USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 410 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 14 MET CE :methyl 176:sc= -0.267 (180deg=-0.301) USER MOD Set 1.2: A 34 HIS : no HD1:sc= -0.125 X(o=-0.39,f=-0.3) USER MOD Set 2.1: A 21 LYS NZ :NH3+ 172:sc= 0.316 (180deg=0.265) USER MOD Set 2.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 4 LYS NZ :NH3+ -115:sc= 0.096 (180deg=0) USER MOD Set 3.2: A 63 SER OG : rot 180:sc= -0.126 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot -38:sc= -1.04 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.188 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.574 USER MOD Single : A 29 SER OG : rot 90:sc= 0.0583 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.066 K(o=-0.066,f=-0.91) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 55 THR OG1 : rot -160:sc= -1.93! USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 4 5.460 4.603 9.714 1.00 0.00 N ATOM 34 CA LYS A 4 5.236 4.286 8.314 1.00 0.00 C ATOM 35 C LYS A 4 5.984 5.295 7.440 1.00 0.00 C ATOM 36 O LYS A 4 5.524 5.642 6.354 1.00 0.00 O ATOM 37 CB LYS A 4 3.737 4.206 8.015 1.00 0.00 C ATOM 38 CG LYS A 4 3.323 2.776 7.664 1.00 0.00 C ATOM 39 CD LYS A 4 1.871 2.511 8.065 1.00 0.00 C ATOM 40 CE LYS A 4 1.606 1.011 8.206 1.00 0.00 C ATOM 41 NZ LYS A 4 1.695 0.599 9.625 1.00 0.00 N ATOM 0 HA LYS A 4 5.638 3.300 8.079 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.171 4.550 8.881 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.491 4.873 7.188 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.444 2.611 6.593 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.979 2.069 8.172 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.653 3.013 9.008 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.200 2.934 7.317 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.618 0.772 7.813 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.329 0.451 7.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.497 -0.051 9.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.835 1.439 10.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.815 0.119 9.903 1.00 0.00 H new ATOM 51 N ILE A 5 7.125 5.737 7.948 1.00 0.00 N ATOM 52 CA ILE A 5 7.941 6.700 7.228 1.00 0.00 C ATOM 53 C ILE A 5 8.348 6.107 5.877 1.00 0.00 C ATOM 54 O ILE A 5 8.070 6.691 4.830 1.00 0.00 O ATOM 55 CB ILE A 5 9.127 7.145 8.086 1.00 0.00 C ATOM 56 CG1 ILE A 5 9.909 8.268 7.401 1.00 0.00 C ATOM 57 CG2 ILE A 5 10.024 5.957 8.441 1.00 0.00 C ATOM 58 CD1 ILE A 5 8.981 9.418 7.003 1.00 0.00 C ATOM 0 H ILE A 5 7.504 5.446 8.849 1.00 0.00 H new ATOM 0 HA ILE A 5 7.370 7.605 7.021 1.00 0.00 H new ATOM 0 HB ILE A 5 8.739 7.547 9.022 1.00 0.00 H new ATOM 0 HG12 ILE A 5 10.685 8.637 8.072 1.00 0.00 H new ATOM 0 HG13 ILE A 5 10.412 7.879 6.516 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.859 6.301 9.051 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.447 5.219 8.999 1.00 0.00 H new ATOM 0 HG23 ILE A 5 10.406 5.503 7.526 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.562 10.203 6.518 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.221 9.050 6.313 1.00 0.00 H new ATOM 0 HD13 ILE A 5 8.498 9.821 7.893 1.00 0.00 H new ATOM 69 N GLY A 6 9.000 4.956 5.944 1.00 0.00 N ATOM 70 CA GLY A 6 9.447 4.278 4.739 1.00 0.00 C ATOM 71 C GLY A 6 8.264 3.687 3.971 1.00 0.00 C ATOM 72 O GLY A 6 8.048 4.017 2.806 1.00 0.00 O ATOM 0 H GLY A 6 9.230 4.475 6.814 1.00 0.00 H new ATOM 0 HA2 GLY A 6 9.985 4.979 4.101 1.00 0.00 H new ATOM 0 HA3 GLY A 6 10.147 3.485 5.002 1.00 0.00 H new ATOM 76 N LEU A 7 7.528 2.823 4.654 1.00 0.00 N ATOM 77 CA LEU A 7 6.372 2.182 4.051 1.00 0.00 C ATOM 78 C LEU A 7 5.581 3.218 3.249 1.00 0.00 C ATOM 79 O LEU A 7 5.075 2.917 2.169 1.00 0.00 O ATOM 80 CB LEU A 7 5.541 1.464 5.116 1.00 0.00 C ATOM 81 CG LEU A 7 5.444 -0.057 4.978 1.00 0.00 C ATOM 82 CD1 LEU A 7 6.834 -0.690 4.896 1.00 0.00 C ATOM 83 CD2 LEU A 7 4.606 -0.658 6.109 1.00 0.00 C ATOM 0 H LEU A 7 7.710 2.552 5.620 1.00 0.00 H new ATOM 0 HA LEU A 7 6.687 1.408 3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.963 1.694 6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.532 1.876 5.100 1.00 0.00 H new ATOM 0 HG LEU A 7 4.932 -0.283 4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.736 -1.771 4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.364 -0.294 4.030 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.394 -0.457 5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.553 -1.740 5.987 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.067 -0.423 7.068 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.600 -0.240 6.078 1.00 0.00 H new ATOM 94 N LYS A 8 5.500 4.416 3.808 1.00 0.00 N ATOM 95 CA LYS A 8 4.780 5.498 3.158 1.00 0.00 C ATOM 96 C LYS A 8 5.595 6.004 1.966 1.00 0.00 C ATOM 97 O LYS A 8 5.056 6.195 0.877 1.00 0.00 O ATOM 98 CB LYS A 8 4.426 6.590 4.170 1.00 0.00 C ATOM 99 CG LYS A 8 3.654 7.728 3.500 1.00 0.00 C ATOM 100 CD LYS A 8 4.546 8.956 3.306 1.00 0.00 C ATOM 101 CE LYS A 8 4.513 9.859 4.540 1.00 0.00 C ATOM 102 NZ LYS A 8 5.718 10.716 4.588 1.00 0.00 N ATOM 0 H LYS A 8 5.921 4.662 4.704 1.00 0.00 H new ATOM 0 HA LYS A 8 3.829 5.140 2.764 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.827 6.164 4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.337 6.981 4.623 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.273 7.395 2.535 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.790 7.994 4.109 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.570 8.638 3.111 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.214 9.516 2.432 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.618 10.481 4.519 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.457 9.250 5.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.679 11.323 5.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.568 10.118 4.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.755 11.311 3.736 1.00 0.00 H new ATOM 112 N VAL A 9 6.881 6.207 2.214 1.00 0.00 N ATOM 113 CA VAL A 9 7.776 6.688 1.175 1.00 0.00 C ATOM 114 C VAL A 9 7.597 5.833 -0.082 1.00 0.00 C ATOM 115 O VAL A 9 7.198 6.339 -1.129 1.00 0.00 O ATOM 116 CB VAL A 9 9.217 6.700 1.690 1.00 0.00 C ATOM 117 CG1 VAL A 9 10.214 6.621 0.531 1.00 0.00 C ATOM 118 CG2 VAL A 9 9.479 7.934 2.556 1.00 0.00 C ATOM 0 H VAL A 9 7.324 6.047 3.119 1.00 0.00 H new ATOM 0 HA VAL A 9 7.533 7.716 0.906 1.00 0.00 H new ATOM 0 HB VAL A 9 9.358 5.817 2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.231 6.631 0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.050 5.699 -0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 9 10.072 7.476 -0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.510 7.918 2.909 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.311 8.835 1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.803 7.929 3.411 1.00 0.00 H new ATOM 128 N LEU A 10 7.902 4.552 0.064 1.00 0.00 N ATOM 129 CA LEU A 10 7.780 3.622 -1.046 1.00 0.00 C ATOM 130 C LEU A 10 6.349 3.664 -1.586 1.00 0.00 C ATOM 131 O LEU A 10 6.140 3.809 -2.789 1.00 0.00 O ATOM 132 CB LEU A 10 8.238 2.224 -0.626 1.00 0.00 C ATOM 133 CG LEU A 10 9.601 1.777 -1.159 1.00 0.00 C ATOM 134 CD1 LEU A 10 10.732 2.266 -0.250 1.00 0.00 C ATOM 135 CD2 LEU A 10 9.642 0.261 -1.359 1.00 0.00 C ATOM 0 H LEU A 10 8.233 4.136 0.934 1.00 0.00 H new ATOM 0 HA LEU A 10 8.438 3.916 -1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 10 8.265 2.184 0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.488 1.504 -0.953 1.00 0.00 H new ATOM 0 HG LEU A 10 9.752 2.235 -2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 10 11.690 1.935 -0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.715 3.355 -0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 10 10.597 1.857 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.622 -0.030 -1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 10 9.459 -0.237 -0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.874 -0.032 -2.075 1.00 0.00 H new ATOM 146 N TYR A 11 5.401 3.535 -0.669 1.00 0.00 N ATOM 147 CA TYR A 11 3.996 3.556 -1.038 1.00 0.00 C ATOM 148 C TYR A 11 3.670 4.787 -1.886 1.00 0.00 C ATOM 149 O TYR A 11 3.192 4.661 -3.012 1.00 0.00 O ATOM 150 CB TYR A 11 3.216 3.635 0.276 1.00 0.00 C ATOM 151 CG TYR A 11 1.814 4.231 0.132 1.00 0.00 C ATOM 152 CD1 TYR A 11 1.139 4.126 -1.068 1.00 0.00 C ATOM 153 CD2 TYR A 11 1.223 4.872 1.202 1.00 0.00 C ATOM 154 CE1 TYR A 11 -0.181 4.686 -1.203 1.00 0.00 C ATOM 155 CE2 TYR A 11 -0.096 5.432 1.067 1.00 0.00 C ATOM 156 CZ TYR A 11 -0.733 5.312 -0.129 1.00 0.00 C ATOM 157 OH TYR A 11 -1.980 5.841 -0.257 1.00 0.00 O ATOM 0 H TYR A 11 5.579 3.416 0.328 1.00 0.00 H new ATOM 0 HA TYR A 11 3.740 2.673 -1.624 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.132 2.633 0.698 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.783 4.234 0.988 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.601 3.624 -1.905 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.750 4.953 2.141 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.720 4.611 -2.136 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.569 5.936 1.897 1.00 0.00 H new ATOM 0 HH TYR A 11 -2.079 6.232 -1.150 1.00 0.00 H new ATOM 166 N LYS A 12 3.942 5.950 -1.312 1.00 0.00 N ATOM 167 CA LYS A 12 3.684 7.203 -2.001 1.00 0.00 C ATOM 168 C LYS A 12 4.373 7.180 -3.367 1.00 0.00 C ATOM 169 O LYS A 12 3.877 7.769 -4.326 1.00 0.00 O ATOM 170 CB LYS A 12 4.093 8.390 -1.126 1.00 0.00 C ATOM 171 CG LYS A 12 4.074 9.694 -1.926 1.00 0.00 C ATOM 172 CD LYS A 12 5.377 9.878 -2.706 1.00 0.00 C ATOM 173 CE LYS A 12 5.829 11.339 -2.682 1.00 0.00 C ATOM 174 NZ LYS A 12 6.178 11.796 -4.045 1.00 0.00 N ATOM 0 H LYS A 12 4.338 6.051 -0.378 1.00 0.00 H new ATOM 0 HA LYS A 12 2.616 7.324 -2.184 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.415 8.471 -0.276 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.091 8.222 -0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.230 9.689 -2.616 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.928 10.537 -1.251 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.154 9.246 -2.276 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.236 9.554 -3.737 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.035 11.965 -2.274 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.691 11.448 -2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.483 12.790 -4.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.951 11.210 -4.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.346 11.710 -4.664 1.00 0.00 H new ATOM 184 N LEU A 13 5.506 6.495 -3.412 1.00 0.00 N ATOM 185 CA LEU A 13 6.268 6.388 -4.644 1.00 0.00 C ATOM 186 C LEU A 13 5.642 5.312 -5.534 1.00 0.00 C ATOM 187 O LEU A 13 5.780 5.354 -6.756 1.00 0.00 O ATOM 188 CB LEU A 13 7.748 6.149 -4.340 1.00 0.00 C ATOM 189 CG LEU A 13 8.741 7.015 -5.118 1.00 0.00 C ATOM 190 CD1 LEU A 13 8.555 6.841 -6.627 1.00 0.00 C ATOM 191 CD2 LEU A 13 8.639 8.482 -4.694 1.00 0.00 C ATOM 0 H LEU A 13 5.915 6.008 -2.614 1.00 0.00 H new ATOM 0 HA LEU A 13 6.228 7.325 -5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.911 6.313 -3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.975 5.102 -4.540 1.00 0.00 H new ATOM 0 HG LEU A 13 9.749 6.679 -4.876 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.273 7.467 -7.157 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.717 5.797 -6.896 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.543 7.135 -6.905 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.355 9.076 -5.262 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.630 8.847 -4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.858 8.569 -3.630 1.00 0.00 H new ATOM 202 N MET A 14 4.967 4.373 -4.887 1.00 0.00 N ATOM 203 CA MET A 14 4.319 3.288 -5.604 1.00 0.00 C ATOM 204 C MET A 14 3.042 3.772 -6.294 1.00 0.00 C ATOM 205 O MET A 14 2.888 3.613 -7.504 1.00 0.00 O ATOM 206 CB MET A 14 3.976 2.163 -4.626 1.00 0.00 C ATOM 207 CG MET A 14 4.893 0.956 -4.835 1.00 0.00 C ATOM 208 SD MET A 14 6.236 0.999 -3.661 1.00 0.00 S ATOM 209 CE MET A 14 7.463 1.865 -4.625 1.00 0.00 C ATOM 0 H MET A 14 4.855 4.341 -3.874 1.00 0.00 H new ATOM 0 HA MET A 14 5.005 2.921 -6.367 1.00 0.00 H new ATOM 0 HB2 MET A 14 4.072 2.524 -3.602 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.937 1.863 -4.762 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.325 0.033 -4.717 1.00 0.00 H new ATOM 0 HG3 MET A 14 5.287 0.960 -5.851 1.00 0.00 H new ATOM 0 HE1 MET A 14 8.348 2.041 -4.014 1.00 0.00 H new ATOM 0 HE2 MET A 14 7.735 1.264 -5.492 1.00 0.00 H new ATOM 0 HE3 MET A 14 7.056 2.820 -4.959 1.00 0.00 H new ATOM 217 N ASP A 15 2.160 4.353 -5.495 1.00 0.00 N ATOM 218 CA ASP A 15 0.901 4.862 -6.014 1.00 0.00 C ATOM 219 C ASP A 15 1.147 5.536 -7.365 1.00 0.00 C ATOM 220 O ASP A 15 1.535 6.701 -7.420 1.00 0.00 O ATOM 221 CB ASP A 15 0.296 5.902 -5.069 1.00 0.00 C ATOM 222 CG ASP A 15 -0.793 6.780 -5.687 1.00 0.00 C ATOM 223 OD1 ASP A 15 -1.841 6.208 -6.058 1.00 0.00 O ATOM 224 OD2 ASP A 15 -0.554 8.004 -5.776 1.00 0.00 O ATOM 0 H ASP A 15 2.292 4.483 -4.492 1.00 0.00 H new ATOM 0 HA ASP A 15 0.213 4.023 -6.114 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.121 5.386 -4.204 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.095 6.545 -4.701 1.00 0.00 H new ATOM 228 N VAL A 16 0.910 4.773 -8.422 1.00 0.00 N ATOM 229 CA VAL A 16 1.101 5.282 -9.770 1.00 0.00 C ATOM 230 C VAL A 16 -0.255 5.368 -10.475 1.00 0.00 C ATOM 231 O VAL A 16 -0.416 6.129 -11.427 1.00 0.00 O ATOM 232 CB VAL A 16 2.111 4.411 -10.520 1.00 0.00 C ATOM 233 CG1 VAL A 16 1.611 2.970 -10.639 1.00 0.00 C ATOM 234 CG2 VAL A 16 2.423 4.998 -11.898 1.00 0.00 C ATOM 0 H VAL A 16 0.588 3.807 -8.373 1.00 0.00 H new ATOM 0 HA VAL A 16 1.518 6.289 -9.743 1.00 0.00 H new ATOM 0 HB VAL A 16 3.036 4.398 -9.943 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.348 2.372 -11.176 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.462 2.553 -9.643 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.666 2.956 -11.183 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.143 4.360 -12.411 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.506 5.055 -12.485 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.842 5.997 -11.781 1.00 0.00 H new ATOM 244 N ASP A 17 -1.195 4.577 -9.979 1.00 0.00 N ATOM 245 CA ASP A 17 -2.531 4.554 -10.549 1.00 0.00 C ATOM 246 C ASP A 17 -2.941 5.976 -10.935 1.00 0.00 C ATOM 247 O ASP A 17 -2.886 6.345 -12.107 1.00 0.00 O ATOM 248 CB ASP A 17 -3.551 4.025 -9.539 1.00 0.00 C ATOM 249 CG ASP A 17 -5.015 4.196 -9.949 1.00 0.00 C ATOM 250 OD1 ASP A 17 -5.380 5.342 -10.289 1.00 0.00 O ATOM 251 OD2 ASP A 17 -5.737 3.176 -9.915 1.00 0.00 O ATOM 0 H ASP A 17 -1.058 3.947 -9.189 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.514 3.900 -11.421 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.358 2.966 -9.371 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.394 4.532 -8.587 1.00 0.00 H new ATOM 255 N GLY A 18 -3.342 6.736 -9.926 1.00 0.00 N ATOM 256 CA GLY A 18 -3.761 8.110 -10.145 1.00 0.00 C ATOM 257 C GLY A 18 -4.887 8.500 -9.186 1.00 0.00 C ATOM 258 O GLY A 18 -5.994 8.816 -9.618 1.00 0.00 O ATOM 0 H GLY A 18 -3.386 6.426 -8.955 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.912 8.779 -10.006 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.097 8.232 -11.175 1.00 0.00 H new ATOM 262 N ASP A 19 -4.565 8.464 -7.901 1.00 0.00 N ATOM 263 CA ASP A 19 -5.536 8.810 -6.877 1.00 0.00 C ATOM 264 C ASP A 19 -4.801 9.176 -5.586 1.00 0.00 C ATOM 265 O ASP A 19 -5.083 10.207 -4.978 1.00 0.00 O ATOM 266 CB ASP A 19 -6.462 7.629 -6.575 1.00 0.00 C ATOM 267 CG ASP A 19 -6.658 6.649 -7.733 1.00 0.00 C ATOM 268 OD1 ASP A 19 -5.781 5.773 -7.890 1.00 0.00 O ATOM 269 OD2 ASP A 19 -7.681 6.797 -8.435 1.00 0.00 O ATOM 0 H ASP A 19 -3.646 8.201 -7.546 1.00 0.00 H new ATOM 0 HA ASP A 19 -6.128 9.649 -7.243 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.063 7.083 -5.720 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.436 8.017 -6.278 1.00 0.00 H new ATOM 273 N GLY A 20 -3.873 8.310 -5.205 1.00 0.00 N ATOM 274 CA GLY A 20 -3.096 8.529 -3.998 1.00 0.00 C ATOM 275 C GLY A 20 -3.320 7.401 -2.989 1.00 0.00 C ATOM 276 O GLY A 20 -2.648 7.342 -1.959 1.00 0.00 O ATOM 0 H GLY A 20 -3.642 7.455 -5.712 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.037 8.592 -4.249 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.374 9.483 -3.550 1.00 0.00 H new ATOM 280 N LYS A 21 -4.266 6.534 -3.319 1.00 0.00 N ATOM 281 CA LYS A 21 -4.587 5.412 -2.454 1.00 0.00 C ATOM 282 C LYS A 21 -3.856 4.164 -2.954 1.00 0.00 C ATOM 283 O LYS A 21 -3.622 4.015 -4.152 1.00 0.00 O ATOM 284 CB LYS A 21 -6.103 5.235 -2.346 1.00 0.00 C ATOM 285 CG LYS A 21 -6.726 4.995 -3.723 1.00 0.00 C ATOM 286 CD LYS A 21 -7.837 6.009 -4.006 1.00 0.00 C ATOM 287 CE LYS A 21 -8.717 5.547 -5.169 1.00 0.00 C ATOM 288 NZ LYS A 21 -10.048 6.191 -5.099 1.00 0.00 N ATOM 0 H LYS A 21 -4.820 6.586 -4.174 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.239 5.601 -1.439 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.329 4.395 -1.689 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.545 6.122 -1.892 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.957 5.069 -4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.130 3.984 -3.772 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.448 6.143 -3.113 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.398 6.979 -4.240 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.237 5.793 -6.116 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.829 4.463 -5.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.584 5.975 -5.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.565 5.831 -4.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.931 7.221 -5.012 1.00 0.00 H new ATOM 298 N LEU A 22 -3.515 3.299 -2.010 1.00 0.00 N ATOM 299 CA LEU A 22 -2.816 2.069 -2.339 1.00 0.00 C ATOM 300 C LEU A 22 -3.831 0.933 -2.485 1.00 0.00 C ATOM 301 O LEU A 22 -4.178 0.276 -1.506 1.00 0.00 O ATOM 302 CB LEU A 22 -1.719 1.784 -1.311 1.00 0.00 C ATOM 303 CG LEU A 22 -0.503 1.010 -1.824 1.00 0.00 C ATOM 304 CD1 LEU A 22 0.090 1.681 -3.064 1.00 0.00 C ATOM 305 CD2 LEU A 22 0.538 0.829 -0.717 1.00 0.00 C ATOM 0 H LEU A 22 -3.710 3.426 -1.017 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.306 2.167 -3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.374 2.735 -0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.159 1.225 -0.485 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.832 0.015 -2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.953 1.111 -3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.661 1.715 -3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.401 2.696 -2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.392 0.276 -1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.869 1.806 -0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.096 0.276 0.111 1.00 0.00 H new ATOM 316 N THR A 23 -4.278 0.738 -3.717 1.00 0.00 N ATOM 317 CA THR A 23 -5.247 -0.307 -4.005 1.00 0.00 C ATOM 318 C THR A 23 -4.534 -1.597 -4.415 1.00 0.00 C ATOM 319 O THR A 23 -3.366 -1.570 -4.799 1.00 0.00 O ATOM 320 CB THR A 23 -6.209 0.221 -5.071 1.00 0.00 C ATOM 321 OG1 THR A 23 -5.589 -0.135 -6.304 1.00 0.00 O ATOM 322 CG2 THR A 23 -6.261 1.750 -5.108 1.00 0.00 C ATOM 0 H THR A 23 -3.987 1.285 -4.527 1.00 0.00 H new ATOM 0 HA THR A 23 -5.829 -0.562 -3.119 1.00 0.00 H new ATOM 0 HB THR A 23 -7.209 -0.171 -4.884 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.147 0.168 -7.050 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.958 2.072 -5.882 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.593 2.126 -4.141 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.268 2.143 -5.328 1.00 0.00 H new ATOM 330 N LYS A 24 -5.267 -2.696 -4.318 1.00 0.00 N ATOM 331 CA LYS A 24 -4.719 -3.994 -4.674 1.00 0.00 C ATOM 332 C LYS A 24 -4.273 -3.971 -6.138 1.00 0.00 C ATOM 333 O LYS A 24 -3.080 -4.049 -6.428 1.00 0.00 O ATOM 334 CB LYS A 24 -5.722 -5.105 -4.355 1.00 0.00 C ATOM 335 CG LYS A 24 -5.003 -6.420 -4.047 1.00 0.00 C ATOM 336 CD LYS A 24 -5.699 -7.598 -4.733 1.00 0.00 C ATOM 337 CE LYS A 24 -4.706 -8.724 -5.029 1.00 0.00 C ATOM 338 NZ LYS A 24 -5.308 -10.040 -4.721 1.00 0.00 N ATOM 0 H LYS A 24 -6.235 -2.715 -3.998 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.835 -4.211 -4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.335 -4.813 -3.502 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.397 -5.244 -5.200 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.967 -6.360 -4.382 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.981 -6.583 -2.969 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.500 -7.973 -4.096 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.161 -7.262 -5.661 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.410 -8.689 -6.077 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.801 -8.584 -4.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.621 -10.793 -4.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.569 -10.076 -3.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.158 -10.178 -5.304 1.00 0.00 H new ATOM 348 N GLU A 25 -5.255 -3.863 -7.021 1.00 0.00 N ATOM 349 CA GLU A 25 -4.979 -3.828 -8.447 1.00 0.00 C ATOM 350 C GLU A 25 -3.733 -2.985 -8.726 1.00 0.00 C ATOM 351 O GLU A 25 -2.794 -3.452 -9.369 1.00 0.00 O ATOM 352 CB GLU A 25 -6.184 -3.299 -9.226 1.00 0.00 C ATOM 353 CG GLU A 25 -6.967 -4.445 -9.870 1.00 0.00 C ATOM 354 CD GLU A 25 -8.208 -4.794 -9.045 1.00 0.00 C ATOM 355 OE1 GLU A 25 -9.116 -3.936 -8.997 1.00 0.00 O ATOM 356 OE2 GLU A 25 -8.219 -5.909 -8.481 1.00 0.00 O ATOM 0 H GLU A 25 -6.243 -3.799 -6.776 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.788 -4.846 -8.785 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.837 -2.739 -8.557 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.847 -2.606 -9.997 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.265 -4.164 -10.880 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.327 -5.323 -9.959 1.00 0.00 H new ATOM 361 N GLU A 26 -3.764 -1.757 -8.228 1.00 0.00 N ATOM 362 CA GLU A 26 -2.649 -0.845 -8.415 1.00 0.00 C ATOM 363 C GLU A 26 -1.390 -1.402 -7.748 1.00 0.00 C ATOM 364 O GLU A 26 -0.283 -1.220 -8.255 1.00 0.00 O ATOM 365 CB GLU A 26 -2.984 0.548 -7.878 1.00 0.00 C ATOM 366 CG GLU A 26 -1.823 1.518 -8.105 1.00 0.00 C ATOM 367 CD GLU A 26 -2.046 2.829 -7.349 1.00 0.00 C ATOM 368 OE1 GLU A 26 -2.970 2.847 -6.507 1.00 0.00 O ATOM 369 OE2 GLU A 26 -1.289 3.782 -7.630 1.00 0.00 O ATOM 0 H GLU A 26 -4.544 -1.373 -7.695 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.458 -0.750 -9.484 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.880 0.926 -8.371 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.208 0.487 -6.813 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.891 1.058 -7.776 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.718 1.722 -9.171 1.00 0.00 H new ATOM 374 N VAL A 27 -1.600 -2.068 -6.623 1.00 0.00 N ATOM 375 CA VAL A 27 -0.495 -2.652 -5.881 1.00 0.00 C ATOM 376 C VAL A 27 0.117 -3.790 -6.700 1.00 0.00 C ATOM 377 O VAL A 27 1.226 -3.661 -7.217 1.00 0.00 O ATOM 378 CB VAL A 27 -0.972 -3.100 -4.498 1.00 0.00 C ATOM 379 CG1 VAL A 27 -0.282 -4.398 -4.075 1.00 0.00 C ATOM 380 CG2 VAL A 27 -0.754 -1.999 -3.460 1.00 0.00 C ATOM 0 H VAL A 27 -2.519 -2.217 -6.206 1.00 0.00 H new ATOM 0 HA VAL A 27 0.288 -1.912 -5.716 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.043 -3.294 -4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.638 -4.695 -3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.511 -5.183 -4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.796 -4.242 -4.039 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.102 -2.343 -2.486 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.308 -1.758 -3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.312 -1.109 -3.751 1.00 0.00 H new ATOM 390 N THR A 28 -0.631 -4.879 -6.793 1.00 0.00 N ATOM 391 CA THR A 28 -0.176 -6.039 -7.540 1.00 0.00 C ATOM 392 C THR A 28 0.420 -5.609 -8.882 1.00 0.00 C ATOM 393 O THR A 28 1.341 -6.247 -9.390 1.00 0.00 O ATOM 394 CB THR A 28 -1.355 -7.004 -7.680 1.00 0.00 C ATOM 395 OG1 THR A 28 -1.394 -7.688 -6.430 1.00 0.00 O ATOM 396 CG2 THR A 28 -1.087 -8.112 -8.702 1.00 0.00 C ATOM 0 H THR A 28 -1.550 -4.983 -6.363 1.00 0.00 H new ATOM 0 HA THR A 28 0.626 -6.558 -7.015 1.00 0.00 H new ATOM 0 HB THR A 28 -2.246 -6.448 -7.972 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.132 -8.333 -6.433 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.955 -8.769 -8.763 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.899 -7.668 -9.679 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.216 -8.689 -8.393 1.00 0.00 H new ATOM 404 N SER A 29 -0.131 -4.530 -9.419 1.00 0.00 N ATOM 405 CA SER A 29 0.335 -4.007 -10.692 1.00 0.00 C ATOM 406 C SER A 29 1.788 -3.545 -10.568 1.00 0.00 C ATOM 407 O SER A 29 2.648 -3.977 -11.335 1.00 0.00 O ATOM 408 CB SER A 29 -0.549 -2.853 -11.170 1.00 0.00 C ATOM 409 OG SER A 29 -1.547 -3.290 -12.088 1.00 0.00 O ATOM 0 H SER A 29 -0.896 -4.004 -8.996 1.00 0.00 H new ATOM 0 HA SER A 29 0.276 -4.806 -11.432 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.028 -2.383 -10.311 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.072 -2.093 -11.644 1.00 0.00 H new ATOM 0 HG SER A 29 -2.357 -3.541 -11.596 1.00 0.00 H new ATOM 414 N PHE A 30 2.019 -2.674 -9.597 1.00 0.00 N ATOM 415 CA PHE A 30 3.353 -2.150 -9.363 1.00 0.00 C ATOM 416 C PHE A 30 4.205 -3.148 -8.577 1.00 0.00 C ATOM 417 O PHE A 30 5.417 -3.226 -8.773 1.00 0.00 O ATOM 418 CB PHE A 30 3.193 -0.872 -8.536 1.00 0.00 C ATOM 419 CG PHE A 30 4.176 0.239 -8.910 1.00 0.00 C ATOM 420 CD1 PHE A 30 3.895 1.076 -9.945 1.00 0.00 C ATOM 421 CD2 PHE A 30 5.332 0.389 -8.209 1.00 0.00 C ATOM 422 CE1 PHE A 30 4.807 2.107 -10.292 1.00 0.00 C ATOM 423 CE2 PHE A 30 6.244 1.421 -8.556 1.00 0.00 C ATOM 424 CZ PHE A 30 5.963 2.257 -9.590 1.00 0.00 C ATOM 0 H PHE A 30 1.304 -2.318 -8.963 1.00 0.00 H new ATOM 0 HA PHE A 30 3.850 -1.960 -10.314 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.176 -0.499 -8.656 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.320 -1.116 -7.481 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.978 0.956 -10.503 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.556 -0.277 -7.389 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.583 2.772 -11.113 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.161 1.541 -7.998 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.657 3.041 -9.855 1.00 0.00 H new ATOM 433 N PHE A 31 3.538 -3.888 -7.704 1.00 0.00 N ATOM 434 CA PHE A 31 4.218 -4.879 -6.887 1.00 0.00 C ATOM 435 C PHE A 31 4.494 -6.153 -7.688 1.00 0.00 C ATOM 436 O PHE A 31 5.338 -6.961 -7.304 1.00 0.00 O ATOM 437 CB PHE A 31 3.286 -5.215 -5.722 1.00 0.00 C ATOM 438 CG PHE A 31 3.408 -4.261 -4.532 1.00 0.00 C ATOM 439 CD1 PHE A 31 2.658 -3.127 -4.491 1.00 0.00 C ATOM 440 CD2 PHE A 31 4.265 -4.547 -3.516 1.00 0.00 C ATOM 441 CE1 PHE A 31 2.771 -2.241 -3.387 1.00 0.00 C ATOM 442 CE2 PHE A 31 4.378 -3.662 -2.412 1.00 0.00 C ATOM 443 CZ PHE A 31 3.629 -2.527 -2.370 1.00 0.00 C ATOM 0 H PHE A 31 2.533 -3.821 -7.544 1.00 0.00 H new ATOM 0 HA PHE A 31 5.174 -4.484 -6.542 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.256 -5.204 -6.079 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.495 -6.230 -5.384 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.977 -2.900 -5.298 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.860 -5.448 -3.549 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.176 -1.340 -3.354 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.059 -3.890 -1.605 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.715 -1.853 -1.530 1.00 0.00 H new ATOM 452 N LYS A 32 3.767 -6.293 -8.787 1.00 0.00 N ATOM 453 CA LYS A 32 3.923 -7.455 -9.645 1.00 0.00 C ATOM 454 C LYS A 32 5.410 -7.789 -9.779 1.00 0.00 C ATOM 455 O LYS A 32 5.774 -8.946 -9.980 1.00 0.00 O ATOM 456 CB LYS A 32 3.220 -7.229 -10.985 1.00 0.00 C ATOM 457 CG LYS A 32 2.098 -8.248 -11.195 1.00 0.00 C ATOM 458 CD LYS A 32 1.226 -7.865 -12.392 1.00 0.00 C ATOM 459 CE LYS A 32 1.001 -9.066 -13.313 1.00 0.00 C ATOM 460 NZ LYS A 32 2.069 -9.142 -14.334 1.00 0.00 N ATOM 0 H LYS A 32 3.068 -5.621 -9.103 1.00 0.00 H new ATOM 0 HA LYS A 32 3.440 -8.325 -9.200 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.810 -6.220 -11.019 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.943 -7.307 -11.797 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.526 -9.238 -11.354 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.483 -8.307 -10.297 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.266 -7.487 -12.041 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.702 -7.058 -12.950 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.985 -9.984 -12.726 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.029 -8.982 -13.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.902 -9.962 -14.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.066 -8.273 -14.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.991 -9.244 -13.865 1.00 0.00 H new ATOM 470 N LYS A 33 6.229 -6.754 -9.661 1.00 0.00 N ATOM 471 CA LYS A 33 7.668 -6.923 -9.767 1.00 0.00 C ATOM 472 C LYS A 33 8.243 -7.236 -8.384 1.00 0.00 C ATOM 473 O LYS A 33 9.079 -8.127 -8.242 1.00 0.00 O ATOM 474 CB LYS A 33 8.304 -5.702 -10.435 1.00 0.00 C ATOM 475 CG LYS A 33 9.653 -6.061 -11.062 1.00 0.00 C ATOM 476 CD LYS A 33 10.470 -4.802 -11.361 1.00 0.00 C ATOM 477 CE LYS A 33 11.570 -5.093 -12.383 1.00 0.00 C ATOM 478 NZ LYS A 33 12.892 -4.695 -11.849 1.00 0.00 N ATOM 0 H LYS A 33 5.923 -5.796 -9.493 1.00 0.00 H new ATOM 0 HA LYS A 33 7.905 -7.769 -10.411 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.635 -5.313 -11.202 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.440 -4.910 -9.699 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.211 -6.709 -10.387 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.493 -6.622 -11.983 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.813 -4.020 -11.741 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.915 -4.425 -10.440 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.575 -6.155 -12.628 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.367 -4.553 -13.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.628 -4.899 -12.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.889 -3.677 -11.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.090 -5.229 -10.979 1.00 0.00 H new ATOM 488 N HIS A 34 7.772 -6.485 -7.399 1.00 0.00 N ATOM 489 CA HIS A 34 8.229 -6.671 -6.032 1.00 0.00 C ATOM 490 C HIS A 34 7.757 -8.031 -5.514 1.00 0.00 C ATOM 491 O HIS A 34 7.934 -9.049 -6.181 1.00 0.00 O ATOM 492 CB HIS A 34 7.777 -5.509 -5.145 1.00 0.00 C ATOM 493 CG HIS A 34 8.192 -4.149 -5.656 1.00 0.00 C ATOM 494 ND1 HIS A 34 7.629 -2.972 -5.195 1.00 0.00 N ATOM 495 CD2 HIS A 34 9.118 -3.793 -6.592 1.00 0.00 C ATOM 496 CE1 HIS A 34 8.199 -1.959 -5.831 1.00 0.00 C ATOM 497 NE2 HIS A 34 9.121 -2.470 -6.697 1.00 0.00 N ATOM 0 H HIS A 34 7.079 -5.747 -7.520 1.00 0.00 H new ATOM 0 HA HIS A 34 9.319 -6.669 -6.005 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.691 -5.536 -5.054 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.184 -5.650 -4.144 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.743 -4.472 -7.153 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.973 -0.912 -5.689 1.00 0.00 H new ATOM 0 HE2 HIS A 34 9.715 -1.925 -7.322 1.00 0.00 H new ATOM 504 N GLY A 35 7.165 -8.003 -4.329 1.00 0.00 N ATOM 505 CA GLY A 35 6.666 -9.221 -3.713 1.00 0.00 C ATOM 506 C GLY A 35 5.138 -9.270 -3.754 1.00 0.00 C ATOM 507 O GLY A 35 4.498 -9.632 -2.768 1.00 0.00 O ATOM 0 H GLY A 35 7.020 -7.156 -3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.075 -10.089 -4.231 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.008 -9.276 -2.679 1.00 0.00 H new ATOM 511 N ILE A 36 4.596 -8.899 -4.905 1.00 0.00 N ATOM 512 CA ILE A 36 3.155 -8.896 -5.088 1.00 0.00 C ATOM 513 C ILE A 36 2.548 -10.083 -4.338 1.00 0.00 C ATOM 514 O ILE A 36 1.431 -9.995 -3.830 1.00 0.00 O ATOM 515 CB ILE A 36 2.804 -8.865 -6.577 1.00 0.00 C ATOM 516 CG1 ILE A 36 1.313 -9.132 -6.794 1.00 0.00 C ATOM 517 CG2 ILE A 36 3.682 -9.836 -7.368 1.00 0.00 C ATOM 518 CD1 ILE A 36 0.994 -10.620 -6.634 1.00 0.00 C ATOM 0 H ILE A 36 5.130 -8.598 -5.720 1.00 0.00 H new ATOM 0 HA ILE A 36 2.719 -7.992 -4.662 1.00 0.00 H new ATOM 0 HB ILE A 36 3.010 -7.864 -6.956 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.728 -8.552 -6.080 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.021 -8.799 -7.790 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.412 -9.794 -8.423 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.729 -9.558 -7.250 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.532 -10.849 -6.995 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.072 -10.783 -6.793 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.562 -11.195 -7.366 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.264 -10.944 -5.629 1.00 0.00 H new ATOM 529 N GLU A 37 3.310 -11.166 -4.292 1.00 0.00 N ATOM 530 CA GLU A 37 2.861 -12.369 -3.612 1.00 0.00 C ATOM 531 C GLU A 37 2.722 -12.110 -2.111 1.00 0.00 C ATOM 532 O GLU A 37 1.611 -12.061 -1.586 1.00 0.00 O ATOM 533 CB GLU A 37 3.810 -13.538 -3.882 1.00 0.00 C ATOM 534 CG GLU A 37 3.341 -14.360 -5.084 1.00 0.00 C ATOM 535 CD GLU A 37 3.943 -15.766 -5.055 1.00 0.00 C ATOM 536 OE1 GLU A 37 5.140 -15.864 -4.711 1.00 0.00 O ATOM 537 OE2 GLU A 37 3.192 -16.712 -5.378 1.00 0.00 O ATOM 0 H GLU A 37 4.236 -11.235 -4.715 1.00 0.00 H new ATOM 0 HA GLU A 37 1.882 -12.641 -4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.815 -13.159 -4.066 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.866 -14.176 -3.000 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.253 -14.426 -5.082 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.628 -13.857 -6.007 1.00 0.00 H new ATOM 542 N LYS A 38 3.866 -11.951 -1.462 1.00 0.00 N ATOM 543 CA LYS A 38 3.886 -11.698 -0.031 1.00 0.00 C ATOM 544 C LYS A 38 3.078 -10.434 0.270 1.00 0.00 C ATOM 545 O LYS A 38 2.446 -10.333 1.320 1.00 0.00 O ATOM 546 CB LYS A 38 5.326 -11.645 0.483 1.00 0.00 C ATOM 547 CG LYS A 38 5.374 -11.151 1.931 1.00 0.00 C ATOM 548 CD LYS A 38 6.025 -12.191 2.844 1.00 0.00 C ATOM 549 CE LYS A 38 4.977 -12.898 3.705 1.00 0.00 C ATOM 550 NZ LYS A 38 4.745 -14.275 3.215 1.00 0.00 N ATOM 0 H LYS A 38 4.786 -11.992 -1.901 1.00 0.00 H new ATOM 0 HA LYS A 38 3.410 -12.517 0.508 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.776 -12.636 0.418 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.918 -10.984 -0.150 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.933 -10.217 1.982 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.364 -10.937 2.280 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.561 -12.925 2.241 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.761 -11.707 3.486 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.310 -12.926 4.743 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.043 -12.337 3.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.031 -14.740 3.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.407 -14.241 2.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.634 -14.813 3.257 1.00 0.00 H new ATOM 560 N VAL A 39 3.126 -9.501 -0.669 1.00 0.00 N ATOM 561 CA VAL A 39 2.407 -8.248 -0.517 1.00 0.00 C ATOM 562 C VAL A 39 0.906 -8.505 -0.668 1.00 0.00 C ATOM 563 O VAL A 39 0.096 -7.902 0.034 1.00 0.00 O ATOM 564 CB VAL A 39 2.939 -7.215 -1.512 1.00 0.00 C ATOM 565 CG1 VAL A 39 2.077 -5.951 -1.504 1.00 0.00 C ATOM 566 CG2 VAL A 39 4.404 -6.881 -1.224 1.00 0.00 C ATOM 0 H VAL A 39 3.652 -9.588 -1.539 1.00 0.00 H new ATOM 0 HA VAL A 39 2.568 -7.834 0.478 1.00 0.00 H new ATOM 0 HB VAL A 39 2.884 -7.651 -2.509 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.477 -5.233 -2.220 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.054 -6.207 -1.780 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.085 -5.511 -0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.758 -6.145 -1.945 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.493 -6.474 -0.217 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.006 -7.786 -1.304 1.00 0.00 H new ATOM 576 N ALA A 40 0.581 -9.401 -1.589 1.00 0.00 N ATOM 577 CA ALA A 40 -0.808 -9.745 -1.841 1.00 0.00 C ATOM 578 C ALA A 40 -1.443 -10.264 -0.549 1.00 0.00 C ATOM 579 O ALA A 40 -2.547 -9.858 -0.189 1.00 0.00 O ATOM 580 CB ALA A 40 -0.883 -10.767 -2.978 1.00 0.00 C ATOM 0 H ALA A 40 1.256 -9.899 -2.170 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.370 -8.865 -2.155 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.925 -11.025 -3.167 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.445 -10.340 -3.880 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.332 -11.665 -2.697 1.00 0.00 H new ATOM 586 N GLU A 41 -0.718 -11.153 0.114 1.00 0.00 N ATOM 587 CA GLU A 41 -1.196 -11.731 1.358 1.00 0.00 C ATOM 588 C GLU A 41 -1.321 -10.648 2.433 1.00 0.00 C ATOM 589 O GLU A 41 -2.366 -10.519 3.070 1.00 0.00 O ATOM 590 CB GLU A 41 -0.280 -12.863 1.825 1.00 0.00 C ATOM 591 CG GLU A 41 -0.839 -13.540 3.078 1.00 0.00 C ATOM 592 CD GLU A 41 -0.356 -14.989 3.181 1.00 0.00 C ATOM 593 OE1 GLU A 41 0.874 -15.168 3.312 1.00 0.00 O ATOM 594 OE2 GLU A 41 -1.227 -15.883 3.126 1.00 0.00 O ATOM 0 H GLU A 41 0.197 -11.487 -0.187 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.184 -12.157 1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.170 -13.599 1.028 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.714 -12.468 2.034 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.529 -12.986 3.964 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.928 -13.517 3.053 1.00 0.00 H new ATOM 599 N GLN A 42 -0.241 -9.899 2.601 1.00 0.00 N ATOM 600 CA GLN A 42 -0.217 -8.833 3.588 1.00 0.00 C ATOM 601 C GLN A 42 -1.267 -7.773 3.249 1.00 0.00 C ATOM 602 O GLN A 42 -1.928 -7.241 4.140 1.00 0.00 O ATOM 603 CB GLN A 42 1.177 -8.211 3.689 1.00 0.00 C ATOM 604 CG GLN A 42 1.882 -8.651 4.973 1.00 0.00 C ATOM 605 CD GLN A 42 1.322 -7.910 6.188 1.00 0.00 C ATOM 606 OE1 GLN A 42 0.965 -6.744 6.127 1.00 0.00 O ATOM 607 NE2 GLN A 42 1.264 -8.647 7.293 1.00 0.00 N ATOM 0 H GLN A 42 0.623 -10.009 2.071 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.460 -9.259 4.561 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.773 -8.503 2.824 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.097 -7.124 3.668 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.759 -9.725 5.110 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.952 -8.461 4.888 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.579 -9.617 7.276 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.905 -8.242 8.158 1.00 0.00 H new ATOM 614 N VAL A 43 -1.388 -7.497 1.959 1.00 0.00 N ATOM 615 CA VAL A 43 -2.346 -6.509 1.492 1.00 0.00 C ATOM 616 C VAL A 43 -3.765 -7.025 1.740 1.00 0.00 C ATOM 617 O VAL A 43 -4.628 -6.280 2.203 1.00 0.00 O ATOM 618 CB VAL A 43 -2.080 -6.177 0.022 1.00 0.00 C ATOM 619 CG1 VAL A 43 -3.307 -5.529 -0.624 1.00 0.00 C ATOM 620 CG2 VAL A 43 -0.848 -5.282 -0.123 1.00 0.00 C ATOM 0 H VAL A 43 -0.839 -7.940 1.223 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.236 -5.578 2.047 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.879 -7.112 -0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.092 -5.303 -1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.152 -6.215 -0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.552 -4.607 -0.096 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.681 -5.061 -1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.008 -4.352 0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.024 -5.795 0.283 1.00 0.00 H new ATOM 630 N MET A 44 -3.963 -8.296 1.422 1.00 0.00 N ATOM 631 CA MET A 44 -5.263 -8.919 1.605 1.00 0.00 C ATOM 632 C MET A 44 -5.733 -8.791 3.056 1.00 0.00 C ATOM 633 O MET A 44 -6.895 -8.479 3.310 1.00 0.00 O ATOM 634 CB MET A 44 -5.177 -10.399 1.225 1.00 0.00 C ATOM 635 CG MET A 44 -5.971 -10.683 -0.052 1.00 0.00 C ATOM 636 SD MET A 44 -6.755 -12.283 0.060 1.00 0.00 S ATOM 637 CE MET A 44 -7.054 -12.604 -1.670 1.00 0.00 C ATOM 0 H MET A 44 -3.245 -8.911 1.039 1.00 0.00 H new ATOM 0 HA MET A 44 -5.983 -8.411 0.963 1.00 0.00 H new ATOM 0 HB2 MET A 44 -4.134 -10.681 1.080 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.562 -11.011 2.041 1.00 0.00 H new ATOM 0 HG2 MET A 44 -6.724 -9.909 -0.201 1.00 0.00 H new ATOM 0 HG3 MET A 44 -5.308 -10.653 -0.917 1.00 0.00 H new ATOM 0 HE1 MET A 44 -7.543 -13.572 -1.781 1.00 0.00 H new ATOM 0 HE2 MET A 44 -7.696 -11.824 -2.079 1.00 0.00 H new ATOM 0 HE3 MET A 44 -6.106 -12.612 -2.208 1.00 0.00 H new ATOM 645 N LYS A 45 -4.806 -9.039 3.969 1.00 0.00 N ATOM 646 CA LYS A 45 -5.111 -8.956 5.387 1.00 0.00 C ATOM 647 C LYS A 45 -5.071 -7.491 5.827 1.00 0.00 C ATOM 648 O LYS A 45 -5.634 -7.134 6.861 1.00 0.00 O ATOM 649 CB LYS A 45 -4.178 -9.865 6.190 1.00 0.00 C ATOM 650 CG LYS A 45 -4.830 -11.224 6.453 1.00 0.00 C ATOM 651 CD LYS A 45 -5.826 -11.140 7.612 1.00 0.00 C ATOM 652 CE LYS A 45 -6.747 -12.361 7.632 1.00 0.00 C ATOM 653 NZ LYS A 45 -7.828 -12.178 8.627 1.00 0.00 N ATOM 0 H LYS A 45 -3.843 -9.298 3.754 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.119 -9.321 5.582 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.244 -10.005 5.646 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.927 -9.389 7.138 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.342 -11.566 5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.061 -11.962 6.682 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.286 -11.072 8.556 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.422 -10.232 7.519 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.178 -12.516 6.643 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.171 -13.255 7.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.444 -13.016 8.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.412 -12.053 9.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.388 -11.337 8.381 1.00 0.00 H new ATOM 663 N ALA A 46 -4.399 -6.682 5.021 1.00 0.00 N ATOM 664 CA ALA A 46 -4.278 -5.264 5.314 1.00 0.00 C ATOM 665 C ALA A 46 -5.644 -4.595 5.148 1.00 0.00 C ATOM 666 O ALA A 46 -6.153 -3.975 6.081 1.00 0.00 O ATOM 667 CB ALA A 46 -3.212 -4.644 4.409 1.00 0.00 C ATOM 0 H ALA A 46 -3.933 -6.982 4.165 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.959 -5.112 6.345 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.122 -3.580 4.629 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.255 -5.134 4.586 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.499 -4.775 3.366 1.00 0.00 H new ATOM 673 N ASP A 47 -6.199 -4.744 3.954 1.00 0.00 N ATOM 674 CA ASP A 47 -7.496 -4.162 3.654 1.00 0.00 C ATOM 675 C ASP A 47 -8.434 -4.375 4.844 1.00 0.00 C ATOM 676 O ASP A 47 -8.937 -3.413 5.423 1.00 0.00 O ATOM 677 CB ASP A 47 -8.128 -4.826 2.430 1.00 0.00 C ATOM 678 CG ASP A 47 -8.729 -3.859 1.407 1.00 0.00 C ATOM 679 OD1 ASP A 47 -7.946 -3.361 0.569 1.00 0.00 O ATOM 680 OD2 ASP A 47 -9.957 -3.640 1.486 1.00 0.00 O ATOM 0 H ASP A 47 -5.774 -5.259 3.183 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.350 -3.101 3.454 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.371 -5.432 1.933 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.910 -5.506 2.768 1.00 0.00 H new ATOM 684 N ALA A 48 -8.641 -5.641 5.174 1.00 0.00 N ATOM 685 CA ALA A 48 -9.509 -5.993 6.285 1.00 0.00 C ATOM 686 C ALA A 48 -10.721 -5.059 6.295 1.00 0.00 C ATOM 687 O ALA A 48 -11.059 -4.487 7.330 1.00 0.00 O ATOM 688 CB ALA A 48 -8.716 -5.933 7.592 1.00 0.00 C ATOM 0 H ALA A 48 -8.222 -6.436 4.691 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.879 -7.012 6.175 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.367 -6.197 8.425 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -7.884 -6.635 7.545 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.331 -4.924 7.738 1.00 0.00 H new ATOM 694 N ASN A 49 -11.341 -4.934 5.131 1.00 0.00 N ATOM 695 CA ASN A 49 -12.508 -4.080 4.993 1.00 0.00 C ATOM 696 C ASN A 49 -13.461 -4.687 3.961 1.00 0.00 C ATOM 697 O ASN A 49 -14.663 -4.781 4.201 1.00 0.00 O ATOM 698 CB ASN A 49 -12.114 -2.683 4.507 1.00 0.00 C ATOM 699 CG ASN A 49 -13.343 -1.784 4.368 1.00 0.00 C ATOM 700 OD1 ASN A 49 -14.300 -1.876 5.119 1.00 0.00 O ATOM 701 ND2 ASN A 49 -13.264 -0.910 3.368 1.00 0.00 N ATOM 0 H ASN A 49 -11.057 -5.410 4.275 1.00 0.00 H new ATOM 0 HA ASN A 49 -12.985 -4.002 5.970 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -11.409 -2.236 5.208 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.604 -2.759 3.547 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -14.034 -0.264 3.193 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -12.433 -0.886 2.776 1.00 0.00 H new ATOM 707 N GLY A 50 -12.887 -5.085 2.835 1.00 0.00 N ATOM 708 CA GLY A 50 -13.670 -5.681 1.766 1.00 0.00 C ATOM 709 C GLY A 50 -12.902 -5.654 0.443 1.00 0.00 C ATOM 710 O GLY A 50 -12.676 -6.697 -0.169 1.00 0.00 O ATOM 0 H GLY A 50 -11.889 -5.006 2.640 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.921 -6.710 2.024 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.611 -5.142 1.655 1.00 0.00 H new ATOM 714 N ASP A 51 -12.523 -4.450 0.040 1.00 0.00 N ATOM 715 CA ASP A 51 -11.785 -4.274 -1.199 1.00 0.00 C ATOM 716 C ASP A 51 -11.566 -2.780 -1.448 1.00 0.00 C ATOM 717 O ASP A 51 -12.110 -2.219 -2.398 1.00 0.00 O ATOM 718 CB ASP A 51 -12.562 -4.842 -2.388 1.00 0.00 C ATOM 719 CG ASP A 51 -11.697 -5.340 -3.547 1.00 0.00 C ATOM 720 OD1 ASP A 51 -10.703 -6.039 -3.254 1.00 0.00 O ATOM 721 OD2 ASP A 51 -12.049 -5.011 -4.700 1.00 0.00 O ATOM 0 H ASP A 51 -12.713 -3.587 0.550 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.835 -4.800 -1.104 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -13.182 -5.667 -2.037 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -13.237 -4.073 -2.763 1.00 0.00 H new ATOM 725 N GLY A 52 -10.767 -2.179 -0.579 1.00 0.00 N ATOM 726 CA GLY A 52 -10.469 -0.761 -0.693 1.00 0.00 C ATOM 727 C GLY A 52 -8.994 -0.537 -1.035 1.00 0.00 C ATOM 728 O GLY A 52 -8.407 -1.303 -1.797 1.00 0.00 O ATOM 0 H GLY A 52 -10.317 -2.648 0.207 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.097 -0.315 -1.464 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.709 -0.259 0.244 1.00 0.00 H new ATOM 732 N TYR A 53 -8.439 0.516 -0.455 1.00 0.00 N ATOM 733 CA TYR A 53 -7.044 0.851 -0.689 1.00 0.00 C ATOM 734 C TYR A 53 -6.414 1.478 0.557 1.00 0.00 C ATOM 735 O TYR A 53 -7.120 1.849 1.494 1.00 0.00 O ATOM 736 CB TYR A 53 -7.042 1.881 -1.820 1.00 0.00 C ATOM 737 CG TYR A 53 -8.189 2.891 -1.744 1.00 0.00 C ATOM 738 CD1 TYR A 53 -8.358 3.660 -0.610 1.00 0.00 C ATOM 739 CD2 TYR A 53 -9.055 3.034 -2.810 1.00 0.00 C ATOM 740 CE1 TYR A 53 -9.437 4.610 -0.539 1.00 0.00 C ATOM 741 CE2 TYR A 53 -10.134 3.984 -2.738 1.00 0.00 C ATOM 742 CZ TYR A 53 -10.272 4.725 -1.607 1.00 0.00 C ATOM 743 OH TYR A 53 -11.292 5.623 -1.539 1.00 0.00 O ATOM 0 H TYR A 53 -8.929 1.149 0.177 1.00 0.00 H new ATOM 0 HA TYR A 53 -6.471 -0.043 -0.936 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -6.095 2.420 -1.805 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.095 1.357 -2.775 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.681 3.549 0.224 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.923 2.433 -3.698 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -9.581 5.218 0.342 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.819 4.105 -3.564 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.806 5.598 -2.373 1.00 0.00 H new ATOM 752 N ILE A 54 -5.093 1.576 0.527 1.00 0.00 N ATOM 753 CA ILE A 54 -4.360 2.151 1.642 1.00 0.00 C ATOM 754 C ILE A 54 -4.028 3.611 1.329 1.00 0.00 C ATOM 755 O ILE A 54 -3.101 3.892 0.571 1.00 0.00 O ATOM 756 CB ILE A 54 -3.134 1.299 1.974 1.00 0.00 C ATOM 757 CG1 ILE A 54 -3.346 0.513 3.269 1.00 0.00 C ATOM 758 CG2 ILE A 54 -1.868 2.156 2.024 1.00 0.00 C ATOM 759 CD1 ILE A 54 -4.069 -0.807 2.998 1.00 0.00 C ATOM 0 H ILE A 54 -4.511 1.267 -0.252 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.974 2.149 2.543 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.998 0.571 1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.383 0.314 3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.926 1.112 3.971 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.011 1.526 2.262 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.711 2.631 1.055 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.978 2.923 2.790 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.207 -1.346 3.936 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.042 -0.604 2.550 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.475 -1.414 2.315 1.00 0.00 H new ATOM 770 N THR A 55 -4.803 4.503 1.929 1.00 0.00 N ATOM 771 CA THR A 55 -4.603 5.927 1.724 1.00 0.00 C ATOM 772 C THR A 55 -3.739 6.511 2.844 1.00 0.00 C ATOM 773 O THR A 55 -3.794 6.047 3.982 1.00 0.00 O ATOM 774 CB THR A 55 -5.979 6.587 1.612 1.00 0.00 C ATOM 775 OG1 THR A 55 -6.566 6.386 2.895 1.00 0.00 O ATOM 776 CG2 THR A 55 -6.910 5.840 0.655 1.00 0.00 C ATOM 0 H THR A 55 -5.571 4.266 2.557 1.00 0.00 H new ATOM 0 HA THR A 55 -4.058 6.120 0.800 1.00 0.00 H new ATOM 0 HB THR A 55 -5.861 7.617 1.274 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.539 6.485 2.829 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.873 6.350 0.612 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.467 5.817 -0.340 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.055 4.820 1.011 1.00 0.00 H new ATOM 784 N LEU A 56 -2.960 7.520 2.482 1.00 0.00 N ATOM 785 CA LEU A 56 -2.085 8.172 3.442 1.00 0.00 C ATOM 786 C LEU A 56 -2.820 8.320 4.776 1.00 0.00 C ATOM 787 O LEU A 56 -2.228 8.135 5.838 1.00 0.00 O ATOM 788 CB LEU A 56 -1.562 9.494 2.878 1.00 0.00 C ATOM 789 CG LEU A 56 -0.928 9.426 1.487 1.00 0.00 C ATOM 790 CD1 LEU A 56 -1.747 10.224 0.471 1.00 0.00 C ATOM 791 CD2 LEU A 56 0.533 9.878 1.527 1.00 0.00 C ATOM 0 H LEU A 56 -2.917 7.902 1.537 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.202 7.561 3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.388 10.204 2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.824 9.896 3.573 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.934 8.386 1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.274 10.159 -0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.756 9.815 0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.795 11.268 0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.959 9.820 0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.586 10.906 1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.096 9.230 2.199 1.00 0.00 H new ATOM 802 N GLU A 57 -4.098 8.652 4.677 1.00 0.00 N ATOM 803 CA GLU A 57 -4.920 8.828 5.863 1.00 0.00 C ATOM 804 C GLU A 57 -5.106 7.490 6.582 1.00 0.00 C ATOM 805 O GLU A 57 -4.942 7.407 7.798 1.00 0.00 O ATOM 806 CB GLU A 57 -6.271 9.451 5.507 1.00 0.00 C ATOM 807 CG GLU A 57 -7.035 8.574 4.513 1.00 0.00 C ATOM 808 CD GLU A 57 -8.368 9.218 4.127 1.00 0.00 C ATOM 809 OE1 GLU A 57 -8.377 10.458 3.975 1.00 0.00 O ATOM 810 OE2 GLU A 57 -9.349 8.454 3.992 1.00 0.00 O ATOM 0 H GLU A 57 -4.585 8.804 3.794 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.408 9.514 6.538 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.864 9.583 6.412 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.117 10.442 5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.430 8.418 3.620 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.215 7.592 4.952 1.00 0.00 H new ATOM 815 N GLU A 58 -5.446 6.476 5.800 1.00 0.00 N ATOM 816 CA GLU A 58 -5.657 5.147 6.347 1.00 0.00 C ATOM 817 C GLU A 58 -4.325 4.539 6.792 1.00 0.00 C ATOM 818 O GLU A 58 -4.276 3.786 7.763 1.00 0.00 O ATOM 819 CB GLU A 58 -6.361 4.242 5.334 1.00 0.00 C ATOM 820 CG GLU A 58 -6.698 2.884 5.953 1.00 0.00 C ATOM 821 CD GLU A 58 -8.179 2.549 5.766 1.00 0.00 C ATOM 822 OE1 GLU A 58 -8.663 2.729 4.628 1.00 0.00 O ATOM 823 OE2 GLU A 58 -8.794 2.120 6.766 1.00 0.00 O ATOM 0 H GLU A 58 -5.581 6.548 4.792 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.305 5.233 7.219 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.275 4.723 4.985 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.722 4.100 4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.085 2.109 5.493 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.455 2.894 7.016 1.00 0.00 H new ATOM 828 N PHE A 59 -3.278 4.888 6.059 1.00 0.00 N ATOM 829 CA PHE A 59 -1.949 4.386 6.366 1.00 0.00 C ATOM 830 C PHE A 59 -1.457 4.924 7.711 1.00 0.00 C ATOM 831 O PHE A 59 -0.831 4.198 8.482 1.00 0.00 O ATOM 832 CB PHE A 59 -1.017 4.884 5.260 1.00 0.00 C ATOM 833 CG PHE A 59 -0.002 3.842 4.786 1.00 0.00 C ATOM 834 CD1 PHE A 59 -0.384 2.547 4.620 1.00 0.00 C ATOM 835 CD2 PHE A 59 1.282 4.210 4.529 1.00 0.00 C ATOM 836 CE1 PHE A 59 0.558 1.579 4.180 1.00 0.00 C ATOM 837 CE2 PHE A 59 2.224 3.242 4.089 1.00 0.00 C ATOM 838 CZ PHE A 59 1.842 1.948 3.924 1.00 0.00 C ATOM 0 H PHE A 59 -3.323 5.512 5.254 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.967 3.298 6.425 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.618 5.204 4.409 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.480 5.762 5.619 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.404 2.255 4.823 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.585 5.238 4.659 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.255 0.551 4.049 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.244 3.534 3.886 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.558 1.212 3.589 1.00 0.00 H new ATOM 847 N LEU A 60 -1.758 6.192 7.952 1.00 0.00 N ATOM 848 CA LEU A 60 -1.355 6.835 9.190 1.00 0.00 C ATOM 849 C LEU A 60 -2.337 6.456 10.301 1.00 0.00 C ATOM 850 O LEU A 60 -1.975 6.443 11.476 1.00 0.00 O ATOM 851 CB LEU A 60 -1.209 8.344 8.988 1.00 0.00 C ATOM 852 CG LEU A 60 -0.353 8.781 7.797 1.00 0.00 C ATOM 853 CD1 LEU A 60 -0.956 10.009 7.110 1.00 0.00 C ATOM 854 CD2 LEU A 60 1.098 9.016 8.221 1.00 0.00 C ATOM 0 H LEU A 60 -2.277 6.791 7.310 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.371 6.481 9.499 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.204 8.773 8.872 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.781 8.772 9.894 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.347 7.973 7.066 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.329 10.299 6.267 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.957 9.770 6.752 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.012 10.833 7.821 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.684 9.326 7.356 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.133 9.796 8.981 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.512 8.094 8.629 1.00 0.00 H new ATOM 865 N GLU A 61 -3.559 6.155 9.888 1.00 0.00 N ATOM 866 CA GLU A 61 -4.596 5.777 10.833 1.00 0.00 C ATOM 867 C GLU A 61 -4.315 4.384 11.400 1.00 0.00 C ATOM 868 O GLU A 61 -4.604 4.114 12.565 1.00 0.00 O ATOM 869 CB GLU A 61 -5.979 5.834 10.181 1.00 0.00 C ATOM 870 CG GLU A 61 -7.084 5.838 11.240 1.00 0.00 C ATOM 871 CD GLU A 61 -8.298 6.638 10.763 1.00 0.00 C ATOM 872 OE1 GLU A 61 -8.192 7.883 10.762 1.00 0.00 O ATOM 873 OE2 GLU A 61 -9.304 5.986 10.410 1.00 0.00 O ATOM 0 H GLU A 61 -3.854 6.165 8.912 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.588 6.492 11.656 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.058 6.729 9.564 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.108 4.978 9.518 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.383 4.814 11.462 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.703 6.267 12.167 1.00 0.00 H new ATOM 878 N PHE A 62 -3.754 3.536 10.550 1.00 0.00 N ATOM 879 CA PHE A 62 -3.430 2.178 10.952 1.00 0.00 C ATOM 880 C PHE A 62 -2.199 2.153 11.861 1.00 0.00 C ATOM 881 O PHE A 62 -2.074 1.281 12.718 1.00 0.00 O ATOM 882 CB PHE A 62 -3.121 1.395 9.674 1.00 0.00 C ATOM 883 CG PHE A 62 -4.295 0.562 9.156 1.00 0.00 C ATOM 884 CD1 PHE A 62 -5.478 1.164 8.859 1.00 0.00 C ATOM 885 CD2 PHE A 62 -4.156 -0.781 8.992 1.00 0.00 C ATOM 886 CE1 PHE A 62 -6.567 0.391 8.378 1.00 0.00 C ATOM 887 CE2 PHE A 62 -5.245 -1.554 8.510 1.00 0.00 C ATOM 888 CZ PHE A 62 -6.428 -0.952 8.213 1.00 0.00 C ATOM 0 H PHE A 62 -3.516 3.763 9.585 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.264 1.745 11.504 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.814 2.095 8.897 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.274 0.734 9.861 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.589 2.230 8.989 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.217 -1.259 9.228 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.506 0.869 8.143 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.134 -2.620 8.379 1.00 0.00 H new ATOM 0 HZ PHE A 62 -7.256 -1.540 7.846 1.00 0.00 H new ATOM 897 N SER A 63 -1.322 3.122 11.642 1.00 0.00 N ATOM 898 CA SER A 63 -0.106 3.223 12.430 1.00 0.00 C ATOM 899 C SER A 63 -0.418 3.835 13.797 1.00 0.00 C ATOM 900 O SER A 63 0.279 3.568 14.775 1.00 0.00 O ATOM 901 CB SER A 63 0.953 4.055 11.705 1.00 0.00 C ATOM 902 OG SER A 63 2.087 3.273 11.338 1.00 0.00 O ATOM 0 H SER A 63 -1.430 3.844 10.930 1.00 0.00 H new ATOM 0 HA SER A 63 0.294 2.219 12.571 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.515 4.500 10.812 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.271 4.876 12.347 1.00 0.00 H new ATOM 0 HG SER A 63 2.740 3.840 10.876 1.00 0.00 H new ATOM 907 N LEU A 64 -1.466 4.645 13.822 1.00 0.00 N ATOM 908 CA LEU A 64 -1.879 5.298 15.053 1.00 0.00 C ATOM 909 C LEU A 64 -2.677 4.310 15.905 1.00 0.00 C ATOM 910 O LEU A 64 -2.315 4.037 17.049 1.00 0.00 O ATOM 911 CB LEU A 64 -2.631 6.594 14.746 1.00 0.00 C ATOM 912 CG LEU A 64 -3.094 7.404 15.958 1.00 0.00 C ATOM 913 CD1 LEU A 64 -1.900 7.969 16.729 1.00 0.00 C ATOM 914 CD2 LEU A 64 -4.079 8.499 15.543 1.00 0.00 C ATOM 0 H LEU A 64 -2.042 4.864 13.009 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.009 5.594 15.639 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.988 7.227 14.135 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.505 6.349 14.142 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.625 6.733 16.634 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.257 8.540 17.586 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.271 7.150 17.076 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.320 8.620 16.075 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.392 9.060 16.424 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.596 9.174 14.836 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.951 8.045 15.073 1.00 0.00 H new