USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 461 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 NoAdj-H: A 30 HIS HD1 : A 30 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 38:sc= 0.479 USER MOD Single : A 37 SER OG : rot -100:sc= -0.158 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0524 X(o=-0.052,f=0) USER MOD Single : A 46 GLN : amide:sc= -4.85! C(o=-4.8!,f=-4.5!) USER MOD Single : A 47 HIS : no HD1:sc= -0.403 X(o=-0.4,f=-0.0069) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -52:sc= 1.06 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.089 3.016 -9.280 1.00 0.00 N ATOM 2 CA GLY A 1 -16.850 4.416 -9.575 1.00 0.00 C ATOM 3 C GLY A 1 -16.648 5.247 -8.324 1.00 0.00 C ATOM 4 O GLY A 1 -15.545 5.303 -7.779 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.221 2.492 -10.168 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.274 2.626 -8.765 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.944 2.926 -8.695 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.970 4.505 -10.212 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.693 4.814 -10.139 1.00 0.00 H new ATOM 8 N SER A 2 -17.715 5.894 -7.866 1.00 0.00 N ATOM 9 CA SER A 2 -17.648 6.731 -6.674 1.00 0.00 C ATOM 10 C SER A 2 -17.153 5.928 -5.474 1.00 0.00 C ATOM 11 O SER A 2 -17.587 4.798 -5.248 1.00 0.00 O ATOM 12 CB SER A 2 -19.022 7.331 -6.369 1.00 0.00 C ATOM 13 OG SER A 2 -18.899 8.583 -5.717 1.00 0.00 O ATOM 0 H SER A 2 -18.636 5.855 -8.302 1.00 0.00 H new ATOM 0 HA SER A 2 -16.941 7.538 -6.866 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.582 7.454 -7.296 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.591 6.645 -5.741 1.00 0.00 H new ATOM 0 HG SER A 2 -19.791 8.946 -5.535 1.00 0.00 H new ATOM 19 N SER A 3 -16.243 6.521 -4.709 1.00 0.00 N ATOM 20 CA SER A 3 -15.685 5.861 -3.534 1.00 0.00 C ATOM 21 C SER A 3 -16.524 6.158 -2.295 1.00 0.00 C ATOM 22 O SER A 3 -17.118 7.229 -2.175 1.00 0.00 O ATOM 23 CB SER A 3 -14.241 6.312 -3.307 1.00 0.00 C ATOM 24 OG SER A 3 -14.160 7.722 -3.187 1.00 0.00 O ATOM 0 H SER A 3 -15.876 7.457 -4.881 1.00 0.00 H new ATOM 0 HA SER A 3 -15.698 4.786 -3.711 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.848 5.844 -2.404 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.618 5.978 -4.136 1.00 0.00 H new ATOM 0 HG SER A 3 -13.227 7.985 -3.041 1.00 0.00 H new ATOM 30 N GLY A 4 -16.567 5.200 -1.373 1.00 0.00 N ATOM 31 CA GLY A 4 -17.335 5.377 -0.155 1.00 0.00 C ATOM 32 C GLY A 4 -16.501 5.164 1.093 1.00 0.00 C ATOM 33 O GLY A 4 -15.324 5.522 1.129 1.00 0.00 O ATOM 0 H GLY A 4 -16.084 4.305 -1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.758 6.382 -0.139 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.172 4.679 -0.152 1.00 0.00 H new ATOM 37 N SER A 5 -17.112 4.580 2.119 1.00 0.00 N ATOM 38 CA SER A 5 -16.419 4.324 3.376 1.00 0.00 C ATOM 39 C SER A 5 -15.064 3.668 3.126 1.00 0.00 C ATOM 40 O SER A 5 -14.032 4.153 3.590 1.00 0.00 O ATOM 41 CB SER A 5 -17.271 3.431 4.280 1.00 0.00 C ATOM 42 OG SER A 5 -16.569 3.082 5.460 1.00 0.00 O ATOM 0 H SER A 5 -18.085 4.275 2.104 1.00 0.00 H new ATOM 0 HA SER A 5 -16.254 5.280 3.872 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.194 3.948 4.542 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.554 2.527 3.741 1.00 0.00 H new ATOM 0 HG SER A 5 -17.136 2.513 6.021 1.00 0.00 H new ATOM 48 N SER A 6 -15.076 2.561 2.390 1.00 0.00 N ATOM 49 CA SER A 6 -13.850 1.835 2.081 1.00 0.00 C ATOM 50 C SER A 6 -13.532 1.915 0.591 1.00 0.00 C ATOM 51 O SER A 6 -14.242 1.346 -0.238 1.00 0.00 O ATOM 52 CB SER A 6 -13.977 0.372 2.510 1.00 0.00 C ATOM 53 OG SER A 6 -15.113 -0.236 1.919 1.00 0.00 O ATOM 0 H SER A 6 -15.921 2.147 1.997 1.00 0.00 H new ATOM 0 HA SER A 6 -13.033 2.298 2.634 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.078 -0.174 2.223 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.053 0.313 3.596 1.00 0.00 H new ATOM 0 HG SER A 6 -15.223 0.096 1.003 1.00 0.00 H new ATOM 59 N GLY A 7 -12.460 2.627 0.258 1.00 0.00 N ATOM 60 CA GLY A 7 -12.066 2.769 -1.131 1.00 0.00 C ATOM 61 C GLY A 7 -10.685 2.206 -1.403 1.00 0.00 C ATOM 62 O GLY A 7 -9.977 1.805 -0.479 1.00 0.00 O ATOM 0 H GLY A 7 -11.857 3.108 0.926 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.793 2.262 -1.765 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.085 3.824 -1.405 1.00 0.00 H new ATOM 66 N CYS A 8 -10.300 2.174 -2.675 1.00 0.00 N ATOM 67 CA CYS A 8 -8.996 1.654 -3.067 1.00 0.00 C ATOM 68 C CYS A 8 -8.095 2.775 -3.577 1.00 0.00 C ATOM 69 O CYS A 8 -8.292 3.295 -4.674 1.00 0.00 O ATOM 70 CB CYS A 8 -9.154 0.582 -4.146 1.00 0.00 C ATOM 71 SG CYS A 8 -7.578 -0.084 -4.770 1.00 0.00 S ATOM 0 H CYS A 8 -10.873 2.502 -3.452 1.00 0.00 H new ATOM 0 HA CYS A 8 -8.531 1.209 -2.187 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.749 -0.238 -3.744 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.714 1.002 -4.981 1.00 0.00 H new ATOM 76 N GLY A 9 -7.103 3.143 -2.771 1.00 0.00 N ATOM 77 CA GLY A 9 -6.186 4.199 -3.157 1.00 0.00 C ATOM 78 C GLY A 9 -5.529 3.935 -4.497 1.00 0.00 C ATOM 79 O GLY A 9 -5.158 4.868 -5.209 1.00 0.00 O ATOM 0 H GLY A 9 -6.919 2.728 -1.858 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.724 5.146 -3.200 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.416 4.305 -2.393 1.00 0.00 H new ATOM 83 N GLY A 10 -5.383 2.659 -4.842 1.00 0.00 N ATOM 84 CA GLY A 10 -4.764 2.298 -6.104 1.00 0.00 C ATOM 85 C GLY A 10 -5.636 2.638 -7.296 1.00 0.00 C ATOM 86 O GLY A 10 -5.335 3.562 -8.052 1.00 0.00 O ATOM 0 H GLY A 10 -5.682 1.869 -4.270 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.809 2.815 -6.197 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.550 1.229 -6.107 1.00 0.00 H new ATOM 90 N CYS A 11 -6.720 1.888 -7.466 1.00 0.00 N ATOM 91 CA CYS A 11 -7.639 2.112 -8.576 1.00 0.00 C ATOM 92 C CYS A 11 -8.777 3.041 -8.161 1.00 0.00 C ATOM 93 O CYS A 11 -9.092 4.003 -8.859 1.00 0.00 O ATOM 94 CB CYS A 11 -8.207 0.781 -9.072 1.00 0.00 C ATOM 95 SG CYS A 11 -8.928 -0.255 -7.758 1.00 0.00 S ATOM 0 H CYS A 11 -6.984 1.120 -6.849 1.00 0.00 H new ATOM 0 HA CYS A 11 -7.083 2.586 -9.385 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.972 0.982 -9.823 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.413 0.221 -9.567 1.00 0.00 H new ATOM 100 N GLY A 12 -9.389 2.744 -7.019 1.00 0.00 N ATOM 101 CA GLY A 12 -10.484 3.561 -6.530 1.00 0.00 C ATOM 102 C GLY A 12 -11.680 2.732 -6.104 1.00 0.00 C ATOM 103 O GLY A 12 -12.482 3.167 -5.279 1.00 0.00 O ATOM 0 H GLY A 12 -9.146 1.952 -6.424 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.139 4.157 -5.685 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.789 4.259 -7.310 1.00 0.00 H new ATOM 107 N GLU A 13 -11.801 1.536 -6.671 1.00 0.00 N ATOM 108 CA GLU A 13 -12.910 0.646 -6.347 1.00 0.00 C ATOM 109 C GLU A 13 -13.006 0.423 -4.840 1.00 0.00 C ATOM 110 O GLU A 13 -12.017 0.553 -4.119 1.00 0.00 O ATOM 111 CB GLU A 13 -12.743 -0.696 -7.063 1.00 0.00 C ATOM 112 CG GLU A 13 -12.650 -0.572 -8.574 1.00 0.00 C ATOM 113 CD GLU A 13 -12.563 -1.918 -9.266 1.00 0.00 C ATOM 114 OE1 GLU A 13 -13.233 -2.866 -8.805 1.00 0.00 O ATOM 115 OE2 GLU A 13 -11.824 -2.024 -10.267 1.00 0.00 O ATOM 0 H GLU A 13 -11.145 1.161 -7.357 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.832 1.118 -6.687 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.844 -1.187 -6.691 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.585 -1.340 -6.811 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.522 -0.033 -8.945 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.774 0.023 -8.833 1.00 0.00 H new ATOM 122 N ASP A 14 -14.203 0.086 -4.373 1.00 0.00 N ATOM 123 CA ASP A 14 -14.428 -0.156 -2.953 1.00 0.00 C ATOM 124 C ASP A 14 -13.638 -1.371 -2.476 1.00 0.00 C ATOM 125 O ASP A 14 -13.642 -2.419 -3.121 1.00 0.00 O ATOM 126 CB ASP A 14 -15.919 -0.363 -2.679 1.00 0.00 C ATOM 127 CG ASP A 14 -16.770 0.769 -3.222 1.00 0.00 C ATOM 128 OD1 ASP A 14 -16.702 1.882 -2.662 1.00 0.00 O ATOM 129 OD2 ASP A 14 -17.504 0.540 -4.206 1.00 0.00 O ATOM 0 H ASP A 14 -15.032 -0.026 -4.957 1.00 0.00 H new ATOM 0 HA ASP A 14 -14.083 0.719 -2.402 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -16.241 -1.303 -3.127 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -16.079 -0.451 -1.604 1.00 0.00 H new ATOM 134 N VAL A 15 -12.959 -1.221 -1.343 1.00 0.00 N ATOM 135 CA VAL A 15 -12.164 -2.306 -0.780 1.00 0.00 C ATOM 136 C VAL A 15 -12.846 -2.911 0.442 1.00 0.00 C ATOM 137 O VAL A 15 -12.844 -2.322 1.523 1.00 0.00 O ATOM 138 CB VAL A 15 -10.757 -1.821 -0.381 1.00 0.00 C ATOM 139 CG1 VAL A 15 -9.974 -2.944 0.283 1.00 0.00 C ATOM 140 CG2 VAL A 15 -10.014 -1.287 -1.596 1.00 0.00 C ATOM 0 H VAL A 15 -12.944 -0.359 -0.797 1.00 0.00 H new ATOM 0 HA VAL A 15 -12.073 -3.067 -1.555 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.861 -1.009 0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.983 -2.583 0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.501 -3.275 1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.877 -3.779 -0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.022 -0.949 -1.296 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.918 -2.078 -2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.569 -0.452 -2.023 1.00 0.00 H new ATOM 150 N VAL A 16 -13.431 -4.091 0.262 1.00 0.00 N ATOM 151 CA VAL A 16 -14.116 -4.778 1.350 1.00 0.00 C ATOM 152 C VAL A 16 -13.898 -6.285 1.273 1.00 0.00 C ATOM 153 O VAL A 16 -13.962 -6.878 0.196 1.00 0.00 O ATOM 154 CB VAL A 16 -15.629 -4.488 1.333 1.00 0.00 C ATOM 155 CG1 VAL A 16 -16.212 -4.774 -0.043 1.00 0.00 C ATOM 156 CG2 VAL A 16 -16.340 -5.303 2.402 1.00 0.00 C ATOM 0 H VAL A 16 -13.444 -4.591 -0.627 1.00 0.00 H new ATOM 0 HA VAL A 16 -13.691 -4.399 2.280 1.00 0.00 H new ATOM 0 HB VAL A 16 -15.781 -3.431 1.553 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -17.281 -4.564 -0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -15.723 -4.142 -0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -16.050 -5.822 -0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -17.408 -5.085 2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -16.181 -6.365 2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -15.941 -5.043 3.383 1.00 0.00 H new ATOM 166 N GLY A 17 -13.641 -6.901 2.423 1.00 0.00 N ATOM 167 CA GLY A 17 -13.418 -8.334 2.464 1.00 0.00 C ATOM 168 C GLY A 17 -12.406 -8.734 3.520 1.00 0.00 C ATOM 169 O GLY A 17 -11.202 -8.555 3.334 1.00 0.00 O ATOM 0 H GLY A 17 -13.583 -6.433 3.327 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -14.363 -8.840 2.661 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -13.072 -8.673 1.487 1.00 0.00 H new ATOM 173 N ASP A 18 -12.895 -9.274 4.630 1.00 0.00 N ATOM 174 CA ASP A 18 -12.025 -9.699 5.721 1.00 0.00 C ATOM 175 C ASP A 18 -10.921 -10.619 5.208 1.00 0.00 C ATOM 176 O ASP A 18 -11.154 -11.797 4.941 1.00 0.00 O ATOM 177 CB ASP A 18 -12.838 -10.412 6.802 1.00 0.00 C ATOM 178 CG ASP A 18 -12.087 -10.521 8.114 1.00 0.00 C ATOM 179 OD1 ASP A 18 -10.989 -11.117 8.122 1.00 0.00 O ATOM 180 OD2 ASP A 18 -12.596 -10.009 9.133 1.00 0.00 O ATOM 0 H ASP A 18 -13.889 -9.428 4.799 1.00 0.00 H new ATOM 0 HA ASP A 18 -11.563 -8.811 6.152 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.772 -9.873 6.965 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.103 -11.411 6.454 1.00 0.00 H new ATOM 185 N GLY A 19 -9.717 -10.071 5.071 1.00 0.00 N ATOM 186 CA GLY A 19 -8.595 -10.855 4.590 1.00 0.00 C ATOM 187 C GLY A 19 -7.961 -10.259 3.349 1.00 0.00 C ATOM 188 O GLY A 19 -6.746 -10.335 3.167 1.00 0.00 O ATOM 0 H GLY A 19 -9.499 -9.098 5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.845 -10.931 5.377 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.931 -11.869 4.372 1.00 0.00 H new ATOM 192 N ALA A 20 -8.785 -9.665 2.492 1.00 0.00 N ATOM 193 CA ALA A 20 -8.297 -9.053 1.262 1.00 0.00 C ATOM 194 C ALA A 20 -7.822 -7.626 1.510 1.00 0.00 C ATOM 195 O ALA A 20 -6.631 -7.333 1.415 1.00 0.00 O ATOM 196 CB ALA A 20 -9.383 -9.073 0.196 1.00 0.00 C ATOM 0 H ALA A 20 -9.794 -9.595 2.627 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.446 -9.635 0.908 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.005 -8.613 -0.717 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.672 -10.104 -0.010 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.251 -8.517 0.550 1.00 0.00 H new ATOM 202 N GLY A 21 -8.762 -6.741 1.827 1.00 0.00 N ATOM 203 CA GLY A 21 -8.419 -5.354 2.083 1.00 0.00 C ATOM 204 C GLY A 21 -7.067 -5.205 2.752 1.00 0.00 C ATOM 205 O GLY A 21 -6.818 -5.793 3.805 1.00 0.00 O ATOM 0 H GLY A 21 -9.755 -6.960 1.911 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -8.418 -4.804 1.142 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.185 -4.904 2.715 1.00 0.00 H new ATOM 209 N VAL A 22 -6.188 -4.418 2.138 1.00 0.00 N ATOM 210 CA VAL A 22 -4.853 -4.194 2.680 1.00 0.00 C ATOM 211 C VAL A 22 -4.661 -2.736 3.083 1.00 0.00 C ATOM 212 O VAL A 22 -4.817 -1.829 2.266 1.00 0.00 O ATOM 213 CB VAL A 22 -3.763 -4.582 1.664 1.00 0.00 C ATOM 214 CG1 VAL A 22 -2.379 -4.321 2.240 1.00 0.00 C ATOM 215 CG2 VAL A 22 -3.912 -6.039 1.253 1.00 0.00 C ATOM 0 H VAL A 22 -6.377 -3.925 1.265 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.759 -4.827 3.562 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.883 -3.963 0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.622 -4.601 1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.278 -3.262 2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.244 -4.912 3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.133 -6.296 0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.819 -6.676 2.132 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.890 -6.190 0.797 1.00 0.00 H new ATOM 225 N VAL A 23 -4.321 -2.518 4.350 1.00 0.00 N ATOM 226 CA VAL A 23 -4.106 -1.170 4.862 1.00 0.00 C ATOM 227 C VAL A 23 -2.619 -0.839 4.930 1.00 0.00 C ATOM 228 O VAL A 23 -1.852 -1.520 5.610 1.00 0.00 O ATOM 229 CB VAL A 23 -4.724 -0.997 6.263 1.00 0.00 C ATOM 230 CG1 VAL A 23 -4.452 0.401 6.797 1.00 0.00 C ATOM 231 CG2 VAL A 23 -6.218 -1.281 6.224 1.00 0.00 C ATOM 0 H VAL A 23 -4.189 -3.257 5.040 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.596 -0.486 4.169 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.259 -1.715 6.939 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.896 0.505 7.787 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.376 0.562 6.863 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.889 1.139 6.124 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.639 -1.154 7.222 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.702 -0.589 5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.385 -2.304 5.887 1.00 0.00 H new ATOM 241 N ALA A 24 -2.220 0.212 4.221 1.00 0.00 N ATOM 242 CA ALA A 24 -0.825 0.635 4.203 1.00 0.00 C ATOM 243 C ALA A 24 -0.713 2.144 4.010 1.00 0.00 C ATOM 244 O ALA A 24 -1.421 2.730 3.191 1.00 0.00 O ATOM 245 CB ALA A 24 -0.066 -0.097 3.107 1.00 0.00 C ATOM 0 H ALA A 24 -2.843 0.786 3.652 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.381 0.384 5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.974 0.229 3.105 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.110 -1.171 3.289 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.518 0.126 2.140 1.00 0.00 H new ATOM 251 N LEU A 25 0.182 2.767 4.770 1.00 0.00 N ATOM 252 CA LEU A 25 0.387 4.209 4.683 1.00 0.00 C ATOM 253 C LEU A 25 -0.924 4.959 4.892 1.00 0.00 C ATOM 254 O LEU A 25 -1.214 5.930 4.192 1.00 0.00 O ATOM 255 CB LEU A 25 0.988 4.577 3.325 1.00 0.00 C ATOM 256 CG LEU A 25 2.252 3.818 2.922 1.00 0.00 C ATOM 257 CD1 LEU A 25 2.388 3.772 1.408 1.00 0.00 C ATOM 258 CD2 LEU A 25 3.482 4.458 3.550 1.00 0.00 C ATOM 0 H LEU A 25 0.776 2.297 5.452 1.00 0.00 H new ATOM 0 HA LEU A 25 1.080 4.501 5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.230 4.413 2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.214 5.643 3.327 1.00 0.00 H new ATOM 0 HG LEU A 25 2.171 2.795 3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.294 3.228 1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.522 3.268 0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.446 4.788 1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.372 3.904 3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.567 5.491 3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.388 4.438 4.636 1.00 0.00 H new ATOM 270 N ASP A 26 -1.712 4.504 5.860 1.00 0.00 N ATOM 271 CA ASP A 26 -2.992 5.135 6.164 1.00 0.00 C ATOM 272 C ASP A 26 -3.911 5.111 4.948 1.00 0.00 C ATOM 273 O ASP A 26 -4.722 6.018 4.752 1.00 0.00 O ATOM 274 CB ASP A 26 -2.777 6.576 6.629 1.00 0.00 C ATOM 275 CG ASP A 26 -2.612 6.681 8.133 1.00 0.00 C ATOM 276 OD1 ASP A 26 -3.639 6.704 8.842 1.00 0.00 O ATOM 277 OD2 ASP A 26 -1.455 6.739 8.600 1.00 0.00 O ATOM 0 H ASP A 26 -1.487 3.701 6.448 1.00 0.00 H new ATOM 0 HA ASP A 26 -3.466 4.570 6.967 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.892 6.984 6.140 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.624 7.186 6.316 1.00 0.00 H new ATOM 282 N ARG A 27 -3.780 4.070 4.132 1.00 0.00 N ATOM 283 CA ARG A 27 -4.597 3.930 2.933 1.00 0.00 C ATOM 284 C ARG A 27 -5.038 2.482 2.742 1.00 0.00 C ATOM 285 O ARG A 27 -4.663 1.601 3.515 1.00 0.00 O ATOM 286 CB ARG A 27 -3.822 4.406 1.703 1.00 0.00 C ATOM 287 CG ARG A 27 -3.925 5.902 1.459 1.00 0.00 C ATOM 288 CD ARG A 27 -5.095 6.239 0.548 1.00 0.00 C ATOM 289 NE ARG A 27 -5.110 7.651 0.176 1.00 0.00 N ATOM 290 CZ ARG A 27 -4.590 8.119 -0.953 1.00 0.00 C ATOM 291 NH1 ARG A 27 -4.018 7.291 -1.817 1.00 0.00 N ATOM 292 NH2 ARG A 27 -4.643 9.418 -1.221 1.00 0.00 N ATOM 0 H ARG A 27 -3.115 3.311 4.280 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.486 4.549 3.055 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.772 4.137 1.819 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.191 3.877 0.824 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.043 6.420 2.411 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.999 6.263 1.012 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.041 5.627 -0.353 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.029 5.986 1.049 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.544 8.314 0.818 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.977 6.292 -1.615 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.620 7.653 -2.683 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.083 10.058 -0.560 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.243 9.777 -2.088 1.00 0.00 H new ATOM 306 N VAL A 28 -5.838 2.244 1.707 1.00 0.00 N ATOM 307 CA VAL A 28 -6.330 0.904 1.414 1.00 0.00 C ATOM 308 C VAL A 28 -6.059 0.524 -0.038 1.00 0.00 C ATOM 309 O VAL A 28 -6.312 1.308 -0.953 1.00 0.00 O ATOM 310 CB VAL A 28 -7.841 0.787 1.689 1.00 0.00 C ATOM 311 CG1 VAL A 28 -8.343 -0.603 1.333 1.00 0.00 C ATOM 312 CG2 VAL A 28 -8.143 1.116 3.144 1.00 0.00 C ATOM 0 H VAL A 28 -6.159 2.962 1.058 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.794 0.220 2.072 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.365 1.507 1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.412 -0.666 1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.161 -0.796 0.276 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.816 -1.345 1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.215 1.029 3.322 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.610 0.421 3.792 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.821 2.134 3.361 1.00 0.00 H new ATOM 322 N PHE A 29 -5.542 -0.683 -0.241 1.00 0.00 N ATOM 323 CA PHE A 29 -5.236 -1.167 -1.582 1.00 0.00 C ATOM 324 C PHE A 29 -5.577 -2.648 -1.717 1.00 0.00 C ATOM 325 O PHE A 29 -5.276 -3.449 -0.831 1.00 0.00 O ATOM 326 CB PHE A 29 -3.757 -0.942 -1.903 1.00 0.00 C ATOM 327 CG PHE A 29 -3.288 0.457 -1.620 1.00 0.00 C ATOM 328 CD1 PHE A 29 -2.812 0.802 -0.366 1.00 0.00 C ATOM 329 CD2 PHE A 29 -3.324 1.427 -2.609 1.00 0.00 C ATOM 330 CE1 PHE A 29 -2.381 2.088 -0.102 1.00 0.00 C ATOM 331 CE2 PHE A 29 -2.894 2.715 -2.352 1.00 0.00 C ATOM 332 CZ PHE A 29 -2.421 3.046 -1.097 1.00 0.00 C ATOM 0 H PHE A 29 -5.326 -1.344 0.506 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.845 -0.606 -2.291 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.157 -1.642 -1.322 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.583 -1.169 -2.955 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.777 0.057 0.415 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.692 1.173 -3.592 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.013 2.344 0.881 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.928 3.462 -3.131 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.083 4.051 -0.894 1.00 0.00 H new ATOM 342 N HIS A 30 -6.207 -3.005 -2.832 1.00 0.00 N ATOM 343 CA HIS A 30 -6.590 -4.390 -3.084 1.00 0.00 C ATOM 344 C HIS A 30 -5.364 -5.297 -3.105 1.00 0.00 C ATOM 345 O HIS A 30 -4.322 -4.938 -3.656 1.00 0.00 O ATOM 346 CB HIS A 30 -7.344 -4.500 -4.409 1.00 0.00 C ATOM 347 CG HIS A 30 -8.773 -4.059 -4.324 1.00 0.00 C ATOM 348 ND1 HIS A 30 -9.221 -2.858 -4.832 1.00 0.00 N ATOM 349 CD2 HIS A 30 -9.856 -4.668 -3.789 1.00 0.00 C ATOM 350 CE1 HIS A 30 -10.519 -2.746 -4.610 1.00 0.00 C ATOM 351 NE2 HIS A 30 -10.929 -3.831 -3.978 1.00 0.00 N ATOM 0 H HIS A 30 -6.463 -2.355 -3.575 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.245 -4.713 -2.275 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -6.831 -3.899 -5.160 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.311 -5.534 -4.751 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -9.874 -5.633 -3.304 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -11.139 -1.910 -4.897 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -11.886 -4.017 -3.679 1.00 0.00 H new ATOM 359 N VAL A 31 -5.494 -6.475 -2.503 1.00 0.00 N ATOM 360 CA VAL A 31 -4.397 -7.434 -2.453 1.00 0.00 C ATOM 361 C VAL A 31 -3.589 -7.412 -3.746 1.00 0.00 C ATOM 362 O VAL A 31 -2.382 -7.651 -3.740 1.00 0.00 O ATOM 363 CB VAL A 31 -4.912 -8.864 -2.207 1.00 0.00 C ATOM 364 CG1 VAL A 31 -5.615 -8.954 -0.861 1.00 0.00 C ATOM 365 CG2 VAL A 31 -5.840 -9.297 -3.332 1.00 0.00 C ATOM 0 H VAL A 31 -6.349 -6.788 -2.043 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.756 -7.139 -1.622 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.058 -9.541 -2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.972 -9.972 -0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.917 -8.688 -0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.461 -8.266 -0.845 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.194 -10.310 -3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.691 -8.618 -3.383 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.300 -9.273 -4.279 1.00 0.00 H new ATOM 375 N GLY A 32 -4.264 -7.123 -4.854 1.00 0.00 N ATOM 376 CA GLY A 32 -3.593 -7.074 -6.140 1.00 0.00 C ATOM 377 C GLY A 32 -3.045 -5.697 -6.457 1.00 0.00 C ATOM 378 O GLY A 32 -1.877 -5.554 -6.822 1.00 0.00 O ATOM 0 H GLY A 32 -5.264 -6.922 -4.884 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.777 -7.797 -6.148 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.291 -7.372 -6.922 1.00 0.00 H new ATOM 382 N CYS A 33 -3.888 -4.680 -6.318 1.00 0.00 N ATOM 383 CA CYS A 33 -3.484 -3.307 -6.594 1.00 0.00 C ATOM 384 C CYS A 33 -2.221 -2.946 -5.817 1.00 0.00 C ATOM 385 O CYS A 33 -1.316 -2.301 -6.348 1.00 0.00 O ATOM 386 CB CYS A 33 -4.612 -2.338 -6.233 1.00 0.00 C ATOM 387 SG CYS A 33 -6.112 -2.532 -7.248 1.00 0.00 S ATOM 0 H CYS A 33 -4.857 -4.781 -6.015 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.271 -3.225 -7.660 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.875 -2.478 -5.185 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.246 -1.316 -6.336 1.00 0.00 H new ATOM 392 N PHE A 34 -2.166 -3.366 -4.558 1.00 0.00 N ATOM 393 CA PHE A 34 -1.015 -3.087 -3.708 1.00 0.00 C ATOM 394 C PHE A 34 0.252 -3.711 -4.285 1.00 0.00 C ATOM 395 O PHE A 34 0.463 -4.920 -4.186 1.00 0.00 O ATOM 396 CB PHE A 34 -1.259 -3.617 -2.293 1.00 0.00 C ATOM 397 CG PHE A 34 -0.287 -3.086 -1.278 1.00 0.00 C ATOM 398 CD1 PHE A 34 -0.180 -1.723 -1.048 1.00 0.00 C ATOM 399 CD2 PHE A 34 0.521 -3.949 -0.555 1.00 0.00 C ATOM 400 CE1 PHE A 34 0.713 -1.231 -0.115 1.00 0.00 C ATOM 401 CE2 PHE A 34 1.415 -3.462 0.380 1.00 0.00 C ATOM 402 CZ PHE A 34 1.512 -2.102 0.599 1.00 0.00 C ATOM 0 H PHE A 34 -2.906 -3.901 -4.103 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.880 -2.006 -3.666 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.272 -3.356 -1.986 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.200 -4.705 -2.306 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.802 -1.038 -1.605 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.451 -5.013 -0.724 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.786 -0.167 0.055 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.037 -4.145 0.939 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.212 -1.720 1.328 1.00 0.00 H new ATOM 412 N VAL A 35 1.092 -2.877 -4.890 1.00 0.00 N ATOM 413 CA VAL A 35 2.339 -3.346 -5.484 1.00 0.00 C ATOM 414 C VAL A 35 3.416 -2.269 -5.421 1.00 0.00 C ATOM 415 O VAL A 35 3.132 -1.107 -5.131 1.00 0.00 O ATOM 416 CB VAL A 35 2.137 -3.770 -6.950 1.00 0.00 C ATOM 417 CG1 VAL A 35 0.990 -4.762 -7.067 1.00 0.00 C ATOM 418 CG2 VAL A 35 1.891 -2.552 -7.828 1.00 0.00 C ATOM 0 H VAL A 35 0.932 -1.874 -4.982 1.00 0.00 H new ATOM 0 HA VAL A 35 2.661 -4.211 -4.905 1.00 0.00 H new ATOM 0 HB VAL A 35 3.047 -4.261 -7.296 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.863 -5.050 -8.111 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.212 -5.647 -6.471 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.072 -4.301 -6.703 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.750 -2.870 -8.861 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.998 -2.030 -7.484 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.748 -1.882 -7.769 1.00 0.00 H new ATOM 428 N CYS A 36 4.655 -2.663 -5.695 1.00 0.00 N ATOM 429 CA CYS A 36 5.777 -1.732 -5.670 1.00 0.00 C ATOM 430 C CYS A 36 5.488 -0.508 -6.534 1.00 0.00 C ATOM 431 O CYS A 36 4.546 -0.503 -7.326 1.00 0.00 O ATOM 432 CB CYS A 36 7.052 -2.424 -6.158 1.00 0.00 C ATOM 433 SG CYS A 36 8.578 -1.481 -5.840 1.00 0.00 S ATOM 0 H CYS A 36 4.908 -3.621 -5.937 1.00 0.00 H new ATOM 0 HA CYS A 36 5.921 -1.403 -4.641 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.132 -3.398 -5.675 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.967 -2.606 -7.229 1.00 0.00 H new ATOM 438 N SER A 37 6.305 0.528 -6.375 1.00 0.00 N ATOM 439 CA SER A 37 6.135 1.760 -7.137 1.00 0.00 C ATOM 440 C SER A 37 7.039 1.767 -8.366 1.00 0.00 C ATOM 441 O SER A 37 6.751 2.434 -9.361 1.00 0.00 O ATOM 442 CB SER A 37 6.439 2.974 -6.259 1.00 0.00 C ATOM 443 OG SER A 37 5.320 3.320 -5.461 1.00 0.00 O ATOM 0 H SER A 37 7.091 0.539 -5.725 1.00 0.00 H new ATOM 0 HA SER A 37 5.098 1.812 -7.470 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.294 2.758 -5.618 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.717 3.820 -6.887 1.00 0.00 H new ATOM 0 HG SER A 37 4.847 4.074 -5.871 1.00 0.00 H new ATOM 449 N THR A 38 8.137 1.020 -8.290 1.00 0.00 N ATOM 450 CA THR A 38 9.085 0.941 -9.394 1.00 0.00 C ATOM 451 C THR A 38 8.845 -0.307 -10.236 1.00 0.00 C ATOM 452 O THR A 38 8.410 -0.219 -11.385 1.00 0.00 O ATOM 453 CB THR A 38 10.539 0.931 -8.886 1.00 0.00 C ATOM 454 OG1 THR A 38 10.821 2.147 -8.184 1.00 0.00 O ATOM 455 CG2 THR A 38 11.515 0.769 -10.041 1.00 0.00 C ATOM 0 H THR A 38 8.391 0.461 -7.475 1.00 0.00 H new ATOM 0 HA THR A 38 8.929 1.827 -10.009 1.00 0.00 H new ATOM 0 HB THR A 38 10.658 0.085 -8.209 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.747 2.132 -7.863 1.00 0.00 H new ATOM 0 HG21 THR A 38 12.535 0.765 -9.657 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.317 -0.171 -10.556 1.00 0.00 H new ATOM 0 HG23 THR A 38 11.393 1.597 -10.739 1.00 0.00 H new ATOM 463 N CYS A 39 9.130 -1.469 -9.659 1.00 0.00 N ATOM 464 CA CYS A 39 8.945 -2.736 -10.356 1.00 0.00 C ATOM 465 C CYS A 39 7.474 -3.141 -10.367 1.00 0.00 C ATOM 466 O CYS A 39 7.067 -4.021 -11.126 1.00 0.00 O ATOM 467 CB CYS A 39 9.783 -3.833 -9.695 1.00 0.00 C ATOM 468 SG CYS A 39 9.045 -4.519 -8.178 1.00 0.00 S ATOM 0 H CYS A 39 9.490 -1.560 -8.709 1.00 0.00 H new ATOM 0 HA CYS A 39 9.276 -2.607 -11.387 1.00 0.00 H new ATOM 0 HB2 CYS A 39 9.934 -4.641 -10.411 1.00 0.00 H new ATOM 0 HB3 CYS A 39 10.767 -3.430 -9.457 1.00 0.00 H new ATOM 473 N ARG A 40 6.681 -2.493 -9.519 1.00 0.00 N ATOM 474 CA ARG A 40 5.256 -2.786 -9.430 1.00 0.00 C ATOM 475 C ARG A 40 5.021 -4.272 -9.176 1.00 0.00 C ATOM 476 O ARG A 40 4.144 -4.885 -9.784 1.00 0.00 O ATOM 477 CB ARG A 40 4.545 -2.359 -10.715 1.00 0.00 C ATOM 478 CG ARG A 40 4.218 -0.875 -10.767 1.00 0.00 C ATOM 479 CD ARG A 40 5.469 -0.037 -10.980 1.00 0.00 C ATOM 480 NE ARG A 40 5.183 1.199 -11.703 1.00 0.00 N ATOM 481 CZ ARG A 40 4.914 1.244 -13.003 1.00 0.00 C ATOM 482 NH1 ARG A 40 4.894 0.128 -13.719 1.00 0.00 N ATOM 483 NH2 ARG A 40 4.663 2.408 -13.590 1.00 0.00 N ATOM 0 H ARG A 40 7.002 -1.762 -8.884 1.00 0.00 H new ATOM 0 HA ARG A 40 4.847 -2.223 -8.592 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.172 -2.614 -11.569 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.622 -2.929 -10.816 1.00 0.00 H new ATOM 0 HG2 ARG A 40 3.510 -0.685 -11.574 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.732 -0.576 -9.839 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.914 0.203 -10.014 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.205 -0.619 -11.534 1.00 0.00 H new ATOM 0 HE ARG A 40 5.190 2.076 -11.181 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.086 -0.768 -13.272 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.687 0.166 -14.717 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.677 3.269 -13.043 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.457 2.442 -14.588 1.00 0.00 H new ATOM 497 N ALA A 41 5.812 -4.845 -8.274 1.00 0.00 N ATOM 498 CA ALA A 41 5.689 -6.258 -7.939 1.00 0.00 C ATOM 499 C ALA A 41 4.624 -6.478 -6.869 1.00 0.00 C ATOM 500 O ALA A 41 4.341 -5.585 -6.071 1.00 0.00 O ATOM 501 CB ALA A 41 7.029 -6.808 -7.473 1.00 0.00 C ATOM 0 H ALA A 41 6.544 -4.352 -7.763 1.00 0.00 H new ATOM 0 HA ALA A 41 5.381 -6.794 -8.837 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.923 -7.864 -7.226 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.766 -6.694 -8.268 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.360 -6.261 -6.590 1.00 0.00 H new ATOM 507 N GLN A 42 4.038 -7.671 -6.860 1.00 0.00 N ATOM 508 CA GLN A 42 3.004 -8.006 -5.889 1.00 0.00 C ATOM 509 C GLN A 42 3.563 -7.989 -4.470 1.00 0.00 C ATOM 510 O GLN A 42 4.399 -8.820 -4.111 1.00 0.00 O ATOM 511 CB GLN A 42 2.410 -9.381 -6.199 1.00 0.00 C ATOM 512 CG GLN A 42 1.216 -9.331 -7.138 1.00 0.00 C ATOM 513 CD GLN A 42 0.238 -10.465 -6.901 1.00 0.00 C ATOM 514 OE1 GLN A 42 0.622 -11.634 -6.871 1.00 0.00 O ATOM 515 NE2 GLN A 42 -1.034 -10.125 -6.729 1.00 0.00 N ATOM 0 H GLN A 42 4.262 -8.421 -7.514 1.00 0.00 H new ATOM 0 HA GLN A 42 2.218 -7.254 -5.959 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.183 -10.010 -6.641 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.108 -9.856 -5.266 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.700 -8.379 -7.013 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.568 -9.369 -8.169 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -1.308 -9.143 -6.762 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.737 -10.846 -6.564 1.00 0.00 H new ATOM 524 N LEU A 43 3.098 -7.038 -3.668 1.00 0.00 N ATOM 525 CA LEU A 43 3.552 -6.912 -2.288 1.00 0.00 C ATOM 526 C LEU A 43 2.590 -7.610 -1.332 1.00 0.00 C ATOM 527 O LEU A 43 2.620 -7.375 -0.124 1.00 0.00 O ATOM 528 CB LEU A 43 3.686 -5.436 -1.907 1.00 0.00 C ATOM 529 CG LEU A 43 4.666 -4.613 -2.744 1.00 0.00 C ATOM 530 CD1 LEU A 43 4.558 -3.137 -2.393 1.00 0.00 C ATOM 531 CD2 LEU A 43 6.090 -5.110 -2.540 1.00 0.00 C ATOM 0 H LEU A 43 2.407 -6.343 -3.950 1.00 0.00 H new ATOM 0 HA LEU A 43 4.527 -7.392 -2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.702 -4.973 -1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.993 -5.377 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 43 4.408 -4.735 -3.796 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.263 -2.567 -2.998 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.544 -2.789 -2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.790 -2.996 -1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.774 -4.513 -3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.360 -5.019 -1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.157 -6.155 -2.842 1.00 0.00 H new ATOM 543 N ARG A 44 1.739 -8.470 -1.881 1.00 0.00 N ATOM 544 CA ARG A 44 0.768 -9.203 -1.078 1.00 0.00 C ATOM 545 C ARG A 44 1.470 -10.112 -0.073 1.00 0.00 C ATOM 546 O ARG A 44 2.344 -10.898 -0.436 1.00 0.00 O ATOM 547 CB ARG A 44 -0.148 -10.034 -1.978 1.00 0.00 C ATOM 548 CG ARG A 44 -1.538 -10.248 -1.401 1.00 0.00 C ATOM 549 CD ARG A 44 -1.598 -11.503 -0.545 1.00 0.00 C ATOM 550 NE ARG A 44 -1.105 -12.677 -1.259 1.00 0.00 N ATOM 551 CZ ARG A 44 -1.857 -13.414 -2.069 1.00 0.00 C ATOM 552 NH1 ARG A 44 -3.130 -13.098 -2.268 1.00 0.00 N ATOM 553 NH2 ARG A 44 -1.337 -14.468 -2.684 1.00 0.00 N ATOM 0 H ARG A 44 1.702 -8.676 -2.879 1.00 0.00 H new ATOM 0 HA ARG A 44 0.167 -8.478 -0.530 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.238 -9.540 -2.946 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.315 -11.004 -2.157 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.821 -9.383 -0.801 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.262 -10.324 -2.212 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.007 -11.354 0.359 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.626 -11.677 -0.228 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.130 -12.946 -1.129 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.534 -12.287 -1.799 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.705 -13.666 -2.890 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.358 -14.714 -2.535 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.916 -15.033 -3.306 1.00 0.00 H new ATOM 567 N GLY A 45 1.081 -9.998 1.193 1.00 0.00 N ATOM 568 CA GLY A 45 1.684 -10.814 2.231 1.00 0.00 C ATOM 569 C GLY A 45 3.195 -10.864 2.125 1.00 0.00 C ATOM 570 O GLY A 45 3.771 -11.925 1.884 1.00 0.00 O ATOM 0 H GLY A 45 0.359 -9.355 1.519 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.404 -10.419 3.208 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.285 -11.827 2.171 1.00 0.00 H new ATOM 574 N GLN A 46 3.838 -9.715 2.303 1.00 0.00 N ATOM 575 CA GLN A 46 5.292 -9.633 2.223 1.00 0.00 C ATOM 576 C GLN A 46 5.793 -8.300 2.769 1.00 0.00 C ATOM 577 O GLN A 46 5.013 -7.371 2.979 1.00 0.00 O ATOM 578 CB GLN A 46 5.755 -9.811 0.776 1.00 0.00 C ATOM 579 CG GLN A 46 5.560 -8.571 -0.082 1.00 0.00 C ATOM 580 CD GLN A 46 6.313 -8.646 -1.396 1.00 0.00 C ATOM 581 OE1 GLN A 46 7.243 -7.876 -1.636 1.00 0.00 O ATOM 582 NE2 GLN A 46 5.914 -9.576 -2.255 1.00 0.00 N ATOM 0 H GLN A 46 3.376 -8.828 2.503 1.00 0.00 H new ATOM 0 HA GLN A 46 5.710 -10.434 2.832 1.00 0.00 H new ATOM 0 HB2 GLN A 46 6.810 -10.083 0.772 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.210 -10.642 0.328 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.497 -8.437 -0.284 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.892 -7.694 0.473 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.138 -10.193 -2.015 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.383 -9.673 -3.155 1.00 0.00 H new ATOM 591 N HIS A 47 7.099 -8.214 2.999 1.00 0.00 N ATOM 592 CA HIS A 47 7.705 -6.994 3.521 1.00 0.00 C ATOM 593 C HIS A 47 7.940 -5.983 2.403 1.00 0.00 C ATOM 594 O HIS A 47 8.092 -6.353 1.239 1.00 0.00 O ATOM 595 CB HIS A 47 9.026 -7.315 4.221 1.00 0.00 C ATOM 596 CG HIS A 47 8.927 -8.446 5.198 1.00 0.00 C ATOM 597 ND1 HIS A 47 8.951 -8.265 6.564 1.00 0.00 N ATOM 598 CD2 HIS A 47 8.802 -9.779 4.999 1.00 0.00 C ATOM 599 CE1 HIS A 47 8.846 -9.437 7.164 1.00 0.00 C ATOM 600 NE2 HIS A 47 8.754 -10.373 6.236 1.00 0.00 N ATOM 0 H HIS A 47 7.758 -8.974 2.832 1.00 0.00 H new ATOM 0 HA HIS A 47 7.017 -6.556 4.244 1.00 0.00 H new ATOM 0 HB2 HIS A 47 9.776 -7.560 3.469 1.00 0.00 H new ATOM 0 HB3 HIS A 47 9.377 -6.425 4.743 1.00 0.00 H new ATOM 0 HD2 HIS A 47 8.750 -10.282 4.045 1.00 0.00 H new ATOM 0 HE1 HIS A 47 8.837 -9.602 8.231 1.00 0.00 H new ATOM 0 HE2 HIS A 47 8.662 -11.374 6.410 1.00 0.00 H new ATOM 609 N PHE A 48 7.968 -4.704 2.765 1.00 0.00 N ATOM 610 CA PHE A 48 8.183 -3.639 1.793 1.00 0.00 C ATOM 611 C PHE A 48 8.725 -2.385 2.471 1.00 0.00 C ATOM 612 O PHE A 48 8.795 -2.310 3.698 1.00 0.00 O ATOM 613 CB PHE A 48 6.878 -3.314 1.064 1.00 0.00 C ATOM 614 CG PHE A 48 5.677 -3.289 1.966 1.00 0.00 C ATOM 615 CD1 PHE A 48 5.090 -4.470 2.392 1.00 0.00 C ATOM 616 CD2 PHE A 48 5.135 -2.086 2.387 1.00 0.00 C ATOM 617 CE1 PHE A 48 3.985 -4.450 3.223 1.00 0.00 C ATOM 618 CE2 PHE A 48 4.031 -2.060 3.218 1.00 0.00 C ATOM 619 CZ PHE A 48 3.455 -3.244 3.635 1.00 0.00 C ATOM 0 H PHE A 48 7.844 -4.381 3.724 1.00 0.00 H new ATOM 0 HA PHE A 48 8.920 -3.986 1.068 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.976 -2.344 0.576 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.717 -4.052 0.278 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.500 -5.416 2.071 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.580 -1.157 2.062 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.537 -5.377 3.549 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.619 -1.115 3.541 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.591 -3.226 4.283 1.00 0.00 H new ATOM 629 N TYR A 49 9.108 -1.402 1.664 1.00 0.00 N ATOM 630 CA TYR A 49 9.648 -0.151 2.185 1.00 0.00 C ATOM 631 C TYR A 49 8.691 1.007 1.920 1.00 0.00 C ATOM 632 O TYR A 49 7.765 0.891 1.118 1.00 0.00 O ATOM 633 CB TYR A 49 11.010 0.143 1.555 1.00 0.00 C ATOM 634 CG TYR A 49 12.138 -0.673 2.143 1.00 0.00 C ATOM 635 CD1 TYR A 49 12.305 -2.010 1.803 1.00 0.00 C ATOM 636 CD2 TYR A 49 13.037 -0.108 3.039 1.00 0.00 C ATOM 637 CE1 TYR A 49 13.334 -2.761 2.338 1.00 0.00 C ATOM 638 CE2 TYR A 49 14.070 -0.851 3.578 1.00 0.00 C ATOM 639 CZ TYR A 49 14.214 -2.176 3.225 1.00 0.00 C ATOM 640 OH TYR A 49 15.241 -2.919 3.761 1.00 0.00 O ATOM 0 H TYR A 49 9.055 -1.447 0.646 1.00 0.00 H new ATOM 0 HA TYR A 49 9.770 -0.258 3.263 1.00 0.00 H new ATOM 0 HB2 TYR A 49 10.954 -0.049 0.483 1.00 0.00 H new ATOM 0 HB3 TYR A 49 11.237 1.202 1.678 1.00 0.00 H new ATOM 0 HD1 TYR A 49 11.618 -2.470 1.108 1.00 0.00 H new ATOM 0 HD2 TYR A 49 12.927 0.929 3.319 1.00 0.00 H new ATOM 0 HE1 TYR A 49 13.449 -3.799 2.064 1.00 0.00 H new ATOM 0 HE2 TYR A 49 14.761 -0.396 4.272 1.00 0.00 H new ATOM 0 HH TYR A 49 15.770 -2.358 4.366 1.00 0.00 H new ATOM 650 N ALA A 50 8.923 2.125 2.599 1.00 0.00 N ATOM 651 CA ALA A 50 8.085 3.307 2.436 1.00 0.00 C ATOM 652 C ALA A 50 8.932 4.569 2.316 1.00 0.00 C ATOM 653 O ALA A 50 9.605 4.970 3.266 1.00 0.00 O ATOM 654 CB ALA A 50 7.113 3.430 3.601 1.00 0.00 C ATOM 0 H ALA A 50 9.685 2.237 3.268 1.00 0.00 H new ATOM 0 HA ALA A 50 7.516 3.194 1.513 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.494 4.317 3.466 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.477 2.546 3.639 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.671 3.516 4.533 1.00 0.00 H new ATOM 660 N VAL A 51 8.895 5.191 1.142 1.00 0.00 N ATOM 661 CA VAL A 51 9.660 6.408 0.898 1.00 0.00 C ATOM 662 C VAL A 51 8.844 7.418 0.098 1.00 0.00 C ATOM 663 O VAL A 51 8.451 7.152 -1.038 1.00 0.00 O ATOM 664 CB VAL A 51 10.968 6.108 0.142 1.00 0.00 C ATOM 665 CG1 VAL A 51 11.715 7.396 -0.166 1.00 0.00 C ATOM 666 CG2 VAL A 51 11.840 5.155 0.946 1.00 0.00 C ATOM 0 H VAL A 51 8.344 4.872 0.345 1.00 0.00 H new ATOM 0 HA VAL A 51 9.902 6.830 1.873 1.00 0.00 H new ATOM 0 HB VAL A 51 10.719 5.627 -0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.636 7.163 -0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.090 8.040 -0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.955 7.909 0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.760 4.953 0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.082 5.607 1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.303 4.221 1.109 1.00 0.00 H new ATOM 676 N GLU A 52 8.594 8.577 0.698 1.00 0.00 N ATOM 677 CA GLU A 52 7.825 9.627 0.041 1.00 0.00 C ATOM 678 C GLU A 52 6.386 9.178 -0.199 1.00 0.00 C ATOM 679 O GLU A 52 5.796 9.478 -1.237 1.00 0.00 O ATOM 680 CB GLU A 52 8.478 10.013 -1.288 1.00 0.00 C ATOM 681 CG GLU A 52 9.904 10.519 -1.140 1.00 0.00 C ATOM 682 CD GLU A 52 10.386 11.269 -2.367 1.00 0.00 C ATOM 683 OE1 GLU A 52 10.611 10.619 -3.409 1.00 0.00 O ATOM 684 OE2 GLU A 52 10.539 12.505 -2.284 1.00 0.00 O ATOM 0 H GLU A 52 8.913 8.813 1.638 1.00 0.00 H new ATOM 0 HA GLU A 52 7.812 10.497 0.698 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.475 9.147 -1.950 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.876 10.784 -1.769 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.965 11.174 -0.271 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.567 9.675 -0.950 1.00 0.00 H new ATOM 691 N ARG A 53 5.829 8.457 0.768 1.00 0.00 N ATOM 692 CA ARG A 53 4.460 7.964 0.662 1.00 0.00 C ATOM 693 C ARG A 53 4.324 6.982 -0.498 1.00 0.00 C ATOM 694 O ARG A 53 3.319 6.980 -1.208 1.00 0.00 O ATOM 695 CB ARG A 53 3.489 9.131 0.472 1.00 0.00 C ATOM 696 CG ARG A 53 3.511 10.133 1.615 1.00 0.00 C ATOM 697 CD ARG A 53 2.664 9.660 2.786 1.00 0.00 C ATOM 698 NE ARG A 53 3.254 8.506 3.458 1.00 0.00 N ATOM 699 CZ ARG A 53 4.190 8.602 4.396 1.00 0.00 C ATOM 700 NH1 ARG A 53 4.639 9.792 4.771 1.00 0.00 N ATOM 701 NH2 ARG A 53 4.678 7.505 4.962 1.00 0.00 N ATOM 0 H ARG A 53 6.304 8.201 1.634 1.00 0.00 H new ATOM 0 HA ARG A 53 4.215 7.443 1.588 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.731 9.647 -0.457 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.478 8.738 0.364 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.538 10.287 1.946 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.142 11.096 1.263 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.547 10.475 3.501 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.666 9.402 2.431 1.00 0.00 H new ATOM 0 HE ARG A 53 2.930 7.576 3.193 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.266 10.637 4.339 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.358 9.862 5.491 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.334 6.588 4.677 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.397 7.579 5.682 1.00 0.00 H new ATOM 715 N ARG A 54 5.343 6.149 -0.684 1.00 0.00 N ATOM 716 CA ARG A 54 5.339 5.163 -1.758 1.00 0.00 C ATOM 717 C ARG A 54 5.717 3.782 -1.230 1.00 0.00 C ATOM 718 O ARG A 54 6.015 3.619 -0.047 1.00 0.00 O ATOM 719 CB ARG A 54 6.307 5.581 -2.866 1.00 0.00 C ATOM 720 CG ARG A 54 5.728 6.609 -3.824 1.00 0.00 C ATOM 721 CD ARG A 54 6.344 6.489 -5.210 1.00 0.00 C ATOM 722 NE ARG A 54 5.510 7.108 -6.235 1.00 0.00 N ATOM 723 CZ ARG A 54 5.548 8.403 -6.531 1.00 0.00 C ATOM 724 NH1 ARG A 54 6.376 9.210 -5.883 1.00 0.00 N ATOM 725 NH2 ARG A 54 4.758 8.892 -7.478 1.00 0.00 N ATOM 0 H ARG A 54 6.182 6.137 -0.104 1.00 0.00 H new ATOM 0 HA ARG A 54 4.330 5.112 -2.167 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.211 5.988 -2.413 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.603 4.697 -3.431 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.648 6.477 -3.892 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.902 7.611 -3.433 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.328 6.958 -5.211 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.493 5.436 -5.451 1.00 0.00 H new ATOM 0 HE ARG A 54 4.862 6.514 -6.753 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.986 8.837 -5.155 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.403 10.204 -6.112 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.120 8.274 -7.980 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.788 9.886 -7.704 1.00 0.00 H new ATOM 739 N ALA A 55 5.704 2.792 -2.116 1.00 0.00 N ATOM 740 CA ALA A 55 6.047 1.426 -1.741 1.00 0.00 C ATOM 741 C ALA A 55 7.226 0.911 -2.559 1.00 0.00 C ATOM 742 O ALA A 55 7.254 1.053 -3.782 1.00 0.00 O ATOM 743 CB ALA A 55 4.843 0.512 -1.914 1.00 0.00 C ATOM 0 H ALA A 55 5.459 2.911 -3.099 1.00 0.00 H new ATOM 0 HA ALA A 55 6.340 1.427 -0.691 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.114 -0.505 -1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.028 0.860 -1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.523 0.525 -2.956 1.00 0.00 H new ATOM 749 N TYR A 56 8.198 0.315 -1.878 1.00 0.00 N ATOM 750 CA TYR A 56 9.382 -0.218 -2.542 1.00 0.00 C ATOM 751 C TYR A 56 9.778 -1.567 -1.950 1.00 0.00 C ATOM 752 O TYR A 56 10.079 -1.672 -0.760 1.00 0.00 O ATOM 753 CB TYR A 56 10.546 0.767 -2.421 1.00 0.00 C ATOM 754 CG TYR A 56 10.291 2.093 -3.101 1.00 0.00 C ATOM 755 CD1 TYR A 56 10.458 2.237 -4.473 1.00 0.00 C ATOM 756 CD2 TYR A 56 9.882 3.202 -2.371 1.00 0.00 C ATOM 757 CE1 TYR A 56 10.227 3.447 -5.097 1.00 0.00 C ATOM 758 CE2 TYR A 56 9.647 4.416 -2.987 1.00 0.00 C ATOM 759 CZ TYR A 56 9.821 4.533 -4.351 1.00 0.00 C ATOM 760 OH TYR A 56 9.588 5.740 -4.969 1.00 0.00 O ATOM 0 H TYR A 56 8.190 0.189 -0.866 1.00 0.00 H new ATOM 0 HA TYR A 56 9.144 -0.361 -3.596 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.753 0.944 -1.366 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.440 0.314 -2.850 1.00 0.00 H new ATOM 0 HD1 TYR A 56 10.774 1.388 -5.061 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.745 3.114 -1.303 1.00 0.00 H new ATOM 0 HE1 TYR A 56 10.364 3.542 -6.164 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.329 5.268 -2.405 1.00 0.00 H new ATOM 0 HH TYR A 56 9.308 6.401 -4.302 1.00 0.00 H new ATOM 770 N CYS A 57 9.775 -2.597 -2.789 1.00 0.00 N ATOM 771 CA CYS A 57 10.134 -3.941 -2.351 1.00 0.00 C ATOM 772 C CYS A 57 11.626 -4.033 -2.043 1.00 0.00 C ATOM 773 O CYS A 57 12.441 -3.352 -2.665 1.00 0.00 O ATOM 774 CB CYS A 57 9.759 -4.966 -3.423 1.00 0.00 C ATOM 775 SG CYS A 57 10.463 -4.614 -5.067 1.00 0.00 S ATOM 0 H CYS A 57 9.528 -2.527 -3.776 1.00 0.00 H new ATOM 0 HA CYS A 57 9.579 -4.159 -1.439 1.00 0.00 H new ATOM 0 HB2 CYS A 57 10.093 -5.952 -3.100 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.673 -5.008 -3.506 1.00 0.00 H new ATOM 780 N GLU A 58 11.975 -4.879 -1.079 1.00 0.00 N ATOM 781 CA GLU A 58 13.368 -5.059 -0.689 1.00 0.00 C ATOM 782 C GLU A 58 14.293 -4.927 -1.896 1.00 0.00 C ATOM 783 O GLU A 58 15.247 -4.151 -1.878 1.00 0.00 O ATOM 784 CB GLU A 58 13.564 -6.426 -0.030 1.00 0.00 C ATOM 785 CG GLU A 58 15.020 -6.775 0.226 1.00 0.00 C ATOM 786 CD GLU A 58 15.658 -7.507 -0.939 1.00 0.00 C ATOM 787 OE1 GLU A 58 15.532 -8.748 -1.000 1.00 0.00 O ATOM 788 OE2 GLU A 58 16.282 -6.840 -1.790 1.00 0.00 O ATOM 0 H GLU A 58 11.313 -5.450 -0.554 1.00 0.00 H new ATOM 0 HA GLU A 58 13.621 -4.278 0.028 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.023 -6.445 0.916 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.122 -7.193 -0.666 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.579 -5.861 0.426 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.090 -7.393 1.121 1.00 0.00 H new ATOM 795 N GLY A 59 14.001 -5.692 -2.944 1.00 0.00 N ATOM 796 CA GLY A 59 14.815 -5.646 -4.144 1.00 0.00 C ATOM 797 C GLY A 59 15.039 -4.231 -4.640 1.00 0.00 C ATOM 798 O GLY A 59 16.170 -3.743 -4.658 1.00 0.00 O ATOM 0 H GLY A 59 13.216 -6.342 -2.983 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.779 -6.114 -3.943 1.00 0.00 H new ATOM 0 HA3 GLY A 59 14.334 -6.230 -4.928 1.00 0.00 H new ATOM 802 N CYS A 60 13.960 -3.571 -5.046 1.00 0.00 N ATOM 803 CA CYS A 60 14.043 -2.204 -5.546 1.00 0.00 C ATOM 804 C CYS A 60 14.764 -1.302 -4.549 1.00 0.00 C ATOM 805 O CYS A 60 15.724 -0.615 -4.898 1.00 0.00 O ATOM 806 CB CYS A 60 12.643 -1.655 -5.827 1.00 0.00 C ATOM 807 SG CYS A 60 12.032 -1.999 -7.508 1.00 0.00 S ATOM 0 H CYS A 60 13.017 -3.961 -5.039 1.00 0.00 H new ATOM 0 HA CYS A 60 14.614 -2.218 -6.475 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.946 -2.080 -5.105 1.00 0.00 H new ATOM 0 HB3 CYS A 60 12.649 -0.577 -5.668 1.00 0.00 H new ATOM 812 N TYR A 61 14.295 -1.310 -3.306 1.00 0.00 N ATOM 813 CA TYR A 61 14.893 -0.491 -2.258 1.00 0.00 C ATOM 814 C TYR A 61 16.414 -0.611 -2.274 1.00 0.00 C ATOM 815 O TYR A 61 17.128 0.388 -2.186 1.00 0.00 O ATOM 816 CB TYR A 61 14.352 -0.905 -0.888 1.00 0.00 C ATOM 817 CG TYR A 61 14.898 -0.077 0.253 1.00 0.00 C ATOM 818 CD1 TYR A 61 14.265 1.094 0.652 1.00 0.00 C ATOM 819 CD2 TYR A 61 16.047 -0.464 0.932 1.00 0.00 C ATOM 820 CE1 TYR A 61 14.760 1.854 1.694 1.00 0.00 C ATOM 821 CE2 TYR A 61 16.548 0.289 1.976 1.00 0.00 C ATOM 822 CZ TYR A 61 15.902 1.447 2.353 1.00 0.00 C ATOM 823 OH TYR A 61 16.399 2.201 3.391 1.00 0.00 O ATOM 0 H TYR A 61 13.503 -1.874 -3.000 1.00 0.00 H new ATOM 0 HA TYR A 61 14.627 0.549 -2.448 1.00 0.00 H new ATOM 0 HB2 TYR A 61 13.265 -0.825 -0.896 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.593 -1.954 -0.713 1.00 0.00 H new ATOM 0 HD1 TYR A 61 13.371 1.415 0.139 1.00 0.00 H new ATOM 0 HD2 TYR A 61 16.557 -1.369 0.638 1.00 0.00 H new ATOM 0 HE1 TYR A 61 14.256 2.762 1.991 1.00 0.00 H new ATOM 0 HE2 TYR A 61 17.441 -0.028 2.494 1.00 0.00 H new ATOM 0 HH TYR A 61 17.207 1.775 3.747 1.00 0.00 H new ATOM 833 N VAL A 62 16.903 -1.842 -2.389 1.00 0.00 N ATOM 834 CA VAL A 62 18.338 -2.094 -2.419 1.00 0.00 C ATOM 835 C VAL A 62 18.954 -1.610 -3.727 1.00 0.00 C ATOM 836 O VAL A 62 20.058 -1.066 -3.742 1.00 0.00 O ATOM 837 CB VAL A 62 18.649 -3.592 -2.241 1.00 0.00 C ATOM 838 CG1 VAL A 62 20.137 -3.854 -2.418 1.00 0.00 C ATOM 839 CG2 VAL A 62 18.171 -4.077 -0.880 1.00 0.00 C ATOM 0 H VAL A 62 16.326 -2.680 -2.463 1.00 0.00 H new ATOM 0 HA VAL A 62 18.774 -1.539 -1.588 1.00 0.00 H new ATOM 0 HB VAL A 62 18.113 -4.150 -3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 62 20.337 -4.918 -2.289 1.00 0.00 H new ATOM 0 HG12 VAL A 62 20.444 -3.546 -3.417 1.00 0.00 H new ATOM 0 HG13 VAL A 62 20.697 -3.286 -1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 62 18.399 -5.137 -0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 62 18.677 -3.515 -0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 62 17.095 -3.927 -0.798 1.00 0.00 H new ATOM 849 N ALA A 63 18.232 -1.812 -4.824 1.00 0.00 N ATOM 850 CA ALA A 63 18.706 -1.394 -6.138 1.00 0.00 C ATOM 851 C ALA A 63 18.945 0.111 -6.182 1.00 0.00 C ATOM 852 O ALA A 63 19.915 0.580 -6.779 1.00 0.00 O ATOM 853 CB ALA A 63 17.711 -1.805 -7.213 1.00 0.00 C ATOM 0 H ALA A 63 17.317 -2.262 -4.829 1.00 0.00 H new ATOM 0 HA ALA A 63 19.657 -1.892 -6.330 1.00 0.00 H new ATOM 0 HB1 ALA A 63 18.078 -1.487 -8.189 1.00 0.00 H new ATOM 0 HB2 ALA A 63 17.594 -2.889 -7.205 1.00 0.00 H new ATOM 0 HB3 ALA A 63 16.748 -1.335 -7.016 1.00 0.00 H new ATOM 859 N THR A 64 18.053 0.866 -5.547 1.00 0.00 N ATOM 860 CA THR A 64 18.166 2.319 -5.516 1.00 0.00 C ATOM 861 C THR A 64 19.479 2.755 -4.878 1.00 0.00 C ATOM 862 O THR A 64 20.068 3.763 -5.271 1.00 0.00 O ATOM 863 CB THR A 64 16.996 2.956 -4.743 1.00 0.00 C ATOM 864 OG1 THR A 64 17.014 2.519 -3.379 1.00 0.00 O ATOM 865 CG2 THR A 64 15.663 2.592 -5.379 1.00 0.00 C ATOM 0 H THR A 64 17.245 0.495 -5.048 1.00 0.00 H new ATOM 0 HA THR A 64 18.138 2.661 -6.551 1.00 0.00 H new ATOM 0 HB THR A 64 17.114 4.039 -4.779 1.00 0.00 H new ATOM 0 HG1 THR A 64 17.052 1.540 -3.350 1.00 0.00 H new ATOM 0 HG21 THR A 64 14.853 3.054 -4.815 1.00 0.00 H new ATOM 0 HG22 THR A 64 15.640 2.952 -6.408 1.00 0.00 H new ATOM 0 HG23 THR A 64 15.540 1.509 -5.371 1.00 0.00 H new ATOM 873 N LEU A 65 19.936 1.989 -3.893 1.00 0.00 N ATOM 874 CA LEU A 65 21.183 2.297 -3.200 1.00 0.00 C ATOM 875 C LEU A 65 22.388 1.937 -4.063 1.00 0.00 C ATOM 876 O LEU A 65 23.463 2.517 -3.917 1.00 0.00 O ATOM 877 CB LEU A 65 21.250 1.543 -1.871 1.00 0.00 C ATOM 878 CG LEU A 65 20.024 1.668 -0.966 1.00 0.00 C ATOM 879 CD1 LEU A 65 20.050 0.603 0.120 1.00 0.00 C ATOM 880 CD2 LEU A 65 19.955 3.058 -0.350 1.00 0.00 C ATOM 0 H LEU A 65 19.462 1.151 -3.556 1.00 0.00 H new ATOM 0 HA LEU A 65 21.206 3.369 -3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 65 21.414 0.487 -2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 65 22.121 1.896 -1.319 1.00 0.00 H new ATOM 0 HG LEU A 65 19.132 1.516 -1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 65 19.170 0.708 0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 65 20.050 -0.385 -0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 65 20.949 0.722 0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 65 19.076 3.129 0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 65 20.852 3.238 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 65 19.887 3.804 -1.142 1.00 0.00 H new ATOM 892 N GLU A 66 22.199 0.977 -4.964 1.00 0.00 N ATOM 893 CA GLU A 66 23.272 0.542 -5.851 1.00 0.00 C ATOM 894 C GLU A 66 23.435 1.508 -7.022 1.00 0.00 C ATOM 895 O GLU A 66 24.171 1.232 -7.969 1.00 0.00 O ATOM 896 CB GLU A 66 22.990 -0.868 -6.374 1.00 0.00 C ATOM 897 CG GLU A 66 23.149 -1.951 -5.321 1.00 0.00 C ATOM 898 CD GLU A 66 23.373 -3.324 -5.924 1.00 0.00 C ATOM 899 OE1 GLU A 66 22.494 -3.792 -6.677 1.00 0.00 O ATOM 900 OE2 GLU A 66 24.429 -3.930 -5.644 1.00 0.00 O ATOM 0 H GLU A 66 21.315 0.487 -5.099 1.00 0.00 H new ATOM 0 HA GLU A 66 24.200 0.531 -5.280 1.00 0.00 H new ATOM 0 HB2 GLU A 66 21.975 -0.903 -6.769 1.00 0.00 H new ATOM 0 HB3 GLU A 66 23.663 -1.079 -7.205 1.00 0.00 H new ATOM 0 HG2 GLU A 66 23.989 -1.702 -4.673 1.00 0.00 H new ATOM 0 HG3 GLU A 66 22.258 -1.975 -4.693 1.00 0.00 H new ATOM 907 N SER A 67 22.742 2.640 -6.949 1.00 0.00 N ATOM 908 CA SER A 67 22.806 3.645 -8.003 1.00 0.00 C ATOM 909 C SER A 67 23.739 4.786 -7.610 1.00 0.00 C ATOM 910 O SER A 67 23.943 5.057 -6.428 1.00 0.00 O ATOM 911 CB SER A 67 21.409 4.192 -8.301 1.00 0.00 C ATOM 912 OG SER A 67 21.436 5.095 -9.392 1.00 0.00 O ATOM 0 H SER A 67 22.130 2.884 -6.171 1.00 0.00 H new ATOM 0 HA SER A 67 23.201 3.169 -8.901 1.00 0.00 H new ATOM 0 HB2 SER A 67 20.732 3.367 -8.525 1.00 0.00 H new ATOM 0 HB3 SER A 67 21.017 4.696 -7.418 1.00 0.00 H new ATOM 0 HG SER A 67 20.531 5.429 -9.563 1.00 0.00 H new ATOM 918 N GLY A 68 24.303 5.453 -8.613 1.00 0.00 N ATOM 919 CA GLY A 68 25.207 6.558 -8.353 1.00 0.00 C ATOM 920 C GLY A 68 24.581 7.626 -7.479 1.00 0.00 C ATOM 921 O GLY A 68 23.367 7.662 -7.278 1.00 0.00 O ATOM 0 H GLY A 68 24.150 5.248 -9.600 1.00 0.00 H new ATOM 0 HA2 GLY A 68 26.108 6.180 -7.870 1.00 0.00 H new ATOM 0 HA3 GLY A 68 25.515 7.002 -9.300 1.00 0.00 H new ATOM 925 N PRO A 69 25.422 8.522 -6.939 1.00 0.00 N ATOM 926 CA PRO A 69 24.966 9.612 -6.072 1.00 0.00 C ATOM 927 C PRO A 69 24.174 10.668 -6.835 1.00 0.00 C ATOM 928 O PRO A 69 23.888 11.744 -6.309 1.00 0.00 O ATOM 929 CB PRO A 69 26.270 10.206 -5.534 1.00 0.00 C ATOM 930 CG PRO A 69 27.293 9.868 -6.563 1.00 0.00 C ATOM 931 CD PRO A 69 26.881 8.540 -7.135 1.00 0.00 C ATOM 0 HA PRO A 69 24.290 9.258 -5.294 1.00 0.00 H new ATOM 0 HB2 PRO A 69 26.187 11.284 -5.397 1.00 0.00 H new ATOM 0 HB3 PRO A 69 26.528 9.781 -4.564 1.00 0.00 H new ATOM 0 HG2 PRO A 69 27.333 10.632 -7.339 1.00 0.00 H new ATOM 0 HG3 PRO A 69 28.288 9.811 -6.121 1.00 0.00 H new ATOM 0 HD2 PRO A 69 27.146 8.457 -8.189 1.00 0.00 H new ATOM 0 HD3 PRO A 69 27.366 7.712 -6.618 1.00 0.00 H new ATOM 939 N SER A 70 23.823 10.354 -8.078 1.00 0.00 N ATOM 940 CA SER A 70 23.067 11.278 -8.915 1.00 0.00 C ATOM 941 C SER A 70 21.813 11.764 -8.194 1.00 0.00 C ATOM 942 O SER A 70 21.260 11.062 -7.348 1.00 0.00 O ATOM 943 CB SER A 70 22.682 10.606 -10.235 1.00 0.00 C ATOM 944 OG SER A 70 23.818 10.408 -11.057 1.00 0.00 O ATOM 0 H SER A 70 24.050 9.467 -8.527 1.00 0.00 H new ATOM 0 HA SER A 70 23.701 12.140 -9.125 1.00 0.00 H new ATOM 0 HB2 SER A 70 22.204 9.647 -10.033 1.00 0.00 H new ATOM 0 HB3 SER A 70 21.952 11.222 -10.761 1.00 0.00 H new ATOM 0 HG SER A 70 23.545 9.976 -11.893 1.00 0.00 H new ATOM 950 N SER A 71 21.371 12.970 -8.535 1.00 0.00 N ATOM 951 CA SER A 71 20.185 13.552 -7.918 1.00 0.00 C ATOM 952 C SER A 71 19.093 12.502 -7.743 1.00 0.00 C ATOM 953 O SER A 71 18.752 12.125 -6.623 1.00 0.00 O ATOM 954 CB SER A 71 19.662 14.714 -8.765 1.00 0.00 C ATOM 955 OG SER A 71 18.926 15.631 -7.974 1.00 0.00 O ATOM 0 H SER A 71 21.816 13.563 -9.235 1.00 0.00 H new ATOM 0 HA SER A 71 20.464 13.927 -6.933 1.00 0.00 H new ATOM 0 HB2 SER A 71 20.498 15.228 -9.239 1.00 0.00 H new ATOM 0 HB3 SER A 71 19.029 14.329 -9.565 1.00 0.00 H new ATOM 0 HG SER A 71 18.604 16.365 -8.538 1.00 0.00 H new ATOM 961 N GLY A 72 18.546 12.034 -8.861 1.00 0.00 N ATOM 962 CA GLY A 72 17.498 11.032 -8.811 1.00 0.00 C ATOM 963 C GLY A 72 17.679 9.950 -9.857 1.00 0.00 C ATOM 964 O GLY A 72 18.375 8.971 -9.592 1.00 0.00 O ATOM 0 H GLY A 72 18.810 12.331 -9.800 1.00 0.00 H new ATOM 0 HA2 GLY A 72 17.482 10.577 -7.821 1.00 0.00 H new ATOM 0 HA3 GLY A 72 16.531 11.514 -8.955 1.00 0.00 H new TER 968 GLY A 72 HETATM 969 ZN ZN A 201 -8.092 -1.827 -6.227 1.00 0.00 ZN HETATM 970 ZN ZN A 401 10.081 -3.020 -6.720 1.00 0.00 ZN