USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 427 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 15 CYS SG : rot 149:sc= -1.86 USER MOD Set 1.2: A 18 HIS : no HD1:sc= -4.77! C(o=-20!,f=-28!) USER MOD Set 1.3: A 34 CYS SG : rot -131:sc= -4.29 USER MOD Set 1.4: A 37 CYS SG : rot -64:sc= -9.1! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.282 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -163:sc= 0 (180deg=-0.551) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.248 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -21.613 11.751 -9.663 1.00 0.00 N ATOM 2 CA ALA A 2 -21.017 12.979 -10.251 1.00 0.00 C ATOM 3 C ALA A 2 -20.227 12.654 -11.513 1.00 0.00 C ATOM 4 O ALA A 2 -19.600 11.599 -11.611 1.00 0.00 O ATOM 5 CB ALA A 2 -20.123 13.670 -9.232 1.00 0.00 C ATOM 0 HA ALA A 2 -21.829 13.653 -10.524 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -19.693 14.568 -9.675 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -20.713 13.944 -8.357 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -19.322 12.994 -8.933 1.00 0.00 H new ATOM 10 N SER A 3 -20.261 13.567 -12.478 1.00 0.00 N ATOM 11 CA SER A 3 -19.546 13.378 -13.735 1.00 0.00 C ATOM 12 C SER A 3 -18.152 13.995 -13.668 1.00 0.00 C ATOM 13 O SER A 3 -17.783 14.814 -14.510 1.00 0.00 O ATOM 14 CB SER A 3 -20.338 13.991 -14.892 1.00 0.00 C ATOM 15 OG SER A 3 -21.310 13.085 -15.383 1.00 0.00 O ATOM 0 H SER A 3 -20.776 14.445 -12.414 1.00 0.00 H new ATOM 0 HA SER A 3 -19.438 12.307 -13.907 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.826 14.906 -14.558 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.657 14.269 -15.696 1.00 0.00 H new ATOM 0 HG SER A 3 -21.803 13.502 -16.120 1.00 0.00 H new ATOM 21 N THR A 4 -17.384 13.598 -12.659 1.00 0.00 N ATOM 22 CA THR A 4 -16.031 14.112 -12.481 1.00 0.00 C ATOM 23 C THR A 4 -15.137 13.072 -11.813 1.00 0.00 C ATOM 24 O THR A 4 -14.276 13.409 -11.000 1.00 0.00 O ATOM 25 CB THR A 4 -16.056 15.393 -11.646 1.00 0.00 C ATOM 26 OG1 THR A 4 -16.885 15.234 -10.509 1.00 0.00 O ATOM 27 CG2 THR A 4 -16.554 16.599 -12.413 1.00 0.00 C ATOM 0 H THR A 4 -17.675 12.922 -11.952 1.00 0.00 H new ATOM 0 HA THR A 4 -15.622 14.337 -13.466 1.00 0.00 H new ATOM 0 HB THR A 4 -15.020 15.570 -11.358 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.887 16.063 -9.987 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.546 17.473 -11.762 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.905 16.779 -13.270 1.00 0.00 H new ATOM 0 HG23 THR A 4 -17.570 16.415 -12.761 1.00 0.00 H new ATOM 35 N SER A 5 -15.349 11.807 -12.159 1.00 0.00 N ATOM 36 CA SER A 5 -14.563 10.718 -11.592 1.00 0.00 C ATOM 37 C SER A 5 -14.507 9.531 -12.549 1.00 0.00 C ATOM 38 O SER A 5 -15.531 8.922 -12.860 1.00 0.00 O ATOM 39 CB SER A 5 -15.155 10.278 -10.251 1.00 0.00 C ATOM 40 OG SER A 5 -14.258 9.434 -9.551 1.00 0.00 O ATOM 0 H SER A 5 -16.058 11.511 -12.829 1.00 0.00 H new ATOM 0 HA SER A 5 -13.548 11.082 -11.432 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.382 11.155 -9.645 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.096 9.754 -10.419 1.00 0.00 H new ATOM 0 HG SER A 5 -14.658 9.168 -8.697 1.00 0.00 H new ATOM 46 N ARG A 6 -13.305 9.209 -13.014 1.00 0.00 N ATOM 47 CA ARG A 6 -13.114 8.095 -13.936 1.00 0.00 C ATOM 48 C ARG A 6 -12.559 6.875 -13.208 1.00 0.00 C ATOM 49 O ARG A 6 -12.845 5.737 -13.579 1.00 0.00 O ATOM 50 CB ARG A 6 -12.171 8.500 -15.070 1.00 0.00 C ATOM 51 CG ARG A 6 -12.872 9.195 -16.226 1.00 0.00 C ATOM 52 CD ARG A 6 -11.878 9.870 -17.156 1.00 0.00 C ATOM 53 NE ARG A 6 -12.460 10.159 -18.464 1.00 0.00 N ATOM 54 CZ ARG A 6 -13.278 11.182 -18.701 1.00 0.00 C ATOM 55 NH1 ARG A 6 -13.612 12.015 -17.723 1.00 0.00 N ATOM 56 NH2 ARG A 6 -13.763 11.374 -19.921 1.00 0.00 N ATOM 0 H ARG A 6 -12.448 9.704 -12.768 1.00 0.00 H new ATOM 0 HA ARG A 6 -14.085 7.834 -14.357 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -11.401 9.161 -14.672 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -11.664 7.611 -15.445 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -13.460 8.468 -16.786 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -13.569 9.937 -15.837 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -11.529 10.797 -16.702 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -11.006 9.228 -17.281 1.00 0.00 H new ATOM 0 HE ARG A 6 -12.226 9.541 -19.241 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -13.241 11.873 -16.783 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -14.239 12.797 -17.911 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -13.509 10.738 -20.677 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -14.390 12.158 -20.103 1.00 0.00 H new ATOM 70 N LEU A 7 -11.766 7.122 -12.171 1.00 0.00 N ATOM 71 CA LEU A 7 -11.171 6.042 -11.391 1.00 0.00 C ATOM 72 C LEU A 7 -12.199 5.420 -10.451 1.00 0.00 C ATOM 73 O LEU A 7 -12.161 5.637 -9.240 1.00 0.00 O ATOM 74 CB LEU A 7 -9.976 6.563 -10.590 1.00 0.00 C ATOM 75 CG LEU A 7 -8.635 6.515 -11.322 1.00 0.00 C ATOM 76 CD1 LEU A 7 -8.691 7.349 -12.593 1.00 0.00 C ATOM 77 CD2 LEU A 7 -7.515 6.998 -10.413 1.00 0.00 C ATOM 0 H LEU A 7 -11.520 8.059 -11.851 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.827 5.273 -12.083 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.176 7.594 -10.297 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.892 5.981 -9.672 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.430 5.481 -11.600 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.728 7.303 -13.101 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.467 6.958 -13.251 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.918 8.384 -12.339 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.567 6.957 -10.950 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.714 8.024 -10.105 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.460 6.359 -9.532 1.00 0.00 H new ATOM 89 N ASP A 8 -13.119 4.646 -11.019 1.00 0.00 N ATOM 90 CA ASP A 8 -14.159 3.992 -10.232 1.00 0.00 C ATOM 91 C ASP A 8 -14.087 2.477 -10.392 1.00 0.00 C ATOM 92 O ASP A 8 -14.875 1.881 -11.127 1.00 0.00 O ATOM 93 CB ASP A 8 -15.540 4.497 -10.654 1.00 0.00 C ATOM 94 CG ASP A 8 -15.722 4.495 -12.159 1.00 0.00 C ATOM 95 OD1 ASP A 8 -16.020 3.421 -12.720 1.00 0.00 O ATOM 96 OD2 ASP A 8 -15.566 5.570 -12.777 1.00 0.00 O ATOM 0 H ASP A 8 -13.165 4.457 -12.020 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.996 4.237 -9.182 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -16.307 3.872 -10.197 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -15.685 5.508 -10.275 1.00 0.00 H new ATOM 101 N ALA A 9 -13.138 1.858 -9.698 1.00 0.00 N ATOM 102 CA ALA A 9 -12.964 0.413 -9.762 1.00 0.00 C ATOM 103 C ALA A 9 -11.929 -0.061 -8.747 1.00 0.00 C ATOM 104 O ALA A 9 -10.820 0.468 -8.685 1.00 0.00 O ATOM 105 CB ALA A 9 -12.561 -0.008 -11.167 1.00 0.00 C ATOM 0 H ALA A 9 -12.478 2.335 -9.085 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.917 -0.055 -9.514 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.434 -1.090 -11.200 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -13.337 0.288 -11.872 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.622 0.476 -11.436 1.00 0.00 H new ATOM 111 N LEU A 10 -12.301 -1.061 -7.955 1.00 0.00 N ATOM 112 CA LEU A 10 -11.405 -1.608 -6.943 1.00 0.00 C ATOM 113 C LEU A 10 -10.191 -2.272 -7.592 1.00 0.00 C ATOM 114 O LEU A 10 -10.335 -3.054 -8.531 1.00 0.00 O ATOM 115 CB LEU A 10 -12.149 -2.620 -6.069 1.00 0.00 C ATOM 116 CG LEU A 10 -11.799 -2.575 -4.581 1.00 0.00 C ATOM 117 CD1 LEU A 10 -12.394 -1.337 -3.930 1.00 0.00 C ATOM 118 CD2 LEU A 10 -12.287 -3.836 -3.882 1.00 0.00 C ATOM 0 H LEU A 10 -13.217 -1.509 -7.994 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.056 -0.786 -6.318 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -13.220 -2.453 -6.179 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -11.942 -3.622 -6.445 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.715 -2.525 -4.482 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.134 -1.322 -2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.996 -0.445 -4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -13.479 -1.355 -4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.030 -3.788 -2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -13.369 -3.916 -3.989 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -11.812 -4.708 -4.332 1.00 0.00 H new ATOM 130 N PRO A 11 -8.975 -1.971 -7.100 1.00 0.00 N ATOM 131 CA PRO A 11 -7.742 -2.550 -7.644 1.00 0.00 C ATOM 132 C PRO A 11 -7.720 -4.071 -7.529 1.00 0.00 C ATOM 133 O PRO A 11 -7.641 -4.778 -8.534 1.00 0.00 O ATOM 134 CB PRO A 11 -6.632 -1.930 -6.785 1.00 0.00 C ATOM 135 CG PRO A 11 -7.316 -1.428 -5.558 1.00 0.00 C ATOM 136 CD PRO A 11 -8.706 -1.052 -5.983 1.00 0.00 C ATOM 0 HA PRO A 11 -7.633 -2.340 -8.708 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.869 -2.668 -6.536 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.131 -1.120 -7.315 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.339 -2.194 -4.783 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.790 -0.569 -5.142 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.424 -1.181 -5.173 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.763 -0.010 -6.296 1.00 0.00 H new ATOM 144 N ARG A 12 -7.790 -4.569 -6.299 1.00 0.00 N ATOM 145 CA ARG A 12 -7.779 -6.006 -6.053 1.00 0.00 C ATOM 146 C ARG A 12 -8.475 -6.337 -4.737 1.00 0.00 C ATOM 147 O ARG A 12 -9.547 -6.940 -4.730 1.00 0.00 O ATOM 148 CB ARG A 12 -6.341 -6.529 -6.031 1.00 0.00 C ATOM 149 CG ARG A 12 -5.844 -7.000 -7.388 1.00 0.00 C ATOM 150 CD ARG A 12 -5.099 -5.897 -8.122 1.00 0.00 C ATOM 151 NE ARG A 12 -5.391 -5.897 -9.553 1.00 0.00 N ATOM 152 CZ ARG A 12 -5.169 -4.859 -10.356 1.00 0.00 C ATOM 153 NH1 ARG A 12 -4.652 -3.736 -9.873 1.00 0.00 N ATOM 154 NH2 ARG A 12 -5.464 -4.944 -11.646 1.00 0.00 N ATOM 0 H ARG A 12 -7.855 -3.998 -5.456 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.322 -6.494 -6.862 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.682 -5.741 -5.666 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.274 -7.355 -5.322 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.187 -7.860 -7.258 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.689 -7.333 -7.991 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.371 -4.931 -7.697 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.027 -6.021 -7.971 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.789 -6.743 -9.961 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.423 -3.665 -8.882 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.484 -2.944 -10.493 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.861 -5.805 -12.023 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.294 -4.149 -12.262 1.00 0.00 H new ATOM 168 N VAL A 13 -7.850 -5.935 -3.627 1.00 0.00 N ATOM 169 CA VAL A 13 -8.385 -6.175 -2.283 1.00 0.00 C ATOM 170 C VAL A 13 -7.921 -7.522 -1.722 1.00 0.00 C ATOM 171 O VAL A 13 -7.948 -7.736 -0.510 1.00 0.00 O ATOM 172 CB VAL A 13 -9.935 -6.085 -2.243 1.00 0.00 C ATOM 173 CG1 VAL A 13 -10.587 -7.464 -2.311 1.00 0.00 C ATOM 174 CG2 VAL A 13 -10.390 -5.341 -0.996 1.00 0.00 C ATOM 0 H VAL A 13 -6.961 -5.435 -3.634 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.987 -5.381 -1.651 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.255 -5.529 -3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.671 -7.356 -2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.298 -7.958 -3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.258 -8.064 -1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.479 -5.286 -0.982 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.042 -5.871 -0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.976 -4.333 -1.002 1.00 0.00 H new ATOM 184 N THR A 14 -7.494 -8.422 -2.604 1.00 0.00 N ATOM 185 CA THR A 14 -7.023 -9.738 -2.183 1.00 0.00 C ATOM 186 C THR A 14 -6.374 -10.483 -3.345 1.00 0.00 C ATOM 187 O THR A 14 -6.386 -10.014 -4.484 1.00 0.00 O ATOM 188 CB THR A 14 -8.180 -10.566 -1.620 1.00 0.00 C ATOM 189 OG1 THR A 14 -9.406 -10.207 -2.243 1.00 0.00 O ATOM 190 CG2 THR A 14 -8.349 -10.418 -0.120 1.00 0.00 C ATOM 0 H THR A 14 -7.464 -8.265 -3.611 1.00 0.00 H new ATOM 0 HA THR A 14 -6.276 -9.592 -1.403 1.00 0.00 H new ATOM 0 HB THR A 14 -7.926 -11.604 -1.833 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.133 -10.748 -1.871 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.186 -11.031 0.214 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.438 -10.743 0.383 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.544 -9.374 0.123 1.00 0.00 H new ATOM 198 N CYS A 15 -5.806 -11.646 -3.047 1.00 0.00 N ATOM 199 CA CYS A 15 -5.148 -12.463 -4.059 1.00 0.00 C ATOM 200 C CYS A 15 -6.173 -13.218 -4.903 1.00 0.00 C ATOM 201 O CYS A 15 -7.122 -13.793 -4.370 1.00 0.00 O ATOM 202 CB CYS A 15 -4.190 -13.452 -3.395 1.00 0.00 C ATOM 203 SG CYS A 15 -3.063 -14.279 -4.540 1.00 0.00 S ATOM 0 H CYS A 15 -5.788 -12.045 -2.109 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.583 -11.801 -4.715 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.603 -12.923 -2.644 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.774 -14.207 -2.869 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.947 -14.549 -3.931 1.00 0.00 H new ATOM 209 N PRO A 16 -5.996 -13.234 -6.238 1.00 0.00 N ATOM 210 CA PRO A 16 -6.912 -13.931 -7.145 1.00 0.00 C ATOM 211 C PRO A 16 -6.874 -15.443 -6.954 1.00 0.00 C ATOM 212 O PRO A 16 -7.815 -16.149 -7.318 1.00 0.00 O ATOM 213 CB PRO A 16 -6.397 -13.556 -8.537 1.00 0.00 C ATOM 214 CG PRO A 16 -4.965 -13.209 -8.329 1.00 0.00 C ATOM 215 CD PRO A 16 -4.891 -12.582 -6.966 1.00 0.00 C ATOM 0 HA PRO A 16 -7.950 -13.646 -6.971 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.506 -14.385 -9.236 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.952 -12.714 -8.951 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.335 -14.097 -8.386 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.614 -12.519 -9.097 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.929 -12.767 -6.489 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.021 -11.501 -7.012 1.00 0.00 H new ATOM 223 N ASN A 17 -5.781 -15.936 -6.376 1.00 0.00 N ATOM 224 CA ASN A 17 -5.623 -17.364 -6.134 1.00 0.00 C ATOM 225 C ASN A 17 -5.821 -17.690 -4.656 1.00 0.00 C ATOM 226 O ASN A 17 -6.266 -18.783 -4.307 1.00 0.00 O ATOM 227 CB ASN A 17 -4.238 -17.830 -6.590 1.00 0.00 C ATOM 228 CG ASN A 17 -4.277 -18.534 -7.933 1.00 0.00 C ATOM 229 OD1 ASN A 17 -4.764 -17.983 -8.921 1.00 0.00 O ATOM 230 ND2 ASN A 17 -3.762 -19.756 -7.976 1.00 0.00 N ATOM 0 H ASN A 17 -4.993 -15.366 -6.067 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.384 -17.891 -6.710 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.571 -16.970 -6.653 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.820 -18.504 -5.842 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.759 -20.278 -8.852 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.369 -20.174 -7.133 1.00 0.00 H new ATOM 237 N HIS A 18 -5.493 -16.733 -3.794 1.00 0.00 N ATOM 238 CA HIS A 18 -5.640 -16.919 -2.355 1.00 0.00 C ATOM 239 C HIS A 18 -6.621 -15.911 -1.770 1.00 0.00 C ATOM 240 O HIS A 18 -6.219 -14.837 -1.324 1.00 0.00 O ATOM 241 CB HIS A 18 -4.295 -16.771 -1.651 1.00 0.00 C ATOM 242 CG HIS A 18 -3.233 -17.704 -2.138 1.00 0.00 C ATOM 243 ND1 HIS A 18 -2.036 -17.257 -2.636 1.00 0.00 N ATOM 244 CD2 HIS A 18 -3.179 -19.055 -2.183 1.00 0.00 C ATOM 245 CE1 HIS A 18 -1.282 -18.288 -2.973 1.00 0.00 C ATOM 246 NE2 HIS A 18 -1.952 -19.393 -2.706 1.00 0.00 N ATOM 0 H HIS A 18 -5.124 -15.822 -4.066 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.025 -17.926 -2.195 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.945 -15.746 -1.775 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.439 -16.931 -0.583 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.953 -19.739 -1.868 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.289 -18.236 -3.394 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -1.615 -20.343 -2.862 1.00 0.00 H new ATOM 255 N PRO A 19 -7.920 -16.241 -1.744 1.00 0.00 N ATOM 256 CA PRO A 19 -8.933 -15.348 -1.187 1.00 0.00 C ATOM 257 C PRO A 19 -8.628 -15.017 0.268 1.00 0.00 C ATOM 258 O PRO A 19 -8.937 -13.927 0.750 1.00 0.00 O ATOM 259 CB PRO A 19 -10.239 -16.146 -1.304 1.00 0.00 C ATOM 260 CG PRO A 19 -9.819 -17.562 -1.514 1.00 0.00 C ATOM 261 CD PRO A 19 -8.500 -17.503 -2.230 1.00 0.00 C ATOM 0 HA PRO A 19 -8.978 -14.392 -1.708 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.844 -16.045 -0.403 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.845 -15.788 -2.136 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.723 -18.085 -0.563 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.558 -18.105 -2.103 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.869 -18.358 -1.987 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.627 -17.499 -3.313 1.00 0.00 H new ATOM 269 N ASP A 20 -8.017 -15.974 0.961 1.00 0.00 N ATOM 270 CA ASP A 20 -7.664 -15.801 2.364 1.00 0.00 C ATOM 271 C ASP A 20 -6.363 -15.014 2.518 1.00 0.00 C ATOM 272 O ASP A 20 -6.224 -14.212 3.442 1.00 0.00 O ATOM 273 CB ASP A 20 -7.532 -17.164 3.046 1.00 0.00 C ATOM 274 CG ASP A 20 -8.877 -17.820 3.287 1.00 0.00 C ATOM 275 OD1 ASP A 20 -9.753 -17.173 3.898 1.00 0.00 O ATOM 276 OD2 ASP A 20 -9.055 -18.983 2.863 1.00 0.00 O ATOM 0 H ASP A 20 -7.756 -16.880 0.571 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.462 -15.233 2.842 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.917 -17.818 2.429 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.014 -17.043 3.997 1.00 0.00 H new ATOM 281 N ALA A 21 -5.411 -15.238 1.612 1.00 0.00 N ATOM 282 CA ALA A 21 -4.133 -14.534 1.668 1.00 0.00 C ATOM 283 C ALA A 21 -4.306 -13.072 1.276 1.00 0.00 C ATOM 284 O ALA A 21 -4.252 -12.719 0.097 1.00 0.00 O ATOM 285 CB ALA A 21 -3.106 -15.205 0.775 1.00 0.00 C ATOM 0 H ALA A 21 -5.500 -15.896 0.838 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.771 -14.575 2.695 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.163 -14.662 0.834 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.954 -16.233 1.104 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.462 -15.202 -0.255 1.00 0.00 H new ATOM 291 N ILE A 22 -4.550 -12.246 2.282 1.00 0.00 N ATOM 292 CA ILE A 22 -4.774 -10.822 2.073 1.00 0.00 C ATOM 293 C ILE A 22 -3.478 -10.042 1.862 1.00 0.00 C ATOM 294 O ILE A 22 -3.080 -9.246 2.710 1.00 0.00 O ATOM 295 CB ILE A 22 -5.560 -10.194 3.239 1.00 0.00 C ATOM 296 CG1 ILE A 22 -6.764 -11.066 3.609 1.00 0.00 C ATOM 297 CG2 ILE A 22 -6.010 -8.790 2.870 1.00 0.00 C ATOM 298 CD1 ILE A 22 -6.785 -11.485 5.063 1.00 0.00 C ATOM 0 H ILE A 22 -4.598 -12.539 3.258 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.364 -10.751 1.159 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.905 -10.133 4.108 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.680 -10.520 3.384 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.762 -11.958 2.983 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.565 -8.355 3.702 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.138 -8.173 2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.651 -8.833 1.989 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.665 -12.100 5.252 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.886 -12.059 5.289 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.819 -10.599 5.697 1.00 0.00 H new ATOM 310 N LEU A 23 -2.841 -10.292 0.712 1.00 0.00 N ATOM 311 CA LEU A 23 -1.587 -9.627 0.332 1.00 0.00 C ATOM 312 C LEU A 23 -1.293 -8.442 1.243 1.00 0.00 C ATOM 313 O LEU A 23 -2.109 -7.544 1.407 1.00 0.00 O ATOM 314 CB LEU A 23 -1.656 -9.158 -1.120 1.00 0.00 C ATOM 315 CG LEU A 23 -1.172 -10.180 -2.144 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.334 -10.746 -2.944 1.00 0.00 C ATOM 317 CD2 LEU A 23 -0.127 -9.571 -3.062 1.00 0.00 C ATOM 0 H LEU A 23 -3.179 -10.960 0.019 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.779 -10.351 0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.687 -8.891 -1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.061 -8.251 -1.223 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.708 -11.004 -1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.959 -11.472 -3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.036 -11.235 -2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.841 -9.938 -3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.203 -10.318 -3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.558 -8.721 -3.591 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.725 -9.236 -2.471 1.00 0.00 H new ATOM 329 N VAL A 24 -0.144 -8.454 1.869 1.00 0.00 N ATOM 330 CA VAL A 24 0.197 -7.391 2.785 1.00 0.00 C ATOM 331 C VAL A 24 0.826 -6.203 2.082 1.00 0.00 C ATOM 332 O VAL A 24 1.359 -6.319 0.985 1.00 0.00 O ATOM 333 CB VAL A 24 1.092 -7.920 3.903 1.00 0.00 C ATOM 334 CG1 VAL A 24 1.293 -6.871 4.987 1.00 0.00 C ATOM 335 CG2 VAL A 24 0.463 -9.184 4.468 1.00 0.00 C ATOM 0 H VAL A 24 0.566 -9.179 1.765 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.730 -7.028 3.228 1.00 0.00 H new ATOM 0 HB VAL A 24 2.079 -8.153 3.503 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.934 -7.275 5.770 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.761 -5.987 4.555 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.327 -6.599 5.413 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.090 -9.576 5.269 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.527 -8.953 4.862 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.374 -9.930 3.679 1.00 0.00 H new ATOM 345 N GLU A 25 0.732 -5.059 2.739 1.00 0.00 N ATOM 346 CA GLU A 25 1.249 -3.821 2.219 1.00 0.00 C ATOM 347 C GLU A 25 2.748 -3.781 2.377 1.00 0.00 C ATOM 348 O GLU A 25 3.278 -3.988 3.468 1.00 0.00 O ATOM 349 CB GLU A 25 0.607 -2.628 2.933 1.00 0.00 C ATOM 350 CG GLU A 25 -0.343 -1.832 2.053 1.00 0.00 C ATOM 351 CD GLU A 25 -0.082 -0.340 2.111 1.00 0.00 C ATOM 352 OE1 GLU A 25 1.091 0.052 2.284 1.00 0.00 O ATOM 353 OE2 GLU A 25 -1.051 0.439 1.984 1.00 0.00 O ATOM 0 H GLU A 25 0.290 -4.971 3.654 1.00 0.00 H new ATOM 0 HA GLU A 25 1.004 -3.759 1.159 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.064 -2.988 3.807 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.393 -1.966 3.296 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.249 -2.173 1.022 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.370 -2.029 2.362 1.00 0.00 H new ATOM 360 N ASP A 26 3.419 -3.503 1.282 1.00 0.00 N ATOM 361 CA ASP A 26 4.857 -3.415 1.259 1.00 0.00 C ATOM 362 C ASP A 26 5.539 -4.599 1.941 1.00 0.00 C ATOM 363 O ASP A 26 5.464 -4.765 3.158 1.00 0.00 O ATOM 364 CB ASP A 26 5.322 -2.101 1.883 1.00 0.00 C ATOM 365 CG ASP A 26 4.675 -0.893 1.238 1.00 0.00 C ATOM 366 OD1 ASP A 26 4.207 -1.014 0.086 1.00 0.00 O ATOM 367 OD2 ASP A 26 4.636 0.176 1.882 1.00 0.00 O ATOM 0 H ASP A 26 2.978 -3.331 0.379 1.00 0.00 H new ATOM 0 HA ASP A 26 5.154 -3.444 0.211 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.092 -2.107 2.948 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.405 -2.022 1.791 1.00 0.00 H new ATOM 372 N TYR A 27 6.229 -5.406 1.141 1.00 0.00 N ATOM 373 CA TYR A 27 6.951 -6.562 1.655 1.00 0.00 C ATOM 374 C TYR A 27 8.018 -7.017 0.666 1.00 0.00 C ATOM 375 O TYR A 27 7.886 -6.833 -0.544 1.00 0.00 O ATOM 376 CB TYR A 27 5.991 -7.706 1.973 1.00 0.00 C ATOM 377 CG TYR A 27 6.103 -8.202 3.397 1.00 0.00 C ATOM 378 CD1 TYR A 27 7.190 -8.966 3.803 1.00 0.00 C ATOM 379 CD2 TYR A 27 5.123 -7.905 4.336 1.00 0.00 C ATOM 380 CE1 TYR A 27 7.298 -9.422 5.102 1.00 0.00 C ATOM 381 CE2 TYR A 27 5.224 -8.357 5.639 1.00 0.00 C ATOM 382 CZ TYR A 27 6.312 -9.114 6.016 1.00 0.00 C ATOM 383 OH TYR A 27 6.416 -9.566 7.313 1.00 0.00 O ATOM 0 H TYR A 27 6.303 -5.279 0.132 1.00 0.00 H new ATOM 0 HA TYR A 27 7.446 -6.266 2.580 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.969 -7.375 1.790 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.185 -8.534 1.291 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.964 -9.208 3.090 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.269 -7.312 4.044 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.149 -10.016 5.400 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.454 -8.118 6.358 1.00 0.00 H new ATOM 0 HH TYR A 27 5.640 -9.261 7.829 1.00 0.00 H new ATOM 393 N ARG A 28 9.093 -7.594 1.205 1.00 0.00 N ATOM 394 CA ARG A 28 10.198 -8.052 0.380 1.00 0.00 C ATOM 395 C ARG A 28 10.701 -6.887 -0.456 1.00 0.00 C ATOM 396 O ARG A 28 11.059 -7.044 -1.623 1.00 0.00 O ATOM 397 CB ARG A 28 9.739 -9.201 -0.520 1.00 0.00 C ATOM 398 CG ARG A 28 10.865 -9.882 -1.278 1.00 0.00 C ATOM 399 CD ARG A 28 11.843 -10.573 -0.340 1.00 0.00 C ATOM 400 NE ARG A 28 11.330 -11.854 0.142 1.00 0.00 N ATOM 401 CZ ARG A 28 11.941 -12.596 1.063 1.00 0.00 C ATOM 402 NH1 ARG A 28 13.081 -12.186 1.608 1.00 0.00 N ATOM 403 NH2 ARG A 28 11.410 -13.750 1.442 1.00 0.00 N ATOM 0 H ARG A 28 9.216 -7.752 2.205 1.00 0.00 H new ATOM 0 HA ARG A 28 11.006 -8.419 1.012 1.00 0.00 H new ATOM 0 HB2 ARG A 28 9.225 -9.944 0.090 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.012 -8.819 -1.237 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.447 -10.613 -1.970 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.397 -9.144 -1.878 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.789 -10.733 -0.857 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.050 -9.923 0.510 1.00 0.00 H new ATOM 0 HE ARG A 28 10.454 -12.199 -0.250 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.493 -11.298 1.321 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.544 -12.759 2.313 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.534 -14.069 1.028 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.877 -14.319 2.148 1.00 0.00 H new ATOM 417 N ALA A 29 10.686 -5.702 0.149 1.00 0.00 N ATOM 418 CA ALA A 29 11.100 -4.494 -0.540 1.00 0.00 C ATOM 419 C ALA A 29 10.196 -4.271 -1.741 1.00 0.00 C ATOM 420 O ALA A 29 10.631 -3.767 -2.777 1.00 0.00 O ATOM 421 CB ALA A 29 12.555 -4.594 -0.974 1.00 0.00 C ATOM 0 H ALA A 29 10.391 -5.558 1.115 1.00 0.00 H new ATOM 0 HA ALA A 29 11.014 -3.645 0.138 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.845 -3.678 -1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.187 -4.733 -0.097 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.676 -5.442 -1.647 1.00 0.00 H new ATOM 427 N GLY A 30 8.934 -4.680 -1.603 1.00 0.00 N ATOM 428 CA GLY A 30 7.999 -4.542 -2.696 1.00 0.00 C ATOM 429 C GLY A 30 6.636 -4.009 -2.294 1.00 0.00 C ATOM 430 O GLY A 30 6.445 -3.517 -1.186 1.00 0.00 O ATOM 0 H GLY A 30 8.550 -5.101 -0.757 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.429 -3.876 -3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.869 -5.514 -3.172 1.00 0.00 H new ATOM 434 N ASP A 31 5.698 -4.117 -3.232 1.00 0.00 N ATOM 435 CA ASP A 31 4.323 -3.669 -3.055 1.00 0.00 C ATOM 436 C ASP A 31 3.559 -4.589 -2.113 1.00 0.00 C ATOM 437 O ASP A 31 3.909 -4.717 -0.942 1.00 0.00 O ATOM 438 CB ASP A 31 3.647 -3.569 -4.426 1.00 0.00 C ATOM 439 CG ASP A 31 4.428 -2.693 -5.385 1.00 0.00 C ATOM 440 OD1 ASP A 31 4.217 -1.463 -5.371 1.00 0.00 O ATOM 441 OD2 ASP A 31 5.249 -3.239 -6.151 1.00 0.00 O ATOM 0 H ASP A 31 5.877 -4.525 -4.150 1.00 0.00 H new ATOM 0 HA ASP A 31 4.322 -2.682 -2.592 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.542 -4.567 -4.851 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.641 -3.166 -4.305 1.00 0.00 H new ATOM 446 N MET A 32 2.507 -5.205 -2.610 1.00 0.00 N ATOM 447 CA MET A 32 1.687 -6.075 -1.805 1.00 0.00 C ATOM 448 C MET A 32 2.122 -7.528 -1.938 1.00 0.00 C ATOM 449 O MET A 32 2.132 -8.094 -3.022 1.00 0.00 O ATOM 450 CB MET A 32 0.262 -5.892 -2.254 1.00 0.00 C ATOM 451 CG MET A 32 -0.340 -4.573 -1.802 1.00 0.00 C ATOM 452 SD MET A 32 -2.139 -4.633 -1.692 1.00 0.00 S ATOM 453 CE MET A 32 -2.543 -5.471 -3.223 1.00 0.00 C ATOM 0 H MET A 32 2.200 -5.115 -3.579 1.00 0.00 H new ATOM 0 HA MET A 32 1.790 -5.819 -0.750 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.220 -5.950 -3.342 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.343 -6.712 -1.867 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.071 -4.305 -0.829 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.048 -3.787 -2.499 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.598 -5.321 -3.452 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.935 -5.065 -4.031 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.342 -6.537 -3.118 1.00 0.00 H new ATOM 463 N ILE A 33 2.533 -8.110 -0.835 1.00 0.00 N ATOM 464 CA ILE A 33 3.025 -9.471 -0.829 1.00 0.00 C ATOM 465 C ILE A 33 1.974 -10.456 -0.340 1.00 0.00 C ATOM 466 O ILE A 33 1.415 -10.300 0.741 1.00 0.00 O ATOM 467 CB ILE A 33 4.281 -9.532 0.067 1.00 0.00 C ATOM 468 CG1 ILE A 33 5.294 -10.565 -0.437 1.00 0.00 C ATOM 469 CG2 ILE A 33 3.898 -9.797 1.512 1.00 0.00 C ATOM 470 CD1 ILE A 33 5.122 -11.944 0.162 1.00 0.00 C ATOM 0 H ILE A 33 2.536 -7.658 0.079 1.00 0.00 H new ATOM 0 HA ILE A 33 3.272 -9.759 -1.851 1.00 0.00 H new ATOM 0 HB ILE A 33 4.768 -8.558 0.016 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.212 -10.639 -1.521 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.300 -10.208 -0.217 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.798 -9.836 2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.250 -8.997 1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.371 -10.749 1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.877 -12.615 -0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.235 -11.887 1.245 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.130 -12.325 -0.080 1.00 0.00 H new ATOM 482 N CYS A 34 1.708 -11.481 -1.134 1.00 0.00 N ATOM 483 CA CYS A 34 0.746 -12.486 -0.738 1.00 0.00 C ATOM 484 C CYS A 34 1.453 -13.543 0.088 1.00 0.00 C ATOM 485 O CYS A 34 2.085 -14.419 -0.471 1.00 0.00 O ATOM 486 CB CYS A 34 0.119 -13.133 -1.962 1.00 0.00 C ATOM 487 SG CYS A 34 -1.441 -13.974 -1.625 1.00 0.00 S ATOM 0 H CYS A 34 2.141 -11.635 -2.045 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.043 -12.016 -0.151 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.048 -12.368 -2.720 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.824 -13.850 -2.383 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.413 -15.165 -2.146 1.00 0.00 H new ATOM 493 N PRO A 35 1.351 -13.489 1.427 1.00 0.00 N ATOM 494 CA PRO A 35 2.004 -14.450 2.321 1.00 0.00 C ATOM 495 C PRO A 35 1.951 -15.889 1.813 1.00 0.00 C ATOM 496 O PRO A 35 2.728 -16.739 2.247 1.00 0.00 O ATOM 497 CB PRO A 35 1.221 -14.314 3.639 1.00 0.00 C ATOM 498 CG PRO A 35 0.147 -13.303 3.382 1.00 0.00 C ATOM 499 CD PRO A 35 0.587 -12.504 2.189 1.00 0.00 C ATOM 0 HA PRO A 35 3.069 -14.236 2.414 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.792 -15.270 3.938 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.875 -13.991 4.449 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.808 -13.792 3.190 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.006 -12.658 4.250 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.260 -12.118 1.622 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.197 -11.647 2.475 1.00 0.00 H new ATOM 507 N GLU A 36 1.016 -16.161 0.916 1.00 0.00 N ATOM 508 CA GLU A 36 0.836 -17.497 0.373 1.00 0.00 C ATOM 509 C GLU A 36 1.684 -17.707 -0.873 1.00 0.00 C ATOM 510 O GLU A 36 2.613 -18.510 -0.871 1.00 0.00 O ATOM 511 CB GLU A 36 -0.639 -17.724 0.046 1.00 0.00 C ATOM 512 CG GLU A 36 -1.457 -18.258 1.210 1.00 0.00 C ATOM 513 CD GLU A 36 -0.823 -19.467 1.870 1.00 0.00 C ATOM 514 OE1 GLU A 36 -0.022 -20.155 1.203 1.00 0.00 O ATOM 515 OE2 GLU A 36 -1.126 -19.726 3.053 1.00 0.00 O ATOM 0 H GLU A 36 0.366 -15.467 0.547 1.00 0.00 H new ATOM 0 HA GLU A 36 1.160 -18.218 1.124 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.075 -16.783 -0.289 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.712 -18.423 -0.787 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.582 -17.469 1.952 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.453 -18.524 0.856 1.00 0.00 H new ATOM 522 N CYS A 37 1.413 -16.942 -1.920 1.00 0.00 N ATOM 523 CA CYS A 37 2.207 -17.039 -3.142 1.00 0.00 C ATOM 524 C CYS A 37 3.362 -16.077 -3.024 1.00 0.00 C ATOM 525 O CYS A 37 4.360 -16.179 -3.732 1.00 0.00 O ATOM 526 CB CYS A 37 1.390 -16.724 -4.411 1.00 0.00 C ATOM 527 SG CYS A 37 -0.035 -15.657 -4.159 1.00 0.00 S ATOM 0 H CYS A 37 0.660 -16.255 -1.952 1.00 0.00 H new ATOM 0 HA CYS A 37 2.555 -18.067 -3.246 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.050 -16.256 -5.141 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.048 -17.663 -4.846 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.895 -16.256 -3.390 1.00 0.00 H new ATOM 533 N GLY A 38 3.190 -15.135 -2.110 1.00 0.00 N ATOM 534 CA GLY A 38 4.172 -14.122 -1.856 1.00 0.00 C ATOM 535 C GLY A 38 4.387 -13.240 -3.055 1.00 0.00 C ATOM 536 O GLY A 38 5.464 -12.676 -3.254 1.00 0.00 O ATOM 0 H GLY A 38 2.357 -15.061 -1.526 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.856 -13.513 -1.009 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.115 -14.592 -1.576 1.00 0.00 H new ATOM 540 N LEU A 39 3.336 -13.117 -3.848 1.00 0.00 N ATOM 541 CA LEU A 39 3.354 -12.298 -5.039 1.00 0.00 C ATOM 542 C LEU A 39 3.372 -10.829 -4.656 1.00 0.00 C ATOM 543 O LEU A 39 2.826 -10.453 -3.618 1.00 0.00 O ATOM 544 CB LEU A 39 2.108 -12.586 -5.861 1.00 0.00 C ATOM 545 CG LEU A 39 0.845 -11.912 -5.322 1.00 0.00 C ATOM 546 CD1 LEU A 39 0.517 -10.707 -6.148 1.00 0.00 C ATOM 547 CD2 LEU A 39 -0.318 -12.870 -5.306 1.00 0.00 C ATOM 0 H LEU A 39 2.446 -13.585 -3.680 1.00 0.00 H new ATOM 0 HA LEU A 39 4.246 -12.528 -5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.276 -12.256 -6.886 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.947 -13.664 -5.895 1.00 0.00 H new ATOM 0 HG LEU A 39 1.035 -11.600 -4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.384 -10.233 -5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.346 -10.001 -6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.349 -11.009 -7.182 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.202 -12.363 -4.918 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.516 -13.219 -6.319 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.079 -13.722 -4.669 1.00 0.00 H new ATOM 559 N VAL A 40 4.007 -10.012 -5.485 1.00 0.00 N ATOM 560 CA VAL A 40 4.108 -8.591 -5.228 1.00 0.00 C ATOM 561 C VAL A 40 3.266 -7.799 -6.213 1.00 0.00 C ATOM 562 O VAL A 40 3.501 -7.839 -7.420 1.00 0.00 O ATOM 563 CB VAL A 40 5.571 -8.119 -5.315 1.00 0.00 C ATOM 564 CG1 VAL A 40 5.690 -6.662 -4.907 1.00 0.00 C ATOM 565 CG2 VAL A 40 6.468 -8.997 -4.455 1.00 0.00 C ATOM 0 H VAL A 40 4.461 -10.317 -6.346 1.00 0.00 H new ATOM 0 HA VAL A 40 3.735 -8.415 -4.219 1.00 0.00 H new ATOM 0 HB VAL A 40 5.899 -8.208 -6.351 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.732 -6.349 -4.976 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.082 -6.047 -5.571 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.342 -6.542 -3.881 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.498 -8.648 -4.529 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.141 -8.944 -3.417 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.408 -10.028 -4.802 1.00 0.00 H new ATOM 575 N VAL A 41 2.285 -7.076 -5.692 1.00 0.00 N ATOM 576 CA VAL A 41 1.414 -6.275 -6.533 1.00 0.00 C ATOM 577 C VAL A 41 1.287 -4.853 -6.000 1.00 0.00 C ATOM 578 O VAL A 41 1.177 -4.631 -4.796 1.00 0.00 O ATOM 579 CB VAL A 41 0.001 -6.881 -6.643 1.00 0.00 C ATOM 580 CG1 VAL A 41 -0.963 -5.914 -7.316 1.00 0.00 C ATOM 581 CG2 VAL A 41 0.038 -8.197 -7.394 1.00 0.00 C ATOM 0 H VAL A 41 2.075 -7.029 -4.695 1.00 0.00 H new ATOM 0 HA VAL A 41 1.875 -6.261 -7.521 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.359 -7.068 -5.631 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.951 -6.370 -7.379 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.024 -4.996 -6.732 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.605 -5.683 -8.319 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.970 -8.607 -7.460 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.429 -8.032 -8.398 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.682 -8.900 -6.865 1.00 0.00 H new ATOM 591 N GLY A 42 1.282 -3.897 -6.914 1.00 0.00 N ATOM 592 CA GLY A 42 1.146 -2.510 -6.531 1.00 0.00 C ATOM 593 C GLY A 42 2.168 -1.622 -7.200 1.00 0.00 C ATOM 594 O GLY A 42 3.183 -2.101 -7.704 1.00 0.00 O ATOM 0 H GLY A 42 1.370 -4.058 -7.917 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.145 -2.162 -6.786 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.247 -2.424 -5.449 1.00 0.00 H new ATOM 598 N ASP A 43 1.900 -0.327 -7.198 1.00 0.00 N ATOM 599 CA ASP A 43 2.802 0.636 -7.806 1.00 0.00 C ATOM 600 C ASP A 43 2.345 2.062 -7.524 1.00 0.00 C ATOM 601 O ASP A 43 3.165 2.946 -7.275 1.00 0.00 O ATOM 602 CB ASP A 43 2.885 0.405 -9.316 1.00 0.00 C ATOM 603 CG ASP A 43 3.859 1.348 -9.994 1.00 0.00 C ATOM 604 OD1 ASP A 43 4.997 1.485 -9.497 1.00 0.00 O ATOM 605 OD2 ASP A 43 3.486 1.950 -11.023 1.00 0.00 O ATOM 0 H ASP A 43 1.064 0.082 -6.781 1.00 0.00 H new ATOM 0 HA ASP A 43 3.791 0.497 -7.369 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.188 -0.624 -9.507 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.895 0.532 -9.755 1.00 0.00 H new ATOM 610 N ARG A 44 1.031 2.283 -7.574 1.00 0.00 N ATOM 611 CA ARG A 44 0.459 3.607 -7.330 1.00 0.00 C ATOM 612 C ARG A 44 1.120 4.288 -6.135 1.00 0.00 C ATOM 613 O ARG A 44 1.117 3.757 -5.024 1.00 0.00 O ATOM 614 CB ARG A 44 -1.050 3.500 -7.102 1.00 0.00 C ATOM 615 CG ARG A 44 -1.858 3.485 -8.391 1.00 0.00 C ATOM 616 CD ARG A 44 -2.390 4.867 -8.734 1.00 0.00 C ATOM 617 NE ARG A 44 -1.812 5.385 -9.972 1.00 0.00 N ATOM 618 CZ ARG A 44 -2.359 6.358 -10.698 1.00 0.00 C ATOM 619 NH1 ARG A 44 -3.498 6.922 -10.316 1.00 0.00 N ATOM 620 NH2 ARG A 44 -1.767 6.767 -11.811 1.00 0.00 N ATOM 0 H ARG A 44 0.342 1.560 -7.782 1.00 0.00 H new ATOM 0 HA ARG A 44 0.646 4.217 -8.213 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.261 2.591 -6.539 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.377 4.338 -6.487 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.234 3.122 -9.208 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.690 2.788 -8.291 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.475 4.824 -8.831 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.170 5.553 -7.916 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.937 4.977 -10.300 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.960 6.611 -9.462 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.912 7.667 -10.877 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.892 6.336 -12.111 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.186 7.512 -12.367 1.00 0.00 H new ATOM 634 N VAL A 45 1.692 5.463 -6.375 1.00 0.00 N ATOM 635 CA VAL A 45 2.367 6.217 -5.327 1.00 0.00 C ATOM 636 C VAL A 45 1.920 7.679 -5.327 1.00 0.00 C ATOM 637 O VAL A 45 1.267 8.134 -6.265 1.00 0.00 O ATOM 638 CB VAL A 45 3.901 6.141 -5.497 1.00 0.00 C ATOM 639 CG1 VAL A 45 4.354 6.929 -6.719 1.00 0.00 C ATOM 640 CG2 VAL A 45 4.609 6.632 -4.243 1.00 0.00 C ATOM 0 H VAL A 45 1.701 5.914 -7.290 1.00 0.00 H new ATOM 0 HA VAL A 45 2.094 5.768 -4.372 1.00 0.00 H new ATOM 0 HB VAL A 45 4.171 5.096 -5.652 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.437 6.859 -6.816 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.883 6.518 -7.612 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.066 7.974 -6.605 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.688 6.569 -4.386 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.328 7.667 -4.048 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.319 6.012 -3.395 1.00 0.00 H new ATOM 650 N ILE A 46 2.273 8.405 -4.266 1.00 0.00 N ATOM 651 CA ILE A 46 1.914 9.817 -4.129 1.00 0.00 C ATOM 652 C ILE A 46 0.476 9.977 -3.651 1.00 0.00 C ATOM 653 O ILE A 46 -0.453 9.422 -4.238 1.00 0.00 O ATOM 654 CB ILE A 46 2.094 10.598 -5.449 1.00 0.00 C ATOM 655 CG1 ILE A 46 3.468 10.312 -6.060 1.00 0.00 C ATOM 656 CG2 ILE A 46 1.918 12.090 -5.208 1.00 0.00 C ATOM 657 CD1 ILE A 46 3.720 11.054 -7.355 1.00 0.00 C ATOM 0 H ILE A 46 2.812 8.035 -3.483 1.00 0.00 H new ATOM 0 HA ILE A 46 2.595 10.232 -3.386 1.00 0.00 H new ATOM 0 HB ILE A 46 1.331 10.268 -6.153 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.240 10.582 -5.340 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.561 9.241 -6.240 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.048 12.628 -6.147 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.919 12.280 -4.816 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.661 12.432 -4.488 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.712 10.804 -7.731 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.970 10.766 -8.091 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.660 12.128 -7.177 1.00 0.00 H new ATOM 669 N ASP A 47 0.302 10.743 -2.578 1.00 0.00 N ATOM 670 CA ASP A 47 -1.020 10.982 -2.014 1.00 0.00 C ATOM 671 C ASP A 47 -1.148 12.423 -1.526 1.00 0.00 C ATOM 672 O ASP A 47 -1.900 12.710 -0.595 1.00 0.00 O ATOM 673 CB ASP A 47 -1.289 10.012 -0.860 1.00 0.00 C ATOM 674 CG ASP A 47 -2.295 8.940 -1.229 1.00 0.00 C ATOM 675 OD1 ASP A 47 -3.507 9.170 -1.030 1.00 0.00 O ATOM 676 OD2 ASP A 47 -1.873 7.871 -1.716 1.00 0.00 O ATOM 0 H ASP A 47 1.062 11.209 -2.082 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.759 10.815 -2.797 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.353 9.540 -0.560 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.656 10.570 0.002 1.00 0.00 H new ATOM 681 N VAL A 48 -0.406 13.325 -2.162 1.00 0.00 N ATOM 682 CA VAL A 48 -0.435 14.735 -1.793 1.00 0.00 C ATOM 683 C VAL A 48 0.006 14.935 -0.347 1.00 0.00 C ATOM 684 O VAL A 48 -0.784 14.770 0.582 1.00 0.00 O ATOM 685 CB VAL A 48 -1.842 15.336 -1.976 1.00 0.00 C ATOM 686 CG1 VAL A 48 -1.809 16.843 -1.781 1.00 0.00 C ATOM 687 CG2 VAL A 48 -2.400 14.979 -3.344 1.00 0.00 C ATOM 0 H VAL A 48 0.222 13.104 -2.935 1.00 0.00 H new ATOM 0 HA VAL A 48 0.261 15.249 -2.457 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.500 14.911 -1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.812 17.249 -1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.455 17.072 -0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.136 17.290 -2.513 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.394 15.412 -3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.743 15.374 -4.119 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.463 13.895 -3.440 1.00 0.00 H new ATOM 697 N GLY A 49 1.274 15.290 -0.165 1.00 0.00 N ATOM 698 CA GLY A 49 1.799 15.505 1.171 1.00 0.00 C ATOM 699 C GLY A 49 2.812 16.632 1.222 1.00 0.00 C ATOM 700 O GLY A 49 3.701 16.638 2.074 1.00 0.00 O ATOM 0 H GLY A 49 1.947 15.433 -0.918 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.976 15.729 1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.264 14.586 1.527 1.00 0.00 H new ATOM 704 N SER A 50 2.677 17.589 0.310 1.00 0.00 N ATOM 705 CA SER A 50 3.587 18.726 0.254 1.00 0.00 C ATOM 706 C SER A 50 2.870 20.017 0.640 1.00 0.00 C ATOM 707 O SER A 50 2.695 20.915 -0.184 1.00 0.00 O ATOM 708 CB SER A 50 4.186 18.859 -1.148 1.00 0.00 C ATOM 709 OG SER A 50 5.504 19.377 -1.093 1.00 0.00 O ATOM 0 H SER A 50 1.945 17.599 -0.401 1.00 0.00 H new ATOM 0 HA SER A 50 4.391 18.551 0.969 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.195 17.885 -1.637 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.560 19.514 -1.754 1.00 0.00 H new ATOM 0 HG SER A 50 5.865 19.451 -2.001 1.00 0.00 H new ATOM 715 N GLU A 51 2.456 20.103 1.900 1.00 0.00 N ATOM 716 CA GLU A 51 1.757 21.282 2.396 1.00 0.00 C ATOM 717 C GLU A 51 1.972 21.453 3.897 1.00 0.00 C ATOM 718 O GLU A 51 1.053 21.256 4.691 1.00 0.00 O ATOM 719 CB GLU A 51 0.261 21.182 2.090 1.00 0.00 C ATOM 720 CG GLU A 51 -0.137 21.830 0.773 1.00 0.00 C ATOM 721 CD GLU A 51 -1.584 22.282 0.761 1.00 0.00 C ATOM 722 OE1 GLU A 51 -2.366 21.796 1.604 1.00 0.00 O ATOM 723 OE2 GLU A 51 -1.935 23.124 -0.092 1.00 0.00 O ATOM 0 H GLU A 51 2.593 19.370 2.596 1.00 0.00 H new ATOM 0 HA GLU A 51 2.166 22.155 1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.027 20.131 2.070 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.299 21.651 2.899 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.509 22.687 0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.026 21.122 -0.040 1.00 0.00 H new ATOM 730 N TRP A 52 3.195 21.821 4.276 1.00 0.00 N ATOM 731 CA TRP A 52 3.545 22.022 5.680 1.00 0.00 C ATOM 732 C TRP A 52 3.490 20.710 6.458 1.00 0.00 C ATOM 733 O TRP A 52 4.513 20.215 6.928 1.00 0.00 O ATOM 734 CB TRP A 52 2.613 23.053 6.324 1.00 0.00 C ATOM 735 CG TRP A 52 3.053 24.468 6.105 1.00 0.00 C ATOM 736 CD1 TRP A 52 3.963 25.167 6.844 1.00 0.00 C ATOM 737 CD2 TRP A 52 2.600 25.358 5.078 1.00 0.00 C ATOM 738 NE1 TRP A 52 4.105 26.437 6.340 1.00 0.00 N ATOM 739 CE2 TRP A 52 3.278 26.579 5.255 1.00 0.00 C ATOM 740 CE3 TRP A 52 1.688 25.241 4.024 1.00 0.00 C ATOM 741 CZ2 TRP A 52 3.074 27.673 4.418 1.00 0.00 C ATOM 742 CZ3 TRP A 52 1.485 26.328 3.195 1.00 0.00 C ATOM 743 CH2 TRP A 52 2.176 27.530 3.396 1.00 0.00 C ATOM 0 H TRP A 52 3.963 21.987 3.626 1.00 0.00 H new ATOM 0 HA TRP A 52 4.568 22.397 5.716 1.00 0.00 H new ATOM 0 HB2 TRP A 52 1.608 22.926 5.921 1.00 0.00 H new ATOM 0 HB3 TRP A 52 2.554 22.860 7.395 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.494 24.778 7.700 1.00 0.00 H new ATOM 0 HE1 TRP A 52 4.724 27.157 6.712 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.152 24.318 3.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 3.605 28.601 4.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 0.782 26.250 2.379 1.00 0.00 H new ATOM 0 HH2 TRP A 52 1.996 28.361 2.730 1.00 0.00 H new ATOM 754 N ARG A 53 2.290 20.153 6.591 1.00 0.00 N ATOM 755 CA ARG A 53 2.100 18.899 7.314 1.00 0.00 C ATOM 756 C ARG A 53 2.330 19.097 8.810 1.00 0.00 C ATOM 757 O ARG A 53 3.397 18.780 9.335 1.00 0.00 O ATOM 758 CB ARG A 53 3.043 17.819 6.772 1.00 0.00 C ATOM 759 CG ARG A 53 2.341 16.513 6.434 1.00 0.00 C ATOM 760 CD ARG A 53 2.786 15.383 7.350 1.00 0.00 C ATOM 761 NE ARG A 53 2.041 14.151 7.101 1.00 0.00 N ATOM 762 CZ ARG A 53 0.811 13.925 7.557 1.00 0.00 C ATOM 763 NH1 ARG A 53 0.185 14.842 8.284 1.00 0.00 N ATOM 764 NH2 ARG A 53 0.205 12.778 7.284 1.00 0.00 N ATOM 0 H ARG A 53 1.433 20.551 6.207 1.00 0.00 H new ATOM 0 HA ARG A 53 1.071 18.573 7.163 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.540 18.197 5.878 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.821 17.623 7.510 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.263 16.647 6.518 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.549 16.245 5.398 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.851 15.198 7.207 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.652 15.684 8.389 1.00 0.00 H new ATOM 0 HE ARG A 53 2.489 13.422 6.546 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.646 15.727 8.496 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.757 14.662 8.630 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.681 12.070 6.725 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.737 12.604 7.633 1.00 0.00 H new ATOM 778 N THR A 54 1.318 19.628 9.490 1.00 0.00 N ATOM 779 CA THR A 54 1.405 19.871 10.925 1.00 0.00 C ATOM 780 C THR A 54 0.018 19.842 11.563 1.00 0.00 C ATOM 781 O THR A 54 -0.940 19.355 10.963 1.00 0.00 O ATOM 782 CB THR A 54 2.079 21.220 11.193 1.00 0.00 C ATOM 783 OG1 THR A 54 2.822 21.643 10.062 1.00 0.00 O ATOM 784 CG2 THR A 54 3.021 21.193 12.377 1.00 0.00 C ATOM 0 H THR A 54 0.429 19.898 9.070 1.00 0.00 H new ATOM 0 HA THR A 54 2.007 19.079 11.371 1.00 0.00 H new ATOM 0 HB THR A 54 1.265 21.911 11.412 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.244 22.507 10.252 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.465 22.180 12.512 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.468 20.918 13.275 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.809 20.462 12.198 1.00 0.00 H new ATOM 792 N PHE A 55 -0.082 20.363 12.783 1.00 0.00 N ATOM 793 CA PHE A 55 -1.355 20.393 13.498 1.00 0.00 C ATOM 794 C PHE A 55 -2.316 21.390 12.857 1.00 0.00 C ATOM 795 O PHE A 55 -2.680 22.398 13.462 1.00 0.00 O ATOM 796 CB PHE A 55 -1.139 20.742 14.976 1.00 0.00 C ATOM 797 CG PHE A 55 -0.184 21.882 15.207 1.00 0.00 C ATOM 798 CD1 PHE A 55 -0.640 23.190 15.247 1.00 0.00 C ATOM 799 CD2 PHE A 55 1.170 21.644 15.389 1.00 0.00 C ATOM 800 CE1 PHE A 55 0.236 24.238 15.462 1.00 0.00 C ATOM 801 CE2 PHE A 55 2.049 22.687 15.604 1.00 0.00 C ATOM 802 CZ PHE A 55 1.581 23.986 15.641 1.00 0.00 C ATOM 0 H PHE A 55 0.701 20.769 13.296 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.797 19.399 13.436 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.101 20.992 15.423 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.766 19.859 15.496 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.692 23.393 15.109 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.542 20.630 15.362 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.132 25.253 15.490 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.101 22.487 15.743 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.267 24.803 15.810 1.00 0.00 H new ATOM 812 N SER A 56 -2.727 21.100 11.626 1.00 0.00 N ATOM 813 CA SER A 56 -3.648 21.969 10.901 1.00 0.00 C ATOM 814 C SER A 56 -3.036 23.350 10.687 1.00 0.00 C ATOM 815 O SER A 56 -2.180 23.787 11.455 1.00 0.00 O ATOM 816 CB SER A 56 -4.969 22.096 11.662 1.00 0.00 C ATOM 817 OG SER A 56 -5.959 22.720 10.863 1.00 0.00 O ATOM 0 H SER A 56 -2.437 20.270 11.110 1.00 0.00 H new ATOM 0 HA SER A 56 -3.841 21.521 9.926 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.313 21.108 11.967 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.814 22.675 12.572 1.00 0.00 H new ATOM 0 HG SER A 56 -6.794 22.788 11.371 1.00 0.00 H new ATOM 823 N ASN A 57 -3.480 24.031 9.636 1.00 0.00 N ATOM 824 CA ASN A 57 -2.977 25.363 9.319 1.00 0.00 C ATOM 825 C ASN A 57 -4.097 26.397 9.381 1.00 0.00 C ATOM 826 O ASN A 57 -5.111 26.271 8.695 1.00 0.00 O ATOM 827 CB ASN A 57 -2.335 25.372 7.930 1.00 0.00 C ATOM 828 CG ASN A 57 -1.098 26.245 7.871 1.00 0.00 C ATOM 829 OD1 ASN A 57 -0.028 25.859 8.340 1.00 0.00 O ATOM 830 ND2 ASN A 57 -1.239 27.432 7.291 1.00 0.00 N ATOM 0 H ASN A 57 -4.187 23.683 8.989 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.223 25.625 10.062 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.071 24.353 7.648 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.062 25.727 7.199 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.441 28.064 7.221 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.145 27.712 6.915 1.00 0.00 H new ATOM 837 N ASP A 58 -3.905 27.420 10.207 1.00 0.00 N ATOM 838 CA ASP A 58 -4.898 28.477 10.358 1.00 0.00 C ATOM 839 C ASP A 58 -4.227 29.816 10.652 1.00 0.00 C ATOM 840 O ASP A 58 -4.275 30.313 11.777 1.00 0.00 O ATOM 841 CB ASP A 58 -5.879 28.128 11.478 1.00 0.00 C ATOM 842 CG ASP A 58 -7.230 28.790 11.291 1.00 0.00 C ATOM 843 OD1 ASP A 58 -7.265 30.024 11.100 1.00 0.00 O ATOM 844 OD2 ASP A 58 -8.253 28.075 11.337 1.00 0.00 O ATOM 0 H ASP A 58 -3.071 27.539 10.782 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.445 28.564 9.419 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.010 27.047 11.519 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.457 28.434 12.435 1.00 0.00 H new ATOM 849 N LYS A 59 -3.600 30.394 9.632 1.00 0.00 N ATOM 850 CA LYS A 59 -2.919 31.674 9.781 1.00 0.00 C ATOM 851 C LYS A 59 -3.880 32.833 9.533 1.00 0.00 C ATOM 852 O LYS A 59 -4.671 32.750 8.570 1.00 0.00 O ATOM 853 CB LYS A 59 -1.733 31.758 8.815 1.00 0.00 C ATOM 854 CG LYS A 59 -0.388 31.868 9.514 1.00 0.00 C ATOM 855 CD LYS A 59 0.757 31.486 8.586 1.00 0.00 C ATOM 856 CE LYS A 59 1.350 30.135 8.955 1.00 0.00 C ATOM 857 NZ LYS A 59 2.751 30.259 9.446 1.00 0.00 N ATOM 0 H LYS A 59 -3.550 29.996 8.694 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.550 31.747 10.804 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.731 30.874 8.177 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.866 32.621 8.163 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.244 32.888 9.870 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.379 31.220 10.391 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.398 31.458 7.557 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.533 32.250 8.632 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.736 29.667 9.724 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.327 29.479 8.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.119 29.317 9.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.343 30.682 8.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.770 30.865 10.291 1.00 0.00 H new TER 871 LYS A 59