USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 619 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 THR OG1 : rot 74:sc= 0.171 USER MOD Set 1.2: A 41 GLN : amide:sc= 0.381 K(o=0.55,f=-0.32) USER MOD Single : A 1 GLY N :NH3+ -170:sc= 1.1 (180deg=0.672) USER MOD Single : A 6 LYS NZ :NH3+ 172:sc= 1.29 (180deg=0.924) USER MOD Single : A 7 MET CE :methyl -105:sc= -0.0376 (180deg=-1.44) USER MOD Single : A 8 LYS NZ :NH3+ -168:sc= -0.177 (180deg=-0.417) USER MOD Single : A 12 MET CE :methyl 180:sc= -1.26 (180deg=-1.26) USER MOD Single : A 15 HIS : no HD1:sc= -0.365 X(o=-0.36,f=-0.36) USER MOD Single : A 16 SER OG : rot 180:sc= 0.00794 USER MOD Single : A 18 THR OG1 : rot -106:sc= 0.995 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 78:sc= 0.367 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.195 K(o=-0.19,f=-1.9!) USER MOD Single : A 32 GLN : amide:sc= 1.19 K(o=1.2,f=-2!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc=-0.00826 X(o=-0.0083,f=-0.23) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0245 USER MOD Single : A 48 GLN : amide:sc= 1.21 K(o=1.2,f=-0.48) USER MOD Single : A 50 HIS : no HD1:sc= -0.0637 X(o=-0.064,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0.0109 USER MOD Single : A 57 MET CE :methyl -150:sc= -1.15 (180deg=-5.93!) USER MOD Single : A 58 LYS NZ :NH3+ -123:sc= 1.05 (180deg=0.266) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 1.19 K(o=1.2,f=-0.63) USER MOD Single : A 64 MET CE :methyl 171:sc= -0.0732 (180deg=-0.232) USER MOD Single : A 71 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0148) USER MOD Single : A 72 LYS NZ :NH3+ 176:sc= 1.16 (180deg=1.05) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.430 3.525 15.885 1.00 0.00 N ATOM 2 CA GLY A 1 2.894 2.186 16.183 1.00 0.00 C ATOM 3 C GLY A 1 1.827 1.835 15.156 1.00 0.00 C ATOM 4 O GLY A 1 0.655 2.140 15.358 1.00 0.00 O ATOM 0 H1 GLY A 1 4.270 3.701 16.473 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.693 3.578 14.880 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.706 4.243 16.092 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.695 1.447 16.160 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.470 2.166 17.187 1.00 0.00 H new ATOM 10 N GLU A 2 2.265 1.261 14.035 1.00 0.00 N ATOM 11 CA GLU A 2 1.482 1.072 12.829 1.00 0.00 C ATOM 12 C GLU A 2 1.682 -0.356 12.329 1.00 0.00 C ATOM 13 O GLU A 2 2.455 -1.119 12.906 1.00 0.00 O ATOM 14 CB GLU A 2 1.939 2.096 11.775 1.00 0.00 C ATOM 15 CG GLU A 2 1.355 3.498 12.031 1.00 0.00 C ATOM 16 CD GLU A 2 2.025 4.245 13.171 1.00 0.00 C ATOM 17 OE1 GLU A 2 3.251 4.054 13.349 1.00 0.00 O ATOM 18 OE2 GLU A 2 1.310 4.939 13.923 1.00 0.00 O ATOM 0 H GLU A 2 3.216 0.903 13.946 1.00 0.00 H new ATOM 0 HA GLU A 2 0.421 1.225 13.027 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.028 2.153 11.775 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.637 1.754 10.785 1.00 0.00 H new ATOM 0 HG2 GLU A 2 1.444 4.090 11.120 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.291 3.404 12.247 1.00 0.00 H new ATOM 25 N VAL A 3 0.960 -0.703 11.267 1.00 0.00 N ATOM 26 CA VAL A 3 0.858 -2.036 10.713 1.00 0.00 C ATOM 27 C VAL A 3 1.199 -1.955 9.229 1.00 0.00 C ATOM 28 O VAL A 3 0.797 -1.019 8.541 1.00 0.00 O ATOM 29 CB VAL A 3 -0.582 -2.512 10.923 1.00 0.00 C ATOM 30 CG1 VAL A 3 -0.897 -3.854 10.267 1.00 0.00 C ATOM 31 CG2 VAL A 3 -0.921 -2.601 12.419 1.00 0.00 C ATOM 0 H VAL A 3 0.405 -0.022 10.748 1.00 0.00 H new ATOM 0 HA VAL A 3 1.541 -2.737 11.192 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.200 -1.759 10.434 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.936 -4.120 10.463 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.738 -3.779 9.191 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.242 -4.623 10.678 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.949 -2.941 12.539 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.246 -3.307 12.904 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.808 -1.618 12.877 1.00 0.00 H new ATOM 41 N VAL A 4 1.933 -2.949 8.737 1.00 0.00 N ATOM 42 CA VAL A 4 2.255 -3.109 7.334 1.00 0.00 C ATOM 43 C VAL A 4 1.161 -3.941 6.682 1.00 0.00 C ATOM 44 O VAL A 4 0.968 -5.106 7.039 1.00 0.00 O ATOM 45 CB VAL A 4 3.618 -3.783 7.182 1.00 0.00 C ATOM 46 CG1 VAL A 4 3.833 -4.286 5.754 1.00 0.00 C ATOM 47 CG2 VAL A 4 4.761 -2.863 7.611 1.00 0.00 C ATOM 0 H VAL A 4 2.328 -3.683 9.325 1.00 0.00 H new ATOM 0 HA VAL A 4 2.310 -2.136 6.845 1.00 0.00 H new ATOM 0 HB VAL A 4 3.622 -4.644 7.850 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.812 -4.760 5.679 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.058 -5.011 5.503 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.783 -3.446 5.061 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.712 -3.382 7.487 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.755 -1.964 6.995 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.632 -2.587 8.658 1.00 0.00 H new ATOM 57 N LEU A 5 0.485 -3.357 5.695 1.00 0.00 N ATOM 58 CA LEU A 5 -0.394 -4.076 4.796 1.00 0.00 C ATOM 59 C LEU A 5 0.443 -4.409 3.569 1.00 0.00 C ATOM 60 O LEU A 5 1.057 -3.511 2.989 1.00 0.00 O ATOM 61 CB LEU A 5 -1.605 -3.197 4.449 1.00 0.00 C ATOM 62 CG LEU A 5 -2.747 -3.330 5.470 1.00 0.00 C ATOM 63 CD1 LEU A 5 -3.597 -4.570 5.166 1.00 0.00 C ATOM 64 CD2 LEU A 5 -2.280 -3.386 6.927 1.00 0.00 C ATOM 0 H LEU A 5 0.538 -2.357 5.500 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.790 -4.990 5.238 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.289 -2.155 4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.974 -3.468 3.460 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.339 -2.421 5.363 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.401 -4.649 5.898 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.024 -4.483 4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.971 -5.461 5.217 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.145 -3.480 7.583 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.624 -4.245 7.066 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.737 -2.473 7.171 1.00 0.00 H new ATOM 76 N LYS A 6 0.499 -5.697 3.214 1.00 0.00 N ATOM 77 CA LYS A 6 1.253 -6.197 2.078 1.00 0.00 C ATOM 78 C LYS A 6 0.231 -6.540 0.994 1.00 0.00 C ATOM 79 O LYS A 6 -0.668 -7.354 1.231 1.00 0.00 O ATOM 80 CB LYS A 6 2.078 -7.426 2.494 1.00 0.00 C ATOM 81 CG LYS A 6 3.530 -7.422 2.009 1.00 0.00 C ATOM 82 CD LYS A 6 4.435 -6.577 2.918 1.00 0.00 C ATOM 83 CE LYS A 6 5.905 -7.018 2.801 1.00 0.00 C ATOM 84 NZ LYS A 6 6.461 -7.403 4.115 1.00 0.00 N ATOM 0 H LYS A 6 0.008 -6.431 3.725 1.00 0.00 H new ATOM 0 HA LYS A 6 1.961 -5.458 1.704 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.074 -7.497 3.582 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.586 -8.321 2.114 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.904 -8.445 1.974 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.572 -7.033 0.992 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.345 -5.525 2.649 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.105 -6.670 3.953 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.980 -7.860 2.112 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.497 -6.206 2.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.404 -7.822 3.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.537 -6.561 4.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.834 -8.098 4.567 1.00 0.00 H new ATOM 98 N MET A 7 0.341 -5.897 -0.169 1.00 0.00 N ATOM 99 CA MET A 7 -0.533 -6.103 -1.303 1.00 0.00 C ATOM 100 C MET A 7 0.297 -6.619 -2.467 1.00 0.00 C ATOM 101 O MET A 7 1.286 -5.987 -2.819 1.00 0.00 O ATOM 102 CB MET A 7 -1.234 -4.798 -1.695 1.00 0.00 C ATOM 103 CG MET A 7 -1.426 -3.808 -0.546 1.00 0.00 C ATOM 104 SD MET A 7 -2.422 -2.370 -1.001 1.00 0.00 S ATOM 105 CE MET A 7 -2.676 -1.675 0.640 1.00 0.00 C ATOM 0 H MET A 7 1.065 -5.200 -0.344 1.00 0.00 H new ATOM 0 HA MET A 7 -1.302 -6.829 -1.039 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.657 -4.313 -2.482 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.210 -5.038 -2.117 1.00 0.00 H new ATOM 0 HG2 MET A 7 -1.901 -4.320 0.291 1.00 0.00 H new ATOM 0 HG3 MET A 7 -0.449 -3.470 -0.200 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.696 -1.877 0.967 1.00 0.00 H new ATOM 0 HE2 MET A 7 -1.974 -2.129 1.340 1.00 0.00 H new ATOM 0 HE3 MET A 7 -2.512 -0.598 0.608 1.00 0.00 H new ATOM 115 N LYS A 8 -0.086 -7.739 -3.079 1.00 0.00 N ATOM 116 CA LYS A 8 0.533 -8.113 -4.344 1.00 0.00 C ATOM 117 C LYS A 8 -0.099 -7.262 -5.428 1.00 0.00 C ATOM 118 O LYS A 8 -1.319 -7.188 -5.454 1.00 0.00 O ATOM 119 CB LYS A 8 0.326 -9.586 -4.665 1.00 0.00 C ATOM 120 CG LYS A 8 1.222 -10.463 -3.803 1.00 0.00 C ATOM 121 CD LYS A 8 0.663 -10.721 -2.399 1.00 0.00 C ATOM 122 CE LYS A 8 1.525 -11.693 -1.576 1.00 0.00 C ATOM 123 NZ LYS A 8 2.093 -12.791 -2.385 1.00 0.00 N ATOM 0 H LYS A 8 -0.798 -8.382 -2.732 1.00 0.00 H new ATOM 0 HA LYS A 8 1.609 -7.948 -4.280 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.718 -9.854 -4.501 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.540 -9.766 -5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.373 -11.418 -4.306 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.201 -9.991 -3.714 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.585 -9.774 -1.866 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.347 -11.123 -2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.337 -11.139 -1.105 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.920 -12.116 -0.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.489 -13.518 -1.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.345 -13.212 -2.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.846 -12.417 -2.998 1.00 0.00 H new ATOM 137 N VAL A 9 0.691 -6.622 -6.284 1.00 0.00 N ATOM 138 CA VAL A 9 0.182 -5.751 -7.324 1.00 0.00 C ATOM 139 C VAL A 9 0.708 -6.260 -8.656 1.00 0.00 C ATOM 140 O VAL A 9 1.871 -6.642 -8.747 1.00 0.00 O ATOM 141 CB VAL A 9 0.632 -4.311 -7.058 1.00 0.00 C ATOM 142 CG1 VAL A 9 0.059 -3.774 -5.743 1.00 0.00 C ATOM 143 CG2 VAL A 9 2.156 -4.175 -7.061 1.00 0.00 C ATOM 0 H VAL A 9 1.708 -6.697 -6.271 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.908 -5.755 -7.341 1.00 0.00 H new ATOM 0 HB VAL A 9 0.238 -3.710 -7.878 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.400 -2.750 -5.589 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.030 -3.791 -5.787 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.399 -4.398 -4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.429 -3.137 -6.868 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.580 -4.812 -6.284 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.546 -4.479 -8.032 1.00 0.00 H new ATOM 153 N GLU A 10 -0.135 -6.269 -9.679 1.00 0.00 N ATOM 154 CA GLU A 10 0.233 -6.741 -11.002 1.00 0.00 C ATOM 155 C GLU A 10 0.430 -5.549 -11.938 1.00 0.00 C ATOM 156 O GLU A 10 -0.247 -4.530 -11.819 1.00 0.00 O ATOM 157 CB GLU A 10 -0.822 -7.719 -11.529 1.00 0.00 C ATOM 158 CG GLU A 10 -1.049 -8.901 -10.580 1.00 0.00 C ATOM 159 CD GLU A 10 -2.401 -8.851 -9.877 1.00 0.00 C ATOM 160 OE1 GLU A 10 -2.620 -7.872 -9.131 1.00 0.00 O ATOM 161 OE2 GLU A 10 -3.189 -9.796 -10.098 1.00 0.00 O ATOM 0 H GLU A 10 -1.100 -5.946 -9.611 1.00 0.00 H new ATOM 0 HA GLU A 10 1.177 -7.283 -10.949 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.763 -7.189 -11.677 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.511 -8.094 -12.504 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.973 -9.831 -11.143 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.257 -8.916 -9.831 1.00 0.00 H new ATOM 168 N GLY A 11 1.366 -5.687 -12.879 1.00 0.00 N ATOM 169 CA GLY A 11 1.549 -4.745 -13.982 1.00 0.00 C ATOM 170 C GLY A 11 2.698 -3.762 -13.755 1.00 0.00 C ATOM 171 O GLY A 11 3.389 -3.397 -14.704 1.00 0.00 O ATOM 0 H GLY A 11 2.025 -6.465 -12.896 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.734 -5.303 -14.900 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.625 -4.185 -14.129 1.00 0.00 H new ATOM 175 N MET A 12 2.898 -3.314 -12.515 1.00 0.00 N ATOM 176 CA MET A 12 3.965 -2.386 -12.165 1.00 0.00 C ATOM 177 C MET A 12 5.332 -3.048 -12.360 1.00 0.00 C ATOM 178 O MET A 12 5.818 -3.756 -11.477 1.00 0.00 O ATOM 179 CB MET A 12 3.770 -1.923 -10.720 1.00 0.00 C ATOM 180 CG MET A 12 2.590 -0.948 -10.603 1.00 0.00 C ATOM 181 SD MET A 12 1.562 -1.135 -9.127 1.00 0.00 S ATOM 182 CE MET A 12 2.794 -0.847 -7.840 1.00 0.00 C ATOM 0 H MET A 12 2.318 -3.589 -11.722 1.00 0.00 H new ATOM 0 HA MET A 12 3.928 -1.516 -12.820 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.596 -2.787 -10.079 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.680 -1.440 -10.364 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.980 0.070 -10.625 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.956 -1.066 -11.482 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.322 -0.926 -6.861 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.587 -1.590 -7.922 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.218 0.150 -7.959 1.00 0.00 H new ATOM 192 N THR A 13 5.941 -2.837 -13.525 1.00 0.00 N ATOM 193 CA THR A 13 7.220 -3.404 -13.918 1.00 0.00 C ATOM 194 C THR A 13 8.196 -2.254 -14.192 1.00 0.00 C ATOM 195 O THR A 13 8.770 -2.160 -15.277 1.00 0.00 O ATOM 196 CB THR A 13 6.988 -4.329 -15.123 1.00 0.00 C ATOM 197 OG1 THR A 13 5.929 -5.223 -14.827 1.00 0.00 O ATOM 198 CG2 THR A 13 8.217 -5.174 -15.463 1.00 0.00 C ATOM 0 H THR A 13 5.536 -2.241 -14.247 1.00 0.00 H new ATOM 0 HA THR A 13 7.667 -4.014 -13.133 1.00 0.00 H new ATOM 0 HB THR A 13 6.759 -3.687 -15.974 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.076 -4.743 -14.863 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.996 -5.808 -16.322 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.055 -4.519 -15.702 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.477 -5.798 -14.608 1.00 0.00 H new ATOM 206 N CYS A 14 8.358 -1.349 -13.221 1.00 0.00 N ATOM 207 CA CYS A 14 9.059 -0.091 -13.408 1.00 0.00 C ATOM 208 C CYS A 14 9.240 0.588 -12.050 1.00 0.00 C ATOM 209 O CYS A 14 8.480 0.336 -11.115 1.00 0.00 O ATOM 210 CB CYS A 14 8.230 0.804 -14.341 1.00 0.00 C ATOM 211 SG CYS A 14 6.485 0.897 -13.859 1.00 0.00 S ATOM 0 H CYS A 14 7.999 -1.479 -12.275 1.00 0.00 H new ATOM 0 HA CYS A 14 10.039 -0.265 -13.852 1.00 0.00 H new ATOM 0 HB2 CYS A 14 8.655 1.808 -14.346 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.301 0.423 -15.360 1.00 0.00 H new ATOM 216 N HIS A 15 10.230 1.478 -11.963 1.00 0.00 N ATOM 217 CA HIS A 15 10.366 2.400 -10.839 1.00 0.00 C ATOM 218 C HIS A 15 9.325 3.523 -10.931 1.00 0.00 C ATOM 219 O HIS A 15 8.937 4.090 -9.914 1.00 0.00 O ATOM 220 CB HIS A 15 11.800 2.940 -10.723 1.00 0.00 C ATOM 221 CG HIS A 15 12.537 3.119 -12.027 1.00 0.00 C ATOM 222 ND1 HIS A 15 13.574 2.327 -12.468 1.00 0.00 N ATOM 223 CD2 HIS A 15 12.290 4.059 -12.991 1.00 0.00 C ATOM 224 CE1 HIS A 15 13.944 2.783 -13.676 1.00 0.00 C ATOM 225 NE2 HIS A 15 13.189 3.833 -14.038 1.00 0.00 N ATOM 0 H HIS A 15 10.958 1.578 -12.670 1.00 0.00 H new ATOM 0 HA HIS A 15 10.169 1.849 -9.919 1.00 0.00 H new ATOM 0 HB2 HIS A 15 11.767 3.901 -10.210 1.00 0.00 H new ATOM 0 HB3 HIS A 15 12.374 2.262 -10.092 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.538 4.833 -12.950 1.00 0.00 H new ATOM 0 HE1 HIS A 15 14.739 2.363 -14.274 1.00 0.00 H new ATOM 0 HE2 HIS A 15 13.258 4.362 -14.907 1.00 0.00 H new ATOM 233 N SER A 16 8.882 3.864 -12.146 1.00 0.00 N ATOM 234 CA SER A 16 7.955 4.957 -12.378 1.00 0.00 C ATOM 235 C SER A 16 6.654 4.783 -11.591 1.00 0.00 C ATOM 236 O SER A 16 6.412 5.534 -10.652 1.00 0.00 O ATOM 237 CB SER A 16 7.716 5.106 -13.883 1.00 0.00 C ATOM 238 OG SER A 16 8.969 5.079 -14.541 1.00 0.00 O ATOM 0 H SER A 16 9.164 3.380 -12.998 1.00 0.00 H new ATOM 0 HA SER A 16 8.397 5.882 -12.007 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.079 4.300 -14.247 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.198 6.041 -14.094 1.00 0.00 H new ATOM 0 HG SER A 16 8.833 5.172 -15.507 1.00 0.00 H new ATOM 244 N CYS A 17 5.817 3.809 -11.963 1.00 0.00 N ATOM 245 CA CYS A 17 4.502 3.638 -11.364 1.00 0.00 C ATOM 246 C CYS A 17 4.619 3.413 -9.857 1.00 0.00 C ATOM 247 O CYS A 17 3.929 4.068 -9.079 1.00 0.00 O ATOM 248 CB CYS A 17 3.748 2.502 -12.060 1.00 0.00 C ATOM 249 SG CYS A 17 3.468 2.772 -13.832 1.00 0.00 S ATOM 0 H CYS A 17 6.037 3.123 -12.685 1.00 0.00 H new ATOM 0 HA CYS A 17 3.925 4.552 -11.506 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.307 1.576 -11.929 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.785 2.365 -11.568 1.00 0.00 H new ATOM 254 N THR A 18 5.508 2.507 -9.449 1.00 0.00 N ATOM 255 CA THR A 18 5.801 2.233 -8.052 1.00 0.00 C ATOM 256 C THR A 18 6.089 3.537 -7.294 1.00 0.00 C ATOM 257 O THR A 18 5.396 3.844 -6.328 1.00 0.00 O ATOM 258 CB THR A 18 6.954 1.221 -7.963 1.00 0.00 C ATOM 259 OG1 THR A 18 8.047 1.679 -8.723 1.00 0.00 O ATOM 260 CG2 THR A 18 6.565 -0.154 -8.521 1.00 0.00 C ATOM 0 H THR A 18 6.052 1.936 -10.096 1.00 0.00 H new ATOM 0 HA THR A 18 4.932 1.786 -7.569 1.00 0.00 H new ATOM 0 HB THR A 18 7.204 1.125 -6.906 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.121 1.147 -9.543 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.412 -0.834 -8.436 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.723 -0.551 -7.955 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.283 -0.055 -9.569 1.00 0.00 H new ATOM 268 N SER A 19 7.071 4.326 -7.743 1.00 0.00 N ATOM 269 CA SER A 19 7.405 5.621 -7.149 1.00 0.00 C ATOM 270 C SER A 19 6.199 6.570 -7.157 1.00 0.00 C ATOM 271 O SER A 19 5.896 7.188 -6.141 1.00 0.00 O ATOM 272 CB SER A 19 8.604 6.224 -7.889 1.00 0.00 C ATOM 273 OG SER A 19 9.031 7.425 -7.276 1.00 0.00 O ATOM 0 H SER A 19 7.661 4.079 -8.537 1.00 0.00 H new ATOM 0 HA SER A 19 7.676 5.473 -6.104 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.425 5.507 -7.902 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.334 6.418 -8.927 1.00 0.00 H new ATOM 0 HG SER A 19 9.798 7.788 -7.767 1.00 0.00 H new ATOM 279 N THR A 20 5.490 6.696 -8.282 1.00 0.00 N ATOM 280 CA THR A 20 4.307 7.542 -8.385 1.00 0.00 C ATOM 281 C THR A 20 3.274 7.171 -7.317 1.00 0.00 C ATOM 282 O THR A 20 2.747 8.047 -6.632 1.00 0.00 O ATOM 283 CB THR A 20 3.732 7.448 -9.807 1.00 0.00 C ATOM 284 OG1 THR A 20 4.670 7.973 -10.725 1.00 0.00 O ATOM 285 CG2 THR A 20 2.416 8.215 -9.969 1.00 0.00 C ATOM 0 H THR A 20 5.725 6.211 -9.148 1.00 0.00 H new ATOM 0 HA THR A 20 4.586 8.579 -8.200 1.00 0.00 H new ATOM 0 HB THR A 20 3.530 6.394 -9.999 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.376 7.312 -10.885 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.059 8.112 -10.994 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.672 7.810 -9.283 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.580 9.269 -9.746 1.00 0.00 H new ATOM 293 N ILE A 21 2.975 5.881 -7.169 1.00 0.00 N ATOM 294 CA ILE A 21 2.055 5.371 -6.185 1.00 0.00 C ATOM 295 C ILE A 21 2.592 5.690 -4.789 1.00 0.00 C ATOM 296 O ILE A 21 1.857 6.237 -3.971 1.00 0.00 O ATOM 297 CB ILE A 21 1.921 3.867 -6.472 1.00 0.00 C ATOM 298 CG1 ILE A 21 1.019 3.621 -7.683 1.00 0.00 C ATOM 299 CG2 ILE A 21 1.384 3.102 -5.286 1.00 0.00 C ATOM 300 CD1 ILE A 21 1.275 2.249 -8.309 1.00 0.00 C ATOM 0 H ILE A 21 3.384 5.151 -7.753 1.00 0.00 H new ATOM 0 HA ILE A 21 1.066 5.827 -6.232 1.00 0.00 H new ATOM 0 HB ILE A 21 2.926 3.502 -6.684 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.025 3.694 -7.380 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.189 4.398 -8.428 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.308 2.045 -5.539 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.058 3.225 -4.438 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.398 3.484 -5.023 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.616 2.111 -9.166 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.313 2.186 -8.636 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.079 1.470 -7.572 1.00 0.00 H new ATOM 312 N GLU A 22 3.868 5.379 -4.531 1.00 0.00 N ATOM 313 CA GLU A 22 4.563 5.737 -3.300 1.00 0.00 C ATOM 314 C GLU A 22 4.302 7.211 -2.960 1.00 0.00 C ATOM 315 O GLU A 22 3.866 7.524 -1.856 1.00 0.00 O ATOM 316 CB GLU A 22 6.070 5.394 -3.414 1.00 0.00 C ATOM 317 CG GLU A 22 6.418 4.113 -2.634 1.00 0.00 C ATOM 318 CD GLU A 22 7.913 3.810 -2.508 1.00 0.00 C ATOM 319 OE1 GLU A 22 8.709 4.768 -2.593 1.00 0.00 O ATOM 320 OE2 GLU A 22 8.241 2.621 -2.276 1.00 0.00 O ATOM 0 H GLU A 22 4.453 4.862 -5.188 1.00 0.00 H new ATOM 0 HA GLU A 22 4.174 5.148 -2.469 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.337 5.266 -4.463 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.663 6.225 -3.033 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.994 4.190 -1.633 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.932 3.267 -3.121 1.00 0.00 H new ATOM 327 N GLY A 23 4.501 8.110 -3.923 1.00 0.00 N ATOM 328 CA GLY A 23 4.219 9.528 -3.782 1.00 0.00 C ATOM 329 C GLY A 23 2.753 9.792 -3.430 1.00 0.00 C ATOM 330 O GLY A 23 2.460 10.414 -2.410 1.00 0.00 O ATOM 0 H GLY A 23 4.871 7.862 -4.841 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.859 9.949 -3.006 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.466 10.040 -4.712 1.00 0.00 H new ATOM 334 N LYS A 24 1.827 9.350 -4.290 1.00 0.00 N ATOM 335 CA LYS A 24 0.405 9.640 -4.139 1.00 0.00 C ATOM 336 C LYS A 24 -0.079 9.155 -2.775 1.00 0.00 C ATOM 337 O LYS A 24 -0.609 9.917 -1.970 1.00 0.00 O ATOM 338 CB LYS A 24 -0.401 9.005 -5.291 1.00 0.00 C ATOM 339 CG LYS A 24 -1.703 9.766 -5.614 1.00 0.00 C ATOM 340 CD LYS A 24 -2.796 9.602 -4.541 1.00 0.00 C ATOM 341 CE LYS A 24 -4.170 10.121 -5.005 1.00 0.00 C ATOM 342 NZ LYS A 24 -4.895 9.168 -5.879 1.00 0.00 N ATOM 0 H LYS A 24 2.047 8.782 -5.108 1.00 0.00 H new ATOM 0 HA LYS A 24 0.248 10.717 -4.189 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.222 8.969 -6.185 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.645 7.975 -5.030 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.475 10.826 -5.730 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.090 9.417 -6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.882 8.549 -4.274 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.497 10.136 -3.639 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.783 10.338 -4.130 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.033 11.061 -5.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.810 9.578 -6.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.329 8.979 -6.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.055 8.278 -5.365 1.00 0.00 H new ATOM 356 N ILE A 25 0.103 7.864 -2.534 1.00 0.00 N ATOM 357 CA ILE A 25 -0.394 7.198 -1.346 1.00 0.00 C ATOM 358 C ILE A 25 0.392 7.667 -0.119 1.00 0.00 C ATOM 359 O ILE A 25 -0.171 7.793 0.966 1.00 0.00 O ATOM 360 CB ILE A 25 -0.394 5.676 -1.546 1.00 0.00 C ATOM 361 CG1 ILE A 25 -1.148 5.242 -2.806 1.00 0.00 C ATOM 362 CG2 ILE A 25 -0.873 4.913 -0.303 1.00 0.00 C ATOM 363 CD1 ILE A 25 -2.627 5.580 -2.762 1.00 0.00 C ATOM 0 H ILE A 25 0.607 7.245 -3.169 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.434 7.472 -1.166 1.00 0.00 H new ATOM 0 HB ILE A 25 0.650 5.402 -1.698 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.698 5.722 -3.675 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.031 4.167 -2.940 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.852 3.842 -0.503 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.217 5.138 0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.891 5.217 -0.060 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.104 5.247 -3.684 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.090 5.079 -1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.751 6.658 -2.659 1.00 0.00 H new ATOM 375 N GLY A 26 1.675 7.995 -0.287 1.00 0.00 N ATOM 376 CA GLY A 26 2.478 8.630 0.744 1.00 0.00 C ATOM 377 C GLY A 26 1.797 9.864 1.336 1.00 0.00 C ATOM 378 O GLY A 26 1.977 10.156 2.515 1.00 0.00 O ATOM 0 H GLY A 26 2.185 7.823 -1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.677 7.912 1.539 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.442 8.917 0.324 1.00 0.00 H new ATOM 382 N LYS A 27 1.014 10.595 0.531 1.00 0.00 N ATOM 383 CA LYS A 27 0.321 11.789 0.965 1.00 0.00 C ATOM 384 C LYS A 27 -1.054 11.472 1.583 1.00 0.00 C ATOM 385 O LYS A 27 -1.778 12.402 1.940 1.00 0.00 O ATOM 386 CB LYS A 27 0.287 12.744 -0.240 1.00 0.00 C ATOM 387 CG LYS A 27 -0.440 14.055 0.059 1.00 0.00 C ATOM 388 CD LYS A 27 0.095 15.237 -0.761 1.00 0.00 C ATOM 389 CE LYS A 27 1.351 15.818 -0.088 1.00 0.00 C ATOM 390 NZ LYS A 27 1.959 16.911 -0.874 1.00 0.00 N ATOM 0 H LYS A 27 0.850 10.361 -0.448 1.00 0.00 H new ATOM 0 HA LYS A 27 0.845 12.281 1.785 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.308 12.964 -0.552 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.202 12.246 -1.078 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.503 13.929 -0.146 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.344 14.283 1.121 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.333 14.910 -1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.671 16.007 -0.847 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.090 16.189 0.903 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.084 15.024 0.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.801 17.268 -0.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.234 16.553 -1.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.270 17.682 -0.987 1.00 0.00 H new ATOM 404 N LEU A 28 -1.447 10.202 1.754 1.00 0.00 N ATOM 405 CA LEU A 28 -2.668 9.897 2.476 1.00 0.00 C ATOM 406 C LEU A 28 -2.494 10.215 3.959 1.00 0.00 C ATOM 407 O LEU A 28 -1.396 10.130 4.506 1.00 0.00 O ATOM 408 CB LEU A 28 -3.038 8.422 2.341 1.00 0.00 C ATOM 409 CG LEU A 28 -3.417 7.924 0.935 1.00 0.00 C ATOM 410 CD1 LEU A 28 -4.614 6.981 1.053 1.00 0.00 C ATOM 411 CD2 LEU A 28 -3.746 9.000 -0.108 1.00 0.00 C ATOM 0 H LEU A 28 -0.940 9.389 1.405 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.463 10.507 2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.196 7.827 2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.875 8.220 3.009 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.517 7.435 0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.893 6.621 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.349 6.134 1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.455 7.515 1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.997 8.523 -1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.594 9.593 0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.881 9.649 -0.246 1.00 0.00 H new ATOM 423 N GLN A 29 -3.607 10.525 4.623 1.00 0.00 N ATOM 424 CA GLN A 29 -3.647 10.652 6.067 1.00 0.00 C ATOM 425 C GLN A 29 -3.821 9.258 6.671 1.00 0.00 C ATOM 426 O GLN A 29 -4.645 8.478 6.201 1.00 0.00 O ATOM 427 CB GLN A 29 -4.782 11.611 6.445 1.00 0.00 C ATOM 428 CG GLN A 29 -4.843 11.862 7.963 1.00 0.00 C ATOM 429 CD GLN A 29 -5.042 13.332 8.345 1.00 0.00 C ATOM 430 OE1 GLN A 29 -5.222 14.205 7.504 1.00 0.00 O ATOM 431 NE2 GLN A 29 -4.987 13.629 9.640 1.00 0.00 N ATOM 0 H GLN A 29 -4.504 10.694 4.168 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.722 11.070 6.464 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.643 12.559 5.926 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.733 11.199 6.107 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.658 11.274 8.385 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.921 11.501 8.418 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.837 12.890 10.327 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.095 14.596 9.947 1.00 0.00 H new ATOM 440 N GLY A 30 -3.041 8.948 7.710 1.00 0.00 N ATOM 441 CA GLY A 30 -3.150 7.708 8.470 1.00 0.00 C ATOM 442 C GLY A 30 -2.025 6.727 8.154 1.00 0.00 C ATOM 443 O GLY A 30 -2.150 5.534 8.440 1.00 0.00 O ATOM 0 H GLY A 30 -2.304 9.566 8.050 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.139 7.937 9.536 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.109 7.237 8.255 1.00 0.00 H new ATOM 447 N VAL A 31 -0.930 7.232 7.577 1.00 0.00 N ATOM 448 CA VAL A 31 0.211 6.458 7.131 1.00 0.00 C ATOM 449 C VAL A 31 1.476 6.966 7.812 1.00 0.00 C ATOM 450 O VAL A 31 1.614 8.172 8.012 1.00 0.00 O ATOM 451 CB VAL A 31 0.317 6.620 5.602 1.00 0.00 C ATOM 452 CG1 VAL A 31 1.560 5.943 5.020 1.00 0.00 C ATOM 453 CG2 VAL A 31 -0.911 6.017 4.926 1.00 0.00 C ATOM 0 H VAL A 31 -0.819 8.231 7.405 1.00 0.00 H new ATOM 0 HA VAL A 31 0.090 5.406 7.388 1.00 0.00 H new ATOM 0 HB VAL A 31 0.387 7.691 5.410 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.582 6.090 3.940 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.454 6.380 5.464 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.530 4.876 5.241 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.827 6.136 3.846 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.977 4.957 5.170 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.808 6.527 5.279 1.00 0.00 H new ATOM 463 N GLN A 32 2.399 6.054 8.141 1.00 0.00 N ATOM 464 CA GLN A 32 3.719 6.400 8.646 1.00 0.00 C ATOM 465 C GLN A 32 4.811 6.186 7.593 1.00 0.00 C ATOM 466 O GLN A 32 5.835 6.866 7.615 1.00 0.00 O ATOM 467 CB GLN A 32 3.998 5.630 9.937 1.00 0.00 C ATOM 468 CG GLN A 32 4.244 4.128 9.755 1.00 0.00 C ATOM 469 CD GLN A 32 5.486 3.671 10.520 1.00 0.00 C ATOM 470 OE1 GLN A 32 6.533 3.431 9.922 1.00 0.00 O ATOM 471 NE2 GLN A 32 5.408 3.579 11.842 1.00 0.00 N ATOM 0 H GLN A 32 2.242 5.049 8.061 1.00 0.00 H new ATOM 0 HA GLN A 32 3.733 7.465 8.876 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.869 6.069 10.423 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.154 5.765 10.613 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.375 3.570 10.103 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.364 3.903 8.695 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.528 3.783 12.316 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.228 3.304 12.383 1.00 0.00 H new ATOM 480 N ARG A 33 4.618 5.215 6.694 1.00 0.00 N ATOM 481 CA ARG A 33 5.590 4.799 5.701 1.00 0.00 C ATOM 482 C ARG A 33 4.852 4.053 4.603 1.00 0.00 C ATOM 483 O ARG A 33 3.700 3.647 4.754 1.00 0.00 O ATOM 484 CB ARG A 33 6.671 3.888 6.317 1.00 0.00 C ATOM 485 CG ARG A 33 7.982 4.634 6.573 1.00 0.00 C ATOM 486 CD ARG A 33 9.110 3.630 6.843 1.00 0.00 C ATOM 487 NE ARG A 33 10.409 4.309 6.960 1.00 0.00 N ATOM 488 CZ ARG A 33 10.844 4.969 8.044 1.00 0.00 C ATOM 489 NH1 ARG A 33 10.092 5.005 9.149 1.00 0.00 N ATOM 490 NH2 ARG A 33 12.029 5.591 8.009 1.00 0.00 N ATOM 0 H ARG A 33 3.748 4.685 6.644 1.00 0.00 H new ATOM 0 HA ARG A 33 6.094 5.679 5.301 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.302 3.474 7.255 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.858 3.047 5.649 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.233 5.253 5.711 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.869 5.305 7.425 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.900 3.081 7.761 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.150 2.898 6.036 1.00 0.00 H new ATOM 0 HE ARG A 33 11.030 4.275 6.151 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.189 4.531 9.167 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.421 5.506 9.974 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.596 5.561 7.161 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.365 6.094 8.830 1.00 0.00 H new ATOM 504 N ILE A 34 5.560 3.842 3.502 1.00 0.00 N ATOM 505 CA ILE A 34 5.101 3.129 2.349 1.00 0.00 C ATOM 506 C ILE A 34 6.386 2.627 1.698 1.00 0.00 C ATOM 507 O ILE A 34 7.416 3.298 1.781 1.00 0.00 O ATOM 508 CB ILE A 34 4.249 4.067 1.477 1.00 0.00 C ATOM 509 CG1 ILE A 34 3.662 3.285 0.296 1.00 0.00 C ATOM 510 CG2 ILE A 34 5.024 5.323 1.037 1.00 0.00 C ATOM 511 CD1 ILE A 34 2.489 4.024 -0.344 1.00 0.00 C ATOM 0 H ILE A 34 6.515 4.186 3.398 1.00 0.00 H new ATOM 0 HA ILE A 34 4.441 2.286 2.553 1.00 0.00 H new ATOM 0 HB ILE A 34 3.420 4.441 2.078 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.438 3.118 -0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.331 2.304 0.637 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.379 5.952 0.424 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.344 5.880 1.918 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.898 5.027 0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.101 3.438 -1.177 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.702 4.168 0.396 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.826 4.994 -0.709 1.00 0.00 H new ATOM 523 N LYS A 35 6.348 1.417 1.159 1.00 0.00 N ATOM 524 CA LYS A 35 7.403 0.807 0.390 1.00 0.00 C ATOM 525 C LYS A 35 6.795 0.052 -0.787 1.00 0.00 C ATOM 526 O LYS A 35 5.659 -0.394 -0.689 1.00 0.00 O ATOM 527 CB LYS A 35 8.316 -0.053 1.282 1.00 0.00 C ATOM 528 CG LYS A 35 9.502 0.704 1.892 1.00 0.00 C ATOM 529 CD LYS A 35 10.471 1.183 0.804 1.00 0.00 C ATOM 530 CE LYS A 35 11.720 1.827 1.411 1.00 0.00 C ATOM 531 NZ LYS A 35 12.489 2.554 0.379 1.00 0.00 N ATOM 0 H LYS A 35 5.534 0.809 1.256 1.00 0.00 H new ATOM 0 HA LYS A 35 8.057 1.574 -0.025 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.719 -0.479 2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.697 -0.887 0.693 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.137 1.559 2.461 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.029 0.056 2.593 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.763 0.340 0.178 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.967 1.901 0.157 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.431 2.514 2.207 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.347 1.059 1.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.332 2.983 0.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.782 1.891 -0.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.895 3.300 -0.035 1.00 0.00 H new ATOM 545 N VAL A 36 7.508 -0.091 -1.902 1.00 0.00 N ATOM 546 CA VAL A 36 7.047 -0.904 -3.021 1.00 0.00 C ATOM 547 C VAL A 36 8.230 -1.672 -3.618 1.00 0.00 C ATOM 548 O VAL A 36 9.350 -1.165 -3.658 1.00 0.00 O ATOM 549 CB VAL A 36 6.307 -0.025 -4.047 1.00 0.00 C ATOM 550 CG1 VAL A 36 5.832 -0.857 -5.242 1.00 0.00 C ATOM 551 CG2 VAL A 36 5.056 0.639 -3.451 1.00 0.00 C ATOM 0 H VAL A 36 8.415 0.351 -2.053 1.00 0.00 H new ATOM 0 HA VAL A 36 6.326 -1.647 -2.679 1.00 0.00 H new ATOM 0 HB VAL A 36 7.025 0.736 -4.352 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.313 -0.212 -5.951 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.692 -1.316 -5.731 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.153 -1.636 -4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.569 1.248 -4.213 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.365 -0.130 -3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.345 1.271 -2.611 1.00 0.00 H new ATOM 561 N SER A 37 7.966 -2.907 -4.052 1.00 0.00 N ATOM 562 CA SER A 37 8.905 -3.822 -4.685 1.00 0.00 C ATOM 563 C SER A 37 8.501 -4.030 -6.148 1.00 0.00 C ATOM 564 O SER A 37 7.392 -3.678 -6.545 1.00 0.00 O ATOM 565 CB SER A 37 8.893 -5.157 -3.944 1.00 0.00 C ATOM 566 OG SER A 37 8.998 -4.970 -2.545 1.00 0.00 O ATOM 0 H SER A 37 7.035 -3.314 -3.963 1.00 0.00 H new ATOM 0 HA SER A 37 9.911 -3.403 -4.647 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.973 -5.694 -4.173 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.719 -5.777 -4.293 1.00 0.00 H new ATOM 0 HG SER A 37 8.986 -5.841 -2.097 1.00 0.00 H new ATOM 572 N LEU A 38 9.391 -4.641 -6.934 1.00 0.00 N ATOM 573 CA LEU A 38 9.187 -4.908 -8.352 1.00 0.00 C ATOM 574 C LEU A 38 9.277 -6.407 -8.598 1.00 0.00 C ATOM 575 O LEU A 38 8.323 -6.999 -9.092 1.00 0.00 O ATOM 576 CB LEU A 38 10.196 -4.072 -9.152 1.00 0.00 C ATOM 577 CG LEU A 38 10.707 -4.621 -10.492 1.00 0.00 C ATOM 578 CD1 LEU A 38 9.580 -5.053 -11.435 1.00 0.00 C ATOM 579 CD2 LEU A 38 11.543 -3.530 -11.174 1.00 0.00 C ATOM 0 H LEU A 38 10.293 -4.970 -6.590 1.00 0.00 H new ATOM 0 HA LEU A 38 8.194 -4.610 -8.689 1.00 0.00 H new ATOM 0 HB2 LEU A 38 9.742 -3.100 -9.344 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.062 -3.899 -8.513 1.00 0.00 H new ATOM 0 HG LEU A 38 11.300 -5.511 -10.280 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.007 -5.431 -12.364 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.990 -5.837 -10.961 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.940 -4.198 -11.652 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.916 -3.901 -12.129 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.923 -2.649 -11.344 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.385 -3.264 -10.535 1.00 0.00 H new ATOM 591 N ASP A 39 10.398 -7.026 -8.226 1.00 0.00 N ATOM 592 CA ASP A 39 10.701 -8.428 -8.479 1.00 0.00 C ATOM 593 C ASP A 39 9.517 -9.315 -8.133 1.00 0.00 C ATOM 594 O ASP A 39 9.000 -10.044 -8.975 1.00 0.00 O ATOM 595 CB ASP A 39 11.894 -8.871 -7.620 1.00 0.00 C ATOM 596 CG ASP A 39 13.081 -7.921 -7.714 1.00 0.00 C ATOM 597 OD1 ASP A 39 12.867 -6.735 -7.369 1.00 0.00 O ATOM 598 OD2 ASP A 39 14.161 -8.389 -8.133 1.00 0.00 O ATOM 0 H ASP A 39 11.144 -6.545 -7.723 1.00 0.00 H new ATOM 0 HA ASP A 39 10.933 -8.528 -9.539 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.577 -8.946 -6.580 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.208 -9.868 -7.930 1.00 0.00 H new ATOM 603 N ASN A 40 9.097 -9.227 -6.869 1.00 0.00 N ATOM 604 CA ASN A 40 8.015 -10.044 -6.351 1.00 0.00 C ATOM 605 C ASN A 40 6.660 -9.333 -6.497 1.00 0.00 C ATOM 606 O ASN A 40 5.688 -9.734 -5.863 1.00 0.00 O ATOM 607 CB ASN A 40 8.307 -10.459 -4.909 1.00 0.00 C ATOM 608 CG ASN A 40 7.672 -11.802 -4.542 1.00 0.00 C ATOM 609 OD1 ASN A 40 7.882 -12.798 -5.226 1.00 0.00 O ATOM 610 ND2 ASN A 40 6.936 -11.882 -3.436 1.00 0.00 N ATOM 0 H ASN A 40 9.500 -8.588 -6.184 1.00 0.00 H new ATOM 0 HA ASN A 40 7.948 -10.955 -6.945 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.386 -10.520 -4.764 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.937 -9.689 -4.232 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.541 -12.778 -3.150 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.767 -11.048 -2.874 1.00 0.00 H new ATOM 617 N GLN A 41 6.632 -8.255 -7.295 1.00 0.00 N ATOM 618 CA GLN A 41 5.542 -7.327 -7.572 1.00 0.00 C ATOM 619 C GLN A 41 4.603 -7.135 -6.366 1.00 0.00 C ATOM 620 O GLN A 41 3.445 -7.558 -6.361 1.00 0.00 O ATOM 621 CB GLN A 41 4.853 -7.742 -8.891 1.00 0.00 C ATOM 622 CG GLN A 41 4.760 -6.556 -9.858 1.00 0.00 C ATOM 623 CD GLN A 41 4.264 -6.952 -11.249 1.00 0.00 C ATOM 624 OE1 GLN A 41 3.533 -7.919 -11.435 1.00 0.00 O ATOM 625 NE2 GLN A 41 4.684 -6.203 -12.263 1.00 0.00 N ATOM 0 H GLN A 41 7.468 -7.990 -7.816 1.00 0.00 H new ATOM 0 HA GLN A 41 5.938 -6.323 -7.725 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.411 -8.554 -9.358 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.854 -8.123 -8.680 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.089 -5.806 -9.440 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.742 -6.091 -9.948 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.292 -5.403 -12.088 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.399 -6.428 -13.216 1.00 0.00 H new ATOM 634 N GLU A 42 5.126 -6.495 -5.312 1.00 0.00 N ATOM 635 CA GLU A 42 4.484 -6.413 -4.005 1.00 0.00 C ATOM 636 C GLU A 42 4.607 -4.990 -3.454 1.00 0.00 C ATOM 637 O GLU A 42 5.579 -4.300 -3.750 1.00 0.00 O ATOM 638 CB GLU A 42 5.109 -7.482 -3.093 1.00 0.00 C ATOM 639 CG GLU A 42 4.317 -7.722 -1.803 1.00 0.00 C ATOM 640 CD GLU A 42 4.731 -9.028 -1.129 1.00 0.00 C ATOM 641 OE1 GLU A 42 4.445 -10.096 -1.719 1.00 0.00 O ATOM 642 OE2 GLU A 42 5.310 -8.941 -0.025 1.00 0.00 O ATOM 0 H GLU A 42 6.024 -6.013 -5.350 1.00 0.00 H new ATOM 0 HA GLU A 42 3.416 -6.618 -4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.184 -8.420 -3.644 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.125 -7.181 -2.836 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.476 -6.890 -1.117 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.251 -7.749 -2.029 1.00 0.00 H new ATOM 649 N ALA A 43 3.608 -4.548 -2.685 1.00 0.00 N ATOM 650 CA ALA A 43 3.449 -3.196 -2.171 1.00 0.00 C ATOM 651 C ALA A 43 3.246 -3.242 -0.655 1.00 0.00 C ATOM 652 O ALA A 43 2.456 -4.044 -0.161 1.00 0.00 O ATOM 653 CB ALA A 43 2.255 -2.533 -2.865 1.00 0.00 C ATOM 0 H ALA A 43 2.849 -5.163 -2.391 1.00 0.00 H new ATOM 0 HA ALA A 43 4.344 -2.609 -2.377 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.130 -1.519 -2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.432 -2.498 -3.940 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.352 -3.110 -2.665 1.00 0.00 H new ATOM 659 N THR A 44 3.961 -2.378 0.063 1.00 0.00 N ATOM 660 CA THR A 44 4.027 -2.233 1.511 1.00 0.00 C ATOM 661 C THR A 44 3.398 -0.903 1.896 1.00 0.00 C ATOM 662 O THR A 44 3.938 0.140 1.558 1.00 0.00 O ATOM 663 CB THR A 44 5.518 -2.239 1.911 1.00 0.00 C ATOM 664 OG1 THR A 44 6.055 -3.522 1.652 1.00 0.00 O ATOM 665 CG2 THR A 44 5.747 -1.908 3.388 1.00 0.00 C ATOM 0 H THR A 44 4.565 -1.699 -0.401 1.00 0.00 H new ATOM 0 HA THR A 44 3.496 -3.040 2.015 1.00 0.00 H new ATOM 0 HB THR A 44 6.010 -1.465 1.322 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.003 -3.536 1.901 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.815 -1.929 3.604 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.352 -0.915 3.604 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.237 -2.644 4.009 1.00 0.00 H new ATOM 673 N ILE A 45 2.276 -0.912 2.611 1.00 0.00 N ATOM 674 CA ILE A 45 1.618 0.312 3.045 1.00 0.00 C ATOM 675 C ILE A 45 1.611 0.275 4.570 1.00 0.00 C ATOM 676 O ILE A 45 0.998 -0.623 5.146 1.00 0.00 O ATOM 677 CB ILE A 45 0.219 0.385 2.416 1.00 0.00 C ATOM 678 CG1 ILE A 45 0.282 0.580 0.886 1.00 0.00 C ATOM 679 CG2 ILE A 45 -0.559 1.573 2.996 1.00 0.00 C ATOM 680 CD1 ILE A 45 0.771 -0.612 0.058 1.00 0.00 C ATOM 0 H ILE A 45 1.801 -1.766 2.904 1.00 0.00 H new ATOM 0 HA ILE A 45 2.132 1.217 2.722 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.274 -0.561 2.641 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.714 0.851 0.537 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.934 1.428 0.678 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.550 1.615 2.543 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.658 1.451 4.075 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.023 2.498 2.783 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.769 -0.346 -0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.783 -0.876 0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.109 -1.463 0.220 1.00 0.00 H new ATOM 692 N VAL A 46 2.345 1.188 5.219 1.00 0.00 N ATOM 693 CA VAL A 46 2.565 1.137 6.659 1.00 0.00 C ATOM 694 C VAL A 46 1.610 2.122 7.329 1.00 0.00 C ATOM 695 O VAL A 46 1.923 3.310 7.455 1.00 0.00 O ATOM 696 CB VAL A 46 4.039 1.401 7.000 1.00 0.00 C ATOM 697 CG1 VAL A 46 4.329 0.904 8.421 1.00 0.00 C ATOM 698 CG2 VAL A 46 4.975 0.711 5.998 1.00 0.00 C ATOM 0 H VAL A 46 2.798 1.977 4.758 1.00 0.00 H new ATOM 0 HA VAL A 46 2.350 0.139 7.042 1.00 0.00 H new ATOM 0 HB VAL A 46 4.221 2.474 6.941 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.375 1.090 8.665 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.691 1.433 9.129 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.128 -0.166 8.481 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.011 0.917 6.267 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.802 -0.365 6.019 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.778 1.090 4.995 1.00 0.00 H new ATOM 708 N TYR A 47 0.428 1.625 7.710 1.00 0.00 N ATOM 709 CA TYR A 47 -0.706 2.449 8.105 1.00 0.00 C ATOM 710 C TYR A 47 -1.109 2.249 9.554 1.00 0.00 C ATOM 711 O TYR A 47 -0.732 1.263 10.186 1.00 0.00 O ATOM 712 CB TYR A 47 -1.897 2.227 7.153 1.00 0.00 C ATOM 713 CG TYR A 47 -2.949 1.194 7.551 1.00 0.00 C ATOM 714 CD1 TYR A 47 -2.594 -0.026 8.157 1.00 0.00 C ATOM 715 CD2 TYR A 47 -4.313 1.476 7.339 1.00 0.00 C ATOM 716 CE1 TYR A 47 -3.586 -0.885 8.660 1.00 0.00 C ATOM 717 CE2 TYR A 47 -5.299 0.566 7.750 1.00 0.00 C ATOM 718 CZ TYR A 47 -4.939 -0.610 8.418 1.00 0.00 C ATOM 719 OH TYR A 47 -5.907 -1.485 8.813 1.00 0.00 O ATOM 0 H TYR A 47 0.236 0.624 7.751 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.385 3.488 8.024 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.402 3.184 7.021 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.498 1.940 6.180 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.553 -0.303 8.236 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.602 2.398 6.857 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.306 -1.757 9.233 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.340 0.774 7.550 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.787 -1.133 8.565 1.00 0.00 H new ATOM 729 N GLN A 48 -1.917 3.177 10.057 1.00 0.00 N ATOM 730 CA GLN A 48 -2.444 3.104 11.403 1.00 0.00 C ATOM 731 C GLN A 48 -3.902 2.625 11.345 1.00 0.00 C ATOM 732 O GLN A 48 -4.753 3.385 10.873 1.00 0.00 O ATOM 733 CB GLN A 48 -2.294 4.474 12.066 1.00 0.00 C ATOM 734 CG GLN A 48 -2.335 4.275 13.591 1.00 0.00 C ATOM 735 CD GLN A 48 -2.236 5.584 14.362 1.00 0.00 C ATOM 736 OE1 GLN A 48 -3.236 6.081 14.869 1.00 0.00 O ATOM 737 NE2 GLN A 48 -1.039 6.149 14.477 1.00 0.00 N ATOM 0 H GLN A 48 -2.222 4.000 9.537 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.892 2.385 12.008 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.355 4.940 11.768 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.095 5.141 11.748 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.262 3.769 13.862 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.516 3.621 13.889 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.225 5.712 14.044 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.934 7.020 14.998 1.00 0.00 H new ATOM 746 N PRO A 49 -4.213 1.400 11.820 1.00 0.00 N ATOM 747 CA PRO A 49 -5.561 0.837 11.806 1.00 0.00 C ATOM 748 C PRO A 49 -6.437 1.549 12.845 1.00 0.00 C ATOM 749 O PRO A 49 -6.817 0.970 13.861 1.00 0.00 O ATOM 750 CB PRO A 49 -5.381 -0.651 12.128 1.00 0.00 C ATOM 751 CG PRO A 49 -4.142 -0.661 13.016 1.00 0.00 C ATOM 752 CD PRO A 49 -3.283 0.445 12.406 1.00 0.00 C ATOM 0 HA PRO A 49 -6.063 0.967 10.847 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.250 -1.061 12.643 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.236 -1.245 11.226 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.389 -0.454 14.057 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.636 -1.626 12.994 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.663 0.921 13.166 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.609 0.043 11.650 1.00 0.00 H new ATOM 760 N HIS A 50 -6.723 2.827 12.601 1.00 0.00 N ATOM 761 CA HIS A 50 -7.411 3.721 13.519 1.00 0.00 C ATOM 762 C HIS A 50 -7.687 5.042 12.802 1.00 0.00 C ATOM 763 O HIS A 50 -8.794 5.566 12.864 1.00 0.00 O ATOM 764 CB HIS A 50 -6.574 3.944 14.798 1.00 0.00 C ATOM 765 CG HIS A 50 -7.380 3.870 16.071 1.00 0.00 C ATOM 766 ND1 HIS A 50 -7.456 4.841 17.044 1.00 0.00 N ATOM 767 CD2 HIS A 50 -8.088 2.784 16.517 1.00 0.00 C ATOM 768 CE1 HIS A 50 -8.206 4.351 18.046 1.00 0.00 C ATOM 769 NE2 HIS A 50 -8.614 3.101 17.771 1.00 0.00 N ATOM 0 H HIS A 50 -6.470 3.281 11.723 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.356 3.274 13.828 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -5.781 3.198 14.837 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -6.091 4.920 14.740 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -8.216 1.849 15.992 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -8.448 4.890 18.950 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -9.193 2.503 18.361 1.00 0.00 H new ATOM 777 N LEU A 51 -6.672 5.574 12.109 1.00 0.00 N ATOM 778 CA LEU A 51 -6.803 6.823 11.370 1.00 0.00 C ATOM 779 C LEU A 51 -7.548 6.601 10.055 1.00 0.00 C ATOM 780 O LEU A 51 -8.380 7.423 9.680 1.00 0.00 O ATOM 781 CB LEU A 51 -5.435 7.466 11.137 1.00 0.00 C ATOM 782 CG LEU A 51 -4.732 7.873 12.447 1.00 0.00 C ATOM 783 CD1 LEU A 51 -3.261 8.229 12.205 1.00 0.00 C ATOM 784 CD2 LEU A 51 -5.404 9.082 13.112 1.00 0.00 C ATOM 0 H LEU A 51 -5.746 5.150 12.049 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.393 7.515 11.971 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.800 6.768 10.591 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.556 8.347 10.507 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.807 7.007 13.105 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.795 8.511 13.149 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.742 7.366 11.788 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.199 9.063 11.506 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.875 9.332 14.031 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.375 9.934 12.433 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.441 8.839 13.345 1.00 0.00 H new ATOM 796 N ILE A 52 -7.240 5.513 9.341 1.00 0.00 N ATOM 797 CA ILE A 52 -7.780 5.214 8.036 1.00 0.00 C ATOM 798 C ILE A 52 -7.869 3.688 7.884 1.00 0.00 C ATOM 799 O ILE A 52 -7.286 2.966 8.694 1.00 0.00 O ATOM 800 CB ILE A 52 -6.876 5.908 7.001 1.00 0.00 C ATOM 801 CG1 ILE A 52 -7.720 6.459 5.864 1.00 0.00 C ATOM 802 CG2 ILE A 52 -5.796 4.988 6.429 1.00 0.00 C ATOM 803 CD1 ILE A 52 -8.381 7.795 6.218 1.00 0.00 C ATOM 0 H ILE A 52 -6.588 4.804 9.676 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.792 5.590 7.887 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.365 6.714 7.527 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.094 6.590 4.981 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.491 5.734 5.603 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.194 5.539 5.706 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.157 4.631 7.237 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.266 4.137 5.936 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.972 8.144 5.371 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.030 7.662 7.083 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.612 8.531 6.452 1.00 0.00 H new ATOM 815 N SER A 53 -8.613 3.196 6.887 1.00 0.00 N ATOM 816 CA SER A 53 -8.936 1.787 6.701 1.00 0.00 C ATOM 817 C SER A 53 -8.227 1.189 5.474 1.00 0.00 C ATOM 818 O SER A 53 -7.857 1.901 4.539 1.00 0.00 O ATOM 819 CB SER A 53 -10.456 1.684 6.549 1.00 0.00 C ATOM 820 OG SER A 53 -10.881 2.578 5.536 1.00 0.00 O ATOM 0 H SER A 53 -9.018 3.793 6.166 1.00 0.00 H new ATOM 0 HA SER A 53 -8.589 1.216 7.562 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.740 0.663 6.293 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.946 1.924 7.493 1.00 0.00 H new ATOM 0 HG SER A 53 -11.853 2.516 5.432 1.00 0.00 H new ATOM 826 N VAL A 54 -8.084 -0.144 5.464 1.00 0.00 N ATOM 827 CA VAL A 54 -7.548 -0.902 4.334 1.00 0.00 C ATOM 828 C VAL A 54 -8.257 -0.540 3.030 1.00 0.00 C ATOM 829 O VAL A 54 -7.612 -0.356 1.998 1.00 0.00 O ATOM 830 CB VAL A 54 -7.657 -2.413 4.617 1.00 0.00 C ATOM 831 CG1 VAL A 54 -7.588 -3.264 3.340 1.00 0.00 C ATOM 832 CG2 VAL A 54 -6.510 -2.844 5.529 1.00 0.00 C ATOM 0 H VAL A 54 -8.343 -0.732 6.256 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.497 -0.639 4.214 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.628 -2.575 5.085 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.670 -4.319 3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.407 -2.990 2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.638 -3.088 2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.587 -3.913 5.730 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.558 -2.634 5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.565 -2.294 6.468 1.00 0.00 H new ATOM 842 N GLU A 55 -9.588 -0.480 3.063 1.00 0.00 N ATOM 843 CA GLU A 55 -10.337 -0.201 1.855 1.00 0.00 C ATOM 844 C GLU A 55 -9.948 1.168 1.298 1.00 0.00 C ATOM 845 O GLU A 55 -9.818 1.280 0.096 1.00 0.00 O ATOM 846 CB GLU A 55 -11.841 -0.367 2.075 1.00 0.00 C ATOM 847 CG GLU A 55 -12.657 -0.288 0.779 1.00 0.00 C ATOM 848 CD GLU A 55 -13.204 -1.636 0.326 1.00 0.00 C ATOM 849 OE1 GLU A 55 -14.197 -2.082 0.933 1.00 0.00 O ATOM 850 OE2 GLU A 55 -12.629 -2.192 -0.637 1.00 0.00 O ATOM 0 H GLU A 55 -10.154 -0.619 3.900 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.074 -0.937 1.095 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.027 -1.328 2.555 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.188 0.405 2.762 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -13.488 0.403 0.923 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -12.031 0.126 -0.011 1.00 0.00 H new ATOM 857 N GLU A 56 -9.705 2.194 2.117 1.00 0.00 N ATOM 858 CA GLU A 56 -9.272 3.488 1.625 1.00 0.00 C ATOM 859 C GLU A 56 -8.007 3.283 0.795 1.00 0.00 C ATOM 860 O GLU A 56 -7.975 3.655 -0.373 1.00 0.00 O ATOM 861 CB GLU A 56 -9.073 4.473 2.791 1.00 0.00 C ATOM 862 CG GLU A 56 -9.781 5.808 2.517 1.00 0.00 C ATOM 863 CD GLU A 56 -9.225 6.523 1.290 1.00 0.00 C ATOM 864 OE1 GLU A 56 -8.001 6.763 1.287 1.00 0.00 O ATOM 865 OE2 GLU A 56 -10.021 6.807 0.366 1.00 0.00 O ATOM 0 H GLU A 56 -9.804 2.144 3.131 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.034 3.935 0.986 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.460 4.035 3.711 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.008 4.648 2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.847 5.628 2.377 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.679 6.455 3.388 1.00 0.00 H new ATOM 872 N MET A 57 -7.001 2.599 1.353 1.00 0.00 N ATOM 873 CA MET A 57 -5.818 2.245 0.607 1.00 0.00 C ATOM 874 C MET A 57 -6.158 1.585 -0.730 1.00 0.00 C ATOM 875 O MET A 57 -5.829 2.125 -1.782 1.00 0.00 O ATOM 876 CB MET A 57 -4.895 1.379 1.439 1.00 0.00 C ATOM 877 CG MET A 57 -4.488 2.019 2.757 1.00 0.00 C ATOM 878 SD MET A 57 -3.704 3.635 2.591 1.00 0.00 S ATOM 879 CE MET A 57 -3.374 3.918 4.326 1.00 0.00 C ATOM 0 H MET A 57 -6.996 2.285 2.323 1.00 0.00 H new ATOM 0 HA MET A 57 -5.290 3.169 0.373 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.387 0.428 1.643 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.999 1.156 0.860 1.00 0.00 H new ATOM 0 HG2 MET A 57 -5.373 2.121 3.386 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.803 1.348 3.276 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.397 4.988 4.531 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.133 3.417 4.927 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.391 3.521 4.579 1.00 0.00 H new ATOM 889 N LYS A 58 -6.807 0.418 -0.710 1.00 0.00 N ATOM 890 CA LYS A 58 -7.102 -0.280 -1.952 1.00 0.00 C ATOM 891 C LYS A 58 -7.949 0.560 -2.891 1.00 0.00 C ATOM 892 O LYS A 58 -7.522 0.791 -4.008 1.00 0.00 O ATOM 893 CB LYS A 58 -7.605 -1.694 -1.693 1.00 0.00 C ATOM 894 CG LYS A 58 -8.500 -2.323 -2.764 1.00 0.00 C ATOM 895 CD LYS A 58 -9.977 -2.271 -2.351 1.00 0.00 C ATOM 896 CE LYS A 58 -10.838 -3.030 -3.365 1.00 0.00 C ATOM 897 NZ LYS A 58 -12.275 -2.865 -3.085 1.00 0.00 N ATOM 0 H LYS A 58 -7.130 -0.051 0.136 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.172 -0.422 -2.502 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.739 -2.341 -1.553 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.155 -1.690 -0.752 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.365 -1.798 -3.709 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.202 -3.358 -2.929 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.100 -2.707 -1.360 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.308 -1.234 -2.286 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.619 -2.671 -4.371 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.581 -4.089 -3.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.713 -3.799 -2.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.398 -2.303 -2.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.730 -2.376 -3.882 1.00 0.00 H new ATOM 911 N LYS A 59 -9.114 1.034 -2.469 1.00 0.00 N ATOM 912 CA LYS A 59 -9.973 1.917 -3.241 1.00 0.00 C ATOM 913 C LYS A 59 -9.127 2.995 -3.922 1.00 0.00 C ATOM 914 O LYS A 59 -9.204 3.146 -5.140 1.00 0.00 O ATOM 915 CB LYS A 59 -11.066 2.497 -2.331 1.00 0.00 C ATOM 916 CG LYS A 59 -12.400 2.817 -3.011 1.00 0.00 C ATOM 917 CD LYS A 59 -12.329 4.031 -3.940 1.00 0.00 C ATOM 918 CE LYS A 59 -13.723 4.289 -4.526 1.00 0.00 C ATOM 919 NZ LYS A 59 -13.710 5.385 -5.513 1.00 0.00 N ATOM 0 H LYS A 59 -9.497 0.806 -1.552 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.477 1.363 -4.033 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.252 1.790 -1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.685 3.410 -1.874 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.726 1.949 -3.583 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.156 2.997 -2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.983 4.907 -3.391 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.611 3.852 -4.740 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.092 3.379 -4.999 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.416 4.534 -3.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.670 5.528 -5.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.382 6.260 -5.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.069 5.141 -6.294 1.00 0.00 H new ATOM 933 N GLN A 60 -8.289 3.709 -3.166 1.00 0.00 N ATOM 934 CA GLN A 60 -7.431 4.722 -3.778 1.00 0.00 C ATOM 935 C GLN A 60 -6.427 4.127 -4.775 1.00 0.00 C ATOM 936 O GLN A 60 -6.179 4.721 -5.823 1.00 0.00 O ATOM 937 CB GLN A 60 -6.680 5.508 -2.710 1.00 0.00 C ATOM 938 CG GLN A 60 -7.594 6.378 -1.836 1.00 0.00 C ATOM 939 CD GLN A 60 -8.331 7.482 -2.585 1.00 0.00 C ATOM 940 OE1 GLN A 60 -7.897 7.941 -3.643 1.00 0.00 O ATOM 941 NE2 GLN A 60 -9.462 7.916 -2.035 1.00 0.00 N ATOM 0 H GLN A 60 -8.188 3.608 -2.156 1.00 0.00 H new ATOM 0 HA GLN A 60 -8.092 5.388 -4.332 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.136 4.811 -2.072 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.938 6.144 -3.192 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -8.328 5.735 -1.350 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.995 6.831 -1.046 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.790 7.512 -1.158 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.001 8.653 -2.491 1.00 0.00 H new ATOM 950 N ILE A 61 -5.805 2.994 -4.444 1.00 0.00 N ATOM 951 CA ILE A 61 -4.804 2.361 -5.293 1.00 0.00 C ATOM 952 C ILE A 61 -5.465 1.772 -6.537 1.00 0.00 C ATOM 953 O ILE A 61 -5.178 2.224 -7.643 1.00 0.00 O ATOM 954 CB ILE A 61 -3.959 1.354 -4.502 1.00 0.00 C ATOM 955 CG1 ILE A 61 -3.142 2.169 -3.486 1.00 0.00 C ATOM 956 CG2 ILE A 61 -3.027 0.589 -5.456 1.00 0.00 C ATOM 957 CD1 ILE A 61 -2.282 1.306 -2.570 1.00 0.00 C ATOM 0 H ILE A 61 -5.985 2.491 -3.575 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.099 3.114 -5.644 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.585 0.619 -3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.500 2.867 -4.023 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.823 2.765 -2.878 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.430 -0.124 -4.887 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.623 0.055 -6.196 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.366 1.293 -5.962 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.732 1.945 -1.879 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.920 0.626 -2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.577 0.729 -3.169 1.00 0.00 H new ATOM 969 N GLU A 62 -6.362 0.796 -6.377 1.00 0.00 N ATOM 970 CA GLU A 62 -7.188 0.277 -7.448 1.00 0.00 C ATOM 971 C GLU A 62 -7.751 1.390 -8.339 1.00 0.00 C ATOM 972 O GLU A 62 -7.729 1.244 -9.558 1.00 0.00 O ATOM 973 CB GLU A 62 -8.311 -0.567 -6.826 1.00 0.00 C ATOM 974 CG GLU A 62 -8.318 -2.008 -7.328 1.00 0.00 C ATOM 975 CD GLU A 62 -9.478 -2.775 -6.707 1.00 0.00 C ATOM 976 OE1 GLU A 62 -10.620 -2.275 -6.813 1.00 0.00 O ATOM 977 OE2 GLU A 62 -9.202 -3.806 -6.058 1.00 0.00 O ATOM 0 H GLU A 62 -6.531 0.342 -5.479 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.575 -0.344 -8.101 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.201 -0.566 -5.742 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.273 -0.105 -7.050 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.403 -2.022 -8.415 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.375 -2.493 -7.076 1.00 0.00 H new ATOM 984 N ALA A 63 -8.216 2.512 -7.765 1.00 0.00 N ATOM 985 CA ALA A 63 -8.739 3.619 -8.567 1.00 0.00 C ATOM 986 C ALA A 63 -7.759 4.102 -9.642 1.00 0.00 C ATOM 987 O ALA A 63 -8.194 4.562 -10.694 1.00 0.00 O ATOM 988 CB ALA A 63 -9.136 4.791 -7.673 1.00 0.00 C ATOM 0 H ALA A 63 -8.239 2.671 -6.758 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.617 3.230 -9.082 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.522 5.604 -8.288 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.906 4.469 -6.972 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.264 5.138 -7.120 1.00 0.00 H new ATOM 994 N MET A 64 -6.448 4.022 -9.390 1.00 0.00 N ATOM 995 CA MET A 64 -5.444 4.326 -10.394 1.00 0.00 C ATOM 996 C MET A 64 -5.596 3.409 -11.612 1.00 0.00 C ATOM 997 O MET A 64 -5.447 3.856 -12.747 1.00 0.00 O ATOM 998 CB MET A 64 -4.052 4.148 -9.799 1.00 0.00 C ATOM 999 CG MET A 64 -3.756 5.044 -8.595 1.00 0.00 C ATOM 1000 SD MET A 64 -3.796 6.829 -8.920 1.00 0.00 S ATOM 1001 CE MET A 64 -2.140 7.275 -8.351 1.00 0.00 C ATOM 0 H MET A 64 -6.063 3.745 -8.487 1.00 0.00 H new ATOM 0 HA MET A 64 -5.581 5.359 -10.714 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.929 3.107 -9.500 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.312 4.346 -10.574 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.479 4.819 -7.811 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.771 4.785 -8.205 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.928 8.309 -8.622 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.086 7.166 -7.268 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.406 6.619 -8.819 1.00 0.00 H new ATOM 1011 N GLY A 65 -5.855 2.121 -11.365 1.00 0.00 N ATOM 1012 CA GLY A 65 -6.010 1.093 -12.387 1.00 0.00 C ATOM 1013 C GLY A 65 -5.309 -0.202 -11.979 1.00 0.00 C ATOM 1014 O GLY A 65 -5.579 -1.259 -12.544 1.00 0.00 O ATOM 0 H GLY A 65 -5.965 1.759 -10.418 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.070 0.899 -12.554 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.599 1.450 -13.331 1.00 0.00 H new ATOM 1018 N PHE A 66 -4.392 -0.125 -11.011 1.00 0.00 N ATOM 1019 CA PHE A 66 -3.547 -1.236 -10.606 1.00 0.00 C ATOM 1020 C PHE A 66 -4.322 -2.159 -9.665 1.00 0.00 C ATOM 1021 O PHE A 66 -4.620 -1.730 -8.550 1.00 0.00 O ATOM 1022 CB PHE A 66 -2.330 -0.661 -9.875 1.00 0.00 C ATOM 1023 CG PHE A 66 -1.563 0.365 -10.682 1.00 0.00 C ATOM 1024 CD1 PHE A 66 -0.952 0.001 -11.896 1.00 0.00 C ATOM 1025 CD2 PHE A 66 -1.583 1.715 -10.287 1.00 0.00 C ATOM 1026 CE1 PHE A 66 -0.414 0.991 -12.736 1.00 0.00 C ATOM 1027 CE2 PHE A 66 -1.060 2.706 -11.135 1.00 0.00 C ATOM 1028 CZ PHE A 66 -0.500 2.344 -12.369 1.00 0.00 C ATOM 0 H PHE A 66 -4.218 0.729 -10.481 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.233 -1.810 -11.478 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.660 -0.203 -8.942 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.658 -1.477 -9.609 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.896 -1.039 -12.182 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.001 1.990 -9.330 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.065 0.712 -13.663 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.089 3.744 -10.837 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.134 3.108 -13.039 1.00 0.00 H new ATOM 1038 N PRO A 67 -4.643 -3.406 -10.044 1.00 0.00 N ATOM 1039 CA PRO A 67 -5.244 -4.333 -9.103 1.00 0.00 C ATOM 1040 C PRO A 67 -4.247 -4.599 -7.972 1.00 0.00 C ATOM 1041 O PRO A 67 -3.034 -4.515 -8.183 1.00 0.00 O ATOM 1042 CB PRO A 67 -5.568 -5.592 -9.911 1.00 0.00 C ATOM 1043 CG PRO A 67 -4.533 -5.568 -11.033 1.00 0.00 C ATOM 1044 CD PRO A 67 -4.297 -4.078 -11.288 1.00 0.00 C ATOM 0 HA PRO A 67 -6.153 -3.952 -8.637 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.481 -6.493 -9.303 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.585 -5.568 -10.302 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.613 -6.073 -10.738 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -4.901 -6.072 -11.926 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.259 -3.887 -11.561 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.914 -3.719 -12.112 1.00 0.00 H new ATOM 1052 N ALA A 68 -4.752 -4.874 -6.765 1.00 0.00 N ATOM 1053 CA ALA A 68 -3.908 -5.172 -5.620 1.00 0.00 C ATOM 1054 C ALA A 68 -4.559 -6.211 -4.716 1.00 0.00 C ATOM 1055 O ALA A 68 -5.747 -6.111 -4.415 1.00 0.00 O ATOM 1056 CB ALA A 68 -3.619 -3.908 -4.819 1.00 0.00 C ATOM 0 H ALA A 68 -5.751 -4.895 -6.562 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.970 -5.576 -6.000 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.986 -4.154 -3.967 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.108 -3.184 -5.454 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.556 -3.481 -4.463 1.00 0.00 H new ATOM 1062 N PHE A 69 -3.773 -7.176 -4.235 1.00 0.00 N ATOM 1063 CA PHE A 69 -4.242 -8.231 -3.357 1.00 0.00 C ATOM 1064 C PHE A 69 -3.711 -7.961 -1.959 1.00 0.00 C ATOM 1065 O PHE A 69 -2.773 -8.620 -1.511 1.00 0.00 O ATOM 1066 CB PHE A 69 -3.805 -9.588 -3.899 1.00 0.00 C ATOM 1067 CG PHE A 69 -4.691 -10.135 -4.997 1.00 0.00 C ATOM 1068 CD1 PHE A 69 -5.917 -10.736 -4.660 1.00 0.00 C ATOM 1069 CD2 PHE A 69 -4.294 -10.057 -6.346 1.00 0.00 C ATOM 1070 CE1 PHE A 69 -6.726 -11.300 -5.662 1.00 0.00 C ATOM 1071 CE2 PHE A 69 -5.096 -10.635 -7.345 1.00 0.00 C ATOM 1072 CZ PHE A 69 -6.306 -11.266 -7.003 1.00 0.00 C ATOM 0 H PHE A 69 -2.779 -7.241 -4.452 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.331 -8.248 -3.311 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.787 -9.504 -4.278 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.781 -10.304 -3.077 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.238 -10.764 -3.629 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.376 -9.554 -6.612 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.669 -11.759 -5.402 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -4.783 -10.595 -8.378 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.912 -11.724 -7.771 1.00 0.00 H new ATOM 1082 N VAL A 70 -4.317 -6.977 -1.292 1.00 0.00 N ATOM 1083 CA VAL A 70 -4.099 -6.659 0.112 1.00 0.00 C ATOM 1084 C VAL A 70 -4.521 -7.838 0.996 1.00 0.00 C ATOM 1085 O VAL A 70 -5.712 -8.063 1.196 1.00 0.00 O ATOM 1086 CB VAL A 70 -4.729 -5.308 0.476 1.00 0.00 C ATOM 1087 CG1 VAL A 70 -6.176 -5.163 0.028 1.00 0.00 C ATOM 1088 CG2 VAL A 70 -4.588 -5.039 1.973 1.00 0.00 C ATOM 0 H VAL A 70 -4.997 -6.360 -1.735 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.035 -6.523 0.304 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.173 -4.553 -0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.551 -4.182 0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.233 -5.264 -1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.782 -5.938 0.497 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.040 -4.077 2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.091 -5.827 2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.532 -5.021 2.242 1.00 0.00 H new ATOM 1098 N LYS A 71 -3.560 -8.616 1.511 1.00 0.00 N ATOM 1099 CA LYS A 71 -3.861 -9.769 2.346 1.00 0.00 C ATOM 1100 C LYS A 71 -2.707 -10.113 3.292 1.00 0.00 C ATOM 1101 O LYS A 71 -2.219 -11.243 3.326 1.00 0.00 O ATOM 1102 CB LYS A 71 -4.329 -10.938 1.479 1.00 0.00 C ATOM 1103 CG LYS A 71 -3.243 -11.382 0.513 1.00 0.00 C ATOM 1104 CD LYS A 71 -3.799 -12.390 -0.502 1.00 0.00 C ATOM 1105 CE LYS A 71 -2.739 -13.409 -0.938 1.00 0.00 C ATOM 1106 NZ LYS A 71 -2.485 -14.417 0.115 1.00 0.00 N ATOM 0 H LYS A 71 -2.564 -8.460 1.358 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.690 -9.520 3.009 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.615 -11.774 2.117 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.218 -10.645 0.920 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.839 -10.516 -0.011 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.419 -11.832 1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.648 -12.915 -0.064 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.171 -11.856 -1.377 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.068 -13.909 -1.849 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.811 -12.890 -1.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.500 -14.746 0.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.648 -13.991 1.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.128 -15.224 -0.014 1.00 0.00 H new ATOM 1120 N LYS A 72 -2.282 -9.142 4.097 1.00 0.00 N ATOM 1121 CA LYS A 72 -1.237 -9.341 5.085 1.00 0.00 C ATOM 1122 C LYS A 72 -1.376 -8.266 6.149 1.00 0.00 C ATOM 1123 O LYS A 72 -1.820 -7.167 5.836 1.00 0.00 O ATOM 1124 CB LYS A 72 0.137 -9.240 4.413 1.00 0.00 C ATOM 1125 CG LYS A 72 0.932 -10.548 4.417 1.00 0.00 C ATOM 1126 CD LYS A 72 1.430 -10.875 5.833 1.00 0.00 C ATOM 1127 CE LYS A 72 2.240 -12.177 5.883 1.00 0.00 C ATOM 1128 NZ LYS A 72 3.582 -12.029 5.287 1.00 0.00 N ATOM 0 H LYS A 72 -2.657 -8.194 4.078 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.329 -10.328 5.538 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.002 -8.912 3.382 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.721 -8.471 4.918 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.306 -11.361 4.049 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.780 -10.466 3.737 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.046 -10.053 6.197 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.576 -10.956 6.506 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.339 -12.500 6.919 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.696 -12.961 5.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.114 -12.915 5.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.490 -11.813 4.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.089 -11.255 5.761 1.00 0.00 H new ATOM 1142 N ILE A 73 -0.985 -8.589 7.378 1.00 0.00 N ATOM 1143 CA ILE A 73 -0.949 -7.677 8.504 1.00 0.00 C ATOM 1144 C ILE A 73 0.401 -7.938 9.185 1.00 0.00 C ATOM 1145 O ILE A 73 0.479 -8.702 10.143 1.00 0.00 O ATOM 1146 CB ILE A 73 -2.190 -7.945 9.397 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -3.489 -7.480 8.698 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -2.139 -7.251 10.767 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -4.248 -8.614 8.000 1.00 0.00 C ATOM 0 H ILE A 73 -0.674 -9.530 7.620 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.009 -6.621 8.241 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.182 -9.023 9.555 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.143 -7.016 9.436 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.242 -6.713 7.964 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.042 -7.489 11.329 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.266 -7.599 11.319 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.073 -6.172 10.626 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.148 -8.215 7.532 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.611 -9.063 7.238 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.526 -9.371 8.733 1.00 0.00 H new ATOM 1161 N GLU A 74 1.483 -7.349 8.661 1.00 0.00 N ATOM 1162 CA GLU A 74 2.770 -7.366 9.349 1.00 0.00 C ATOM 1163 C GLU A 74 2.694 -6.280 10.433 1.00 0.00 C ATOM 1164 O GLU A 74 2.997 -5.115 10.182 1.00 0.00 O ATOM 1165 CB GLU A 74 3.950 -7.137 8.372 1.00 0.00 C ATOM 1166 CG GLU A 74 4.926 -8.315 8.204 1.00 0.00 C ATOM 1167 CD GLU A 74 4.705 -9.119 6.935 1.00 0.00 C ATOM 1168 OE1 GLU A 74 4.870 -8.548 5.833 1.00 0.00 O ATOM 1169 OE2 GLU A 74 4.410 -10.324 7.060 1.00 0.00 O ATOM 0 H GLU A 74 1.489 -6.858 7.767 1.00 0.00 H new ATOM 0 HA GLU A 74 2.961 -8.342 9.796 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.542 -6.887 7.393 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.515 -6.269 8.713 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.947 -7.932 8.207 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.832 -8.978 9.064 1.00 0.00 H new ATOM 1176 N GLY A 75 2.245 -6.639 11.633 1.00 0.00 N ATOM 1177 CA GLY A 75 2.166 -5.717 12.754 1.00 0.00 C ATOM 1178 C GLY A 75 1.196 -6.268 13.789 1.00 0.00 C ATOM 1179 O GLY A 75 0.809 -7.432 13.690 1.00 0.00 O ATOM 0 H GLY A 75 1.925 -7.582 11.852 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.152 -5.581 13.198 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.833 -4.737 12.412 1.00 0.00 H new ATOM 1183 N ARG A 76 0.789 -5.406 14.726 1.00 0.00 N ATOM 1184 CA ARG A 76 -0.031 -5.733 15.886 1.00 0.00 C ATOM 1185 C ARG A 76 0.848 -6.363 16.973 1.00 0.00 C ATOM 1186 O ARG A 76 0.278 -7.044 17.852 1.00 0.00 O ATOM 1187 CB ARG A 76 -1.245 -6.590 15.487 1.00 0.00 C ATOM 1188 CG ARG A 76 -2.408 -6.471 16.479 1.00 0.00 C ATOM 1189 CD ARG A 76 -3.669 -7.079 15.860 1.00 0.00 C ATOM 1190 NE ARG A 76 -4.817 -6.934 16.766 1.00 0.00 N ATOM 1191 CZ ARG A 76 -6.105 -6.970 16.389 1.00 0.00 C ATOM 1192 NH1 ARG A 76 -6.421 -7.250 15.119 1.00 0.00 N ATOM 1193 NH2 ARG A 76 -7.070 -6.723 17.281 1.00 0.00 N ATOM 1194 OXT ARG A 76 2.073 -6.120 16.918 1.00 0.00 O ATOM 0 H ARG A 76 1.036 -4.417 14.690 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.455 -4.823 16.310 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.586 -6.290 14.496 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.939 -7.634 15.416 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.162 -6.985 17.408 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.581 -5.424 16.730 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.885 -6.590 14.910 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.501 -8.134 15.644 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.620 -6.795 17.757 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.684 -7.436 14.439 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.399 -7.278 14.831 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.828 -6.507 18.248 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.049 -6.750 16.994 1.00 0.00 H new TER 1208 ARG A 76 HETATM 1209 CU CU1 A 77 5.286 2.340 -14.941 1.00 0.00 CU