USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 548 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.0353 (180deg=-0.000921) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0282 USER MOD Single : A 6 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.24) USER MOD Single : A 8 HIS : no HD1:sc= -0.0138 X(o=-0.014,f=-0.014) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -174:sc= -0.059 (180deg=-0.155) USER MOD Single : A 21 SER OG : rot 58:sc= -0.274 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00367) USER MOD Single : A 43 GLN : amide:sc= -0.194 K(o=-0.19,f=-1.7!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 61 TYR OH : rot -162:sc= 0.0983 USER MOD Single : A 64 HIS : no HD1:sc= -0.287 X(o=-0.29,f=-0.0047) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0.27) USER MOD Single : A 66 TYR OH : rot -122:sc= -0.0216 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.539 2.695 -12.635 1.00 0.00 N ATOM 2 CA MET A 1 -1.638 3.796 -12.958 1.00 0.00 C ATOM 3 C MET A 1 -0.607 3.997 -11.852 1.00 0.00 C ATOM 4 O MET A 1 -0.892 3.772 -10.675 1.00 0.00 O ATOM 5 CB MET A 1 -2.432 5.086 -13.171 1.00 0.00 C ATOM 6 CG MET A 1 -3.289 5.072 -14.426 1.00 0.00 C ATOM 7 SD MET A 1 -4.006 6.685 -14.797 1.00 0.00 S ATOM 8 CE MET A 1 -3.743 6.773 -16.566 1.00 0.00 C ATOM 0 H1 MET A 1 -2.395 1.919 -13.312 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.341 2.356 -11.672 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.524 3.025 -12.690 1.00 0.00 H new ATOM 0 HA MET A 1 -1.112 3.545 -13.879 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.072 5.256 -12.306 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.738 5.925 -13.224 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.683 4.745 -15.271 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.089 4.342 -14.306 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.134 7.717 -16.946 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.676 6.711 -16.779 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.258 5.945 -17.052 1.00 0.00 H new ATOM 18 N VAL A 2 0.592 4.421 -12.237 1.00 0.00 N ATOM 19 CA VAL A 2 1.666 4.652 -11.278 1.00 0.00 C ATOM 20 C VAL A 2 1.678 3.577 -10.197 1.00 0.00 C ATOM 21 O VAL A 2 1.927 3.862 -9.026 1.00 0.00 O ATOM 22 CB VAL A 2 1.533 6.034 -10.610 1.00 0.00 C ATOM 23 CG1 VAL A 2 0.273 6.098 -9.761 1.00 0.00 C ATOM 24 CG2 VAL A 2 2.766 6.341 -9.773 1.00 0.00 C ATOM 0 H VAL A 2 0.844 4.612 -13.207 1.00 0.00 H new ATOM 0 HA VAL A 2 2.602 4.614 -11.835 1.00 0.00 H new ATOM 0 HB VAL A 2 1.454 6.790 -11.391 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.196 7.081 -9.297 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.599 5.925 -10.391 1.00 0.00 H new ATOM 0 HG13 VAL A 2 0.318 5.334 -8.985 1.00 0.00 H new ATOM 0 HG21 VAL A 2 2.656 7.321 -9.308 1.00 0.00 H new ATOM 0 HG22 VAL A 2 2.878 5.582 -8.998 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.649 6.340 -10.412 1.00 0.00 H new ATOM 34 N SER A 3 1.410 2.339 -10.599 1.00 0.00 N ATOM 35 CA SER A 3 1.387 1.220 -9.664 1.00 0.00 C ATOM 36 C SER A 3 2.727 1.083 -8.947 1.00 0.00 C ATOM 37 O SER A 3 3.681 0.527 -9.491 1.00 0.00 O ATOM 38 CB SER A 3 1.055 -0.080 -10.399 1.00 0.00 C ATOM 39 OG SER A 3 0.142 0.152 -11.458 1.00 0.00 O ATOM 0 H SER A 3 1.206 2.085 -11.566 1.00 0.00 H new ATOM 0 HA SER A 3 0.615 1.417 -8.920 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.970 -0.522 -10.794 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.630 -0.799 -9.699 1.00 0.00 H new ATOM 0 HG SER A 3 -0.053 -0.694 -11.913 1.00 0.00 H new ATOM 45 N ARG A 4 2.790 1.595 -7.722 1.00 0.00 N ATOM 46 CA ARG A 4 4.012 1.533 -6.930 1.00 0.00 C ATOM 47 C ARG A 4 4.188 0.150 -6.310 1.00 0.00 C ATOM 48 O ARG A 4 5.307 -0.278 -6.027 1.00 0.00 O ATOM 49 CB ARG A 4 3.989 2.597 -5.831 1.00 0.00 C ATOM 50 CG ARG A 4 3.001 2.298 -4.715 1.00 0.00 C ATOM 51 CD ARG A 4 3.043 3.367 -3.634 1.00 0.00 C ATOM 52 NE ARG A 4 2.670 4.681 -4.150 1.00 0.00 N ATOM 53 CZ ARG A 4 1.417 5.046 -4.397 1.00 0.00 C ATOM 54 NH1 ARG A 4 0.421 4.199 -4.177 1.00 0.00 N ATOM 55 NH2 ARG A 4 1.158 6.260 -4.866 1.00 0.00 N ATOM 0 H ARG A 4 2.009 2.057 -7.257 1.00 0.00 H new ATOM 0 HA ARG A 4 4.855 1.725 -7.594 1.00 0.00 H new ATOM 0 HB2 ARG A 4 4.988 2.689 -5.405 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.742 3.561 -6.275 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.994 2.234 -5.127 1.00 0.00 H new ATOM 0 HG3 ARG A 4 3.228 1.326 -4.277 1.00 0.00 H new ATOM 0 HD2 ARG A 4 2.368 3.090 -2.824 1.00 0.00 H new ATOM 0 HD3 ARG A 4 4.046 3.415 -3.210 1.00 0.00 H new ATOM 0 HE ARG A 4 3.413 5.356 -4.331 1.00 0.00 H new ATOM 0 HH11 ARG A 4 0.616 3.265 -3.817 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -0.540 4.482 -4.367 1.00 0.00 H new ATOM 0 HH21 ARG A 4 1.922 6.914 -5.037 1.00 0.00 H new ATOM 0 HH22 ARG A 4 0.195 6.539 -5.055 1.00 0.00 H new ATOM 69 N ASP A 5 3.074 -0.544 -6.100 1.00 0.00 N ATOM 70 CA ASP A 5 3.104 -1.879 -5.514 1.00 0.00 C ATOM 71 C ASP A 5 4.077 -2.782 -6.267 1.00 0.00 C ATOM 72 O ASP A 5 4.244 -2.654 -7.479 1.00 0.00 O ATOM 73 CB ASP A 5 1.705 -2.496 -5.524 1.00 0.00 C ATOM 74 CG ASP A 5 0.863 -2.039 -4.348 1.00 0.00 C ATOM 75 OD1 ASP A 5 0.772 -0.814 -4.123 1.00 0.00 O ATOM 76 OD2 ASP A 5 0.294 -2.907 -3.654 1.00 0.00 O ATOM 0 H ASP A 5 2.140 -0.204 -6.327 1.00 0.00 H new ATOM 0 HA ASP A 5 3.445 -1.788 -4.483 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.201 -2.231 -6.453 1.00 0.00 H new ATOM 0 HB3 ASP A 5 1.790 -3.583 -5.506 1.00 0.00 H new ATOM 81 N GLN A 6 4.715 -3.693 -5.539 1.00 0.00 N ATOM 82 CA GLN A 6 5.672 -4.615 -6.139 1.00 0.00 C ATOM 83 C GLN A 6 5.058 -5.334 -7.336 1.00 0.00 C ATOM 84 O GLN A 6 3.838 -5.368 -7.493 1.00 0.00 O ATOM 85 CB GLN A 6 6.145 -5.637 -5.104 1.00 0.00 C ATOM 86 CG GLN A 6 7.518 -6.216 -5.404 1.00 0.00 C ATOM 87 CD GLN A 6 8.601 -5.157 -5.452 1.00 0.00 C ATOM 88 OE1 GLN A 6 9.086 -4.795 -6.524 1.00 0.00 O ATOM 89 NE2 GLN A 6 8.987 -4.652 -4.285 1.00 0.00 N ATOM 0 H GLN A 6 4.587 -3.812 -4.534 1.00 0.00 H new ATOM 0 HA GLN A 6 6.528 -4.036 -6.486 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.166 -5.164 -4.122 1.00 0.00 H new ATOM 0 HB3 GLN A 6 5.421 -6.450 -5.051 1.00 0.00 H new ATOM 0 HG2 GLN A 6 7.771 -6.954 -4.643 1.00 0.00 H new ATOM 0 HG3 GLN A 6 7.486 -6.741 -6.359 1.00 0.00 H new ATOM 0 HE21 GLN A 6 8.558 -4.981 -3.420 1.00 0.00 H new ATOM 0 HE22 GLN A 6 9.712 -3.935 -4.254 1.00 0.00 H new ATOM 98 N ALA A 7 5.913 -5.906 -8.178 1.00 0.00 N ATOM 99 CA ALA A 7 5.454 -6.625 -9.360 1.00 0.00 C ATOM 100 C ALA A 7 5.027 -8.046 -9.007 1.00 0.00 C ATOM 101 O ALA A 7 3.939 -8.488 -9.378 1.00 0.00 O ATOM 102 CB ALA A 7 6.546 -6.648 -10.420 1.00 0.00 C ATOM 0 H ALA A 7 6.926 -5.885 -8.063 1.00 0.00 H new ATOM 0 HA ALA A 7 4.585 -6.101 -9.759 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.190 -7.188 -11.297 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.801 -5.626 -10.702 1.00 0.00 H new ATOM 0 HB3 ALA A 7 7.430 -7.146 -10.021 1.00 0.00 H new ATOM 108 N HIS A 8 5.891 -8.757 -8.289 1.00 0.00 N ATOM 109 CA HIS A 8 5.602 -10.129 -7.886 1.00 0.00 C ATOM 110 C HIS A 8 5.979 -10.357 -6.425 1.00 0.00 C ATOM 111 O HIS A 8 7.147 -10.244 -6.049 1.00 0.00 O ATOM 112 CB HIS A 8 6.357 -11.115 -8.779 1.00 0.00 C ATOM 113 CG HIS A 8 5.961 -11.040 -10.221 1.00 0.00 C ATOM 114 ND1 HIS A 8 4.880 -11.721 -10.741 1.00 0.00 N ATOM 115 CD2 HIS A 8 6.507 -10.358 -11.255 1.00 0.00 C ATOM 116 CE1 HIS A 8 4.780 -11.462 -12.033 1.00 0.00 C ATOM 117 NE2 HIS A 8 5.755 -10.637 -12.370 1.00 0.00 N ATOM 0 H HIS A 8 6.796 -8.406 -7.975 1.00 0.00 H new ATOM 0 HA HIS A 8 4.531 -10.296 -7.997 1.00 0.00 H new ATOM 0 HB2 HIS A 8 7.427 -10.924 -8.694 1.00 0.00 H new ATOM 0 HB3 HIS A 8 6.184 -12.128 -8.415 1.00 0.00 H new ATOM 0 HD2 HIS A 8 7.373 -9.714 -11.211 1.00 0.00 H new ATOM 0 HE1 HIS A 8 4.029 -11.858 -12.700 1.00 0.00 H new ATOM 0 HE2 HIS A 8 5.922 -10.267 -13.306 1.00 0.00 H new ATOM 125 N LEU A 9 4.983 -10.676 -5.605 1.00 0.00 N ATOM 126 CA LEU A 9 5.210 -10.919 -4.185 1.00 0.00 C ATOM 127 C LEU A 9 3.935 -11.409 -3.506 1.00 0.00 C ATOM 128 O LEU A 9 2.835 -11.233 -4.027 1.00 0.00 O ATOM 129 CB LEU A 9 5.707 -9.643 -3.502 1.00 0.00 C ATOM 130 CG LEU A 9 4.627 -8.655 -3.059 1.00 0.00 C ATOM 131 CD1 LEU A 9 5.257 -7.429 -2.417 1.00 0.00 C ATOM 132 CD2 LEU A 9 3.755 -8.253 -4.239 1.00 0.00 C ATOM 0 H LEU A 9 4.011 -10.772 -5.899 1.00 0.00 H new ATOM 0 HA LEU A 9 5.971 -11.694 -4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.292 -9.927 -2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.383 -9.129 -4.185 1.00 0.00 H new ATOM 0 HG LEU A 9 3.996 -9.145 -2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.474 -6.737 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.838 -7.732 -1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.912 -6.938 -3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.992 -7.550 -3.905 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.372 -7.782 -5.004 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.275 -9.139 -4.655 1.00 0.00 H new ATOM 144 N GLY A 10 4.091 -12.024 -2.338 1.00 0.00 N ATOM 145 CA GLY A 10 2.944 -12.528 -1.605 1.00 0.00 C ATOM 146 C GLY A 10 2.480 -11.571 -0.526 1.00 0.00 C ATOM 147 O GLY A 10 3.195 -10.649 -0.134 1.00 0.00 O ATOM 0 H GLY A 10 4.992 -12.182 -1.886 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.125 -12.712 -2.300 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.199 -13.486 -1.152 1.00 0.00 H new ATOM 151 N PRO A 11 1.253 -11.785 -0.028 1.00 0.00 N ATOM 152 CA PRO A 11 0.665 -10.944 1.019 1.00 0.00 C ATOM 153 C PRO A 11 1.352 -11.132 2.368 1.00 0.00 C ATOM 154 O PRO A 11 1.806 -12.228 2.698 1.00 0.00 O ATOM 155 CB PRO A 11 -0.787 -11.424 1.087 1.00 0.00 C ATOM 156 CG PRO A 11 -0.745 -12.827 0.587 1.00 0.00 C ATOM 157 CD PRO A 11 0.345 -12.866 -0.448 1.00 0.00 C ATOM 0 HA PRO A 11 0.767 -9.882 0.794 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.172 -11.378 2.106 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.438 -10.804 0.472 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.537 -13.524 1.399 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.703 -13.116 0.155 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.850 -13.832 -0.463 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.047 -12.695 -1.451 1.00 0.00 H new ATOM 165 N LYS A 12 1.425 -10.056 3.144 1.00 0.00 N ATOM 166 CA LYS A 12 2.055 -10.102 4.458 1.00 0.00 C ATOM 167 C LYS A 12 1.039 -10.466 5.536 1.00 0.00 C ATOM 168 O LYS A 12 -0.168 -10.451 5.295 1.00 0.00 O ATOM 169 CB LYS A 12 2.700 -8.753 4.785 1.00 0.00 C ATOM 170 CG LYS A 12 1.756 -7.778 5.467 1.00 0.00 C ATOM 171 CD LYS A 12 0.544 -7.476 4.602 1.00 0.00 C ATOM 172 CE LYS A 12 0.934 -6.720 3.341 1.00 0.00 C ATOM 173 NZ LYS A 12 -0.251 -6.401 2.497 1.00 0.00 N ATOM 0 H LYS A 12 1.055 -9.141 2.885 1.00 0.00 H new ATOM 0 HA LYS A 12 2.827 -10.871 4.436 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.564 -8.919 5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.070 -8.304 3.863 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.429 -8.193 6.420 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.286 -6.852 5.688 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.048 -8.408 4.330 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.174 -6.888 5.173 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.444 -5.797 3.614 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.641 -7.316 2.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.056 -5.886 1.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.724 -7.283 2.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.914 -5.811 3.039 1.00 0.00 H new ATOM 187 N TYR A 13 1.535 -10.792 6.725 1.00 0.00 N ATOM 188 CA TYR A 13 0.671 -11.160 7.839 1.00 0.00 C ATOM 189 C TYR A 13 0.778 -10.143 8.971 1.00 0.00 C ATOM 190 O TYR A 13 1.867 -9.667 9.293 1.00 0.00 O ATOM 191 CB TYR A 13 1.034 -12.554 8.355 1.00 0.00 C ATOM 192 CG TYR A 13 0.504 -13.676 7.490 1.00 0.00 C ATOM 193 CD1 TYR A 13 0.854 -13.771 6.149 1.00 0.00 C ATOM 194 CD2 TYR A 13 -0.347 -14.641 8.015 1.00 0.00 C ATOM 195 CE1 TYR A 13 0.372 -14.793 5.355 1.00 0.00 C ATOM 196 CE2 TYR A 13 -0.833 -15.668 7.229 1.00 0.00 C ATOM 197 CZ TYR A 13 -0.470 -15.740 5.900 1.00 0.00 C ATOM 198 OH TYR A 13 -0.953 -16.761 5.114 1.00 0.00 O ATOM 0 H TYR A 13 2.532 -10.809 6.941 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.358 -11.169 7.479 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.119 -12.637 8.420 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.645 -12.671 9.366 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.515 -13.032 5.720 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.633 -14.587 9.055 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.653 -14.850 4.314 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.493 -16.410 7.653 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.531 -17.342 5.651 1.00 0.00 H new ATOM 208 N VAL A 14 -0.361 -9.816 9.574 1.00 0.00 N ATOM 209 CA VAL A 14 -0.397 -8.857 10.672 1.00 0.00 C ATOM 210 C VAL A 14 -1.101 -9.444 11.890 1.00 0.00 C ATOM 211 O VAL A 14 -1.983 -10.291 11.763 1.00 0.00 O ATOM 212 CB VAL A 14 -1.110 -7.556 10.257 1.00 0.00 C ATOM 213 CG1 VAL A 14 -2.614 -7.691 10.437 1.00 0.00 C ATOM 214 CG2 VAL A 14 -0.573 -6.378 11.055 1.00 0.00 C ATOM 0 H VAL A 14 -1.271 -10.201 9.321 1.00 0.00 H new ATOM 0 HA VAL A 14 0.638 -8.629 10.929 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.910 -7.372 9.201 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.101 -6.762 10.139 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.983 -8.509 9.818 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.838 -7.898 11.483 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.087 -5.467 10.749 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.742 -6.551 12.118 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.496 -6.271 10.870 1.00 0.00 H new ATOM 224 N GLY A 15 -0.704 -8.985 13.074 1.00 0.00 N ATOM 225 CA GLY A 15 -1.307 -9.475 14.299 1.00 0.00 C ATOM 226 C GLY A 15 -0.603 -8.960 15.539 1.00 0.00 C ATOM 227 O GLY A 15 -0.429 -7.752 15.706 1.00 0.00 O ATOM 0 H GLY A 15 0.024 -8.283 13.206 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.355 -9.176 14.329 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.286 -10.565 14.300 1.00 0.00 H new ATOM 231 N LEU A 16 -0.197 -9.876 16.410 1.00 0.00 N ATOM 232 CA LEU A 16 0.492 -9.508 17.643 1.00 0.00 C ATOM 233 C LEU A 16 -0.279 -8.429 18.396 1.00 0.00 C ATOM 234 O LEU A 16 0.112 -7.262 18.401 1.00 0.00 O ATOM 235 CB LEU A 16 1.907 -9.017 17.332 1.00 0.00 C ATOM 236 CG LEU A 16 2.973 -10.102 17.169 1.00 0.00 C ATOM 237 CD1 LEU A 16 3.182 -10.845 18.479 1.00 0.00 C ATOM 238 CD2 LEU A 16 2.584 -11.069 16.061 1.00 0.00 C ATOM 0 H LEU A 16 -0.333 -10.879 16.286 1.00 0.00 H new ATOM 0 HA LEU A 16 0.552 -10.394 18.275 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.873 -8.429 16.415 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.221 -8.345 18.131 1.00 0.00 H new ATOM 0 HG LEU A 16 3.913 -9.624 16.893 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.944 -11.613 18.344 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.506 -10.143 19.248 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.246 -11.312 18.786 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.354 -11.834 15.959 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.633 -11.541 16.308 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.486 -10.525 15.121 1.00 0.00 H new ATOM 250 N TRP A 17 -1.375 -8.827 19.032 1.00 0.00 N ATOM 251 CA TRP A 17 -2.200 -7.894 19.791 1.00 0.00 C ATOM 252 C TRP A 17 -1.476 -7.427 21.049 1.00 0.00 C ATOM 253 O TRP A 17 -1.687 -7.968 22.134 1.00 0.00 O ATOM 254 CB TRP A 17 -3.531 -8.547 20.166 1.00 0.00 C ATOM 255 CG TRP A 17 -4.648 -7.562 20.338 1.00 0.00 C ATOM 256 CD1 TRP A 17 -4.560 -6.309 20.876 1.00 0.00 C ATOM 257 CD2 TRP A 17 -6.020 -7.749 19.973 1.00 0.00 C ATOM 258 NE1 TRP A 17 -5.795 -5.707 20.867 1.00 0.00 N ATOM 259 CE2 TRP A 17 -6.707 -6.568 20.317 1.00 0.00 C ATOM 260 CE3 TRP A 17 -6.734 -8.797 19.387 1.00 0.00 C ATOM 261 CZ2 TRP A 17 -8.072 -6.411 20.095 1.00 0.00 C ATOM 262 CZ3 TRP A 17 -8.089 -8.639 19.167 1.00 0.00 C ATOM 263 CH2 TRP A 17 -8.747 -7.453 19.520 1.00 0.00 C ATOM 0 H TRP A 17 -1.713 -9.789 19.037 1.00 0.00 H new ATOM 0 HA TRP A 17 -2.394 -7.025 19.163 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -3.805 -9.266 19.394 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -3.404 -9.107 21.092 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -3.654 -5.858 21.253 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -6.000 -4.770 21.214 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -6.236 -9.715 19.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -8.581 -5.498 20.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -8.651 -9.443 18.715 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -9.807 -7.360 19.335 1.00 0.00 H new ATOM 274 N ASP A 18 -0.624 -6.419 20.896 1.00 0.00 N ATOM 275 CA ASP A 18 0.130 -5.879 22.022 1.00 0.00 C ATOM 276 C ASP A 18 0.830 -6.993 22.793 1.00 0.00 C ATOM 277 O ASP A 18 0.336 -7.455 23.822 1.00 0.00 O ATOM 278 CB ASP A 18 -0.797 -5.099 22.956 1.00 0.00 C ATOM 279 CG ASP A 18 -0.656 -3.598 22.790 1.00 0.00 C ATOM 280 OD1 ASP A 18 -1.090 -3.073 21.744 1.00 0.00 O ATOM 281 OD2 ASP A 18 -0.113 -2.949 23.708 1.00 0.00 O ATOM 0 H ASP A 18 -0.438 -5.960 20.004 1.00 0.00 H new ATOM 0 HA ASP A 18 0.889 -5.203 21.628 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.830 -5.388 22.762 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.579 -5.370 23.989 1.00 0.00 H new ATOM 286 N PHE A 19 1.982 -7.422 22.288 1.00 0.00 N ATOM 287 CA PHE A 19 2.749 -8.484 22.929 1.00 0.00 C ATOM 288 C PHE A 19 4.246 -8.209 22.830 1.00 0.00 C ATOM 289 O PHE A 19 4.783 -8.012 21.740 1.00 0.00 O ATOM 290 CB PHE A 19 2.423 -9.835 22.287 1.00 0.00 C ATOM 291 CG PHE A 19 2.538 -10.993 23.237 1.00 0.00 C ATOM 292 CD1 PHE A 19 3.773 -11.385 23.726 1.00 0.00 C ATOM 293 CD2 PHE A 19 1.410 -11.688 23.641 1.00 0.00 C ATOM 294 CE1 PHE A 19 3.881 -12.451 24.600 1.00 0.00 C ATOM 295 CE2 PHE A 19 1.511 -12.754 24.515 1.00 0.00 C ATOM 296 CZ PHE A 19 2.749 -13.135 24.996 1.00 0.00 C ATOM 0 H PHE A 19 2.405 -7.051 21.437 1.00 0.00 H new ATOM 0 HA PHE A 19 2.472 -8.514 23.983 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.410 -9.803 21.887 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.094 -9.999 21.444 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.662 -10.852 23.421 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.440 -11.393 23.269 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.850 -12.748 24.973 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.624 -13.288 24.821 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.831 -13.966 25.680 1.00 0.00 H new ATOM 306 N LYS A 20 4.916 -8.198 23.977 1.00 0.00 N ATOM 307 CA LYS A 20 6.352 -7.948 24.023 1.00 0.00 C ATOM 308 C LYS A 20 7.070 -9.041 24.808 1.00 0.00 C ATOM 309 O LYS A 20 7.065 -9.039 26.039 1.00 0.00 O ATOM 310 CB LYS A 20 6.633 -6.583 24.655 1.00 0.00 C ATOM 311 CG LYS A 20 5.779 -5.462 24.088 1.00 0.00 C ATOM 312 CD LYS A 20 6.160 -5.143 22.652 1.00 0.00 C ATOM 313 CE LYS A 20 5.905 -3.681 22.319 1.00 0.00 C ATOM 314 NZ LYS A 20 4.503 -3.280 22.619 1.00 0.00 N ATOM 0 H LYS A 20 4.487 -8.359 24.888 1.00 0.00 H new ATOM 0 HA LYS A 20 6.729 -7.953 23.000 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.465 -6.648 25.730 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.685 -6.335 24.511 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.728 -5.746 24.132 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.894 -4.569 24.703 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.213 -5.375 22.494 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.589 -5.777 21.974 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.592 -3.054 22.888 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.114 -3.507 21.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.341 -2.309 22.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.846 -3.926 22.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.341 -3.325 23.645 1.00 0.00 H new ATOM 328 N SER A 21 7.687 -9.972 24.088 1.00 0.00 N ATOM 329 CA SER A 21 8.408 -11.072 24.718 1.00 0.00 C ATOM 330 C SER A 21 9.874 -10.710 24.931 1.00 0.00 C ATOM 331 O SER A 21 10.305 -9.603 24.608 1.00 0.00 O ATOM 332 CB SER A 21 8.302 -12.335 23.861 1.00 0.00 C ATOM 333 OG SER A 21 7.046 -12.967 24.037 1.00 0.00 O ATOM 0 H SER A 21 7.702 -9.987 23.068 1.00 0.00 H new ATOM 0 HA SER A 21 7.954 -11.262 25.691 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.439 -12.078 22.811 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.101 -13.027 24.127 1.00 0.00 H new ATOM 0 HG SER A 21 6.329 -12.340 23.805 1.00 0.00 H new ATOM 339 N ARG A 22 10.636 -11.651 25.478 1.00 0.00 N ATOM 340 CA ARG A 22 12.054 -11.432 25.737 1.00 0.00 C ATOM 341 C ARG A 22 12.895 -12.563 25.153 1.00 0.00 C ATOM 342 O ARG A 22 14.029 -12.791 25.575 1.00 0.00 O ATOM 343 CB ARG A 22 12.309 -11.317 27.241 1.00 0.00 C ATOM 344 CG ARG A 22 11.303 -10.434 27.963 1.00 0.00 C ATOM 345 CD ARG A 22 10.109 -11.237 28.453 1.00 0.00 C ATOM 346 NE ARG A 22 9.477 -10.623 29.618 1.00 0.00 N ATOM 347 CZ ARG A 22 8.550 -11.225 30.355 1.00 0.00 C ATOM 348 NH1 ARG A 22 8.150 -12.452 30.049 1.00 0.00 N ATOM 349 NH2 ARG A 22 8.023 -10.601 31.400 1.00 0.00 N ATOM 0 H ARG A 22 10.295 -12.573 25.751 1.00 0.00 H new ATOM 0 HA ARG A 22 12.345 -10.499 25.254 1.00 0.00 H new ATOM 0 HB2 ARG A 22 12.288 -12.314 27.682 1.00 0.00 H new ATOM 0 HB3 ARG A 22 13.311 -10.919 27.402 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.787 -9.946 28.809 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.962 -9.645 27.292 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.378 -11.327 27.649 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.431 -12.247 28.706 1.00 0.00 H new ATOM 0 HE ARG A 22 9.763 -9.680 29.880 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.554 -12.935 29.247 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.438 -12.913 30.616 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.329 -9.658 31.639 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.311 -11.064 31.965 1.00 0.00 H new ATOM 363 N THR A 23 12.331 -13.271 24.179 1.00 0.00 N ATOM 364 CA THR A 23 13.027 -14.380 23.539 1.00 0.00 C ATOM 365 C THR A 23 12.673 -14.469 22.059 1.00 0.00 C ATOM 366 O THR A 23 11.626 -13.985 21.630 1.00 0.00 O ATOM 367 CB THR A 23 12.690 -15.722 24.217 1.00 0.00 C ATOM 368 OG1 THR A 23 11.333 -15.713 24.673 1.00 0.00 O ATOM 369 CG2 THR A 23 13.623 -15.984 25.389 1.00 0.00 C ATOM 0 H THR A 23 11.394 -13.096 23.816 1.00 0.00 H new ATOM 0 HA THR A 23 14.094 -14.186 23.644 1.00 0.00 H new ATOM 0 HB THR A 23 12.821 -16.518 23.484 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.126 -16.570 25.101 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.366 -16.937 25.852 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.653 -16.019 25.033 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.519 -15.184 26.122 1.00 0.00 H new ATOM 377 N ASP A 24 13.553 -15.092 21.282 1.00 0.00 N ATOM 378 CA ASP A 24 13.333 -15.246 19.849 1.00 0.00 C ATOM 379 C ASP A 24 12.038 -16.004 19.576 1.00 0.00 C ATOM 380 O ASP A 24 11.467 -15.906 18.491 1.00 0.00 O ATOM 381 CB ASP A 24 14.512 -15.978 19.206 1.00 0.00 C ATOM 382 CG ASP A 24 15.839 -15.301 19.490 1.00 0.00 C ATOM 383 OD1 ASP A 24 16.396 -15.526 20.585 1.00 0.00 O ATOM 384 OD2 ASP A 24 16.319 -14.546 18.619 1.00 0.00 O ATOM 0 H ASP A 24 14.425 -15.498 21.621 1.00 0.00 H new ATOM 0 HA ASP A 24 13.250 -14.252 19.411 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.544 -17.003 19.575 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.358 -16.032 18.128 1.00 0.00 H new ATOM 389 N GLU A 25 11.581 -16.761 20.569 1.00 0.00 N ATOM 390 CA GLU A 25 10.354 -17.538 20.435 1.00 0.00 C ATOM 391 C GLU A 25 9.173 -16.634 20.092 1.00 0.00 C ATOM 392 O GLU A 25 8.174 -17.088 19.536 1.00 0.00 O ATOM 393 CB GLU A 25 10.066 -18.305 21.727 1.00 0.00 C ATOM 394 CG GLU A 25 11.136 -19.323 22.083 1.00 0.00 C ATOM 395 CD GLU A 25 10.603 -20.452 22.943 1.00 0.00 C ATOM 396 OE1 GLU A 25 9.386 -20.463 23.222 1.00 0.00 O ATOM 397 OE2 GLU A 25 11.405 -21.325 23.338 1.00 0.00 O ATOM 0 H GLU A 25 12.042 -16.853 21.474 1.00 0.00 H new ATOM 0 HA GLU A 25 10.492 -18.251 19.622 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.966 -17.594 22.547 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.108 -18.816 21.630 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.558 -19.737 21.167 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.948 -18.822 22.610 1.00 0.00 H new ATOM 404 N GLU A 26 9.298 -15.354 20.429 1.00 0.00 N ATOM 405 CA GLU A 26 8.240 -14.388 20.158 1.00 0.00 C ATOM 406 C GLU A 26 8.827 -13.035 19.766 1.00 0.00 C ATOM 407 O GLU A 26 9.976 -12.727 20.087 1.00 0.00 O ATOM 408 CB GLU A 26 7.337 -14.229 21.383 1.00 0.00 C ATOM 409 CG GLU A 26 6.195 -15.230 21.430 1.00 0.00 C ATOM 410 CD GLU A 26 4.895 -14.610 21.905 1.00 0.00 C ATOM 411 OE1 GLU A 26 4.399 -13.684 21.229 1.00 0.00 O ATOM 412 OE2 GLU A 26 4.374 -15.049 22.951 1.00 0.00 O ATOM 0 H GLU A 26 10.120 -14.963 20.889 1.00 0.00 H new ATOM 0 HA GLU A 26 7.646 -14.763 19.325 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.940 -14.335 22.285 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.925 -13.220 21.392 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.049 -15.656 20.437 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.465 -16.052 22.093 1.00 0.00 H new ATOM 419 N LEU A 27 8.031 -12.230 19.071 1.00 0.00 N ATOM 420 CA LEU A 27 8.471 -10.909 18.635 1.00 0.00 C ATOM 421 C LEU A 27 8.131 -9.850 19.678 1.00 0.00 C ATOM 422 O LEU A 27 7.119 -9.949 20.371 1.00 0.00 O ATOM 423 CB LEU A 27 7.821 -10.550 17.297 1.00 0.00 C ATOM 424 CG LEU A 27 8.249 -11.393 16.095 1.00 0.00 C ATOM 425 CD1 LEU A 27 9.764 -11.511 16.039 1.00 0.00 C ATOM 426 CD2 LEU A 27 7.606 -12.771 16.154 1.00 0.00 C ATOM 0 H LEU A 27 7.078 -12.469 18.797 1.00 0.00 H new ATOM 0 HA LEU A 27 9.554 -10.936 18.511 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.740 -10.633 17.407 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.040 -9.505 17.079 1.00 0.00 H new ATOM 0 HG LEU A 27 7.910 -10.895 15.187 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.050 -12.114 15.177 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.203 -10.518 15.949 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.126 -11.986 16.951 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.922 -13.357 15.291 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.914 -13.277 17.069 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.521 -12.667 16.145 1.00 0.00 H new ATOM 438 N SER A 28 8.984 -8.836 19.784 1.00 0.00 N ATOM 439 CA SER A 28 8.776 -7.758 20.744 1.00 0.00 C ATOM 440 C SER A 28 8.270 -6.499 20.047 1.00 0.00 C ATOM 441 O SER A 28 9.036 -5.571 19.784 1.00 0.00 O ATOM 442 CB SER A 28 10.075 -7.454 21.492 1.00 0.00 C ATOM 443 OG SER A 28 9.814 -6.831 22.737 1.00 0.00 O ATOM 0 H SER A 28 9.826 -8.738 19.217 1.00 0.00 H new ATOM 0 HA SER A 28 8.021 -8.084 21.460 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.630 -8.378 21.654 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.706 -6.806 20.883 1.00 0.00 H new ATOM 0 HG SER A 28 10.661 -6.649 23.196 1.00 0.00 H new ATOM 449 N PHE A 29 6.975 -6.475 19.749 1.00 0.00 N ATOM 450 CA PHE A 29 6.366 -5.330 19.081 1.00 0.00 C ATOM 451 C PHE A 29 4.855 -5.319 19.291 1.00 0.00 C ATOM 452 O PHE A 29 4.265 -6.325 19.685 1.00 0.00 O ATOM 453 CB PHE A 29 6.684 -5.358 17.584 1.00 0.00 C ATOM 454 CG PHE A 29 7.180 -4.044 17.052 1.00 0.00 C ATOM 455 CD1 PHE A 29 8.527 -3.725 17.106 1.00 0.00 C ATOM 456 CD2 PHE A 29 6.300 -3.129 16.499 1.00 0.00 C ATOM 457 CE1 PHE A 29 8.986 -2.516 16.618 1.00 0.00 C ATOM 458 CE2 PHE A 29 6.753 -1.919 16.009 1.00 0.00 C ATOM 459 CZ PHE A 29 8.098 -1.612 16.067 1.00 0.00 C ATOM 0 H PHE A 29 6.327 -7.235 19.959 1.00 0.00 H new ATOM 0 HA PHE A 29 6.783 -4.422 19.517 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.435 -6.125 17.395 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.788 -5.648 17.036 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.226 -4.428 17.534 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.247 -3.364 16.450 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.038 -2.278 16.667 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.056 -1.214 15.581 1.00 0.00 H new ATOM 0 HZ PHE A 29 8.455 -0.668 15.683 1.00 0.00 H new ATOM 469 N ARG A 30 4.235 -4.174 19.026 1.00 0.00 N ATOM 470 CA ARG A 30 2.793 -4.030 19.188 1.00 0.00 C ATOM 471 C ARG A 30 2.069 -4.304 17.873 1.00 0.00 C ATOM 472 O ARG A 30 2.670 -4.256 16.800 1.00 0.00 O ATOM 473 CB ARG A 30 2.452 -2.625 19.687 1.00 0.00 C ATOM 474 CG ARG A 30 2.665 -1.540 18.644 1.00 0.00 C ATOM 475 CD ARG A 30 2.327 -0.163 19.195 1.00 0.00 C ATOM 476 NE ARG A 30 3.363 0.336 20.095 1.00 0.00 N ATOM 477 CZ ARG A 30 3.286 1.499 20.731 1.00 0.00 C ATOM 478 NH1 ARG A 30 2.227 2.280 20.567 1.00 0.00 N ATOM 479 NH2 ARG A 30 4.270 1.884 21.534 1.00 0.00 N ATOM 0 H ARG A 30 4.709 -3.332 18.698 1.00 0.00 H new ATOM 0 HA ARG A 30 2.461 -4.760 19.926 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.411 -2.606 20.011 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.062 -2.401 20.562 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.702 -1.554 18.309 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.045 -1.746 17.771 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.197 0.536 18.369 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.376 -0.209 19.726 1.00 0.00 H new ATOM 0 HE ARG A 30 4.191 -0.241 20.243 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.468 1.988 19.951 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.171 3.173 21.057 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.086 1.286 21.663 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.210 2.778 22.022 1.00 0.00 H new ATOM 493 N ALA A 31 0.775 -4.591 17.965 1.00 0.00 N ATOM 494 CA ALA A 31 -0.032 -4.871 16.784 1.00 0.00 C ATOM 495 C ALA A 31 0.021 -3.711 15.795 1.00 0.00 C ATOM 496 O ALA A 31 0.542 -2.641 16.107 1.00 0.00 O ATOM 497 CB ALA A 31 -1.471 -5.161 17.183 1.00 0.00 C ATOM 0 H ALA A 31 0.263 -4.636 18.846 1.00 0.00 H new ATOM 0 HA ALA A 31 0.381 -5.752 16.293 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.061 -5.368 16.290 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.498 -6.027 17.845 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.887 -4.296 17.700 1.00 0.00 H new ATOM 503 N GLY A 32 -0.521 -3.932 14.601 1.00 0.00 N ATOM 504 CA GLY A 32 -0.523 -2.895 13.585 1.00 0.00 C ATOM 505 C GLY A 32 0.670 -2.992 12.656 1.00 0.00 C ATOM 506 O GLY A 32 0.616 -2.531 11.515 1.00 0.00 O ATOM 0 H GLY A 32 -0.958 -4.809 14.319 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.441 -2.964 13.001 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.525 -1.918 14.068 1.00 0.00 H new ATOM 510 N ASP A 33 1.751 -3.590 13.143 1.00 0.00 N ATOM 511 CA ASP A 33 2.964 -3.745 12.349 1.00 0.00 C ATOM 512 C ASP A 33 2.823 -4.900 11.362 1.00 0.00 C ATOM 513 O ASP A 33 2.211 -5.923 11.670 1.00 0.00 O ATOM 514 CB ASP A 33 4.170 -3.981 13.260 1.00 0.00 C ATOM 515 CG ASP A 33 4.879 -2.692 13.625 1.00 0.00 C ATOM 516 OD1 ASP A 33 4.247 -1.828 14.268 1.00 0.00 O ATOM 517 OD2 ASP A 33 6.067 -2.547 13.269 1.00 0.00 O ATOM 0 H ASP A 33 1.812 -3.976 14.085 1.00 0.00 H new ATOM 0 HA ASP A 33 3.119 -2.825 11.785 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.842 -4.482 14.170 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.872 -4.651 12.763 1.00 0.00 H new ATOM 522 N VAL A 34 3.392 -4.729 10.173 1.00 0.00 N ATOM 523 CA VAL A 34 3.331 -5.757 9.141 1.00 0.00 C ATOM 524 C VAL A 34 4.521 -6.704 9.236 1.00 0.00 C ATOM 525 O VAL A 34 5.649 -6.279 9.488 1.00 0.00 O ATOM 526 CB VAL A 34 3.295 -5.136 7.732 1.00 0.00 C ATOM 527 CG1 VAL A 34 1.960 -4.450 7.484 1.00 0.00 C ATOM 528 CG2 VAL A 34 4.447 -4.159 7.551 1.00 0.00 C ATOM 0 H VAL A 34 3.901 -3.888 9.901 1.00 0.00 H new ATOM 0 HA VAL A 34 2.411 -6.317 9.307 1.00 0.00 H new ATOM 0 HB VAL A 34 3.407 -5.935 6.999 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.954 -4.017 6.484 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.155 -5.180 7.569 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.814 -3.661 8.222 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.406 -3.730 6.550 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.368 -3.362 8.291 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.393 -4.684 7.682 1.00 0.00 H new ATOM 538 N PHE A 35 4.263 -7.992 9.034 1.00 0.00 N ATOM 539 CA PHE A 35 5.313 -9.002 9.098 1.00 0.00 C ATOM 540 C PHE A 35 5.175 -10.003 7.955 1.00 0.00 C ATOM 541 O PHE A 35 4.124 -10.097 7.320 1.00 0.00 O ATOM 542 CB PHE A 35 5.266 -9.733 10.441 1.00 0.00 C ATOM 543 CG PHE A 35 4.923 -8.840 11.598 1.00 0.00 C ATOM 544 CD1 PHE A 35 5.848 -7.932 12.088 1.00 0.00 C ATOM 545 CD2 PHE A 35 3.675 -8.909 12.198 1.00 0.00 C ATOM 546 CE1 PHE A 35 5.535 -7.108 13.152 1.00 0.00 C ATOM 547 CE2 PHE A 35 3.357 -8.087 13.263 1.00 0.00 C ATOM 548 CZ PHE A 35 4.288 -7.186 13.741 1.00 0.00 C ATOM 0 H PHE A 35 3.335 -8.361 8.825 1.00 0.00 H new ATOM 0 HA PHE A 35 6.274 -8.498 9.001 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.532 -10.537 10.383 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.234 -10.198 10.626 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.825 -7.868 11.633 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.943 -9.613 11.829 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.265 -6.403 13.523 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.381 -8.149 13.721 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.042 -6.544 14.574 1.00 0.00 H new ATOM 558 N HIS A 36 6.245 -10.750 7.698 1.00 0.00 N ATOM 559 CA HIS A 36 6.244 -11.745 6.632 1.00 0.00 C ATOM 560 C HIS A 36 6.906 -13.039 7.096 1.00 0.00 C ATOM 561 O HIS A 36 7.953 -13.016 7.742 1.00 0.00 O ATOM 562 CB HIS A 36 6.967 -11.203 5.399 1.00 0.00 C ATOM 563 CG HIS A 36 6.801 -12.060 4.182 1.00 0.00 C ATOM 564 ND1 HIS A 36 7.838 -12.768 3.613 1.00 0.00 N ATOM 565 CD2 HIS A 36 5.709 -12.322 3.426 1.00 0.00 C ATOM 566 CE1 HIS A 36 7.392 -13.428 2.558 1.00 0.00 C ATOM 567 NE2 HIS A 36 6.103 -13.174 2.424 1.00 0.00 N ATOM 0 H HIS A 36 7.123 -10.685 8.213 1.00 0.00 H new ATOM 0 HA HIS A 36 5.208 -11.961 6.371 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.596 -10.202 5.181 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.029 -11.107 5.624 1.00 0.00 H new ATOM 0 HD2 HIS A 36 4.714 -11.933 3.582 1.00 0.00 H new ATOM 0 HE1 HIS A 36 7.981 -14.066 1.916 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.498 -13.550 1.694 1.00 0.00 H new ATOM 575 N VAL A 37 6.287 -14.168 6.763 1.00 0.00 N ATOM 576 CA VAL A 37 6.816 -15.471 7.145 1.00 0.00 C ATOM 577 C VAL A 37 7.859 -15.956 6.144 1.00 0.00 C ATOM 578 O VAL A 37 7.610 -15.991 4.940 1.00 0.00 O ATOM 579 CB VAL A 37 5.696 -16.522 7.252 1.00 0.00 C ATOM 580 CG1 VAL A 37 4.734 -16.165 8.374 1.00 0.00 C ATOM 581 CG2 VAL A 37 4.958 -16.651 5.927 1.00 0.00 C ATOM 0 H VAL A 37 5.419 -14.206 6.229 1.00 0.00 H new ATOM 0 HA VAL A 37 7.284 -15.348 8.122 1.00 0.00 H new ATOM 0 HB VAL A 37 6.148 -17.486 7.486 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.949 -16.919 8.434 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.275 -16.128 9.319 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.287 -15.191 8.174 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.170 -17.398 6.021 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.517 -15.690 5.661 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.658 -16.957 5.149 1.00 0.00 H new ATOM 591 N ALA A 38 9.029 -16.330 6.652 1.00 0.00 N ATOM 592 CA ALA A 38 10.110 -16.816 5.802 1.00 0.00 C ATOM 593 C ALA A 38 10.018 -18.326 5.607 1.00 0.00 C ATOM 594 O ALA A 38 10.296 -18.839 4.523 1.00 0.00 O ATOM 595 CB ALA A 38 11.459 -16.440 6.398 1.00 0.00 C ATOM 0 H ALA A 38 9.253 -16.306 7.647 1.00 0.00 H new ATOM 0 HA ALA A 38 10.012 -16.343 4.825 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.257 -16.809 5.754 1.00 0.00 H new ATOM 0 HB2 ALA A 38 11.531 -15.355 6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.557 -16.886 7.388 1.00 0.00 H new ATOM 601 N ARG A 39 9.627 -19.032 6.662 1.00 0.00 N ATOM 602 CA ARG A 39 9.500 -20.483 6.606 1.00 0.00 C ATOM 603 C ARG A 39 8.300 -20.956 7.421 1.00 0.00 C ATOM 604 O ARG A 39 8.196 -20.675 8.615 1.00 0.00 O ATOM 605 CB ARG A 39 10.776 -21.148 7.126 1.00 0.00 C ATOM 606 CG ARG A 39 11.993 -20.898 6.250 1.00 0.00 C ATOM 607 CD ARG A 39 13.287 -21.095 7.025 1.00 0.00 C ATOM 608 NE ARG A 39 13.706 -22.494 7.044 1.00 0.00 N ATOM 609 CZ ARG A 39 14.307 -23.095 6.024 1.00 0.00 C ATOM 610 NH1 ARG A 39 14.559 -22.423 4.909 1.00 0.00 N ATOM 611 NH2 ARG A 39 14.658 -24.372 6.118 1.00 0.00 N ATOM 0 H ARG A 39 9.393 -18.623 7.566 1.00 0.00 H new ATOM 0 HA ARG A 39 9.346 -20.769 5.565 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.982 -20.783 8.132 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.610 -22.222 7.205 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.973 -21.574 5.395 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.956 -19.883 5.854 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.073 -20.487 6.578 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.154 -20.742 8.048 1.00 0.00 H new ATOM 0 HE ARG A 39 13.527 -23.039 7.887 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.291 -21.442 4.833 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.021 -22.887 4.127 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.466 -24.892 6.974 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.120 -24.833 5.334 1.00 0.00 H new ATOM 625 N LYS A 40 7.394 -21.676 6.767 1.00 0.00 N ATOM 626 CA LYS A 40 6.201 -22.189 7.429 1.00 0.00 C ATOM 627 C LYS A 40 6.343 -23.678 7.730 1.00 0.00 C ATOM 628 O LYS A 40 6.613 -24.478 6.834 1.00 0.00 O ATOM 629 CB LYS A 40 4.966 -21.950 6.557 1.00 0.00 C ATOM 630 CG LYS A 40 5.147 -22.388 5.113 1.00 0.00 C ATOM 631 CD LYS A 40 3.834 -22.846 4.501 1.00 0.00 C ATOM 632 CE LYS A 40 4.065 -23.776 3.320 1.00 0.00 C ATOM 633 NZ LYS A 40 4.735 -23.079 2.187 1.00 0.00 N ATOM 0 H LYS A 40 7.464 -21.917 5.778 1.00 0.00 H new ATOM 0 HA LYS A 40 6.082 -21.655 8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.119 -22.485 6.987 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.717 -20.889 6.578 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.553 -21.562 4.529 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.874 -23.199 5.066 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.238 -23.357 5.257 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.261 -21.978 4.176 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.675 -24.622 3.638 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.110 -24.180 2.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.844 -23.738 1.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.158 -22.267 1.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.672 -22.745 2.490 1.00 0.00 H new ATOM 647 N GLU A 41 6.160 -24.041 8.995 1.00 0.00 N ATOM 648 CA GLU A 41 6.268 -25.434 9.413 1.00 0.00 C ATOM 649 C GLU A 41 4.887 -26.066 9.562 1.00 0.00 C ATOM 650 O GLU A 41 3.876 -25.367 9.620 1.00 0.00 O ATOM 651 CB GLU A 41 7.033 -25.536 10.734 1.00 0.00 C ATOM 652 CG GLU A 41 8.002 -26.705 10.788 1.00 0.00 C ATOM 653 CD GLU A 41 7.370 -27.961 11.356 1.00 0.00 C ATOM 654 OE1 GLU A 41 6.507 -27.839 12.251 1.00 0.00 O ATOM 655 OE2 GLU A 41 7.739 -29.066 10.906 1.00 0.00 O ATOM 0 H GLU A 41 5.936 -23.390 9.748 1.00 0.00 H new ATOM 0 HA GLU A 41 6.816 -25.976 8.642 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.585 -24.610 10.897 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.318 -25.629 11.552 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.373 -26.911 9.784 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.864 -26.430 11.396 1.00 0.00 H new ATOM 662 N GLU A 42 4.854 -27.394 9.622 1.00 0.00 N ATOM 663 CA GLU A 42 3.597 -28.120 9.763 1.00 0.00 C ATOM 664 C GLU A 42 2.872 -27.711 11.042 1.00 0.00 C ATOM 665 O GLU A 42 1.653 -27.845 11.146 1.00 0.00 O ATOM 666 CB GLU A 42 3.852 -29.629 9.769 1.00 0.00 C ATOM 667 CG GLU A 42 4.489 -30.133 11.053 1.00 0.00 C ATOM 668 CD GLU A 42 4.659 -31.640 11.067 1.00 0.00 C ATOM 669 OE1 GLU A 42 3.642 -32.352 11.199 1.00 0.00 O ATOM 670 OE2 GLU A 42 5.811 -32.107 10.945 1.00 0.00 O ATOM 0 H GLU A 42 5.682 -27.988 9.575 1.00 0.00 H new ATOM 0 HA GLU A 42 2.965 -27.868 8.911 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.907 -30.149 9.614 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.498 -29.883 8.929 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.463 -29.660 11.181 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.874 -29.832 11.902 1.00 0.00 H new ATOM 677 N GLN A 43 3.632 -27.211 12.011 1.00 0.00 N ATOM 678 CA GLN A 43 3.062 -26.783 13.283 1.00 0.00 C ATOM 679 C GLN A 43 2.920 -25.265 13.333 1.00 0.00 C ATOM 680 O GLN A 43 1.817 -24.732 13.215 1.00 0.00 O ATOM 681 CB GLN A 43 3.935 -27.264 14.444 1.00 0.00 C ATOM 682 CG GLN A 43 4.012 -28.777 14.561 1.00 0.00 C ATOM 683 CD GLN A 43 4.287 -29.241 15.978 1.00 0.00 C ATOM 684 OE1 GLN A 43 3.928 -28.567 16.944 1.00 0.00 O ATOM 685 NE2 GLN A 43 4.926 -30.397 16.110 1.00 0.00 N ATOM 0 H GLN A 43 4.643 -27.092 11.940 1.00 0.00 H new ATOM 0 HA GLN A 43 2.070 -27.225 13.375 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.942 -26.866 14.320 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.544 -26.855 15.376 1.00 0.00 H new ATOM 0 HG2 GLN A 43 3.074 -29.212 14.216 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.797 -29.149 13.902 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.205 -30.923 15.282 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.138 -30.759 17.040 1.00 0.00 H new ATOM 694 N TRP A 44 4.042 -24.577 13.509 1.00 0.00 N ATOM 695 CA TRP A 44 4.041 -23.120 13.575 1.00 0.00 C ATOM 696 C TRP A 44 4.875 -22.524 12.446 1.00 0.00 C ATOM 697 O TRP A 44 5.752 -23.187 11.893 1.00 0.00 O ATOM 698 CB TRP A 44 4.581 -22.650 14.927 1.00 0.00 C ATOM 699 CG TRP A 44 3.964 -23.362 16.092 1.00 0.00 C ATOM 700 CD1 TRP A 44 2.643 -23.661 16.264 1.00 0.00 C ATOM 701 CD2 TRP A 44 4.644 -23.861 17.249 1.00 0.00 C ATOM 702 NE1 TRP A 44 2.460 -24.317 17.458 1.00 0.00 N ATOM 703 CE2 TRP A 44 3.673 -24.452 18.081 1.00 0.00 C ATOM 704 CE3 TRP A 44 5.979 -23.867 17.663 1.00 0.00 C ATOM 705 CZ2 TRP A 44 3.996 -25.041 19.300 1.00 0.00 C ATOM 706 CZ3 TRP A 44 6.298 -24.452 18.874 1.00 0.00 C ATOM 707 CH2 TRP A 44 5.310 -25.034 19.680 1.00 0.00 C ATOM 0 H TRP A 44 4.963 -25.004 13.608 1.00 0.00 H new ATOM 0 HA TRP A 44 3.013 -22.776 13.463 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.661 -22.798 14.950 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.403 -21.579 15.029 1.00 0.00 H new ATOM 0 HD1 TRP A 44 1.857 -23.418 15.564 1.00 0.00 H new ATOM 0 HE1 TRP A 44 1.567 -24.649 17.821 1.00 0.00 H new ATOM 0 HE3 TRP A 44 6.747 -23.423 17.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.236 -25.488 19.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 7.326 -24.461 19.205 1.00 0.00 H new ATOM 0 HH2 TRP A 44 5.592 -25.486 20.620 1.00 0.00 H new ATOM 718 N TRP A 45 4.595 -21.270 12.108 1.00 0.00 N ATOM 719 CA TRP A 45 5.320 -20.585 11.044 1.00 0.00 C ATOM 720 C TRP A 45 6.309 -19.578 11.621 1.00 0.00 C ATOM 721 O TRP A 45 6.039 -18.943 12.640 1.00 0.00 O ATOM 722 CB TRP A 45 4.342 -19.877 10.106 1.00 0.00 C ATOM 723 CG TRP A 45 3.219 -20.757 9.645 1.00 0.00 C ATOM 724 CD1 TRP A 45 3.246 -22.116 9.508 1.00 0.00 C ATOM 725 CD2 TRP A 45 1.905 -20.339 9.259 1.00 0.00 C ATOM 726 NE1 TRP A 45 2.028 -22.567 9.060 1.00 0.00 N ATOM 727 CE2 TRP A 45 1.188 -21.497 8.901 1.00 0.00 C ATOM 728 CE3 TRP A 45 1.264 -19.099 9.184 1.00 0.00 C ATOM 729 CZ2 TRP A 45 -0.136 -21.449 8.473 1.00 0.00 C ATOM 730 CZ3 TRP A 45 -0.050 -19.054 8.759 1.00 0.00 C ATOM 731 CH2 TRP A 45 -0.739 -20.222 8.409 1.00 0.00 C ATOM 0 H TRP A 45 3.871 -20.707 12.555 1.00 0.00 H new ATOM 0 HA TRP A 45 5.878 -21.332 10.479 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.927 -19.007 10.615 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.886 -19.508 9.236 1.00 0.00 H new ATOM 0 HD1 TRP A 45 4.099 -22.743 9.721 1.00 0.00 H new ATOM 0 HE1 TRP A 45 1.788 -23.541 8.876 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.786 -18.193 9.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -0.668 -22.348 8.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -0.555 -18.101 8.696 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -1.766 -20.153 8.082 1.00 0.00 H new ATOM 742 N TRP A 46 7.454 -19.437 10.963 1.00 0.00 N ATOM 743 CA TRP A 46 8.483 -18.505 11.411 1.00 0.00 C ATOM 744 C TRP A 46 8.255 -17.117 10.822 1.00 0.00 C ATOM 745 O TRP A 46 8.361 -16.921 9.612 1.00 0.00 O ATOM 746 CB TRP A 46 9.870 -19.018 11.018 1.00 0.00 C ATOM 747 CG TRP A 46 10.476 -19.932 12.039 1.00 0.00 C ATOM 748 CD1 TRP A 46 9.885 -21.016 12.623 1.00 0.00 C ATOM 749 CD2 TRP A 46 11.792 -19.842 12.597 1.00 0.00 C ATOM 750 NE1 TRP A 46 10.753 -21.604 13.510 1.00 0.00 N ATOM 751 CE2 TRP A 46 11.930 -20.903 13.512 1.00 0.00 C ATOM 752 CE3 TRP A 46 12.867 -18.969 12.411 1.00 0.00 C ATOM 753 CZ2 TRP A 46 13.099 -21.112 14.239 1.00 0.00 C ATOM 754 CZ3 TRP A 46 14.026 -19.177 13.133 1.00 0.00 C ATOM 755 CH2 TRP A 46 14.136 -20.242 14.037 1.00 0.00 C ATOM 0 H TRP A 46 7.693 -19.956 10.118 1.00 0.00 H new ATOM 0 HA TRP A 46 8.424 -18.432 12.497 1.00 0.00 H new ATOM 0 HB2 TRP A 46 9.799 -19.544 10.066 1.00 0.00 H new ATOM 0 HB3 TRP A 46 10.534 -18.167 10.863 1.00 0.00 H new ATOM 0 HD1 TRP A 46 8.882 -21.360 12.417 1.00 0.00 H new ATOM 0 HE1 TRP A 46 10.554 -22.429 14.076 1.00 0.00 H new ATOM 0 HE3 TRP A 46 12.793 -18.146 11.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 13.184 -21.931 14.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 14.862 -18.507 12.998 1.00 0.00 H new ATOM 0 HH2 TRP A 46 15.057 -20.379 14.585 1.00 0.00 H new ATOM 766 N ALA A 47 7.942 -16.157 11.686 1.00 0.00 N ATOM 767 CA ALA A 47 7.701 -14.787 11.251 1.00 0.00 C ATOM 768 C ALA A 47 8.916 -13.905 11.517 1.00 0.00 C ATOM 769 O ALA A 47 9.716 -14.184 12.411 1.00 0.00 O ATOM 770 CB ALA A 47 6.473 -14.220 11.947 1.00 0.00 C ATOM 0 H ALA A 47 7.849 -16.303 12.691 1.00 0.00 H new ATOM 0 HA ALA A 47 7.522 -14.800 10.176 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.305 -13.196 11.612 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.603 -14.829 11.703 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.630 -14.228 13.026 1.00 0.00 H new ATOM 776 N THR A 48 9.051 -12.840 10.733 1.00 0.00 N ATOM 777 CA THR A 48 10.170 -11.918 10.883 1.00 0.00 C ATOM 778 C THR A 48 9.688 -10.473 10.940 1.00 0.00 C ATOM 779 O THR A 48 8.928 -10.027 10.080 1.00 0.00 O ATOM 780 CB THR A 48 11.178 -12.066 9.728 1.00 0.00 C ATOM 781 OG1 THR A 48 11.549 -13.440 9.573 1.00 0.00 O ATOM 782 CG2 THR A 48 12.421 -11.226 9.983 1.00 0.00 C ATOM 0 H THR A 48 8.399 -12.595 9.988 1.00 0.00 H new ATOM 0 HA THR A 48 10.664 -12.170 11.821 1.00 0.00 H new ATOM 0 HB THR A 48 10.702 -11.714 8.813 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.189 -13.525 8.835 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.118 -11.347 9.154 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.139 -10.177 10.070 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.897 -11.552 10.908 1.00 0.00 H new ATOM 790 N LEU A 49 10.135 -9.745 11.958 1.00 0.00 N ATOM 791 CA LEU A 49 9.749 -8.348 12.127 1.00 0.00 C ATOM 792 C LEU A 49 10.755 -7.421 11.452 1.00 0.00 C ATOM 793 O LEU A 49 11.944 -7.438 11.772 1.00 0.00 O ATOM 794 CB LEU A 49 9.640 -8.005 13.613 1.00 0.00 C ATOM 795 CG LEU A 49 9.712 -6.519 13.967 1.00 0.00 C ATOM 796 CD1 LEU A 49 8.726 -5.723 13.126 1.00 0.00 C ATOM 797 CD2 LEU A 49 9.442 -6.310 15.449 1.00 0.00 C ATOM 0 H LEU A 49 10.765 -10.099 12.678 1.00 0.00 H new ATOM 0 HA LEU A 49 8.777 -8.205 11.655 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.697 -8.402 13.989 1.00 0.00 H new ATOM 0 HB3 LEU A 49 10.438 -8.523 14.144 1.00 0.00 H new ATOM 0 HG LEU A 49 10.718 -6.161 13.748 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.791 -4.668 13.391 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.965 -5.847 12.070 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.714 -6.083 13.314 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.497 -5.247 15.683 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.448 -6.684 15.694 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.187 -6.849 16.034 1.00 0.00 H new ATOM 809 N LEU A 50 10.269 -6.610 10.518 1.00 0.00 N ATOM 810 CA LEU A 50 11.124 -5.672 9.799 1.00 0.00 C ATOM 811 C LEU A 50 10.832 -4.236 10.220 1.00 0.00 C ATOM 812 O LEU A 50 9.689 -3.884 10.510 1.00 0.00 O ATOM 813 CB LEU A 50 10.925 -5.824 8.290 1.00 0.00 C ATOM 814 CG LEU A 50 10.461 -7.199 7.809 1.00 0.00 C ATOM 815 CD1 LEU A 50 10.277 -7.202 6.299 1.00 0.00 C ATOM 816 CD2 LEU A 50 11.453 -8.274 8.229 1.00 0.00 C ATOM 0 H LEU A 50 9.288 -6.583 10.241 1.00 0.00 H new ATOM 0 HA LEU A 50 12.161 -5.900 10.047 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.196 -5.082 7.963 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.866 -5.586 7.794 1.00 0.00 H new ATOM 0 HG LEU A 50 9.499 -7.419 8.272 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.947 -8.189 5.975 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.529 -6.460 6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.224 -6.960 5.817 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.106 -9.246 7.878 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.429 -8.058 7.794 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.535 -8.289 9.316 1.00 0.00 H new ATOM 828 N ASP A 51 11.873 -3.411 10.250 1.00 0.00 N ATOM 829 CA ASP A 51 11.728 -2.011 10.633 1.00 0.00 C ATOM 830 C ASP A 51 11.015 -1.220 9.540 1.00 0.00 C ATOM 831 O ASP A 51 10.648 -1.770 8.502 1.00 0.00 O ATOM 832 CB ASP A 51 13.098 -1.392 10.915 1.00 0.00 C ATOM 833 CG ASP A 51 13.057 -0.389 12.051 1.00 0.00 C ATOM 834 OD1 ASP A 51 12.486 -0.717 13.113 1.00 0.00 O ATOM 835 OD2 ASP A 51 13.597 0.723 11.880 1.00 0.00 O ATOM 0 H ASP A 51 12.826 -3.687 10.014 1.00 0.00 H new ATOM 0 HA ASP A 51 11.125 -1.969 11.540 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.808 -2.183 11.158 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.464 -0.901 10.013 1.00 0.00 H new ATOM 840 N GLU A 52 10.821 0.073 9.783 1.00 0.00 N ATOM 841 CA GLU A 52 10.149 0.938 8.820 1.00 0.00 C ATOM 842 C GLU A 52 10.877 0.926 7.479 1.00 0.00 C ATOM 843 O GLU A 52 10.278 1.180 6.434 1.00 0.00 O ATOM 844 CB GLU A 52 10.068 2.368 9.356 1.00 0.00 C ATOM 845 CG GLU A 52 11.416 3.065 9.439 1.00 0.00 C ATOM 846 CD GLU A 52 11.415 4.222 10.419 1.00 0.00 C ATOM 847 OE1 GLU A 52 10.608 4.193 11.371 1.00 0.00 O ATOM 848 OE2 GLU A 52 12.224 5.156 10.234 1.00 0.00 O ATOM 0 H GLU A 52 11.119 0.544 10.637 1.00 0.00 H new ATOM 0 HA GLU A 52 9.139 0.557 8.669 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.406 2.950 8.715 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.616 2.350 10.348 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.177 2.343 9.736 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.693 3.431 8.450 1.00 0.00 H new ATOM 855 N ALA A 53 12.172 0.630 7.517 1.00 0.00 N ATOM 856 CA ALA A 53 12.981 0.584 6.306 1.00 0.00 C ATOM 857 C ALA A 53 12.865 -0.773 5.619 1.00 0.00 C ATOM 858 O ALA A 53 13.192 -0.913 4.442 1.00 0.00 O ATOM 859 CB ALA A 53 14.436 0.890 6.631 1.00 0.00 C ATOM 0 H ALA A 53 12.683 0.418 8.374 1.00 0.00 H new ATOM 0 HA ALA A 53 12.606 1.343 5.619 1.00 0.00 H new ATOM 0 HB1 ALA A 53 15.029 0.852 5.717 1.00 0.00 H new ATOM 0 HB2 ALA A 53 14.509 1.885 7.070 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.814 0.152 7.339 1.00 0.00 H new ATOM 865 N GLY A 54 12.397 -1.770 6.364 1.00 0.00 N ATOM 866 CA GLY A 54 12.247 -3.103 5.810 1.00 0.00 C ATOM 867 C GLY A 54 13.567 -3.842 5.712 1.00 0.00 C ATOM 868 O GLY A 54 13.742 -4.703 4.851 1.00 0.00 O ATOM 0 H GLY A 54 12.119 -1.678 7.341 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.559 -3.676 6.431 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.799 -3.033 4.819 1.00 0.00 H new ATOM 872 N GLY A 55 14.500 -3.504 6.597 1.00 0.00 N ATOM 873 CA GLY A 55 15.799 -4.150 6.589 1.00 0.00 C ATOM 874 C GLY A 55 15.863 -5.336 7.531 1.00 0.00 C ATOM 875 O GLY A 55 16.941 -5.861 7.806 1.00 0.00 O ATOM 0 H GLY A 55 14.379 -2.794 7.319 1.00 0.00 H new ATOM 0 HA2 GLY A 55 16.030 -4.481 5.577 1.00 0.00 H new ATOM 0 HA3 GLY A 55 16.563 -3.425 6.870 1.00 0.00 H new ATOM 879 N ALA A 56 14.705 -5.758 8.027 1.00 0.00 N ATOM 880 CA ALA A 56 14.633 -6.890 8.943 1.00 0.00 C ATOM 881 C ALA A 56 15.301 -6.561 10.274 1.00 0.00 C ATOM 882 O ALA A 56 16.455 -6.134 10.313 1.00 0.00 O ATOM 883 CB ALA A 56 15.277 -8.118 8.317 1.00 0.00 C ATOM 0 H ALA A 56 13.803 -5.333 7.810 1.00 0.00 H new ATOM 0 HA ALA A 56 13.582 -7.104 9.136 1.00 0.00 H new ATOM 0 HB1 ALA A 56 15.216 -8.955 9.012 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.754 -8.373 7.395 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.323 -7.907 8.095 1.00 0.00 H new ATOM 889 N VAL A 57 14.568 -6.763 11.365 1.00 0.00 N ATOM 890 CA VAL A 57 15.090 -6.488 12.698 1.00 0.00 C ATOM 891 C VAL A 57 15.374 -7.782 13.454 1.00 0.00 C ATOM 892 O VAL A 57 16.527 -8.112 13.729 1.00 0.00 O ATOM 893 CB VAL A 57 14.109 -5.631 13.519 1.00 0.00 C ATOM 894 CG1 VAL A 57 14.779 -5.116 14.784 1.00 0.00 C ATOM 895 CG2 VAL A 57 13.577 -4.479 12.680 1.00 0.00 C ATOM 0 H VAL A 57 13.611 -7.116 11.351 1.00 0.00 H new ATOM 0 HA VAL A 57 16.020 -5.936 12.566 1.00 0.00 H new ATOM 0 HB VAL A 57 13.266 -6.256 13.812 1.00 0.00 H new ATOM 0 HG11 VAL A 57 14.070 -4.512 15.351 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.105 -5.960 15.392 1.00 0.00 H new ATOM 0 HG13 VAL A 57 15.642 -4.506 14.516 1.00 0.00 H new ATOM 0 HG21 VAL A 57 12.885 -3.884 13.276 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.407 -3.852 12.354 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.057 -4.874 11.807 1.00 0.00 H new ATOM 905 N ALA A 58 14.314 -8.511 13.787 1.00 0.00 N ATOM 906 CA ALA A 58 14.448 -9.769 14.509 1.00 0.00 C ATOM 907 C ALA A 58 13.619 -10.869 13.855 1.00 0.00 C ATOM 908 O ALA A 58 12.897 -10.623 12.889 1.00 0.00 O ATOM 909 CB ALA A 58 14.038 -9.590 15.963 1.00 0.00 C ATOM 0 H ALA A 58 13.352 -8.251 13.568 1.00 0.00 H new ATOM 0 HA ALA A 58 15.495 -10.070 14.473 1.00 0.00 H new ATOM 0 HB1 ALA A 58 14.143 -10.538 16.490 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.677 -8.841 16.432 1.00 0.00 H new ATOM 0 HB3 ALA A 58 13.000 -9.262 16.010 1.00 0.00 H new ATOM 915 N GLN A 59 13.728 -12.082 14.387 1.00 0.00 N ATOM 916 CA GLN A 59 12.989 -13.220 13.853 1.00 0.00 C ATOM 917 C GLN A 59 12.322 -14.010 14.974 1.00 0.00 C ATOM 918 O GLN A 59 12.964 -14.376 15.957 1.00 0.00 O ATOM 919 CB GLN A 59 13.922 -14.132 13.055 1.00 0.00 C ATOM 920 CG GLN A 59 14.588 -13.440 11.877 1.00 0.00 C ATOM 921 CD GLN A 59 15.900 -14.090 11.483 1.00 0.00 C ATOM 922 OE1 GLN A 59 16.860 -14.093 12.254 1.00 0.00 O ATOM 923 NE2 GLN A 59 15.947 -14.646 10.278 1.00 0.00 N ATOM 0 H GLN A 59 14.321 -12.302 15.187 1.00 0.00 H new ATOM 0 HA GLN A 59 12.212 -12.838 13.190 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.693 -14.521 13.720 1.00 0.00 H new ATOM 0 HB3 GLN A 59 13.355 -14.988 12.690 1.00 0.00 H new ATOM 0 HG2 GLN A 59 13.910 -13.452 11.023 1.00 0.00 H new ATOM 0 HG3 GLN A 59 14.766 -12.394 12.128 1.00 0.00 H new ATOM 0 HE21 GLN A 59 15.127 -14.620 9.672 1.00 0.00 H new ATOM 0 HE22 GLN A 59 16.803 -15.099 9.958 1.00 0.00 H new ATOM 932 N GLY A 60 11.027 -14.271 14.818 1.00 0.00 N ATOM 933 CA GLY A 60 10.294 -15.016 15.825 1.00 0.00 C ATOM 934 C GLY A 60 9.087 -15.732 15.252 1.00 0.00 C ATOM 935 O GLY A 60 8.382 -15.190 14.400 1.00 0.00 O ATOM 0 H GLY A 60 10.473 -13.980 14.013 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.959 -15.745 16.289 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.969 -14.335 16.612 1.00 0.00 H new ATOM 939 N TYR A 61 8.847 -16.952 15.720 1.00 0.00 N ATOM 940 CA TYR A 61 7.719 -17.744 15.245 1.00 0.00 C ATOM 941 C TYR A 61 6.450 -17.403 16.020 1.00 0.00 C ATOM 942 O TYR A 61 6.507 -17.002 17.183 1.00 0.00 O ATOM 943 CB TYR A 61 8.025 -19.237 15.378 1.00 0.00 C ATOM 944 CG TYR A 61 7.949 -19.747 16.799 1.00 0.00 C ATOM 945 CD1 TYR A 61 6.746 -20.192 17.334 1.00 0.00 C ATOM 946 CD2 TYR A 61 9.078 -19.782 17.607 1.00 0.00 C ATOM 947 CE1 TYR A 61 6.671 -20.658 18.633 1.00 0.00 C ATOM 948 CE2 TYR A 61 9.013 -20.248 18.906 1.00 0.00 C ATOM 949 CZ TYR A 61 7.807 -20.685 19.414 1.00 0.00 C ATOM 950 OH TYR A 61 7.737 -21.148 20.708 1.00 0.00 O ATOM 0 H TYR A 61 9.418 -17.414 16.428 1.00 0.00 H new ATOM 0 HA TYR A 61 7.557 -17.505 14.194 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.324 -19.799 14.761 1.00 0.00 H new ATOM 0 HB3 TYR A 61 9.023 -19.431 14.984 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.855 -20.173 16.724 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.023 -19.439 17.213 1.00 0.00 H new ATOM 0 HE1 TYR A 61 5.728 -20.999 19.034 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.901 -20.270 19.520 1.00 0.00 H new ATOM 0 HH TYR A 61 8.523 -20.843 21.207 1.00 0.00 H new ATOM 960 N VAL A 62 5.304 -17.567 15.367 1.00 0.00 N ATOM 961 CA VAL A 62 4.019 -17.278 15.994 1.00 0.00 C ATOM 962 C VAL A 62 2.907 -18.122 15.381 1.00 0.00 C ATOM 963 O VAL A 62 2.817 -18.287 14.164 1.00 0.00 O ATOM 964 CB VAL A 62 3.651 -15.789 15.860 1.00 0.00 C ATOM 965 CG1 VAL A 62 3.640 -15.370 14.398 1.00 0.00 C ATOM 966 CG2 VAL A 62 2.305 -15.512 16.513 1.00 0.00 C ATOM 0 H VAL A 62 5.239 -17.898 14.405 1.00 0.00 H new ATOM 0 HA VAL A 62 4.120 -17.526 17.051 1.00 0.00 H new ATOM 0 HB VAL A 62 4.408 -15.198 16.376 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.378 -14.315 14.324 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.628 -15.530 13.966 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.906 -15.965 13.854 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.061 -14.455 16.409 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.535 -16.112 16.028 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.354 -15.771 17.571 1.00 0.00 H new ATOM 976 N PRO A 63 2.037 -18.671 16.242 1.00 0.00 N ATOM 977 CA PRO A 63 0.914 -19.507 15.809 1.00 0.00 C ATOM 978 C PRO A 63 -0.160 -18.703 15.084 1.00 0.00 C ATOM 979 O PRO A 63 -0.337 -17.511 15.339 1.00 0.00 O ATOM 980 CB PRO A 63 0.365 -20.072 17.121 1.00 0.00 C ATOM 981 CG PRO A 63 0.764 -19.079 18.157 1.00 0.00 C ATOM 982 CD PRO A 63 2.084 -18.517 17.706 1.00 0.00 C ATOM 0 HA PRO A 63 1.226 -20.272 15.098 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.718 -20.188 17.080 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.783 -21.056 17.334 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.016 -18.291 18.251 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.855 -19.551 19.135 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.197 -17.473 17.997 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.922 -19.061 18.141 1.00 0.00 H new ATOM 990 N HIS A 64 -0.877 -19.362 14.179 1.00 0.00 N ATOM 991 CA HIS A 64 -1.936 -18.709 13.418 1.00 0.00 C ATOM 992 C HIS A 64 -3.035 -18.198 14.345 1.00 0.00 C ATOM 993 O HIS A 64 -3.833 -17.343 13.963 1.00 0.00 O ATOM 994 CB HIS A 64 -2.527 -19.676 12.392 1.00 0.00 C ATOM 995 CG HIS A 64 -3.250 -20.834 13.007 1.00 0.00 C ATOM 996 ND1 HIS A 64 -2.685 -22.084 13.152 1.00 0.00 N ATOM 997 CD2 HIS A 64 -4.500 -20.926 13.519 1.00 0.00 C ATOM 998 CE1 HIS A 64 -3.557 -22.895 13.724 1.00 0.00 C ATOM 999 NE2 HIS A 64 -4.666 -22.217 13.957 1.00 0.00 N ATOM 0 H HIS A 64 -0.744 -20.348 13.955 1.00 0.00 H new ATOM 0 HA HIS A 64 -1.501 -17.858 12.895 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.215 -19.131 11.745 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -1.725 -20.054 11.758 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.230 -20.132 13.573 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.391 -23.936 13.961 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -5.509 -22.591 14.392 1.00 0.00 H new ATOM 1007 N ASN A 65 -3.069 -18.728 15.563 1.00 0.00 N ATOM 1008 CA ASN A 65 -4.071 -18.326 16.543 1.00 0.00 C ATOM 1009 C ASN A 65 -3.891 -16.863 16.937 1.00 0.00 C ATOM 1010 O ASN A 65 -4.794 -16.245 17.501 1.00 0.00 O ATOM 1011 CB ASN A 65 -3.984 -19.214 17.786 1.00 0.00 C ATOM 1012 CG ASN A 65 -5.314 -19.335 18.505 1.00 0.00 C ATOM 1013 OD1 ASN A 65 -5.805 -18.369 19.090 1.00 0.00 O ATOM 1014 ND2 ASN A 65 -5.903 -20.524 18.464 1.00 0.00 N ATOM 0 H ASN A 65 -2.415 -19.437 15.895 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.055 -18.443 16.088 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.639 -20.207 17.496 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.240 -18.805 18.470 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -6.800 -20.665 18.929 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.459 -21.296 17.967 1.00 0.00 H new ATOM 1021 N TYR A 66 -2.719 -16.315 16.635 1.00 0.00 N ATOM 1022 CA TYR A 66 -2.419 -14.925 16.959 1.00 0.00 C ATOM 1023 C TYR A 66 -2.249 -14.095 15.691 1.00 0.00 C ATOM 1024 O TYR A 66 -2.780 -12.988 15.583 1.00 0.00 O ATOM 1025 CB TYR A 66 -1.151 -14.840 17.811 1.00 0.00 C ATOM 1026 CG TYR A 66 -1.249 -13.847 18.946 1.00 0.00 C ATOM 1027 CD1 TYR A 66 -2.280 -13.922 19.874 1.00 0.00 C ATOM 1028 CD2 TYR A 66 -0.311 -12.832 19.091 1.00 0.00 C ATOM 1029 CE1 TYR A 66 -2.375 -13.016 20.912 1.00 0.00 C ATOM 1030 CE2 TYR A 66 -0.396 -11.923 20.127 1.00 0.00 C ATOM 1031 CZ TYR A 66 -1.430 -12.018 21.035 1.00 0.00 C ATOM 1032 OH TYR A 66 -1.520 -11.114 22.068 1.00 0.00 O ATOM 0 H TYR A 66 -1.961 -16.812 16.166 1.00 0.00 H new ATOM 0 HA TYR A 66 -3.258 -14.522 17.526 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.932 -15.826 18.220 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.312 -14.566 17.172 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.021 -14.703 19.782 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.499 -12.753 18.381 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.184 -13.088 21.623 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.343 -11.142 20.226 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.568 -10.205 21.704 1.00 0.00 H new ATOM 1042 N LEU A 67 -1.507 -14.636 14.732 1.00 0.00 N ATOM 1043 CA LEU A 67 -1.267 -13.947 13.468 1.00 0.00 C ATOM 1044 C LEU A 67 -2.296 -14.359 12.420 1.00 0.00 C ATOM 1045 O LEU A 67 -2.852 -15.455 12.479 1.00 0.00 O ATOM 1046 CB LEU A 67 0.144 -14.249 12.960 1.00 0.00 C ATOM 1047 CG LEU A 67 0.860 -13.101 12.248 1.00 0.00 C ATOM 1048 CD1 LEU A 67 1.129 -11.958 13.214 1.00 0.00 C ATOM 1049 CD2 LEU A 67 2.158 -13.589 11.621 1.00 0.00 C ATOM 0 H LEU A 67 -1.061 -15.550 14.805 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.362 -12.875 13.643 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.754 -14.562 13.807 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.089 -15.096 12.276 1.00 0.00 H new ATOM 0 HG LEU A 67 0.212 -12.732 11.453 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.639 -11.150 12.689 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.184 -11.591 13.615 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.757 -12.313 14.032 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.654 -12.759 11.119 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.811 -13.985 12.398 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.940 -14.373 10.896 1.00 0.00 H new ATOM 1061 N ALA A 68 -2.541 -13.473 11.460 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.499 -13.746 10.396 1.00 0.00 C ATOM 1063 C ALA A 68 -3.055 -13.112 9.082 1.00 0.00 C ATOM 1064 O ALA A 68 -2.439 -12.047 9.073 1.00 0.00 O ATOM 1065 CB ALA A 68 -4.880 -13.241 10.787 1.00 0.00 C ATOM 0 H ALA A 68 -2.089 -12.561 11.397 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.546 -14.825 10.251 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.585 -13.451 9.983 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.207 -13.743 11.697 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.838 -12.166 10.961 1.00 0.00 H new ATOM 1071 N GLU A 69 -3.372 -13.775 7.974 1.00 0.00 N ATOM 1072 CA GLU A 69 -3.004 -13.275 6.654 1.00 0.00 C ATOM 1073 C GLU A 69 -3.702 -11.951 6.359 1.00 0.00 C ATOM 1074 O GLU A 69 -4.816 -11.708 6.824 1.00 0.00 O ATOM 1075 CB GLU A 69 -3.359 -14.303 5.578 1.00 0.00 C ATOM 1076 CG GLU A 69 -4.847 -14.385 5.282 1.00 0.00 C ATOM 1077 CD GLU A 69 -5.236 -15.680 4.596 1.00 0.00 C ATOM 1078 OE1 GLU A 69 -4.326 -16.442 4.207 1.00 0.00 O ATOM 1079 OE2 GLU A 69 -6.450 -15.932 4.449 1.00 0.00 O ATOM 0 H GLU A 69 -3.882 -14.658 7.964 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.927 -13.107 6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.828 -14.053 4.660 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.005 -15.284 5.894 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.405 -14.290 6.214 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.135 -13.544 4.652 1.00 0.00 H new ATOM 1086 N ARG A 70 -3.040 -11.099 5.583 1.00 0.00 N ATOM 1087 CA ARG A 70 -3.596 -9.800 5.227 1.00 0.00 C ATOM 1088 C ARG A 70 -3.561 -9.589 3.716 1.00 0.00 C ATOM 1089 O ARG A 70 -2.821 -8.743 3.215 1.00 0.00 O ATOM 1090 CB ARG A 70 -2.821 -8.681 5.926 1.00 0.00 C ATOM 1091 CG ARG A 70 -3.371 -8.325 7.298 1.00 0.00 C ATOM 1092 CD ARG A 70 -4.656 -7.519 7.191 1.00 0.00 C ATOM 1093 NE ARG A 70 -5.838 -8.377 7.160 1.00 0.00 N ATOM 1094 CZ ARG A 70 -7.059 -7.935 6.878 1.00 0.00 C ATOM 1095 NH1 ARG A 70 -7.257 -6.653 6.604 1.00 0.00 N ATOM 1096 NH2 ARG A 70 -8.085 -8.777 6.870 1.00 0.00 N ATOM 0 H ARG A 70 -2.118 -11.285 5.189 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.635 -9.775 5.557 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.778 -8.982 6.029 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.836 -7.792 5.296 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.559 -9.237 7.864 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.627 -7.753 7.852 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.727 -6.835 8.037 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.627 -6.908 6.288 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.720 -9.369 7.366 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.471 -6.003 6.609 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.195 -6.317 6.388 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.936 -9.764 7.080 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.022 -8.437 6.653 1.00 0.00 H new ATOM 1110 N GLU A 71 -4.366 -10.365 2.997 1.00 0.00 N ATOM 1111 CA GLU A 71 -4.426 -10.264 1.543 1.00 0.00 C ATOM 1112 C GLU A 71 -4.799 -8.849 1.111 1.00 0.00 C ATOM 1113 O GLU A 71 -5.590 -8.173 1.771 1.00 0.00 O ATOM 1114 CB GLU A 71 -5.438 -11.264 0.981 1.00 0.00 C ATOM 1115 CG GLU A 71 -5.141 -12.706 1.355 1.00 0.00 C ATOM 1116 CD GLU A 71 -6.167 -13.676 0.802 1.00 0.00 C ATOM 1117 OE1 GLU A 71 -7.066 -13.228 0.059 1.00 0.00 O ATOM 1118 OE2 GLU A 71 -6.073 -14.882 1.112 1.00 0.00 O ATOM 0 H GLU A 71 -4.985 -11.070 3.397 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.438 -10.498 1.147 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.433 -11.002 1.341 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.458 -11.176 -0.105 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.153 -12.977 0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.109 -12.797 2.441 1.00 0.00 H new ATOM 1125 N THR A 72 -4.223 -8.404 -0.001 1.00 0.00 N ATOM 1126 CA THR A 72 -4.492 -7.070 -0.521 1.00 0.00 C ATOM 1127 C THR A 72 -5.338 -7.134 -1.788 1.00 0.00 C ATOM 1128 O THR A 72 -5.133 -7.999 -2.640 1.00 0.00 O ATOM 1129 CB THR A 72 -3.187 -6.312 -0.827 1.00 0.00 C ATOM 1130 OG1 THR A 72 -3.485 -5.024 -1.378 1.00 0.00 O ATOM 1131 CG2 THR A 72 -2.320 -7.097 -1.800 1.00 0.00 C ATOM 0 H THR A 72 -3.566 -8.949 -0.559 1.00 0.00 H new ATOM 0 HA THR A 72 -5.041 -6.534 0.253 1.00 0.00 H new ATOM 0 HB THR A 72 -2.638 -6.189 0.106 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.650 -4.548 -1.568 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.404 -6.541 -2.001 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.070 -8.065 -1.365 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.864 -7.248 -2.732 1.00 0.00 H new TER 1139 THR A 72