 -7.103 -22.076 1.00 0.00 C ATOM 271 CD1 ILE A 16 -8.417 -5.321 -23.043 1.00 0.00 C ATOM 0 H ILE A 16 -9.536 -3.603 -21.859 1.00 0.00 H new ATOM 0 HA ILE A 16 -12.250 -4.674 -21.811 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.867 -6.340 -21.145 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.803 -6.779 -23.755 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -10.387 -5.129 -23.843 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.183 -8.021 -22.431 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -12.141 -7.291 -21.121 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -12.390 -6.768 -22.803 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -7.947 -5.207 -24.020 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.438 -4.357 -22.536 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.846 -6.032 -22.447 1.00 0.00 H new ATOM 283 N GLU A 17 -12.202 -5.479 -19.298 1.00 0.00 N ATOM 284 CA GLU A 17 -12.362 -5.540 -17.849 1.00 0.00 C ATOM 285 C GLU A 17 -12.596 -4.152 -17.252 1.00 0.00 C ATOM 286 O GLU A 17 -12.955 -3.206 -17.960 1.00 0.00 O ATOM 287 CB GLU A 17 -11.126 -6.182 -17.210 1.00 0.00 C ATOM 288 CG GLU A 17 -11.100 -7.693 -17.319 1.00 0.00 C ATOM 289 CD GLU A 17 -12.194 -8.327 -16.496 1.00 0.00 C ATOM 290 OE1 GLU A 17 -11.982 -8.527 -15.283 1.00 0.00 O ATOM 291 OE2 GLU A 17 -13.273 -8.616 -17.051 1.00 0.00 O ATOM 0 H GLU A 17 -12.870 -6.048 -19.817 1.00 0.00 H new ATOM 0 HA GLU A 17 -13.240 -6.150 -17.636 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.231 -5.777 -17.683 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.085 -5.902 -16.157 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.213 -7.985 -18.363 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.131 -8.066 -16.987 1.00 0.00 H new ATOM 298 N ALA A 18 -12.420 -4.052 -15.947 1.00 0.00 N ATOM 299 CA ALA A 18 -12.505 -2.781 -15.250 1.00 0.00 C ATOM 300 C ALA A 18 -11.373 -2.677 -14.236 1.00 0.00 C ATOM 301 O ALA A 18 -11.461 -3.238 -13.140 1.00 0.00 O ATOM 302 CB ALA A 18 -13.860 -2.628 -14.569 1.00 0.00 C ATOM 0 H ALA A 18 -12.215 -4.847 -15.342 1.00 0.00 H new ATOM 0 HA ALA A 18 -12.405 -1.972 -15.974 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.902 -1.669 -14.053 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -14.651 -2.672 -15.318 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.998 -3.434 -13.848 1.00 0.00 H new ATOM 308 N PRO A 19 -10.280 -1.984 -14.608 1.00 0.00 N ATOM 309 CA PRO A 19 -9.096 -1.828 -13.751 1.00 0.00 C ATOM 310 C PRO A 19 -9.461 -1.304 -12.364 1.00 0.00 C ATOM 311 O PRO A 19 -10.230 -0.349 -12.229 1.00 0.00 O ATOM 312 CB PRO A 19 -8.227 -0.803 -14.499 1.00 0.00 C ATOM 313 CG PRO A 19 -9.105 -0.228 -15.561 1.00 0.00 C ATOM 314 CD PRO A 19 -10.107 -1.295 -15.892 1.00 0.00 C ATOM 0 HA PRO A 19 -8.591 -2.779 -13.581 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.869 -0.026 -13.824 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.347 -1.278 -14.933 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.601 0.677 -15.210 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.524 0.048 -16.441 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -11.044 -0.872 -16.254 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.741 -1.968 -16.667 1.00 0.00 H new ATOM 322 N GLU A 20 -8.909 -1.930 -11.338 1.00 0.00 N ATOM 323 CA GLU A 20 -9.254 -1.578 -9.974 1.00 0.00 C ATOM 324 C GLU A 20 -8.329 -0.491 -9.438 1.00 0.00 C ATOM 325 O GLU A 20 -7.154 -0.727 -9.143 1.00 0.00 O ATOM 326 CB GLU A 20 -9.248 -2.819 -9.065 1.00 0.00 C ATOM 327 CG GLU A 20 -7.937 -3.587 -9.040 1.00 0.00 C ATOM 328 CD GLU A 20 -8.010 -4.839 -8.187 1.00 0.00 C ATOM 329 OE1 GLU A 20 -8.314 -4.730 -6.979 1.00 0.00 O ATOM 330 OE2 GLU A 20 -7.740 -5.934 -8.715 1.00 0.00 O ATOM 0 H GLU A 20 -8.224 -2.681 -11.424 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.267 -1.176 -9.976 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.490 -2.508 -8.049 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.041 -3.493 -9.389 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.662 -3.861 -10.058 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.148 -2.939 -8.660 1.00 0.00 H new ATOM 337 N THR A 21 -8.859 0.719 -9.364 1.00 0.00 N ATOM 338 CA THR A 21 -8.143 1.822 -8.767 1.00 0.00 C ATOM 339 C THR A 21 -8.632 2.029 -7.344 1.00 0.00 C ATOM 340 O THR A 21 -9.807 2.311 -7.112 1.00 0.00 O ATOM 341 CB THR A 21 -8.334 3.115 -9.575 1.00 0.00 C ATOM 342 OG1 THR A 21 -8.132 2.848 -10.967 1.00 0.00 O ATOM 343 CG2 THR A 21 -7.360 4.191 -9.127 1.00 0.00 C ATOM 0 H THR A 21 -9.787 0.958 -9.713 1.00 0.00 H new ATOM 0 HA THR A 21 -7.080 1.581 -8.764 1.00 0.00 H new ATOM 0 HB THR A 21 -9.349 3.473 -9.405 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.256 3.674 -11.480 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.519 5.094 -9.717 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.523 4.413 -8.072 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.338 3.839 -9.270 1.00 0.00 H new ATOM 351 N VAL A 22 -7.728 1.880 -6.402 1.00 0.00 N ATOM 352 CA VAL A 22 -8.082 1.919 -4.999 1.00 0.00 C ATOM 353 C VAL A 22 -7.883 3.318 -4.445 1.00 0.00 C ATOM 354 O VAL A 22 -6.822 3.921 -4.619 1.00 0.00 O ATOM 355 CB VAL A 22 -7.242 0.915 -4.183 1.00 0.00 C ATOM 356 CG1 VAL A 22 -7.670 0.901 -2.723 1.00 0.00 C ATOM 357 CG2 VAL A 22 -7.337 -0.474 -4.791 1.00 0.00 C ATOM 0 H VAL A 22 -6.735 1.730 -6.583 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.132 1.641 -4.913 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.201 1.235 -4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.061 0.184 -2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.537 1.895 -2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.719 0.614 -2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.739 -1.170 -4.203 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.377 -0.800 -4.792 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.964 -0.449 -5.815 1.00 0.00 H new ATOM 367 N VAL A 23 -8.914 3.830 -3.792 1.00 0.00 N ATOM 368 CA VAL A 23 -8.861 5.152 -3.192 1.00 0.00 C ATOM 369 C VAL A 23 -8.246 5.069 -1.798 1.00 0.00 C ATOM 370 O VAL A 23 -8.701 4.299 -0.949 1.00 0.00 O ATOM 371 CB VAL A 23 -10.269 5.783 -3.097 1.00 0.00 C ATOM 372 CG1 VAL A 23 -10.199 7.198 -2.538 1.00 0.00 C ATOM 373 CG2 VAL A 23 -10.958 5.773 -4.455 1.00 0.00 C ATOM 0 H VAL A 23 -9.803 3.346 -3.664 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.243 5.784 -3.830 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.861 5.179 -2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.204 7.617 -2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.760 7.174 -1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.583 7.817 -3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.947 6.222 -4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -10.364 6.344 -5.168 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -11.056 4.746 -4.806 1.00 0.00 H new ATOM 383 N VAL A 24 -7.201 5.847 -1.577 1.00 0.00 N ATOM 384 CA VAL A 24 -6.508 5.852 -0.298 1.00 0.00 C ATOM 385 C VAL A 24 -6.463 7.254 0.289 1.00 0.00 C ATOM 386 O VAL A 24 -6.605 8.248 -0.425 1.00 0.00 O ATOM 387 CB VAL A 24 -5.069 5.305 -0.423 1.00 0.00 C ATOM 388 CG1 VAL A 24 -5.084 3.833 -0.803 1.00 0.00 C ATOM 389 CG2 VAL A 24 -4.269 6.112 -1.434 1.00 0.00 C ATOM 0 H VAL A 24 -6.811 6.487 -2.269 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.070 5.197 0.368 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.585 5.402 0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.060 3.468 -0.886 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.611 3.265 -0.037 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.592 3.709 -1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.259 5.708 -1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.752 6.054 -2.409 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.222 7.153 -1.113 1.00 0.00 H new ATOM 399 N SER A 25 -6.288 7.320 1.591 1.00 0.00 N ATOM 400 CA SER A 25 -6.171 8.584 2.283 1.00 0.00 C ATOM 401 C SER A 25 -4.731 8.772 2.748 1.00 0.00 C ATOM 402 O SER A 25 -4.336 9.846 3.207 1.00 0.00 O ATOM 403 CB SER A 25 -7.127 8.606 3.475 1.00 0.00 C ATOM 404 OG SER A 25 -7.291 9.916 3.985 1.00 0.00 O ATOM 0 H SER A 25 -6.223 6.502 2.197 1.00 0.00 H new ATOM 0 HA SER A 25 -6.435 9.401 1.611 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.096 8.208 3.173 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.746 7.954 4.261 1.00 0.00 H new ATOM 0 HG SER A 25 -8.172 10.259 3.728 1.00 0.00 H new ATOM 410 N THR A 26 -3.953 7.713 2.604 1.00 0.00 N ATOM 411 CA THR A 26 -2.569 7.710 3.037 1.00 0.00 C ATOM 412 C THR A 26 -1.638 7.769 1.828 1.00 0.00 C ATOM 413 O THR A 26 -1.920 7.161 0.795 1.00 0.00 O ATOM 414 CB THR A 26 -2.264 6.439 3.852 1.00 0.00 C ATOM 415 OG1 THR A 26 -3.413 6.084 4.638 1.00 0.00 O ATOM 416 CG2 THR A 26 -1.067 6.654 4.769 1.00 0.00 C ATOM 0 H THR A 26 -4.262 6.836 2.186 1.00 0.00 H new ATOM 0 HA THR A 26 -2.405 8.586 3.664 1.00 0.00 H new ATOM 0 HB THR A 26 -2.027 5.633 3.157 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.218 5.274 5.155 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.872 5.742 5.333 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.191 6.904 4.171 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.280 7.470 5.460 1.00 0.00 H new ATOM 424 N TRP A 27 -0.545 8.512 1.953 1.00 0.00 N ATOM 425 CA TRP A 27 0.441 8.604 0.887 1.00 0.00 C ATOM 426 C TRP A 27 1.390 7.411 0.950 1.00 0.00 C ATOM 427 O TRP A 27 1.674 6.773 -0.063 1.00 0.00 O ATOM 428 CB TRP A 27 1.220 9.916 0.993 1.00 0.00 C ATOM 429 CG TRP A 27 0.354 11.133 0.869 1.00 0.00 C ATOM 430 CD1 TRP A 27 -0.173 11.868 1.891 1.00 0.00 C ATOM 431 CD2 TRP A 27 -0.086 11.756 -0.343 1.00 0.00 C ATOM 432 NE1 TRP A 27 -0.914 12.909 1.389 1.00 0.00 N ATOM 433 CE2 TRP A 27 -0.876 12.862 0.022 1.00 0.00 C ATOM 434 CE3 TRP A 27 0.111 11.489 -1.701 1.00 0.00 C ATOM 435 CZ2 TRP A 27 -1.468 13.697 -0.919 1.00 0.00 C ATOM 436 CZ3 TRP A 27 -0.477 12.320 -2.633 1.00 0.00 C ATOM 437 CH2 TRP A 27 -1.258 13.413 -2.239 1.00 0.00 C ATOM 0 H TRP A 27 -0.320 9.060 2.784 1.00 0.00 H new ATOM 0 HA TRP A 27 -0.075 8.590 -0.073 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.740 9.945 1.951 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.983 9.941 0.215 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -0.028 11.661 2.941 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -1.412 13.604 1.945 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.712 10.648 -2.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -2.072 14.540 -0.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.332 12.124 -3.685 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -1.703 14.044 -2.993 1.00 0.00 H new ATOM 448 N LYS A 28 1.881 7.116 2.146 1.00 0.00 N ATOM 449 CA LYS A 28 2.692 5.925 2.365 1.00 0.00 C ATOM 450 C LYS A 28 1.790 4.766 2.755 1.00 0.00 C ATOM 451 O LYS A 28 1.356 4.663 3.901 1.00 0.00 O ATOM 452 CB LYS A 28 3.749 6.172 3.444 1.00 0.00 C ATOM 453 CG LYS A 28 4.755 7.242 3.065 1.00 0.00 C ATOM 454 CD LYS A 28 5.788 7.452 4.155 1.00 0.00 C ATOM 455 CE LYS A 28 6.776 8.540 3.773 1.00 0.00 C ATOM 456 NZ LYS A 28 7.780 8.794 4.841 1.00 0.00 N ATOM 0 H LYS A 28 1.732 7.685 2.980 1.00 0.00 H new ATOM 0 HA LYS A 28 3.215 5.679 1.441 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.252 6.462 4.370 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.278 5.240 3.644 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.256 6.959 2.139 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.234 8.180 2.872 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.289 7.721 5.086 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.322 6.520 4.338 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.290 8.254 2.855 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.234 9.461 3.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.432 9.544 4.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.294 9.093 5.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.317 7.923 5.027 1.00 0.00 H new ATOM 470 N VAL A 29 1.491 3.909 1.791 1.00 0.00 N ATOM 471 CA VAL A 29 0.524 2.845 1.995 1.00 0.00 C ATOM 472 C VAL A 29 1.195 1.482 2.082 1.00 0.00 C ATOM 473 O VAL A 29 2.210 1.229 1.428 1.00 0.00 O ATOM 474 CB VAL A 29 -0.523 2.816 0.862 1.00 0.00 C ATOM 475 CG1 VAL A 29 -1.442 4.023 0.949 1.00 0.00 C ATOM 476 CG2 VAL A 29 0.156 2.757 -0.502 1.00 0.00 C ATOM 0 H VAL A 29 1.905 3.931 0.859 1.00 0.00 H new ATOM 0 HA VAL A 29 0.028 3.056 2.942 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.126 1.916 0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.173 3.983 0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.961 4.017 1.908 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.853 4.936 0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.602 2.737 -1.285 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.789 3.635 -0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.767 1.857 -0.566 1.00 0.00 H new ATOM 486 N ALA A 30 0.623 0.613 2.901 1.00 0.00 N ATOM 487 CA ALA A 30 1.073 -0.762 2.991 1.00 0.00 C ATOM 488 C ALA A 30 0.289 -1.616 2.005 1.00 0.00 C ATOM 489 O ALA A 30 -0.876 -1.941 2.241 1.00 0.00 O ATOM 490 CB ALA A 30 0.912 -1.284 4.412 1.00 0.00 C ATOM 0 H ALA A 30 -0.159 0.841 3.515 1.00 0.00 H new ATOM 0 HA ALA A 30 2.132 -0.813 2.737 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.255 -2.318 4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.504 -0.673 5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.138 -1.236 4.701 1.00 0.00 H new ATOM 496 N CYS A 31 0.923 -1.941 0.890 1.00 0.00 N ATOM 497 CA CYS A 31 0.288 -2.725 -0.155 1.00 0.00 C ATOM 498 C CYS A 31 0.120 -4.164 0.318 1.00 0.00 C ATOM 499 O CYS A 31 0.873 -4.631 1.171 1.00 0.00 O ATOM 500 CB CYS A 31 1.115 -2.661 -1.441 1.00 0.00 C ATOM 501 SG CYS A 31 0.239 -3.230 -2.919 1.00 0.00 S ATOM 0 H CYS A 31 1.885 -1.671 0.685 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.698 -2.313 -0.370 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.440 -1.633 -1.599 1.00 0.00 H new ATOM 0 HB3 CYS A 31 2.014 -3.263 -1.311 1.00 0.00 H new ATOM 0 HG CYS A 31 1.030 -3.154 -3.948 1.00 0.00 H new ATOM 507 N ASP A 32 -0.830 -4.872 -0.265 1.00 0.00 N ATOM 508 CA ASP A 32 -1.279 -6.136 0.270 1.00 0.00 C ATOM 509 C ASP A 32 -2.262 -6.733 -0.721 1.00 0.00 C ATOM 510 O ASP A 32 -3.451 -6.413 -0.706 1.00 0.00 O ATOM 511 CB ASP A 32 -1.939 -5.939 1.643 1.00 0.00 C ATOM 512 CG ASP A 32 -2.083 -7.223 2.440 1.00 0.00 C ATOM 513 OD1 ASP A 32 -2.866 -8.100 2.030 1.00 0.00 O ATOM 514 OD2 ASP A 32 -1.431 -7.346 3.500 1.00 0.00 O ATOM 0 H ASP A 32 -1.308 -4.585 -1.119 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.434 -6.809 0.413 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.350 -5.227 2.221 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.925 -5.496 1.502 1.00 0.00 H new ATOM 519 N GLY A 33 -1.706 -7.505 -1.641 1.00 0.00 N ATOM 520 CA GLY A 33 -2.463 -8.145 -2.719 1.00 0.00 C ATOM 521 C GLY A 33 -3.838 -8.671 -2.337 1.00 0.00 C ATOM 522 O GLY A 33 -4.792 -8.509 -3.093 1.00 0.00 O ATOM 0 H GLY A 33 -0.707 -7.710 -1.666 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.581 -7.427 -3.531 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.873 -8.974 -3.110 1.00 0.00 H new ATOM 526 N GLY A 34 -3.945 -9.304 -1.188 1.00 0.00 N ATOM 527 CA GLY A 34 -5.233 -9.825 -0.759 1.00 0.00 C ATOM 528 C GLY A 34 -5.146 -10.668 0.496 1.00 0.00 C ATOM 529 O GLY A 34 -4.110 -10.695 1.164 1.00 0.00 O ATOM 0 H GLY A 34 -3.173 -9.470 -0.542 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.914 -8.993 -0.584 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.662 -10.424 -1.563 1.00 0.00 H new ATOM 533 N GLU A 35 -6.232 -11.359 0.821 1.00 0.00 N ATOM 534 CA GLU A 35 -6.279 -12.184 2.023 1.00 0.00 C ATOM 535 C GLU A 35 -5.594 -13.523 1.789 1.00 0.00 C ATOM 536 O GLU A 35 -5.630 -14.070 0.683 1.00 0.00 O ATOM 537 CB GLU A 35 -7.723 -12.437 2.457 1.00 0.00 C ATOM 538 CG GLU A 35 -8.525 -11.182 2.755 1.00 0.00 C ATOM 539 CD GLU A 35 -9.958 -11.504 3.139 1.00 0.00 C ATOM 540 OE1 GLU A 35 -10.798 -11.671 2.230 1.00 0.00 O ATOM 541 OE2 GLU A 35 -10.250 -11.615 4.350 1.00 0.00 O ATOM 0 H GLU A 35 -7.091 -11.365 0.270 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.755 -11.641 2.809 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.231 -12.999 1.673 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.716 -13.067 3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.048 -10.630 3.564 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.521 -10.532 1.880 1.00 0.00 H new ATOM 548 N GLY A 36 -4.988 -14.047 2.843 1.00 0.00 N ATOM 549 CA GLY A 36 -4.380 -15.358 2.784 1.00 0.00 C ATOM 550 C GLY A 36 -3.181 -15.418 1.863 1.00 0.00 C ATOM 551 O GLY A 36 -2.217 -14.665 2.026 1.00 0.00 O ATOM 0 H GLY A 36 -4.906 -13.581 3.747 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.075 -15.655 3.787 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.123 -16.082 2.450 1.00 0.00 H new ATOM 555 N ALA A 37 -3.251 -16.317 0.895 1.00 0.00 N ATOM 556 CA ALA A 37 -2.162 -16.527 -0.051 1.00 0.00 C ATOM 557 C ALA A 37 -2.490 -15.912 -1.410 1.00 0.00 C ATOM 558 O ALA A 37 -1.923 -16.295 -2.437 1.00 0.00 O ATOM 559 CB ALA A 37 -1.877 -18.017 -0.196 1.00 0.00 C ATOM 0 H ALA A 37 -4.059 -16.920 0.741 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.271 -16.032 0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.062 -18.164 -0.905 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.595 -18.429 0.773 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.770 -18.525 -0.560 1.00 0.00 H new ATOM 565 N LEU A 38 -3.411 -14.962 -1.412 1.00 0.00 N ATOM 566 CA LEU A 38 -3.775 -14.259 -2.633 1.00 0.00 C ATOM 567 C LEU A 38 -3.028 -12.937 -2.714 1.00 0.00 C ATOM 568 O LEU A 38 -2.986 -12.179 -1.744 1.00 0.00 O ATOM 569 CB LEU A 38 -5.285 -14.008 -2.683 1.00 0.00 C ATOM 570 CG LEU A 38 -6.153 -15.264 -2.758 1.00 0.00 C ATOM 571 CD1 LEU A 38 -7.625 -14.888 -2.760 1.00 0.00 C ATOM 572 CD2 LEU A 38 -5.809 -16.084 -3.992 1.00 0.00 C ATOM 0 H LEU A 38 -3.921 -14.659 -0.582 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.499 -14.881 -3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.572 -13.440 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.504 -13.382 -3.548 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.951 -15.875 -1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.231 -15.792 -2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.863 -14.345 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.838 -14.256 -3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.439 -16.973 -4.025 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.980 -15.485 -4.886 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.762 -16.383 -3.950 1.00 0.00 H new ATOM 584 N GLY A 39 -2.417 -12.675 -3.860 1.00 0.00 N ATOM 585 CA GLY A 39 -1.708 -11.431 -4.043 1.00 0.00 C ATOM 586 C GLY A 39 -0.226 -11.581 -3.824 1.00 0.00 C ATOM 587 O GLY A 39 0.418 -12.455 -4.406 1.00 0.00 O ATOM 0 H GLY A 39 -2.401 -13.302 -4.664 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.888 -11.057 -5.051 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.102 -10.686 -3.352 1.00 0.00 H new ATOM 591 N HIS A 40 0.300 -10.725 -2.978 1.00 0.00 N ATOM 592 CA HIS A 40 1.722 -10.705 -2.670 1.00 0.00 C ATOM 593 C HIS A 40 1.939 -10.266 -1.224 1.00 0.00 C ATOM 594 O HIS A 40 1.029 -9.701 -0.611 1.00 0.00 O ATOM 595 CB HIS A 40 2.461 -9.755 -3.627 1.00 0.00 C ATOM 596 CG HIS A 40 1.989 -8.328 -3.573 1.00 0.00 C ATOM 597 ND1 HIS A 40 2.313 -7.446 -2.565 1.00 0.00 N ATOM 598 CD2 HIS A 40 1.209 -7.633 -4.438 1.00 0.00 C ATOM 599 CE1 HIS A 40 1.733 -6.275 -2.836 1.00 0.00 C ATOM 600 NE2 HIS A 40 1.050 -6.332 -3.964 1.00 0.00 N ATOM 0 H HIS A 40 -0.243 -10.019 -2.480 1.00 0.00 H new ATOM 0 HA HIS A 40 2.122 -11.711 -2.798 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.526 -9.782 -3.396 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.347 -10.124 -4.646 1.00 0.00 H new ATOM 0 HD1 HIS A 40 2.895 -7.652 -1.753 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.780 -8.025 -5.348 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.812 -5.396 -2.214 1.00 0.00 H new ATOM 608 N PRO A 41 3.139 -10.521 -0.662 1.00 0.00 N ATOM 609 CA PRO A 41 3.497 -10.069 0.690 1.00 0.00 C ATOM 610 C PRO A 41 3.335 -8.557 0.856 1.00 0.00 C ATOM 611 O PRO A 41 3.355 -7.807 -0.123 1.00 0.00 O ATOM 612 CB PRO A 41 4.971 -10.467 0.826 1.00 0.00 C ATOM 613 CG PRO A 41 5.151 -11.585 -0.137 1.00 0.00 C ATOM 614 CD PRO A 41 4.232 -11.289 -1.287 1.00 0.00 C ATOM 0 HA PRO A 41 2.853 -10.512 1.450 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.630 -9.631 0.590 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.204 -10.780 1.844 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.186 -11.650 -0.471 1.00 0.00 H new ATOM 0 HG3 PRO A 41 4.904 -12.541 0.324 1.00 0.00 H new ATOM 0 HD2 PRO A 41 4.734 -10.713 -2.065 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.865 -12.203 -1.754 1.00 0.00 H new ATOM 622 N ARG A 42 3.193 -8.116 2.095 1.00 0.00 N ATOM 623 CA ARG A 42 2.920 -6.713 2.382 1.00 0.00 C ATOM 624 C ARG A 42 4.153 -5.844 2.132 1.00 0.00 C ATOM 625 O ARG A 42 5.233 -6.090 2.679 1.00 0.00 O ATOM 626 CB ARG A 42 2.436 -6.566 3.824 1.00 0.00 C ATOM 627 CG ARG A 42 1.787 -5.223 4.123 1.00 0.00 C ATOM 628 CD ARG A 42 1.054 -5.257 5.454 1.00 0.00 C ATOM 629 NE ARG A 42 0.094 -6.363 5.510 1.00 0.00 N ATOM 630 CZ ARG A 42 -0.238 -7.008 6.625 1.00 0.00 C ATOM 631 NH1 ARG A 42 0.215 -6.591 7.798 1.00 0.00 N ATOM 632 NH2 ARG A 42 -1.043 -8.060 6.563 1.00 0.00 N ATOM 0 H ARG A 42 3.262 -8.709 2.922 1.00 0.00 H new ATOM 0 HA ARG A 42 2.137 -6.368 1.707 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.721 -7.360 4.039 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.282 -6.708 4.497 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.549 -4.443 4.143 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.089 -4.967 3.326 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.775 -5.358 6.265 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.532 -4.313 5.607 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.348 -6.657 4.639 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.821 -5.772 7.849 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.042 -7.089 8.650 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.406 -8.372 5.662 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.300 -8.557 7.416 1.00 0.00 H new ATOM 646 N VAL A 43 3.984 -4.828 1.294 1.00 0.00 N ATOM 647 CA VAL A 43 5.075 -3.934 0.923 1.00 0.00 C ATOM 648 C VAL A 43 4.683 -2.498 1.247 1.00 0.00 C ATOM 649 O VAL A 43 3.504 -2.200 1.402 1.00 0.00 O ATOM 650 CB VAL A 43 5.404 -4.034 -0.587 1.00 0.00 C ATOM 651 CG1 VAL A 43 6.740 -3.381 -0.910 1.00 0.00 C ATOM 652 CG2 VAL A 43 5.391 -5.478 -1.062 1.00 0.00 C ATOM 0 H VAL A 43 3.092 -4.601 0.854 1.00 0.00 H new ATOM 0 HA VAL A 43 5.958 -4.229 1.489 1.00 0.00 H new ATOM 0 HB VAL A 43 4.624 -3.492 -1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.939 -3.469 -1.978 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.706 -2.327 -0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.533 -3.878 -0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.626 -5.513 -2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.135 -6.050 -0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.403 -5.907 -0.894 1.00 0.00 H new ATOM 662 N TRP A 44 5.658 -1.613 1.346 1.00 0.00 N ATOM 663 CA TRP A 44 5.390 -0.216 1.622 1.00 0.00 C ATOM 664 C TRP A 44 5.597 0.629 0.373 1.00 0.00 C ATOM 665 O TRP A 44 6.658 0.582 -0.249 1.00 0.00 O ATOM 666 CB TRP A 44 6.293 0.288 2.745 1.00 0.00 C ATOM 667 CG TRP A 44 5.850 -0.145 4.106 1.00 0.00 C ATOM 668 CD1 TRP A 44 6.367 -1.162 4.852 1.00 0.00 C ATOM 669 CD2 TRP A 44 4.790 0.424 4.882 1.00 0.00 C ATOM 670 NE1 TRP A 44 5.699 -1.257 6.048 1.00 0.00 N ATOM 671 CE2 TRP A 44 4.726 -0.296 6.089 1.00 0.00 C ATOM 672 CE3 TRP A 44 3.894 1.475 4.675 1.00 0.00 C ATOM 673 CZ2 TRP A 44 3.797 -0.001 7.083 1.00 0.00 C ATOM 674 CZ3 TRP A 44 2.974 1.768 5.663 1.00 0.00 C ATOM 675 CH2 TRP A 44 2.932 1.033 6.855 1.00 0.00 C ATOM 0 H TRP A 44 6.647 -1.840 1.239 1.00 0.00 H new ATOM 0 HA TRP A 44 4.350 -0.126 1.936 1.00 0.00 H new ATOM 0 HB2 TRP A 44 7.308 -0.068 2.572 1.00 0.00 H new ATOM 0 HB3 TRP A 44 6.327 1.377 2.712 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.183 -1.800 4.547 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.896 -1.934 6.785 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.920 2.048 3.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.761 -0.568 8.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.275 2.578 5.514 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.202 1.288 7.609 1.00 0.00 H new ATOM 686 N LEU A 45 4.580 1.386 0.001 1.00 0.00 N ATOM 687 CA LEU A 45 4.665 2.268 -1.141 1.00 0.00 C ATOM 688 C LEU A 45 4.547 3.713 -0.683 1.00 0.00 C ATOM 689 O LEU A 45 4.184 3.978 0.461 1.00 0.00 O ATOM 690 CB LEU A 45 3.557 1.943 -2.140 1.00 0.00 C ATOM 691 CG LEU A 45 3.623 0.541 -2.755 1.00 0.00 C ATOM 692 CD1 LEU A 45 2.459 0.321 -3.702 1.00 0.00 C ATOM 693 CD2 LEU A 45 4.944 0.332 -3.484 1.00 0.00 C ATOM 0 H LEU A 45 3.680 1.404 0.480 1.00 0.00 H new ATOM 0 HA LEU A 45 5.629 2.126 -1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.595 2.058 -1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.589 2.677 -2.945 1.00 0.00 H new ATOM 0 HG LEU A 45 3.558 -0.188 -1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.522 -0.680 -4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.521 0.424 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.496 1.060 -4.502 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.969 -0.670 -3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.041 1.070 -4.281 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.769 0.446 -2.781 1.00 0.00 H new ATOM 705 N SER A 46 4.856 4.643 -1.569 1.00 0.00 N ATOM 706 CA SER A 46 4.763 6.060 -1.252 1.00 0.00 C ATOM 707 C SER A 46 4.281 6.846 -2.468 1.00 0.00 C ATOM 708 O SER A 46 4.968 6.917 -3.490 1.00 0.00 O ATOM 709 CB SER A 46 6.120 6.576 -0.767 1.00 0.00 C ATOM 710 OG SER A 46 6.573 5.822 0.350 1.00 0.00 O ATOM 0 H SER A 46 5.175 4.443 -2.517 1.00 0.00 H new ATOM 0 HA SER A 46 4.036 6.199 -0.452 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.849 6.513 -1.575 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.038 7.628 -0.493 1.00 0.00 H new ATOM 0 HG SER A 46 7.442 6.165 0.645 1.00 0.00 H new ATOM 716 N ILE A 47 3.083 7.400 -2.355 1.00 0.00 N ATOM 717 CA ILE A 47 2.472 8.160 -3.432 1.00 0.00 C ATOM 718 C ILE A 47 3.073 9.560 -3.510 1.00 0.00 C ATOM 719 O ILE A 47 3.138 10.274 -2.508 1.00 0.00 O ATOM 720 CB ILE A 47 0.945 8.273 -3.232 1.00 0.00 C ATOM 721 CG1 ILE A 47 0.327 6.883 -3.049 1.00 0.00 C ATOM 722 CG2 ILE A 47 0.305 8.991 -4.411 1.00 0.00 C ATOM 723 CD1 ILE A 47 -1.166 6.908 -2.824 1.00 0.00 C ATOM 0 H ILE A 47 2.509 7.335 -1.515 1.00 0.00 H new ATOM 0 HA ILE A 47 2.670 7.629 -4.363 1.00 0.00 H new ATOM 0 HB ILE A 47 0.756 8.857 -2.331 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.543 6.280 -3.931 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.805 6.391 -2.202 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.771 9.062 -4.253 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.725 9.993 -4.499 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.502 8.434 -5.327 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.533 5.889 -2.703 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.389 7.483 -1.925 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.655 7.370 -3.681 1.00 0.00 H new ATOM 735 N PRO A 48 3.554 9.956 -4.697 1.00 0.00 N ATOM 736 CA PRO A 48 4.072 11.306 -4.930 1.00 0.00 C ATOM 737 C PRO A 48 2.992 12.367 -4.731 1.00 0.00 C ATOM 738 O PRO A 48 1.861 12.223 -5.208 1.00 0.00 O ATOM 739 CB PRO A 48 4.540 11.273 -6.389 1.00 0.00 C ATOM 740 CG PRO A 48 4.689 9.829 -6.714 1.00 0.00 C ATOM 741 CD PRO A 48 3.650 9.117 -5.899 1.00 0.00 C ATOM 0 HA PRO A 48 4.868 11.568 -4.232 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.815 11.753 -7.047 1.00 0.00 H new ATOM 0 HB3 PRO A 48 5.483 11.805 -6.513 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.540 9.651 -7.779 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.690 9.474 -6.468 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.697 9.052 -6.425 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.952 8.098 -5.659 1.00 0.00 H new ATOM 749 N HIS A 49 3.347 13.433 -4.027 1.00 0.00 N ATOM 750 CA HIS A 49 2.398 14.493 -3.705 1.00 0.00 C ATOM 751 C HIS A 49 2.128 15.376 -4.919 1.00 0.00 C ATOM 752 O HIS A 49 1.139 16.109 -4.956 1.00 0.00 O ATOM 753 CB HIS A 49 2.910 15.355 -2.542 1.00 0.00 C ATOM 754 CG HIS A 49 3.043 14.617 -1.245 1.00 0.00 C ATOM 755 ND1 HIS A 49 2.195 14.810 -0.177 1.00 0.00 N ATOM 756 CD2 HIS A 49 3.947 13.693 -0.838 1.00 0.00 C ATOM 757 CE1 HIS A 49 2.576 14.045 0.829 1.00 0.00 C ATOM 758 NE2 HIS A 49 3.636 13.356 0.455 1.00 0.00 N ATOM 0 H HIS A 49 4.288 13.588 -3.666 1.00 0.00 H new ATOM 0 HA HIS A 49 1.465 14.015 -3.405 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.881 15.771 -2.812 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.231 16.196 -2.401 1.00 0.00 H new ATOM 0 HD2 HIS A 49 4.762 13.295 -1.424 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.099 13.992 1.797 1.00 0.00 H new ATOM 0 HE2 HIS A 49 4.141 12.683 1.032 1.00 0.00 H new ATOM 767 N GLU A 50 3.014 15.308 -5.905 1.00 0.00 N ATOM 768 CA GLU A 50 2.862 16.088 -7.126 1.00 0.00 C ATOM 769 C GLU A 50 1.965 15.373 -8.133 1.00 0.00 C ATOM 770 O GLU A 50 1.446 15.996 -9.062 1.00 0.00 O ATOM 771 CB GLU A 50 4.229 16.412 -7.759 1.00 0.00 C ATOM 772 CG GLU A 50 5.172 15.223 -7.895 1.00 0.00 C ATOM 773 CD GLU A 50 5.966 14.956 -6.630 1.00 0.00 C ATOM 774 OE1 GLU A 50 5.460 14.244 -5.746 1.00 0.00 O ATOM 775 OE2 GLU A 50 7.104 15.458 -6.521 1.00 0.00 O ATOM 0 H GLU A 50 3.847 14.719 -5.882 1.00 0.00 H new ATOM 0 HA GLU A 50 2.384 17.028 -6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.063 16.840 -8.748 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.719 17.178 -7.158 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.595 14.334 -8.151 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.861 15.404 -8.720 1.00 0.00 H new ATOM 782 N THR A 51 1.769 14.073 -7.949 1.00 0.00 N ATOM 783 CA THR A 51 0.914 13.310 -8.846 1.00 0.00 C ATOM 784 C THR A 51 -0.474 13.103 -8.240 1.00 0.00 C ATOM 785 O THR A 51 -1.486 13.469 -8.842 1.00 0.00 O ATOM 786 CB THR A 51 1.530 11.941 -9.196 1.00 0.00 C ATOM 787 OG1 THR A 51 1.832 11.212 -8.002 1.00 0.00 O ATOM 788 CG2 THR A 51 2.795 12.110 -10.023 1.00 0.00 C ATOM 0 H THR A 51 2.187 13.530 -7.193 1.00 0.00 H new ATOM 0 HA THR A 51 0.822 13.892 -9.763 1.00 0.00 H new ATOM 0 HB THR A 51 0.800 11.385 -9.784 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.421 10.324 -8.048 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.210 11.130 -10.257 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.557 12.634 -10.949 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.525 12.688 -9.457 1.00 0.00 H new ATOM 796 N GLY A 52 -0.511 12.533 -7.039 1.00 0.00 N ATOM 797 CA GLY A 52 -1.775 12.237 -6.387 1.00 0.00 C ATOM 798 C GLY A 52 -2.179 10.790 -6.567 1.00 0.00 C ATOM 799 O GLY A 52 -3.170 10.335 -5.995 1.00 0.00 O ATOM 0 H GLY A 52 0.316 12.270 -6.503 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.696 12.462 -5.323 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.553 12.884 -6.793 1.00 0.00 H new ATOM 803 N PHE A 53 -1.401 10.069 -7.358 1.00 0.00 N ATOM 804 CA PHE A 53 -1.666 8.667 -7.637 1.00 0.00 C ATOM 805 C PHE A 53 -0.353 7.937 -7.885 1.00 0.00 C ATOM 806 O PHE A 53 0.671 8.575 -8.146 1.00 0.00 O ATOM 807 CB PHE A 53 -2.589 8.518 -8.856 1.00 0.00 C ATOM 808 CG PHE A 53 -1.991 9.019 -10.146 1.00 0.00 C ATOM 809 CD1 PHE A 53 -2.018 10.369 -10.463 1.00 0.00 C ATOM 810 CD2 PHE A 53 -1.401 8.138 -11.041 1.00 0.00 C ATOM 811 CE1 PHE A 53 -1.470 10.830 -11.641 1.00 0.00 C ATOM 812 CE2 PHE A 53 -0.850 8.595 -12.224 1.00 0.00 C ATOM 813 CZ PHE A 53 -0.885 9.944 -12.524 1.00 0.00 C ATOM 0 H PHE A 53 -0.571 10.437 -7.823 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.167 8.229 -6.774 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.851 7.466 -8.974 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.516 9.058 -8.664 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.474 11.068 -9.778 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.372 7.083 -10.811 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.498 11.884 -11.873 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.393 7.899 -12.912 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.456 10.304 -13.447 1.00 0.00 H new ATOM 823 N VAL A 54 -0.381 6.617 -7.804 1.00 0.00 N ATOM 824 CA VAL A 54 0.802 5.817 -8.078 1.00 0.00 C ATOM 825 C VAL A 54 0.407 4.463 -8.671 1.00 0.00 C ATOM 826 O VAL A 54 -0.630 3.895 -8.316 1.00 0.00 O ATOM 827 CB VAL A 54 1.658 5.609 -6.802 1.00 0.00 C ATOM 828 CG1 VAL A 54 0.915 4.764 -5.778 1.00 0.00 C ATOM 829 CG2 VAL A 54 2.999 4.973 -7.148 1.00 0.00 C ATOM 0 H VAL A 54 -1.209 6.077 -7.551 1.00 0.00 H new ATOM 0 HA VAL A 54 1.406 6.362 -8.803 1.00 0.00 H new ATOM 0 HB VAL A 54 1.845 6.588 -6.362 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.538 4.634 -4.893 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.013 5.263 -5.498 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.687 3.789 -6.208 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.583 4.837 -6.238 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.832 4.005 -7.620 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.543 5.622 -7.834 1.00 0.00 H new ATOM 839 N GLU A 55 1.212 3.975 -9.599 1.00 0.00 N ATOM 840 CA GLU A 55 1.006 2.659 -10.180 1.00 0.00 C ATOM 841 C GLU A 55 1.908 1.649 -9.483 1.00 0.00 C ATOM 842 O GLU A 55 3.093 1.907 -9.263 1.00 0.00 O ATOM 843 CB GLU A 55 1.296 2.683 -11.684 1.00 0.00 C ATOM 844 CG GLU A 55 0.437 3.675 -12.454 1.00 0.00 C ATOM 845 CD GLU A 55 0.707 3.646 -13.944 1.00 0.00 C ATOM 846 OE1 GLU A 55 1.742 4.198 -14.373 1.00 0.00 O ATOM 847 OE2 GLU A 55 -0.109 3.071 -14.687 1.00 0.00 O ATOM 0 H GLU A 55 2.021 4.475 -9.969 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.035 2.368 -10.040 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.347 2.928 -11.839 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.138 1.685 -12.092 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.615 3.454 -12.275 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.621 4.680 -12.075 1.00 0.00 H new ATOM 854 N CYS A 56 1.343 0.515 -9.105 1.00 0.00 N ATOM 855 CA CYS A 56 2.110 -0.513 -8.423 1.00 0.00 C ATOM 856 C CYS A 56 2.979 -1.274 -9.418 1.00 0.00 C ATOM 857 O CYS A 56 2.525 -1.637 -10.505 1.00 0.00 O ATOM 858 CB CYS A 56 1.177 -1.479 -7.684 1.00 0.00 C ATOM 859 SG CYS A 56 2.026 -2.711 -6.667 1.00 0.00 S ATOM 0 H CYS A 56 0.361 0.284 -9.258 1.00 0.00 H new ATOM 0 HA CYS A 56 2.758 -0.031 -7.691 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.506 -0.901 -7.048 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.556 -1.996 -8.416 1.00 0.00 H new ATOM 0 HG CYS A 56 1.159 -3.333 -5.925 1.00 0.00 H new ATOM 865 N GLY A 57 4.232 -1.497 -9.050 1.00 0.00 N ATOM 866 CA GLY A 57 5.132 -2.251 -9.899 1.00 0.00 C ATOM 867 C GLY A 57 5.219 -3.700 -9.477 1.00 0.00 C ATOM 868 O GLY A 57 6.290 -4.304 -9.510 1.00 0.00 O ATOM 0 H GLY A 57 4.643 -1.168 -8.176 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.791 -2.193 -10.933 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.125 -1.802 -9.866 1.00 0.00 H new ATOM 872 N TYR A 58 4.083 -4.253 -9.079 1.00 0.00 N ATOM 873 CA TYR A 58 4.011 -5.631 -8.619 1.00 0.00 C ATOM 874 C TYR A 58 2.595 -6.148 -8.834 1.00 0.00 C ATOM 875 O TYR A 58 2.376 -7.137 -9.529 1.00 0.00 O ATOM 876 CB TYR A 58 4.391 -5.712 -7.138 1.00 0.00 C ATOM 877 CG TYR A 58 5.080 -6.996 -6.744 1.00 0.00 C ATOM 878 CD1 TYR A 58 6.452 -7.137 -6.890 1.00 0.00 C ATOM 879 CD2 TYR A 58 4.362 -8.061 -6.221 1.00 0.00 C ATOM 880 CE1 TYR A 58 7.092 -8.300 -6.519 1.00 0.00 C ATOM 881 CE2 TYR A 58 4.995 -9.229 -5.843 1.00 0.00 C ATOM 882 CZ TYR A 58 6.358 -9.346 -5.998 1.00 0.00 C ATOM 883 OH TYR A 58 6.994 -10.510 -5.624 1.00 0.00 O ATOM 0 H TYR A 58 3.189 -3.762 -9.066 1.00 0.00 H new ATOM 0 HA TYR A 58 4.712 -6.246 -9.184 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.044 -4.874 -6.896 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.489 -5.598 -6.537 1.00 0.00 H new ATOM 0 HD1 TYR A 58 7.029 -6.322 -7.301 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.291 -7.976 -6.108 1.00 0.00 H new ATOM 0 HE1 TYR A 58 8.162 -8.392 -6.635 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.424 -10.046 -5.428 1.00 0.00 H new ATOM 0 HH TYR A 58 6.334 -11.146 -5.276 1.00 0.00 H new ATOM 893 N CYS A 59 1.632 -5.447 -8.249 1.00 0.00 N ATOM 894 CA CYS A 59 0.226 -5.748 -8.456 1.00 0.00 C ATOM 895 C CYS A 59 -0.339 -4.783 -9.493 1.00 0.00 C ATOM 896 O CYS A 59 0.297 -3.784 -9.831 1.00 0.00 O ATOM 897 CB CYS A 59 -0.540 -5.632 -7.133 1.00 0.00 C ATOM 898 SG CYS A 59 -2.284 -6.104 -7.217 1.00 0.00 S ATOM 0 H CYS A 59 1.804 -4.660 -7.623 1.00 0.00 H new ATOM 0 HA CYS A 59 0.117 -6.770 -8.819 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.046 -6.256 -6.388 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -0.474 -4.602 -6.781 1.00 0.00 H new ATOM 0 HG CYS A 59 -2.827 -5.968 -6.044 1.00 0.00 H new ATOM 904 N ASP A 60 -1.524 -5.073 -10.002 1.00 0.00 N ATOM 905 CA ASP A 60 -2.130 -4.239 -11.019 1.00 0.00 C ATOM 906 C ASP A 60 -3.018 -3.174 -10.382 1.00 0.00 C ATOM 907 O ASP A 60 -3.524 -2.275 -11.059 1.00 0.00 O ATOM 908 CB ASP A 60 -2.926 -5.093 -12.007 1.00 0.00 C ATOM 909 CG ASP A 60 -3.287 -4.337 -13.271 1.00 0.00 C ATOM 910 OD1 ASP A 60 -2.365 -3.996 -14.050 1.00 0.00 O ATOM 911 OD2 ASP A 60 -4.490 -4.096 -13.503 1.00 0.00 O ATOM 0 H ASP A 60 -2.084 -5.880 -9.726 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.336 -3.733 -11.569 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.344 -5.976 -12.270 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.838 -5.445 -11.525 1.00 0.00 H new ATOM 916 N ARG A 61 -3.199 -3.281 -9.070 1.00 0.00 N ATOM 917 CA ARG A 61 -3.968 -2.303 -8.315 1.00 0.00 C ATOM 918 C ARG A 61 -3.291 -0.940 -8.342 1.00 0.00 C ATOM 919 O ARG A 61 -2.119 -0.806 -7.991 1.00 0.00 O ATOM 920 CB ARG A 61 -4.147 -2.760 -6.866 1.00 0.00 C ATOM 921 CG ARG A 61 -5.057 -3.962 -6.710 1.00 0.00 C ATOM 922 CD ARG A 61 -5.292 -4.302 -5.247 1.00 0.00 C ATOM 923 NE ARG A 61 -6.263 -5.383 -5.085 1.00 0.00 N ATOM 924 CZ ARG A 61 -6.464 -6.042 -3.943 1.00 0.00 C ATOM 925 NH1 ARG A 61 -5.788 -5.707 -2.848 1.00 0.00 N ATOM 926 NH2 ARG A 61 -7.349 -7.030 -3.893 1.00 0.00 N ATOM 0 H ARG A 61 -2.820 -4.041 -8.506 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.948 -2.217 -8.785 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.170 -3.000 -6.447 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.550 -1.933 -6.281 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.012 -3.761 -7.195 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.616 -4.820 -7.217 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.348 -4.591 -4.786 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.646 -3.415 -4.721 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.821 -5.650 -5.896 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.113 -4.943 -2.879 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.945 -6.214 -1.977 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.876 -7.286 -4.728 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.502 -7.534 -3.019 1.00 0.00 H new ATOM 940 N ARG A 62 -4.037 0.066 -8.762 1.00 0.00 N ATOM 941 CA ARG A 62 -3.527 1.423 -8.828 1.00 0.00 C ATOM 942 C ARG A 62 -4.022 2.202 -7.621 1.00 0.00 C ATOM 943 O ARG A 62 -5.171 2.045 -7.215 1.00 0.00 O ATOM 944 CB ARG A 62 -3.999 2.087 -10.120 1.00 0.00 C ATOM 945 CG ARG A 62 -3.248 3.359 -10.475 1.00 0.00 C ATOM 946 CD ARG A 62 -3.767 3.960 -11.770 1.00 0.00 C ATOM 947 NE ARG A 62 -3.847 2.967 -12.841 1.00 0.00 N ATOM 948 CZ ARG A 62 -4.095 3.257 -14.116 1.00 0.00 C ATOM 949 NH1 ARG A 62 -4.236 4.519 -14.506 1.00 0.00 N ATOM 950 NH2 ARG A 62 -4.191 2.282 -15.004 1.00 0.00 N ATOM 0 H ARG A 62 -5.006 -0.033 -9.065 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.437 1.409 -8.821 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.896 1.376 -10.940 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.061 2.318 -10.030 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.352 4.083 -9.667 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.184 3.141 -10.573 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.754 4.390 -11.600 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.113 4.775 -12.079 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.703 1.988 -12.594 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.154 5.275 -13.826 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.426 4.732 -15.485 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.075 1.312 -14.711 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.381 2.500 -15.982 1.00 0.00 H new ATOM 964 N TYR A 63 -3.170 3.031 -7.042 1.00 0.00 N ATOM 965 CA TYR A 63 -3.541 3.758 -5.837 1.00 0.00 C ATOM 966 C TYR A 63 -3.676 5.241 -6.125 1.00 0.00 C ATOM 967 O TYR A 63 -2.807 5.835 -6.762 1.00 0.00 O ATOM 968 CB TYR A 63 -2.517 3.523 -4.722 1.00 0.00 C ATOM 969 CG TYR A 63 -2.483 2.099 -4.216 1.00 0.00 C ATOM 970 CD1 TYR A 63 -3.638 1.331 -4.187 1.00 0.00 C ATOM 971 CD2 TYR A 63 -1.303 1.527 -3.760 1.00 0.00 C ATOM 972 CE1 TYR A 63 -3.622 0.034 -3.721 1.00 0.00 C ATOM 973 CE2 TYR A 63 -1.279 0.225 -3.293 1.00 0.00 C ATOM 974 CZ TYR A 63 -2.443 -0.516 -3.278 1.00 0.00 C ATOM 975 OH TYR A 63 -2.433 -1.809 -2.804 1.00 0.00 O ATOM 0 H TYR A 63 -2.226 3.217 -7.381 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.507 3.382 -5.501 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -1.526 3.792 -5.088 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.741 4.190 -3.889 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.567 1.757 -4.536 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.392 2.106 -3.770 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -4.532 -0.548 -3.704 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.354 -0.209 -2.942 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.511 -2.081 -2.614 1.00 0.00 H new ATOM 985 N ILE A 64 -4.775 5.825 -5.676 1.00 0.00 N ATOM 986 CA ILE A 64 -5.009 7.248 -5.846 1.00 0.00 C ATOM 987 C ILE A 64 -5.507 7.854 -4.536 1.00 0.00 C ATOM 988 O ILE A 64 -6.294 7.234 -3.815 1.00 0.00 O ATOM 989 CB ILE A 64 -6.030 7.515 -6.979 1.00 0.00 C ATOM 990 CG1 ILE A 64 -6.113 9.014 -7.294 1.00 0.00 C ATOM 991 CG2 ILE A 64 -7.407 6.976 -6.608 1.00 0.00 C ATOM 992 CD1 ILE A 64 -7.052 9.348 -8.436 1.00 0.00 C ATOM 0 H ILE A 64 -5.523 5.331 -5.188 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.066 7.718 -6.124 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.685 6.992 -7.871 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.439 9.546 -6.400 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.116 9.380 -7.537 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.107 7.176 -7.420 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.344 5.901 -6.440 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -7.757 7.466 -5.699 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.057 10.426 -8.599 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.715 8.845 -9.343 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.059 9.013 -8.188 1.00 0.00 H new ATOM 1004 N HIS A 65 -5.032 9.045 -4.212 1.00 0.00 N ATOM 1005 CA HIS A 65 -5.470 9.718 -3.002 1.00 0.00 C ATOM 1006 C HIS A 65 -6.872 10.293 -3.211 1.00 0.00 C ATOM 1007 O HIS A 65 -7.186 10.810 -4.286 1.00 0.00 O ATOM 1008 CB HIS A 65 -4.487 10.825 -2.607 1.00 0.00 C ATOM 1009 CG HIS A 65 -4.752 11.406 -1.251 1.00 0.00 C ATOM 1010 ND1 HIS A 65 -5.618 12.454 -1.084 1.00 0.00 N ATOM 1011 CD2 HIS A 65 -4.240 11.060 -0.041 1.00 0.00 C ATOM 1012 CE1 HIS A 65 -5.617 12.730 0.210 1.00 0.00 C ATOM 1013 NE2 HIS A 65 -4.799 11.910 0.881 1.00 0.00 N ATOM 0 H HIS A 65 -4.349 9.562 -4.765 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.500 8.993 -2.189 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.473 10.425 -2.630 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.532 11.622 -3.350 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.531 10.270 0.157 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.201 13.516 0.666 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -4.624 11.916 1.886 1.00 0.00 H new ATOM 1021 N GLU A 66 -7.703 10.198 -2.180 1.00 0.00 N ATOM 1022 CA GLU A 66 -9.104 10.586 -2.266 1.00 0.00 C ATOM 1023 C GLU A 66 -9.286 12.051 -2.671 1.00 0.00 C ATOM 1024 O GLU A 66 -10.273 12.399 -3.321 1.00 0.00 O ATOM 1025 CB GLU A 66 -9.798 10.322 -0.928 1.00 0.00 C ATOM 1026 CG GLU A 66 -9.241 11.131 0.234 1.00 0.00 C ATOM 1027 CD GLU A 66 -10.022 10.919 1.509 1.00 0.00 C ATOM 1028 OE1 GLU A 66 -11.255 11.095 1.493 1.00 0.00 O ATOM 1029 OE2 GLU A 66 -9.410 10.569 2.539 1.00 0.00 O ATOM 0 H GLU A 66 -7.424 9.850 -1.262 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.560 9.980 -3.049 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.860 10.542 -1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.714 9.261 -0.691 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.199 10.855 0.399 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.253 12.190 -0.025 1.00 0.00 H new ATOM 1036 N SER A 67 -8.329 12.902 -2.314 1.00 0.00 N ATOM 1037 CA SER A 67 -8.449 14.332 -2.575 1.00 0.00 C ATOM 1038 C SER A 67 -8.344 14.622 -4.074 1.00 0.00 C ATOM 1039 O SER A 67 -8.889 15.613 -4.570 1.00 0.00 O ATOM 1040 CB SER A 67 -7.370 15.099 -1.799 1.00 0.00 C ATOM 1041 OG SER A 67 -6.076 14.820 -2.307 1.00 0.00 O ATOM 0 H SER A 67 -7.466 12.628 -1.845 1.00 0.00 H new ATOM 0 HA SER A 67 -9.430 14.666 -2.236 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.565 16.170 -1.862 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.415 14.828 -0.744 1.00 0.00 H new ATOM 0 HG SER A 67 -5.889 13.862 -2.218 1.00 0.00 H new ATOM 1047 N PHE A 68 -7.674 13.732 -4.799 1.00 0.00 N ATOM 1048 CA PHE A 68 -7.446 13.923 -6.224 1.00 0.00 C ATOM 1049 C PHE A 68 -8.724 13.645 -7.011 1.00 0.00 C ATOM 1050 O PHE A 68 -8.905 14.140 -8.120 1.00 0.00 O ATOM 1051 CB PHE A 68 -6.313 13.008 -6.700 1.00 0.00 C ATOM 1052 CG PHE A 68 -5.766 13.369 -8.055 1.00 0.00 C ATOM 1053 CD1 PHE A 68 -4.906 14.444 -8.205 1.00 0.00 C ATOM 1054 CD2 PHE A 68 -6.112 12.635 -9.178 1.00 0.00 C ATOM 1055 CE1 PHE A 68 -4.402 14.780 -9.448 1.00 0.00 C ATOM 1056 CE2 PHE A 68 -5.613 12.969 -10.423 1.00 0.00 C ATOM 1057 CZ PHE A 68 -4.754 14.042 -10.558 1.00 0.00 C ATOM 0 H PHE A 68 -7.280 12.871 -4.421 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.156 14.959 -6.398 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.503 13.040 -5.972 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.676 11.981 -6.728 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.625 15.027 -7.340 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.780 11.792 -9.079 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.732 15.621 -9.549 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.895 12.391 -11.290 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.360 14.302 -11.529 1.00 0.00 H new ATOM 1067 N ALA A 69 -9.617 12.867 -6.416 1.00 0.00 N ATOM 1068 CA ALA A 69 -10.870 12.501 -7.063 1.00 0.00 C ATOM 1069 C ALA A 69 -12.034 13.296 -6.480 1.00 0.00 C ATOM 1070 O ALA A 69 -13.192 13.077 -6.837 1.00 0.00 O ATOM 1071 CB ALA A 69 -11.116 11.005 -6.914 1.00 0.00 C ATOM 0 H ALA A 69 -9.497 12.475 -5.482 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.796 12.742 -8.124 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -12.055 10.740 -7.401 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.298 10.454 -7.379 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -11.171 10.749 -5.856 1.00 0.00 H new ATOM 1077 N ALA A 70 -11.714 14.230 -5.593 1.00 0.00 N ATOM 1078 CA ALA A 70 -12.732 15.029 -4.918 1.00 0.00 C ATOM 1079 C ALA A 70 -12.819 16.427 -5.518 1.00 0.00 C ATOM 1080 O ALA A 70 -13.485 17.310 -4.974 1.00 0.00 O ATOM 1081 CB ALA A 70 -12.429 15.110 -3.428 1.00 0.00 C ATOM 0 H ALA A 70 -10.756 14.454 -5.323 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.697 14.542 -5.059 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -13.194 15.708 -2.933 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.422 14.106 -3.003 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -11.454 15.574 -3.280 1.00 0.00 H new ATOM 1087 N ALA A 71 -12.152 16.621 -6.644 1.00 0.00 N ATOM 1088 CA ALA A 71 -12.126 17.917 -7.303 1.00 0.00 C ATOM 1089 C ALA A 71 -13.218 18.011 -8.361 1.00 0.00 C ATOM 1090 O ALA A 71 -13.122 17.388 -9.418 1.00 0.00 O ATOM 1091 CB ALA A 71 -10.764 18.168 -7.930 1.00 0.00 C ATOM 0 H ALA A 71 -11.619 15.895 -7.122 1.00 0.00 H new ATOM 0 HA ALA A 71 -12.312 18.683 -6.550 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.762 19.142 -8.419 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.998 18.150 -7.155 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -10.554 17.392 -8.666 1.00 0.00 H new ATOM 1097 N LYS A 72 -14.261 18.779 -8.062 1.00 0.00 N ATOM 1098 CA LYS A 72 -15.360 18.990 -8.996 1.00 0.00 C ATOM 1099 C LYS A 72 -16.073 20.300 -8.668 1.00 0.00 C ATOM 1100 O LYS A 72 -16.115 20.713 -7.508 1.00 0.00 O ATOM 1101 CB LYS A 72 -16.343 17.813 -8.943 1.00 0.00 C ATOM 1102 CG LYS A 72 -17.416 17.863 -10.023 1.00 0.00 C ATOM 1103 CD LYS A 72 -18.280 16.613 -10.029 1.00 0.00 C ATOM 1104 CE LYS A 72 -17.464 15.361 -10.323 1.00 0.00 C ATOM 1105 NZ LYS A 72 -16.749 15.439 -11.624 1.00 0.00 N ATOM 0 H LYS A 72 -14.368 19.268 -7.173 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.958 19.051 -10.007 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.786 16.881 -9.039 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.824 17.797 -7.965 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -18.047 18.738 -9.867 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.943 17.981 -10.998 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -18.772 16.507 -9.062 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -19.066 16.718 -10.777 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.740 15.207 -9.523 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.124 14.494 -10.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.364 14.504 -11.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.411 15.743 -12.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.971 16.126 -11.552 1.00 0.00 H new ATOM 1119 N LEU A 73 -16.618 20.951 -9.687 1.00 0.00 N ATOM 1120 CA LEU A 73 -17.259 22.250 -9.514 1.00 0.00 C ATOM 1121 C LEU A 73 -18.739 22.099 -9.157 1.00 0.00 C ATOM 1122 O LEU A 73 -19.285 20.993 -9.163 1.00 0.00 O ATOM 1123 CB LEU A 73 -17.116 23.072 -10.795 1.00 0.00 C ATOM 1124 CG LEU A 73 -15.679 23.364 -11.227 1.00 0.00 C ATOM 1125 CD1 LEU A 73 -15.675 24.097 -12.557 1.00 0.00 C ATOM 1126 CD2 LEU A 73 -14.961 24.184 -10.166 1.00 0.00 C ATOM 0 H LEU A 73 -16.629 20.601 -10.645 1.00 0.00 H new ATOM 0 HA LEU A 73 -16.764 22.764 -8.690 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -17.621 22.544 -11.604 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -17.637 24.020 -10.659 1.00 0.00 H new ATOM 0 HG LEU A 73 -15.149 22.419 -11.346 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.647 24.301 -12.857 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -16.158 23.480 -13.314 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -16.217 25.037 -12.456 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -13.939 24.383 -10.490 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -15.485 25.128 -10.019 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -14.943 23.629 -9.228 1.00 0.00 H new ATOM 1138 N GLU A 74 -19.378 23.220 -8.850 1.00 0.00 N ATOM 1139 CA GLU A 74 -20.801 23.243 -8.543 1.00 0.00 C ATOM 1140 C GLU A 74 -21.595 23.408 -9.834 1.00 0.00 C ATOM 1141 O GLU A 74 -22.201 22.464 -10.341 1.00 0.00 O ATOM 1142 CB GLU A 74 -21.114 24.402 -7.594 1.00 0.00 C ATOM 1143 CG GLU A 74 -20.336 24.370 -6.286 1.00 0.00 C ATOM 1144 CD GLU A 74 -20.529 25.635 -5.476 1.00 0.00 C ATOM 1145 OE1 GLU A 74 -21.630 25.831 -4.922 1.00 0.00 O ATOM 1146 OE2 GLU A 74 -19.591 26.455 -5.406 1.00 0.00 O ATOM 0 H GLU A 74 -18.927 24.134 -8.807 1.00 0.00 H new ATOM 0 HA GLU A 74 -21.079 22.306 -8.061 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -20.903 25.341 -8.105 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -22.180 24.394 -7.369 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -20.655 23.511 -5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -19.276 24.235 -6.499 1.00 0.00 H new ATOM 1153 N HIS A 75 -21.558 24.622 -10.363 1.00 0.00 N ATOM 1154 CA HIS A 75 -22.170 24.945 -11.642 1.00 0.00 C ATOM 1155 C HIS A 75 -21.251 25.900 -12.385 1.00 0.00 C ATOM 1156 O HIS A 75 -20.528 26.672 -11.759 1.00 0.00 O ATOM 1157 CB HIS A 75 -23.554 25.589 -11.468 1.00 0.00 C ATOM 1158 CG HIS A 75 -24.620 24.647 -10.994 1.00 0.00 C ATOM 1159 ND1 HIS A 75 -25.455 24.924 -9.932 1.00 0.00 N ATOM 1160 CD2 HIS A 75 -24.999 23.432 -11.459 1.00 0.00 C ATOM 1161 CE1 HIS A 75 -26.296 23.921 -9.763 1.00 0.00 C ATOM 1162 NE2 HIS A 75 -26.040 23.005 -10.675 1.00 0.00 N ATOM 0 H HIS A 75 -21.100 25.415 -9.914 1.00 0.00 H new ATOM 0 HA HIS A 75 -22.310 24.022 -12.205 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -23.472 26.412 -10.758 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -23.864 26.019 -12.420 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -24.563 22.900 -12.291 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -27.064 23.861 -9.006 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -26.536 22.120 -10.781 1.00 0.00 H new ATOM 1171 N HIS A 76 -21.263 25.849 -13.707 1.00 0.00 N ATOM 1172 CA HIS A 76 -20.388 26.715 -14.490 1.00 0.00 C ATOM 1173 C HIS A 76 -21.145 27.394 -15.624 1.00 0.00 C ATOM 1174 O HIS A 76 -21.465 26.778 -16.638 1.00 0.00 O ATOM 1175 CB HIS A 76 -19.165 25.945 -15.027 1.00 0.00 C ATOM 1176 CG HIS A 76 -19.486 24.715 -15.826 1.00 0.00 C ATOM 1177 ND1 HIS A 76 -19.367 24.649 -17.199 1.00 0.00 N ATOM 1178 CD2 HIS A 76 -19.904 23.491 -15.430 1.00 0.00 C ATOM 1179 CE1 HIS A 76 -19.699 23.440 -17.609 1.00 0.00 C ATOM 1180 NE2 HIS A 76 -20.027 22.721 -16.557 1.00 0.00 N ATOM 0 H HIS A 76 -21.858 25.229 -14.256 1.00 0.00 H new ATOM 0 HA HIS A 76 -20.023 27.494 -13.821 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -18.575 26.619 -15.648 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -18.537 25.658 -14.184 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -20.103 23.179 -14.415 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -19.701 23.098 -18.634 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -20.325 21.746 -16.577 1.00 0.00 H new ATOM 1189 N HIS A 77 -21.458 28.662 -15.420 1.00 0.00 N ATOM 1190 CA HIS A 77 -22.086 29.477 -16.450 1.00 0.00 C ATOM 1191 C HIS A 77 -21.056 30.419 -17.054 1.00 0.00 C ATOM 1192 O HIS A 77 -20.180 30.921 -16.348 1.00 0.00 O ATOM 1193 CB HIS A 77 -23.244 30.307 -15.880 1.00 0.00 C ATOM 1194 CG HIS A 77 -24.350 29.499 -15.275 1.00 0.00 C ATOM 1195 ND1 HIS A 77 -25.385 28.958 -16.013 1.00 0.00 N ATOM 1196 CD2 HIS A 77 -24.590 29.155 -13.988 1.00 0.00 C ATOM 1197 CE1 HIS A 77 -26.210 28.322 -15.204 1.00 0.00 C ATOM 1198 NE2 HIS A 77 -25.751 28.428 -13.973 1.00 0.00 N ATOM 0 H HIS A 77 -21.286 29.154 -14.543 1.00 0.00 H new ATOM 0 HA HIS A 77 -22.482 28.806 -17.212 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -22.850 30.984 -15.122 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -23.657 30.926 -16.677 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -23.980 29.407 -13.133 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -27.109 27.802 -15.500 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -26.190 28.032 -13.142 1.00 0.00 H new ATOM 1207 N HIS A 78 -21.153 30.644 -18.350 1.00 0.00 N ATOM 1208 CA HIS A 78 -20.284 31.607 -19.015 1.00 0.00 C ATOM 1209 C HIS A 78 -21.074 32.384 -20.064 1.00 0.00 C ATOM 1210 O HIS A 78 -20.527 33.209 -20.791 1.00 0.00 O ATOM 1211 CB HIS A 78 -19.057 30.917 -19.644 1.00 0.00 C ATOM 1212 CG HIS A 78 -19.343 30.103 -20.875 1.00 0.00 C ATOM 1213 ND1 HIS A 78 -19.043 30.542 -22.145 1.00 0.00 N ATOM 1214 CD2 HIS A 78 -19.873 28.865 -21.025 1.00 0.00 C ATOM 1215 CE1 HIS A 78 -19.371 29.616 -23.020 1.00 0.00 C ATOM 1216 NE2 HIS A 78 -19.878 28.587 -22.370 1.00 0.00 N ATOM 0 H HIS A 78 -21.820 30.178 -18.965 1.00 0.00 H new ATOM 0 HA HIS A 78 -19.912 32.308 -18.267 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -18.320 31.680 -19.895 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -18.602 30.268 -18.896 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -20.225 28.218 -20.235 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -19.246 29.687 -24.090 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -20.218 27.725 -22.796 1.00 0.00 H new ATOM 1225 N HIS A 79 -22.369 32.113 -20.128 1.00 0.00 N ATOM 1226 CA HIS A 79 -23.251 32.798 -21.054 1.00 0.00 C ATOM 1227 C HIS A 79 -24.563 33.128 -20.353 1.00 0.00 C ATOM 1228 O HIS A 79 -25.182 32.253 -19.746 1.00 0.00 O ATOM 1229 CB HIS A 79 -23.511 31.922 -22.281 1.00 0.00 C ATOM 1230 CG HIS A 79 -23.983 32.686 -23.474 1.00 0.00 C ATOM 1231 ND1 HIS A 79 -25.298 32.733 -23.874 1.00 0.00 N ATOM 1232 CD2 HIS A 79 -23.295 33.434 -24.362 1.00 0.00 C ATOM 1233 CE1 HIS A 79 -25.398 33.479 -24.956 1.00 0.00 C ATOM 1234 NE2 HIS A 79 -24.196 33.919 -25.274 1.00 0.00 N ATOM 0 H HIS A 79 -22.833 31.417 -19.544 1.00 0.00 H new ATOM 0 HA HIS A 79 -22.779 33.723 -21.385 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -22.594 31.392 -22.539 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -24.255 31.167 -22.026 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -22.231 33.617 -24.355 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -26.311 33.694 -25.492 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -23.974 34.521 -26.067 1.00 0.00 H new ATOM 1243 N HIS A 80 -24.968 34.389 -20.413 1.00 0.00 N ATOM 1244 CA HIS A 80 -26.203 34.819 -19.767 1.00 0.00 C ATOM 1245 C HIS A 80 -27.333 34.900 -20.783 1.00 0.00 C ATOM 1246 O HIS A 80 -27.587 36.004 -21.300 1.00 0.00 O ATOM 1247 CB HIS A 80 -26.020 36.178 -19.085 1.00 0.00 C ATOM 1248 CG HIS A 80 -25.042 36.167 -17.951 1.00 0.00 C ATOM 1249 ND1 HIS A 80 -23.700 36.426 -18.115 1.00 0.00 N ATOM 1250 CD2 HIS A 80 -25.222 35.948 -16.627 1.00 0.00 C ATOM 1251 CE1 HIS A 80 -23.097 36.367 -16.943 1.00 0.00 C ATOM 1252 NE2 HIS A 80 -23.997 36.080 -16.019 1.00 0.00 N ATOM 1253 OXT HIS A 80 -27.943 33.856 -21.078 1.00 0.00 O ATOM 0 H HIS A 80 -24.463 35.130 -20.900 1.00 0.00 H new ATOM 0 HA HIS A 80 -26.459 34.081 -19.007 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -25.690 36.904 -19.828 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -26.986 36.519 -18.714 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -26.156 35.713 -16.139 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -22.043 36.527 -16.768 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -23.813 35.974 -15.021 1.00 0.00 H new TER 1262 HIS A 80