USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 707 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 71 THR OG1 : rot 122:sc= 0.8 USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 0.33 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.0473 (180deg=-0.11) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0309 USER MOD Single : A 12 HIS : no HD1:sc= -7.22! C(o=-7.2!,f=-12!) USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.038) USER MOD Single : A 18 LYS NZ :NH3+ -169:sc= 1.22 (180deg=1.15) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 168:sc= 1.23 (180deg=1.11) USER MOD Single : A 32 GLN : amide:sc= -0.0321 X(o=-0.032,f=-0.0062) USER MOD Single : A 33 ASN : amide:sc= -1.89! K(o=-1.9!,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.166 USER MOD Single : A 47 LYS NZ :NH3+ -148:sc= 0.327 (180deg=-0.181) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -107:sc= 1.22 USER MOD Single : A 66 LYS NZ :NH3+ -174:sc= 1.81 (180deg=1.7) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 165:sc= -0.0202 (180deg=-0.297) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.187 0.387 -9.779 1.00 0.00 N ATOM 2 CA MET A 1 14.799 -0.066 -9.901 1.00 0.00 C ATOM 3 C MET A 1 14.055 0.353 -8.650 1.00 0.00 C ATOM 4 O MET A 1 14.630 0.381 -7.557 1.00 0.00 O ATOM 5 CB MET A 1 14.682 -1.570 -10.158 1.00 0.00 C ATOM 6 CG MET A 1 15.244 -1.907 -11.543 1.00 0.00 C ATOM 7 SD MET A 1 15.012 -3.626 -12.050 1.00 0.00 S ATOM 8 CE MET A 1 16.216 -4.471 -10.993 1.00 0.00 C ATOM 0 H1 MET A 1 16.394 1.077 -10.529 1.00 0.00 H new ATOM 0 H2 MET A 1 16.326 0.834 -8.850 1.00 0.00 H new ATOM 0 H3 MET A 1 16.827 -0.427 -9.871 1.00 0.00 H new ATOM 0 HA MET A 1 14.350 0.403 -10.777 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.225 -2.122 -9.391 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.639 -1.879 -10.094 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.772 -1.257 -12.280 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.310 -1.679 -11.554 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.188 -5.542 -11.194 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.215 -4.089 -11.202 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.971 -4.291 -9.946 1.00 0.00 H new ATOM 18 N ALA A 2 12.799 0.743 -8.815 1.00 0.00 N ATOM 19 CA ALA A 2 11.907 1.220 -7.783 1.00 0.00 C ATOM 20 C ALA A 2 10.480 0.954 -8.248 1.00 0.00 C ATOM 21 O ALA A 2 10.212 0.702 -9.430 1.00 0.00 O ATOM 22 CB ALA A 2 12.124 2.724 -7.556 1.00 0.00 C ATOM 0 H ALA A 2 12.354 0.732 -9.733 1.00 0.00 H new ATOM 0 HA ALA A 2 12.099 0.707 -6.841 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.448 3.076 -6.777 1.00 0.00 H new ATOM 0 HB2 ALA A 2 13.155 2.901 -7.249 1.00 0.00 H new ATOM 0 HB3 ALA A 2 11.923 3.264 -8.481 1.00 0.00 H new ATOM 28 N LEU A 3 9.559 1.050 -7.304 1.00 0.00 N ATOM 29 CA LEU A 3 8.145 0.810 -7.484 1.00 0.00 C ATOM 30 C LEU A 3 7.530 2.126 -7.031 1.00 0.00 C ATOM 31 O LEU A 3 7.127 2.285 -5.885 1.00 0.00 O ATOM 32 CB LEU A 3 7.744 -0.466 -6.702 1.00 0.00 C ATOM 33 CG LEU A 3 8.432 -1.721 -7.304 1.00 0.00 C ATOM 34 CD1 LEU A 3 8.945 -2.654 -6.209 1.00 0.00 C ATOM 35 CD2 LEU A 3 7.526 -2.506 -8.252 1.00 0.00 C ATOM 0 H LEU A 3 9.793 1.310 -6.346 1.00 0.00 H new ATOM 0 HA LEU A 3 7.802 0.584 -8.494 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.025 -0.359 -5.654 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.661 -0.590 -6.731 1.00 0.00 H new ATOM 0 HG LEU A 3 9.272 -1.341 -7.885 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.421 -3.522 -6.664 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.670 -2.125 -5.591 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.110 -2.981 -5.589 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.066 -3.370 -8.639 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.640 -2.842 -7.713 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.225 -1.866 -9.081 1.00 0.00 H new ATOM 47 N VAL A 4 7.560 3.119 -7.921 1.00 0.00 N ATOM 48 CA VAL A 4 6.726 4.313 -7.824 1.00 0.00 C ATOM 49 C VAL A 4 5.481 3.989 -8.655 1.00 0.00 C ATOM 50 O VAL A 4 5.194 4.591 -9.692 1.00 0.00 O ATOM 51 CB VAL A 4 7.509 5.559 -8.275 1.00 0.00 C ATOM 52 CG1 VAL A 4 6.640 6.829 -8.232 1.00 0.00 C ATOM 53 CG2 VAL A 4 8.740 5.762 -7.369 1.00 0.00 C ATOM 0 H VAL A 4 8.171 3.115 -8.737 1.00 0.00 H new ATOM 0 HA VAL A 4 6.425 4.561 -6.806 1.00 0.00 H new ATOM 0 HB VAL A 4 7.821 5.392 -9.306 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.231 7.685 -8.558 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.783 6.706 -8.894 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.290 6.996 -7.213 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.289 6.646 -7.694 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.414 5.896 -6.337 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.388 4.888 -7.434 1.00 0.00 H new ATOM 63 N LEU A 5 4.802 2.933 -8.236 1.00 0.00 N ATOM 64 CA LEU A 5 3.491 2.490 -8.640 1.00 0.00 C ATOM 65 C LEU A 5 3.055 1.486 -7.590 1.00 0.00 C ATOM 66 O LEU A 5 3.875 0.926 -6.854 1.00 0.00 O ATOM 67 CB LEU A 5 3.485 1.881 -10.050 1.00 0.00 C ATOM 68 CG LEU A 5 4.580 0.815 -10.288 1.00 0.00 C ATOM 69 CD1 LEU A 5 4.027 -0.329 -11.138 1.00 0.00 C ATOM 70 CD2 LEU A 5 5.807 1.371 -11.025 1.00 0.00 C ATOM 0 H LEU A 5 5.201 2.308 -7.536 1.00 0.00 H new ATOM 0 HA LEU A 5 2.800 3.330 -8.701 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.510 1.430 -10.234 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.609 2.682 -10.779 1.00 0.00 H new ATOM 0 HG LEU A 5 4.884 0.475 -9.298 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.807 -1.073 -11.299 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.185 -0.791 -10.622 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.694 0.061 -12.100 1.00 0.00 H new ATOM 0 HD21 LEU A 5 6.540 0.576 -11.162 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.503 1.757 -11.998 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.250 2.176 -10.438 1.00 0.00 H new ATOM 82 N VAL A 6 1.744 1.332 -7.504 1.00 0.00 N ATOM 83 CA VAL A 6 1.067 0.402 -6.627 1.00 0.00 C ATOM 84 C VAL A 6 -0.385 0.340 -7.110 1.00 0.00 C ATOM 85 O VAL A 6 -1.334 0.632 -6.395 1.00 0.00 O ATOM 86 CB VAL A 6 1.280 0.784 -5.140 1.00 0.00 C ATOM 87 CG1 VAL A 6 1.286 2.296 -4.870 1.00 0.00 C ATOM 88 CG2 VAL A 6 0.275 0.163 -4.188 1.00 0.00 C ATOM 0 H VAL A 6 1.097 1.879 -8.071 1.00 0.00 H new ATOM 0 HA VAL A 6 1.475 -0.608 -6.672 1.00 0.00 H new ATOM 0 HB VAL A 6 2.271 0.375 -4.946 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.441 2.475 -3.806 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.091 2.764 -5.437 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.331 2.724 -5.175 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.495 0.481 -3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.730 0.485 -4.460 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.338 -0.923 -4.251 1.00 0.00 H new ATOM 98 N LYS A 7 -0.583 0.099 -8.400 1.00 0.00 N ATOM 99 CA LYS A 7 -1.925 0.096 -8.980 1.00 0.00 C ATOM 100 C LYS A 7 -2.124 -1.131 -9.878 1.00 0.00 C ATOM 101 O LYS A 7 -2.872 -1.062 -10.855 1.00 0.00 O ATOM 102 CB LYS A 7 -2.162 1.396 -9.759 1.00 0.00 C ATOM 103 CG LYS A 7 -1.245 1.667 -10.961 1.00 0.00 C ATOM 104 CD LYS A 7 -1.900 2.789 -11.776 1.00 0.00 C ATOM 105 CE LYS A 7 -0.945 3.418 -12.789 1.00 0.00 C ATOM 106 NZ LYS A 7 -1.554 4.546 -13.528 1.00 0.00 N ATOM 0 H LYS A 7 0.165 -0.097 -9.065 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.657 0.039 -8.175 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.193 1.395 -10.113 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.064 2.230 -9.064 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.250 1.961 -10.629 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.126 0.768 -11.567 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.769 2.392 -12.301 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.263 3.561 -11.097 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.053 3.769 -12.271 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.623 2.656 -13.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.862 4.934 -14.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.390 4.210 -14.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.838 5.288 -12.857 1.00 0.00 H new ATOM 120 N TYR A 8 -1.573 -2.281 -9.509 1.00 0.00 N ATOM 121 CA TYR A 8 -1.753 -3.531 -10.249 1.00 0.00 C ATOM 122 C TYR A 8 -1.797 -4.705 -9.264 1.00 0.00 C ATOM 123 O TYR A 8 -1.411 -5.834 -9.581 1.00 0.00 O ATOM 124 CB TYR A 8 -0.611 -3.658 -11.284 1.00 0.00 C ATOM 125 CG TYR A 8 -1.065 -3.696 -12.727 1.00 0.00 C ATOM 126 CD1 TYR A 8 -1.190 -2.500 -13.455 1.00 0.00 C ATOM 127 CD2 TYR A 8 -1.320 -4.928 -13.357 1.00 0.00 C ATOM 128 CE1 TYR A 8 -1.546 -2.535 -14.813 1.00 0.00 C ATOM 129 CE2 TYR A 8 -1.673 -4.968 -14.718 1.00 0.00 C ATOM 130 CZ TYR A 8 -1.781 -3.772 -15.459 1.00 0.00 C ATOM 131 OH TYR A 8 -2.105 -3.825 -16.785 1.00 0.00 O ATOM 0 H TYR A 8 -0.984 -2.377 -8.682 1.00 0.00 H new ATOM 0 HA TYR A 8 -2.698 -3.538 -10.792 1.00 0.00 H new ATOM 0 HB2 TYR A 8 0.073 -2.819 -11.155 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -0.046 -4.565 -11.071 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -1.012 -1.552 -12.969 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -1.244 -5.846 -12.794 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.641 -1.613 -15.367 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.862 -5.917 -15.197 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.228 -4.759 -17.055 1.00 0.00 H new ATOM 141 N GLY A 9 -2.419 -4.467 -8.108 1.00 0.00 N ATOM 142 CA GLY A 9 -2.518 -5.399 -7.007 1.00 0.00 C ATOM 143 C GLY A 9 -1.134 -5.701 -6.507 1.00 0.00 C ATOM 144 O GLY A 9 -0.601 -4.988 -5.668 1.00 0.00 O ATOM 0 H GLY A 9 -2.884 -3.580 -7.915 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.125 -4.976 -6.207 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.011 -6.315 -7.331 1.00 0.00 H new ATOM 148 N THR A 10 -0.546 -6.762 -7.017 1.00 0.00 N ATOM 149 CA THR A 10 0.597 -7.388 -6.376 1.00 0.00 C ATOM 150 C THR A 10 1.925 -6.732 -6.771 1.00 0.00 C ATOM 151 O THR A 10 2.934 -7.417 -6.964 1.00 0.00 O ATOM 152 CB THR A 10 0.535 -8.906 -6.583 1.00 0.00 C ATOM 153 OG1 THR A 10 0.098 -9.274 -7.882 1.00 0.00 O ATOM 154 CG2 THR A 10 -0.444 -9.521 -5.565 1.00 0.00 C ATOM 0 H THR A 10 -0.842 -7.215 -7.882 1.00 0.00 H new ATOM 0 HA THR A 10 0.547 -7.219 -5.300 1.00 0.00 H new ATOM 0 HB THR A 10 1.550 -9.279 -6.449 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.080 -10.251 -7.956 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.490 -10.600 -5.710 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.100 -9.305 -4.553 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.436 -9.093 -5.710 1.00 0.00 H new ATOM 162 N ASP A 11 1.970 -5.399 -6.887 1.00 0.00 N ATOM 163 CA ASP A 11 2.962 -4.763 -7.737 1.00 0.00 C ATOM 164 C ASP A 11 3.912 -3.816 -6.997 1.00 0.00 C ATOM 165 O ASP A 11 4.385 -2.862 -7.607 1.00 0.00 O ATOM 166 CB ASP A 11 2.235 -4.046 -8.909 1.00 0.00 C ATOM 167 CG ASP A 11 1.398 -2.807 -8.521 1.00 0.00 C ATOM 168 OD1 ASP A 11 0.532 -2.916 -7.627 1.00 0.00 O ATOM 169 OD2 ASP A 11 1.473 -1.755 -9.196 1.00 0.00 O ATOM 0 H ASP A 11 1.339 -4.756 -6.408 1.00 0.00 H new ATOM 0 HA ASP A 11 3.612 -5.549 -8.122 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.981 -3.742 -9.643 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.579 -4.765 -9.400 1.00 0.00 H new ATOM 174 N HIS A 12 4.320 -4.160 -5.762 1.00 0.00 N ATOM 175 CA HIS A 12 5.161 -3.418 -4.806 1.00 0.00 C ATOM 176 C HIS A 12 5.178 -4.166 -3.444 1.00 0.00 C ATOM 177 O HIS A 12 4.531 -5.201 -3.334 1.00 0.00 O ATOM 178 CB HIS A 12 4.642 -1.968 -4.689 1.00 0.00 C ATOM 179 CG HIS A 12 3.360 -1.947 -3.920 1.00 0.00 C ATOM 180 ND1 HIS A 12 3.228 -1.797 -2.558 1.00 0.00 N ATOM 181 CD2 HIS A 12 2.156 -2.359 -4.417 1.00 0.00 C ATOM 182 CE1 HIS A 12 1.972 -2.124 -2.236 1.00 0.00 C ATOM 183 NE2 HIS A 12 1.296 -2.473 -3.332 1.00 0.00 N ATOM 0 H HIS A 12 4.039 -5.058 -5.369 1.00 0.00 H new ATOM 0 HA HIS A 12 6.192 -3.365 -5.155 1.00 0.00 H new ATOM 0 HB2 HIS A 12 5.385 -1.346 -4.191 1.00 0.00 H new ATOM 0 HB3 HIS A 12 4.487 -1.547 -5.682 1.00 0.00 H new ATOM 0 HD2 HIS A 12 1.919 -2.557 -5.452 1.00 0.00 H new ATOM 0 HE1 HIS A 12 1.565 -2.108 -1.236 1.00 0.00 H new ATOM 0 HE2 HIS A 12 0.321 -2.771 -3.367 1.00 0.00 H new ATOM 191 N PRO A 13 5.959 -3.760 -2.419 1.00 0.00 N ATOM 192 CA PRO A 13 6.098 -4.501 -1.154 1.00 0.00 C ATOM 193 C PRO A 13 4.964 -4.163 -0.187 1.00 0.00 C ATOM 194 O PRO A 13 4.317 -3.147 -0.378 1.00 0.00 O ATOM 195 CB PRO A 13 7.431 -3.978 -0.603 1.00 0.00 C ATOM 196 CG PRO A 13 7.487 -2.524 -1.038 1.00 0.00 C ATOM 197 CD PRO A 13 6.740 -2.531 -2.366 1.00 0.00 C ATOM 0 HA PRO A 13 6.065 -5.582 -1.289 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.473 -4.068 0.482 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.273 -4.543 -1.002 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.010 -1.867 -0.311 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.514 -2.178 -1.155 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.090 -1.659 -2.446 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.440 -2.484 -3.200 1.00 0.00 H new ATOM 205 N VAL A 14 4.791 -4.951 0.889 1.00 0.00 N ATOM 206 CA VAL A 14 3.804 -4.806 1.962 1.00 0.00 C ATOM 207 C VAL A 14 3.726 -6.111 2.742 1.00 0.00 C ATOM 208 O VAL A 14 3.479 -6.093 3.936 1.00 0.00 O ATOM 209 CB VAL A 14 2.424 -4.319 1.440 1.00 0.00 C ATOM 210 CG1 VAL A 14 1.210 -5.082 1.975 1.00 0.00 C ATOM 211 CG2 VAL A 14 2.269 -2.819 1.738 1.00 0.00 C ATOM 0 H VAL A 14 5.385 -5.767 1.038 1.00 0.00 H new ATOM 0 HA VAL A 14 4.129 -4.019 2.643 1.00 0.00 H new ATOM 0 HB VAL A 14 2.431 -4.519 0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.299 -4.662 1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.290 -6.133 1.697 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.175 -4.995 3.061 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.302 -2.474 1.373 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.331 -2.653 2.814 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.064 -2.265 1.239 1.00 0.00 H new ATOM 221 N GLU A 15 3.986 -7.242 2.097 1.00 0.00 N ATOM 222 CA GLU A 15 3.839 -8.547 2.736 1.00 0.00 C ATOM 223 C GLU A 15 4.773 -9.566 2.109 1.00 0.00 C ATOM 224 O GLU A 15 5.279 -10.434 2.797 1.00 0.00 O ATOM 225 CB GLU A 15 2.344 -8.846 2.803 1.00 0.00 C ATOM 226 CG GLU A 15 1.698 -9.261 1.496 1.00 0.00 C ATOM 227 CD GLU A 15 0.848 -10.492 1.747 1.00 0.00 C ATOM 228 OE1 GLU A 15 -0.009 -10.411 2.662 1.00 0.00 O ATOM 229 OE2 GLU A 15 1.113 -11.506 1.060 1.00 0.00 O ATOM 0 H GLU A 15 4.301 -7.283 1.128 1.00 0.00 H new ATOM 0 HA GLU A 15 4.177 -8.581 3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.183 -9.638 3.534 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.831 -7.959 3.175 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.084 -8.451 1.103 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.461 -9.474 0.747 1.00 0.00 H new ATOM 236 N LYS A 16 5.236 -9.342 0.884 1.00 0.00 N ATOM 237 CA LYS A 16 6.106 -10.277 0.208 1.00 0.00 C ATOM 238 C LYS A 16 7.186 -9.572 -0.565 1.00 0.00 C ATOM 239 O LYS A 16 8.348 -9.819 -0.289 1.00 0.00 O ATOM 240 CB LYS A 16 5.236 -11.115 -0.695 1.00 0.00 C ATOM 241 CG LYS A 16 6.023 -12.373 -1.126 1.00 0.00 C ATOM 242 CD LYS A 16 5.940 -13.503 -0.078 1.00 0.00 C ATOM 243 CE LYS A 16 6.708 -14.757 -0.522 1.00 0.00 C ATOM 244 NZ LYS A 16 7.832 -15.162 0.355 1.00 0.00 N ATOM 0 H LYS A 16 5.016 -8.508 0.340 1.00 0.00 H new ATOM 0 HA LYS A 16 6.623 -10.906 0.932 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.322 -11.402 -0.176 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.938 -10.539 -1.571 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.634 -12.734 -2.078 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.068 -12.107 -1.289 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.343 -13.148 0.871 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.895 -13.760 0.096 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.005 -15.587 -0.589 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.097 -14.587 -1.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.207 -16.078 0.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.584 -14.445 0.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.494 -15.247 1.335 1.00 0.00 H new ATOM 258 N LEU A 17 6.856 -8.625 -1.447 1.00 0.00 N ATOM 259 CA LEU A 17 7.893 -7.834 -2.104 1.00 0.00 C ATOM 260 C LEU A 17 8.790 -7.144 -1.066 1.00 0.00 C ATOM 261 O LEU A 17 9.991 -7.017 -1.283 1.00 0.00 O ATOM 262 CB LEU A 17 7.289 -6.880 -3.165 1.00 0.00 C ATOM 263 CG LEU A 17 7.610 -7.234 -4.620 1.00 0.00 C ATOM 264 CD1 LEU A 17 9.113 -7.096 -4.894 1.00 0.00 C ATOM 265 CD2 LEU A 17 7.051 -8.616 -4.969 1.00 0.00 C ATOM 0 H LEU A 17 5.900 -8.392 -1.717 1.00 0.00 H new ATOM 0 HA LEU A 17 8.549 -8.500 -2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.206 -6.865 -3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.646 -5.869 -2.967 1.00 0.00 H new ATOM 0 HG LEU A 17 7.116 -6.524 -5.283 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.318 -7.352 -5.933 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.424 -6.069 -4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.666 -7.769 -4.238 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.287 -8.853 -6.006 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.498 -9.365 -4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.969 -8.616 -4.834 1.00 0.00 H new ATOM 277 N LYS A 18 8.245 -6.832 0.123 1.00 0.00 N ATOM 278 CA LYS A 18 9.019 -6.280 1.239 1.00 0.00 C ATOM 279 C LYS A 18 10.150 -7.238 1.627 1.00 0.00 C ATOM 280 O LYS A 18 11.237 -6.827 1.986 1.00 0.00 O ATOM 281 CB LYS A 18 8.117 -5.902 2.454 1.00 0.00 C ATOM 282 CG LYS A 18 8.192 -6.793 3.720 1.00 0.00 C ATOM 283 CD LYS A 18 7.219 -7.965 3.620 1.00 0.00 C ATOM 284 CE LYS A 18 7.601 -9.198 4.448 1.00 0.00 C ATOM 285 NZ LYS A 18 7.678 -9.032 5.910 1.00 0.00 N ATOM 0 H LYS A 18 7.255 -6.957 0.333 1.00 0.00 H new ATOM 0 HA LYS A 18 9.472 -5.346 0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.363 -4.882 2.748 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.082 -5.894 2.112 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.208 -7.168 3.846 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.961 -6.197 4.603 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.232 -7.626 3.935 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.136 -8.260 2.574 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.877 -9.985 4.235 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.570 -9.553 4.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.121 -9.873 6.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.248 -8.191 6.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.720 -8.914 6.297 1.00 0.00 H new ATOM 299 N ILE A 19 9.877 -8.534 1.608 1.00 0.00 N ATOM 300 CA ILE A 19 10.777 -9.562 2.099 1.00 0.00 C ATOM 301 C ILE A 19 12.014 -9.622 1.202 1.00 0.00 C ATOM 302 O ILE A 19 13.113 -9.910 1.670 1.00 0.00 O ATOM 303 CB ILE A 19 9.957 -10.885 2.159 1.00 0.00 C ATOM 304 CG1 ILE A 19 9.894 -11.550 3.544 1.00 0.00 C ATOM 305 CG2 ILE A 19 10.277 -11.955 1.106 1.00 0.00 C ATOM 306 CD1 ILE A 19 8.526 -12.244 3.687 1.00 0.00 C ATOM 0 H ILE A 19 9.001 -8.907 1.241 1.00 0.00 H new ATOM 0 HA ILE A 19 11.158 -9.358 3.100 1.00 0.00 H new ATOM 0 HB ILE A 19 8.973 -10.488 1.909 1.00 0.00 H new ATOM 0 HG12 ILE A 19 10.701 -12.275 3.654 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.026 -10.805 4.329 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.635 -12.822 1.262 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.102 -11.549 0.110 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.321 -12.255 1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.461 -12.723 4.664 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.731 -11.504 3.592 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.417 -12.997 2.906 1.00 0.00 H new ATOM 318 N ARG A 20 11.832 -9.330 -0.089 1.00 0.00 N ATOM 319 CA ARG A 20 12.912 -9.267 -1.052 1.00 0.00 C ATOM 320 C ARG A 20 13.759 -8.028 -0.774 1.00 0.00 C ATOM 321 O ARG A 20 14.983 -8.139 -0.780 1.00 0.00 O ATOM 322 CB ARG A 20 12.331 -9.299 -2.473 1.00 0.00 C ATOM 323 CG ARG A 20 11.643 -10.646 -2.800 1.00 0.00 C ATOM 324 CD ARG A 20 10.138 -10.522 -3.026 1.00 0.00 C ATOM 325 NE ARG A 20 9.585 -11.427 -4.039 1.00 0.00 N ATOM 326 CZ ARG A 20 9.502 -11.109 -5.338 1.00 0.00 C ATOM 327 NH1 ARG A 20 10.388 -10.281 -5.890 1.00 0.00 N ATOM 328 NH2 ARG A 20 8.494 -11.585 -6.051 1.00 0.00 N ATOM 0 H ARG A 20 10.916 -9.130 -0.490 1.00 0.00 H new ATOM 0 HA ARG A 20 13.570 -10.131 -0.961 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.610 -8.489 -2.586 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.129 -9.118 -3.193 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.102 -11.073 -3.692 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.823 -11.345 -1.983 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.628 -10.705 -2.080 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.913 -9.496 -3.316 1.00 0.00 H new ATOM 0 HE ARG A 20 9.248 -12.342 -3.740 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.137 -9.884 -5.323 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.317 -10.044 -6.880 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.796 -12.184 -5.610 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.415 -11.353 -7.041 1.00 0.00 H new ATOM 342 N SER A 21 13.149 -6.870 -0.507 1.00 0.00 N ATOM 343 CA SER A 21 13.881 -5.680 -0.100 1.00 0.00 C ATOM 344 C SER A 21 12.928 -4.735 0.638 1.00 0.00 C ATOM 345 O SER A 21 12.079 -4.120 -0.012 1.00 0.00 O ATOM 346 CB SER A 21 14.500 -5.033 -1.352 1.00 0.00 C ATOM 347 OG SER A 21 15.519 -4.095 -1.045 1.00 0.00 O ATOM 0 H SER A 21 12.140 -6.737 -0.568 1.00 0.00 H new ATOM 0 HA SER A 21 14.692 -5.926 0.585 1.00 0.00 H new ATOM 0 HB2 SER A 21 14.913 -5.813 -1.991 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.716 -4.535 -1.923 1.00 0.00 H new ATOM 0 HG SER A 21 15.877 -3.717 -1.875 1.00 0.00 H new ATOM 353 N ALA A 22 13.034 -4.647 1.968 1.00 0.00 N ATOM 354 CA ALA A 22 12.376 -3.695 2.870 1.00 0.00 C ATOM 355 C ALA A 22 12.747 -4.060 4.304 1.00 0.00 C ATOM 356 O ALA A 22 13.152 -5.194 4.575 1.00 0.00 O ATOM 357 CB ALA A 22 10.848 -3.788 2.808 1.00 0.00 C ATOM 0 H ALA A 22 13.631 -5.293 2.484 1.00 0.00 H new ATOM 0 HA ALA A 22 12.697 -2.697 2.571 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.411 -3.063 3.494 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.511 -3.576 1.793 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.533 -4.792 3.092 1.00 0.00 H new ATOM 363 N LYS A 23 12.469 -3.166 5.252 1.00 0.00 N ATOM 364 CA LYS A 23 12.635 -3.419 6.673 1.00 0.00 C ATOM 365 C LYS A 23 11.539 -2.727 7.457 1.00 0.00 C ATOM 366 O LYS A 23 10.601 -2.190 6.866 1.00 0.00 O ATOM 367 CB LYS A 23 14.055 -2.993 7.107 1.00 0.00 C ATOM 368 CG LYS A 23 14.899 -3.982 7.916 1.00 0.00 C ATOM 369 CD LYS A 23 15.324 -5.237 7.143 1.00 0.00 C ATOM 370 CE LYS A 23 14.190 -6.250 7.264 1.00 0.00 C ATOM 371 NZ LYS A 23 14.521 -7.422 8.097 1.00 0.00 N ATOM 0 H LYS A 23 12.116 -2.231 5.045 1.00 0.00 H new ATOM 0 HA LYS A 23 12.539 -4.484 6.884 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.614 -2.739 6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.962 -2.079 7.694 1.00 0.00 H new ATOM 0 HG2 LYS A 23 15.793 -3.470 8.273 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.334 -4.287 8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.515 -4.998 6.097 1.00 0.00 H new ATOM 0 HD3 LYS A 23 16.249 -5.645 7.551 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.316 -5.753 7.684 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.914 -6.592 6.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.704 -8.065 8.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 15.336 -7.921 7.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.757 -7.108 9.060 1.00 0.00 H new ATOM 385 N ALA A 24 11.648 -2.766 8.783 1.00 0.00 N ATOM 386 CA ALA A 24 10.734 -2.038 9.639 1.00 0.00 C ATOM 387 C ALA A 24 10.843 -0.546 9.356 1.00 0.00 C ATOM 388 O ALA A 24 9.864 0.186 9.461 1.00 0.00 O ATOM 389 CB ALA A 24 11.053 -2.280 11.113 1.00 0.00 C ATOM 0 H ALA A 24 12.363 -3.296 9.282 1.00 0.00 H new ATOM 0 HA ALA A 24 9.724 -2.391 9.430 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.352 -1.722 11.733 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.966 -3.344 11.334 1.00 0.00 H new ATOM 0 HB3 ALA A 24 12.069 -1.947 11.325 1.00 0.00 H new ATOM 395 N GLU A 25 12.039 -0.080 8.997 1.00 0.00 N ATOM 396 CA GLU A 25 12.271 1.287 8.578 1.00 0.00 C ATOM 397 C GLU A 25 12.019 1.389 7.083 1.00 0.00 C ATOM 398 O GLU A 25 12.908 1.722 6.292 1.00 0.00 O ATOM 399 CB GLU A 25 13.620 1.862 9.001 1.00 0.00 C ATOM 400 CG GLU A 25 14.730 0.860 8.739 1.00 0.00 C ATOM 401 CD GLU A 25 16.117 1.489 8.849 1.00 0.00 C ATOM 402 OE1 GLU A 25 16.477 2.296 7.963 1.00 0.00 O ATOM 403 OE2 GLU A 25 16.876 1.135 9.783 1.00 0.00 O ATOM 0 H GLU A 25 12.881 -0.656 8.992 1.00 0.00 H new ATOM 0 HA GLU A 25 11.562 1.922 9.109 1.00 0.00 H new ATOM 0 HB2 GLU A 25 13.817 2.784 8.453 1.00 0.00 H new ATOM 0 HB3 GLU A 25 13.597 2.119 10.060 1.00 0.00 H new ATOM 0 HG2 GLU A 25 14.649 0.038 9.450 1.00 0.00 H new ATOM 0 HG3 GLU A 25 14.605 0.434 7.743 1.00 0.00 H new ATOM 410 N ASP A 26 10.801 1.067 6.674 1.00 0.00 N ATOM 411 CA ASP A 26 10.355 1.389 5.332 1.00 0.00 C ATOM 412 C ASP A 26 8.969 2.021 5.338 1.00 0.00 C ATOM 413 O ASP A 26 8.357 2.151 6.407 1.00 0.00 O ATOM 414 CB ASP A 26 10.439 0.141 4.455 1.00 0.00 C ATOM 415 CG ASP A 26 11.006 0.495 3.085 1.00 0.00 C ATOM 416 OD1 ASP A 26 10.672 1.566 2.541 1.00 0.00 O ATOM 417 OD2 ASP A 26 11.913 -0.241 2.639 1.00 0.00 O ATOM 0 H ASP A 26 10.110 0.586 7.250 1.00 0.00 H new ATOM 0 HA ASP A 26 11.016 2.142 4.903 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.070 -0.607 4.935 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.449 -0.301 4.343 1.00 0.00 H new ATOM 422 N LYS A 27 8.483 2.472 4.175 1.00 0.00 N ATOM 423 CA LYS A 27 7.279 3.284 4.069 1.00 0.00 C ATOM 424 C LYS A 27 6.513 2.933 2.809 1.00 0.00 C ATOM 425 O LYS A 27 7.079 2.972 1.724 1.00 0.00 O ATOM 426 CB LYS A 27 7.649 4.773 4.056 1.00 0.00 C ATOM 427 CG LYS A 27 8.465 5.254 5.271 1.00 0.00 C ATOM 428 CD LYS A 27 9.956 5.380 4.932 1.00 0.00 C ATOM 429 CE LYS A 27 10.766 5.895 6.123 1.00 0.00 C ATOM 430 NZ LYS A 27 11.710 6.951 5.709 1.00 0.00 N ATOM 0 H LYS A 27 8.924 2.278 3.276 1.00 0.00 H new ATOM 0 HA LYS A 27 6.646 3.080 4.932 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.218 4.982 3.150 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.732 5.359 3.999 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.084 6.218 5.608 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.336 4.555 6.097 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.342 4.409 4.622 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.081 6.057 4.087 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.090 6.285 6.884 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.315 5.070 6.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.097 7.421 6.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.487 6.527 5.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.213 7.650 5.120 1.00 0.00 H new ATOM 444 N ILE A 28 5.255 2.525 2.928 1.00 0.00 N ATOM 445 CA ILE A 28 4.488 2.013 1.803 1.00 0.00 C ATOM 446 C ILE A 28 3.020 2.406 1.997 1.00 0.00 C ATOM 447 O ILE A 28 2.598 2.703 3.114 1.00 0.00 O ATOM 448 CB ILE A 28 4.664 0.479 1.710 1.00 0.00 C ATOM 449 CG1 ILE A 28 6.086 -0.113 1.967 1.00 0.00 C ATOM 450 CG2 ILE A 28 4.204 0.034 0.302 1.00 0.00 C ATOM 451 CD1 ILE A 28 6.013 -1.574 2.398 1.00 0.00 C ATOM 0 H ILE A 28 4.740 2.541 3.808 1.00 0.00 H new ATOM 0 HA ILE A 28 4.842 2.441 0.865 1.00 0.00 H new ATOM 0 HB ILE A 28 4.065 0.089 2.533 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.685 -0.029 1.060 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.590 0.470 2.738 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.317 -1.046 0.207 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.158 0.303 0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.813 0.530 -0.454 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.020 -1.954 2.568 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.435 -1.653 3.319 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.532 -2.161 1.616 1.00 0.00 H new ATOM 463 N VAL A 29 2.243 2.363 0.915 1.00 0.00 N ATOM 464 CA VAL A 29 0.796 2.563 0.852 1.00 0.00 C ATOM 465 C VAL A 29 0.260 1.640 -0.264 1.00 0.00 C ATOM 466 O VAL A 29 1.069 1.126 -1.038 1.00 0.00 O ATOM 467 CB VAL A 29 0.489 4.066 0.641 1.00 0.00 C ATOM 468 CG1 VAL A 29 -0.993 4.382 0.365 1.00 0.00 C ATOM 469 CG2 VAL A 29 0.907 4.868 1.886 1.00 0.00 C ATOM 0 H VAL A 29 2.637 2.174 -0.007 1.00 0.00 H new ATOM 0 HA VAL A 29 0.291 2.294 1.780 1.00 0.00 H new ATOM 0 HB VAL A 29 1.058 4.348 -0.245 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.117 5.456 0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.313 3.863 -0.538 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.599 4.050 1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.688 5.924 1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.354 4.508 2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.976 4.741 2.059 1.00 0.00 H new ATOM 479 N LEU A 30 -1.059 1.411 -0.355 1.00 0.00 N ATOM 480 CA LEU A 30 -1.738 0.664 -1.419 1.00 0.00 C ATOM 481 C LEU A 30 -2.755 1.566 -2.098 1.00 0.00 C ATOM 482 O LEU A 30 -3.413 2.339 -1.400 1.00 0.00 O ATOM 483 CB LEU A 30 -2.429 -0.639 -0.967 1.00 0.00 C ATOM 484 CG LEU A 30 -2.084 -1.309 0.366 1.00 0.00 C ATOM 485 CD1 LEU A 30 -3.011 -2.501 0.605 1.00 0.00 C ATOM 486 CD2 LEU A 30 -0.654 -1.828 0.394 1.00 0.00 C ATOM 0 H LEU A 30 -1.711 1.760 0.347 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.951 0.353 -2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.501 -0.440 -0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.252 -1.378 -1.748 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.204 -0.550 1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.760 -2.973 1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.045 -2.158 0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.890 -3.224 -0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.455 -2.295 1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.518 -2.563 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.037 -0.999 0.243 1.00 0.00 H new ATOM 498 N ILE A 31 -2.890 1.468 -3.427 1.00 0.00 N ATOM 499 CA ILE A 31 -3.852 2.256 -4.178 1.00 0.00 C ATOM 500 C ILE A 31 -4.515 1.383 -5.245 1.00 0.00 C ATOM 501 O ILE A 31 -4.011 0.311 -5.551 1.00 0.00 O ATOM 502 CB ILE A 31 -3.216 3.571 -4.714 1.00 0.00 C ATOM 503 CG1 ILE A 31 -2.620 3.420 -6.122 1.00 0.00 C ATOM 504 CG2 ILE A 31 -2.127 4.193 -3.810 1.00 0.00 C ATOM 505 CD1 ILE A 31 -2.417 4.713 -6.902 1.00 0.00 C ATOM 0 H ILE A 31 -2.332 0.838 -4.003 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.652 2.592 -3.519 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.071 4.247 -4.730 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.657 2.916 -6.036 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.271 2.767 -6.703 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.748 5.105 -4.272 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.555 4.431 -2.836 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.310 3.483 -3.684 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.992 4.485 -7.880 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.376 5.214 -7.031 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.737 5.366 -6.354 1.00 0.00 H new ATOM 517 N GLN A 32 -5.536 1.894 -5.924 1.00 0.00 N ATOM 518 CA GLN A 32 -6.214 1.401 -7.122 1.00 0.00 C ATOM 519 C GLN A 32 -6.661 -0.070 -7.159 1.00 0.00 C ATOM 520 O GLN A 32 -7.830 -0.400 -7.353 1.00 0.00 O ATOM 521 CB GLN A 32 -5.361 1.681 -8.359 1.00 0.00 C ATOM 522 CG GLN A 32 -5.233 3.159 -8.695 1.00 0.00 C ATOM 523 CD GLN A 32 -6.542 3.672 -9.268 1.00 0.00 C ATOM 524 OE1 GLN A 32 -6.799 3.524 -10.463 1.00 0.00 O ATOM 525 NE2 GLN A 32 -7.397 4.253 -8.441 1.00 0.00 N ATOM 0 H GLN A 32 -5.960 2.768 -5.612 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.150 1.959 -7.104 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.365 1.266 -8.204 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.794 1.160 -9.213 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.971 3.723 -7.800 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.427 3.309 -9.414 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.159 4.363 -7.455 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.294 4.591 -8.789 1.00 0.00 H new ATOM 534 N ASN A 33 -5.675 -0.956 -7.245 1.00 0.00 N ATOM 535 CA ASN A 33 -5.741 -2.415 -7.255 1.00 0.00 C ATOM 536 C ASN A 33 -4.775 -2.964 -6.223 1.00 0.00 C ATOM 537 O ASN A 33 -5.079 -3.994 -5.640 1.00 0.00 O ATOM 538 CB ASN A 33 -5.326 -3.021 -8.606 1.00 0.00 C ATOM 539 CG ASN A 33 -6.266 -2.775 -9.783 1.00 0.00 C ATOM 540 OD1 ASN A 33 -6.211 -3.478 -10.781 1.00 0.00 O ATOM 541 ND2 ASN A 33 -7.126 -1.776 -9.735 1.00 0.00 N ATOM 0 H ASN A 33 -4.709 -0.638 -7.317 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.778 -2.679 -7.047 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.343 -2.629 -8.867 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -5.216 -4.098 -8.477 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.741 -1.594 -10.528 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.176 -1.186 -8.905 1.00 0.00 H new ATOM 548 N GLY A 34 -3.644 -2.281 -5.985 1.00 0.00 N ATOM 549 CA GLY A 34 -2.708 -2.477 -4.877 1.00 0.00 C ATOM 550 C GLY A 34 -3.395 -2.818 -3.561 1.00 0.00 C ATOM 551 O GLY A 34 -2.879 -3.601 -2.771 1.00 0.00 O ATOM 0 H GLY A 34 -3.343 -1.529 -6.605 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.014 -3.277 -5.134 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.116 -1.571 -4.746 1.00 0.00 H new ATOM 555 N VAL A 35 -4.584 -2.260 -3.337 1.00 0.00 N ATOM 556 CA VAL A 35 -5.511 -2.593 -2.265 1.00 0.00 C ATOM 557 C VAL A 35 -5.693 -4.109 -2.020 1.00 0.00 C ATOM 558 O VAL A 35 -5.958 -4.500 -0.881 1.00 0.00 O ATOM 559 CB VAL A 35 -6.846 -1.871 -2.541 1.00 0.00 C ATOM 560 CG1 VAL A 35 -6.733 -0.398 -2.121 1.00 0.00 C ATOM 561 CG2 VAL A 35 -7.335 -1.878 -3.996 1.00 0.00 C ATOM 0 H VAL A 35 -4.944 -1.519 -3.938 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.082 -2.241 -1.327 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.572 -2.440 -1.961 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.677 0.110 -2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.504 -0.340 -1.057 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.938 0.083 -2.690 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.281 -1.341 -4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.595 -1.391 -4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.477 -2.907 -4.327 1.00 0.00 H new ATOM 571 N PHE A 36 -5.457 -4.967 -3.021 1.00 0.00 N ATOM 572 CA PHE A 36 -5.438 -6.421 -2.920 1.00 0.00 C ATOM 573 C PHE A 36 -4.489 -6.915 -1.823 1.00 0.00 C ATOM 574 O PHE A 36 -4.750 -7.927 -1.178 1.00 0.00 O ATOM 575 CB PHE A 36 -4.989 -7.001 -4.272 1.00 0.00 C ATOM 576 CG PHE A 36 -6.048 -7.275 -5.322 1.00 0.00 C ATOM 577 CD1 PHE A 36 -7.304 -6.636 -5.317 1.00 0.00 C ATOM 578 CD2 PHE A 36 -5.765 -8.241 -6.305 1.00 0.00 C ATOM 579 CE1 PHE A 36 -8.319 -7.082 -6.183 1.00 0.00 C ATOM 580 CE2 PHE A 36 -6.757 -8.642 -7.209 1.00 0.00 C ATOM 581 CZ PHE A 36 -8.045 -8.091 -7.122 1.00 0.00 C ATOM 0 H PHE A 36 -5.265 -4.643 -3.969 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.443 -6.754 -2.660 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.262 -6.313 -4.704 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.465 -7.937 -4.075 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.487 -5.806 -4.650 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.778 -8.676 -6.363 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.307 -6.650 -6.126 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.531 -9.373 -7.971 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.827 -8.443 -7.778 1.00 0.00 H new ATOM 591 N TRP A 37 -3.393 -6.203 -1.567 1.00 0.00 N ATOM 592 CA TRP A 37 -2.421 -6.630 -0.575 1.00 0.00 C ATOM 593 C TRP A 37 -3.007 -6.587 0.841 1.00 0.00 C ATOM 594 O TRP A 37 -2.497 -7.273 1.732 1.00 0.00 O ATOM 595 CB TRP A 37 -1.153 -5.783 -0.611 1.00 0.00 C ATOM 596 CG TRP A 37 -0.218 -5.951 -1.748 1.00 0.00 C ATOM 597 CD1 TRP A 37 0.001 -4.990 -2.655 1.00 0.00 C ATOM 598 CD2 TRP A 37 0.719 -7.029 -2.054 1.00 0.00 C ATOM 599 NE1 TRP A 37 1.062 -5.368 -3.449 1.00 0.00 N ATOM 600 CE2 TRP A 37 1.575 -6.599 -3.107 1.00 0.00 C ATOM 601 CE3 TRP A 37 0.936 -8.330 -1.565 1.00 0.00 C ATOM 602 CZ2 TRP A 37 2.628 -7.392 -3.600 1.00 0.00 C ATOM 603 CZ3 TRP A 37 2.013 -9.117 -2.014 1.00 0.00 C ATOM 604 CH2 TRP A 37 2.884 -8.644 -3.015 1.00 0.00 C ATOM 0 H TRP A 37 -3.160 -5.328 -2.036 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.163 -7.658 -0.830 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.454 -4.736 -0.582 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.597 -5.980 0.306 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.560 -4.072 -2.748 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.429 -4.796 -4.210 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.260 -8.735 -0.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.235 -7.041 -4.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.174 -10.095 -1.586 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.734 -9.233 -3.327 1.00 0.00 H new ATOM 615 N ALA A 38 -4.071 -5.811 1.083 1.00 0.00 N ATOM 616 CA ALA A 38 -4.700 -5.705 2.390 1.00 0.00 C ATOM 617 C ALA A 38 -5.696 -6.827 2.611 1.00 0.00 C ATOM 618 O ALA A 38 -6.716 -6.596 3.264 1.00 0.00 O ATOM 619 CB ALA A 38 -5.370 -4.338 2.530 1.00 0.00 C ATOM 0 H ALA A 38 -4.517 -5.238 0.367 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.931 -5.799 3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.840 -4.262 3.510 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.621 -3.553 2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.127 -4.223 1.754 1.00 0.00 H new ATOM 625 N LEU A 39 -5.356 -8.037 2.146 1.00 0.00 N ATOM 626 CA LEU A 39 -6.168 -9.244 2.213 1.00 0.00 C ATOM 627 C LEU A 39 -5.442 -10.441 1.584 1.00 0.00 C ATOM 628 O LEU A 39 -6.062 -11.337 1.014 1.00 0.00 O ATOM 629 CB LEU A 39 -7.559 -8.945 1.633 1.00 0.00 C ATOM 630 CG LEU A 39 -7.661 -8.079 0.351 1.00 0.00 C ATOM 631 CD1 LEU A 39 -7.692 -8.906 -0.935 1.00 0.00 C ATOM 632 CD2 LEU A 39 -8.875 -7.166 0.508 1.00 0.00 C ATOM 0 H LEU A 39 -4.458 -8.201 1.690 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.324 -9.547 3.249 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.043 -9.900 1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.143 -8.453 2.411 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.759 -7.476 0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.764 -8.240 -1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.779 -9.497 -1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.555 -9.572 -0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.977 -6.541 -0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.773 -7.772 0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.743 -6.533 1.385 1.00 0.00 H new ATOM 644 N GLU A 40 -4.132 -10.503 1.822 1.00 0.00 N ATOM 645 CA GLU A 40 -3.188 -11.564 1.477 1.00 0.00 C ATOM 646 C GLU A 40 -2.634 -12.192 2.776 1.00 0.00 C ATOM 647 O GLU A 40 -3.248 -12.045 3.835 1.00 0.00 O ATOM 648 CB GLU A 40 -2.110 -10.943 0.584 1.00 0.00 C ATOM 649 CG GLU A 40 -2.568 -10.584 -0.828 1.00 0.00 C ATOM 650 CD GLU A 40 -2.281 -11.660 -1.887 1.00 0.00 C ATOM 651 OE1 GLU A 40 -1.387 -12.523 -1.710 1.00 0.00 O ATOM 652 OE2 GLU A 40 -2.909 -11.640 -2.966 1.00 0.00 O ATOM 0 H GLU A 40 -3.661 -9.739 2.307 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.656 -12.378 0.923 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.734 -10.041 1.068 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.274 -11.639 0.512 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.640 -10.388 -0.809 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.080 -9.657 -1.129 1.00 0.00 H new ATOM 659 N GLU A 41 -1.496 -12.892 2.736 1.00 0.00 N ATOM 660 CA GLU A 41 -1.075 -13.879 3.736 1.00 0.00 C ATOM 661 C GLU A 41 0.246 -13.636 4.471 1.00 0.00 C ATOM 662 O GLU A 41 0.982 -14.576 4.787 1.00 0.00 O ATOM 663 CB GLU A 41 -1.187 -15.287 3.126 1.00 0.00 C ATOM 664 CG GLU A 41 -0.292 -15.470 1.882 1.00 0.00 C ATOM 665 CD GLU A 41 -0.073 -16.937 1.504 1.00 0.00 C ATOM 666 OE1 GLU A 41 -1.003 -17.762 1.650 1.00 0.00 O ATOM 667 OE2 GLU A 41 1.051 -17.283 1.067 1.00 0.00 O ATOM 0 H GLU A 41 -0.819 -12.784 1.981 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.772 -13.763 4.566 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.913 -16.027 3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.225 -15.479 2.853 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.744 -14.948 1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.675 -15.001 2.066 1.00 0.00 H new ATOM 674 N LEU A 42 0.519 -12.384 4.819 1.00 0.00 N ATOM 675 CA LEU A 42 1.782 -11.924 5.399 1.00 0.00 C ATOM 676 C LEU A 42 1.593 -10.508 5.943 1.00 0.00 C ATOM 677 O LEU A 42 0.468 -10.014 6.052 1.00 0.00 O ATOM 678 CB LEU A 42 2.830 -11.969 4.270 1.00 0.00 C ATOM 679 CG LEU A 42 3.815 -13.145 4.325 1.00 0.00 C ATOM 680 CD1 LEU A 42 3.813 -13.895 2.985 1.00 0.00 C ATOM 681 CD2 LEU A 42 5.261 -12.760 4.664 1.00 0.00 C ATOM 0 H LEU A 42 -0.157 -11.630 4.702 1.00 0.00 H new ATOM 0 HA LEU A 42 2.111 -12.550 6.229 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.307 -12.001 3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.400 -11.040 4.290 1.00 0.00 H new ATOM 0 HG LEU A 42 3.459 -13.773 5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.515 -14.728 3.033 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.812 -14.275 2.782 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.111 -13.215 2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.882 -13.656 4.680 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.640 -12.069 3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.290 -12.281 5.643 1.00 0.00 H new ATOM 693 N GLU A 43 2.687 -9.833 6.297 1.00 0.00 N ATOM 694 CA GLU A 43 2.687 -8.419 6.631 1.00 0.00 C ATOM 695 C GLU A 43 4.085 -7.826 6.432 1.00 0.00 C ATOM 696 O GLU A 43 5.046 -8.552 6.169 1.00 0.00 O ATOM 697 CB GLU A 43 2.200 -8.223 8.073 1.00 0.00 C ATOM 698 CG GLU A 43 3.120 -8.870 9.110 1.00 0.00 C ATOM 699 CD GLU A 43 2.699 -8.568 10.553 1.00 0.00 C ATOM 700 OE1 GLU A 43 1.802 -7.727 10.805 1.00 0.00 O ATOM 701 OE2 GLU A 43 3.294 -9.191 11.459 1.00 0.00 O ATOM 0 H GLU A 43 3.609 -10.265 6.359 1.00 0.00 H new ATOM 0 HA GLU A 43 2.003 -7.893 5.965 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.121 -7.156 8.282 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.199 -8.642 8.172 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.128 -9.949 8.958 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.140 -8.518 8.953 1.00 0.00 H new ATOM 708 N THR A 44 4.213 -6.517 6.604 1.00 0.00 N ATOM 709 CA THR A 44 5.451 -5.753 6.732 1.00 0.00 C ATOM 710 C THR A 44 5.515 -5.131 8.125 1.00 0.00 C ATOM 711 O THR A 44 4.479 -4.747 8.669 1.00 0.00 O ATOM 712 CB THR A 44 5.649 -4.740 5.611 1.00 0.00 C ATOM 713 OG1 THR A 44 6.939 -4.166 5.585 1.00 0.00 O ATOM 714 CG2 THR A 44 4.673 -3.632 5.734 1.00 0.00 C ATOM 0 H THR A 44 3.392 -5.914 6.662 1.00 0.00 H new ATOM 0 HA THR A 44 6.293 -6.437 6.621 1.00 0.00 H new ATOM 0 HB THR A 44 5.505 -5.304 4.689 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.999 -3.529 4.843 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.829 -2.918 4.925 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.660 -4.031 5.675 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.811 -3.131 6.692 1.00 0.00 H new ATOM 722 N PRO A 45 6.730 -4.968 8.669 1.00 0.00 N ATOM 723 CA PRO A 45 6.970 -4.107 9.806 1.00 0.00 C ATOM 724 C PRO A 45 7.065 -2.610 9.435 1.00 0.00 C ATOM 725 O PRO A 45 7.239 -1.776 10.320 1.00 0.00 O ATOM 726 CB PRO A 45 8.265 -4.636 10.405 1.00 0.00 C ATOM 727 CG PRO A 45 9.024 -5.307 9.271 1.00 0.00 C ATOM 728 CD PRO A 45 7.949 -5.651 8.257 1.00 0.00 C ATOM 0 HA PRO A 45 6.139 -4.136 10.510 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.851 -3.826 10.838 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.060 -5.345 11.207 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.775 -4.641 8.845 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.547 -6.199 9.615 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.248 -5.334 7.258 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.790 -6.729 8.216 1.00 0.00 H new ATOM 736 N ALA A 46 6.927 -2.243 8.158 1.00 0.00 N ATOM 737 CA ALA A 46 6.999 -0.860 7.685 1.00 0.00 C ATOM 738 C ALA A 46 5.675 -0.138 8.000 1.00 0.00 C ATOM 739 O ALA A 46 4.707 -0.787 8.414 1.00 0.00 O ATOM 740 CB ALA A 46 7.187 -0.914 6.162 1.00 0.00 C ATOM 0 H ALA A 46 6.759 -2.914 7.409 1.00 0.00 H new ATOM 0 HA ALA A 46 7.818 -0.327 8.168 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.246 0.100 5.766 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.107 -1.449 5.928 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.341 -1.432 5.709 1.00 0.00 H new ATOM 746 N LYS A 47 5.553 1.173 7.735 1.00 0.00 N ATOM 747 CA LYS A 47 4.256 1.816 7.765 1.00 0.00 C ATOM 748 C LYS A 47 3.599 1.434 6.447 1.00 0.00 C ATOM 749 O LYS A 47 4.256 1.441 5.399 1.00 0.00 O ATOM 750 CB LYS A 47 4.416 3.317 8.013 1.00 0.00 C ATOM 751 CG LYS A 47 5.067 4.040 6.839 1.00 0.00 C ATOM 752 CD LYS A 47 5.256 5.530 7.083 1.00 0.00 C ATOM 753 CE LYS A 47 4.903 6.349 5.838 1.00 0.00 C ATOM 754 NZ LYS A 47 5.684 7.611 5.683 1.00 0.00 N ATOM 0 H LYS A 47 6.332 1.789 7.502 1.00 0.00 H new ATOM 0 HA LYS A 47 3.614 1.493 8.584 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.437 3.756 8.207 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.018 3.471 8.909 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.037 3.586 6.634 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.454 3.899 5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.630 5.846 7.918 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.290 5.725 7.368 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.060 5.729 4.955 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.842 6.596 5.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.095 8.329 5.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.973 7.958 6.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.530 7.427 5.106 1.00 0.00 H new ATOM 768 N VAL A 48 2.350 1.008 6.506 1.00 0.00 N ATOM 769 CA VAL A 48 1.546 0.570 5.424 1.00 0.00 C ATOM 770 C VAL A 48 0.206 1.192 5.696 1.00 0.00 C ATOM 771 O VAL A 48 -0.216 1.330 6.843 1.00 0.00 O ATOM 772 CB VAL A 48 1.423 -0.941 5.459 1.00 0.00 C ATOM 773 CG1 VAL A 48 2.706 -1.596 4.976 1.00 0.00 C ATOM 774 CG2 VAL A 48 1.031 -1.528 6.818 1.00 0.00 C ATOM 0 H VAL A 48 1.849 0.963 7.393 1.00 0.00 H new ATOM 0 HA VAL A 48 1.954 0.845 4.451 1.00 0.00 H new ATOM 0 HB VAL A 48 0.597 -1.166 4.785 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.596 -2.680 5.009 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.911 -1.283 3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.533 -1.295 5.620 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.969 -2.614 6.741 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.782 -1.259 7.561 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.063 -1.130 7.121 1.00 0.00 H new ATOM 784 N TYR A 49 -0.457 1.537 4.620 1.00 0.00 N ATOM 785 CA TYR A 49 -1.761 2.142 4.633 1.00 0.00 C ATOM 786 C TYR A 49 -2.370 1.814 3.271 1.00 0.00 C ATOM 787 O TYR A 49 -1.646 1.413 2.366 1.00 0.00 O ATOM 788 CB TYR A 49 -1.576 3.651 4.813 1.00 0.00 C ATOM 789 CG TYR A 49 -0.822 4.156 6.047 1.00 0.00 C ATOM 790 CD1 TYR A 49 -1.497 4.340 7.270 1.00 0.00 C ATOM 791 CD2 TYR A 49 0.555 4.472 5.977 1.00 0.00 C ATOM 792 CE1 TYR A 49 -0.830 4.834 8.405 1.00 0.00 C ATOM 793 CE2 TYR A 49 1.219 4.998 7.099 1.00 0.00 C ATOM 794 CZ TYR A 49 0.535 5.178 8.318 1.00 0.00 C ATOM 795 OH TYR A 49 1.192 5.687 9.396 1.00 0.00 O ATOM 0 H TYR A 49 -0.088 1.398 3.679 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.406 1.783 5.435 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.058 4.028 3.931 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.566 4.107 4.821 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.547 4.097 7.337 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.098 4.309 5.058 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.360 4.949 9.339 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.263 5.267 7.026 1.00 0.00 H new ATOM 0 HH TYR A 49 2.125 5.866 9.156 1.00 0.00 H new ATOM 805 N ALA A 50 -3.661 2.007 3.060 1.00 0.00 N ATOM 806 CA ALA A 50 -4.295 1.850 1.752 1.00 0.00 C ATOM 807 C ALA A 50 -5.237 3.034 1.540 1.00 0.00 C ATOM 808 O ALA A 50 -5.681 3.646 2.514 1.00 0.00 O ATOM 809 CB ALA A 50 -5.075 0.556 1.761 1.00 0.00 C ATOM 0 H ALA A 50 -4.310 2.280 3.798 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.558 1.823 0.949 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.558 0.416 0.794 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.397 -0.276 1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.833 0.593 2.543 1.00 0.00 H new ATOM 815 N ILE A 51 -5.580 3.351 0.295 1.00 0.00 N ATOM 816 CA ILE A 51 -6.517 4.422 -0.006 1.00 0.00 C ATOM 817 C ILE A 51 -7.932 3.914 0.206 1.00 0.00 C ATOM 818 O ILE A 51 -8.441 3.088 -0.544 1.00 0.00 O ATOM 819 CB ILE A 51 -6.234 4.996 -1.415 1.00 0.00 C ATOM 820 CG1 ILE A 51 -4.925 5.790 -1.516 1.00 0.00 C ATOM 821 CG2 ILE A 51 -7.359 5.931 -1.886 1.00 0.00 C ATOM 822 CD1 ILE A 51 -4.562 6.658 -0.314 1.00 0.00 C ATOM 0 H ILE A 51 -5.216 2.873 -0.529 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.391 5.265 0.673 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.162 4.110 -2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.111 5.086 -1.687 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.982 6.431 -2.396 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.123 6.313 -2.879 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.299 5.380 -1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.455 6.764 -1.190 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.618 7.168 -0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.346 7.396 -0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.462 6.030 0.571 1.00 0.00 H new ATOM 834 N LYS A 52 -8.583 4.462 1.236 1.00 0.00 N ATOM 835 CA LYS A 52 -9.949 4.147 1.608 1.00 0.00 C ATOM 836 C LYS A 52 -10.880 4.253 0.415 1.00 0.00 C ATOM 837 O LYS A 52 -11.652 3.338 0.173 1.00 0.00 O ATOM 838 CB LYS A 52 -10.386 5.048 2.780 1.00 0.00 C ATOM 839 CG LYS A 52 -11.745 4.602 3.336 1.00 0.00 C ATOM 840 CD LYS A 52 -12.213 5.393 4.561 1.00 0.00 C ATOM 841 CE LYS A 52 -12.574 6.838 4.196 1.00 0.00 C ATOM 842 NZ LYS A 52 -13.274 7.506 5.309 1.00 0.00 N ATOM 0 H LYS A 52 -8.154 5.157 1.847 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.002 3.111 1.944 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.636 5.013 3.570 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.448 6.083 2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -12.494 4.694 2.550 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.688 3.546 3.600 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.080 4.901 5.003 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.427 5.393 5.316 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.668 7.391 3.947 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.206 6.845 3.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.507 8.482 5.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.150 6.989 5.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.660 7.518 6.148 1.00 0.00 H new ATOM 856 N ASP A 53 -10.844 5.364 -0.313 1.00 0.00 N ATOM 857 CA ASP A 53 -11.832 5.592 -1.358 1.00 0.00 C ATOM 858 C ASP A 53 -11.683 4.604 -2.494 1.00 0.00 C ATOM 859 O ASP A 53 -12.697 4.092 -2.955 1.00 0.00 O ATOM 860 CB ASP A 53 -11.741 7.008 -1.907 1.00 0.00 C ATOM 861 CG ASP A 53 -12.475 7.958 -0.980 1.00 0.00 C ATOM 862 OD1 ASP A 53 -13.727 7.954 -0.951 1.00 0.00 O ATOM 863 OD2 ASP A 53 -11.794 8.675 -0.218 1.00 0.00 O ATOM 0 H ASP A 53 -10.155 6.107 -0.202 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.810 5.451 -0.898 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.697 7.307 -1.999 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.174 7.051 -2.906 1.00 0.00 H new ATOM 868 N ASP A 54 -10.462 4.320 -2.957 1.00 0.00 N ATOM 869 CA ASP A 54 -10.280 3.291 -3.973 1.00 0.00 C ATOM 870 C ASP A 54 -10.650 1.914 -3.416 1.00 0.00 C ATOM 871 O ASP A 54 -11.353 1.178 -4.095 1.00 0.00 O ATOM 872 CB ASP A 54 -8.879 3.348 -4.591 1.00 0.00 C ATOM 873 CG ASP A 54 -7.997 2.166 -4.237 1.00 0.00 C ATOM 874 OD1 ASP A 54 -8.230 1.080 -4.801 1.00 0.00 O ATOM 875 OD2 ASP A 54 -7.008 2.395 -3.516 1.00 0.00 O ATOM 0 H ASP A 54 -9.605 4.779 -2.650 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.966 3.487 -4.797 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.974 3.405 -5.675 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.387 4.265 -4.266 1.00 0.00 H new ATOM 880 N PHE A 55 -10.311 1.609 -2.157 1.00 0.00 N ATOM 881 CA PHE A 55 -10.645 0.337 -1.506 1.00 0.00 C ATOM 882 C PHE A 55 -12.151 0.115 -1.529 1.00 0.00 C ATOM 883 O PHE A 55 -12.621 -0.953 -1.917 1.00 0.00 O ATOM 884 CB PHE A 55 -10.113 0.313 -0.058 1.00 0.00 C ATOM 885 CG PHE A 55 -10.075 -1.067 0.571 1.00 0.00 C ATOM 886 CD1 PHE A 55 -8.946 -1.873 0.365 1.00 0.00 C ATOM 887 CD2 PHE A 55 -11.141 -1.575 1.334 1.00 0.00 C ATOM 888 CE1 PHE A 55 -8.905 -3.206 0.805 1.00 0.00 C ATOM 889 CE2 PHE A 55 -11.058 -2.881 1.851 1.00 0.00 C ATOM 890 CZ PHE A 55 -9.970 -3.713 1.556 1.00 0.00 C ATOM 0 H PHE A 55 -9.791 2.247 -1.555 1.00 0.00 H new ATOM 0 HA PHE A 55 -10.167 -0.473 -2.057 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.107 0.733 -0.046 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.737 0.962 0.556 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.088 -1.459 -0.144 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -12.015 -0.969 1.521 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.059 -3.833 0.566 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -11.849 -3.249 2.488 1.00 0.00 H new ATOM 0 HZ PHE A 55 -9.954 -4.735 1.905 1.00 0.00 H new ATOM 900 N LEU A 56 -12.907 1.133 -1.136 1.00 0.00 N ATOM 901 CA LEU A 56 -14.359 1.135 -1.117 1.00 0.00 C ATOM 902 C LEU A 56 -14.913 1.099 -2.524 1.00 0.00 C ATOM 903 O LEU A 56 -15.922 0.435 -2.759 1.00 0.00 O ATOM 904 CB LEU A 56 -14.834 2.402 -0.400 1.00 0.00 C ATOM 905 CG LEU A 56 -14.523 2.353 1.103 1.00 0.00 C ATOM 906 CD1 LEU A 56 -14.882 3.715 1.711 1.00 0.00 C ATOM 907 CD2 LEU A 56 -15.325 1.264 1.831 1.00 0.00 C ATOM 0 H LEU A 56 -12.507 2.013 -0.810 1.00 0.00 H new ATOM 0 HA LEU A 56 -14.716 0.249 -0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.352 3.274 -0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.907 2.522 -0.546 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.465 2.120 1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -14.669 3.704 2.780 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -14.290 4.495 1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -15.942 3.915 1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -15.069 1.271 2.890 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.391 1.458 1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.085 0.290 1.406 1.00 0.00 H new ATOM 919 N ALA A 57 -14.258 1.778 -3.465 1.00 0.00 N ATOM 920 CA ALA A 57 -14.621 1.698 -4.865 1.00 0.00 C ATOM 921 C ALA A 57 -14.354 0.295 -5.411 1.00 0.00 C ATOM 922 O ALA A 57 -14.941 -0.073 -6.430 1.00 0.00 O ATOM 923 CB ALA A 57 -13.863 2.747 -5.687 1.00 0.00 C ATOM 0 H ALA A 57 -13.467 2.393 -3.273 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.688 1.905 -4.950 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -14.153 2.667 -6.735 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.106 3.743 -5.318 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.790 2.577 -5.593 1.00 0.00 H new ATOM 929 N ARG A 58 -13.523 -0.515 -4.742 1.00 0.00 N ATOM 930 CA ARG A 58 -13.117 -1.819 -5.258 1.00 0.00 C ATOM 931 C ARG A 58 -14.039 -2.889 -4.678 1.00 0.00 C ATOM 932 O ARG A 58 -13.641 -4.048 -4.588 1.00 0.00 O ATOM 933 CB ARG A 58 -11.643 -2.040 -4.812 1.00 0.00 C ATOM 934 CG ARG A 58 -10.602 -2.170 -5.928 1.00 0.00 C ATOM 935 CD ARG A 58 -10.104 -3.613 -6.075 1.00 0.00 C ATOM 936 NE ARG A 58 -11.160 -4.472 -6.632 1.00 0.00 N ATOM 937 CZ ARG A 58 -11.346 -4.699 -7.936 1.00 0.00 C ATOM 938 NH1 ARG A 58 -10.387 -4.466 -8.827 1.00 0.00 N ATOM 939 NH2 ARG A 58 -12.523 -5.141 -8.351 1.00 0.00 N ATOM 0 H ARG A 58 -13.118 -0.283 -3.835 1.00 0.00 H new ATOM 0 HA ARG A 58 -13.187 -1.873 -6.344 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -11.353 -1.208 -4.170 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.603 -2.942 -4.202 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -11.036 -1.837 -6.871 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -9.758 -1.514 -5.716 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.229 -3.637 -6.724 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.791 -3.996 -5.104 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.796 -4.927 -5.977 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.483 -4.105 -8.521 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.555 -4.648 -9.816 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.273 -5.304 -7.679 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -12.680 -5.319 -9.343 1.00 0.00 H new ATOM 953 N GLY A 59 -15.323 -2.578 -4.494 1.00 0.00 N ATOM 954 CA GLY A 59 -16.310 -3.493 -3.945 1.00 0.00 C ATOM 955 C GLY A 59 -15.842 -4.184 -2.659 1.00 0.00 C ATOM 956 O GLY A 59 -15.913 -5.409 -2.579 1.00 0.00 O ATOM 0 H GLY A 59 -15.708 -1.663 -4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -17.230 -2.945 -3.742 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -16.548 -4.251 -4.691 1.00 0.00 H new ATOM 960 N TYR A 60 -15.366 -3.421 -1.669 1.00 0.00 N ATOM 961 CA TYR A 60 -14.953 -3.901 -0.355 1.00 0.00 C ATOM 962 C TYR A 60 -15.589 -3.027 0.734 1.00 0.00 C ATOM 963 O TYR A 60 -16.363 -2.122 0.420 1.00 0.00 O ATOM 964 CB TYR A 60 -13.424 -3.889 -0.270 1.00 0.00 C ATOM 965 CG TYR A 60 -12.742 -5.162 -0.714 1.00 0.00 C ATOM 966 CD1 TYR A 60 -12.580 -6.215 0.200 1.00 0.00 C ATOM 967 CD2 TYR A 60 -12.235 -5.283 -2.017 1.00 0.00 C ATOM 968 CE1 TYR A 60 -12.041 -7.440 -0.222 1.00 0.00 C ATOM 969 CE2 TYR A 60 -11.678 -6.501 -2.447 1.00 0.00 C ATOM 970 CZ TYR A 60 -11.608 -7.595 -1.555 1.00 0.00 C ATOM 971 OH TYR A 60 -11.103 -8.787 -1.973 1.00 0.00 O ATOM 0 H TYR A 60 -15.255 -2.412 -1.770 1.00 0.00 H new ATOM 0 HA TYR A 60 -15.293 -4.925 -0.202 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -13.049 -3.065 -0.877 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -13.136 -3.682 0.761 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.871 -6.082 1.231 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -12.273 -4.440 -2.691 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -11.958 -8.263 0.473 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -11.305 -6.600 -3.456 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.853 -8.723 -2.918 1.00 0.00 H new ATOM 981 N SER A 61 -15.303 -3.318 2.007 1.00 0.00 N ATOM 982 CA SER A 61 -15.832 -2.647 3.188 1.00 0.00 C ATOM 983 C SER A 61 -14.659 -2.250 4.073 1.00 0.00 C ATOM 984 O SER A 61 -13.577 -2.822 3.942 1.00 0.00 O ATOM 985 CB SER A 61 -16.735 -3.633 3.932 1.00 0.00 C ATOM 986 OG SER A 61 -17.780 -3.018 4.640 1.00 0.00 O ATOM 0 H SER A 61 -14.659 -4.071 2.249 1.00 0.00 H new ATOM 0 HA SER A 61 -16.404 -1.759 2.917 1.00 0.00 H new ATOM 0 HB2 SER A 61 -17.158 -4.336 3.215 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.129 -4.213 4.628 1.00 0.00 H new ATOM 0 HG SER A 61 -18.318 -3.703 5.090 1.00 0.00 H new ATOM 992 N GLU A 62 -14.845 -1.318 5.005 1.00 0.00 N ATOM 993 CA GLU A 62 -13.730 -0.801 5.773 1.00 0.00 C ATOM 994 C GLU A 62 -13.120 -1.899 6.637 1.00 0.00 C ATOM 995 O GLU A 62 -11.896 -2.038 6.670 1.00 0.00 O ATOM 996 CB GLU A 62 -14.114 0.424 6.609 1.00 0.00 C ATOM 997 CG GLU A 62 -14.540 1.607 5.730 1.00 0.00 C ATOM 998 CD GLU A 62 -14.541 2.967 6.446 1.00 0.00 C ATOM 999 OE1 GLU A 62 -13.697 3.225 7.336 1.00 0.00 O ATOM 1000 OE2 GLU A 62 -15.382 3.818 6.083 1.00 0.00 O ATOM 0 H GLU A 62 -15.751 -0.912 5.241 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.975 -0.463 5.063 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.929 0.162 7.284 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.268 0.719 7.230 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.872 1.664 4.871 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.541 1.414 5.343 1.00 0.00 H new ATOM 1007 N GLU A 63 -13.946 -2.700 7.311 1.00 0.00 N ATOM 1008 CA GLU A 63 -13.457 -3.773 8.173 1.00 0.00 C ATOM 1009 C GLU A 63 -13.035 -5.033 7.387 1.00 0.00 C ATOM 1010 O GLU A 63 -12.626 -6.030 7.984 1.00 0.00 O ATOM 1011 CB GLU A 63 -14.451 -4.066 9.320 1.00 0.00 C ATOM 1012 CG GLU A 63 -13.967 -3.447 10.643 1.00 0.00 C ATOM 1013 CD GLU A 63 -14.718 -3.986 11.864 1.00 0.00 C ATOM 1014 OE1 GLU A 63 -14.336 -5.074 12.346 1.00 0.00 O ATOM 1015 OE2 GLU A 63 -15.652 -3.327 12.387 1.00 0.00 O ATOM 0 H GLU A 63 -14.963 -2.624 7.275 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.538 -3.419 8.639 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.433 -3.667 9.066 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.566 -5.143 9.439 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.902 -3.644 10.762 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.088 -2.365 10.597 1.00 0.00 H new ATOM 1022 N ASP A 64 -13.103 -5.022 6.049 1.00 0.00 N ATOM 1023 CA ASP A 64 -12.486 -6.077 5.232 1.00 0.00 C ATOM 1024 C ASP A 64 -10.995 -5.808 4.996 1.00 0.00 C ATOM 1025 O ASP A 64 -10.284 -6.711 4.560 1.00 0.00 O ATOM 1026 CB ASP A 64 -13.170 -6.235 3.866 1.00 0.00 C ATOM 1027 CG ASP A 64 -14.476 -7.016 3.916 1.00 0.00 C ATOM 1028 OD1 ASP A 64 -14.433 -8.263 3.900 1.00 0.00 O ATOM 1029 OD2 ASP A 64 -15.554 -6.382 3.926 1.00 0.00 O ATOM 0 H ASP A 64 -13.577 -4.297 5.510 1.00 0.00 H new ATOM 0 HA ASP A 64 -12.611 -6.998 5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.365 -5.246 3.452 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.484 -6.737 3.183 1.00 0.00 H new ATOM 1034 N SER A 65 -10.495 -4.591 5.234 1.00 0.00 N ATOM 1035 CA SER A 65 -9.094 -4.273 4.993 1.00 0.00 C ATOM 1036 C SER A 65 -8.257 -4.699 6.196 1.00 0.00 C ATOM 1037 O SER A 65 -8.506 -4.214 7.306 1.00 0.00 O ATOM 1038 CB SER A 65 -8.950 -2.761 4.767 1.00 0.00 C ATOM 1039 OG SER A 65 -7.592 -2.366 4.673 1.00 0.00 O ATOM 0 H SER A 65 -11.046 -3.812 5.594 1.00 0.00 H new ATOM 0 HA SER A 65 -8.744 -4.807 4.109 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.474 -2.479 3.854 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.428 -2.225 5.587 1.00 0.00 H new ATOM 0 HG SER A 65 -7.335 -1.883 5.486 1.00 0.00 H new ATOM 1045 N LYS A 66 -7.198 -5.492 5.979 1.00 0.00 N ATOM 1046 CA LYS A 66 -6.235 -5.795 7.045 1.00 0.00 C ATOM 1047 C LYS A 66 -5.069 -4.807 7.058 1.00 0.00 C ATOM 1048 O LYS A 66 -3.949 -5.196 7.407 1.00 0.00 O ATOM 1049 CB LYS A 66 -5.770 -7.267 6.907 1.00 0.00 C ATOM 1050 CG LYS A 66 -4.980 -7.588 5.619 1.00 0.00 C ATOM 1051 CD LYS A 66 -3.780 -8.534 5.771 1.00 0.00 C ATOM 1052 CE LYS A 66 -3.011 -8.697 4.436 1.00 0.00 C ATOM 1053 NZ LYS A 66 -1.842 -9.591 4.568 1.00 0.00 N ATOM 0 H LYS A 66 -6.988 -5.931 5.083 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.723 -5.679 8.013 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.149 -7.517 7.767 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.647 -7.914 6.947 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.669 -8.024 4.896 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.623 -6.650 5.194 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.106 -8.148 6.535 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.126 -9.509 6.114 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.685 -9.094 3.677 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.680 -7.719 4.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.302 -9.590 3.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.235 -9.256 5.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.166 -10.557 4.775 1.00 0.00 H new ATOM 1067 N VAL A 67 -5.319 -3.523 6.775 1.00 0.00 N ATOM 1068 CA VAL A 67 -4.362 -2.418 6.885 1.00 0.00 C ATOM 1069 C VAL A 67 -5.163 -1.123 7.088 1.00 0.00 C ATOM 1070 O VAL A 67 -6.331 -1.066 6.682 1.00 0.00 O ATOM 1071 CB VAL A 67 -3.412 -2.306 5.655 1.00 0.00 C ATOM 1072 CG1 VAL A 67 -2.992 -3.645 5.044 1.00 0.00 C ATOM 1073 CG2 VAL A 67 -3.917 -1.397 4.526 1.00 0.00 C ATOM 0 H VAL A 67 -6.234 -3.213 6.449 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.706 -2.605 7.735 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.538 -1.840 6.109 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.332 -3.466 4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.467 -4.238 5.793 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.877 -4.185 4.709 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.188 -1.384 3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.868 -1.776 4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.054 -0.385 4.907 1.00 0.00 H new ATOM 1083 N PRO A 68 -4.543 -0.058 7.621 1.00 0.00 N ATOM 1084 CA PRO A 68 -5.232 1.182 7.918 1.00 0.00 C ATOM 1085 C PRO A 68 -5.617 1.900 6.630 1.00 0.00 C ATOM 1086 O PRO A 68 -4.771 2.273 5.810 1.00 0.00 O ATOM 1087 CB PRO A 68 -4.303 1.983 8.828 1.00 0.00 C ATOM 1088 CG PRO A 68 -2.914 1.419 8.551 1.00 0.00 C ATOM 1089 CD PRO A 68 -3.146 0.019 8.010 1.00 0.00 C ATOM 0 HA PRO A 68 -6.178 1.023 8.435 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.350 3.049 8.604 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.577 1.866 9.876 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -2.377 2.035 7.829 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.312 1.394 9.459 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.496 -0.178 7.157 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.914 -0.731 8.767 1.00 0.00 H new ATOM 1097 N LEU A 69 -6.922 2.073 6.462 1.00 0.00 N ATOM 1098 CA LEU A 69 -7.543 2.792 5.369 1.00 0.00 C ATOM 1099 C LEU A 69 -7.467 4.281 5.640 1.00 0.00 C ATOM 1100 O LEU A 69 -8.158 4.795 6.521 1.00 0.00 O ATOM 1101 CB LEU A 69 -9.005 2.335 5.249 1.00 0.00 C ATOM 1102 CG LEU A 69 -9.222 0.874 4.845 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -10.718 0.591 4.764 1.00 0.00 C ATOM 1104 CD2 LEU A 69 -8.576 0.568 3.499 1.00 0.00 C ATOM 0 H LEU A 69 -7.605 1.695 7.119 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.025 2.585 4.432 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.497 2.503 6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.505 2.971 4.518 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.757 0.238 5.598 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.877 -0.448 4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.176 0.773 5.736 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.173 1.246 4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.749 -0.477 3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.013 1.207 2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.504 0.754 3.559 1.00 0.00 H new ATOM 1116 N ILE A 70 -6.629 4.962 4.873 1.00 0.00 N ATOM 1117 CA ILE A 70 -6.369 6.387 4.987 1.00 0.00 C ATOM 1118 C ILE A 70 -6.974 7.124 3.796 1.00 0.00 C ATOM 1119 O ILE A 70 -7.450 6.508 2.837 1.00 0.00 O ATOM 1120 CB ILE A 70 -4.857 6.635 5.146 1.00 0.00 C ATOM 1121 CG1 ILE A 70 -4.054 6.499 3.828 1.00 0.00 C ATOM 1122 CG2 ILE A 70 -4.321 5.766 6.298 1.00 0.00 C ATOM 1123 CD1 ILE A 70 -2.585 6.902 3.962 1.00 0.00 C ATOM 0 H ILE A 70 -6.092 4.520 4.127 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.849 6.785 5.881 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.709 7.682 5.411 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.109 5.466 3.484 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.523 7.116 3.061 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.251 5.937 6.415 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.834 6.030 7.222 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.498 4.714 6.073 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.085 6.781 3.001 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.521 7.944 4.276 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.100 6.269 4.705 1.00 0.00 H new ATOM 1135 N THR A 71 -6.960 8.449 3.843 1.00 0.00 N ATOM 1136 CA THR A 71 -7.442 9.248 2.735 1.00 0.00 C ATOM 1137 C THR A 71 -6.370 9.355 1.643 1.00 0.00 C ATOM 1138 O THR A 71 -5.169 9.194 1.887 1.00 0.00 O ATOM 1139 CB THR A 71 -7.883 10.616 3.267 1.00 0.00 C ATOM 1140 OG1 THR A 71 -6.786 11.338 3.767 1.00 0.00 O ATOM 1141 CG2 THR A 71 -8.925 10.479 4.381 1.00 0.00 C ATOM 0 H THR A 71 -6.619 8.989 4.638 1.00 0.00 H new ATOM 0 HA THR A 71 -8.305 8.771 2.271 1.00 0.00 H new ATOM 0 HB THR A 71 -8.326 11.151 2.427 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.708 12.189 3.287 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.214 11.469 4.733 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.803 9.961 3.996 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.501 9.909 5.208 1.00 0.00 H new ATOM 1149 N TYR A 72 -6.794 9.726 0.433 1.00 0.00 N ATOM 1150 CA TYR A 72 -5.900 10.062 -0.676 1.00 0.00 C ATOM 1151 C TYR A 72 -4.844 11.088 -0.282 1.00 0.00 C ATOM 1152 O TYR A 72 -3.765 11.045 -0.863 1.00 0.00 O ATOM 1153 CB TYR A 72 -6.738 10.625 -1.850 1.00 0.00 C ATOM 1154 CG TYR A 72 -6.967 9.719 -3.045 1.00 0.00 C ATOM 1155 CD1 TYR A 72 -6.052 9.762 -4.108 1.00 0.00 C ATOM 1156 CD2 TYR A 72 -8.099 8.888 -3.144 1.00 0.00 C ATOM 1157 CE1 TYR A 72 -6.195 8.918 -5.218 1.00 0.00 C ATOM 1158 CE2 TYR A 72 -8.322 8.136 -4.317 1.00 0.00 C ATOM 1159 CZ TYR A 72 -7.368 8.156 -5.361 1.00 0.00 C ATOM 1160 OH TYR A 72 -7.568 7.475 -6.521 1.00 0.00 O ATOM 0 H TYR A 72 -7.782 9.802 0.193 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.381 9.149 -0.968 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.712 10.917 -1.458 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.252 11.534 -2.205 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.225 10.456 -4.070 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.797 8.826 -2.322 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.410 8.854 -5.957 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.221 7.545 -4.418 1.00 0.00 H new ATOM 0 HH TYR A 72 -8.420 6.993 -6.475 1.00 0.00 H new ATOM 1170 N SER A 73 -5.144 11.991 0.653 1.00 0.00 N ATOM 1171 CA SER A 73 -4.293 13.092 1.058 1.00 0.00 C ATOM 1172 C SER A 73 -3.426 12.740 2.264 1.00 0.00 C ATOM 1173 O SER A 73 -2.283 13.196 2.345 1.00 0.00 O ATOM 1174 CB SER A 73 -5.211 14.273 1.344 1.00 0.00 C ATOM 1175 OG SER A 73 -6.316 13.915 2.160 1.00 0.00 O ATOM 0 H SER A 73 -6.026 11.967 1.165 1.00 0.00 H new ATOM 0 HA SER A 73 -3.586 13.336 0.265 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.641 15.062 1.835 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.576 14.682 0.402 1.00 0.00 H new ATOM 0 HG SER A 73 -6.875 14.704 2.318 1.00 0.00 H new ATOM 1181 N GLU A 74 -3.928 11.888 3.161 1.00 0.00 N ATOM 1182 CA GLU A 74 -3.112 11.268 4.202 1.00 0.00 C ATOM 1183 C GLU A 74 -1.929 10.547 3.568 1.00 0.00 C ATOM 1184 O GLU A 74 -0.824 10.662 4.087 1.00 0.00 O ATOM 1185 CB GLU A 74 -3.913 10.332 5.113 1.00 0.00 C ATOM 1186 CG GLU A 74 -4.595 11.108 6.244 1.00 0.00 C ATOM 1187 CD GLU A 74 -5.201 10.177 7.292 1.00 0.00 C ATOM 1188 OE1 GLU A 74 -6.183 9.458 7.008 1.00 0.00 O ATOM 1189 OE2 GLU A 74 -4.678 10.133 8.436 1.00 0.00 O ATOM 0 H GLU A 74 -4.909 11.610 3.184 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.744 12.065 4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.665 9.805 4.526 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.250 9.576 5.535 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.869 11.767 6.721 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.377 11.743 5.828 1.00 0.00 H new ATOM 1196 N PHE A 75 -2.126 9.865 2.432 1.00 0.00 N ATOM 1197 CA PHE A 75 -1.015 9.253 1.714 1.00 0.00 C ATOM 1198 C PHE A 75 0.034 10.307 1.386 1.00 0.00 C ATOM 1199 O PHE A 75 1.192 10.140 1.755 1.00 0.00 O ATOM 1200 CB PHE A 75 -1.488 8.556 0.438 1.00 0.00 C ATOM 1201 CG PHE A 75 -0.381 8.002 -0.462 1.00 0.00 C ATOM 1202 CD1 PHE A 75 0.857 7.548 0.039 1.00 0.00 C ATOM 1203 CD2 PHE A 75 -0.602 7.929 -1.845 1.00 0.00 C ATOM 1204 CE1 PHE A 75 1.798 6.954 -0.820 1.00 0.00 C ATOM 1205 CE2 PHE A 75 0.337 7.360 -2.718 1.00 0.00 C ATOM 1206 CZ PHE A 75 1.529 6.846 -2.194 1.00 0.00 C ATOM 0 H PHE A 75 -3.039 9.727 1.998 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.572 8.494 2.359 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.149 7.736 0.717 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.083 9.262 -0.141 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.083 7.657 1.089 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.523 8.323 -2.250 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.730 6.580 -0.422 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.143 7.319 -3.780 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.243 6.366 -2.847 1.00 0.00 H new ATOM 1216 N ILE A 76 -0.372 11.380 0.706 1.00 0.00 N ATOM 1217 CA ILE A 76 0.551 12.420 0.262 1.00 0.00 C ATOM 1218 C ILE A 76 1.331 13.000 1.438 1.00 0.00 C ATOM 1219 O ILE A 76 2.534 13.195 1.295 1.00 0.00 O ATOM 1220 CB ILE A 76 -0.204 13.528 -0.507 1.00 0.00 C ATOM 1221 CG1 ILE A 76 -1.086 12.971 -1.643 1.00 0.00 C ATOM 1222 CG2 ILE A 76 0.755 14.595 -1.049 1.00 0.00 C ATOM 1223 CD1 ILE A 76 -0.378 12.077 -2.668 1.00 0.00 C ATOM 0 H ILE A 76 -1.344 11.550 0.450 1.00 0.00 H new ATOM 0 HA ILE A 76 1.270 11.966 -0.420 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.868 13.997 0.219 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.902 12.402 -1.197 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.535 13.811 -2.172 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.187 15.357 -1.583 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.291 15.057 -0.220 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.469 14.131 -1.729 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.096 11.744 -3.418 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.419 12.640 -3.153 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.047 11.210 -2.163 1.00 0.00 H new ATOM 1235 N ASP A 77 0.674 13.250 2.570 1.00 0.00 N ATOM 1236 CA ASP A 77 1.266 13.830 3.775 1.00 0.00 C ATOM 1237 C ASP A 77 2.304 12.909 4.385 1.00 0.00 C ATOM 1238 O ASP A 77 3.274 13.370 4.980 1.00 0.00 O ATOM 1239 CB ASP A 77 0.136 14.099 4.769 1.00 0.00 C ATOM 1240 CG ASP A 77 0.533 14.161 6.243 1.00 0.00 C ATOM 1241 OD1 ASP A 77 1.294 15.066 6.641 1.00 0.00 O ATOM 1242 OD2 ASP A 77 -0.055 13.399 7.050 1.00 0.00 O ATOM 0 H ASP A 77 -0.320 13.047 2.677 1.00 0.00 H new ATOM 0 HA ASP A 77 1.780 14.757 3.519 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -0.337 15.044 4.502 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.617 13.320 4.650 1.00 0.00 H new ATOM 1247 N LEU A 78 2.135 11.600 4.204 1.00 0.00 N ATOM 1248 CA LEU A 78 3.111 10.648 4.685 1.00 0.00 C ATOM 1249 C LEU A 78 4.364 10.625 3.796 1.00 0.00 C ATOM 1250 O LEU A 78 5.338 9.976 4.177 1.00 0.00 O ATOM 1251 CB LEU A 78 2.488 9.244 4.767 1.00 0.00 C ATOM 1252 CG LEU A 78 1.381 9.115 5.825 1.00 0.00 C ATOM 1253 CD1 LEU A 78 0.517 7.898 5.504 1.00 0.00 C ATOM 1254 CD2 LEU A 78 1.961 9.002 7.233 1.00 0.00 C ATOM 0 H LEU A 78 1.333 11.185 3.729 1.00 0.00 H new ATOM 0 HA LEU A 78 3.419 10.961 5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.077 8.982 3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.273 8.521 4.987 1.00 0.00 H new ATOM 0 HG LEU A 78 0.769 10.017 5.798 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.270 7.803 6.252 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.068 8.021 4.519 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.135 7.000 5.512 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.149 8.912 7.955 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.600 8.121 7.294 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.549 9.892 7.457 1.00 0.00 H new ATOM 1266 N LEU A 79 4.347 11.278 2.627 1.00 0.00 N ATOM 1267 CA LEU A 79 5.462 11.395 1.690 1.00 0.00 C ATOM 1268 C LEU A 79 6.221 12.671 2.040 1.00 0.00 C ATOM 1269 O LEU A 79 7.123 12.639 2.869 1.00 0.00 O ATOM 1270 CB LEU A 79 4.979 11.350 0.227 1.00 0.00 C ATOM 1271 CG LEU A 79 4.153 10.101 -0.109 1.00 0.00 C ATOM 1272 CD1 LEU A 79 3.629 10.222 -1.542 1.00 0.00 C ATOM 1273 CD2 LEU A 79 4.953 8.816 0.139 1.00 0.00 C ATOM 0 H LEU A 79 3.512 11.762 2.296 1.00 0.00 H new ATOM 0 HA LEU A 79 6.138 10.545 1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.380 12.237 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.845 11.392 -0.434 1.00 0.00 H new ATOM 0 HG LEU A 79 3.293 10.035 0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.041 9.339 -1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.003 11.110 -1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.470 10.303 -2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.338 7.951 -0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.846 8.817 -0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.244 8.765 1.188 1.00 0.00 H new ATOM 1285 N GLU A 80 5.847 13.782 1.410 1.00 0.00 N ATOM 1286 CA GLU A 80 6.438 15.116 1.452 1.00 0.00 C ATOM 1287 C GLU A 80 7.924 15.095 1.826 1.00 0.00 C ATOM 1288 O GLU A 80 8.315 15.430 2.950 1.00 0.00 O ATOM 1289 CB GLU A 80 5.587 16.099 2.280 1.00 0.00 C ATOM 1290 CG GLU A 80 4.113 16.145 1.836 1.00 0.00 C ATOM 1291 CD GLU A 80 3.844 16.721 0.430 1.00 0.00 C ATOM 1292 OE1 GLU A 80 4.675 16.583 -0.502 1.00 0.00 O ATOM 1293 OE2 GLU A 80 2.731 17.232 0.188 1.00 0.00 O ATOM 0 H GLU A 80 5.036 13.767 0.792 1.00 0.00 H new ATOM 0 HA GLU A 80 6.421 15.508 0.435 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.635 15.815 3.331 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.016 17.098 2.200 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.712 15.132 1.874 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.555 16.737 2.561 1.00 0.00 H new ATOM 1300 N GLY A 81 8.756 14.663 0.875 1.00 0.00 N ATOM 1301 CA GLY A 81 10.197 14.538 1.045 1.00 0.00 C ATOM 1302 C GLY A 81 10.717 13.110 0.882 1.00 0.00 C ATOM 1303 O GLY A 81 11.932 12.917 0.986 1.00 0.00 O ATOM 0 H GLY A 81 8.435 14.386 -0.053 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.696 15.181 0.320 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.469 14.903 2.035 1.00 0.00 H new ATOM 1307 N GLU A 82 9.867 12.102 0.647 1.00 0.00 N ATOM 1308 CA GLU A 82 10.276 10.720 0.489 1.00 0.00 C ATOM 1309 C GLU A 82 9.559 10.064 -0.697 1.00 0.00 C ATOM 1310 O GLU A 82 8.646 9.265 -0.552 1.00 0.00 O ATOM 1311 CB GLU A 82 10.211 9.961 1.823 1.00 0.00 C ATOM 1312 CG GLU A 82 8.902 9.830 2.619 1.00 0.00 C ATOM 1313 CD GLU A 82 9.061 8.928 3.858 1.00 0.00 C ATOM 1314 OE1 GLU A 82 10.197 8.755 4.358 1.00 0.00 O ATOM 1315 OE2 GLU A 82 8.062 8.391 4.388 1.00 0.00 O ATOM 0 H GLU A 82 8.860 12.238 0.562 1.00 0.00 H new ATOM 0 HA GLU A 82 11.331 10.678 0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.563 8.948 1.627 1.00 0.00 H new ATOM 0 HB3 GLU A 82 10.938 10.428 2.487 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.569 10.819 2.933 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.125 9.422 1.972 1.00 0.00 H new ATOM 1322 N GLU A 83 9.991 10.396 -1.912 1.00 0.00 N ATOM 1323 CA GLU A 83 9.378 9.955 -3.165 1.00 0.00 C ATOM 1324 C GLU A 83 9.945 8.613 -3.668 1.00 0.00 C ATOM 1325 O GLU A 83 10.314 8.482 -4.836 1.00 0.00 O ATOM 1326 CB GLU A 83 9.516 11.076 -4.206 1.00 0.00 C ATOM 1327 CG GLU A 83 8.588 12.279 -3.994 1.00 0.00 C ATOM 1328 CD GLU A 83 8.994 13.439 -4.913 1.00 0.00 C ATOM 1329 OE1 GLU A 83 10.099 13.994 -4.685 1.00 0.00 O ATOM 1330 OE2 GLU A 83 8.257 13.773 -5.874 1.00 0.00 O ATOM 0 H GLU A 83 10.802 10.998 -2.057 1.00 0.00 H new ATOM 0 HA GLU A 83 8.320 9.761 -2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.548 11.428 -4.204 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.324 10.658 -5.194 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.557 11.990 -4.197 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.631 12.600 -2.953 1.00 0.00 H new ATOM 1337 N LYS A 84 10.039 7.584 -2.817 1.00 0.00 N ATOM 1338 CA LYS A 84 10.741 6.338 -3.173 1.00 0.00 C ATOM 1339 C LYS A 84 9.949 5.070 -2.888 1.00 0.00 C ATOM 1340 O LYS A 84 10.543 4.006 -2.701 1.00 0.00 O ATOM 1341 CB LYS A 84 12.051 6.375 -2.365 1.00 0.00 C ATOM 1342 CG LYS A 84 13.143 7.194 -3.067 1.00 0.00 C ATOM 1343 CD LYS A 84 13.909 8.077 -2.082 1.00 0.00 C ATOM 1344 CE LYS A 84 13.034 9.264 -1.672 1.00 0.00 C ATOM 1345 NZ LYS A 84 13.759 10.208 -0.794 1.00 0.00 N ATOM 0 H LYS A 84 9.640 7.586 -1.878 1.00 0.00 H new ATOM 0 HA LYS A 84 10.906 6.297 -4.250 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.857 6.801 -1.381 1.00 0.00 H new ATOM 0 HB3 LYS A 84 12.408 5.357 -2.208 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.838 6.520 -3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.691 7.817 -3.839 1.00 0.00 H new ATOM 0 HD2 LYS A 84 14.191 7.499 -1.202 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.832 8.433 -2.539 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.692 9.788 -2.565 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.145 8.899 -1.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.238 11.107 -0.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.840 9.802 0.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.710 10.380 -1.179 1.00 0.00 H new ATOM 1359 N PHE A 85 8.632 5.120 -3.089 1.00 0.00 N ATOM 1360 CA PHE A 85 7.690 4.048 -2.756 1.00 0.00 C ATOM 1361 C PHE A 85 6.265 4.582 -2.862 1.00 0.00 C ATOM 1362 O PHE A 85 5.508 4.633 -1.891 1.00 0.00 O ATOM 1363 CB PHE A 85 7.994 3.416 -1.376 1.00 0.00 C ATOM 1364 CG PHE A 85 8.584 4.368 -0.334 1.00 0.00 C ATOM 1365 CD1 PHE A 85 7.995 5.622 -0.068 1.00 0.00 C ATOM 1366 CD2 PHE A 85 9.790 4.033 0.311 1.00 0.00 C ATOM 1367 CE1 PHE A 85 8.602 6.523 0.816 1.00 0.00 C ATOM 1368 CE2 PHE A 85 10.422 4.962 1.153 1.00 0.00 C ATOM 1369 CZ PHE A 85 9.836 6.209 1.401 1.00 0.00 C ATOM 0 H PHE A 85 8.175 5.934 -3.501 1.00 0.00 H new ATOM 0 HA PHE A 85 7.805 3.236 -3.474 1.00 0.00 H new ATOM 0 HB2 PHE A 85 7.071 2.995 -0.977 1.00 0.00 H new ATOM 0 HB3 PHE A 85 8.687 2.587 -1.520 1.00 0.00 H new ATOM 0 HD1 PHE A 85 7.067 5.890 -0.551 1.00 0.00 H new ATOM 0 HD2 PHE A 85 10.230 3.059 0.158 1.00 0.00 H new ATOM 0 HE1 PHE A 85 8.118 7.461 1.047 1.00 0.00 H new ATOM 0 HE2 PHE A 85 11.367 4.713 1.613 1.00 0.00 H new ATOM 0 HZ PHE A 85 10.332 6.925 2.040 1.00 0.00 H new ATOM 1379 N ILE A 86 5.935 5.068 -4.053 1.00 0.00 N ATOM 1380 CA ILE A 86 4.735 5.853 -4.320 1.00 0.00 C ATOM 1381 C ILE A 86 3.876 5.060 -5.308 1.00 0.00 C ATOM 1382 O ILE A 86 4.271 3.956 -5.686 1.00 0.00 O ATOM 1383 CB ILE A 86 5.105 7.265 -4.827 1.00 0.00 C ATOM 1384 CG1 ILE A 86 6.443 7.814 -4.272 1.00 0.00 C ATOM 1385 CG2 ILE A 86 4.004 8.275 -4.486 1.00 0.00 C ATOM 1386 CD1 ILE A 86 6.524 7.936 -2.741 1.00 0.00 C ATOM 0 H ILE A 86 6.510 4.923 -4.883 1.00 0.00 H new ATOM 0 HA ILE A 86 4.158 6.017 -3.410 1.00 0.00 H new ATOM 0 HB ILE A 86 5.217 7.147 -5.905 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.250 7.165 -4.611 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.621 8.797 -4.707 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.288 9.261 -4.853 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.070 7.968 -4.957 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.869 8.315 -3.405 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.500 8.329 -2.459 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.745 8.611 -2.388 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.384 6.954 -2.290 1.00 0.00 H new ATOM 1398 N GLY A 87 2.761 5.608 -5.789 1.00 0.00 N ATOM 1399 CA GLY A 87 2.160 5.200 -7.044 1.00 0.00 C ATOM 1400 C GLY A 87 1.069 6.158 -7.447 1.00 0.00 C ATOM 1401 O GLY A 87 0.737 7.068 -6.661 1.00 0.00 O ATOM 0 H GLY A 87 2.251 6.351 -5.311 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.922 5.160 -7.822 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.751 4.194 -6.947 1.00 0.00 H new TER 1405 GLY A 87