USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 616 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -110:sc= 0 (180deg=-0.0241) USER MOD Single : A 1 MET N :NH3+ 137:sc= -0.203 (180deg=-1.12) USER MOD Single : A 6 THR OG1 : rot -51:sc= 0.0489 USER MOD Single : A 9 LYS NZ :NH3+ -169:sc= -0.0124 (180deg=-0.16) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00215 USER MOD Single : A 11 SER OG : rot -52:sc= 0.667 USER MOD Single : A 26 SER OG : rot 79:sc= 1.15 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc=-0.00654 K(o=-0.0065,f=-1.5!) USER MOD Single : A 39 HIS : no HE2:sc= -5.35! C(o=-5.4!,f=-12!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 30:sc= -0.691 USER MOD Single : A 48 ASN : amide:sc= -2.31! C(o=-2.3!,f=-6.9!) USER MOD Single : A 49 ASN :FLIP amide:sc= -2.78 F(o=-4!,f=-2.8) USER MOD Single : A 51 SER OG : rot 180:sc= -0.502 USER MOD Single : A 56 THR OG1 : rot -105:sc= -0.258 USER MOD Single : A 57 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00972) USER MOD Single : A 60 LYS NZ :NH3+ 166:sc=-0.00944 (180deg=-0.307) USER MOD Single : A 61 GLN : amide:sc= -0.0248 K(o=-0.025,f=-1.9!) USER MOD Single : A 64 SER OG : rot -56:sc= 0.948 USER MOD Single : A 68 GLN : amide:sc= 0.0906 K(o=0.091,f=-2!) USER MOD Single : A 70 THR OG1 : rot 77:sc= 0.252 USER MOD Single : A 73 SER OG : rot -17:sc= 0.199 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.880 3.824 -0.674 1.00 0.00 N ATOM 2 CA MET A 1 -13.092 2.562 -0.596 1.00 0.00 C ATOM 3 C MET A 1 -12.003 2.713 0.463 1.00 0.00 C ATOM 4 O MET A 1 -11.406 3.782 0.592 1.00 0.00 O ATOM 5 CB MET A 1 -12.453 2.288 -1.960 1.00 0.00 C ATOM 6 CG MET A 1 -11.516 3.441 -2.329 1.00 0.00 C ATOM 7 SD MET A 1 -10.986 3.274 -4.055 1.00 0.00 S ATOM 8 CE MET A 1 -9.695 2.030 -3.803 1.00 0.00 C ATOM 0 H1 MET A 1 -14.053 4.064 -1.671 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.789 3.696 -0.186 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.348 4.594 -0.220 1.00 0.00 H new ATOM 0 HA MET A 1 -13.744 1.731 -0.326 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.898 1.350 -1.931 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.227 2.177 -2.720 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.024 4.395 -2.186 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.647 3.441 -1.671 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.717 2.483 -3.965 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.753 1.647 -2.784 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.837 1.211 -4.508 1.00 0.00 H new ATOM 20 N ARG A 2 -11.733 1.638 1.206 1.00 0.00 N ATOM 21 CA ARG A 2 -10.690 1.668 2.242 1.00 0.00 C ATOM 22 C ARG A 2 -9.670 0.560 1.994 1.00 0.00 C ATOM 23 O ARG A 2 -10.033 -0.586 1.728 1.00 0.00 O ATOM 24 CB ARG A 2 -11.303 1.482 3.633 1.00 0.00 C ATOM 25 CG ARG A 2 -12.126 2.716 4.006 1.00 0.00 C ATOM 26 CD ARG A 2 -12.709 2.531 5.409 1.00 0.00 C ATOM 27 NE ARG A 2 -13.525 3.682 5.777 1.00 0.00 N ATOM 28 CZ ARG A 2 -14.770 3.812 5.331 1.00 0.00 C ATOM 29 NH1 ARG A 2 -15.255 2.943 4.486 1.00 0.00 N ATOM 30 NH2 ARG A 2 -15.508 4.807 5.738 1.00 0.00 N ATOM 0 H ARG A 2 -12.214 0.743 1.114 1.00 0.00 H new ATOM 0 HA ARG A 2 -10.196 2.639 2.196 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -11.935 0.594 3.646 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.515 1.323 4.369 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -11.500 3.608 3.975 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -12.928 2.864 3.283 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -13.313 1.624 5.442 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -11.902 2.404 6.131 1.00 0.00 H new ATOM 0 HE ARG A 2 -13.134 4.400 6.387 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -14.678 2.164 4.168 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -16.211 3.043 4.144 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -15.130 5.486 6.399 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -16.464 4.907 5.396 1.00 0.00 H new ATOM 44 N ILE A 3 -8.392 0.916 2.071 1.00 0.00 N ATOM 45 CA ILE A 3 -7.304 -0.042 1.842 1.00 0.00 C ATOM 46 C ILE A 3 -6.465 -0.181 3.109 1.00 0.00 C ATOM 47 O ILE A 3 -5.969 0.816 3.632 1.00 0.00 O ATOM 48 CB ILE A 3 -6.393 0.491 0.731 1.00 0.00 C ATOM 49 CG1 ILE A 3 -7.211 0.796 -0.535 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.311 -0.544 0.412 1.00 0.00 C ATOM 51 CD1 ILE A 3 -8.036 -0.422 -0.953 1.00 0.00 C ATOM 0 H ILE A 3 -8.079 1.862 2.290 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.731 -1.006 1.565 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.924 1.413 1.074 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.872 1.643 -0.352 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -6.542 1.084 -1.346 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.664 -0.163 -0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.717 -0.737 1.305 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.780 -1.471 0.081 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.607 -0.184 -1.851 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -7.370 -1.260 -1.158 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.720 -0.691 -0.149 1.00 0.00 H new ATOM 63 N GLU A 4 -6.309 -1.408 3.605 1.00 0.00 N ATOM 64 CA GLU A 4 -5.519 -1.638 4.825 1.00 0.00 C ATOM 65 C GLU A 4 -4.402 -2.656 4.586 1.00 0.00 C ATOM 66 O GLU A 4 -4.634 -3.741 4.053 1.00 0.00 O ATOM 67 CB GLU A 4 -6.438 -2.120 5.953 1.00 0.00 C ATOM 68 CG GLU A 4 -5.638 -2.266 7.250 1.00 0.00 C ATOM 69 CD GLU A 4 -6.557 -2.717 8.380 1.00 0.00 C ATOM 70 OE1 GLU A 4 -7.760 -2.714 8.176 1.00 0.00 O ATOM 71 OE2 GLU A 4 -6.045 -3.057 9.434 1.00 0.00 O ATOM 0 H GLU A 4 -6.710 -2.250 3.192 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.053 -0.695 5.111 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.254 -1.412 6.097 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.888 -3.075 5.684 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.835 -2.990 7.112 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.170 -1.316 7.508 1.00 0.00 H new ATOM 78 N VAL A 5 -3.183 -2.278 4.978 1.00 0.00 N ATOM 79 CA VAL A 5 -2.007 -3.147 4.799 1.00 0.00 C ATOM 80 C VAL A 5 -1.349 -3.480 6.141 1.00 0.00 C ATOM 81 O VAL A 5 -1.096 -2.595 6.950 1.00 0.00 O ATOM 82 CB VAL A 5 -0.979 -2.446 3.906 1.00 0.00 C ATOM 83 CG1 VAL A 5 0.228 -3.371 3.699 1.00 0.00 C ATOM 84 CG2 VAL A 5 -1.608 -2.081 2.540 1.00 0.00 C ATOM 0 H VAL A 5 -2.980 -1.381 5.420 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.345 -4.074 4.336 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.654 -1.526 4.391 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.962 -2.875 3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.680 -3.601 4.664 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.099 -4.295 3.222 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.864 -1.584 1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.949 -2.989 2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.455 -1.413 2.696 1.00 0.00 H new ATOM 94 N THR A 6 -1.057 -4.768 6.365 1.00 0.00 N ATOM 95 CA THR A 6 -0.404 -5.208 7.609 1.00 0.00 C ATOM 96 C THR A 6 0.917 -5.892 7.291 1.00 0.00 C ATOM 97 O THR A 6 1.015 -6.689 6.360 1.00 0.00 O ATOM 98 CB THR A 6 -1.319 -6.154 8.389 1.00 0.00 C ATOM 99 OG1 THR A 6 -1.776 -7.178 7.522 1.00 0.00 O ATOM 100 CG2 THR A 6 -2.520 -5.379 8.948 1.00 0.00 C ATOM 0 H THR A 6 -1.260 -5.521 5.707 1.00 0.00 H new ATOM 0 HA THR A 6 -0.207 -4.333 8.228 1.00 0.00 H new ATOM 0 HB THR A 6 -0.764 -6.593 9.218 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.140 -6.777 6.705 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.166 -6.060 9.502 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.167 -4.592 9.614 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.081 -4.935 8.126 1.00 0.00 H new ATOM 108 N ILE A 7 1.932 -5.566 8.088 1.00 0.00 N ATOM 109 CA ILE A 7 3.272 -6.128 7.931 1.00 0.00 C ATOM 110 C ILE A 7 3.672 -6.907 9.190 1.00 0.00 C ATOM 111 O ILE A 7 3.482 -6.434 10.309 1.00 0.00 O ATOM 112 CB ILE A 7 4.243 -4.965 7.687 1.00 0.00 C ATOM 113 CG1 ILE A 7 4.137 -4.523 6.216 1.00 0.00 C ATOM 114 CG2 ILE A 7 5.696 -5.381 8.008 1.00 0.00 C ATOM 115 CD1 ILE A 7 4.763 -3.139 6.049 1.00 0.00 C ATOM 0 H ILE A 7 1.849 -4.905 8.861 1.00 0.00 H new ATOM 0 HA ILE A 7 3.297 -6.821 7.090 1.00 0.00 H new ATOM 0 HB ILE A 7 3.976 -4.138 8.345 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.644 -5.242 5.572 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.092 -4.500 5.907 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.364 -4.539 7.827 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.766 -5.681 9.053 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.984 -6.217 7.370 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.687 -2.828 5.007 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.237 -2.423 6.680 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.813 -3.177 6.340 1.00 0.00 H new ATOM 127 N ALA A 8 4.220 -8.105 8.996 1.00 0.00 N ATOM 128 CA ALA A 8 4.637 -8.947 10.118 1.00 0.00 C ATOM 129 C ALA A 8 5.799 -8.331 10.878 1.00 0.00 C ATOM 130 O ALA A 8 6.773 -7.840 10.310 1.00 0.00 O ATOM 131 CB ALA A 8 5.059 -10.314 9.585 1.00 0.00 C ATOM 0 H ALA A 8 4.386 -8.514 8.077 1.00 0.00 H new ATOM 0 HA ALA A 8 3.795 -9.042 10.803 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.371 -10.948 10.415 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.218 -10.779 9.070 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.889 -10.193 8.889 1.00 0.00 H new ATOM 137 N LYS A 9 5.640 -8.385 12.195 1.00 0.00 N ATOM 138 CA LYS A 9 6.622 -7.858 13.130 1.00 0.00 C ATOM 139 C LYS A 9 7.968 -8.554 12.961 1.00 0.00 C ATOM 140 O LYS A 9 9.010 -7.962 13.245 1.00 0.00 O ATOM 141 CB LYS A 9 6.136 -7.984 14.587 1.00 0.00 C ATOM 142 CG LYS A 9 5.011 -6.991 14.929 1.00 0.00 C ATOM 143 CD LYS A 9 4.594 -7.187 16.388 1.00 0.00 C ATOM 144 CE LYS A 9 3.470 -6.206 16.733 1.00 0.00 C ATOM 145 NZ LYS A 9 4.020 -4.825 16.819 1.00 0.00 N ATOM 0 H LYS A 9 4.823 -8.797 12.644 1.00 0.00 H new ATOM 0 HA LYS A 9 6.749 -6.799 12.904 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.782 -9.000 14.760 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.977 -7.820 15.261 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.352 -5.968 14.770 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.157 -7.149 14.270 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.259 -8.212 16.547 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.447 -7.025 17.046 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.689 -6.251 15.974 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.009 -6.484 17.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.306 -4.192 17.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.869 -4.826 17.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.270 -4.491 15.866 1.00 0.00 H new ATOM 159 N THR A 10 7.961 -9.793 12.473 1.00 0.00 N ATOM 160 CA THR A 10 9.208 -10.513 12.249 1.00 0.00 C ATOM 161 C THR A 10 10.048 -9.745 11.236 1.00 0.00 C ATOM 162 O THR A 10 11.232 -10.031 11.061 1.00 0.00 O ATOM 163 CB THR A 10 8.917 -11.919 11.707 1.00 0.00 C ATOM 164 OG1 THR A 10 8.003 -11.824 10.623 1.00 0.00 O ATOM 165 CG2 THR A 10 8.318 -12.795 12.811 1.00 0.00 C ATOM 0 H THR A 10 7.117 -10.311 12.229 1.00 0.00 H new ATOM 0 HA THR A 10 9.747 -10.602 13.192 1.00 0.00 H new ATOM 0 HB THR A 10 9.847 -12.372 11.364 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.816 -12.720 10.273 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.115 -13.790 12.416 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.023 -12.870 13.639 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.389 -12.349 13.165 1.00 0.00 H new ATOM 173 N SER A 11 9.429 -8.776 10.559 1.00 0.00 N ATOM 174 CA SER A 11 10.129 -7.975 9.544 1.00 0.00 C ATOM 175 C SER A 11 10.084 -6.479 9.881 1.00 0.00 C ATOM 176 O SER A 11 9.273 -5.740 9.323 1.00 0.00 O ATOM 177 CB SER A 11 9.458 -8.193 8.187 1.00 0.00 C ATOM 178 OG SER A 11 8.100 -7.778 8.266 1.00 0.00 O ATOM 0 H SER A 11 8.449 -8.525 10.692 1.00 0.00 H new ATOM 0 HA SER A 11 11.171 -8.293 9.519 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.979 -7.627 7.415 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.514 -9.244 7.905 1.00 0.00 H new ATOM 0 HG SER A 11 7.669 -8.212 9.032 1.00 0.00 H new ATOM 184 N PRO A 12 10.936 -6.017 10.766 1.00 0.00 N ATOM 185 CA PRO A 12 10.995 -4.582 11.164 1.00 0.00 C ATOM 186 C PRO A 12 11.611 -3.672 10.090 1.00 0.00 C ATOM 187 O PRO A 12 12.665 -3.978 9.534 1.00 0.00 O ATOM 188 CB PRO A 12 11.781 -4.562 12.493 1.00 0.00 C ATOM 189 CG PRO A 12 12.132 -6.002 12.793 1.00 0.00 C ATOM 190 CD PRO A 12 11.945 -6.792 11.493 1.00 0.00 C ATOM 0 HA PRO A 12 9.993 -4.170 11.285 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.680 -3.952 12.405 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.181 -4.132 13.295 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.159 -6.082 13.148 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.491 -6.399 13.580 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.876 -6.867 10.931 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.607 -7.810 11.687 1.00 0.00 H new ATOM 198 N LEU A 13 10.944 -2.539 9.819 1.00 0.00 N ATOM 199 CA LEU A 13 11.421 -1.567 8.828 1.00 0.00 C ATOM 200 C LEU A 13 11.950 -0.320 9.555 1.00 0.00 C ATOM 201 O LEU A 13 11.473 0.000 10.643 1.00 0.00 O ATOM 202 CB LEU A 13 10.268 -1.181 7.892 1.00 0.00 C ATOM 203 CG LEU A 13 9.551 -2.446 7.386 1.00 0.00 C ATOM 204 CD1 LEU A 13 8.529 -2.068 6.305 1.00 0.00 C ATOM 205 CD2 LEU A 13 10.569 -3.431 6.787 1.00 0.00 C ATOM 0 H LEU A 13 10.071 -2.275 10.275 1.00 0.00 H new ATOM 0 HA LEU A 13 12.225 -2.007 8.237 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.562 -0.539 8.418 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.651 -0.608 7.047 1.00 0.00 H new ATOM 0 HG LEU A 13 9.043 -2.916 8.228 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.025 -2.967 5.951 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.794 -1.381 6.724 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.042 -1.587 5.472 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.049 -4.321 6.433 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.086 -2.957 5.953 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.294 -3.714 7.550 1.00 0.00 H new ATOM 217 N PRO A 14 12.933 0.375 9.014 1.00 0.00 N ATOM 218 CA PRO A 14 13.506 1.573 9.694 1.00 0.00 C ATOM 219 C PRO A 14 12.431 2.569 10.158 1.00 0.00 C ATOM 220 O PRO A 14 11.348 2.671 9.583 1.00 0.00 O ATOM 221 CB PRO A 14 14.484 2.203 8.679 1.00 0.00 C ATOM 222 CG PRO A 14 14.428 1.355 7.428 1.00 0.00 C ATOM 223 CD PRO A 14 13.604 0.090 7.737 1.00 0.00 C ATOM 0 HA PRO A 14 14.016 1.286 10.614 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.202 3.233 8.460 1.00 0.00 H new ATOM 0 HB3 PRO A 14 15.496 2.228 9.083 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.973 1.914 6.610 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.434 1.084 7.108 1.00 0.00 H new ATOM 0 HD2 PRO A 14 12.880 -0.112 6.947 1.00 0.00 H new ATOM 0 HD3 PRO A 14 14.244 -0.789 7.815 1.00 0.00 H new ATOM 231 N ALA A 15 12.778 3.272 11.232 1.00 0.00 N ATOM 232 CA ALA A 15 11.913 4.266 11.868 1.00 0.00 C ATOM 233 C ALA A 15 11.481 5.393 10.919 1.00 0.00 C ATOM 234 O ALA A 15 11.589 6.569 11.270 1.00 0.00 O ATOM 235 CB ALA A 15 12.674 4.874 13.049 1.00 0.00 C ATOM 0 H ALA A 15 13.682 3.167 11.694 1.00 0.00 H new ATOM 0 HA ALA A 15 11.003 3.757 12.185 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.048 5.619 13.540 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.929 4.089 13.761 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.587 5.347 12.688 1.00 0.00 H new ATOM 241 N GLY A 16 10.993 5.052 9.729 1.00 0.00 N ATOM 242 CA GLY A 16 10.558 6.075 8.776 1.00 0.00 C ATOM 243 C GLY A 16 9.919 5.441 7.548 1.00 0.00 C ATOM 244 O GLY A 16 9.244 6.106 6.761 1.00 0.00 O ATOM 0 H GLY A 16 10.889 4.091 9.403 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.845 6.745 9.256 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.412 6.682 8.474 1.00 0.00 H new ATOM 248 N ALA A 17 10.193 4.156 7.376 1.00 0.00 N ATOM 249 CA ALA A 17 9.713 3.407 6.223 1.00 0.00 C ATOM 250 C ALA A 17 8.203 3.179 6.176 1.00 0.00 C ATOM 251 O ALA A 17 7.597 3.316 5.114 1.00 0.00 O ATOM 252 CB ALA A 17 10.467 2.082 6.113 1.00 0.00 C ATOM 0 H ALA A 17 10.751 3.605 8.028 1.00 0.00 H new ATOM 0 HA ALA A 17 9.921 4.037 5.358 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.103 1.527 5.248 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.533 2.278 5.996 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.304 1.494 7.016 1.00 0.00 H new ATOM 258 N ILE A 18 7.590 2.823 7.288 1.00 0.00 N ATOM 259 CA ILE A 18 6.154 2.581 7.272 1.00 0.00 C ATOM 260 C ILE A 18 5.415 3.839 6.839 1.00 0.00 C ATOM 261 O ILE A 18 4.573 3.801 5.941 1.00 0.00 O ATOM 262 CB ILE A 18 5.691 2.143 8.663 1.00 0.00 C ATOM 263 CG1 ILE A 18 6.287 0.754 8.989 1.00 0.00 C ATOM 264 CG2 ILE A 18 4.158 2.098 8.720 1.00 0.00 C ATOM 265 CD1 ILE A 18 5.408 -0.379 8.442 1.00 0.00 C ATOM 0 H ILE A 18 8.045 2.697 8.192 1.00 0.00 H new ATOM 0 HA ILE A 18 5.932 1.788 6.558 1.00 0.00 H new ATOM 0 HB ILE A 18 6.040 2.862 9.404 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.287 0.677 8.563 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.391 0.646 10.069 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.840 1.785 9.714 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.757 3.088 8.506 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.787 1.388 7.980 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.858 -1.340 8.690 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.415 -0.317 8.888 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.326 -0.285 7.359 1.00 0.00 H new ATOM 277 N ASP A 19 5.751 4.955 7.468 1.00 0.00 N ATOM 278 CA ASP A 19 5.120 6.215 7.114 1.00 0.00 C ATOM 279 C ASP A 19 5.403 6.518 5.649 1.00 0.00 C ATOM 280 O ASP A 19 4.529 7.012 4.936 1.00 0.00 O ATOM 281 CB ASP A 19 5.599 7.357 8.011 1.00 0.00 C ATOM 282 CG ASP A 19 5.051 7.175 9.423 1.00 0.00 C ATOM 283 OD1 ASP A 19 3.983 6.600 9.553 1.00 0.00 O ATOM 284 OD2 ASP A 19 5.711 7.607 10.353 1.00 0.00 O ATOM 0 H ASP A 19 6.445 5.014 8.213 1.00 0.00 H new ATOM 0 HA ASP A 19 4.044 6.124 7.266 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.689 7.379 8.035 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.269 8.313 7.604 1.00 0.00 H new ATOM 289 N ALA A 20 6.621 6.228 5.190 1.00 0.00 N ATOM 290 CA ALA A 20 6.956 6.497 3.800 1.00 0.00 C ATOM 291 C ALA A 20 6.141 5.607 2.855 1.00 0.00 C ATOM 292 O ALA A 20 5.654 6.064 1.820 1.00 0.00 O ATOM 293 CB ALA A 20 8.460 6.312 3.557 1.00 0.00 C ATOM 0 H ALA A 20 7.371 5.818 5.746 1.00 0.00 H new ATOM 0 HA ALA A 20 6.701 7.535 3.588 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.688 6.518 2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.018 6.999 4.192 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.744 5.287 3.795 1.00 0.00 H new ATOM 299 N LEU A 21 5.995 4.340 3.224 1.00 0.00 N ATOM 300 CA LEU A 21 5.244 3.384 2.434 1.00 0.00 C ATOM 301 C LEU A 21 3.788 3.815 2.286 1.00 0.00 C ATOM 302 O LEU A 21 3.240 3.831 1.185 1.00 0.00 O ATOM 303 CB LEU A 21 5.372 2.010 3.119 1.00 0.00 C ATOM 304 CG LEU A 21 4.442 0.980 2.487 1.00 0.00 C ATOM 305 CD1 LEU A 21 4.792 0.777 1.011 1.00 0.00 C ATOM 306 CD2 LEU A 21 4.592 -0.353 3.222 1.00 0.00 C ATOM 0 H LEU A 21 6.395 3.951 4.078 1.00 0.00 H new ATOM 0 HA LEU A 21 5.645 3.327 1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.403 1.662 3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.140 2.108 4.180 1.00 0.00 H new ATOM 0 HG LEU A 21 3.416 1.340 2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.119 0.039 0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.687 1.722 0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.820 0.425 0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.929 -1.093 2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.624 -0.697 3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.331 -0.221 4.272 1.00 0.00 H new ATOM 318 N ALA A 22 3.175 4.174 3.409 1.00 0.00 N ATOM 319 CA ALA A 22 1.789 4.617 3.408 1.00 0.00 C ATOM 320 C ALA A 22 1.637 5.852 2.528 1.00 0.00 C ATOM 321 O ALA A 22 0.649 5.979 1.805 1.00 0.00 O ATOM 322 CB ALA A 22 1.320 4.920 4.833 1.00 0.00 C ATOM 0 H ALA A 22 3.616 4.166 4.329 1.00 0.00 H new ATOM 0 HA ALA A 22 1.168 3.817 3.005 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.281 5.250 4.812 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.403 4.020 5.442 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.942 5.706 5.261 1.00 0.00 H new ATOM 328 N GLY A 23 2.606 6.750 2.566 1.00 0.00 N ATOM 329 CA GLY A 23 2.552 7.952 1.740 1.00 0.00 C ATOM 330 C GLY A 23 2.691 7.626 0.258 1.00 0.00 C ATOM 331 O GLY A 23 1.943 8.160 -0.561 1.00 0.00 O ATOM 0 H GLY A 23 3.436 6.674 3.154 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.608 8.469 1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.348 8.634 2.038 1.00 0.00 H new ATOM 335 N GLU A 24 3.636 6.764 -0.106 1.00 0.00 N ATOM 336 CA GLU A 24 3.800 6.435 -1.517 1.00 0.00 C ATOM 337 C GLU A 24 2.562 5.709 -2.039 1.00 0.00 C ATOM 338 O GLU A 24 2.117 5.958 -3.160 1.00 0.00 O ATOM 339 CB GLU A 24 5.065 5.579 -1.730 1.00 0.00 C ATOM 340 CG GLU A 24 5.591 5.773 -3.158 1.00 0.00 C ATOM 341 CD GLU A 24 4.544 5.326 -4.173 1.00 0.00 C ATOM 342 OE1 GLU A 24 3.824 4.389 -3.877 1.00 0.00 O ATOM 343 OE2 GLU A 24 4.478 5.929 -5.231 1.00 0.00 O ATOM 0 H GLU A 24 4.279 6.295 0.532 1.00 0.00 H new ATOM 0 HA GLU A 24 3.918 7.362 -2.079 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.832 5.862 -1.009 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.837 4.527 -1.557 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.841 6.821 -3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.508 5.201 -3.296 1.00 0.00 H new ATOM 350 N LEU A 25 2.015 4.806 -1.234 1.00 0.00 N ATOM 351 CA LEU A 25 0.839 4.055 -1.658 1.00 0.00 C ATOM 352 C LEU A 25 -0.371 4.955 -1.874 1.00 0.00 C ATOM 353 O LEU A 25 -1.112 4.787 -2.844 1.00 0.00 O ATOM 354 CB LEU A 25 0.481 2.964 -0.643 1.00 0.00 C ATOM 355 CG LEU A 25 1.532 1.843 -0.666 1.00 0.00 C ATOM 356 CD1 LEU A 25 1.263 0.892 0.504 1.00 0.00 C ATOM 357 CD2 LEU A 25 1.469 1.055 -1.996 1.00 0.00 C ATOM 0 H LEU A 25 2.359 4.578 -0.301 1.00 0.00 H new ATOM 0 HA LEU A 25 1.099 3.593 -2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.421 3.394 0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.502 2.554 -0.873 1.00 0.00 H new ATOM 0 HG LEU A 25 2.524 2.285 -0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.002 0.091 0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.330 1.442 1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.265 0.465 0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.222 0.267 -1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.480 0.610 -2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.660 1.731 -2.829 1.00 0.00 H new ATOM 369 N SER A 26 -0.577 5.899 -0.971 1.00 0.00 N ATOM 370 CA SER A 26 -1.712 6.802 -1.084 1.00 0.00 C ATOM 371 C SER A 26 -1.644 7.615 -2.370 1.00 0.00 C ATOM 372 O SER A 26 -2.641 7.738 -3.081 1.00 0.00 O ATOM 373 CB SER A 26 -1.737 7.747 0.118 1.00 0.00 C ATOM 374 OG SER A 26 -1.890 6.986 1.309 1.00 0.00 O ATOM 0 H SER A 26 0.019 6.060 -0.159 1.00 0.00 H new ATOM 0 HA SER A 26 -2.623 6.204 -1.106 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.815 8.327 0.159 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.557 8.458 0.019 1.00 0.00 H new ATOM 0 HG SER A 26 -1.029 6.589 1.556 1.00 0.00 H new ATOM 380 N ARG A 27 -0.473 8.168 -2.677 1.00 0.00 N ATOM 381 CA ARG A 27 -0.336 8.951 -3.895 1.00 0.00 C ATOM 382 C ARG A 27 -0.660 8.077 -5.105 1.00 0.00 C ATOM 383 O ARG A 27 -1.349 8.510 -6.025 1.00 0.00 O ATOM 384 CB ARG A 27 1.079 9.526 -4.014 1.00 0.00 C ATOM 385 CG ARG A 27 1.275 10.613 -2.954 1.00 0.00 C ATOM 386 CD ARG A 27 2.674 11.218 -3.085 1.00 0.00 C ATOM 387 NE ARG A 27 2.885 12.220 -2.046 1.00 0.00 N ATOM 388 CZ ARG A 27 4.040 12.867 -1.932 1.00 0.00 C ATOM 389 NH1 ARG A 27 4.764 13.105 -2.992 1.00 0.00 N ATOM 390 NH2 ARG A 27 4.451 13.266 -0.760 1.00 0.00 N ATOM 0 H ARG A 27 0.373 8.090 -2.113 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.036 9.785 -3.858 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.817 8.735 -3.881 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.232 9.941 -5.010 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.520 11.390 -3.073 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.143 10.190 -1.958 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.427 10.434 -3.004 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.792 11.672 -4.069 1.00 0.00 H new ATOM 0 HE ARG A 27 2.130 12.428 -1.393 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.443 12.794 -3.909 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.650 13.602 -2.903 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.886 13.081 0.069 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.338 13.763 -0.672 1.00 0.00 H new ATOM 404 N ARG A 28 -0.184 6.838 -5.091 1.00 0.00 N ATOM 405 CA ARG A 28 -0.461 5.916 -6.189 1.00 0.00 C ATOM 406 C ARG A 28 -1.963 5.666 -6.312 1.00 0.00 C ATOM 407 O ARG A 28 -2.504 5.576 -7.414 1.00 0.00 O ATOM 408 CB ARG A 28 0.272 4.587 -5.956 1.00 0.00 C ATOM 409 CG ARG A 28 1.795 4.769 -6.112 1.00 0.00 C ATOM 410 CD ARG A 28 2.205 4.749 -7.594 1.00 0.00 C ATOM 411 NE ARG A 28 1.832 3.476 -8.200 1.00 0.00 N ATOM 412 CZ ARG A 28 2.092 3.217 -9.478 1.00 0.00 C ATOM 413 NH1 ARG A 28 2.339 4.195 -10.307 1.00 0.00 N ATOM 414 NH2 ARG A 28 2.103 1.984 -9.904 1.00 0.00 N ATOM 0 H ARG A 28 0.389 6.450 -4.342 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.105 6.364 -7.117 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.046 4.212 -4.958 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.084 3.840 -6.666 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.100 5.713 -5.660 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.316 3.976 -5.576 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.721 5.569 -8.124 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.280 4.902 -7.684 1.00 0.00 H new ATOM 0 HE ARG A 28 1.362 2.771 -7.632 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.333 5.159 -9.975 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.538 3.995 -11.287 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.912 1.219 -9.257 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.302 1.785 -10.884 1.00 0.00 H new ATOM 428 N ILE A 29 -2.620 5.537 -5.163 1.00 0.00 N ATOM 429 CA ILE A 29 -4.058 5.278 -5.126 1.00 0.00 C ATOM 430 C ILE A 29 -4.865 6.445 -5.700 1.00 0.00 C ATOM 431 O ILE A 29 -5.780 6.247 -6.499 1.00 0.00 O ATOM 432 CB ILE A 29 -4.489 4.997 -3.671 1.00 0.00 C ATOM 433 CG1 ILE A 29 -3.903 3.639 -3.201 1.00 0.00 C ATOM 434 CG2 ILE A 29 -6.026 4.987 -3.562 1.00 0.00 C ATOM 435 CD1 ILE A 29 -4.807 2.461 -3.611 1.00 0.00 C ATOM 0 H ILE A 29 -2.181 5.607 -4.245 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.262 4.407 -5.749 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.104 5.788 -3.027 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.910 3.503 -3.629 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.785 3.648 -2.117 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.316 4.788 -2.530 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.419 5.956 -3.869 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.432 4.210 -4.210 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.366 1.526 -3.265 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.792 2.585 -3.162 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.904 2.437 -4.696 1.00 0.00 H new ATOM 447 N GLN A 30 -4.520 7.652 -5.280 1.00 0.00 N ATOM 448 CA GLN A 30 -5.212 8.852 -5.745 1.00 0.00 C ATOM 449 C GLN A 30 -5.072 9.031 -7.250 1.00 0.00 C ATOM 450 O GLN A 30 -6.052 9.363 -7.918 1.00 0.00 O ATOM 451 CB GLN A 30 -4.673 10.080 -5.001 1.00 0.00 C ATOM 452 CG GLN A 30 -5.436 11.343 -5.418 1.00 0.00 C ATOM 453 CD GLN A 30 -4.878 12.547 -4.663 1.00 0.00 C ATOM 454 OE1 GLN A 30 -4.335 12.396 -3.568 1.00 0.00 O ATOM 455 NE2 GLN A 30 -4.977 13.738 -5.185 1.00 0.00 N ATOM 0 H GLN A 30 -3.765 7.831 -4.618 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.275 8.740 -5.530 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.767 9.930 -3.925 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.611 10.203 -5.214 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.343 11.499 -6.493 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.498 11.226 -5.204 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.427 13.862 -6.092 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.604 14.546 -4.686 1.00 0.00 H new ATOM 464 N TYR A 31 -3.883 8.812 -7.810 1.00 0.00 N ATOM 465 CA TYR A 31 -3.707 8.961 -9.246 1.00 0.00 C ATOM 466 C TYR A 31 -4.522 7.893 -9.980 1.00 0.00 C ATOM 467 O TYR A 31 -5.102 8.156 -11.035 1.00 0.00 O ATOM 468 CB TYR A 31 -2.220 8.851 -9.627 1.00 0.00 C ATOM 469 CG TYR A 31 -1.514 10.175 -9.384 1.00 0.00 C ATOM 470 CD1 TYR A 31 -1.548 10.771 -8.117 1.00 0.00 C ATOM 471 CD2 TYR A 31 -0.812 10.800 -10.427 1.00 0.00 C ATOM 472 CE1 TYR A 31 -0.885 11.983 -7.892 1.00 0.00 C ATOM 473 CE2 TYR A 31 -0.151 12.013 -10.200 1.00 0.00 C ATOM 474 CZ TYR A 31 -0.187 12.604 -8.933 1.00 0.00 C ATOM 475 OH TYR A 31 0.467 13.799 -8.710 1.00 0.00 O ATOM 0 H TYR A 31 -3.044 8.536 -7.299 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.062 9.949 -9.541 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.745 8.065 -9.041 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.126 8.568 -10.675 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.087 10.294 -7.312 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.782 10.344 -11.406 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -0.912 12.439 -6.913 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.387 12.493 -11.004 1.00 0.00 H new ATOM 0 HH TYR A 31 0.902 14.093 -9.537 1.00 0.00 H new ATOM 485 N ALA A 32 -4.553 6.687 -9.424 1.00 0.00 N ATOM 486 CA ALA A 32 -5.285 5.582 -10.038 1.00 0.00 C ATOM 487 C ALA A 32 -6.800 5.768 -9.932 1.00 0.00 C ATOM 488 O ALA A 32 -7.547 5.397 -10.836 1.00 0.00 O ATOM 489 CB ALA A 32 -4.882 4.270 -9.353 1.00 0.00 C ATOM 0 H ALA A 32 -4.082 6.449 -8.551 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.029 5.556 -11.097 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.425 3.441 -9.807 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.810 4.111 -9.473 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.124 4.324 -8.292 1.00 0.00 H new ATOM 495 N PHE A 33 -7.239 6.326 -8.804 1.00 0.00 N ATOM 496 CA PHE A 33 -8.669 6.544 -8.551 1.00 0.00 C ATOM 497 C PHE A 33 -8.966 8.028 -8.325 1.00 0.00 C ATOM 498 O PHE A 33 -8.966 8.497 -7.187 1.00 0.00 O ATOM 499 CB PHE A 33 -9.082 5.747 -7.313 1.00 0.00 C ATOM 500 CG PHE A 33 -8.955 4.273 -7.617 1.00 0.00 C ATOM 501 CD1 PHE A 33 -10.023 3.584 -8.205 1.00 0.00 C ATOM 502 CD2 PHE A 33 -7.766 3.597 -7.319 1.00 0.00 C ATOM 503 CE1 PHE A 33 -9.903 2.219 -8.492 1.00 0.00 C ATOM 504 CE2 PHE A 33 -7.646 2.232 -7.605 1.00 0.00 C ATOM 505 CZ PHE A 33 -8.715 1.543 -8.192 1.00 0.00 C ATOM 0 H PHE A 33 -6.627 6.636 -8.049 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.234 6.211 -9.422 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.451 6.013 -6.465 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.108 5.988 -7.034 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -10.940 4.106 -8.437 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.941 4.129 -6.868 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -10.727 1.688 -8.945 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.729 1.710 -7.373 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.622 0.490 -8.413 1.00 0.00 H new ATOM 515 N PRO A 34 -9.214 8.776 -9.377 1.00 0.00 N ATOM 516 CA PRO A 34 -9.510 10.232 -9.264 1.00 0.00 C ATOM 517 C PRO A 34 -10.907 10.541 -8.703 1.00 0.00 C ATOM 518 O PRO A 34 -11.141 11.602 -8.124 1.00 0.00 O ATOM 519 CB PRO A 34 -9.380 10.766 -10.721 1.00 0.00 C ATOM 520 CG PRO A 34 -8.991 9.595 -11.588 1.00 0.00 C ATOM 521 CD PRO A 34 -9.236 8.322 -10.776 1.00 0.00 C ATOM 0 HA PRO A 34 -8.826 10.704 -8.559 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.322 11.199 -11.058 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.629 11.554 -10.777 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -9.580 9.584 -12.505 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.944 9.667 -11.882 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.192 7.865 -11.031 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.465 7.575 -10.964 1.00 0.00 H new ATOM 529 N ASP A 35 -11.836 9.613 -8.941 1.00 0.00 N ATOM 530 CA ASP A 35 -13.236 9.783 -8.528 1.00 0.00 C ATOM 531 C ASP A 35 -13.574 9.185 -7.154 1.00 0.00 C ATOM 532 O ASP A 35 -14.690 9.401 -6.679 1.00 0.00 O ATOM 533 CB ASP A 35 -14.146 9.115 -9.567 1.00 0.00 C ATOM 534 CG ASP A 35 -14.132 9.906 -10.871 1.00 0.00 C ATOM 535 OD1 ASP A 35 -13.935 11.108 -10.811 1.00 0.00 O ATOM 536 OD2 ASP A 35 -14.322 9.295 -11.910 1.00 0.00 O ATOM 0 H ASP A 35 -11.646 8.732 -9.419 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.396 10.859 -8.455 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.812 8.094 -9.750 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -15.164 9.053 -9.182 1.00 0.00 H new ATOM 541 N ASN A 36 -12.684 8.403 -6.529 1.00 0.00 N ATOM 542 CA ASN A 36 -13.030 7.768 -5.236 1.00 0.00 C ATOM 543 C ASN A 36 -12.024 8.062 -4.132 1.00 0.00 C ATOM 544 O ASN A 36 -10.824 7.881 -4.337 1.00 0.00 O ATOM 545 CB ASN A 36 -13.051 6.249 -5.443 1.00 0.00 C ATOM 546 CG ASN A 36 -14.234 5.856 -6.323 1.00 0.00 C ATOM 547 OD1 ASN A 36 -15.226 6.581 -6.392 1.00 0.00 O ATOM 548 ND2 ASN A 36 -14.184 4.745 -7.004 1.00 0.00 N ATOM 0 H ASN A 36 -11.748 8.195 -6.877 1.00 0.00 H new ATOM 0 HA ASN A 36 -13.994 8.172 -4.927 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -12.119 5.924 -5.906 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -13.121 5.744 -4.480 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -14.969 4.474 -7.597 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -13.360 4.147 -6.944 1.00 0.00 H new ATOM 555 N GLU A 37 -12.480 8.469 -2.957 1.00 0.00 N ATOM 556 CA GLU A 37 -11.579 8.721 -1.843 1.00 0.00 C ATOM 557 C GLU A 37 -10.884 7.435 -1.390 1.00 0.00 C ATOM 558 O GLU A 37 -11.543 6.466 -1.014 1.00 0.00 O ATOM 559 CB GLU A 37 -12.459 9.205 -0.672 1.00 0.00 C ATOM 560 CG GLU A 37 -11.629 9.473 0.602 1.00 0.00 C ATOM 561 CD GLU A 37 -12.556 9.946 1.716 1.00 0.00 C ATOM 562 OE1 GLU A 37 -13.671 9.456 1.781 1.00 0.00 O ATOM 563 OE2 GLU A 37 -12.136 10.793 2.487 1.00 0.00 O ATOM 0 H GLU A 37 -13.466 8.631 -2.751 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.819 9.444 -2.142 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.981 10.117 -0.963 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.221 8.456 -0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.107 8.566 0.908 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.867 10.227 0.402 1.00 0.00 H new ATOM 570 N GLY A 38 -9.558 7.447 -1.392 1.00 0.00 N ATOM 571 CA GLY A 38 -8.805 6.270 -0.932 1.00 0.00 C ATOM 572 C GLY A 38 -8.078 6.518 0.381 1.00 0.00 C ATOM 573 O GLY A 38 -7.296 7.466 0.459 1.00 0.00 O ATOM 0 H GLY A 38 -8.985 8.234 -1.697 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.489 5.430 -0.811 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.081 5.985 -1.696 1.00 0.00 H new ATOM 577 N HIS A 39 -8.284 5.680 1.408 1.00 0.00 N ATOM 578 CA HIS A 39 -7.571 5.865 2.681 1.00 0.00 C ATOM 579 C HIS A 39 -6.674 4.655 2.896 1.00 0.00 C ATOM 580 O HIS A 39 -7.158 3.522 2.889 1.00 0.00 O ATOM 581 CB HIS A 39 -8.567 5.976 3.837 1.00 0.00 C ATOM 582 CG HIS A 39 -9.313 7.278 3.732 1.00 0.00 C ATOM 583 ND1 HIS A 39 -8.695 8.501 3.937 1.00 0.00 N ATOM 584 CD2 HIS A 39 -10.624 7.563 3.447 1.00 0.00 C ATOM 585 CE1 HIS A 39 -9.625 9.457 3.773 1.00 0.00 C ATOM 586 NE2 HIS A 39 -10.819 8.941 3.473 1.00 0.00 N ATOM 0 H HIS A 39 -8.923 4.885 1.385 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.981 6.781 2.647 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.266 5.140 3.810 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.042 5.921 4.790 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -7.713 8.649 4.170 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.388 6.830 3.235 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.430 10.515 3.872 1.00 0.00 H new ATOM 594 N VAL A 40 -5.373 4.875 3.054 1.00 0.00 N ATOM 595 CA VAL A 40 -4.434 3.776 3.228 1.00 0.00 C ATOM 596 C VAL A 40 -3.849 3.780 4.630 1.00 0.00 C ATOM 597 O VAL A 40 -3.354 4.804 5.100 1.00 0.00 O ATOM 598 CB VAL A 40 -3.314 3.921 2.202 1.00 0.00 C ATOM 599 CG1 VAL A 40 -2.327 2.768 2.365 1.00 0.00 C ATOM 600 CG2 VAL A 40 -3.910 3.896 0.785 1.00 0.00 C ATOM 0 H VAL A 40 -4.947 5.802 3.065 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.959 2.832 3.083 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.795 4.867 2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.526 2.869 1.633 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.905 2.789 3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.844 1.821 2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.110 4.000 0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.429 2.951 0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.615 4.720 0.672 1.00 0.00 H new ATOM 610 N SER A 41 -3.891 2.622 5.284 1.00 0.00 N ATOM 611 CA SER A 41 -3.337 2.489 6.635 1.00 0.00 C ATOM 612 C SER A 41 -2.332 1.351 6.674 1.00 0.00 C ATOM 613 O SER A 41 -2.550 0.295 6.080 1.00 0.00 O ATOM 614 CB SER A 41 -4.449 2.258 7.658 1.00 0.00 C ATOM 615 OG SER A 41 -5.298 3.400 7.695 1.00 0.00 O ATOM 0 H SER A 41 -4.299 1.767 4.907 1.00 0.00 H new ATOM 0 HA SER A 41 -2.828 3.417 6.895 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.024 1.371 7.393 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.020 2.077 8.644 1.00 0.00 H new ATOM 0 HG SER A 41 -6.013 3.255 8.349 1.00 0.00 H new ATOM 621 N VAL A 42 -1.236 1.571 7.397 1.00 0.00 N ATOM 622 CA VAL A 42 -0.199 0.549 7.537 1.00 0.00 C ATOM 623 C VAL A 42 0.117 0.358 9.014 1.00 0.00 C ATOM 624 O VAL A 42 0.421 1.316 9.724 1.00 0.00 O ATOM 625 CB VAL A 42 1.071 0.948 6.774 1.00 0.00 C ATOM 626 CG1 VAL A 42 2.102 -0.180 6.873 1.00 0.00 C ATOM 627 CG2 VAL A 42 0.743 1.224 5.298 1.00 0.00 C ATOM 0 H VAL A 42 -1.043 2.441 7.892 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.565 -0.386 7.114 1.00 0.00 H new ATOM 0 HB VAL A 42 1.480 1.856 7.217 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.004 0.103 6.331 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.348 -0.357 7.920 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.688 -1.090 6.439 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.654 1.506 4.769 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.323 0.326 4.844 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.019 2.036 5.232 1.00 0.00 H new ATOM 637 N ARG A 43 0.039 -0.896 9.475 1.00 0.00 N ATOM 638 CA ARG A 43 0.315 -1.202 10.879 1.00 0.00 C ATOM 639 C ARG A 43 0.950 -2.579 11.000 1.00 0.00 C ATOM 640 O ARG A 43 0.815 -3.408 10.102 1.00 0.00 O ATOM 641 CB ARG A 43 -0.982 -1.175 11.692 1.00 0.00 C ATOM 642 CG ARG A 43 -1.789 0.074 11.343 1.00 0.00 C ATOM 643 CD ARG A 43 -2.994 0.179 12.281 1.00 0.00 C ATOM 644 NE ARG A 43 -3.802 1.345 11.946 1.00 0.00 N ATOM 645 CZ ARG A 43 -4.799 1.739 12.733 1.00 0.00 C ATOM 646 NH1 ARG A 43 -5.423 0.870 13.481 1.00 0.00 N ATOM 647 NH2 ARG A 43 -5.154 2.995 12.759 1.00 0.00 N ATOM 0 H ARG A 43 -0.210 -1.704 8.904 1.00 0.00 H new ATOM 0 HA ARG A 43 1.001 -0.449 11.266 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.570 -2.069 11.484 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.754 -1.185 12.758 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.164 0.962 11.435 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.124 0.026 10.307 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.600 -0.724 12.207 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.653 0.250 13.314 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.599 1.867 11.094 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.146 -0.111 13.462 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.188 1.172 14.085 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.667 3.675 12.175 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.919 3.296 13.363 1.00 0.00 H new ATOM 661 N TYR A 44 1.617 -2.840 12.116 1.00 0.00 N ATOM 662 CA TYR A 44 2.226 -4.148 12.319 1.00 0.00 C ATOM 663 C TYR A 44 1.192 -5.118 12.881 1.00 0.00 C ATOM 664 O TYR A 44 0.365 -4.750 13.714 1.00 0.00 O ATOM 665 CB TYR A 44 3.397 -4.098 13.290 1.00 0.00 C ATOM 666 CG TYR A 44 4.495 -3.217 12.768 1.00 0.00 C ATOM 667 CD1 TYR A 44 5.500 -3.772 11.976 1.00 0.00 C ATOM 668 CD2 TYR A 44 4.515 -1.858 13.085 1.00 0.00 C ATOM 669 CE1 TYR A 44 6.537 -2.968 11.496 1.00 0.00 C ATOM 670 CE2 TYR A 44 5.552 -1.050 12.614 1.00 0.00 C ATOM 671 CZ TYR A 44 6.566 -1.604 11.818 1.00 0.00 C ATOM 672 OH TYR A 44 7.598 -0.814 11.358 1.00 0.00 O ATOM 0 H TYR A 44 1.749 -2.178 12.881 1.00 0.00 H new ATOM 0 HA TYR A 44 2.592 -4.478 11.347 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.056 -3.726 14.256 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.781 -5.105 13.453 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.477 -4.824 11.734 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.730 -1.432 13.693 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.313 -3.396 10.879 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.574 0.001 12.862 1.00 0.00 H new ATOM 0 HH TYR A 44 7.924 -1.167 10.504 1.00 0.00 H new ATOM 682 N ALA A 45 1.254 -6.368 12.418 1.00 0.00 N ATOM 683 CA ALA A 45 0.338 -7.415 12.866 1.00 0.00 C ATOM 684 C ALA A 45 1.111 -8.724 13.004 1.00 0.00 C ATOM 685 O ALA A 45 2.234 -8.834 12.514 1.00 0.00 O ATOM 686 CB ALA A 45 -0.798 -7.584 11.854 1.00 0.00 C ATOM 0 H ALA A 45 1.936 -6.680 11.727 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.091 -7.139 13.829 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.476 -8.366 12.195 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.344 -6.646 11.760 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.384 -7.861 10.885 1.00 0.00 H new ATOM 692 N ALA A 46 0.529 -9.714 13.672 1.00 0.00 N ATOM 693 CA ALA A 46 1.224 -10.986 13.844 1.00 0.00 C ATOM 694 C ALA A 46 1.556 -11.593 12.483 1.00 0.00 C ATOM 695 O ALA A 46 2.491 -12.385 12.368 1.00 0.00 O ATOM 696 CB ALA A 46 0.392 -11.962 14.677 1.00 0.00 C ATOM 0 H ALA A 46 -0.398 -9.665 14.094 1.00 0.00 H new ATOM 0 HA ALA A 46 2.153 -10.796 14.382 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.935 -12.900 14.788 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.205 -11.532 15.661 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.558 -12.150 14.176 1.00 0.00 H new ATOM 702 N ALA A 47 0.773 -11.254 11.453 1.00 0.00 N ATOM 703 CA ALA A 47 0.999 -11.823 10.118 1.00 0.00 C ATOM 704 C ALA A 47 0.817 -10.790 9.006 1.00 0.00 C ATOM 705 O ALA A 47 0.003 -9.874 9.122 1.00 0.00 O ATOM 706 CB ALA A 47 0.040 -12.996 9.890 1.00 0.00 C ATOM 0 H ALA A 47 -0.009 -10.601 11.514 1.00 0.00 H new ATOM 0 HA ALA A 47 2.033 -12.165 10.080 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.209 -13.417 8.899 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.217 -13.762 10.645 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.989 -12.644 9.964 1.00 0.00 H new ATOM 712 N ASN A 48 1.542 -10.983 7.903 1.00 0.00 N ATOM 713 CA ASN A 48 1.411 -10.102 6.746 1.00 0.00 C ATOM 714 C ASN A 48 0.057 -10.375 6.095 1.00 0.00 C ATOM 715 O ASN A 48 -0.262 -11.523 5.791 1.00 0.00 O ATOM 716 CB ASN A 48 2.534 -10.386 5.748 1.00 0.00 C ATOM 717 CG ASN A 48 2.553 -11.867 5.387 1.00 0.00 C ATOM 718 OD1 ASN A 48 1.803 -12.657 5.963 1.00 0.00 O ATOM 719 ND2 ASN A 48 3.372 -12.294 4.467 1.00 0.00 N ATOM 0 H ASN A 48 2.220 -11.736 7.788 1.00 0.00 H new ATOM 0 HA ASN A 48 1.478 -9.059 7.055 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.392 -9.786 4.849 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.493 -10.096 6.176 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.393 -13.284 4.222 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.992 -11.638 3.992 1.00 0.00 H new ATOM 726 N ASN A 49 -0.734 -9.329 5.875 1.00 0.00 N ATOM 727 CA ASN A 49 -2.051 -9.482 5.254 1.00 0.00 C ATOM 728 C ASN A 49 -2.453 -8.208 4.513 1.00 0.00 C ATOM 729 O ASN A 49 -2.072 -7.105 4.905 1.00 0.00 O ATOM 730 CB ASN A 49 -3.102 -9.795 6.324 1.00 0.00 C ATOM 731 CG ASN A 49 -2.746 -11.088 7.049 1.00 0.00 C ATOM 732 OD1 ASN A 49 -2.494 -12.166 6.357 1.00 0.00 O flip ATOM 733 ND2 ASN A 49 -2.711 -11.122 8.279 1.00 0.00 N flip ATOM 0 H ASN A 49 -0.490 -8.368 6.116 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.995 -10.304 4.540 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.161 -8.973 7.038 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.085 -9.887 5.863 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.908 -10.279 8.818 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.485 -11.993 8.759 1.00 0.00 H new ATOM 740 N LEU A 50 -3.257 -8.365 3.459 1.00 0.00 N ATOM 741 CA LEU A 50 -3.756 -7.229 2.677 1.00 0.00 C ATOM 742 C LEU A 50 -5.277 -7.345 2.637 1.00 0.00 C ATOM 743 O LEU A 50 -5.803 -8.360 2.177 1.00 0.00 O ATOM 744 CB LEU A 50 -3.197 -7.284 1.248 1.00 0.00 C ATOM 745 CG LEU A 50 -3.622 -6.027 0.458 1.00 0.00 C ATOM 746 CD1 LEU A 50 -2.839 -4.795 0.934 1.00 0.00 C ATOM 747 CD2 LEU A 50 -3.365 -6.245 -1.041 1.00 0.00 C ATOM 0 H LEU A 50 -3.579 -9.274 3.125 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.445 -6.286 3.128 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.110 -7.353 1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.559 -8.179 0.743 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.685 -5.856 0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.154 -3.921 0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.034 -4.627 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.772 -4.961 0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.666 -5.356 -1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.304 -6.432 -1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.942 -7.102 -1.388 1.00 0.00 H new ATOM 759 N SER A 51 -5.987 -6.317 3.098 1.00 0.00 N ATOM 760 CA SER A 51 -7.454 -6.335 3.082 1.00 0.00 C ATOM 761 C SER A 51 -7.983 -5.129 2.301 1.00 0.00 C ATOM 762 O SER A 51 -7.589 -3.994 2.569 1.00 0.00 O ATOM 763 CB SER A 51 -7.968 -6.277 4.525 1.00 0.00 C ATOM 764 OG SER A 51 -7.184 -5.352 5.262 1.00 0.00 O ATOM 0 H SER A 51 -5.578 -5.467 3.485 1.00 0.00 H new ATOM 0 HA SER A 51 -7.802 -7.249 2.600 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.016 -5.976 4.539 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.914 -7.265 4.983 1.00 0.00 H new ATOM 0 HG SER A 51 -7.510 -5.310 6.185 1.00 0.00 H new ATOM 770 N VAL A 52 -8.890 -5.374 1.351 1.00 0.00 N ATOM 771 CA VAL A 52 -9.488 -4.295 0.553 1.00 0.00 C ATOM 772 C VAL A 52 -11.003 -4.326 0.724 1.00 0.00 C ATOM 773 O VAL A 52 -11.636 -5.352 0.479 1.00 0.00 O ATOM 774 CB VAL A 52 -9.126 -4.471 -0.925 1.00 0.00 C ATOM 775 CG1 VAL A 52 -9.836 -3.401 -1.759 1.00 0.00 C ATOM 776 CG2 VAL A 52 -7.604 -4.356 -1.105 1.00 0.00 C ATOM 0 H VAL A 52 -9.227 -6.307 1.115 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.101 -3.335 0.895 1.00 0.00 H new ATOM 0 HB VAL A 52 -9.448 -5.457 -1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.577 -3.528 -2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.915 -3.500 -1.636 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.522 -2.412 -1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.352 -4.482 -2.158 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.271 -3.375 -0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.109 -5.130 -0.518 1.00 0.00 H new ATOM 786 N ILE A 53 -11.588 -3.199 1.144 1.00 0.00 N ATOM 787 CA ILE A 53 -13.040 -3.116 1.340 1.00 0.00 C ATOM 788 C ILE A 53 -13.648 -2.029 0.451 1.00 0.00 C ATOM 789 O ILE A 53 -13.203 -0.881 0.473 1.00 0.00 O ATOM 790 CB ILE A 53 -13.352 -2.775 2.804 1.00 0.00 C ATOM 791 CG1 ILE A 53 -12.756 -3.834 3.756 1.00 0.00 C ATOM 792 CG2 ILE A 53 -14.869 -2.732 2.993 1.00 0.00 C ATOM 793 CD1 ILE A 53 -11.221 -3.719 3.833 1.00 0.00 C ATOM 0 H ILE A 53 -11.083 -2.338 1.353 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.469 -4.083 1.076 1.00 0.00 H new ATOM 0 HB ILE A 53 -12.909 -1.807 3.039 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.182 -3.712 4.752 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.031 -4.831 3.412 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -15.100 -2.490 4.031 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.296 -1.971 2.340 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.294 -3.704 2.744 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -10.833 -4.479 4.511 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.795 -3.867 2.841 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -10.948 -2.730 4.201 1.00 0.00 H new ATOM 805 N GLY A 54 -14.692 -2.383 -0.303 1.00 0.00 N ATOM 806 CA GLY A 54 -15.380 -1.411 -1.160 1.00 0.00 C ATOM 807 C GLY A 54 -14.836 -1.393 -2.588 1.00 0.00 C ATOM 808 O GLY A 54 -15.075 -0.435 -3.324 1.00 0.00 O ATOM 0 H GLY A 54 -15.078 -3.327 -0.339 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.445 -1.644 -1.184 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.281 -0.416 -0.726 1.00 0.00 H new ATOM 812 N ALA A 55 -14.086 -2.427 -2.979 1.00 0.00 N ATOM 813 CA ALA A 55 -13.499 -2.472 -4.328 1.00 0.00 C ATOM 814 C ALA A 55 -13.917 -3.727 -5.088 1.00 0.00 C ATOM 815 O ALA A 55 -14.344 -4.726 -4.508 1.00 0.00 O ATOM 816 CB ALA A 55 -11.969 -2.409 -4.229 1.00 0.00 C ATOM 0 H ALA A 55 -13.871 -3.234 -2.394 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.871 -1.610 -4.882 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.538 -2.443 -5.230 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.674 -1.482 -3.738 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.607 -3.258 -3.649 1.00 0.00 H new ATOM 822 N THR A 56 -13.733 -3.654 -6.405 1.00 0.00 N ATOM 823 CA THR A 56 -14.010 -4.741 -7.333 1.00 0.00 C ATOM 824 C THR A 56 -12.762 -5.595 -7.508 1.00 0.00 C ATOM 825 O THR A 56 -11.646 -5.158 -7.221 1.00 0.00 O ATOM 826 CB THR A 56 -14.400 -4.140 -8.686 1.00 0.00 C ATOM 827 OG1 THR A 56 -13.340 -3.326 -9.166 1.00 0.00 O ATOM 828 CG2 THR A 56 -15.663 -3.294 -8.517 1.00 0.00 C ATOM 0 H THR A 56 -13.378 -2.815 -6.864 1.00 0.00 H new ATOM 0 HA THR A 56 -14.819 -5.360 -6.946 1.00 0.00 H new ATOM 0 HB THR A 56 -14.591 -4.940 -9.401 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.575 -2.382 -9.052 1.00 0.00 H new ATOM 0 HG21 THR A 56 -15.944 -2.864 -9.478 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.475 -3.921 -8.149 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.471 -2.493 -7.803 1.00 0.00 H new ATOM 836 N LYS A 57 -12.972 -6.840 -7.929 1.00 0.00 N ATOM 837 CA LYS A 57 -11.872 -7.795 -8.082 1.00 0.00 C ATOM 838 C LYS A 57 -10.803 -7.307 -9.059 1.00 0.00 C ATOM 839 O LYS A 57 -9.611 -7.470 -8.795 1.00 0.00 O ATOM 840 CB LYS A 57 -12.416 -9.164 -8.553 1.00 0.00 C ATOM 841 CG LYS A 57 -11.281 -10.193 -8.724 1.00 0.00 C ATOM 842 CD LYS A 57 -11.886 -11.520 -9.190 1.00 0.00 C ATOM 843 CE LYS A 57 -10.769 -12.524 -9.480 1.00 0.00 C ATOM 844 NZ LYS A 57 -10.227 -13.047 -8.193 1.00 0.00 N ATOM 0 H LYS A 57 -13.890 -7.213 -8.170 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.402 -7.895 -7.104 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.141 -9.537 -7.830 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.943 -9.041 -9.499 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.552 -9.834 -9.451 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.750 -10.330 -7.782 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.553 -11.915 -8.424 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.487 -11.362 -10.085 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.151 -13.345 -10.087 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.975 -12.046 -10.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.515 -13.779 -8.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.787 -12.270 -7.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.000 -13.457 -7.632 1.00 0.00 H new ATOM 858 N GLU A 58 -11.201 -6.686 -10.164 1.00 0.00 N ATOM 859 CA GLU A 58 -10.225 -6.166 -11.121 1.00 0.00 C ATOM 860 C GLU A 58 -9.434 -5.023 -10.499 1.00 0.00 C ATOM 861 O GLU A 58 -8.227 -4.907 -10.715 1.00 0.00 O ATOM 862 CB GLU A 58 -10.937 -5.693 -12.397 1.00 0.00 C ATOM 863 CG GLU A 58 -11.321 -6.905 -13.262 1.00 0.00 C ATOM 864 CD GLU A 58 -12.110 -6.448 -14.484 1.00 0.00 C ATOM 865 OE1 GLU A 58 -12.211 -5.249 -14.686 1.00 0.00 O ATOM 866 OE2 GLU A 58 -12.603 -7.304 -15.200 1.00 0.00 O ATOM 0 H GLU A 58 -12.176 -6.531 -10.419 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.531 -6.964 -11.384 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.829 -5.124 -12.136 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.286 -5.025 -12.961 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.423 -7.436 -13.577 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.916 -7.606 -12.676 1.00 0.00 H new ATOM 873 N ASP A 59 -10.112 -4.193 -9.696 1.00 0.00 N ATOM 874 CA ASP A 59 -9.440 -3.090 -9.025 1.00 0.00 C ATOM 875 C ASP A 59 -8.409 -3.664 -8.068 1.00 0.00 C ATOM 876 O ASP A 59 -7.275 -3.192 -7.983 1.00 0.00 O ATOM 877 CB ASP A 59 -10.447 -2.239 -8.245 1.00 0.00 C ATOM 878 CG ASP A 59 -11.342 -1.466 -9.207 1.00 0.00 C ATOM 879 OD1 ASP A 59 -10.950 -1.306 -10.352 1.00 0.00 O ATOM 880 OD2 ASP A 59 -12.405 -1.045 -8.785 1.00 0.00 O ATOM 0 H ASP A 59 -11.110 -4.268 -9.501 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.958 -2.455 -9.768 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.055 -2.878 -7.605 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.918 -1.545 -7.592 1.00 0.00 H new ATOM 885 N LYS A 60 -8.834 -4.697 -7.349 1.00 0.00 N ATOM 886 CA LYS A 60 -7.964 -5.356 -6.386 1.00 0.00 C ATOM 887 C LYS A 60 -6.743 -5.962 -7.075 1.00 0.00 C ATOM 888 O LYS A 60 -5.633 -5.848 -6.557 1.00 0.00 O ATOM 889 CB LYS A 60 -8.741 -6.401 -5.577 1.00 0.00 C ATOM 890 CG LYS A 60 -7.817 -7.089 -4.565 1.00 0.00 C ATOM 891 CD LYS A 60 -8.627 -8.109 -3.758 1.00 0.00 C ATOM 892 CE LYS A 60 -7.685 -8.957 -2.900 1.00 0.00 C ATOM 893 NZ LYS A 60 -6.931 -8.074 -1.966 1.00 0.00 N ATOM 0 H LYS A 60 -9.771 -5.094 -7.415 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.598 -4.606 -5.685 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.570 -5.923 -5.055 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.172 -7.143 -6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.996 -7.586 -5.083 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.373 -6.350 -3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.348 -7.594 -3.123 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.196 -8.750 -4.431 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.255 -9.696 -2.337 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.992 -9.506 -3.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.476 -8.653 -1.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.204 -7.550 -2.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.586 -7.401 -1.519 1.00 0.00 H new ATOM 907 N GLN A 61 -6.910 -6.563 -8.251 1.00 0.00 N ATOM 908 CA GLN A 61 -5.754 -7.107 -8.955 1.00 0.00 C ATOM 909 C GLN A 61 -4.827 -5.955 -9.316 1.00 0.00 C ATOM 910 O GLN A 61 -3.612 -6.059 -9.154 1.00 0.00 O ATOM 911 CB GLN A 61 -6.197 -7.856 -10.217 1.00 0.00 C ATOM 912 CG GLN A 61 -4.972 -8.405 -10.954 1.00 0.00 C ATOM 913 CD GLN A 61 -5.418 -9.353 -12.063 1.00 0.00 C ATOM 914 OE1 GLN A 61 -6.589 -9.725 -12.128 1.00 0.00 O ATOM 915 NE2 GLN A 61 -4.551 -9.761 -12.951 1.00 0.00 N ATOM 0 H GLN A 61 -7.806 -6.683 -8.724 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.231 -7.817 -8.315 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.867 -8.673 -9.949 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.756 -7.186 -10.871 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -4.392 -7.584 -11.376 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.320 -8.929 -10.255 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.581 -9.452 -12.896 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.845 -10.389 -13.699 1.00 0.00 H new ATOM 924 N ARG A 62 -5.396 -4.849 -9.813 1.00 0.00 N ATOM 925 CA ARG A 62 -4.582 -3.701 -10.192 1.00 0.00 C ATOM 926 C ARG A 62 -3.815 -3.194 -8.974 1.00 0.00 C ATOM 927 O ARG A 62 -2.618 -2.917 -9.055 1.00 0.00 O ATOM 928 CB ARG A 62 -5.458 -2.590 -10.786 1.00 0.00 C ATOM 929 CG ARG A 62 -4.603 -1.369 -11.147 1.00 0.00 C ATOM 930 CD ARG A 62 -5.464 -0.353 -11.901 1.00 0.00 C ATOM 931 NE ARG A 62 -6.503 0.173 -11.023 1.00 0.00 N ATOM 932 CZ ARG A 62 -7.418 1.029 -11.470 1.00 0.00 C ATOM 933 NH1 ARG A 62 -7.901 0.898 -12.676 1.00 0.00 N ATOM 934 NH2 ARG A 62 -7.834 1.997 -10.702 1.00 0.00 N ATOM 0 H ARG A 62 -6.399 -4.731 -9.958 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.868 -4.007 -10.957 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.970 -2.958 -11.675 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.228 -2.304 -10.070 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.194 -0.917 -10.243 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.756 -1.673 -11.762 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.841 0.462 -12.268 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.918 -0.825 -12.772 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.529 -0.121 -10.047 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.577 0.139 -13.276 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.603 1.554 -13.018 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.458 2.098 -9.759 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.536 2.654 -11.044 1.00 0.00 H new ATOM 948 N ILE A 63 -4.505 -3.080 -7.846 1.00 0.00 N ATOM 949 CA ILE A 63 -3.856 -2.609 -6.628 1.00 0.00 C ATOM 950 C ILE A 63 -2.717 -3.543 -6.230 1.00 0.00 C ATOM 951 O ILE A 63 -1.627 -3.081 -5.893 1.00 0.00 O ATOM 952 CB ILE A 63 -4.864 -2.434 -5.492 1.00 0.00 C ATOM 953 CG1 ILE A 63 -5.771 -1.238 -5.803 1.00 0.00 C ATOM 954 CG2 ILE A 63 -4.139 -2.178 -4.163 1.00 0.00 C ATOM 955 CD1 ILE A 63 -6.999 -1.275 -4.891 1.00 0.00 C ATOM 0 H ILE A 63 -5.496 -3.302 -7.748 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.428 -1.627 -6.830 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.455 -3.346 -5.404 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.224 -0.306 -5.656 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.080 -1.265 -6.848 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.873 -2.056 -3.366 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.491 -3.024 -3.933 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.538 -1.272 -4.245 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.643 -0.424 -5.113 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.550 -2.201 -5.059 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.680 -1.227 -3.850 1.00 0.00 H new ATOM 967 N SER A 64 -2.944 -4.845 -6.300 1.00 0.00 N ATOM 968 CA SER A 64 -1.875 -5.777 -5.973 1.00 0.00 C ATOM 969 C SER A 64 -0.726 -5.511 -6.937 1.00 0.00 C ATOM 970 O SER A 64 0.432 -5.480 -6.518 1.00 0.00 O ATOM 971 CB SER A 64 -2.360 -7.221 -6.116 1.00 0.00 C ATOM 972 OG SER A 64 -2.508 -7.533 -7.496 1.00 0.00 O ATOM 0 H SER A 64 -3.830 -5.272 -6.571 1.00 0.00 H new ATOM 0 HA SER A 64 -1.553 -5.637 -4.941 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.648 -7.903 -5.651 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.310 -7.350 -5.598 1.00 0.00 H new ATOM 0 HG SER A 64 -3.110 -6.883 -7.916 1.00 0.00 H new ATOM 978 N GLU A 65 -1.020 -5.311 -8.234 1.00 0.00 N ATOM 979 CA GLU A 65 0.034 -5.047 -9.205 1.00 0.00 C ATOM 980 C GLU A 65 0.771 -3.762 -8.814 1.00 0.00 C ATOM 981 O GLU A 65 2.000 -3.707 -8.859 1.00 0.00 O ATOM 982 CB GLU A 65 -0.558 -4.932 -10.611 1.00 0.00 C ATOM 983 CG GLU A 65 -1.062 -6.307 -11.064 1.00 0.00 C ATOM 984 CD GLU A 65 0.110 -7.243 -11.324 1.00 0.00 C ATOM 985 OE1 GLU A 65 1.207 -6.748 -11.519 1.00 0.00 O ATOM 986 OE2 GLU A 65 -0.106 -8.444 -11.320 1.00 0.00 O ATOM 0 H GLU A 65 -1.964 -5.328 -8.620 1.00 0.00 H new ATOM 0 HA GLU A 65 0.744 -5.874 -9.208 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.377 -4.213 -10.615 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.196 -4.561 -11.306 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.713 -6.732 -10.300 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.660 -6.202 -11.970 1.00 0.00 H new ATOM 993 N ILE A 66 0.019 -2.734 -8.421 1.00 0.00 N ATOM 994 CA ILE A 66 0.626 -1.464 -8.013 1.00 0.00 C ATOM 995 C ILE A 66 1.559 -1.660 -6.823 1.00 0.00 C ATOM 996 O ILE A 66 2.682 -1.156 -6.811 1.00 0.00 O ATOM 997 CB ILE A 66 -0.470 -0.444 -7.672 1.00 0.00 C ATOM 998 CG1 ILE A 66 -1.173 -0.014 -8.968 1.00 0.00 C ATOM 999 CG2 ILE A 66 0.153 0.780 -6.991 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -2.400 0.840 -8.638 1.00 0.00 C ATOM 0 H ILE A 66 -1.000 -2.753 -8.376 1.00 0.00 H new ATOM 0 HA ILE A 66 1.219 -1.084 -8.845 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.193 -0.896 -6.993 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.484 0.552 -9.595 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.474 -0.893 -9.538 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.629 1.500 -6.751 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.654 0.470 -6.074 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.877 1.241 -7.663 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.893 1.141 -9.562 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.094 0.260 -8.029 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.088 1.728 -8.087 1.00 0.00 H new ATOM 1012 N LEU A 67 1.090 -2.396 -5.833 1.00 0.00 N ATOM 1013 CA LEU A 67 1.896 -2.643 -4.660 1.00 0.00 C ATOM 1014 C LEU A 67 3.165 -3.350 -5.083 1.00 0.00 C ATOM 1015 O LEU A 67 4.255 -3.029 -4.606 1.00 0.00 O ATOM 1016 CB LEU A 67 1.114 -3.506 -3.649 1.00 0.00 C ATOM 1017 CG LEU A 67 2.036 -4.076 -2.543 1.00 0.00 C ATOM 1018 CD1 LEU A 67 2.519 -2.957 -1.609 1.00 0.00 C ATOM 1019 CD2 LEU A 67 1.243 -5.102 -1.726 1.00 0.00 C ATOM 0 H LEU A 67 0.166 -2.827 -5.820 1.00 0.00 H new ATOM 0 HA LEU A 67 2.146 -1.698 -4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.327 -2.906 -3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.626 -4.327 -4.174 1.00 0.00 H new ATOM 0 HG LEU A 67 2.905 -4.541 -3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.165 -3.379 -0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.076 -2.217 -2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.659 -2.479 -1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.879 -5.513 -0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.378 -4.617 -1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.907 -5.907 -2.380 1.00 0.00 H new ATOM 1031 N GLN A 68 3.030 -4.288 -5.997 1.00 0.00 N ATOM 1032 CA GLN A 68 4.193 -4.992 -6.484 1.00 0.00 C ATOM 1033 C GLN A 68 5.157 -4.010 -7.156 1.00 0.00 C ATOM 1034 O GLN A 68 6.346 -4.007 -6.847 1.00 0.00 O ATOM 1035 CB GLN A 68 3.779 -6.087 -7.466 1.00 0.00 C ATOM 1036 CG GLN A 68 5.023 -6.820 -7.969 1.00 0.00 C ATOM 1037 CD GLN A 68 4.608 -8.063 -8.749 1.00 0.00 C ATOM 1038 OE1 GLN A 68 3.437 -8.441 -8.736 1.00 0.00 O ATOM 1039 NE2 GLN A 68 5.504 -8.728 -9.425 1.00 0.00 N ATOM 0 H GLN A 68 2.143 -4.576 -6.410 1.00 0.00 H new ATOM 0 HA GLN A 68 4.700 -5.459 -5.640 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.102 -6.789 -6.979 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.237 -5.651 -8.305 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.613 -6.160 -8.605 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.656 -7.102 -7.127 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.474 -8.412 -9.434 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.235 -9.563 -9.944 1.00 0.00 H new ATOM 1048 N GLU A 69 4.660 -3.191 -8.091 1.00 0.00 N ATOM 1049 CA GLU A 69 5.527 -2.244 -8.799 1.00 0.00 C ATOM 1050 C GLU A 69 6.197 -1.230 -7.865 1.00 0.00 C ATOM 1051 O GLU A 69 7.395 -0.977 -7.989 1.00 0.00 O ATOM 1052 CB GLU A 69 4.731 -1.505 -9.875 1.00 0.00 C ATOM 1053 CG GLU A 69 4.281 -2.501 -10.946 1.00 0.00 C ATOM 1054 CD GLU A 69 3.485 -1.780 -12.028 1.00 0.00 C ATOM 1055 OE1 GLU A 69 2.997 -0.696 -11.757 1.00 0.00 O ATOM 1056 OE2 GLU A 69 3.374 -2.325 -13.115 1.00 0.00 O ATOM 0 H GLU A 69 3.679 -3.165 -8.371 1.00 0.00 H new ATOM 0 HA GLU A 69 6.322 -2.832 -9.257 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.864 -1.015 -9.430 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.344 -0.723 -10.324 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.149 -2.990 -11.387 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.670 -3.283 -10.494 1.00 0.00 H new ATOM 1063 N THR A 70 5.440 -0.649 -6.937 1.00 0.00 N ATOM 1064 CA THR A 70 6.016 0.329 -6.011 1.00 0.00 C ATOM 1065 C THR A 70 7.123 -0.323 -5.212 1.00 0.00 C ATOM 1066 O THR A 70 8.215 0.219 -5.045 1.00 0.00 O ATOM 1067 CB THR A 70 4.937 0.845 -5.070 1.00 0.00 C ATOM 1068 OG1 THR A 70 3.908 1.469 -5.825 1.00 0.00 O ATOM 1069 CG2 THR A 70 5.539 1.846 -4.083 1.00 0.00 C ATOM 0 H THR A 70 4.445 -0.832 -6.805 1.00 0.00 H new ATOM 0 HA THR A 70 6.424 1.166 -6.578 1.00 0.00 H new ATOM 0 HB THR A 70 4.518 0.008 -4.511 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.348 0.783 -6.244 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.760 2.210 -3.413 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.319 1.357 -3.500 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.967 2.685 -4.631 1.00 0.00 H new ATOM 1077 N TRP A 71 6.797 -1.499 -4.715 1.00 0.00 N ATOM 1078 CA TRP A 71 7.707 -2.282 -3.912 1.00 0.00 C ATOM 1079 C TRP A 71 8.970 -2.580 -4.709 1.00 0.00 C ATOM 1080 O TRP A 71 10.071 -2.542 -4.160 1.00 0.00 O ATOM 1081 CB TRP A 71 6.936 -3.533 -3.480 1.00 0.00 C ATOM 1082 CG TRP A 71 7.704 -4.388 -2.507 1.00 0.00 C ATOM 1083 CD1 TRP A 71 7.878 -5.723 -2.650 1.00 0.00 C ATOM 1084 CD2 TRP A 71 8.355 -4.028 -1.239 1.00 0.00 C ATOM 1085 NE1 TRP A 71 8.625 -6.198 -1.591 1.00 0.00 N ATOM 1086 CE2 TRP A 71 8.942 -5.200 -0.695 1.00 0.00 C ATOM 1087 CE3 TRP A 71 8.514 -2.822 -0.515 1.00 0.00 C ATOM 1088 CZ2 TRP A 71 9.651 -5.179 0.506 1.00 0.00 C ATOM 1089 CZ3 TRP A 71 9.225 -2.805 0.696 1.00 0.00 C ATOM 1090 CH2 TRP A 71 9.794 -3.979 1.203 1.00 0.00 C ATOM 0 H TRP A 71 5.888 -1.938 -4.859 1.00 0.00 H new ATOM 0 HA TRP A 71 8.047 -1.756 -3.020 1.00 0.00 H new ATOM 0 HB2 TRP A 71 5.992 -3.233 -3.025 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.691 -4.125 -4.362 1.00 0.00 H new ATOM 0 HD1 TRP A 71 7.494 -6.321 -3.463 1.00 0.00 H new ATOM 0 HE1 TRP A 71 8.909 -7.172 -1.484 1.00 0.00 H new ATOM 0 HE3 TRP A 71 8.085 -1.907 -0.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 10.087 -6.087 0.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 9.334 -1.879 1.240 1.00 0.00 H new ATOM 0 HH2 TRP A 71 10.343 -3.956 2.133 1.00 0.00 H new ATOM 1101 N GLU A 72 8.828 -2.879 -5.993 1.00 0.00 N ATOM 1102 CA GLU A 72 9.979 -3.184 -6.846 1.00 0.00 C ATOM 1103 C GLU A 72 10.775 -1.929 -7.218 1.00 0.00 C ATOM 1104 O GLU A 72 11.918 -2.053 -7.662 1.00 0.00 O ATOM 1105 CB GLU A 72 9.526 -3.913 -8.109 1.00 0.00 C ATOM 1106 CG GLU A 72 9.064 -5.325 -7.744 1.00 0.00 C ATOM 1107 CD GLU A 72 8.509 -6.026 -8.978 1.00 0.00 C ATOM 1108 OE1 GLU A 72 8.330 -5.358 -9.984 1.00 0.00 O ATOM 1109 OE2 GLU A 72 8.273 -7.220 -8.901 1.00 0.00 O ATOM 0 H GLU A 72 7.928 -2.918 -6.471 1.00 0.00 H new ATOM 0 HA GLU A 72 10.642 -3.832 -6.272 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.714 -3.365 -8.587 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.344 -3.961 -8.828 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.898 -5.895 -7.336 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.300 -5.278 -6.968 1.00 0.00 H new ATOM 1116 N SER A 73 10.198 -0.723 -7.071 1.00 0.00 N ATOM 1117 CA SER A 73 10.926 0.506 -7.445 1.00 0.00 C ATOM 1118 C SER A 73 11.365 1.284 -6.210 1.00 0.00 C ATOM 1119 O SER A 73 11.534 2.502 -6.259 1.00 0.00 O ATOM 1120 CB SER A 73 10.040 1.388 -8.324 1.00 0.00 C ATOM 1121 OG SER A 73 8.924 1.837 -7.565 1.00 0.00 O ATOM 0 H SER A 73 9.257 -0.572 -6.707 1.00 0.00 H new ATOM 0 HA SER A 73 11.818 0.216 -8.000 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.609 2.241 -8.695 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.700 0.828 -9.196 1.00 0.00 H new ATOM 0 HG SER A 73 8.824 1.276 -6.767 1.00 0.00 H new ATOM 1127 N ALA A 74 11.482 0.581 -5.094 1.00 0.00 N ATOM 1128 CA ALA A 74 11.822 1.185 -3.811 1.00 0.00 C ATOM 1129 C ALA A 74 13.100 2.030 -3.788 1.00 0.00 C ATOM 1130 O ALA A 74 13.150 3.058 -3.125 1.00 0.00 O ATOM 1131 CB ALA A 74 11.981 0.063 -2.782 1.00 0.00 C ATOM 0 H ALA A 74 11.344 -0.429 -5.051 1.00 0.00 H new ATOM 0 HA ALA A 74 11.007 1.874 -3.588 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.236 0.492 -1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.045 -0.490 -2.699 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.775 -0.613 -3.100 1.00 0.00 H new ATOM 1137 N ASP A 75 14.128 1.597 -4.498 1.00 0.00 N ATOM 1138 CA ASP A 75 15.395 2.335 -4.508 1.00 0.00 C ATOM 1139 C ASP A 75 15.243 3.746 -5.094 1.00 0.00 C ATOM 1140 O ASP A 75 16.089 4.607 -4.853 1.00 0.00 O ATOM 1141 CB ASP A 75 16.439 1.560 -5.315 1.00 0.00 C ATOM 1142 CG ASP A 75 15.997 1.437 -6.769 1.00 0.00 C ATOM 1143 OD1 ASP A 75 15.032 2.087 -7.133 1.00 0.00 O ATOM 1144 OD2 ASP A 75 16.635 0.695 -7.499 1.00 0.00 O ATOM 0 H ASP A 75 14.119 0.752 -5.069 1.00 0.00 H new ATOM 0 HA ASP A 75 15.718 2.439 -3.472 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.401 2.069 -5.262 1.00 0.00 H new ATOM 0 HB3 ASP A 75 16.579 0.568 -4.885 1.00 0.00 H new ATOM 1149 N ASP A 76 14.192 3.980 -5.873 1.00 0.00 N ATOM 1150 CA ASP A 76 13.979 5.293 -6.497 1.00 0.00 C ATOM 1151 C ASP A 76 13.085 6.221 -5.662 1.00 0.00 C ATOM 1152 O ASP A 76 13.397 7.404 -5.522 1.00 0.00 O ATOM 1153 CB ASP A 76 13.344 5.103 -7.878 1.00 0.00 C ATOM 1154 CG ASP A 76 14.359 4.495 -8.841 1.00 0.00 C ATOM 1155 OD1 ASP A 76 15.543 4.614 -8.575 1.00 0.00 O ATOM 1156 OD2 ASP A 76 13.936 3.923 -9.832 1.00 0.00 O ATOM 0 H ASP A 76 13.476 3.287 -6.090 1.00 0.00 H new ATOM 0 HA ASP A 76 14.957 5.768 -6.574 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.471 4.455 -7.800 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.995 6.062 -8.262 1.00 0.00 H new ATOM 1161 N TRP A 77 11.961 5.722 -5.150 1.00 0.00 N ATOM 1162 CA TRP A 77 11.042 6.585 -4.390 1.00 0.00 C ATOM 1163 C TRP A 77 11.319 6.627 -2.885 1.00 0.00 C ATOM 1164 O TRP A 77 10.929 7.586 -2.222 1.00 0.00 O ATOM 1165 CB TRP A 77 9.589 6.164 -4.634 1.00 0.00 C ATOM 1166 CG TRP A 77 9.257 4.903 -3.878 1.00 0.00 C ATOM 1167 CD1 TRP A 77 9.205 3.650 -4.416 1.00 0.00 C ATOM 1168 CD2 TRP A 77 8.920 4.742 -2.453 1.00 0.00 C ATOM 1169 NE1 TRP A 77 8.841 2.754 -3.432 1.00 0.00 N ATOM 1170 CE2 TRP A 77 8.661 3.369 -2.214 1.00 0.00 C ATOM 1171 CE3 TRP A 77 8.806 5.632 -1.348 1.00 0.00 C ATOM 1172 CZ2 TRP A 77 8.306 2.898 -0.954 1.00 0.00 C ATOM 1173 CZ3 TRP A 77 8.451 5.147 -0.088 1.00 0.00 C ATOM 1174 CH2 TRP A 77 8.201 3.791 0.108 1.00 0.00 C ATOM 0 H TRP A 77 11.665 4.750 -5.241 1.00 0.00 H new ATOM 0 HA TRP A 77 11.215 7.595 -4.763 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.918 6.965 -4.324 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.427 6.006 -5.700 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.415 3.400 -5.446 1.00 0.00 H new ATOM 0 HE1 TRP A 77 8.720 1.753 -3.589 1.00 0.00 H new ATOM 0 HE3 TRP A 77 8.995 6.687 -1.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.113 1.846 -0.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 8.369 5.831 0.744 1.00 0.00 H new ATOM 0 HH2 TRP A 77 7.925 3.431 1.088 1.00 0.00 H new ATOM 1185 N PHE A 78 12.019 5.638 -2.342 1.00 0.00 N ATOM 1186 CA PHE A 78 12.327 5.661 -0.906 1.00 0.00 C ATOM 1187 C PHE A 78 13.609 6.438 -0.647 1.00 0.00 C ATOM 1188 O PHE A 78 14.639 6.194 -1.275 1.00 0.00 O ATOM 1189 CB PHE A 78 12.438 4.238 -0.343 1.00 0.00 C ATOM 1190 CG PHE A 78 13.020 4.292 1.058 1.00 0.00 C ATOM 1191 CD1 PHE A 78 12.180 4.450 2.169 1.00 0.00 C ATOM 1192 CD2 PHE A 78 14.411 4.212 1.240 1.00 0.00 C ATOM 1193 CE1 PHE A 78 12.731 4.519 3.455 1.00 0.00 C ATOM 1194 CE2 PHE A 78 14.955 4.282 2.525 1.00 0.00 C ATOM 1195 CZ PHE A 78 14.116 4.434 3.632 1.00 0.00 C ATOM 0 H PHE A 78 12.378 4.830 -2.851 1.00 0.00 H new ATOM 0 HA PHE A 78 11.507 6.164 -0.394 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.456 3.766 -0.322 1.00 0.00 H new ATOM 0 HB3 PHE A 78 13.071 3.629 -0.988 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.111 4.518 2.034 1.00 0.00 H new ATOM 0 HD2 PHE A 78 15.061 4.096 0.385 1.00 0.00 H new ATOM 0 HE1 PHE A 78 12.085 4.638 4.312 1.00 0.00 H new ATOM 0 HE2 PHE A 78 16.024 4.219 2.663 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.537 4.486 4.625 1.00 0.00 H new ATOM 1205 N VAL A 79 13.521 7.394 0.275 1.00 0.00 N ATOM 1206 CA VAL A 79 14.648 8.252 0.635 1.00 0.00 C ATOM 1207 C VAL A 79 14.918 8.124 2.134 1.00 0.00 C ATOM 1208 O VAL A 79 13.989 7.873 2.902 1.00 0.00 O ATOM 1209 CB VAL A 79 14.279 9.706 0.281 1.00 0.00 C ATOM 1210 CG1 VAL A 79 15.545 10.533 0.033 1.00 0.00 C ATOM 1211 CG2 VAL A 79 13.404 9.712 -0.985 1.00 0.00 C ATOM 0 H VAL A 79 12.666 7.596 0.794 1.00 0.00 H new ATOM 0 HA VAL A 79 15.546 7.958 0.091 1.00 0.00 H new ATOM 0 HB VAL A 79 13.731 10.147 1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 79 15.268 11.557 -0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 79 16.162 10.532 0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 79 16.107 10.098 -0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.140 10.738 -1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 79 13.956 9.263 -1.811 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.495 9.138 -0.802 1.00 0.00 H new ATOM 1221 N SER A 80 16.168 8.297 2.571 1.00 0.00 N ATOM 1222 CA SER A 80 16.483 8.193 4.003 1.00 0.00 C ATOM 1223 C SER A 80 17.509 9.249 4.401 1.00 0.00 C ATOM 1224 O SER A 80 18.481 9.492 3.685 1.00 0.00 O ATOM 1225 CB SER A 80 17.028 6.796 4.340 1.00 0.00 C ATOM 1226 OG SER A 80 17.278 6.719 5.737 1.00 0.00 O ATOM 0 H SER A 80 16.966 8.506 1.970 1.00 0.00 H new ATOM 0 HA SER A 80 15.562 8.358 4.562 1.00 0.00 H new ATOM 0 HB2 SER A 80 16.310 6.031 4.044 1.00 0.00 H new ATOM 0 HB3 SER A 80 17.945 6.606 3.783 1.00 0.00 H new ATOM 0 HG SER A 80 17.624 5.829 5.959 1.00 0.00 H new ATOM 1232 N GLU A 81 17.281 9.872 5.554 1.00 0.00 N ATOM 1233 CA GLU A 81 18.183 10.903 6.053 1.00 0.00 C ATOM 1234 C GLU A 81 19.483 10.281 6.550 1.00 0.00 C ATOM 1235 O GLU A 81 19.573 10.018 7.738 1.00 0.00 O ATOM 1236 CB GLU A 81 17.514 11.665 7.197 1.00 0.00 C ATOM 1237 CG GLU A 81 16.228 12.321 6.691 1.00 0.00 C ATOM 1238 CD GLU A 81 15.552 13.085 7.824 1.00 0.00 C ATOM 1239 OE1 GLU A 81 15.851 12.792 8.970 1.00 0.00 O ATOM 1240 OE2 GLU A 81 14.742 13.948 7.530 1.00 0.00 O ATOM 1241 OXT GLU A 81 20.368 10.074 5.736 1.00 0.00 O ATOM 0 H GLU A 81 16.482 9.681 6.158 1.00 0.00 H new ATOM 0 HA GLU A 81 18.410 11.590 5.238 1.00 0.00 H new ATOM 0 HB2 GLU A 81 17.289 10.985 8.018 1.00 0.00 H new ATOM 0 HB3 GLU A 81 18.192 12.424 7.588 1.00 0.00 H new ATOM 0 HG2 GLU A 81 16.455 12.999 5.869 1.00 0.00 H new ATOM 0 HG3 GLU A 81 15.552 11.561 6.300 1.00 0.00 H new TER 1248 GLU A 81