USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 644 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0783 (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 11 HIS : no HD1:sc= -0.635 K(o=-0.63,f=-0.09) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -4.21! C(o=-4.2!,f=-7.7!) USER MOD Single : A 32 SER OG : rot 180:sc=-0.00627 USER MOD Single : A 37 TYR OH : rot 180:sc= -0.37 USER MOD Single : A 41 GLN : amide:sc= -4! K(o=-4!,f=-1.4) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -1.39 K(o=-1.4,f=-0.51) USER MOD Single : A 50 HIS : no HD1:sc= -0.247 X(o=-0.25,f=-0.076) USER MOD Single : A 51 GLN : amide:sc= -0.0575 K(o=-0.058,f=-1.5) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -171:sc= 1.02 (180deg=0.778) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc=-0.00124 K(o=-0.0012,f=-0.66) USER MOD Single : A 65 HIS : no HE2:sc= -1.78 K(o=-1.6,f=-4!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -1.12 K(o=-1.1,f=-6.2!) USER MOD Single : A 75 ASN : amide:sc= -0.327 X(o=-0.33,f=0) USER MOD Single : A 77 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00267) USER MOD Single : A 79 MET CE :methyl -175:sc= -0.5 (180deg=-0.621) USER MOD Single : A 80 ASN : amide:sc= -10.2! C(o=-10!,f=-11!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 61:sc= 0.862 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -55.628 11.938 -1.105 1.00 0.00 N ATOM 2 CA GLY A 1 -55.877 11.242 0.144 1.00 0.00 C ATOM 3 C GLY A 1 -54.744 11.412 1.137 1.00 0.00 C ATOM 4 O GLY A 1 -53.654 11.854 0.776 1.00 0.00 O ATOM 0 H1 GLY A 1 -56.295 12.730 -1.200 1.00 0.00 H new ATOM 0 H2 GLY A 1 -54.654 12.303 -1.111 1.00 0.00 H new ATOM 0 H3 GLY A 1 -55.756 11.280 -1.900 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -56.802 11.613 0.585 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -56.023 10.181 -0.058 1.00 0.00 H new ATOM 8 N SER A 2 -55.002 11.060 2.392 1.00 0.00 N ATOM 9 CA SER A 2 -53.997 11.180 3.442 1.00 0.00 C ATOM 10 C SER A 2 -53.220 9.877 3.602 1.00 0.00 C ATOM 11 O SER A 2 -53.680 8.944 4.260 1.00 0.00 O ATOM 12 CB SER A 2 -54.658 11.559 4.769 1.00 0.00 C ATOM 13 OG SER A 2 -55.288 12.826 4.681 1.00 0.00 O ATOM 0 H SER A 2 -55.899 10.689 2.707 1.00 0.00 H new ATOM 0 HA SER A 2 -53.299 11.966 3.154 1.00 0.00 H new ATOM 0 HB2 SER A 2 -55.393 10.802 5.042 1.00 0.00 H new ATOM 0 HB3 SER A 2 -53.909 11.576 5.560 1.00 0.00 H new ATOM 0 HG SER A 2 -55.704 13.045 5.541 1.00 0.00 H new ATOM 19 N SER A 3 -52.038 9.822 2.996 1.00 0.00 N ATOM 20 CA SER A 3 -51.197 8.633 3.067 1.00 0.00 C ATOM 21 C SER A 3 -50.649 8.439 4.478 1.00 0.00 C ATOM 22 O SER A 3 -50.771 7.362 5.061 1.00 0.00 O ATOM 23 CB SER A 3 -50.043 8.738 2.069 1.00 0.00 C ATOM 24 OG SER A 3 -50.429 8.265 0.790 1.00 0.00 O ATOM 0 H SER A 3 -51.641 10.587 2.450 1.00 0.00 H new ATOM 0 HA SER A 3 -51.810 7.769 2.812 1.00 0.00 H new ATOM 0 HB2 SER A 3 -49.717 9.775 1.993 1.00 0.00 H new ATOM 0 HB3 SER A 3 -49.191 8.162 2.431 1.00 0.00 H new ATOM 0 HG SER A 3 -49.674 8.345 0.170 1.00 0.00 H new ATOM 30 N GLY A 4 -50.044 9.491 5.020 1.00 0.00 N ATOM 31 CA GLY A 4 -49.485 9.417 6.358 1.00 0.00 C ATOM 32 C GLY A 4 -48.278 10.316 6.532 1.00 0.00 C ATOM 33 O GLY A 4 -48.328 11.297 7.275 1.00 0.00 O ATOM 0 H GLY A 4 -49.931 10.393 4.557 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -50.249 9.695 7.084 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -49.201 8.387 6.573 1.00 0.00 H new ATOM 37 N SER A 5 -47.188 9.982 5.849 1.00 0.00 N ATOM 38 CA SER A 5 -45.960 10.764 5.936 1.00 0.00 C ATOM 39 C SER A 5 -45.513 10.912 7.387 1.00 0.00 C ATOM 40 O SER A 5 -45.087 11.987 7.810 1.00 0.00 O ATOM 41 CB SER A 5 -46.164 12.144 5.309 1.00 0.00 C ATOM 42 OG SER A 5 -44.941 12.669 4.824 1.00 0.00 O ATOM 0 H SER A 5 -47.130 9.174 5.229 1.00 0.00 H new ATOM 0 HA SER A 5 -45.181 10.235 5.386 1.00 0.00 H new ATOM 0 HB2 SER A 5 -46.882 12.073 4.492 1.00 0.00 H new ATOM 0 HB3 SER A 5 -46.588 12.824 6.048 1.00 0.00 H new ATOM 0 HG SER A 5 -45.098 13.551 4.427 1.00 0.00 H new ATOM 48 N SER A 6 -45.615 9.825 8.146 1.00 0.00 N ATOM 49 CA SER A 6 -45.225 9.835 9.551 1.00 0.00 C ATOM 50 C SER A 6 -43.868 9.165 9.742 1.00 0.00 C ATOM 51 O SER A 6 -43.602 8.103 9.181 1.00 0.00 O ATOM 52 CB SER A 6 -46.281 9.124 10.399 1.00 0.00 C ATOM 53 OG SER A 6 -46.365 7.750 10.064 1.00 0.00 O ATOM 0 H SER A 6 -45.964 8.927 7.811 1.00 0.00 H new ATOM 0 HA SER A 6 -45.147 10.873 9.875 1.00 0.00 H new ATOM 0 HB2 SER A 6 -46.034 9.229 11.456 1.00 0.00 H new ATOM 0 HB3 SER A 6 -47.251 9.598 10.249 1.00 0.00 H new ATOM 0 HG SER A 6 -47.046 7.318 10.621 1.00 0.00 H new ATOM 59 N GLY A 7 -43.011 9.795 10.540 1.00 0.00 N ATOM 60 CA GLY A 7 -41.691 9.247 10.793 1.00 0.00 C ATOM 61 C GLY A 7 -41.697 8.203 11.892 1.00 0.00 C ATOM 62 O GLY A 7 -42.594 8.184 12.734 1.00 0.00 O ATOM 0 H GLY A 7 -43.207 10.675 11.016 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -41.304 8.803 9.876 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -41.012 10.055 11.067 1.00 0.00 H new ATOM 66 N ALA A 8 -40.694 7.331 11.884 1.00 0.00 N ATOM 67 CA ALA A 8 -40.587 6.280 12.888 1.00 0.00 C ATOM 68 C ALA A 8 -39.179 5.697 12.924 1.00 0.00 C ATOM 69 O ALA A 8 -38.385 5.905 12.005 1.00 0.00 O ATOM 70 CB ALA A 8 -41.607 5.185 12.615 1.00 0.00 C ATOM 0 H ALA A 8 -39.944 7.332 11.193 1.00 0.00 H new ATOM 0 HA ALA A 8 -40.795 6.720 13.863 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -41.516 4.406 13.372 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -42.611 5.607 12.647 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -41.425 4.756 11.630 1.00 0.00 H new ATOM 76 N LEU A 9 -38.873 4.966 13.991 1.00 0.00 N ATOM 77 CA LEU A 9 -37.559 4.353 14.147 1.00 0.00 C ATOM 78 C LEU A 9 -37.670 2.833 14.195 1.00 0.00 C ATOM 79 O LEU A 9 -36.685 2.121 13.993 1.00 0.00 O ATOM 80 CB LEU A 9 -36.883 4.866 15.420 1.00 0.00 C ATOM 81 CG LEU A 9 -35.763 3.992 15.985 1.00 0.00 C ATOM 82 CD1 LEU A 9 -34.875 4.799 16.919 1.00 0.00 C ATOM 83 CD2 LEU A 9 -36.343 2.785 16.708 1.00 0.00 C ATOM 0 H LEU A 9 -39.517 4.784 14.760 1.00 0.00 H new ATOM 0 HA LEU A 9 -36.952 4.628 13.284 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -36.476 5.857 15.217 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -37.646 4.986 16.189 1.00 0.00 H new ATOM 0 HG LEU A 9 -35.152 3.636 15.155 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -34.084 4.160 17.311 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -34.432 5.631 16.371 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -35.472 5.186 17.745 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -35.532 2.174 17.104 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -36.977 3.122 17.528 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -36.936 2.193 16.011 1.00 0.00 H new ATOM 95 N PHE A 10 -38.876 2.340 14.460 1.00 0.00 N ATOM 96 CA PHE A 10 -39.116 0.904 14.532 1.00 0.00 C ATOM 97 C PHE A 10 -39.299 0.312 13.138 1.00 0.00 C ATOM 98 O PHE A 10 -38.619 -0.644 12.763 1.00 0.00 O ATOM 99 CB PHE A 10 -40.351 0.614 15.388 1.00 0.00 C ATOM 100 CG PHE A 10 -40.160 0.932 16.843 1.00 0.00 C ATOM 101 CD1 PHE A 10 -39.775 2.201 17.244 1.00 0.00 C ATOM 102 CD2 PHE A 10 -40.366 -0.038 17.811 1.00 0.00 C ATOM 103 CE1 PHE A 10 -39.599 2.497 18.583 1.00 0.00 C ATOM 104 CE2 PHE A 10 -40.192 0.252 19.151 1.00 0.00 C ATOM 105 CZ PHE A 10 -39.807 1.521 19.537 1.00 0.00 C ATOM 0 H PHE A 10 -39.702 2.914 14.628 1.00 0.00 H new ATOM 0 HA PHE A 10 -38.245 0.438 14.993 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -41.192 1.192 15.005 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -40.615 -0.439 15.286 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -39.610 2.968 16.502 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -40.666 -1.032 17.515 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -39.299 3.490 18.882 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -40.357 -0.513 19.895 1.00 0.00 H new ATOM 0 HZ PHE A 10 -39.669 1.749 20.583 1.00 0.00 H new ATOM 115 N HIS A 11 -40.222 0.887 12.374 1.00 0.00 N ATOM 116 CA HIS A 11 -40.495 0.417 11.020 1.00 0.00 C ATOM 117 C HIS A 11 -39.206 0.002 10.319 1.00 0.00 C ATOM 118 O HIS A 11 -39.218 -0.846 9.426 1.00 0.00 O ATOM 119 CB HIS A 11 -41.201 1.507 10.213 1.00 0.00 C ATOM 120 CG HIS A 11 -40.275 2.565 9.697 1.00 0.00 C ATOM 121 ND1 HIS A 11 -40.062 2.789 8.353 1.00 0.00 N ATOM 122 CD2 HIS A 11 -39.504 3.464 10.353 1.00 0.00 C ATOM 123 CE1 HIS A 11 -39.200 3.779 8.205 1.00 0.00 C ATOM 124 NE2 HIS A 11 -38.846 4.206 9.404 1.00 0.00 N ATOM 0 H HIS A 11 -40.793 1.679 12.669 1.00 0.00 H new ATOM 0 HA HIS A 11 -41.147 -0.454 11.088 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -41.719 1.047 9.371 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -41.962 1.975 10.838 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -39.422 3.576 11.424 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -38.845 4.172 7.264 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -38.190 4.964 9.594 1.00 0.00 H new ATOM 132 N LYS A 12 -38.095 0.604 10.728 1.00 0.00 N ATOM 133 CA LYS A 12 -36.796 0.298 10.140 1.00 0.00 C ATOM 134 C LYS A 12 -35.674 0.982 10.913 1.00 0.00 C ATOM 135 O LYS A 12 -35.475 2.192 10.799 1.00 0.00 O ATOM 136 CB LYS A 12 -36.761 0.735 8.674 1.00 0.00 C ATOM 137 CG LYS A 12 -35.640 0.094 7.875 1.00 0.00 C ATOM 138 CD LYS A 12 -35.511 0.717 6.495 1.00 0.00 C ATOM 139 CE LYS A 12 -36.655 0.298 5.585 1.00 0.00 C ATOM 140 NZ LYS A 12 -36.380 0.629 4.160 1.00 0.00 N ATOM 0 H LYS A 12 -38.068 1.308 11.466 1.00 0.00 H new ATOM 0 HA LYS A 12 -36.645 -0.780 10.195 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -37.715 0.489 8.207 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -36.654 1.819 8.629 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -34.699 0.204 8.414 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -35.828 -0.975 7.776 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -35.496 1.803 6.585 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -34.562 0.421 6.048 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -36.823 -0.775 5.683 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -37.572 0.794 5.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -37.183 0.328 3.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -36.245 1.656 4.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -35.519 0.135 3.849 1.00 0.00 H new ATOM 154 N LYS A 13 -34.940 0.201 11.699 1.00 0.00 N ATOM 155 CA LYS A 13 -33.835 0.731 12.489 1.00 0.00 C ATOM 156 C LYS A 13 -32.586 0.902 11.631 1.00 0.00 C ATOM 157 O LYS A 13 -32.605 0.636 10.428 1.00 0.00 O ATOM 158 CB LYS A 13 -33.534 -0.196 13.669 1.00 0.00 C ATOM 159 CG LYS A 13 -34.231 0.211 14.955 1.00 0.00 C ATOM 160 CD LYS A 13 -34.642 -1.001 15.775 1.00 0.00 C ATOM 161 CE LYS A 13 -34.839 -0.643 17.240 1.00 0.00 C ATOM 162 NZ LYS A 13 -34.545 -1.795 18.137 1.00 0.00 N ATOM 0 H LYS A 13 -35.091 -0.802 11.806 1.00 0.00 H new ATOM 0 HA LYS A 13 -34.129 1.709 12.870 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -33.834 -1.211 13.409 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -32.458 -0.216 13.839 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -33.567 0.843 15.545 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -35.112 0.808 14.719 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -35.566 -1.417 15.374 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -33.880 -1.776 15.688 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -34.191 0.194 17.500 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -35.866 -0.312 17.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -34.691 -1.511 19.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -35.180 -2.585 17.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -33.558 -2.095 18.005 1.00 0.00 H new ATOM 176 N LEU A 14 -31.501 1.345 12.256 1.00 0.00 N ATOM 177 CA LEU A 14 -30.241 1.549 11.549 1.00 0.00 C ATOM 178 C LEU A 14 -29.649 0.219 11.096 1.00 0.00 C ATOM 179 O LEU A 14 -29.899 -0.824 11.701 1.00 0.00 O ATOM 180 CB LEU A 14 -29.244 2.284 12.447 1.00 0.00 C ATOM 181 CG LEU A 14 -29.454 3.792 12.589 1.00 0.00 C ATOM 182 CD1 LEU A 14 -30.368 4.095 13.766 1.00 0.00 C ATOM 183 CD2 LEU A 14 -28.119 4.504 12.751 1.00 0.00 C ATOM 0 H LEU A 14 -31.468 1.570 13.250 1.00 0.00 H new ATOM 0 HA LEU A 14 -30.442 2.155 10.666 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -29.282 1.837 13.440 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -28.240 2.112 12.058 1.00 0.00 H new ATOM 0 HG LEU A 14 -29.931 4.160 11.681 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -30.506 5.173 13.852 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -31.335 3.617 13.608 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -29.919 3.713 14.683 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -28.288 5.576 12.851 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -27.614 4.132 13.642 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -27.497 4.315 11.876 1.00 0.00 H new ATOM 195 N THR A 15 -28.860 0.261 10.026 1.00 0.00 N ATOM 196 CA THR A 15 -28.231 -0.940 9.492 1.00 0.00 C ATOM 197 C THR A 15 -27.261 -1.547 10.499 1.00 0.00 C ATOM 198 O THR A 15 -26.394 -0.856 11.032 1.00 0.00 O ATOM 199 CB THR A 15 -27.476 -0.643 8.183 1.00 0.00 C ATOM 200 OG1 THR A 15 -26.897 -1.847 7.668 1.00 0.00 O ATOM 201 CG2 THR A 15 -26.385 0.393 8.410 1.00 0.00 C ATOM 0 H THR A 15 -28.642 1.115 9.512 1.00 0.00 H new ATOM 0 HA THR A 15 -29.031 -1.652 9.288 1.00 0.00 H new ATOM 0 HB THR A 15 -28.189 -0.245 7.461 1.00 0.00 H new ATOM 0 HG1 THR A 15 -26.420 -1.650 6.835 1.00 0.00 H new ATOM 0 HG21 THR A 15 -25.866 0.586 7.471 1.00 0.00 H new ATOM 0 HG22 THR A 15 -26.832 1.318 8.775 1.00 0.00 H new ATOM 0 HG23 THR A 15 -25.675 0.018 9.147 1.00 0.00 H new ATOM 209 N GLU A 16 -27.414 -2.843 10.753 1.00 0.00 N ATOM 210 CA GLU A 16 -26.550 -3.543 11.697 1.00 0.00 C ATOM 211 C GLU A 16 -25.699 -4.590 10.983 1.00 0.00 C ATOM 212 O GLU A 16 -25.891 -4.858 9.798 1.00 0.00 O ATOM 213 CB GLU A 16 -27.386 -4.209 12.791 1.00 0.00 C ATOM 214 CG GLU A 16 -28.195 -3.226 13.622 1.00 0.00 C ATOM 215 CD GLU A 16 -27.380 -2.026 14.062 1.00 0.00 C ATOM 216 OE1 GLU A 16 -26.312 -2.226 14.677 1.00 0.00 O ATOM 217 OE2 GLU A 16 -27.811 -0.885 13.792 1.00 0.00 O ATOM 0 H GLU A 16 -28.127 -3.429 10.319 1.00 0.00 H new ATOM 0 HA GLU A 16 -25.885 -2.810 12.154 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -28.064 -4.928 12.331 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -26.725 -4.771 13.450 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -29.053 -2.885 13.042 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -28.588 -3.736 14.502 1.00 0.00 H new ATOM 224 N GLY A 17 -24.757 -5.177 11.715 1.00 0.00 N ATOM 225 CA GLY A 17 -23.891 -6.187 11.136 1.00 0.00 C ATOM 226 C GLY A 17 -23.310 -5.758 9.803 1.00 0.00 C ATOM 227 O GLY A 17 -23.267 -6.542 8.855 1.00 0.00 O ATOM 0 H GLY A 17 -24.578 -4.971 12.698 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -23.079 -6.406 11.829 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -24.454 -7.111 11.003 1.00 0.00 H new ATOM 231 N VAL A 18 -22.863 -4.509 9.729 1.00 0.00 N ATOM 232 CA VAL A 18 -22.282 -3.976 8.503 1.00 0.00 C ATOM 233 C VAL A 18 -20.894 -3.399 8.757 1.00 0.00 C ATOM 234 O VAL A 18 -20.740 -2.427 9.498 1.00 0.00 O ATOM 235 CB VAL A 18 -23.175 -2.883 7.887 1.00 0.00 C ATOM 236 CG1 VAL A 18 -23.553 -1.848 8.936 1.00 0.00 C ATOM 237 CG2 VAL A 18 -22.476 -2.226 6.706 1.00 0.00 C ATOM 0 H VAL A 18 -22.892 -3.847 10.504 1.00 0.00 H new ATOM 0 HA VAL A 18 -22.204 -4.808 7.803 1.00 0.00 H new ATOM 0 HB VAL A 18 -24.091 -3.349 7.524 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -24.184 -1.084 8.482 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -24.097 -2.333 9.747 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -22.649 -1.384 9.332 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -23.122 -1.456 6.283 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -21.543 -1.773 7.041 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -22.262 -2.977 5.946 1.00 0.00 H new ATOM 247 N LEU A 19 -19.885 -4.002 8.138 1.00 0.00 N ATOM 248 CA LEU A 19 -18.508 -3.548 8.297 1.00 0.00 C ATOM 249 C LEU A 19 -17.901 -3.169 6.950 1.00 0.00 C ATOM 250 O LEU A 19 -17.100 -3.915 6.387 1.00 0.00 O ATOM 251 CB LEU A 19 -17.664 -4.638 8.961 1.00 0.00 C ATOM 252 CG LEU A 19 -17.878 -4.831 10.462 1.00 0.00 C ATOM 253 CD1 LEU A 19 -19.120 -5.670 10.722 1.00 0.00 C ATOM 254 CD2 LEU A 19 -16.655 -5.476 11.097 1.00 0.00 C ATOM 0 H LEU A 19 -19.995 -4.807 7.521 1.00 0.00 H new ATOM 0 HA LEU A 19 -18.514 -2.663 8.934 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -17.870 -5.584 8.460 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -16.612 -4.409 8.791 1.00 0.00 H new ATOM 0 HG LEU A 19 -18.025 -3.851 10.916 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -19.255 -5.796 11.796 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -19.992 -5.168 10.303 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -19.003 -6.647 10.254 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.826 -5.606 12.166 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -16.477 -6.448 10.638 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -15.785 -4.837 10.943 1.00 0.00 H new ATOM 266 N MET A 20 -18.287 -2.004 6.439 1.00 0.00 N ATOM 267 CA MET A 20 -17.778 -1.525 5.160 1.00 0.00 C ATOM 268 C MET A 20 -16.319 -1.096 5.282 1.00 0.00 C ATOM 269 O MET A 20 -15.801 -0.933 6.386 1.00 0.00 O ATOM 270 CB MET A 20 -18.625 -0.355 4.655 1.00 0.00 C ATOM 271 CG MET A 20 -18.523 0.888 5.523 1.00 0.00 C ATOM 272 SD MET A 20 -19.772 0.935 6.822 1.00 0.00 S ATOM 273 CE MET A 20 -21.057 1.893 6.021 1.00 0.00 C ATOM 0 H MET A 20 -18.950 -1.375 6.891 1.00 0.00 H new ATOM 0 HA MET A 20 -17.839 -2.344 4.443 1.00 0.00 H new ATOM 0 HB2 MET A 20 -18.317 -0.105 3.640 1.00 0.00 H new ATOM 0 HB3 MET A 20 -19.668 -0.668 4.604 1.00 0.00 H new ATOM 0 HG2 MET A 20 -17.532 0.930 5.976 1.00 0.00 H new ATOM 0 HG3 MET A 20 -18.624 1.773 4.895 1.00 0.00 H new ATOM 0 HE1 MET A 20 -21.901 2.009 6.701 1.00 0.00 H new ATOM 0 HE2 MET A 20 -20.667 2.876 5.756 1.00 0.00 H new ATOM 0 HE3 MET A 20 -21.386 1.378 5.119 1.00 0.00 H new ATOM 283 N ARG A 21 -15.663 -0.914 4.140 1.00 0.00 N ATOM 284 CA ARG A 21 -14.264 -0.506 4.120 1.00 0.00 C ATOM 285 C ARG A 21 -13.985 0.419 2.939 1.00 0.00 C ATOM 286 O ARG A 21 -14.435 0.168 1.821 1.00 0.00 O ATOM 287 CB ARG A 21 -13.353 -1.733 4.047 1.00 0.00 C ATOM 288 CG ARG A 21 -11.875 -1.403 4.185 1.00 0.00 C ATOM 289 CD ARG A 21 -11.008 -2.418 3.456 1.00 0.00 C ATOM 290 NE ARG A 21 -10.750 -2.024 2.073 1.00 0.00 N ATOM 291 CZ ARG A 21 -10.448 -2.885 1.108 1.00 0.00 C ATOM 292 NH1 ARG A 21 -10.367 -4.181 1.373 1.00 0.00 N ATOM 293 NH2 ARG A 21 -10.227 -2.450 -0.126 1.00 0.00 N ATOM 0 H ARG A 21 -16.078 -1.043 3.217 1.00 0.00 H new ATOM 0 HA ARG A 21 -14.057 0.037 5.042 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.636 -2.432 4.834 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.516 -2.240 3.096 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -11.685 -0.407 3.786 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -11.603 -1.381 5.240 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.061 -2.531 3.983 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.499 -3.391 3.470 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.805 -1.034 1.836 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.537 -4.519 2.320 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.135 -4.840 0.630 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.289 -1.453 -0.334 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.995 -3.112 -0.866 1.00 0.00 H new ATOM 307 N ASP A 22 -13.240 1.489 3.195 1.00 0.00 N ATOM 308 CA ASP A 22 -12.900 2.451 2.153 1.00 0.00 C ATOM 309 C ASP A 22 -11.901 1.854 1.167 1.00 0.00 C ATOM 310 O ASP A 22 -11.085 1.000 1.513 1.00 0.00 O ATOM 311 CB ASP A 22 -12.325 3.725 2.774 1.00 0.00 C ATOM 312 CG ASP A 22 -13.211 4.288 3.867 1.00 0.00 C ATOM 313 OD1 ASP A 22 -14.383 4.608 3.575 1.00 0.00 O ATOM 314 OD2 ASP A 22 -12.734 4.408 5.014 1.00 0.00 O ATOM 0 H ASP A 22 -12.860 1.712 4.115 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.812 2.700 1.611 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.338 3.512 3.184 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.191 4.476 1.996 1.00 0.00 H new ATOM 319 N PRO A 23 -11.965 2.313 -0.092 1.00 0.00 N ATOM 320 CA PRO A 23 -11.073 1.838 -1.154 1.00 0.00 C ATOM 321 C PRO A 23 -9.634 2.302 -0.954 1.00 0.00 C ATOM 322 O PRO A 23 -8.840 1.632 -0.294 1.00 0.00 O ATOM 323 CB PRO A 23 -11.665 2.462 -2.420 1.00 0.00 C ATOM 324 CG PRO A 23 -12.388 3.674 -1.942 1.00 0.00 C ATOM 325 CD PRO A 23 -12.912 3.331 -0.575 1.00 0.00 C ATOM 0 HA PRO A 23 -11.019 0.750 -1.184 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -10.885 2.723 -3.135 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -12.341 1.771 -2.924 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.721 4.535 -1.900 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -13.202 3.935 -2.618 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.932 4.203 0.078 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -13.930 2.944 -0.620 1.00 0.00 H new ATOM 333 N LYS A 24 -9.305 3.455 -1.527 1.00 0.00 N ATOM 334 CA LYS A 24 -7.962 4.011 -1.411 1.00 0.00 C ATOM 335 C LYS A 24 -8.010 5.532 -1.306 1.00 0.00 C ATOM 336 O LYS A 24 -8.305 6.222 -2.281 1.00 0.00 O ATOM 337 CB LYS A 24 -7.111 3.599 -2.615 1.00 0.00 C ATOM 338 CG LYS A 24 -6.268 2.360 -2.369 1.00 0.00 C ATOM 339 CD LYS A 24 -4.866 2.722 -1.909 1.00 0.00 C ATOM 340 CE LYS A 24 -4.886 3.443 -0.570 1.00 0.00 C ATOM 341 NZ LYS A 24 -3.605 3.274 0.170 1.00 0.00 N ATOM 0 H LYS A 24 -9.950 4.023 -2.076 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.510 3.616 -0.502 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.766 3.419 -3.468 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.455 4.426 -2.886 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.749 1.735 -1.616 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.211 1.770 -3.284 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.264 1.817 -1.827 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.389 3.355 -2.657 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.075 4.504 -0.732 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.708 3.062 0.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.659 3.780 1.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.437 2.263 0.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.823 3.661 -0.396 1.00 0.00 H new ATOM 355 N PHE A 25 -7.717 6.048 -0.117 1.00 0.00 N ATOM 356 CA PHE A 25 -7.726 7.487 0.115 1.00 0.00 C ATOM 357 C PHE A 25 -6.304 8.038 0.173 1.00 0.00 C ATOM 358 O PHE A 25 -5.633 7.949 1.201 1.00 0.00 O ATOM 359 CB PHE A 25 -8.463 7.810 1.417 1.00 0.00 C ATOM 360 CG PHE A 25 -8.667 9.282 1.641 1.00 0.00 C ATOM 361 CD1 PHE A 25 -9.555 9.999 0.856 1.00 0.00 C ATOM 362 CD2 PHE A 25 -7.969 9.947 2.636 1.00 0.00 C ATOM 363 CE1 PHE A 25 -9.745 11.353 1.060 1.00 0.00 C ATOM 364 CE2 PHE A 25 -8.155 11.301 2.845 1.00 0.00 C ATOM 365 CZ PHE A 25 -9.043 12.005 2.055 1.00 0.00 C ATOM 0 H PHE A 25 -7.470 5.491 0.701 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.247 7.961 -0.717 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -9.434 7.314 1.409 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.901 7.397 2.255 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -10.105 9.494 0.076 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -7.272 9.402 3.255 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -10.441 11.900 0.442 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.607 11.808 3.625 1.00 0.00 H new ATOM 0 HZ PHE A 25 -9.188 13.063 2.215 1.00 0.00 H new ATOM 375 N LEU A 26 -5.852 8.607 -0.939 1.00 0.00 N ATOM 376 CA LEU A 26 -4.510 9.173 -1.017 1.00 0.00 C ATOM 377 C LEU A 26 -4.558 10.697 -0.979 1.00 0.00 C ATOM 378 O LEU A 26 -5.288 11.324 -1.747 1.00 0.00 O ATOM 379 CB LEU A 26 -3.811 8.706 -2.295 1.00 0.00 C ATOM 380 CG LEU A 26 -4.011 9.586 -3.530 1.00 0.00 C ATOM 381 CD1 LEU A 26 -3.252 10.895 -3.380 1.00 0.00 C ATOM 382 CD2 LEU A 26 -3.567 8.851 -4.786 1.00 0.00 C ATOM 0 H LEU A 26 -6.395 8.689 -1.799 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.945 8.824 -0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.742 8.633 -2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.160 7.701 -2.530 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.073 9.814 -3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.406 11.508 -4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.617 11.429 -2.502 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.188 10.687 -3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.716 9.492 -5.655 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.511 8.593 -4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.155 7.940 -4.902 1.00 0.00 H new ATOM 394 N TRP A 27 -3.775 11.286 -0.083 1.00 0.00 N ATOM 395 CA TRP A 27 -3.727 12.738 0.054 1.00 0.00 C ATOM 396 C TRP A 27 -2.339 13.198 0.486 1.00 0.00 C ATOM 397 O TRP A 27 -1.507 12.391 0.900 1.00 0.00 O ATOM 398 CB TRP A 27 -4.773 13.211 1.065 1.00 0.00 C ATOM 399 CG TRP A 27 -4.549 12.672 2.446 1.00 0.00 C ATOM 400 CD1 TRP A 27 -3.583 11.789 2.835 1.00 0.00 C ATOM 401 CD2 TRP A 27 -5.310 12.981 3.619 1.00 0.00 C ATOM 402 NE1 TRP A 27 -3.697 11.530 4.180 1.00 0.00 N ATOM 403 CE2 TRP A 27 -4.748 12.250 4.684 1.00 0.00 C ATOM 404 CE3 TRP A 27 -6.409 13.805 3.874 1.00 0.00 C ATOM 405 CZ2 TRP A 27 -5.250 12.319 5.981 1.00 0.00 C ATOM 406 CZ3 TRP A 27 -6.906 13.872 5.162 1.00 0.00 C ATOM 407 CH2 TRP A 27 -6.327 13.134 6.202 1.00 0.00 C ATOM 0 H TRP A 27 -3.165 10.781 0.560 1.00 0.00 H new ATOM 0 HA TRP A 27 -3.948 13.177 -0.919 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.766 14.300 1.102 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -5.763 12.910 0.721 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -2.839 11.358 2.182 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -3.097 10.903 4.716 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -6.862 14.379 3.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -4.805 11.750 6.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -7.756 14.505 5.370 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.738 13.210 7.198 1.00 0.00 H new ATOM 418 N CYS A 28 -2.096 14.501 0.388 1.00 0.00 N ATOM 419 CA CYS A 28 -0.808 15.070 0.769 1.00 0.00 C ATOM 420 C CYS A 28 -0.635 15.057 2.285 1.00 0.00 C ATOM 421 O CYS A 28 -1.587 15.284 3.031 1.00 0.00 O ATOM 422 CB CYS A 28 -0.683 16.501 0.242 1.00 0.00 C ATOM 423 SG CYS A 28 -1.271 16.718 -1.468 1.00 0.00 S ATOM 0 H CYS A 28 -2.774 15.183 0.048 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.023 14.457 0.326 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.245 17.168 0.896 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.362 16.807 0.297 1.00 0.00 H new ATOM 428 N ALA A 29 0.587 14.789 2.733 1.00 0.00 N ATOM 429 CA ALA A 29 0.887 14.749 4.159 1.00 0.00 C ATOM 430 C ALA A 29 1.121 16.151 4.710 1.00 0.00 C ATOM 431 O ALA A 29 1.841 16.329 5.692 1.00 0.00 O ATOM 432 CB ALA A 29 2.099 13.868 4.419 1.00 0.00 C ATOM 0 H ALA A 29 1.386 14.596 2.129 1.00 0.00 H new ATOM 0 HA ALA A 29 0.026 14.324 4.674 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.311 13.848 5.488 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.895 12.856 4.070 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.961 14.268 3.885 1.00 0.00 H new ATOM 438 N GLN A 30 0.509 17.143 4.072 1.00 0.00 N ATOM 439 CA GLN A 30 0.653 18.530 4.499 1.00 0.00 C ATOM 440 C GLN A 30 -0.700 19.231 4.539 1.00 0.00 C ATOM 441 O GLN A 30 -1.123 19.729 5.582 1.00 0.00 O ATOM 442 CB GLN A 30 1.602 19.279 3.561 1.00 0.00 C ATOM 443 CG GLN A 30 3.038 18.785 3.627 1.00 0.00 C ATOM 444 CD GLN A 30 3.219 17.426 2.980 1.00 0.00 C ATOM 445 OE1 GLN A 30 3.565 16.450 3.646 1.00 0.00 O ATOM 446 NE2 GLN A 30 2.984 17.355 1.675 1.00 0.00 N ATOM 0 H GLN A 30 -0.091 17.012 3.258 1.00 0.00 H new ATOM 0 HA GLN A 30 1.072 18.532 5.505 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.240 19.182 2.538 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.580 20.341 3.807 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.689 19.507 3.135 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.352 18.731 4.669 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.699 18.189 1.162 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.088 16.466 1.186 1.00 0.00 H new ATOM 455 N CYS A 31 -1.376 19.267 3.395 1.00 0.00 N ATOM 456 CA CYS A 31 -2.682 19.908 3.298 1.00 0.00 C ATOM 457 C CYS A 31 -3.753 19.067 3.986 1.00 0.00 C ATOM 458 O CYS A 31 -4.740 19.597 4.497 1.00 0.00 O ATOM 459 CB CYS A 31 -3.057 20.129 1.831 1.00 0.00 C ATOM 460 SG CYS A 31 -3.422 18.596 0.917 1.00 0.00 S ATOM 0 H CYS A 31 -1.041 18.860 2.522 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.623 20.873 3.801 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.928 20.783 1.784 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.240 20.650 1.333 1.00 0.00 H new ATOM 465 N SER A 32 -3.551 17.753 3.996 1.00 0.00 N ATOM 466 CA SER A 32 -4.500 16.838 4.619 1.00 0.00 C ATOM 467 C SER A 32 -5.761 16.703 3.770 1.00 0.00 C ATOM 468 O SER A 32 -6.870 16.606 4.295 1.00 0.00 O ATOM 469 CB SER A 32 -4.867 17.327 6.022 1.00 0.00 C ATOM 470 OG SER A 32 -3.716 17.756 6.729 1.00 0.00 O ATOM 0 H SER A 32 -2.738 17.298 3.580 1.00 0.00 H new ATOM 0 HA SER A 32 -4.027 15.859 4.695 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.580 18.148 5.950 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.359 16.525 6.573 1.00 0.00 H new ATOM 0 HG SER A 32 -3.977 18.065 7.622 1.00 0.00 H new ATOM 476 N PHE A 33 -5.582 16.698 2.453 1.00 0.00 N ATOM 477 CA PHE A 33 -6.704 16.576 1.529 1.00 0.00 C ATOM 478 C PHE A 33 -6.260 15.937 0.217 1.00 0.00 C ATOM 479 O PHE A 33 -5.302 16.384 -0.411 1.00 0.00 O ATOM 480 CB PHE A 33 -7.321 17.949 1.258 1.00 0.00 C ATOM 481 CG PHE A 33 -8.518 17.901 0.354 1.00 0.00 C ATOM 482 CD1 PHE A 33 -9.777 17.625 0.863 1.00 0.00 C ATOM 483 CD2 PHE A 33 -8.386 18.131 -1.006 1.00 0.00 C ATOM 484 CE1 PHE A 33 -10.881 17.579 0.033 1.00 0.00 C ATOM 485 CE2 PHE A 33 -9.486 18.086 -1.842 1.00 0.00 C ATOM 486 CZ PHE A 33 -10.736 17.811 -1.321 1.00 0.00 C ATOM 0 H PHE A 33 -4.671 16.777 2.002 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.454 15.934 1.990 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -7.610 18.402 2.206 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.565 18.596 0.813 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -9.897 17.444 1.921 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.412 18.348 -1.418 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -11.856 17.362 0.443 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -9.369 18.265 -2.901 1.00 0.00 H new ATOM 0 HZ PHE A 33 -11.598 17.778 -1.971 1.00 0.00 H new ATOM 496 N GLY A 34 -6.966 14.886 -0.192 1.00 0.00 N ATOM 497 CA GLY A 34 -6.630 14.202 -1.426 1.00 0.00 C ATOM 498 C GLY A 34 -7.857 13.711 -2.169 1.00 0.00 C ATOM 499 O GLY A 34 -8.783 14.480 -2.429 1.00 0.00 O ATOM 0 H GLY A 34 -7.764 14.497 0.310 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.065 14.876 -2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.981 13.355 -1.203 1.00 0.00 H new ATOM 503 N PHE A 35 -7.864 12.428 -2.514 1.00 0.00 N ATOM 504 CA PHE A 35 -8.985 11.836 -3.235 1.00 0.00 C ATOM 505 C PHE A 35 -8.786 10.334 -3.412 1.00 0.00 C ATOM 506 O PHE A 35 -7.827 9.759 -2.895 1.00 0.00 O ATOM 507 CB PHE A 35 -9.151 12.504 -4.601 1.00 0.00 C ATOM 508 CG PHE A 35 -7.855 12.704 -5.332 1.00 0.00 C ATOM 509 CD1 PHE A 35 -6.804 11.816 -5.162 1.00 0.00 C ATOM 510 CD2 PHE A 35 -7.686 13.779 -6.189 1.00 0.00 C ATOM 511 CE1 PHE A 35 -5.610 11.999 -5.833 1.00 0.00 C ATOM 512 CE2 PHE A 35 -6.494 13.966 -6.864 1.00 0.00 C ATOM 513 CZ PHE A 35 -5.455 13.074 -6.686 1.00 0.00 C ATOM 0 H PHE A 35 -7.106 11.778 -2.306 1.00 0.00 H new ATOM 0 HA PHE A 35 -9.888 11.998 -2.647 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -9.815 11.896 -5.215 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -9.636 13.471 -4.467 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -6.920 10.972 -4.498 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -8.495 14.480 -6.332 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.798 11.301 -5.690 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.376 14.808 -7.529 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.523 13.217 -7.213 1.00 0.00 H new ATOM 523 N ILE A 36 -9.698 9.704 -4.145 1.00 0.00 N ATOM 524 CA ILE A 36 -9.622 8.270 -4.391 1.00 0.00 C ATOM 525 C ILE A 36 -8.957 7.976 -5.732 1.00 0.00 C ATOM 526 O ILE A 36 -9.244 8.630 -6.735 1.00 0.00 O ATOM 527 CB ILE A 36 -11.018 7.620 -4.370 1.00 0.00 C ATOM 528 CG1 ILE A 36 -11.743 7.960 -3.066 1.00 0.00 C ATOM 529 CG2 ILE A 36 -10.904 6.113 -4.542 1.00 0.00 C ATOM 530 CD1 ILE A 36 -11.073 7.388 -1.836 1.00 0.00 C ATOM 0 H ILE A 36 -10.498 10.165 -4.579 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.020 7.844 -3.588 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.600 8.017 -5.202 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.805 9.044 -2.966 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -12.766 7.586 -3.120 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -11.899 5.669 -4.525 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.424 5.891 -5.495 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.307 5.698 -3.730 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.641 7.668 -0.949 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.035 6.301 -1.914 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.060 7.781 -1.758 1.00 0.00 H new ATOM 542 N TYR A 37 -8.070 6.987 -5.742 1.00 0.00 N ATOM 543 CA TYR A 37 -7.364 6.607 -6.960 1.00 0.00 C ATOM 544 C TYR A 37 -7.344 5.090 -7.126 1.00 0.00 C ATOM 545 O TYR A 37 -7.518 4.574 -8.230 1.00 0.00 O ATOM 546 CB TYR A 37 -5.934 7.148 -6.935 1.00 0.00 C ATOM 547 CG TYR A 37 -4.999 6.349 -6.054 1.00 0.00 C ATOM 548 CD1 TYR A 37 -5.263 6.182 -4.700 1.00 0.00 C ATOM 549 CD2 TYR A 37 -3.853 5.763 -6.576 1.00 0.00 C ATOM 550 CE1 TYR A 37 -4.412 5.454 -3.892 1.00 0.00 C ATOM 551 CE2 TYR A 37 -2.997 5.032 -5.775 1.00 0.00 C ATOM 552 CZ TYR A 37 -3.281 4.880 -4.434 1.00 0.00 C ATOM 553 OH TYR A 37 -2.430 4.154 -3.632 1.00 0.00 O ATOM 0 H TYR A 37 -7.823 6.434 -4.921 1.00 0.00 H new ATOM 0 HA TYR A 37 -7.894 7.040 -7.808 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.541 7.159 -7.952 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.951 8.181 -6.589 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.148 6.629 -4.272 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.627 5.881 -7.626 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.631 5.335 -2.841 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -2.110 4.582 -6.197 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.683 3.817 -4.169 1.00 0.00 H new ATOM 563 N GLU A 38 -7.129 4.383 -6.021 1.00 0.00 N ATOM 564 CA GLU A 38 -7.085 2.926 -6.044 1.00 0.00 C ATOM 565 C GLU A 38 -6.228 2.425 -7.203 1.00 0.00 C ATOM 566 O GLU A 38 -6.624 1.519 -7.936 1.00 0.00 O ATOM 567 CB GLU A 38 -8.500 2.353 -6.157 1.00 0.00 C ATOM 568 CG GLU A 38 -9.438 2.828 -5.061 1.00 0.00 C ATOM 569 CD GLU A 38 -10.899 2.691 -5.444 1.00 0.00 C ATOM 570 OE1 GLU A 38 -11.469 1.601 -5.231 1.00 0.00 O ATOM 571 OE2 GLU A 38 -11.472 3.676 -5.957 1.00 0.00 O ATOM 0 H GLU A 38 -6.983 4.795 -5.100 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.636 2.587 -5.110 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.918 2.628 -7.126 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.445 1.265 -6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.249 2.256 -4.153 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.223 3.871 -4.831 1.00 0.00 H new ATOM 578 N ARG A 39 -5.052 3.023 -7.362 1.00 0.00 N ATOM 579 CA ARG A 39 -4.139 2.640 -8.432 1.00 0.00 C ATOM 580 C ARG A 39 -2.790 2.204 -7.867 1.00 0.00 C ATOM 581 O ARG A 39 -2.469 2.491 -6.714 1.00 0.00 O ATOM 582 CB ARG A 39 -3.943 3.804 -9.406 1.00 0.00 C ATOM 583 CG ARG A 39 -3.550 3.366 -10.807 1.00 0.00 C ATOM 584 CD ARG A 39 -4.655 2.559 -11.469 1.00 0.00 C ATOM 585 NE ARG A 39 -4.364 2.280 -12.873 1.00 0.00 N ATOM 586 CZ ARG A 39 -5.299 2.013 -13.778 1.00 0.00 C ATOM 587 NH1 ARG A 39 -6.578 1.989 -13.428 1.00 0.00 N ATOM 588 NH2 ARG A 39 -4.956 1.771 -15.037 1.00 0.00 N ATOM 0 H ARG A 39 -4.709 3.774 -6.764 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.579 1.798 -8.966 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.866 4.381 -9.460 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.174 4.470 -9.013 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.325 4.243 -11.414 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.640 2.769 -10.761 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.788 1.619 -10.933 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.596 3.104 -11.395 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.390 2.291 -13.175 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.846 2.176 -12.462 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.294 1.784 -14.125 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.974 1.790 -15.311 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.675 1.566 -15.731 1.00 0.00 H new ATOM 602 N GLU A 40 -2.007 1.510 -8.686 1.00 0.00 N ATOM 603 CA GLU A 40 -0.694 1.034 -8.266 1.00 0.00 C ATOM 604 C GLU A 40 0.386 2.064 -8.584 1.00 0.00 C ATOM 605 O GLU A 40 1.405 2.141 -7.898 1.00 0.00 O ATOM 606 CB GLU A 40 -0.365 -0.294 -8.951 1.00 0.00 C ATOM 607 CG GLU A 40 -1.327 -1.416 -8.599 1.00 0.00 C ATOM 608 CD GLU A 40 -0.698 -2.789 -8.734 1.00 0.00 C ATOM 609 OE1 GLU A 40 0.437 -2.971 -8.244 1.00 0.00 O ATOM 610 OE2 GLU A 40 -1.338 -3.680 -9.328 1.00 0.00 O ATOM 0 H GLU A 40 -2.258 1.265 -9.644 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.720 0.881 -7.187 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.371 -0.147 -10.031 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.646 -0.594 -8.676 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.678 -1.281 -7.576 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.202 -1.356 -9.247 1.00 0.00 H new ATOM 617 N GLN A 41 0.154 2.853 -9.628 1.00 0.00 N ATOM 618 CA GLN A 41 1.107 3.877 -10.037 1.00 0.00 C ATOM 619 C GLN A 41 1.543 4.723 -8.845 1.00 0.00 C ATOM 620 O GLN A 41 1.033 4.560 -7.736 1.00 0.00 O ATOM 621 CB GLN A 41 0.494 4.773 -11.116 1.00 0.00 C ATOM 622 CG GLN A 41 -0.877 5.316 -10.748 1.00 0.00 C ATOM 623 CD GLN A 41 -0.807 6.673 -10.077 1.00 0.00 C ATOM 624 OE1 GLN A 41 -1.004 7.706 -10.718 1.00 0.00 O ATOM 625 NE2 GLN A 41 -0.524 6.679 -8.780 1.00 0.00 N ATOM 0 H GLN A 41 -0.685 2.803 -10.206 1.00 0.00 H new ATOM 0 HA GLN A 41 1.985 3.377 -10.445 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.167 5.609 -11.308 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.415 4.207 -12.044 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.487 5.391 -11.648 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.376 4.611 -10.083 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.368 5.799 -8.288 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.463 7.563 -8.275 1.00 0.00 H new ATOM 634 N LEU A 42 2.489 5.625 -9.081 1.00 0.00 N ATOM 635 CA LEU A 42 2.994 6.497 -8.026 1.00 0.00 C ATOM 636 C LEU A 42 2.940 7.960 -8.456 1.00 0.00 C ATOM 637 O LEU A 42 3.663 8.800 -7.921 1.00 0.00 O ATOM 638 CB LEU A 42 4.430 6.113 -7.664 1.00 0.00 C ATOM 639 CG LEU A 42 4.588 4.917 -6.725 1.00 0.00 C ATOM 640 CD1 LEU A 42 5.956 4.275 -6.902 1.00 0.00 C ATOM 641 CD2 LEU A 42 4.381 5.343 -5.279 1.00 0.00 C ATOM 0 H LEU A 42 2.922 5.772 -9.993 1.00 0.00 H new ATOM 0 HA LEU A 42 2.358 6.371 -7.149 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.971 5.900 -8.586 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.911 6.976 -7.204 1.00 0.00 H new ATOM 0 HG LEU A 42 3.827 4.179 -6.978 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.050 3.426 -6.225 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.067 3.933 -7.931 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.733 5.006 -6.677 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.497 4.479 -4.625 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.118 6.101 -5.014 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.379 5.755 -5.161 1.00 0.00 H new ATOM 653 N GLU A 43 2.078 8.255 -9.423 1.00 0.00 N ATOM 654 CA GLU A 43 1.929 9.617 -9.922 1.00 0.00 C ATOM 655 C GLU A 43 0.553 10.178 -9.573 1.00 0.00 C ATOM 656 O GLU A 43 -0.411 9.993 -10.314 1.00 0.00 O ATOM 657 CB GLU A 43 2.136 9.654 -11.438 1.00 0.00 C ATOM 658 CG GLU A 43 3.571 9.934 -11.850 1.00 0.00 C ATOM 659 CD GLU A 43 3.927 11.405 -11.762 1.00 0.00 C ATOM 660 OE1 GLU A 43 3.035 12.245 -12.002 1.00 0.00 O ATOM 661 OE2 GLU A 43 5.096 11.716 -11.455 1.00 0.00 O ATOM 0 H GLU A 43 1.473 7.570 -9.876 1.00 0.00 H new ATOM 0 HA GLU A 43 2.687 10.236 -9.443 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.825 8.699 -11.862 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.488 10.419 -11.866 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.246 9.362 -11.213 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.726 9.587 -12.872 1.00 0.00 H new ATOM 668 N ALA A 44 0.472 10.864 -8.437 1.00 0.00 N ATOM 669 CA ALA A 44 -0.784 11.453 -7.989 1.00 0.00 C ATOM 670 C ALA A 44 -0.699 12.975 -7.967 1.00 0.00 C ATOM 671 O ALA A 44 0.334 13.546 -7.615 1.00 0.00 O ATOM 672 CB ALA A 44 -1.153 10.923 -6.611 1.00 0.00 C ATOM 0 H ALA A 44 1.261 11.025 -7.811 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.563 11.169 -8.696 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.093 11.371 -6.289 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.264 9.840 -6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.367 11.178 -5.900 1.00 0.00 H new ATOM 678 N THR A 45 -1.793 13.629 -8.347 1.00 0.00 N ATOM 679 CA THR A 45 -1.841 15.086 -8.373 1.00 0.00 C ATOM 680 C THR A 45 -3.000 15.612 -7.534 1.00 0.00 C ATOM 681 O THR A 45 -4.161 15.288 -7.787 1.00 0.00 O ATOM 682 CB THR A 45 -1.981 15.617 -9.812 1.00 0.00 C ATOM 683 OG1 THR A 45 -0.859 15.202 -10.599 1.00 0.00 O ATOM 684 CG2 THR A 45 -2.080 17.135 -9.821 1.00 0.00 C ATOM 0 H THR A 45 -2.657 13.173 -8.641 1.00 0.00 H new ATOM 0 HA THR A 45 -0.901 15.442 -7.952 1.00 0.00 H new ATOM 0 HB THR A 45 -2.896 15.206 -10.240 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.957 15.542 -11.513 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.178 17.487 -10.848 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.952 17.446 -9.246 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.181 17.561 -9.376 1.00 0.00 H new ATOM 692 N CYS A 46 -2.678 16.427 -6.534 1.00 0.00 N ATOM 693 CA CYS A 46 -3.693 16.999 -5.657 1.00 0.00 C ATOM 694 C CYS A 46 -4.578 17.982 -6.418 1.00 0.00 C ATOM 695 O CYS A 46 -4.106 18.793 -7.214 1.00 0.00 O ATOM 696 CB CYS A 46 -3.032 17.704 -4.471 1.00 0.00 C ATOM 697 SG CYS A 46 -3.977 17.590 -2.918 1.00 0.00 S ATOM 0 H CYS A 46 -1.722 16.706 -6.311 1.00 0.00 H new ATOM 0 HA CYS A 46 -4.318 16.186 -5.287 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -2.042 17.276 -4.314 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -2.889 18.755 -4.721 1.00 0.00 H new ATOM 702 N PRO A 47 -5.894 17.909 -6.168 1.00 0.00 N ATOM 703 CA PRO A 47 -6.873 18.785 -6.818 1.00 0.00 C ATOM 704 C PRO A 47 -6.763 20.229 -6.344 1.00 0.00 C ATOM 705 O PRO A 47 -7.308 21.140 -6.967 1.00 0.00 O ATOM 706 CB PRO A 47 -8.218 18.185 -6.400 1.00 0.00 C ATOM 707 CG PRO A 47 -7.936 17.478 -5.120 1.00 0.00 C ATOM 708 CD PRO A 47 -6.527 16.966 -5.231 1.00 0.00 C ATOM 0 HA PRO A 47 -6.728 18.829 -7.897 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.973 18.960 -6.266 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.597 17.498 -7.157 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.040 18.153 -4.270 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.638 16.659 -4.964 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.024 16.962 -4.264 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.499 15.944 -5.609 1.00 0.00 H new ATOM 716 N GLN A 48 -6.056 20.432 -5.237 1.00 0.00 N ATOM 717 CA GLN A 48 -5.876 21.767 -4.679 1.00 0.00 C ATOM 718 C GLN A 48 -4.428 22.226 -4.821 1.00 0.00 C ATOM 719 O GLN A 48 -4.162 23.383 -5.146 1.00 0.00 O ATOM 720 CB GLN A 48 -6.288 21.788 -3.206 1.00 0.00 C ATOM 721 CG GLN A 48 -5.474 20.846 -2.334 1.00 0.00 C ATOM 722 CD GLN A 48 -5.616 21.151 -0.856 1.00 0.00 C ATOM 723 OE1 GLN A 48 -6.595 20.759 -0.220 1.00 0.00 O ATOM 724 NE2 GLN A 48 -4.636 21.853 -0.299 1.00 0.00 N ATOM 0 H GLN A 48 -5.598 19.689 -4.709 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.512 22.454 -5.236 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.186 22.803 -2.823 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.342 21.522 -3.128 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.790 19.820 -2.521 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.423 20.913 -2.616 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.843 22.158 -0.863 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.676 22.087 0.693 1.00 0.00 H new ATOM 733 N CYS A 49 -3.496 21.311 -4.575 1.00 0.00 N ATOM 734 CA CYS A 49 -2.075 21.621 -4.674 1.00 0.00 C ATOM 735 C CYS A 49 -1.583 21.465 -6.110 1.00 0.00 C ATOM 736 O CYS A 49 -0.671 22.169 -6.545 1.00 0.00 O ATOM 737 CB CYS A 49 -1.268 20.712 -3.745 1.00 0.00 C ATOM 738 SG CYS A 49 -1.901 20.642 -2.039 1.00 0.00 S ATOM 0 H CYS A 49 -3.700 20.349 -4.306 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.933 22.658 -4.371 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.258 19.704 -4.159 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.235 21.058 -3.724 1.00 0.00 H new ATOM 743 N HIS A 50 -2.194 20.538 -6.842 1.00 0.00 N ATOM 744 CA HIS A 50 -1.819 20.289 -8.229 1.00 0.00 C ATOM 745 C HIS A 50 -0.345 19.908 -8.334 1.00 0.00 C ATOM 746 O HIS A 50 0.282 20.100 -9.375 1.00 0.00 O ATOM 747 CB HIS A 50 -2.100 21.525 -9.084 1.00 0.00 C ATOM 748 CG HIS A 50 -3.491 21.566 -9.639 1.00 0.00 C ATOM 749 ND1 HIS A 50 -4.093 22.727 -10.077 1.00 0.00 N ATOM 750 CD2 HIS A 50 -4.399 20.580 -9.826 1.00 0.00 C ATOM 751 CE1 HIS A 50 -5.311 22.453 -10.509 1.00 0.00 C ATOM 752 NE2 HIS A 50 -5.521 21.157 -10.368 1.00 0.00 N ATOM 0 H HIS A 50 -2.951 19.947 -6.497 1.00 0.00 H new ATOM 0 HA HIS A 50 -2.418 19.456 -8.598 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -1.931 22.418 -8.483 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.388 21.556 -9.908 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.266 19.534 -9.592 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -6.015 23.167 -10.909 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -6.378 20.664 -10.621 1.00 0.00 H new ATOM 760 N GLN A 51 0.200 19.369 -7.248 1.00 0.00 N ATOM 761 CA GLN A 51 1.600 18.963 -7.219 1.00 0.00 C ATOM 762 C GLN A 51 1.726 17.443 -7.197 1.00 0.00 C ATOM 763 O GLN A 51 0.919 16.751 -6.574 1.00 0.00 O ATOM 764 CB GLN A 51 2.301 19.563 -5.999 1.00 0.00 C ATOM 765 CG GLN A 51 3.751 19.127 -5.855 1.00 0.00 C ATOM 766 CD GLN A 51 4.696 19.955 -6.703 1.00 0.00 C ATOM 767 OE1 GLN A 51 4.273 20.866 -7.415 1.00 0.00 O ATOM 768 NE2 GLN A 51 5.985 19.642 -6.630 1.00 0.00 N ATOM 0 H GLN A 51 -0.306 19.204 -6.378 1.00 0.00 H new ATOM 0 HA GLN A 51 2.079 19.335 -8.124 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.262 20.650 -6.066 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.754 19.279 -5.100 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.047 19.203 -4.809 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.841 18.078 -6.137 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.291 18.879 -6.026 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.669 20.165 -7.178 1.00 0.00 H new ATOM 777 N THR A 52 2.743 16.928 -7.881 1.00 0.00 N ATOM 778 CA THR A 52 2.974 15.490 -7.941 1.00 0.00 C ATOM 779 C THR A 52 3.594 14.979 -6.646 1.00 0.00 C ATOM 780 O THR A 52 4.767 15.230 -6.366 1.00 0.00 O ATOM 781 CB THR A 52 3.892 15.118 -9.120 1.00 0.00 C ATOM 782 OG1 THR A 52 3.399 15.704 -10.329 1.00 0.00 O ATOM 783 CG2 THR A 52 3.980 13.607 -9.281 1.00 0.00 C ATOM 0 H THR A 52 3.420 17.486 -8.401 1.00 0.00 H new ATOM 0 HA THR A 52 2.002 15.018 -8.085 1.00 0.00 H new ATOM 0 HB THR A 52 4.890 15.504 -8.911 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.989 15.464 -11.073 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.634 13.368 -10.120 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.384 13.167 -8.369 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.985 13.203 -9.469 1.00 0.00 H new ATOM 791 N PHE A 53 2.801 14.259 -5.859 1.00 0.00 N ATOM 792 CA PHE A 53 3.273 13.711 -4.593 1.00 0.00 C ATOM 793 C PHE A 53 3.049 12.203 -4.535 1.00 0.00 C ATOM 794 O PHE A 53 2.062 11.690 -5.062 1.00 0.00 O ATOM 795 CB PHE A 53 2.559 14.390 -3.422 1.00 0.00 C ATOM 796 CG PHE A 53 1.097 14.058 -3.338 1.00 0.00 C ATOM 797 CD1 PHE A 53 0.179 14.701 -4.153 1.00 0.00 C ATOM 798 CD2 PHE A 53 0.640 13.102 -2.445 1.00 0.00 C ATOM 799 CE1 PHE A 53 -1.167 14.398 -4.077 1.00 0.00 C ATOM 800 CE2 PHE A 53 -0.705 12.795 -2.365 1.00 0.00 C ATOM 801 CZ PHE A 53 -1.610 13.443 -3.183 1.00 0.00 C ATOM 0 H PHE A 53 1.828 14.042 -6.076 1.00 0.00 H new ATOM 0 HA PHE A 53 4.343 13.904 -4.519 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.044 14.096 -2.491 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.673 15.470 -3.514 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.519 15.447 -4.855 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.343 12.591 -1.804 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.872 14.908 -4.716 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.048 12.049 -1.663 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.661 13.203 -3.124 1.00 0.00 H new ATOM 811 N CYS A 54 3.973 11.498 -3.891 1.00 0.00 N ATOM 812 CA CYS A 54 3.879 10.049 -3.764 1.00 0.00 C ATOM 813 C CYS A 54 2.573 9.646 -3.086 1.00 0.00 C ATOM 814 O CYS A 54 2.011 10.405 -2.297 1.00 0.00 O ATOM 815 CB CYS A 54 5.068 9.507 -2.968 1.00 0.00 C ATOM 816 SG CYS A 54 5.180 7.689 -2.943 1.00 0.00 S ATOM 0 H CYS A 54 4.796 11.907 -3.449 1.00 0.00 H new ATOM 0 HA CYS A 54 3.895 9.620 -4.766 1.00 0.00 H new ATOM 0 HB2 CYS A 54 5.988 9.911 -3.390 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.001 9.870 -1.943 1.00 0.00 H new ATOM 821 N VAL A 55 2.095 8.445 -3.399 1.00 0.00 N ATOM 822 CA VAL A 55 0.857 7.940 -2.820 1.00 0.00 C ATOM 823 C VAL A 55 1.134 7.093 -1.583 1.00 0.00 C ATOM 824 O VAL A 55 0.263 6.916 -0.731 1.00 0.00 O ATOM 825 CB VAL A 55 0.063 7.099 -3.837 1.00 0.00 C ATOM 826 CG1 VAL A 55 -0.319 7.941 -5.045 1.00 0.00 C ATOM 827 CG2 VAL A 55 0.867 5.878 -4.261 1.00 0.00 C ATOM 0 H VAL A 55 2.548 7.804 -4.051 1.00 0.00 H new ATOM 0 HA VAL A 55 0.263 8.809 -2.536 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.854 6.755 -3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.879 7.329 -5.752 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.935 8.780 -4.723 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.584 8.317 -5.526 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.291 5.295 -4.980 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.802 6.199 -4.720 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.085 5.264 -3.387 1.00 0.00 H new ATOM 837 N ARG A 56 2.353 6.572 -1.491 1.00 0.00 N ATOM 838 CA ARG A 56 2.745 5.742 -0.358 1.00 0.00 C ATOM 839 C ARG A 56 3.230 6.604 0.805 1.00 0.00 C ATOM 840 O ARG A 56 2.559 6.715 1.831 1.00 0.00 O ATOM 841 CB ARG A 56 3.844 4.762 -0.772 1.00 0.00 C ATOM 842 CG ARG A 56 3.339 3.603 -1.616 1.00 0.00 C ATOM 843 CD ARG A 56 4.489 2.794 -2.197 1.00 0.00 C ATOM 844 NE ARG A 56 4.053 1.482 -2.665 1.00 0.00 N ATOM 845 CZ ARG A 56 3.358 1.293 -3.782 1.00 0.00 C ATOM 846 NH1 ARG A 56 3.023 2.327 -4.541 1.00 0.00 N ATOM 847 NH2 ARG A 56 2.998 0.067 -4.141 1.00 0.00 N ATOM 0 H ARG A 56 3.086 6.710 -2.187 1.00 0.00 H new ATOM 0 HA ARG A 56 1.870 5.180 -0.032 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.609 5.301 -1.331 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.323 4.367 0.124 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.709 2.955 -1.007 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.716 3.985 -2.425 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.937 3.344 -3.025 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.264 2.670 -1.440 1.00 0.00 H new ATOM 0 HE ARG A 56 4.295 0.665 -2.104 1.00 0.00 H new ATOM 0 HH11 ARG A 56 3.299 3.270 -4.268 1.00 0.00 H new ATOM 0 HH12 ARG A 56 2.490 2.179 -5.398 1.00 0.00 H new ATOM 0 HH21 ARG A 56 3.255 -0.731 -3.560 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.465 -0.077 -4.998 1.00 0.00 H new ATOM 861 N CYS A 57 4.400 7.211 0.637 1.00 0.00 N ATOM 862 CA CYS A 57 4.976 8.062 1.671 1.00 0.00 C ATOM 863 C CYS A 57 4.200 9.370 1.794 1.00 0.00 C ATOM 864 O CYS A 57 4.167 9.989 2.858 1.00 0.00 O ATOM 865 CB CYS A 57 6.445 8.355 1.360 1.00 0.00 C ATOM 866 SG CYS A 57 6.761 8.812 -0.374 1.00 0.00 S ATOM 0 H CYS A 57 4.968 7.129 -0.206 1.00 0.00 H new ATOM 0 HA CYS A 57 4.911 7.531 2.621 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.788 9.163 2.006 1.00 0.00 H new ATOM 0 HB3 CYS A 57 7.040 7.476 1.607 1.00 0.00 H new ATOM 871 N LYS A 58 3.575 9.786 0.698 1.00 0.00 N ATOM 872 CA LYS A 58 2.797 11.019 0.681 1.00 0.00 C ATOM 873 C LYS A 58 3.705 12.237 0.820 1.00 0.00 C ATOM 874 O LYS A 58 3.429 13.143 1.607 1.00 0.00 O ATOM 875 CB LYS A 58 1.763 11.010 1.808 1.00 0.00 C ATOM 876 CG LYS A 58 0.912 9.752 1.842 1.00 0.00 C ATOM 877 CD LYS A 58 0.013 9.654 0.621 1.00 0.00 C ATOM 878 CE LYS A 58 -1.288 8.934 0.943 1.00 0.00 C ATOM 879 NZ LYS A 58 -1.057 7.507 1.302 1.00 0.00 N ATOM 0 H LYS A 58 3.592 9.287 -0.191 1.00 0.00 H new ATOM 0 HA LYS A 58 2.280 11.080 -0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.278 11.116 2.763 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.111 11.877 1.699 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.558 8.876 1.890 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.302 9.749 2.745 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.206 10.654 0.248 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.536 9.124 -0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.789 9.440 1.769 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.956 8.989 0.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.970 7.013 1.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.469 7.056 0.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.570 7.454 2.220 1.00 0.00 H new ATOM 893 N ARG A 59 4.789 12.253 0.051 1.00 0.00 N ATOM 894 CA ARG A 59 5.737 13.360 0.088 1.00 0.00 C ATOM 895 C ARG A 59 6.027 13.875 -1.318 1.00 0.00 C ATOM 896 O ARG A 59 5.681 13.232 -2.308 1.00 0.00 O ATOM 897 CB ARG A 59 7.039 12.921 0.761 1.00 0.00 C ATOM 898 CG ARG A 59 7.986 12.180 -0.169 1.00 0.00 C ATOM 899 CD ARG A 59 9.250 11.745 0.555 1.00 0.00 C ATOM 900 NE ARG A 59 10.306 12.750 0.463 1.00 0.00 N ATOM 901 CZ ARG A 59 11.270 12.888 1.367 1.00 0.00 C ATOM 902 NH1 ARG A 59 11.311 12.089 2.424 1.00 0.00 N ATOM 903 NH2 ARG A 59 12.196 13.826 1.214 1.00 0.00 N ATOM 0 H ARG A 59 5.033 11.511 -0.606 1.00 0.00 H new ATOM 0 HA ARG A 59 5.291 14.169 0.667 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.547 13.800 1.158 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.801 12.280 1.610 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.483 11.306 -0.582 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.249 12.822 -1.009 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.020 11.555 1.603 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.605 10.806 0.132 1.00 0.00 H new ATOM 0 HE ARG A 59 10.303 13.380 -0.339 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.602 11.366 2.545 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.052 12.197 3.116 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.168 14.442 0.402 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.935 13.931 1.909 1.00 0.00 H new ATOM 917 N GLN A 60 6.664 15.039 -1.396 1.00 0.00 N ATOM 918 CA GLN A 60 7.000 15.641 -2.682 1.00 0.00 C ATOM 919 C GLN A 60 7.644 14.617 -3.610 1.00 0.00 C ATOM 920 O GLN A 60 8.762 14.162 -3.367 1.00 0.00 O ATOM 921 CB GLN A 60 7.941 16.830 -2.482 1.00 0.00 C ATOM 922 CG GLN A 60 7.894 17.841 -3.616 1.00 0.00 C ATOM 923 CD GLN A 60 9.067 18.801 -3.592 1.00 0.00 C ATOM 924 OE1 GLN A 60 9.276 19.518 -2.613 1.00 0.00 O ATOM 925 NE2 GLN A 60 9.840 18.819 -4.671 1.00 0.00 N ATOM 0 H GLN A 60 6.958 15.584 -0.585 1.00 0.00 H new ATOM 0 HA GLN A 60 6.077 15.992 -3.143 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.686 17.332 -1.549 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.961 16.461 -2.377 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.882 17.312 -4.569 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.965 18.407 -3.554 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.629 18.207 -5.460 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.645 19.444 -4.711 1.00 0.00 H new ATOM 934 N TRP A 61 6.934 14.261 -4.674 1.00 0.00 N ATOM 935 CA TRP A 61 7.437 13.290 -5.639 1.00 0.00 C ATOM 936 C TRP A 61 8.799 13.714 -6.177 1.00 0.00 C ATOM 937 O TRP A 61 8.986 14.860 -6.584 1.00 0.00 O ATOM 938 CB TRP A 61 6.447 13.127 -6.793 1.00 0.00 C ATOM 939 CG TRP A 61 6.854 12.076 -7.781 1.00 0.00 C ATOM 940 CD1 TRP A 61 7.230 12.273 -9.079 1.00 0.00 C ATOM 941 CD2 TRP A 61 6.923 10.665 -7.551 1.00 0.00 C ATOM 942 NE1 TRP A 61 7.529 11.069 -9.670 1.00 0.00 N ATOM 943 CE2 TRP A 61 7.349 10.067 -8.753 1.00 0.00 C ATOM 944 CE3 TRP A 61 6.668 9.848 -6.446 1.00 0.00 C ATOM 945 CZ2 TRP A 61 7.524 8.691 -8.879 1.00 0.00 C ATOM 946 CZ3 TRP A 61 6.842 8.483 -6.573 1.00 0.00 C ATOM 947 CH2 TRP A 61 7.267 7.916 -7.781 1.00 0.00 C ATOM 0 H TRP A 61 6.008 14.630 -4.891 1.00 0.00 H new ATOM 0 HA TRP A 61 7.550 12.333 -5.129 1.00 0.00 H new ATOM 0 HB2 TRP A 61 5.467 12.875 -6.388 1.00 0.00 H new ATOM 0 HB3 TRP A 61 6.343 14.081 -7.310 1.00 0.00 H new ATOM 0 HD1 TRP A 61 7.284 13.234 -9.569 1.00 0.00 H new ATOM 0 HE1 TRP A 61 7.835 10.942 -10.635 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.341 10.276 -5.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 7.851 8.252 -9.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 6.647 7.842 -5.726 1.00 0.00 H new ATOM 0 HH2 TRP A 61 7.394 6.846 -7.847 1.00 0.00 H new ATOM 958 N GLU A 62 9.747 12.782 -6.177 1.00 0.00 N ATOM 959 CA GLU A 62 11.092 13.062 -6.666 1.00 0.00 C ATOM 960 C GLU A 62 11.469 12.109 -7.797 1.00 0.00 C ATOM 961 O GLU A 62 11.257 10.901 -7.701 1.00 0.00 O ATOM 962 CB GLU A 62 12.107 12.945 -5.527 1.00 0.00 C ATOM 963 CG GLU A 62 13.540 13.204 -5.959 1.00 0.00 C ATOM 964 CD GLU A 62 13.777 14.647 -6.359 1.00 0.00 C ATOM 965 OE1 GLU A 62 13.109 15.537 -5.793 1.00 0.00 O ATOM 966 OE2 GLU A 62 14.633 14.886 -7.237 1.00 0.00 O ATOM 0 H GLU A 62 9.609 11.828 -5.844 1.00 0.00 H new ATOM 0 HA GLU A 62 11.106 14.081 -7.053 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.840 13.651 -4.740 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.042 11.947 -5.095 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.214 12.941 -5.144 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.786 12.553 -6.798 1.00 0.00 H new ATOM 973 N GLU A 63 12.029 12.664 -8.868 1.00 0.00 N ATOM 974 CA GLU A 63 12.434 11.864 -10.018 1.00 0.00 C ATOM 975 C GLU A 63 13.071 10.552 -9.571 1.00 0.00 C ATOM 976 O GLU A 63 12.571 9.471 -9.881 1.00 0.00 O ATOM 977 CB GLU A 63 13.415 12.648 -10.892 1.00 0.00 C ATOM 978 CG GLU A 63 12.741 13.647 -11.818 1.00 0.00 C ATOM 979 CD GLU A 63 13.614 14.852 -12.110 1.00 0.00 C ATOM 980 OE1 GLU A 63 13.992 15.556 -11.150 1.00 0.00 O ATOM 981 OE2 GLU A 63 13.918 15.091 -13.297 1.00 0.00 O ATOM 0 H GLU A 63 12.212 13.663 -8.963 1.00 0.00 H new ATOM 0 HA GLU A 63 11.542 11.635 -10.601 1.00 0.00 H new ATOM 0 HB2 GLU A 63 14.118 13.178 -10.249 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.997 11.946 -11.490 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.485 13.153 -12.755 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.806 13.981 -11.368 1.00 0.00 H new ATOM 988 N GLN A 64 14.176 10.656 -8.841 1.00 0.00 N ATOM 989 CA GLN A 64 14.883 9.478 -8.352 1.00 0.00 C ATOM 990 C GLN A 64 13.912 8.483 -7.724 1.00 0.00 C ATOM 991 O GLN A 64 14.046 7.272 -7.903 1.00 0.00 O ATOM 992 CB GLN A 64 15.948 9.882 -7.331 1.00 0.00 C ATOM 993 CG GLN A 64 16.927 10.921 -7.854 1.00 0.00 C ATOM 994 CD GLN A 64 17.797 10.390 -8.977 1.00 0.00 C ATOM 995 OE1 GLN A 64 18.369 9.305 -8.875 1.00 0.00 O ATOM 996 NE2 GLN A 64 17.900 11.155 -10.057 1.00 0.00 N ATOM 0 H GLN A 64 14.602 11.544 -8.575 1.00 0.00 H new ATOM 0 HA GLN A 64 15.369 8.998 -9.202 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.456 10.274 -6.441 1.00 0.00 H new ATOM 0 HB3 GLN A 64 16.502 8.994 -7.025 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.373 11.790 -8.208 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.563 11.260 -7.036 1.00 0.00 H new ATOM 0 HE21 GLN A 64 17.408 12.048 -10.099 1.00 0.00 H new ATOM 0 HE22 GLN A 64 18.471 10.850 -10.845 1.00 0.00 H new ATOM 1005 N HIS A 65 12.934 9.001 -6.988 1.00 0.00 N ATOM 1006 CA HIS A 65 11.940 8.158 -6.333 1.00 0.00 C ATOM 1007 C HIS A 65 11.215 7.283 -7.351 1.00 0.00 C ATOM 1008 O HIS A 65 10.844 6.147 -7.055 1.00 0.00 O ATOM 1009 CB HIS A 65 10.931 9.019 -5.573 1.00 0.00 C ATOM 1010 CG HIS A 65 10.243 8.292 -4.459 1.00 0.00 C ATOM 1011 ND1 HIS A 65 10.106 6.920 -4.427 1.00 0.00 N ATOM 1012 CD2 HIS A 65 9.652 8.754 -3.332 1.00 0.00 C ATOM 1013 CE1 HIS A 65 9.459 6.570 -3.330 1.00 0.00 C ATOM 1014 NE2 HIS A 65 9.173 7.664 -2.647 1.00 0.00 N ATOM 0 H HIS A 65 12.808 10.001 -6.830 1.00 0.00 H new ATOM 0 HA HIS A 65 12.458 7.510 -5.626 1.00 0.00 H new ATOM 0 HB2 HIS A 65 11.443 9.890 -5.165 1.00 0.00 H new ATOM 0 HB3 HIS A 65 10.181 9.388 -6.273 1.00 0.00 H new ATOM 0 HD1 HIS A 65 10.451 6.276 -5.139 1.00 0.00 H new ATOM 0 HD2 HIS A 65 9.572 9.787 -3.028 1.00 0.00 H new ATOM 0 HE1 HIS A 65 9.207 5.561 -3.040 1.00 0.00 H new ATOM 1022 N ARG A 66 11.016 7.820 -8.551 1.00 0.00 N ATOM 1023 CA ARG A 66 10.333 7.089 -9.611 1.00 0.00 C ATOM 1024 C ARG A 66 10.969 5.718 -9.823 1.00 0.00 C ATOM 1025 O ARG A 66 10.281 4.743 -10.123 1.00 0.00 O ATOM 1026 CB ARG A 66 10.370 7.887 -10.916 1.00 0.00 C ATOM 1027 CG ARG A 66 11.651 7.695 -11.711 1.00 0.00 C ATOM 1028 CD ARG A 66 11.533 6.533 -12.685 1.00 0.00 C ATOM 1029 NE ARG A 66 12.631 6.513 -13.648 1.00 0.00 N ATOM 1030 CZ ARG A 66 12.865 5.499 -14.474 1.00 0.00 C ATOM 1031 NH1 ARG A 66 12.082 4.429 -14.454 1.00 0.00 N ATOM 1032 NH2 ARG A 66 13.884 5.555 -15.322 1.00 0.00 N ATOM 0 H ARG A 66 11.318 8.758 -8.813 1.00 0.00 H new ATOM 0 HA ARG A 66 9.295 6.947 -9.309 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.521 7.595 -11.535 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.249 8.946 -10.688 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.881 8.609 -12.259 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.481 7.516 -11.028 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.520 5.595 -12.130 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.585 6.601 -13.218 1.00 0.00 H new ATOM 0 HE ARG A 66 13.252 7.321 -13.689 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.298 4.383 -13.803 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.264 3.652 -15.089 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.488 6.377 -15.340 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.063 4.776 -15.956 1.00 0.00 H new ATOM 1046 N GLY A 67 12.287 5.652 -9.664 1.00 0.00 N ATOM 1047 CA GLY A 67 12.994 4.397 -9.843 1.00 0.00 C ATOM 1048 C GLY A 67 13.362 3.746 -8.524 1.00 0.00 C ATOM 1049 O GLY A 67 14.204 2.850 -8.480 1.00 0.00 O ATOM 0 H GLY A 67 12.878 6.445 -9.414 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.373 3.713 -10.422 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.900 4.573 -10.423 1.00 0.00 H new ATOM 1053 N ARG A 68 12.729 4.199 -7.446 1.00 0.00 N ATOM 1054 CA ARG A 68 12.997 3.657 -6.119 1.00 0.00 C ATOM 1055 C ARG A 68 11.731 3.654 -5.268 1.00 0.00 C ATOM 1056 O ARG A 68 10.670 4.091 -5.714 1.00 0.00 O ATOM 1057 CB ARG A 68 14.090 4.470 -5.424 1.00 0.00 C ATOM 1058 CG ARG A 68 15.369 4.593 -6.237 1.00 0.00 C ATOM 1059 CD ARG A 68 16.228 5.750 -5.752 1.00 0.00 C ATOM 1060 NE ARG A 68 17.553 5.742 -6.365 1.00 0.00 N ATOM 1061 CZ ARG A 68 17.814 6.259 -7.560 1.00 0.00 C ATOM 1062 NH1 ARG A 68 16.846 6.825 -8.267 1.00 0.00 N ATOM 1063 NH2 ARG A 68 19.047 6.213 -8.050 1.00 0.00 N ATOM 0 H ARG A 68 12.028 4.939 -7.466 1.00 0.00 H new ATOM 0 HA ARG A 68 13.338 2.628 -6.236 1.00 0.00 H new ATOM 0 HB2 ARG A 68 13.708 5.468 -5.210 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.322 4.006 -4.466 1.00 0.00 H new ATOM 0 HG2 ARG A 68 15.935 3.664 -6.169 1.00 0.00 H new ATOM 0 HG3 ARG A 68 15.121 4.738 -7.288 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.729 6.692 -5.979 1.00 0.00 H new ATOM 0 HD3 ARG A 68 16.330 5.697 -4.668 1.00 0.00 H new ATOM 0 HE ARG A 68 18.321 5.316 -5.847 1.00 0.00 H new ATOM 0 HH11 ARG A 68 15.898 6.864 -7.893 1.00 0.00 H new ATOM 0 HH12 ARG A 68 17.049 7.221 -9.185 1.00 0.00 H new ATOM 0 HH21 ARG A 68 19.795 5.780 -7.508 1.00 0.00 H new ATOM 0 HH22 ARG A 68 19.246 6.610 -8.968 1.00 0.00 H new ATOM 1077 N SER A 69 11.850 3.157 -4.041 1.00 0.00 N ATOM 1078 CA SER A 69 10.715 3.093 -3.128 1.00 0.00 C ATOM 1079 C SER A 69 10.832 4.155 -2.039 1.00 0.00 C ATOM 1080 O SER A 69 11.831 4.872 -1.959 1.00 0.00 O ATOM 1081 CB SER A 69 10.621 1.704 -2.494 1.00 0.00 C ATOM 1082 OG SER A 69 11.846 1.339 -1.882 1.00 0.00 O ATOM 0 H SER A 69 12.722 2.793 -3.656 1.00 0.00 H new ATOM 0 HA SER A 69 9.808 3.285 -3.702 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.823 1.693 -1.752 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.359 0.970 -3.256 1.00 0.00 H new ATOM 0 HG SER A 69 11.760 0.448 -1.483 1.00 0.00 H new ATOM 1088 N CYS A 70 9.805 4.250 -1.201 1.00 0.00 N ATOM 1089 CA CYS A 70 9.791 5.224 -0.116 1.00 0.00 C ATOM 1090 C CYS A 70 10.988 5.025 0.810 1.00 0.00 C ATOM 1091 O CYS A 70 11.535 5.986 1.348 1.00 0.00 O ATOM 1092 CB CYS A 70 8.491 5.109 0.682 1.00 0.00 C ATOM 1093 SG CYS A 70 6.982 5.244 -0.330 1.00 0.00 S ATOM 0 H CYS A 70 8.972 3.664 -1.253 1.00 0.00 H new ATOM 0 HA CYS A 70 9.855 6.220 -0.554 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.481 4.152 1.204 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.475 5.888 1.444 1.00 0.00 H new ATOM 1098 N GLU A 71 11.388 3.770 0.989 1.00 0.00 N ATOM 1099 CA GLU A 71 12.520 3.445 1.849 1.00 0.00 C ATOM 1100 C GLU A 71 13.841 3.726 1.140 1.00 0.00 C ATOM 1101 O GLU A 71 14.611 4.591 1.558 1.00 0.00 O ATOM 1102 CB GLU A 71 12.459 1.977 2.276 1.00 0.00 C ATOM 1103 CG GLU A 71 13.586 1.568 3.210 1.00 0.00 C ATOM 1104 CD GLU A 71 13.261 0.317 4.003 1.00 0.00 C ATOM 1105 OE1 GLU A 71 12.625 0.440 5.071 1.00 0.00 O ATOM 1106 OE2 GLU A 71 13.643 -0.785 3.557 1.00 0.00 O ATOM 0 H GLU A 71 10.945 2.962 0.550 1.00 0.00 H new ATOM 0 HA GLU A 71 12.463 4.077 2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.505 1.790 2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.488 1.347 1.387 1.00 0.00 H new ATOM 0 HG2 GLU A 71 14.492 1.400 2.628 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.797 2.386 3.899 1.00 0.00 H new ATOM 1113 N ASP A 72 14.097 2.988 0.065 1.00 0.00 N ATOM 1114 CA ASP A 72 15.325 3.157 -0.704 1.00 0.00 C ATOM 1115 C ASP A 72 15.520 4.616 -1.102 1.00 0.00 C ATOM 1116 O ASP A 72 16.636 5.136 -1.068 1.00 0.00 O ATOM 1117 CB ASP A 72 15.295 2.274 -1.953 1.00 0.00 C ATOM 1118 CG ASP A 72 15.771 0.862 -1.675 1.00 0.00 C ATOM 1119 OD1 ASP A 72 16.999 0.661 -1.565 1.00 0.00 O ATOM 1120 OD2 ASP A 72 14.916 -0.043 -1.568 1.00 0.00 O ATOM 0 H ASP A 72 13.471 2.267 -0.294 1.00 0.00 H new ATOM 0 HA ASP A 72 16.163 2.856 -0.075 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.279 2.241 -2.347 1.00 0.00 H new ATOM 0 HB3 ASP A 72 15.922 2.720 -2.725 1.00 0.00 H new ATOM 1125 N PHE A 73 14.428 5.273 -1.480 1.00 0.00 N ATOM 1126 CA PHE A 73 14.480 6.672 -1.887 1.00 0.00 C ATOM 1127 C PHE A 73 15.188 7.519 -0.833 1.00 0.00 C ATOM 1128 O PHE A 73 16.102 8.280 -1.147 1.00 0.00 O ATOM 1129 CB PHE A 73 13.066 7.209 -2.123 1.00 0.00 C ATOM 1130 CG PHE A 73 13.026 8.680 -2.422 1.00 0.00 C ATOM 1131 CD1 PHE A 73 13.689 9.195 -3.524 1.00 0.00 C ATOM 1132 CD2 PHE A 73 12.325 9.548 -1.601 1.00 0.00 C ATOM 1133 CE1 PHE A 73 13.654 10.549 -3.800 1.00 0.00 C ATOM 1134 CE2 PHE A 73 12.286 10.903 -1.872 1.00 0.00 C ATOM 1135 CZ PHE A 73 12.951 11.403 -2.974 1.00 0.00 C ATOM 0 H PHE A 73 13.497 4.859 -1.513 1.00 0.00 H new ATOM 0 HA PHE A 73 15.045 6.733 -2.817 1.00 0.00 H new ATOM 0 HB2 PHE A 73 12.613 6.665 -2.952 1.00 0.00 H new ATOM 0 HB3 PHE A 73 12.458 7.009 -1.241 1.00 0.00 H new ATOM 0 HD1 PHE A 73 14.239 8.531 -4.175 1.00 0.00 H new ATOM 0 HD2 PHE A 73 11.802 9.161 -0.739 1.00 0.00 H new ATOM 0 HE1 PHE A 73 14.176 10.939 -4.661 1.00 0.00 H new ATOM 0 HE2 PHE A 73 11.737 11.569 -1.223 1.00 0.00 H new ATOM 0 HZ PHE A 73 12.921 12.461 -3.189 1.00 0.00 H new ATOM 1145 N GLN A 74 14.757 7.380 0.416 1.00 0.00 N ATOM 1146 CA GLN A 74 15.348 8.133 1.516 1.00 0.00 C ATOM 1147 C GLN A 74 16.861 7.938 1.558 1.00 0.00 C ATOM 1148 O GLN A 74 17.620 8.905 1.604 1.00 0.00 O ATOM 1149 CB GLN A 74 14.730 7.704 2.847 1.00 0.00 C ATOM 1150 CG GLN A 74 15.430 8.292 4.061 1.00 0.00 C ATOM 1151 CD GLN A 74 15.260 9.795 4.162 1.00 0.00 C ATOM 1152 OE1 GLN A 74 15.240 10.498 3.151 1.00 0.00 O ATOM 1153 NE2 GLN A 74 15.136 10.297 5.385 1.00 0.00 N ATOM 0 H GLN A 74 14.001 6.753 0.692 1.00 0.00 H new ATOM 0 HA GLN A 74 15.140 9.190 1.352 1.00 0.00 H new ATOM 0 HB2 GLN A 74 13.681 8.001 2.864 1.00 0.00 H new ATOM 0 HB3 GLN A 74 14.754 6.616 2.915 1.00 0.00 H new ATOM 0 HG2 GLN A 74 15.037 7.824 4.964 1.00 0.00 H new ATOM 0 HG3 GLN A 74 16.492 8.053 4.014 1.00 0.00 H new ATOM 0 HE21 GLN A 74 15.158 9.678 6.195 1.00 0.00 H new ATOM 0 HE22 GLN A 74 15.019 11.302 5.514 1.00 0.00 H new ATOM 1162 N ASN A 75 17.291 6.681 1.541 1.00 0.00 N ATOM 1163 CA ASN A 75 18.713 6.359 1.579 1.00 0.00 C ATOM 1164 C ASN A 75 19.470 7.113 0.490 1.00 0.00 C ATOM 1165 O ASN A 75 20.628 7.489 0.673 1.00 0.00 O ATOM 1166 CB ASN A 75 18.920 4.852 1.409 1.00 0.00 C ATOM 1167 CG ASN A 75 18.487 4.068 2.633 1.00 0.00 C ATOM 1168 OD1 ASN A 75 19.185 4.043 3.647 1.00 0.00 O ATOM 1169 ND2 ASN A 75 17.331 3.421 2.542 1.00 0.00 N ATOM 0 H ASN A 75 16.675 5.869 1.501 1.00 0.00 H new ATOM 0 HA ASN A 75 19.105 6.666 2.549 1.00 0.00 H new ATOM 0 HB2 ASN A 75 18.358 4.506 0.542 1.00 0.00 H new ATOM 0 HB3 ASN A 75 19.972 4.653 1.207 1.00 0.00 H new ATOM 0 HD21 ASN A 75 16.989 2.875 3.333 1.00 0.00 H new ATOM 0 HD22 ASN A 75 16.785 3.470 1.682 1.00 0.00 H new ATOM 1176 N TRP A 76 18.808 7.332 -0.640 1.00 0.00 N ATOM 1177 CA TRP A 76 19.418 8.043 -1.758 1.00 0.00 C ATOM 1178 C TRP A 76 19.495 9.539 -1.475 1.00 0.00 C ATOM 1179 O TRP A 76 20.368 10.235 -1.993 1.00 0.00 O ATOM 1180 CB TRP A 76 18.625 7.794 -3.041 1.00 0.00 C ATOM 1181 CG TRP A 76 19.132 8.576 -4.215 1.00 0.00 C ATOM 1182 CD1 TRP A 76 19.787 8.083 -5.307 1.00 0.00 C ATOM 1183 CD2 TRP A 76 19.029 9.991 -4.411 1.00 0.00 C ATOM 1184 NE1 TRP A 76 20.097 9.106 -6.171 1.00 0.00 N ATOM 1185 CE2 TRP A 76 19.641 10.286 -5.645 1.00 0.00 C ATOM 1186 CE3 TRP A 76 18.476 11.036 -3.667 1.00 0.00 C ATOM 1187 CZ2 TRP A 76 19.717 11.582 -6.147 1.00 0.00 C ATOM 1188 CZ3 TRP A 76 18.552 12.322 -4.166 1.00 0.00 C ATOM 1189 CH2 TRP A 76 19.168 12.586 -5.397 1.00 0.00 C ATOM 0 H TRP A 76 17.849 7.028 -0.807 1.00 0.00 H new ATOM 0 HA TRP A 76 20.432 7.664 -1.887 1.00 0.00 H new ATOM 0 HB2 TRP A 76 18.659 6.731 -3.280 1.00 0.00 H new ATOM 0 HB3 TRP A 76 17.579 8.049 -2.868 1.00 0.00 H new ATOM 0 HD1 TRP A 76 20.026 7.042 -5.468 1.00 0.00 H new ATOM 0 HE1 TRP A 76 20.587 9.003 -7.060 1.00 0.00 H new ATOM 0 HE3 TRP A 76 17.997 10.842 -2.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 20.192 11.788 -7.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 18.130 13.138 -3.598 1.00 0.00 H new ATOM 0 HH2 TRP A 76 19.210 13.602 -5.761 1.00 0.00 H new ATOM 1200 N LYS A 77 18.577 10.029 -0.649 1.00 0.00 N ATOM 1201 CA LYS A 77 18.541 11.443 -0.295 1.00 0.00 C ATOM 1202 C LYS A 77 19.685 11.796 0.650 1.00 0.00 C ATOM 1203 O LYS A 77 20.387 12.787 0.448 1.00 0.00 O ATOM 1204 CB LYS A 77 17.201 11.793 0.355 1.00 0.00 C ATOM 1205 CG LYS A 77 16.000 11.483 -0.521 1.00 0.00 C ATOM 1206 CD LYS A 77 15.928 12.414 -1.720 1.00 0.00 C ATOM 1207 CE LYS A 77 15.553 13.829 -1.305 1.00 0.00 C ATOM 1208 NZ LYS A 77 14.854 14.560 -2.397 1.00 0.00 N ATOM 0 H LYS A 77 17.847 9.467 -0.212 1.00 0.00 H new ATOM 0 HA LYS A 77 18.656 12.024 -1.210 1.00 0.00 H new ATOM 0 HB2 LYS A 77 17.107 11.245 1.292 1.00 0.00 H new ATOM 0 HB3 LYS A 77 17.194 12.854 0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 77 16.056 10.450 -0.864 1.00 0.00 H new ATOM 0 HG3 LYS A 77 15.087 11.574 0.067 1.00 0.00 H new ATOM 0 HD2 LYS A 77 16.891 12.427 -2.231 1.00 0.00 H new ATOM 0 HD3 LYS A 77 15.194 12.036 -2.432 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.911 13.791 -0.425 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.453 14.375 -1.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 14.646 15.531 -2.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 15.462 14.589 -3.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 13.965 14.072 -2.628 1.00 0.00 H new ATOM 1222 N ARG A 78 19.867 10.979 1.682 1.00 0.00 N ATOM 1223 CA ARG A 78 20.926 11.205 2.659 1.00 0.00 C ATOM 1224 C ARG A 78 22.301 11.078 2.009 1.00 0.00 C ATOM 1225 O ARG A 78 23.267 11.697 2.453 1.00 0.00 O ATOM 1226 CB ARG A 78 20.803 10.212 3.816 1.00 0.00 C ATOM 1227 CG ARG A 78 21.289 8.813 3.472 1.00 0.00 C ATOM 1228 CD ARG A 78 21.187 7.879 4.667 1.00 0.00 C ATOM 1229 NE ARG A 78 22.379 7.937 5.510 1.00 0.00 N ATOM 1230 CZ ARG A 78 22.764 6.946 6.307 1.00 0.00 C ATOM 1231 NH1 ARG A 78 22.056 5.827 6.369 1.00 0.00 N ATOM 1232 NH2 ARG A 78 23.861 7.074 7.043 1.00 0.00 N ATOM 0 H ARG A 78 19.295 10.154 1.864 1.00 0.00 H new ATOM 0 HA ARG A 78 20.818 12.218 3.046 1.00 0.00 H new ATOM 0 HB2 ARG A 78 21.372 10.586 4.667 1.00 0.00 H new ATOM 0 HB3 ARG A 78 19.760 10.159 4.129 1.00 0.00 H new ATOM 0 HG2 ARG A 78 20.700 8.415 2.646 1.00 0.00 H new ATOM 0 HG3 ARG A 78 22.324 8.859 3.132 1.00 0.00 H new ATOM 0 HD2 ARG A 78 20.311 8.143 5.259 1.00 0.00 H new ATOM 0 HD3 ARG A 78 21.040 6.857 4.317 1.00 0.00 H new ATOM 0 HE ARG A 78 22.946 8.784 5.485 1.00 0.00 H new ATOM 0 HH11 ARG A 78 21.213 5.725 5.804 1.00 0.00 H new ATOM 0 HH12 ARG A 78 22.354 5.068 6.982 1.00 0.00 H new ATOM 0 HH21 ARG A 78 24.409 7.933 6.997 1.00 0.00 H new ATOM 0 HH22 ARG A 78 24.156 6.313 7.655 1.00 0.00 H new ATOM 1246 N MET A 79 22.380 10.271 0.956 1.00 0.00 N ATOM 1247 CA MET A 79 23.636 10.064 0.245 1.00 0.00 C ATOM 1248 C MET A 79 23.857 11.155 -0.798 1.00 0.00 C ATOM 1249 O MET A 79 24.939 11.735 -0.883 1.00 0.00 O ATOM 1250 CB MET A 79 23.645 8.690 -0.428 1.00 0.00 C ATOM 1251 CG MET A 79 23.726 7.533 0.555 1.00 0.00 C ATOM 1252 SD MET A 79 24.036 5.953 -0.257 1.00 0.00 S ATOM 1253 CE MET A 79 22.640 5.868 -1.377 1.00 0.00 C ATOM 0 H MET A 79 21.589 9.750 0.576 1.00 0.00 H new ATOM 0 HA MET A 79 24.448 10.111 0.971 1.00 0.00 H new ATOM 0 HB2 MET A 79 22.742 8.583 -1.029 1.00 0.00 H new ATOM 0 HB3 MET A 79 24.492 8.635 -1.112 1.00 0.00 H new ATOM 0 HG2 MET A 79 24.520 7.729 1.276 1.00 0.00 H new ATOM 0 HG3 MET A 79 22.794 7.472 1.116 1.00 0.00 H new ATOM 0 HE1 MET A 79 22.641 4.905 -1.888 1.00 0.00 H new ATOM 0 HE2 MET A 79 21.714 5.979 -0.813 1.00 0.00 H new ATOM 0 HE3 MET A 79 22.715 6.669 -2.113 1.00 0.00 H new ATOM 1263 N ASN A 80 22.825 11.430 -1.589 1.00 0.00 N ATOM 1264 CA ASN A 80 22.907 12.451 -2.627 1.00 0.00 C ATOM 1265 C ASN A 80 22.812 13.849 -2.023 1.00 0.00 C ATOM 1266 O ASN A 80 23.760 14.632 -2.092 1.00 0.00 O ATOM 1267 CB ASN A 80 21.794 12.251 -3.657 1.00 0.00 C ATOM 1268 CG ASN A 80 22.080 11.099 -4.601 1.00 0.00 C ATOM 1269 OD1 ASN A 80 22.375 11.304 -5.778 1.00 0.00 O ATOM 1270 ND2 ASN A 80 21.992 9.878 -4.086 1.00 0.00 N ATOM 0 H ASN A 80 21.922 10.960 -1.531 1.00 0.00 H new ATOM 0 HA ASN A 80 23.873 12.354 -3.123 1.00 0.00 H new ATOM 0 HB2 ASN A 80 20.852 12.068 -3.139 1.00 0.00 H new ATOM 0 HB3 ASN A 80 21.668 13.167 -4.234 1.00 0.00 H new ATOM 0 HD21 ASN A 80 22.172 9.063 -4.672 1.00 0.00 H new ATOM 0 HD22 ASN A 80 21.744 9.755 -3.104 1.00 0.00 H new ATOM 1277 N SER A 81 21.662 14.155 -1.430 1.00 0.00 N ATOM 1278 CA SER A 81 21.442 15.459 -0.817 1.00 0.00 C ATOM 1279 C SER A 81 22.447 15.709 0.303 1.00 0.00 C ATOM 1280 O SER A 81 23.197 16.684 0.273 1.00 0.00 O ATOM 1281 CB SER A 81 20.016 15.554 -0.270 1.00 0.00 C ATOM 1282 OG SER A 81 19.691 16.890 0.075 1.00 0.00 O ATOM 0 H SER A 81 20.869 13.517 -1.361 1.00 0.00 H new ATOM 0 HA SER A 81 21.581 16.222 -1.583 1.00 0.00 H new ATOM 0 HB2 SER A 81 19.312 15.186 -1.016 1.00 0.00 H new ATOM 0 HB3 SER A 81 19.916 14.914 0.607 1.00 0.00 H new ATOM 0 HG SER A 81 18.775 16.925 0.420 1.00 0.00 H new ATOM 1288 N GLY A 82 22.454 14.821 1.293 1.00 0.00 N ATOM 1289 CA GLY A 82 23.370 14.963 2.410 1.00 0.00 C ATOM 1290 C GLY A 82 22.768 15.750 3.557 1.00 0.00 C ATOM 1291 O GLY A 82 21.560 15.720 3.791 1.00 0.00 O ATOM 0 H GLY A 82 21.842 14.006 1.341 1.00 0.00 H new ATOM 0 HA2 GLY A 82 23.661 13.974 2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 82 24.279 15.460 2.070 1.00 0.00 H new ATOM 1295 N PRO A 83 23.623 16.473 4.295 1.00 0.00 N ATOM 1296 CA PRO A 83 23.191 17.285 5.437 1.00 0.00 C ATOM 1297 C PRO A 83 22.377 18.501 5.009 1.00 0.00 C ATOM 1298 O PRO A 83 22.930 19.492 4.531 1.00 0.00 O ATOM 1299 CB PRO A 83 24.509 17.722 6.081 1.00 0.00 C ATOM 1300 CG PRO A 83 25.503 17.682 4.972 1.00 0.00 C ATOM 1301 CD PRO A 83 25.076 16.555 4.073 1.00 0.00 C ATOM 0 HA PRO A 83 22.537 16.728 6.109 1.00 0.00 H new ATOM 0 HB2 PRO A 83 24.430 18.723 6.506 1.00 0.00 H new ATOM 0 HB3 PRO A 83 24.794 17.053 6.893 1.00 0.00 H new ATOM 0 HG2 PRO A 83 25.521 18.628 4.430 1.00 0.00 H new ATOM 0 HG3 PRO A 83 26.509 17.515 5.356 1.00 0.00 H new ATOM 0 HD2 PRO A 83 25.312 16.762 3.029 1.00 0.00 H new ATOM 0 HD3 PRO A 83 25.576 15.622 4.333 1.00 0.00 H new ATOM 1309 N SER A 84 21.062 18.420 5.185 1.00 0.00 N ATOM 1310 CA SER A 84 20.172 19.514 4.814 1.00 0.00 C ATOM 1311 C SER A 84 20.816 20.864 5.115 1.00 0.00 C ATOM 1312 O SER A 84 20.821 21.320 6.259 1.00 0.00 O ATOM 1313 CB SER A 84 18.842 19.392 5.559 1.00 0.00 C ATOM 1314 OG SER A 84 18.252 18.121 5.346 1.00 0.00 O ATOM 0 H SER A 84 20.589 17.608 5.582 1.00 0.00 H new ATOM 0 HA SER A 84 19.986 19.451 3.742 1.00 0.00 H new ATOM 0 HB2 SER A 84 19.004 19.547 6.626 1.00 0.00 H new ATOM 0 HB3 SER A 84 18.161 20.174 5.223 1.00 0.00 H new ATOM 0 HG SER A 84 17.404 18.068 5.834 1.00 0.00 H new ATOM 1320 N SER A 85 21.358 21.498 4.081 1.00 0.00 N ATOM 1321 CA SER A 85 22.008 22.795 4.234 1.00 0.00 C ATOM 1322 C SER A 85 21.266 23.871 3.447 1.00 0.00 C ATOM 1323 O SER A 85 20.772 24.843 4.016 1.00 0.00 O ATOM 1324 CB SER A 85 23.463 22.718 3.768 1.00 0.00 C ATOM 1325 OG SER A 85 24.258 22.000 4.695 1.00 0.00 O ATOM 0 H SER A 85 21.360 21.135 3.128 1.00 0.00 H new ATOM 0 HA SER A 85 21.986 23.062 5.290 1.00 0.00 H new ATOM 0 HB2 SER A 85 23.511 22.234 2.792 1.00 0.00 H new ATOM 0 HB3 SER A 85 23.862 23.725 3.645 1.00 0.00 H new ATOM 0 HG SER A 85 23.917 21.085 4.778 1.00 0.00 H new ATOM 1331 N GLY A 86 21.193 23.689 2.132 1.00 0.00 N ATOM 1332 CA GLY A 86 20.510 24.651 1.286 1.00 0.00 C ATOM 1333 C GLY A 86 21.400 25.815 0.899 1.00 0.00 C ATOM 1334 O GLY A 86 22.035 26.401 1.774 1.00 0.00 O ATOM 0 H GLY A 86 21.595 22.893 1.637 1.00 0.00 H new ATOM 0 HA2 GLY A 86 20.157 24.151 0.384 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.630 25.028 1.807 1.00 0.00 H new TER 1338 GLY A 86 HETATM 1339 ZN ZN A 201 -2.644 18.586 -1.293 1.00 0.00 ZN HETATM 1340 ZN ZN A 401 7.100 7.021 -1.818 1.00 0.00 ZN