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 121:sc= 0.616 USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 0.221 USER MOD Single : A 1 MET CE :methyl 162:sc= -0.107 (180deg=-0.496) USER MOD Single : A 1 MET N :NH3+ 157:sc= 0.00141 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= -0.487 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0272 USER MOD Single : A 12 HIS : no HE2:sc= -4.28! C(o=-4.3!,f=-7!) USER MOD Single : A 16 LYS NZ :NH3+ -161:sc= -0.0238 (180deg=-0.21) USER MOD Single : A 18 LYS NZ :NH3+ 149:sc= -2.84! (180deg=-5.69!) USER MOD Single : A 21 SER OG : rot 46:sc= 1.23 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0.0889 X(o=0.089,f=-0.32) USER MOD Single : A 33 ASN : amide:sc= 0.894 K(o=0.89,f=-4.1!) USER MOD Single : A 44 THR OG1 : rot -104:sc= 0.74 USER MOD Single : A 47 LYS NZ :NH3+ 148:sc= -1.38 (180deg=-2.54!) 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 32:sc= 0.796 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -107:sc= 1.04 USER MOD Single : A 66 LYS NZ :NH3+ -174:sc= 1.23 (180deg=1.14) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.984 -0.162 -8.429 1.00 0.00 N ATOM 2 CA MET A 1 14.651 -0.769 -8.330 1.00 0.00 C ATOM 3 C MET A 1 13.736 0.242 -7.681 1.00 0.00 C ATOM 4 O MET A 1 14.027 0.709 -6.578 1.00 0.00 O ATOM 5 CB MET A 1 14.617 -2.078 -7.524 1.00 0.00 C ATOM 6 CG MET A 1 14.540 -3.312 -8.427 1.00 0.00 C ATOM 7 SD MET A 1 16.056 -3.786 -9.295 1.00 0.00 S ATOM 8 CE MET A 1 17.178 -4.092 -7.909 1.00 0.00 C ATOM 0 H1 MET A 1 16.702 -0.911 -8.495 1.00 0.00 H new ATOM 0 H2 MET A 1 16.030 0.438 -9.277 1.00 0.00 H new ATOM 0 H3 MET A 1 16.165 0.418 -7.585 1.00 0.00 H new ATOM 0 HA MET A 1 14.332 -1.033 -9.339 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.509 -2.142 -6.900 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.758 -2.067 -6.853 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.218 -4.158 -7.819 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.762 -3.140 -9.171 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.026 -4.685 -8.251 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.536 -3.141 -7.514 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.649 -4.634 -7.125 1.00 0.00 H new ATOM 18 N ALA A 2 12.630 0.562 -8.341 1.00 0.00 N ATOM 19 CA ALA A 2 11.573 1.387 -7.805 1.00 0.00 C ATOM 20 C ALA A 2 10.255 0.829 -8.329 1.00 0.00 C ATOM 21 O ALA A 2 10.190 0.199 -9.389 1.00 0.00 O ATOM 22 CB ALA A 2 11.782 2.851 -8.205 1.00 0.00 C ATOM 0 H ALA A 2 12.445 0.241 -9.292 1.00 0.00 H new ATOM 0 HA ALA A 2 11.569 1.367 -6.715 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.977 3.459 -7.793 1.00 0.00 H new ATOM 0 HB2 ALA A 2 12.738 3.202 -7.815 1.00 0.00 H new ATOM 0 HB3 ALA A 2 11.781 2.935 -9.292 1.00 0.00 H new ATOM 28 N LEU A 3 9.226 1.044 -7.529 1.00 0.00 N ATOM 29 CA LEU A 3 7.843 0.678 -7.695 1.00 0.00 C ATOM 30 C LEU A 3 7.114 1.893 -7.181 1.00 0.00 C ATOM 31 O LEU A 3 7.155 2.188 -5.984 1.00 0.00 O ATOM 32 CB LEU A 3 7.530 -0.615 -6.921 1.00 0.00 C ATOM 33 CG LEU A 3 8.173 -1.840 -7.620 1.00 0.00 C ATOM 34 CD1 LEU A 3 8.080 -3.118 -6.789 1.00 0.00 C ATOM 35 CD2 LEU A 3 7.538 -2.141 -8.986 1.00 0.00 C ATOM 0 H LEU A 3 9.364 1.537 -6.647 1.00 0.00 H new ATOM 0 HA LEU A 3 7.551 0.443 -8.719 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.905 -0.534 -5.901 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.451 -0.753 -6.854 1.00 0.00 H new ATOM 0 HG LEU A 3 9.218 -1.555 -7.744 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.547 -3.940 -7.332 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.593 -2.972 -5.839 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.033 -3.356 -6.603 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.026 -3.008 -9.431 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.476 -2.350 -8.856 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.661 -1.279 -9.642 1.00 0.00 H new ATOM 47 N VAL A 4 6.583 2.669 -8.117 1.00 0.00 N ATOM 48 CA VAL A 4 5.922 3.928 -7.835 1.00 0.00 C ATOM 49 C VAL A 4 4.528 3.892 -8.468 1.00 0.00 C ATOM 50 O VAL A 4 4.000 4.877 -8.992 1.00 0.00 O ATOM 51 CB VAL A 4 6.821 5.065 -8.344 1.00 0.00 C ATOM 52 CG1 VAL A 4 8.301 4.919 -7.942 1.00 0.00 C ATOM 53 CG2 VAL A 4 6.670 5.279 -9.849 1.00 0.00 C ATOM 0 H VAL A 4 6.602 2.433 -9.109 1.00 0.00 H new ATOM 0 HA VAL A 4 5.773 4.100 -6.769 1.00 0.00 H new ATOM 0 HB VAL A 4 6.464 5.961 -7.837 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.870 5.760 -8.338 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.383 4.905 -6.855 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.698 3.988 -8.348 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.323 6.092 -10.168 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.944 4.365 -10.376 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.635 5.533 -10.078 1.00 0.00 H new ATOM 63 N LEU A 5 3.909 2.723 -8.412 1.00 0.00 N ATOM 64 CA LEU A 5 2.646 2.434 -9.038 1.00 0.00 C ATOM 65 C LEU A 5 2.105 1.258 -8.249 1.00 0.00 C ATOM 66 O LEU A 5 2.808 0.261 -8.101 1.00 0.00 O ATOM 67 CB LEU A 5 2.830 2.123 -10.532 1.00 0.00 C ATOM 68 CG LEU A 5 3.774 0.951 -10.899 1.00 0.00 C ATOM 69 CD1 LEU A 5 2.996 -0.324 -11.250 1.00 0.00 C ATOM 70 CD2 LEU A 5 4.641 1.339 -12.100 1.00 0.00 C ATOM 0 H LEU A 5 4.295 1.925 -7.908 1.00 0.00 H new ATOM 0 HA LEU A 5 1.953 3.275 -9.020 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.849 1.912 -10.957 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.202 3.023 -11.021 1.00 0.00 H new ATOM 0 HG LEU A 5 4.394 0.749 -10.025 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.697 -1.120 -11.501 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.392 -0.628 -10.395 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.346 -0.130 -12.103 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.303 0.511 -12.354 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.001 1.566 -12.953 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.237 2.217 -11.850 1.00 0.00 H new ATOM 82 N VAL A 6 0.896 1.351 -7.715 1.00 0.00 N ATOM 83 CA VAL A 6 0.264 0.195 -7.109 1.00 0.00 C ATOM 84 C VAL A 6 -1.219 0.242 -7.425 1.00 0.00 C ATOM 85 O VAL A 6 -2.084 0.279 -6.558 1.00 0.00 O ATOM 86 CB VAL A 6 0.615 0.071 -5.620 1.00 0.00 C ATOM 87 CG1 VAL A 6 0.195 1.285 -4.788 1.00 0.00 C ATOM 88 CG2 VAL A 6 0.107 -1.278 -5.084 1.00 0.00 C ATOM 0 H VAL A 6 0.340 2.206 -7.690 1.00 0.00 H new ATOM 0 HA VAL A 6 0.652 -0.730 -7.535 1.00 0.00 H new ATOM 0 HB VAL A 6 1.700 0.075 -5.518 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.475 1.127 -3.746 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.695 2.176 -5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.885 1.418 -4.857 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.356 -1.366 -4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.974 -1.335 -5.208 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.579 -2.090 -5.637 1.00 0.00 H new ATOM 98 N LYS A 7 -1.529 0.197 -8.714 1.00 0.00 N ATOM 99 CA LYS A 7 -2.905 0.099 -9.158 1.00 0.00 C ATOM 100 C LYS A 7 -3.135 -1.171 -9.968 1.00 0.00 C ATOM 101 O LYS A 7 -4.029 -1.187 -10.811 1.00 0.00 O ATOM 102 CB LYS A 7 -3.242 1.348 -9.994 1.00 0.00 C ATOM 103 CG LYS A 7 -2.348 1.576 -11.225 1.00 0.00 C ATOM 104 CD LYS A 7 -3.124 2.372 -12.281 1.00 0.00 C ATOM 105 CE LYS A 7 -2.179 2.865 -13.371 1.00 0.00 C ATOM 106 NZ LYS A 7 -2.857 3.740 -14.348 1.00 0.00 N ATOM 0 H LYS A 7 -0.842 0.227 -9.468 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.561 0.048 -8.289 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.278 1.274 -10.326 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.176 2.225 -9.350 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.446 2.116 -10.937 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.029 0.619 -11.638 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.901 1.746 -12.720 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.624 3.220 -11.813 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.352 3.408 -12.913 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.749 2.009 -13.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.174 4.050 -15.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.630 3.216 -14.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.245 4.572 -13.859 1.00 0.00 H new ATOM 120 N TYR A 8 -2.492 -2.282 -9.610 1.00 0.00 N ATOM 121 CA TYR A 8 -2.674 -3.545 -10.323 1.00 0.00 C ATOM 122 C TYR A 8 -2.628 -4.714 -9.351 1.00 0.00 C ATOM 123 O TYR A 8 -2.087 -5.770 -9.669 1.00 0.00 O ATOM 124 CB TYR A 8 -1.572 -3.691 -11.391 1.00 0.00 C ATOM 125 CG TYR A 8 -1.541 -2.612 -12.455 1.00 0.00 C ATOM 126 CD1 TYR A 8 -2.612 -2.514 -13.361 1.00 0.00 C ATOM 127 CD2 TYR A 8 -0.443 -1.734 -12.571 1.00 0.00 C ATOM 128 CE1 TYR A 8 -2.610 -1.526 -14.358 1.00 0.00 C ATOM 129 CE2 TYR A 8 -0.431 -0.748 -13.576 1.00 0.00 C ATOM 130 CZ TYR A 8 -1.524 -0.634 -14.468 1.00 0.00 C ATOM 131 OH TYR A 8 -1.555 0.300 -15.459 1.00 0.00 O ATOM 0 H TYR A 8 -1.839 -2.332 -8.828 1.00 0.00 H new ATOM 0 HA TYR A 8 -3.649 -3.546 -10.810 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.605 -3.708 -10.889 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.693 -4.657 -11.882 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -3.441 -3.203 -13.289 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.389 -1.818 -11.888 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -3.442 -1.449 -15.042 1.00 0.00 H new ATOM 0 HE2 TYR A 8 0.412 -0.079 -13.666 1.00 0.00 H new ATOM 0 HH TYR A 8 -0.744 0.848 -15.417 1.00 0.00 H new ATOM 141 N GLY A 9 -3.208 -4.525 -8.164 1.00 0.00 N ATOM 142 CA GLY A 9 -2.990 -5.432 -7.059 1.00 0.00 C ATOM 143 C GLY A 9 -1.495 -5.516 -6.801 1.00 0.00 C ATOM 144 O GLY A 9 -0.871 -4.577 -6.297 1.00 0.00 O ATOM 0 H GLY A 9 -3.832 -3.747 -7.953 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.510 -5.078 -6.169 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.391 -6.418 -7.292 1.00 0.00 H new ATOM 148 N THR A 10 -0.928 -6.627 -7.222 1.00 0.00 N ATOM 149 CA THR A 10 0.158 -7.301 -6.523 1.00 0.00 C ATOM 150 C THR A 10 1.556 -6.807 -6.913 1.00 0.00 C ATOM 151 O THR A 10 2.503 -7.596 -6.981 1.00 0.00 O ATOM 152 CB THR A 10 0.009 -8.820 -6.687 1.00 0.00 C ATOM 153 OG1 THR A 10 -0.378 -9.168 -8.000 1.00 0.00 O ATOM 154 CG2 THR A 10 -1.039 -9.389 -5.726 1.00 0.00 C ATOM 0 H THR A 10 -1.212 -7.101 -8.079 1.00 0.00 H new ATOM 0 HA THR A 10 0.071 -7.044 -5.467 1.00 0.00 H new ATOM 0 HB THR A 10 0.989 -9.243 -6.465 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.462 -10.142 -8.069 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.118 -10.467 -5.870 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.741 -9.181 -4.698 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.005 -8.925 -5.925 1.00 0.00 H new ATOM 162 N ASP A 11 1.724 -5.498 -7.113 1.00 0.00 N ATOM 163 CA ASP A 11 2.857 -5.014 -7.888 1.00 0.00 C ATOM 164 C ASP A 11 3.693 -3.941 -7.176 1.00 0.00 C ATOM 165 O ASP A 11 4.213 -3.024 -7.805 1.00 0.00 O ATOM 166 CB ASP A 11 2.298 -4.542 -9.247 1.00 0.00 C ATOM 167 CG ASP A 11 3.323 -4.574 -10.376 1.00 0.00 C ATOM 168 OD1 ASP A 11 4.399 -5.197 -10.242 1.00 0.00 O ATOM 169 OD2 ASP A 11 2.984 -4.070 -11.468 1.00 0.00 O ATOM 0 H ASP A 11 1.103 -4.772 -6.756 1.00 0.00 H new ATOM 0 HA ASP A 11 3.574 -5.823 -8.027 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.451 -5.171 -9.520 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.919 -3.525 -9.141 1.00 0.00 H new ATOM 174 N HIS A 12 3.884 -4.092 -5.859 1.00 0.00 N ATOM 175 CA HIS A 12 4.703 -3.214 -5.005 1.00 0.00 C ATOM 176 C HIS A 12 4.992 -3.911 -3.662 1.00 0.00 C ATOM 177 O HIS A 12 4.403 -4.959 -3.400 1.00 0.00 O ATOM 178 CB HIS A 12 4.003 -1.847 -4.839 1.00 0.00 C ATOM 179 CG HIS A 12 3.033 -1.763 -3.685 1.00 0.00 C ATOM 180 ND1 HIS A 12 2.333 -2.810 -3.128 1.00 0.00 N ATOM 181 CD2 HIS A 12 2.667 -0.628 -3.015 1.00 0.00 C ATOM 182 CE1 HIS A 12 1.564 -2.317 -2.154 1.00 0.00 C ATOM 183 NE2 HIS A 12 1.716 -0.991 -2.059 1.00 0.00 N ATOM 0 H HIS A 12 3.457 -4.857 -5.337 1.00 0.00 H new ATOM 0 HA HIS A 12 5.668 -3.022 -5.474 1.00 0.00 H new ATOM 0 HB2 HIS A 12 4.765 -1.079 -4.710 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.469 -1.615 -5.760 1.00 0.00 H new ATOM 0 HD1 HIS A 12 2.392 -3.789 -3.410 1.00 0.00 H new ATOM 0 HD2 HIS A 12 3.045 0.368 -3.193 1.00 0.00 H new ATOM 0 HE1 HIS A 12 0.910 -2.907 -1.529 1.00 0.00 H new ATOM 191 N PRO A 13 5.877 -3.412 -2.784 1.00 0.00 N ATOM 192 CA PRO A 13 6.079 -4.035 -1.475 1.00 0.00 C ATOM 193 C PRO A 13 4.910 -3.773 -0.526 1.00 0.00 C ATOM 194 O PRO A 13 4.229 -2.794 -0.735 1.00 0.00 O ATOM 195 CB PRO A 13 7.352 -3.395 -0.962 1.00 0.00 C ATOM 196 CG PRO A 13 7.412 -2.017 -1.617 1.00 0.00 C ATOM 197 CD PRO A 13 6.725 -2.240 -2.958 1.00 0.00 C ATOM 0 HA PRO A 13 6.145 -5.121 -1.545 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.339 -3.312 0.125 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.225 -3.992 -1.225 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.896 -1.265 -1.020 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.439 -1.675 -1.743 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.134 -1.370 -3.243 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.457 -2.402 -3.749 1.00 0.00 H new ATOM 205 N VAL A 14 4.698 -4.623 0.496 1.00 0.00 N ATOM 206 CA VAL A 14 3.705 -4.578 1.565 1.00 0.00 C ATOM 207 C VAL A 14 3.677 -5.984 2.154 1.00 0.00 C ATOM 208 O VAL A 14 3.710 -6.147 3.353 1.00 0.00 O ATOM 209 CB VAL A 14 2.330 -4.052 1.103 1.00 0.00 C ATOM 210 CG1 VAL A 14 1.144 -4.668 1.859 1.00 0.00 C ATOM 211 CG2 VAL A 14 2.262 -2.525 1.285 1.00 0.00 C ATOM 0 H VAL A 14 5.290 -5.448 0.596 1.00 0.00 H new ATOM 0 HA VAL A 14 3.977 -3.852 2.331 1.00 0.00 H new ATOM 0 HB VAL A 14 2.244 -4.340 0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.213 -4.249 1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.142 -5.748 1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.235 -4.445 2.922 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.288 -2.162 0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.405 -2.277 2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.044 -2.053 0.691 1.00 0.00 H new ATOM 221 N GLU A 15 3.727 -7.038 1.342 1.00 0.00 N ATOM 222 CA GLU A 15 3.663 -8.414 1.851 1.00 0.00 C ATOM 223 C GLU A 15 4.411 -9.367 0.936 1.00 0.00 C ATOM 224 O GLU A 15 4.273 -10.566 1.069 1.00 0.00 O ATOM 225 CB GLU A 15 2.197 -8.864 2.084 1.00 0.00 C ATOM 226 CG GLU A 15 1.651 -8.290 3.394 1.00 0.00 C ATOM 227 CD GLU A 15 0.496 -9.075 4.018 1.00 0.00 C ATOM 228 OE1 GLU A 15 0.715 -10.235 4.417 1.00 0.00 O ATOM 229 OE2 GLU A 15 -0.583 -8.490 4.229 1.00 0.00 O ATOM 0 H GLU A 15 3.812 -6.970 0.328 1.00 0.00 H new ATOM 0 HA GLU A 15 4.159 -8.437 2.821 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.575 -8.536 1.251 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.146 -9.953 2.110 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.466 -8.238 4.116 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.319 -7.268 3.213 1.00 0.00 H new ATOM 236 N LYS A 16 5.283 -8.904 0.042 1.00 0.00 N ATOM 237 CA LYS A 16 6.065 -9.829 -0.769 1.00 0.00 C ATOM 238 C LYS A 16 7.213 -9.121 -1.432 1.00 0.00 C ATOM 239 O LYS A 16 8.348 -9.381 -1.068 1.00 0.00 O ATOM 240 CB LYS A 16 5.158 -10.501 -1.800 1.00 0.00 C ATOM 241 CG LYS A 16 5.666 -11.888 -2.154 1.00 0.00 C ATOM 242 CD LYS A 16 5.306 -12.952 -1.096 1.00 0.00 C ATOM 243 CE LYS A 16 5.500 -14.330 -1.735 1.00 0.00 C ATOM 244 NZ LYS A 16 4.419 -14.674 -2.686 1.00 0.00 N ATOM 0 H LYS A 16 5.462 -7.916 -0.136 1.00 0.00 H new ATOM 0 HA LYS A 16 6.488 -10.598 -0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.144 -10.571 -1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.108 -9.888 -2.700 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.250 -12.186 -3.117 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.749 -11.853 -2.272 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.940 -12.846 -0.216 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.276 -12.827 -0.763 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.458 -14.354 -2.255 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.544 -15.087 -0.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.408 -15.702 -2.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.504 -14.374 -2.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.585 -14.188 -3.590 1.00 0.00 H new ATOM 258 N LEU A 17 6.937 -8.128 -2.274 1.00 0.00 N ATOM 259 CA LEU A 17 7.991 -7.337 -2.903 1.00 0.00 C ATOM 260 C LEU A 17 8.870 -6.649 -1.853 1.00 0.00 C ATOM 261 O LEU A 17 10.050 -6.400 -2.086 1.00 0.00 O ATOM 262 CB LEU A 17 7.375 -6.343 -3.910 1.00 0.00 C ATOM 263 CG LEU A 17 7.846 -6.514 -5.362 1.00 0.00 C ATOM 264 CD1 LEU A 17 9.358 -6.309 -5.466 1.00 0.00 C ATOM 265 CD2 LEU A 17 7.422 -7.855 -5.961 1.00 0.00 C ATOM 0 H LEU A 17 5.991 -7.852 -2.537 1.00 0.00 H new ATOM 0 HA LEU A 17 8.651 -8.001 -3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.290 -6.446 -3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.608 -5.329 -3.585 1.00 0.00 H new ATOM 0 HG LEU A 17 7.352 -5.743 -5.954 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.672 -6.434 -6.502 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.613 -5.304 -5.129 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.868 -7.042 -4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.780 -7.924 -6.988 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.848 -8.667 -5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.335 -7.931 -5.950 1.00 0.00 H new ATOM 277 N LYS A 18 8.321 -6.407 -0.657 1.00 0.00 N ATOM 278 CA LYS A 18 9.071 -5.878 0.484 1.00 0.00 C ATOM 279 C LYS A 18 10.177 -6.842 0.900 1.00 0.00 C ATOM 280 O LYS A 18 11.264 -6.429 1.255 1.00 0.00 O ATOM 281 CB LYS A 18 8.129 -5.480 1.649 1.00 0.00 C ATOM 282 CG LYS A 18 7.995 -6.447 2.834 1.00 0.00 C ATOM 283 CD LYS A 18 7.158 -7.686 2.504 1.00 0.00 C ATOM 284 CE LYS A 18 7.234 -8.617 3.704 1.00 0.00 C ATOM 285 NZ LYS A 18 6.460 -9.862 3.574 1.00 0.00 N ATOM 0 H LYS A 18 7.336 -6.575 -0.454 1.00 0.00 H new ATOM 0 HA LYS A 18 9.565 -4.956 0.177 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.468 -4.520 2.039 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.134 -5.322 1.234 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.989 -6.761 3.153 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.541 -5.922 3.675 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.124 -7.408 2.299 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.539 -8.180 1.610 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.279 -8.873 3.881 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.884 -8.079 4.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.931 -10.621 4.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.502 -9.717 3.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.399 -10.129 2.571 1.00 0.00 H new ATOM 299 N ILE A 19 9.910 -8.137 0.847 1.00 0.00 N ATOM 300 CA ILE A 19 10.816 -9.170 1.298 1.00 0.00 C ATOM 301 C ILE A 19 12.029 -9.218 0.359 1.00 0.00 C ATOM 302 O ILE A 19 13.124 -9.591 0.759 1.00 0.00 O ATOM 303 CB ILE A 19 10.001 -10.485 1.373 1.00 0.00 C ATOM 304 CG1 ILE A 19 10.039 -11.058 2.796 1.00 0.00 C ATOM 305 CG2 ILE A 19 10.335 -11.548 0.315 1.00 0.00 C ATOM 306 CD1 ILE A 19 8.865 -12.012 3.004 1.00 0.00 C ATOM 0 H ILE A 19 9.033 -8.504 0.479 1.00 0.00 H new ATOM 0 HA ILE A 19 11.227 -8.982 2.290 1.00 0.00 H new ATOM 0 HB ILE A 19 8.980 -10.198 1.120 1.00 0.00 H new ATOM 0 HG12 ILE A 19 10.980 -11.584 2.961 1.00 0.00 H new ATOM 0 HG13 ILE A 19 9.995 -10.249 3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.703 -12.423 0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.157 -11.140 -0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.382 -11.837 0.407 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.898 -12.415 4.016 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.928 -11.474 2.859 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.929 -12.830 2.286 1.00 0.00 H new ATOM 318 N ARG A 20 11.825 -8.816 -0.902 1.00 0.00 N ATOM 319 CA ARG A 20 12.855 -8.765 -1.921 1.00 0.00 C ATOM 320 C ARG A 20 13.717 -7.497 -1.786 1.00 0.00 C ATOM 321 O ARG A 20 14.752 -7.434 -2.447 1.00 0.00 O ATOM 322 CB ARG A 20 12.192 -8.895 -3.310 1.00 0.00 C ATOM 323 CG ARG A 20 11.572 -10.287 -3.607 1.00 0.00 C ATOM 324 CD ARG A 20 10.055 -10.304 -3.866 1.00 0.00 C ATOM 325 NE ARG A 20 9.601 -11.316 -4.836 1.00 0.00 N ATOM 326 CZ ARG A 20 9.074 -12.516 -4.557 1.00 0.00 C ATOM 327 NH1 ARG A 20 9.306 -13.120 -3.394 1.00 0.00 N ATOM 328 NH2 ARG A 20 8.298 -13.121 -5.448 1.00 0.00 N ATOM 0 H ARG A 20 10.912 -8.512 -1.240 1.00 0.00 H new ATOM 0 HA ARG A 20 13.543 -9.601 -1.792 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.411 -8.139 -3.397 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.937 -8.674 -4.075 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.075 -10.709 -4.477 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.785 -10.946 -2.765 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.542 -10.474 -2.919 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.751 -9.319 -4.222 1.00 0.00 H new ATOM 0 HE ARG A 20 9.698 -11.078 -5.823 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.895 -12.669 -2.694 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.895 -14.034 -3.203 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.104 -12.672 -6.343 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.896 -14.034 -5.237 1.00 0.00 H new ATOM 342 N SER A 21 13.342 -6.512 -0.956 1.00 0.00 N ATOM 343 CA SER A 21 14.050 -5.266 -0.634 1.00 0.00 C ATOM 344 C SER A 21 13.082 -4.343 0.112 1.00 0.00 C ATOM 345 O SER A 21 12.250 -3.697 -0.533 1.00 0.00 O ATOM 346 CB SER A 21 14.564 -4.525 -1.877 1.00 0.00 C ATOM 347 OG SER A 21 15.803 -5.026 -2.326 1.00 0.00 O ATOM 0 H SER A 21 12.459 -6.573 -0.450 1.00 0.00 H new ATOM 0 HA SER A 21 14.918 -5.530 -0.031 1.00 0.00 H new ATOM 0 HB2 SER A 21 13.829 -4.610 -2.677 1.00 0.00 H new ATOM 0 HB3 SER A 21 14.665 -3.464 -1.648 1.00 0.00 H new ATOM 0 HG SER A 21 15.775 -6.006 -2.337 1.00 0.00 H new ATOM 353 N ALA A 22 13.171 -4.318 1.443 1.00 0.00 N ATOM 354 CA ALA A 22 12.536 -3.407 2.398 1.00 0.00 C ATOM 355 C ALA A 22 12.907 -3.843 3.810 1.00 0.00 C ATOM 356 O ALA A 22 13.338 -4.979 4.031 1.00 0.00 O ATOM 357 CB ALA A 22 11.003 -3.445 2.312 1.00 0.00 C ATOM 0 H ALA A 22 13.748 -5.005 1.928 1.00 0.00 H new ATOM 0 HA ALA A 22 12.882 -2.401 2.162 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.580 -2.752 3.040 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.688 -3.155 1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.652 -4.454 2.525 1.00 0.00 H new ATOM 363 N LYS A 23 12.659 -2.977 4.789 1.00 0.00 N ATOM 364 CA LYS A 23 12.969 -3.190 6.194 1.00 0.00 C ATOM 365 C LYS A 23 11.834 -2.578 6.992 1.00 0.00 C ATOM 366 O LYS A 23 10.847 -2.126 6.411 1.00 0.00 O ATOM 367 CB LYS A 23 14.338 -2.554 6.516 1.00 0.00 C ATOM 368 CG LYS A 23 15.325 -3.353 7.380 1.00 0.00 C ATOM 369 CD LYS A 23 16.333 -4.105 6.500 1.00 0.00 C ATOM 370 CE LYS A 23 15.649 -5.288 5.841 1.00 0.00 C ATOM 371 NZ LYS A 23 15.813 -6.554 6.588 1.00 0.00 N ATOM 0 H LYS A 23 12.219 -2.073 4.615 1.00 0.00 H new ATOM 0 HA LYS A 23 13.051 -4.247 6.448 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.831 -2.328 5.570 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.154 -1.602 7.015 1.00 0.00 H new ATOM 0 HG2 LYS A 23 15.855 -2.679 8.053 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.779 -4.062 8.003 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.738 -3.436 5.740 1.00 0.00 H new ATOM 0 HD3 LYS A 23 17.173 -4.448 7.104 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.586 -5.072 5.737 1.00 0.00 H new ATOM 0 HE3 LYS A 23 16.048 -5.414 4.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.323 -7.320 6.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.825 -6.783 6.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 15.407 -6.450 7.540 1.00 0.00 H new ATOM 385 N ALA A 24 11.976 -2.544 8.312 1.00 0.00 N ATOM 386 CA ALA A 24 10.957 -1.970 9.185 1.00 0.00 C ATOM 387 C ALA A 24 10.751 -0.473 8.955 1.00 0.00 C ATOM 388 O ALA A 24 9.840 0.128 9.517 1.00 0.00 O ATOM 389 CB ALA A 24 11.350 -2.200 10.645 1.00 0.00 C ATOM 0 H ALA A 24 12.791 -2.909 8.804 1.00 0.00 H new ATOM 0 HA ALA A 24 10.017 -2.469 8.949 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.590 -1.772 11.298 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.431 -3.270 10.836 1.00 0.00 H new ATOM 0 HB3 ALA A 24 12.309 -1.722 10.843 1.00 0.00 H new ATOM 395 N GLU A 25 11.620 0.147 8.168 1.00 0.00 N ATOM 396 CA GLU A 25 11.804 1.582 8.097 1.00 0.00 C ATOM 397 C GLU A 25 11.564 2.077 6.689 1.00 0.00 C ATOM 398 O GLU A 25 12.115 3.086 6.239 1.00 0.00 O ATOM 399 CB GLU A 25 13.196 1.991 8.589 1.00 0.00 C ATOM 400 CG GLU A 25 14.237 0.936 8.217 1.00 0.00 C ATOM 401 CD GLU A 25 15.595 1.128 8.859 1.00 0.00 C ATOM 402 OE1 GLU A 25 15.687 0.802 10.060 1.00 0.00 O ATOM 403 OE2 GLU A 25 16.557 1.459 8.136 1.00 0.00 O ATOM 0 H GLU A 25 12.240 -0.362 7.537 1.00 0.00 H new ATOM 0 HA GLU A 25 11.072 2.048 8.757 1.00 0.00 H new ATOM 0 HB2 GLU A 25 13.473 2.951 8.153 1.00 0.00 H new ATOM 0 HB3 GLU A 25 13.179 2.126 9.671 1.00 0.00 H new ATOM 0 HG2 GLU A 25 13.854 -0.046 8.496 1.00 0.00 H new ATOM 0 HG3 GLU A 25 14.360 0.934 7.134 1.00 0.00 H new ATOM 410 N ASP A 26 10.596 1.444 6.057 1.00 0.00 N ATOM 411 CA ASP A 26 10.154 1.831 4.741 1.00 0.00 C ATOM 412 C ASP A 26 8.747 2.433 4.899 1.00 0.00 C ATOM 413 O ASP A 26 8.152 2.343 5.985 1.00 0.00 O ATOM 414 CB ASP A 26 10.185 0.573 3.854 1.00 0.00 C ATOM 415 CG ASP A 26 11.184 0.646 2.696 1.00 0.00 C ATOM 416 OD1 ASP A 26 12.406 0.695 2.960 1.00 0.00 O ATOM 417 OD2 ASP A 26 10.759 0.603 1.521 1.00 0.00 O ATOM 0 H ASP A 26 10.095 0.645 6.446 1.00 0.00 H new ATOM 0 HA ASP A 26 10.788 2.580 4.267 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.428 -0.290 4.475 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.188 0.403 3.448 1.00 0.00 H new ATOM 422 N LYS A 27 8.184 3.059 3.859 1.00 0.00 N ATOM 423 CA LYS A 27 6.895 3.738 3.946 1.00 0.00 C ATOM 424 C LYS A 27 6.089 3.431 2.692 1.00 0.00 C ATOM 425 O LYS A 27 6.592 3.683 1.602 1.00 0.00 O ATOM 426 CB LYS A 27 7.088 5.256 4.138 1.00 0.00 C ATOM 427 CG LYS A 27 7.993 5.686 5.307 1.00 0.00 C ATOM 428 CD LYS A 27 9.439 5.971 4.873 1.00 0.00 C ATOM 429 CE LYS A 27 10.363 6.072 6.091 1.00 0.00 C ATOM 430 NZ LYS A 27 11.659 6.688 5.748 1.00 0.00 N ATOM 0 H LYS A 27 8.613 3.107 2.935 1.00 0.00 H new ATOM 0 HA LYS A 27 6.347 3.375 4.815 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.500 5.668 3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.107 5.710 4.279 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.576 6.579 5.772 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.995 4.903 6.065 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.788 5.178 4.211 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.476 6.900 4.305 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.876 6.660 6.869 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.531 5.077 6.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.255 6.738 6.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.136 6.113 5.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.501 7.647 5.379 1.00 0.00 H new ATOM 444 N ILE A 28 4.910 2.814 2.805 1.00 0.00 N ATOM 445 CA ILE A 28 4.157 2.360 1.645 1.00 0.00 C ATOM 446 C ILE A 28 2.673 2.684 1.820 1.00 0.00 C ATOM 447 O ILE A 28 2.144 2.728 2.935 1.00 0.00 O ATOM 448 CB ILE A 28 4.378 0.857 1.350 1.00 0.00 C ATOM 449 CG1 ILE A 28 5.838 0.359 1.419 1.00 0.00 C ATOM 450 CG2 ILE A 28 3.871 0.540 -0.069 1.00 0.00 C ATOM 451 CD1 ILE A 28 6.188 -0.089 2.830 1.00 0.00 C ATOM 0 H ILE A 28 4.458 2.619 3.698 1.00 0.00 H new ATOM 0 HA ILE A 28 4.532 2.900 0.775 1.00 0.00 H new ATOM 0 HB ILE A 28 3.831 0.346 2.142 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.978 -0.469 0.724 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.514 1.155 1.107 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.024 -0.518 -0.282 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.808 0.774 -0.136 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.421 1.140 -0.794 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.221 -0.436 2.856 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.069 0.748 3.518 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.525 -0.901 3.129 1.00 0.00 H new ATOM 463 N VAL A 29 2.006 2.811 0.676 1.00 0.00 N ATOM 464 CA VAL A 29 0.562 2.967 0.511 1.00 0.00 C ATOM 465 C VAL A 29 0.054 2.100 -0.646 1.00 0.00 C ATOM 466 O VAL A 29 0.810 1.871 -1.581 1.00 0.00 O ATOM 467 CB VAL A 29 0.216 4.462 0.313 1.00 0.00 C ATOM 468 CG1 VAL A 29 -1.240 4.733 -0.115 1.00 0.00 C ATOM 469 CG2 VAL A 29 0.493 5.226 1.611 1.00 0.00 C ATOM 0 H VAL A 29 2.492 2.808 -0.221 1.00 0.00 H new ATOM 0 HA VAL A 29 0.055 2.623 1.413 1.00 0.00 H new ATOM 0 HB VAL A 29 0.849 4.804 -0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.392 5.806 -0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.439 4.235 -1.064 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.920 4.350 0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.249 6.279 1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.120 4.815 2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.547 5.129 1.873 1.00 0.00 H new ATOM 479 N LEU A 30 -1.214 1.660 -0.615 1.00 0.00 N ATOM 480 CA LEU A 30 -1.895 0.888 -1.669 1.00 0.00 C ATOM 481 C LEU A 30 -3.013 1.729 -2.261 1.00 0.00 C ATOM 482 O LEU A 30 -3.724 2.397 -1.508 1.00 0.00 O ATOM 483 CB LEU A 30 -2.558 -0.407 -1.123 1.00 0.00 C ATOM 484 CG LEU A 30 -2.224 -0.897 0.298 1.00 0.00 C ATOM 485 CD1 LEU A 30 -3.195 -2.014 0.697 1.00 0.00 C ATOM 486 CD2 LEU A 30 -0.810 -1.454 0.379 1.00 0.00 C ATOM 0 H LEU A 30 -1.822 1.841 0.184 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.135 0.623 -2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.638 -0.265 -1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.310 -1.214 -1.812 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.311 -0.042 0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.958 -2.360 1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.216 -1.633 0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.103 -2.844 -0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.609 -1.790 1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.710 -2.295 -0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.096 -0.676 0.106 1.00 0.00 H new ATOM 498 N ILE A 31 -3.240 1.627 -3.575 1.00 0.00 N ATOM 499 CA ILE A 31 -4.322 2.334 -4.253 1.00 0.00 C ATOM 500 C ILE A 31 -5.049 1.370 -5.191 1.00 0.00 C ATOM 501 O ILE A 31 -4.614 0.237 -5.332 1.00 0.00 O ATOM 502 CB ILE A 31 -3.779 3.611 -4.937 1.00 0.00 C ATOM 503 CG1 ILE A 31 -3.296 3.338 -6.374 1.00 0.00 C ATOM 504 CG2 ILE A 31 -2.666 4.337 -4.149 1.00 0.00 C ATOM 505 CD1 ILE A 31 -3.172 4.615 -7.191 1.00 0.00 C ATOM 0 H ILE A 31 -2.674 1.049 -4.197 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.067 2.684 -3.539 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.638 4.281 -4.961 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.330 2.834 -6.341 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.992 2.660 -6.867 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.345 5.220 -4.702 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.048 4.639 -3.174 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.818 3.665 -4.014 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.829 4.372 -8.196 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.143 5.106 -7.248 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.455 5.284 -6.715 1.00 0.00 H new ATOM 517 N GLN A 32 -6.085 1.824 -5.901 1.00 0.00 N ATOM 518 CA GLN A 32 -6.844 1.074 -6.901 1.00 0.00 C ATOM 519 C GLN A 32 -6.988 -0.411 -6.525 1.00 0.00 C ATOM 520 O GLN A 32 -7.356 -0.763 -5.411 1.00 0.00 O ATOM 521 CB GLN A 32 -6.359 1.281 -8.343 1.00 0.00 C ATOM 522 CG GLN A 32 -6.348 2.733 -8.808 1.00 0.00 C ATOM 523 CD GLN A 32 -7.708 3.153 -9.348 1.00 0.00 C ATOM 524 OE1 GLN A 32 -7.955 2.988 -10.538 1.00 0.00 O ATOM 525 NE2 GLN A 32 -8.603 3.729 -8.565 1.00 0.00 N ATOM 0 H GLN A 32 -6.434 2.775 -5.786 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.846 1.503 -6.886 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.351 0.876 -8.435 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.996 0.704 -9.013 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.069 3.381 -7.977 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.591 2.863 -9.582 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.401 3.868 -7.575 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.496 4.035 -8.951 1.00 0.00 H new ATOM 534 N ASN A 33 -6.612 -1.304 -7.441 1.00 0.00 N ATOM 535 CA ASN A 33 -6.597 -2.747 -7.222 1.00 0.00 C ATOM 536 C ASN A 33 -5.495 -3.150 -6.258 1.00 0.00 C ATOM 537 O ASN A 33 -5.611 -4.194 -5.641 1.00 0.00 O ATOM 538 CB ASN A 33 -6.456 -3.512 -8.539 1.00 0.00 C ATOM 539 CG ASN A 33 -7.667 -3.217 -9.414 1.00 0.00 C ATOM 540 OD1 ASN A 33 -8.701 -3.863 -9.299 1.00 0.00 O ATOM 541 ND2 ASN A 33 -7.635 -2.162 -10.217 1.00 0.00 N ATOM 0 H ASN A 33 -6.303 -1.036 -8.376 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.555 -3.012 -6.775 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -5.540 -3.216 -9.051 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.382 -4.582 -8.347 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.470 -1.891 -10.736 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.775 -1.622 -10.315 1.00 0.00 H new ATOM 548 N GLY A 34 -4.443 -2.343 -6.104 1.00 0.00 N ATOM 549 CA GLY A 34 -3.410 -2.465 -5.080 1.00 0.00 C ATOM 550 C GLY A 34 -3.958 -2.700 -3.676 1.00 0.00 C ATOM 551 O GLY A 34 -3.287 -3.320 -2.858 1.00 0.00 O ATOM 0 H GLY A 34 -4.283 -1.548 -6.722 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.746 -3.289 -5.343 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.806 -1.558 -5.077 1.00 0.00 H new ATOM 555 N VAL A 35 -5.181 -2.266 -3.373 1.00 0.00 N ATOM 556 CA VAL A 35 -5.826 -2.600 -2.108 1.00 0.00 C ATOM 557 C VAL A 35 -5.926 -4.122 -1.862 1.00 0.00 C ATOM 558 O VAL A 35 -6.046 -4.539 -0.711 1.00 0.00 O ATOM 559 CB VAL A 35 -7.198 -1.925 -2.032 1.00 0.00 C ATOM 560 CG1 VAL A 35 -7.114 -0.387 -2.099 1.00 0.00 C ATOM 561 CG2 VAL A 35 -8.183 -2.483 -3.082 1.00 0.00 C ATOM 0 H VAL A 35 -5.745 -1.681 -3.990 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.195 -2.216 -1.307 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.596 -2.174 -1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.117 0.035 -2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.516 -0.019 -1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.649 -0.089 -3.039 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.142 -1.973 -2.988 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.781 -2.319 -4.082 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.323 -3.552 -2.918 1.00 0.00 H new ATOM 571 N PHE A 36 -5.792 -4.965 -2.897 1.00 0.00 N ATOM 572 CA PHE A 36 -5.680 -6.420 -2.806 1.00 0.00 C ATOM 573 C PHE A 36 -4.489 -6.865 -1.943 1.00 0.00 C ATOM 574 O PHE A 36 -4.374 -8.040 -1.603 1.00 0.00 O ATOM 575 CB PHE A 36 -5.502 -7.016 -4.214 1.00 0.00 C ATOM 576 CG PHE A 36 -6.655 -7.007 -5.206 1.00 0.00 C ATOM 577 CD1 PHE A 36 -7.875 -6.340 -4.970 1.00 0.00 C ATOM 578 CD2 PHE A 36 -6.468 -7.680 -6.428 1.00 0.00 C ATOM 579 CE1 PHE A 36 -8.880 -6.339 -5.953 1.00 0.00 C ATOM 580 CE2 PHE A 36 -7.476 -7.678 -7.406 1.00 0.00 C ATOM 581 CZ PHE A 36 -8.677 -6.991 -7.179 1.00 0.00 C ATOM 0 H PHE A 36 -5.758 -4.632 -3.860 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.597 -6.779 -2.338 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.670 -6.491 -4.683 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.194 -8.054 -4.088 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.037 -5.829 -4.032 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.541 -8.202 -6.615 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.815 -5.833 -5.763 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.326 -8.207 -8.335 1.00 0.00 H new ATOM 0 HZ PHE A 36 -9.441 -6.964 -7.942 1.00 0.00 H new ATOM 591 N TRP A 37 -3.563 -5.966 -1.606 1.00 0.00 N ATOM 592 CA TRP A 37 -2.479 -6.259 -0.682 1.00 0.00 C ATOM 593 C TRP A 37 -2.954 -6.303 0.768 1.00 0.00 C ATOM 594 O TRP A 37 -2.288 -6.955 1.579 1.00 0.00 O ATOM 595 CB TRP A 37 -1.368 -5.217 -0.824 1.00 0.00 C ATOM 596 CG TRP A 37 -0.441 -5.386 -1.979 1.00 0.00 C ATOM 597 CD1 TRP A 37 -0.412 -4.631 -3.095 1.00 0.00 C ATOM 598 CD2 TRP A 37 0.654 -6.333 -2.114 1.00 0.00 C ATOM 599 NE1 TRP A 37 0.582 -5.085 -3.931 1.00 0.00 N ATOM 600 CE2 TRP A 37 1.300 -6.112 -3.360 1.00 0.00 C ATOM 601 CE3 TRP A 37 1.161 -7.362 -1.304 1.00 0.00 C ATOM 602 CZ2 TRP A 37 2.401 -6.877 -3.765 1.00 0.00 C ATOM 603 CZ3 TRP A 37 2.271 -8.130 -1.695 1.00 0.00 C ATOM 604 CH2 TRP A 37 2.909 -7.868 -2.919 1.00 0.00 C ATOM 0 H TRP A 37 -3.548 -5.013 -1.970 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.097 -7.247 -0.939 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.831 -4.233 -0.899 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.777 -5.222 0.092 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.068 -3.798 -3.301 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.765 -4.707 -4.861 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.686 -7.568 -0.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.857 -6.702 -4.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.633 -8.921 -1.055 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.787 -8.429 -3.205 1.00 0.00 H new ATOM 615 N ALA A 38 -4.058 -5.652 1.144 1.00 0.00 N ATOM 616 CA ALA A 38 -4.577 -5.614 2.518 1.00 0.00 C ATOM 617 C ALA A 38 -5.355 -6.872 2.869 1.00 0.00 C ATOM 618 O ALA A 38 -6.386 -6.779 3.538 1.00 0.00 O ATOM 619 CB ALA A 38 -5.424 -4.350 2.702 1.00 0.00 C ATOM 0 H ALA A 38 -4.631 -5.123 0.487 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.735 -5.580 3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.812 -4.317 3.720 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.808 -3.469 2.519 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.256 -4.363 1.997 1.00 0.00 H new ATOM 625 N LEU A 39 -4.856 -8.024 2.430 1.00 0.00 N ATOM 626 CA LEU A 39 -5.549 -9.304 2.383 1.00 0.00 C ATOM 627 C LEU A 39 -4.630 -10.341 1.722 1.00 0.00 C ATOM 628 O LEU A 39 -5.024 -11.043 0.794 1.00 0.00 O ATOM 629 CB LEU A 39 -6.951 -9.139 1.749 1.00 0.00 C ATOM 630 CG LEU A 39 -7.045 -8.321 0.437 1.00 0.00 C ATOM 631 CD1 LEU A 39 -7.355 -9.205 -0.768 1.00 0.00 C ATOM 632 CD2 LEU A 39 -8.111 -7.223 0.545 1.00 0.00 C ATOM 0 H LEU A 39 -3.901 -8.091 2.077 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.757 -9.687 3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.353 -10.134 1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.602 -8.670 2.487 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.067 -7.864 0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.412 -8.590 -1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.566 -9.948 -0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.309 -9.710 -0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.155 -6.665 -0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.082 -7.677 0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.855 -6.546 1.360 1.00 0.00 H new ATOM 644 N GLU A 40 -3.389 -10.433 2.212 1.00 0.00 N ATOM 645 CA GLU A 40 -2.346 -11.357 1.766 1.00 0.00 C ATOM 646 C GLU A 40 -1.908 -12.269 2.919 1.00 0.00 C ATOM 647 O GLU A 40 -2.601 -12.371 3.931 1.00 0.00 O ATOM 648 CB GLU A 40 -1.182 -10.542 1.169 1.00 0.00 C ATOM 649 CG GLU A 40 -1.561 -9.966 -0.189 1.00 0.00 C ATOM 650 CD GLU A 40 -1.407 -11.016 -1.307 1.00 0.00 C ATOM 651 OE1 GLU A 40 -2.242 -11.942 -1.411 1.00 0.00 O ATOM 652 OE2 GLU A 40 -0.417 -10.964 -2.079 1.00 0.00 O ATOM 0 H GLU A 40 -3.070 -9.831 2.971 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.728 -12.016 0.986 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.913 -9.734 1.849 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.303 -11.178 1.066 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.591 -9.611 -0.161 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.932 -9.103 -0.409 1.00 0.00 H new ATOM 659 N GLU A 41 -0.796 -12.985 2.743 1.00 0.00 N ATOM 660 CA GLU A 41 -0.382 -14.107 3.572 1.00 0.00 C ATOM 661 C GLU A 41 1.104 -14.026 3.883 1.00 0.00 C ATOM 662 O GLU A 41 1.890 -14.893 3.491 1.00 0.00 O ATOM 663 CB GLU A 41 -0.772 -15.405 2.847 1.00 0.00 C ATOM 664 CG GLU A 41 -2.229 -15.800 3.112 1.00 0.00 C ATOM 665 CD GLU A 41 -2.262 -17.103 3.894 1.00 0.00 C ATOM 666 OE1 GLU A 41 -1.805 -17.129 5.058 1.00 0.00 O ATOM 667 OE2 GLU A 41 -2.624 -18.131 3.270 1.00 0.00 O ATOM 0 H GLU A 41 -0.138 -12.788 1.989 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.888 -14.084 4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.620 -15.280 1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.114 -16.212 3.170 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.735 -15.014 3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.764 -15.915 2.169 1.00 0.00 H new ATOM 674 N LEU A 42 1.491 -12.947 4.556 1.00 0.00 N ATOM 675 CA LEU A 42 2.860 -12.569 4.870 1.00 0.00 C ATOM 676 C LEU A 42 2.790 -11.600 6.059 1.00 0.00 C ATOM 677 O LEU A 42 2.044 -11.832 7.007 1.00 0.00 O ATOM 678 CB LEU A 42 3.512 -11.979 3.600 1.00 0.00 C ATOM 679 CG LEU A 42 4.804 -12.685 3.106 1.00 0.00 C ATOM 680 CD1 LEU A 42 5.877 -13.036 4.127 1.00 0.00 C ATOM 681 CD2 LEU A 42 4.535 -13.924 2.258 1.00 0.00 C ATOM 0 H LEU A 42 0.815 -12.274 4.917 1.00 0.00 H new ATOM 0 HA LEU A 42 3.490 -13.409 5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.778 -12.003 2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.744 -10.931 3.788 1.00 0.00 H new ATOM 0 HG LEU A 42 5.222 -11.874 2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.713 -13.523 3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.227 -12.126 4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.461 -13.711 4.875 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.482 -14.365 1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.971 -14.650 2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.960 -13.643 1.376 1.00 0.00 H new ATOM 693 N GLU A 43 3.593 -10.539 6.049 1.00 0.00 N ATOM 694 CA GLU A 43 3.714 -9.491 7.043 1.00 0.00 C ATOM 695 C GLU A 43 4.348 -8.294 6.317 1.00 0.00 C ATOM 696 O GLU A 43 4.814 -8.438 5.184 1.00 0.00 O ATOM 697 CB GLU A 43 4.569 -10.005 8.218 1.00 0.00 C ATOM 698 CG GLU A 43 5.952 -10.499 7.765 1.00 0.00 C ATOM 699 CD GLU A 43 6.839 -11.059 8.884 1.00 0.00 C ATOM 700 OE1 GLU A 43 6.369 -11.281 10.025 1.00 0.00 O ATOM 701 OE2 GLU A 43 8.004 -11.401 8.586 1.00 0.00 O ATOM 0 H GLU A 43 4.232 -10.383 5.270 1.00 0.00 H new ATOM 0 HA GLU A 43 2.758 -9.191 7.471 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.693 -9.207 8.950 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.042 -10.817 8.719 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.815 -11.272 7.009 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.477 -9.673 7.285 1.00 0.00 H new ATOM 708 N THR A 44 4.434 -7.151 6.979 1.00 0.00 N ATOM 709 CA THR A 44 5.362 -6.033 6.755 1.00 0.00 C ATOM 710 C THR A 44 5.788 -5.516 8.116 1.00 0.00 C ATOM 711 O THR A 44 4.947 -5.376 9.009 1.00 0.00 O ATOM 712 CB THR A 44 4.773 -4.892 5.916 1.00 0.00 C ATOM 713 OG1 THR A 44 5.576 -3.740 5.902 1.00 0.00 O ATOM 714 CG2 THR A 44 3.350 -4.469 6.280 1.00 0.00 C ATOM 0 H THR A 44 3.804 -6.956 7.757 1.00 0.00 H new ATOM 0 HA THR A 44 6.207 -6.406 6.177 1.00 0.00 H new ATOM 0 HB THR A 44 4.741 -5.344 4.925 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.180 -3.058 6.484 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.033 -3.657 5.626 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.676 -5.317 6.158 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.325 -4.131 7.316 1.00 0.00 H new ATOM 722 N PRO A 45 7.070 -5.175 8.272 1.00 0.00 N ATOM 723 CA PRO A 45 7.507 -4.367 9.380 1.00 0.00 C ATOM 724 C PRO A 45 7.415 -2.858 9.041 1.00 0.00 C ATOM 725 O PRO A 45 7.393 -2.024 9.943 1.00 0.00 O ATOM 726 CB PRO A 45 8.928 -4.873 9.579 1.00 0.00 C ATOM 727 CG PRO A 45 9.435 -5.023 8.146 1.00 0.00 C ATOM 728 CD PRO A 45 8.200 -5.479 7.399 1.00 0.00 C ATOM 0 HA PRO A 45 6.905 -4.451 10.285 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.532 -4.169 10.151 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.949 -5.821 10.117 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.821 -4.082 7.753 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.242 -5.753 8.077 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.107 -4.961 6.445 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.248 -6.546 7.179 1.00 0.00 H new ATOM 736 N ALA A 46 7.311 -2.499 7.752 1.00 0.00 N ATOM 737 CA ALA A 46 7.176 -1.133 7.259 1.00 0.00 C ATOM 738 C ALA A 46 5.730 -0.676 7.441 1.00 0.00 C ATOM 739 O ALA A 46 4.835 -1.515 7.607 1.00 0.00 O ATOM 740 CB ALA A 46 7.536 -1.071 5.769 1.00 0.00 C ATOM 0 H ALA A 46 7.320 -3.187 6.999 1.00 0.00 H new ATOM 0 HA ALA A 46 7.850 -0.484 7.818 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.432 -0.047 5.412 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.565 -1.401 5.629 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.867 -1.722 5.206 1.00 0.00 H new ATOM 746 N LYS A 47 5.497 0.639 7.364 1.00 0.00 N ATOM 747 CA LYS A 47 4.186 1.221 7.527 1.00 0.00 C ATOM 748 C LYS A 47 3.446 1.048 6.219 1.00 0.00 C ATOM 749 O LYS A 47 4.030 1.218 5.145 1.00 0.00 O ATOM 750 CB LYS A 47 4.300 2.653 8.032 1.00 0.00 C ATOM 751 CG LYS A 47 4.608 3.685 6.949 1.00 0.00 C ATOM 752 CD LYS A 47 4.659 5.107 7.489 1.00 0.00 C ATOM 753 CE LYS A 47 3.900 6.199 6.750 1.00 0.00 C ATOM 754 NZ LYS A 47 4.167 7.525 7.369 1.00 0.00 N ATOM 0 H LYS A 47 6.230 1.325 7.184 1.00 0.00 H new ATOM 0 HA LYS A 47 3.599 0.718 8.295 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.366 2.927 8.522 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.082 2.696 8.790 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.564 3.443 6.484 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.849 3.624 6.169 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.290 5.084 8.514 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.706 5.406 7.534 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.199 6.213 5.702 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.831 5.988 6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.137 8.263 6.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.444 7.723 8.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.107 7.517 7.814 1.00 0.00 H new ATOM 768 N VAL A 48 2.184 0.669 6.318 1.00 0.00 N ATOM 769 CA VAL A 48 1.382 0.216 5.214 1.00 0.00 C ATOM 770 C VAL A 48 -0.002 0.752 5.506 1.00 0.00 C ATOM 771 O VAL A 48 -0.528 0.557 6.596 1.00 0.00 O ATOM 772 CB VAL A 48 1.469 -1.320 5.149 1.00 0.00 C ATOM 773 CG1 VAL A 48 0.283 -1.916 4.389 1.00 0.00 C ATOM 774 CG2 VAL A 48 2.805 -1.702 4.493 1.00 0.00 C ATOM 0 H VAL A 48 1.679 0.671 7.204 1.00 0.00 H new ATOM 0 HA VAL A 48 1.703 0.566 4.233 1.00 0.00 H new ATOM 0 HB VAL A 48 1.426 -1.731 6.158 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.376 -3.002 4.362 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.645 -1.644 4.892 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.271 -1.528 3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.886 -2.788 4.438 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.850 -1.283 3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.629 -1.307 5.088 1.00 0.00 H new ATOM 784 N TYR A 49 -0.555 1.476 4.545 1.00 0.00 N ATOM 785 CA TYR A 49 -1.760 2.253 4.716 1.00 0.00 C ATOM 786 C TYR A 49 -2.482 2.240 3.357 1.00 0.00 C ATOM 787 O TYR A 49 -1.859 2.558 2.354 1.00 0.00 O ATOM 788 CB TYR A 49 -1.323 3.669 5.118 1.00 0.00 C ATOM 789 CG TYR A 49 -0.651 3.915 6.478 1.00 0.00 C ATOM 790 CD1 TYR A 49 -1.476 4.165 7.593 1.00 0.00 C ATOM 791 CD2 TYR A 49 0.754 4.059 6.633 1.00 0.00 C ATOM 792 CE1 TYR A 49 -0.955 4.629 8.812 1.00 0.00 C ATOM 793 CE2 TYR A 49 1.274 4.518 7.857 1.00 0.00 C ATOM 794 CZ TYR A 49 0.430 4.841 8.932 1.00 0.00 C ATOM 795 OH TYR A 49 0.962 5.394 10.052 1.00 0.00 O ATOM 0 H TYR A 49 -0.165 1.537 3.605 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.432 1.864 5.481 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.637 4.026 4.350 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.208 4.304 5.075 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.539 3.995 7.508 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.418 3.818 5.817 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.611 4.821 9.648 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.343 4.624 7.972 1.00 0.00 H new ATOM 0 HH TYR A 49 1.935 5.461 9.953 1.00 0.00 H new ATOM 805 N ALA A 50 -3.742 1.820 3.240 1.00 0.00 N ATOM 806 CA ALA A 50 -4.428 1.792 1.937 1.00 0.00 C ATOM 807 C ALA A 50 -5.216 3.086 1.719 1.00 0.00 C ATOM 808 O ALA A 50 -5.582 3.750 2.691 1.00 0.00 O ATOM 809 CB ALA A 50 -5.398 0.619 1.880 1.00 0.00 C ATOM 0 H ALA A 50 -4.310 1.495 4.023 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.671 1.688 1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.899 0.608 0.912 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.850 -0.313 2.015 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.140 0.722 2.672 1.00 0.00 H new ATOM 815 N ILE A 51 -5.582 3.390 0.472 1.00 0.00 N ATOM 816 CA ILE A 51 -6.520 4.463 0.162 1.00 0.00 C ATOM 817 C ILE A 51 -7.924 3.947 0.421 1.00 0.00 C ATOM 818 O ILE A 51 -8.445 3.110 -0.316 1.00 0.00 O ATOM 819 CB ILE A 51 -6.305 5.025 -1.270 1.00 0.00 C ATOM 820 CG1 ILE A 51 -4.923 5.681 -1.428 1.00 0.00 C ATOM 821 CG2 ILE A 51 -7.397 6.046 -1.643 1.00 0.00 C ATOM 822 CD1 ILE A 51 -4.547 6.715 -0.366 1.00 0.00 C ATOM 0 H ILE A 51 -5.234 2.897 -0.350 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.348 5.322 0.810 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.365 4.172 -1.946 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.167 4.895 -1.425 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.880 6.161 -2.406 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.217 6.420 -2.651 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.374 5.564 -1.604 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.374 6.877 -0.938 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.554 7.110 -0.578 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.272 7.529 -0.378 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.548 6.244 0.617 1.00 0.00 H new ATOM 834 N LYS A 52 -8.527 4.496 1.476 1.00 0.00 N ATOM 835 CA LYS A 52 -9.886 4.236 1.894 1.00 0.00 C ATOM 836 C LYS A 52 -10.852 4.518 0.764 1.00 0.00 C ATOM 837 O LYS A 52 -11.602 3.630 0.385 1.00 0.00 O ATOM 838 CB LYS A 52 -10.208 5.050 3.162 1.00 0.00 C ATOM 839 CG LYS A 52 -11.515 4.563 3.801 1.00 0.00 C ATOM 840 CD LYS A 52 -11.745 5.097 5.224 1.00 0.00 C ATOM 841 CE LYS A 52 -12.558 6.399 5.216 1.00 0.00 C ATOM 842 NZ LYS A 52 -13.029 6.743 6.574 1.00 0.00 N ATOM 0 H LYS A 52 -8.051 5.163 2.083 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.995 3.181 2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.391 4.957 3.877 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.292 6.107 2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -12.351 4.864 3.170 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.512 3.473 3.828 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.268 4.345 5.815 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.784 5.271 5.707 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.945 7.211 4.824 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.413 6.293 4.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.575 7.627 6.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.632 5.977 6.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.211 6.867 7.204 1.00 0.00 H new ATOM 856 N ASP A 53 -10.839 5.739 0.236 1.00 0.00 N ATOM 857 CA ASP A 53 -11.794 6.181 -0.771 1.00 0.00 C ATOM 858 C ASP A 53 -11.771 5.232 -1.960 1.00 0.00 C ATOM 859 O ASP A 53 -12.848 4.862 -2.426 1.00 0.00 O ATOM 860 CB ASP A 53 -11.499 7.621 -1.222 1.00 0.00 C ATOM 861 CG ASP A 53 -11.674 8.644 -0.101 1.00 0.00 C ATOM 862 OD1 ASP A 53 -10.954 8.531 0.918 1.00 0.00 O ATOM 863 OD2 ASP A 53 -12.524 9.553 -0.235 1.00 0.00 O ATOM 0 H ASP A 53 -10.160 6.453 0.498 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.790 6.170 -0.328 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.478 7.676 -1.600 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.160 7.880 -2.049 1.00 0.00 H new ATOM 868 N ASP A 54 -10.595 4.779 -2.417 1.00 0.00 N ATOM 869 CA ASP A 54 -10.535 3.730 -3.396 1.00 0.00 C ATOM 870 C ASP A 54 -11.050 2.390 -2.921 1.00 0.00 C ATOM 871 O ASP A 54 -11.847 1.821 -3.637 1.00 0.00 O ATOM 872 CB ASP A 54 -9.143 3.513 -3.954 1.00 0.00 C ATOM 873 CG ASP A 54 -9.442 2.933 -5.321 1.00 0.00 C ATOM 874 OD1 ASP A 54 -9.744 3.764 -6.206 1.00 0.00 O ATOM 875 OD2 ASP A 54 -9.491 1.705 -5.504 1.00 0.00 O ATOM 0 H ASP A 54 -9.687 5.132 -2.115 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.201 4.101 -4.175 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.579 4.444 -4.019 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.558 2.829 -3.339 1.00 0.00 H new ATOM 880 N PHE A 55 -10.655 1.867 -1.759 1.00 0.00 N ATOM 881 CA PHE A 55 -11.094 0.546 -1.294 1.00 0.00 C ATOM 882 C PHE A 55 -12.622 0.426 -1.313 1.00 0.00 C ATOM 883 O PHE A 55 -13.194 -0.570 -1.753 1.00 0.00 O ATOM 884 CB PHE A 55 -10.540 0.321 0.121 1.00 0.00 C ATOM 885 CG PHE A 55 -10.557 -1.110 0.626 1.00 0.00 C ATOM 886 CD1 PHE A 55 -9.988 -2.127 -0.152 1.00 0.00 C ATOM 887 CD2 PHE A 55 -11.043 -1.431 1.902 1.00 0.00 C ATOM 888 CE1 PHE A 55 -9.783 -3.419 0.355 1.00 0.00 C ATOM 889 CE2 PHE A 55 -10.900 -2.742 2.388 1.00 0.00 C ATOM 890 CZ PHE A 55 -10.238 -3.730 1.642 1.00 0.00 C ATOM 0 H PHE A 55 -10.024 2.343 -1.114 1.00 0.00 H new ATOM 0 HA PHE A 55 -10.711 -0.221 -1.967 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.512 0.682 0.148 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -11.112 0.936 0.815 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.699 -1.910 -1.170 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -11.524 -0.676 2.507 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.280 -4.166 -0.241 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -11.308 -2.995 3.356 1.00 0.00 H new ATOM 0 HZ PHE A 55 -10.082 -4.716 2.055 1.00 0.00 H new ATOM 900 N LEU A 56 -13.278 1.506 -0.905 1.00 0.00 N ATOM 901 CA LEU A 56 -14.715 1.715 -0.919 1.00 0.00 C ATOM 902 C LEU A 56 -15.243 1.811 -2.346 1.00 0.00 C ATOM 903 O LEU A 56 -16.331 1.316 -2.656 1.00 0.00 O ATOM 904 CB LEU A 56 -14.964 3.032 -0.176 1.00 0.00 C ATOM 905 CG LEU A 56 -14.574 2.976 1.311 1.00 0.00 C ATOM 906 CD1 LEU A 56 -14.799 4.374 1.901 1.00 0.00 C ATOM 907 CD2 LEU A 56 -15.396 1.955 2.104 1.00 0.00 C ATOM 0 H LEU A 56 -12.781 2.314 -0.530 1.00 0.00 H new ATOM 0 HA LEU A 56 -15.231 0.880 -0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.400 3.828 -0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -16.019 3.293 -0.258 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.532 2.663 1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -14.532 4.370 2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -14.178 5.097 1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -15.848 4.650 1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -15.076 1.961 3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.453 2.216 2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.245 0.961 1.683 1.00 0.00 H new ATOM 919 N ALA A 57 -14.489 2.441 -3.245 1.00 0.00 N ATOM 920 CA ALA A 57 -14.764 2.400 -4.670 1.00 0.00 C ATOM 921 C ALA A 57 -14.475 1.010 -5.264 1.00 0.00 C ATOM 922 O ALA A 57 -15.003 0.695 -6.331 1.00 0.00 O ATOM 923 CB ALA A 57 -13.972 3.481 -5.414 1.00 0.00 C ATOM 0 H ALA A 57 -13.668 2.995 -2.999 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.827 2.602 -4.801 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -14.196 3.428 -6.479 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.251 4.463 -5.033 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.905 3.321 -5.260 1.00 0.00 H new ATOM 929 N ARG A 58 -13.698 0.148 -4.593 1.00 0.00 N ATOM 930 CA ARG A 58 -13.296 -1.159 -5.125 1.00 0.00 C ATOM 931 C ARG A 58 -14.110 -2.253 -4.436 1.00 0.00 C ATOM 932 O ARG A 58 -13.681 -3.405 -4.433 1.00 0.00 O ATOM 933 CB ARG A 58 -11.777 -1.334 -4.818 1.00 0.00 C ATOM 934 CG ARG A 58 -10.870 -1.648 -6.015 1.00 0.00 C ATOM 935 CD ARG A 58 -10.729 -3.142 -6.307 1.00 0.00 C ATOM 936 NE ARG A 58 -12.007 -3.716 -6.750 1.00 0.00 N ATOM 937 CZ ARG A 58 -12.343 -4.039 -8.003 1.00 0.00 C ATOM 938 NH1 ARG A 58 -11.437 -4.102 -8.973 1.00 0.00 N ATOM 939 NH2 ARG A 58 -13.607 -4.302 -8.299 1.00 0.00 N ATOM 0 H ARG A 58 -13.330 0.340 -3.661 1.00 0.00 H new ATOM 0 HA ARG A 58 -13.474 -1.225 -6.198 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -11.416 -0.420 -4.347 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.666 -2.135 -4.087 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -11.267 -1.150 -6.900 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -9.881 -1.229 -5.830 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.972 -3.296 -7.076 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.385 -3.660 -5.412 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.708 -3.885 -6.029 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.458 -3.901 -8.770 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.721 -4.351 -9.921 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.321 -4.258 -7.572 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.866 -4.549 -9.254 1.00 0.00 H new ATOM 953 N GLY A 59 -15.372 -1.961 -4.120 1.00 0.00 N ATOM 954 CA GLY A 59 -16.303 -2.848 -3.444 1.00 0.00 C ATOM 955 C GLY A 59 -15.705 -3.678 -2.306 1.00 0.00 C ATOM 956 O GLY A 59 -15.864 -4.901 -2.329 1.00 0.00 O ATOM 0 H GLY A 59 -15.787 -1.056 -4.341 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -17.123 -2.251 -3.045 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -16.732 -3.527 -4.181 1.00 0.00 H new ATOM 960 N TYR A 60 -15.088 -3.036 -1.309 1.00 0.00 N ATOM 961 CA TYR A 60 -14.731 -3.629 -0.037 1.00 0.00 C ATOM 962 C TYR A 60 -15.378 -2.796 1.073 1.00 0.00 C ATOM 963 O TYR A 60 -15.724 -1.626 0.887 1.00 0.00 O ATOM 964 CB TYR A 60 -13.219 -3.620 0.129 1.00 0.00 C ATOM 965 CG TYR A 60 -12.442 -4.640 -0.684 1.00 0.00 C ATOM 966 CD1 TYR A 60 -12.039 -4.329 -1.991 1.00 0.00 C ATOM 967 CD2 TYR A 60 -12.034 -5.855 -0.103 1.00 0.00 C ATOM 968 CE1 TYR A 60 -11.282 -5.245 -2.743 1.00 0.00 C ATOM 969 CE2 TYR A 60 -11.270 -6.776 -0.844 1.00 0.00 C ATOM 970 CZ TYR A 60 -10.895 -6.476 -2.173 1.00 0.00 C ATOM 971 OH TYR A 60 -10.156 -7.351 -2.908 1.00 0.00 O ATOM 0 H TYR A 60 -14.818 -2.055 -1.378 1.00 0.00 H new ATOM 0 HA TYR A 60 -15.080 -4.660 0.011 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -12.853 -2.627 -0.131 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -12.991 -3.778 1.183 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.312 -3.378 -2.424 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -12.308 -6.082 0.917 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -10.997 -5.006 -3.757 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -10.970 -7.712 -0.397 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.575 -6.854 -3.521 1.00 0.00 H new ATOM 981 N SER A 61 -15.537 -3.418 2.232 1.00 0.00 N ATOM 982 CA SER A 61 -15.905 -2.832 3.510 1.00 0.00 C ATOM 983 C SER A 61 -14.648 -2.271 4.172 1.00 0.00 C ATOM 984 O SER A 61 -13.539 -2.557 3.740 1.00 0.00 O ATOM 985 CB SER A 61 -16.464 -3.976 4.359 1.00 0.00 C ATOM 986 OG SER A 61 -17.602 -3.648 5.122 1.00 0.00 O ATOM 0 H SER A 61 -15.401 -4.426 2.308 1.00 0.00 H new ATOM 0 HA SER A 61 -16.634 -2.029 3.398 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.713 -4.809 3.701 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.681 -4.325 5.033 1.00 0.00 H new ATOM 0 HG SER A 61 -17.893 -4.434 5.630 1.00 0.00 H new ATOM 992 N GLU A 62 -14.787 -1.540 5.274 1.00 0.00 N ATOM 993 CA GLU A 62 -13.661 -0.962 5.982 1.00 0.00 C ATOM 994 C GLU A 62 -12.855 -2.077 6.660 1.00 0.00 C ATOM 995 O GLU A 62 -11.648 -2.217 6.452 1.00 0.00 O ATOM 996 CB GLU A 62 -14.163 0.087 6.989 1.00 0.00 C ATOM 997 CG GLU A 62 -15.078 1.126 6.319 1.00 0.00 C ATOM 998 CD GLU A 62 -15.512 2.239 7.278 1.00 0.00 C ATOM 999 OE1 GLU A 62 -14.673 3.129 7.565 1.00 0.00 O ATOM 1000 OE2 GLU A 62 -16.707 2.298 7.634 1.00 0.00 O ATOM 0 H GLU A 62 -15.691 -1.334 5.699 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.998 -0.452 5.283 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.705 -0.411 7.793 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.311 0.592 7.444 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.558 1.567 5.469 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.963 0.625 5.926 1.00 0.00 H new ATOM 1007 N GLU A 63 -13.528 -2.919 7.449 1.00 0.00 N ATOM 1008 CA GLU A 63 -12.884 -3.979 8.226 1.00 0.00 C ATOM 1009 C GLU A 63 -12.373 -5.131 7.344 1.00 0.00 C ATOM 1010 O GLU A 63 -11.664 -6.024 7.814 1.00 0.00 O ATOM 1011 CB GLU A 63 -13.860 -4.472 9.307 1.00 0.00 C ATOM 1012 CG GLU A 63 -13.182 -5.168 10.499 1.00 0.00 C ATOM 1013 CD GLU A 63 -12.197 -4.269 11.255 1.00 0.00 C ATOM 1014 OE1 GLU A 63 -11.002 -4.193 10.877 1.00 0.00 O ATOM 1015 OE2 GLU A 63 -12.589 -3.642 12.260 1.00 0.00 O ATOM 0 H GLU A 63 -14.541 -2.883 7.567 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.996 -3.566 8.706 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.435 -3.623 9.676 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.569 -5.164 8.852 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.949 -5.515 11.191 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.653 -6.051 10.141 1.00 0.00 H new ATOM 1022 N ASP A 64 -12.688 -5.110 6.047 1.00 0.00 N ATOM 1023 CA ASP A 64 -12.182 -6.088 5.087 1.00 0.00 C ATOM 1024 C ASP A 64 -10.674 -5.908 4.878 1.00 0.00 C ATOM 1025 O ASP A 64 -9.989 -6.859 4.501 1.00 0.00 O ATOM 1026 CB ASP A 64 -12.868 -5.926 3.728 1.00 0.00 C ATOM 1027 CG ASP A 64 -14.339 -6.322 3.653 1.00 0.00 C ATOM 1028 OD1 ASP A 64 -14.948 -6.791 4.644 1.00 0.00 O ATOM 1029 OD2 ASP A 64 -14.936 -6.126 2.573 1.00 0.00 O ATOM 0 H ASP A 64 -13.304 -4.410 5.633 1.00 0.00 H new ATOM 0 HA ASP A 64 -12.392 -7.077 5.494 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.780 -4.883 3.425 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.318 -6.518 2.996 1.00 0.00 H new ATOM 1034 N SER A 65 -10.153 -4.696 5.102 1.00 0.00 N ATOM 1035 CA SER A 65 -8.747 -4.366 4.936 1.00 0.00 C ATOM 1036 C SER A 65 -8.001 -4.759 6.198 1.00 0.00 C ATOM 1037 O SER A 65 -8.287 -4.184 7.253 1.00 0.00 O ATOM 1038 CB SER A 65 -8.604 -2.845 4.733 1.00 0.00 C ATOM 1039 OG SER A 65 -7.272 -2.395 4.662 1.00 0.00 O ATOM 0 H SER A 65 -10.717 -3.904 5.411 1.00 0.00 H new ATOM 0 HA SER A 65 -8.342 -4.896 4.074 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.121 -2.562 3.816 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.106 -2.332 5.553 1.00 0.00 H new ATOM 0 HG SER A 65 -7.043 -1.920 5.488 1.00 0.00 H new ATOM 1045 N LYS A 66 -6.996 -5.635 6.105 1.00 0.00 N ATOM 1046 CA LYS A 66 -6.098 -5.867 7.239 1.00 0.00 C ATOM 1047 C LYS A 66 -4.979 -4.835 7.304 1.00 0.00 C ATOM 1048 O LYS A 66 -3.879 -5.170 7.742 1.00 0.00 O ATOM 1049 CB LYS A 66 -5.566 -7.311 7.166 1.00 0.00 C ATOM 1050 CG LYS A 66 -4.647 -7.656 5.979 1.00 0.00 C ATOM 1051 CD LYS A 66 -3.389 -8.468 6.331 1.00 0.00 C ATOM 1052 CE LYS A 66 -3.173 -9.617 5.336 1.00 0.00 C ATOM 1053 NZ LYS A 66 -3.974 -10.809 5.702 1.00 0.00 N ATOM 0 H LYS A 66 -6.786 -6.186 5.272 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.655 -5.746 8.168 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.022 -7.519 8.088 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.421 -7.987 7.141 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.226 -8.216 5.244 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.337 -6.727 5.500 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.518 -7.813 6.329 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.483 -8.870 7.340 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.446 -9.288 4.333 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.116 -9.882 5.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.729 -11.599 5.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.770 -11.076 6.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.986 -10.590 5.606 1.00 0.00 H new ATOM 1067 N VAL A 67 -5.256 -3.572 6.974 1.00 0.00 N ATOM 1068 CA VAL A 67 -4.333 -2.446 7.092 1.00 0.00 C ATOM 1069 C VAL A 67 -5.156 -1.180 7.326 1.00 0.00 C ATOM 1070 O VAL A 67 -6.327 -1.134 6.924 1.00 0.00 O ATOM 1071 CB VAL A 67 -3.401 -2.295 5.856 1.00 0.00 C ATOM 1072 CG1 VAL A 67 -2.773 -3.618 5.425 1.00 0.00 C ATOM 1073 CG2 VAL A 67 -4.004 -1.563 4.648 1.00 0.00 C ATOM 0 H VAL A 67 -6.165 -3.297 6.603 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.666 -2.627 7.935 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.616 -1.636 6.227 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.133 -3.452 4.559 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.178 -4.022 6.244 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.559 -4.326 5.165 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.267 -1.516 3.846 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.886 -2.101 4.300 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.288 -0.552 4.940 1.00 0.00 H new ATOM 1083 N PRO A 68 -4.544 -0.129 7.894 1.00 0.00 N ATOM 1084 CA PRO A 68 -5.201 1.133 8.154 1.00 0.00 C ATOM 1085 C PRO A 68 -5.589 1.817 6.848 1.00 0.00 C ATOM 1086 O PRO A 68 -4.767 2.035 5.953 1.00 0.00 O ATOM 1087 CB PRO A 68 -4.251 1.941 9.038 1.00 0.00 C ATOM 1088 CG PRO A 68 -2.881 1.337 8.754 1.00 0.00 C ATOM 1089 CD PRO A 68 -3.190 -0.107 8.410 1.00 0.00 C ATOM 0 HA PRO A 68 -6.147 1.012 8.682 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.279 3.002 8.789 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.515 1.854 10.092 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -2.381 1.847 7.930 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.223 1.411 9.620 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.487 -0.488 7.669 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.101 -0.743 9.291 1.00 0.00 H new ATOM 1097 N LEU A 69 -6.874 2.126 6.747 1.00 0.00 N ATOM 1098 CA LEU A 69 -7.517 2.791 5.637 1.00 0.00 C ATOM 1099 C LEU A 69 -7.448 4.286 5.874 1.00 0.00 C ATOM 1100 O LEU A 69 -8.130 4.813 6.753 1.00 0.00 O ATOM 1101 CB LEU A 69 -8.977 2.315 5.557 1.00 0.00 C ATOM 1102 CG LEU A 69 -9.210 0.848 5.183 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -10.714 0.578 5.088 1.00 0.00 C ATOM 1104 CD2 LEU A 69 -8.543 0.523 3.850 1.00 0.00 C ATOM 0 H LEU A 69 -7.534 1.901 7.492 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.021 2.557 4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.446 2.497 6.524 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.497 2.937 4.828 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.772 0.214 5.954 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.880 -0.466 4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.183 0.786 6.050 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.152 1.221 4.324 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.719 -0.523 3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.962 1.158 3.069 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.471 0.702 3.927 1.00 0.00 H new ATOM 1116 N ILE A 70 -6.606 4.953 5.097 1.00 0.00 N ATOM 1117 CA ILE A 70 -6.316 6.375 5.212 1.00 0.00 C ATOM 1118 C ILE A 70 -6.874 7.127 4.003 1.00 0.00 C ATOM 1119 O ILE A 70 -7.317 6.512 3.031 1.00 0.00 O ATOM 1120 CB ILE A 70 -4.800 6.585 5.404 1.00 0.00 C ATOM 1121 CG1 ILE A 70 -3.985 6.457 4.094 1.00 0.00 C ATOM 1122 CG2 ILE A 70 -4.281 5.683 6.543 1.00 0.00 C ATOM 1123 CD1 ILE A 70 -2.525 6.894 4.218 1.00 0.00 C ATOM 0 H ILE A 70 -6.088 4.503 4.343 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.810 6.787 6.092 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.645 7.621 5.704 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.015 5.420 3.761 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.467 7.054 3.320 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.210 5.838 6.671 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.797 5.934 7.470 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.469 4.639 6.294 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.026 6.773 3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.483 7.941 4.519 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.024 6.281 4.967 1.00 0.00 H new ATOM 1135 N THR A 71 -6.843 8.455 4.041 1.00 0.00 N ATOM 1136 CA THR A 71 -7.303 9.260 2.924 1.00 0.00 C ATOM 1137 C THR A 71 -6.211 9.438 1.868 1.00 0.00 C ATOM 1138 O THR A 71 -5.016 9.250 2.126 1.00 0.00 O ATOM 1139 CB THR A 71 -7.798 10.611 3.450 1.00 0.00 C ATOM 1140 OG1 THR A 71 -6.760 11.368 4.037 1.00 0.00 O ATOM 1141 CG2 THR A 71 -8.914 10.422 4.482 1.00 0.00 C ATOM 0 H THR A 71 -6.503 8.994 4.837 1.00 0.00 H new ATOM 0 HA THR A 71 -8.127 8.743 2.432 1.00 0.00 H new ATOM 0 HB THR A 71 -8.180 11.155 2.586 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.670 12.222 3.564 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.248 11.396 4.840 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.751 9.899 4.021 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.538 9.837 5.321 1.00 0.00 H new ATOM 1149 N TYR A 72 -6.614 9.915 0.687 1.00 0.00 N ATOM 1150 CA TYR A 72 -5.687 10.339 -0.350 1.00 0.00 C ATOM 1151 C TYR A 72 -4.726 11.435 0.123 1.00 0.00 C ATOM 1152 O TYR A 72 -3.660 11.564 -0.466 1.00 0.00 O ATOM 1153 CB TYR A 72 -6.470 10.834 -1.571 1.00 0.00 C ATOM 1154 CG TYR A 72 -6.939 9.779 -2.559 1.00 0.00 C ATOM 1155 CD1 TYR A 72 -6.002 8.908 -3.146 1.00 0.00 C ATOM 1156 CD2 TYR A 72 -8.278 9.755 -2.995 1.00 0.00 C ATOM 1157 CE1 TYR A 72 -6.375 8.072 -4.210 1.00 0.00 C ATOM 1158 CE2 TYR A 72 -8.667 8.905 -4.049 1.00 0.00 C ATOM 1159 CZ TYR A 72 -7.706 8.085 -4.681 1.00 0.00 C ATOM 1160 OH TYR A 72 -8.042 7.297 -5.738 1.00 0.00 O ATOM 0 H TYR A 72 -7.596 10.016 0.429 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.081 9.471 -0.612 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.345 11.379 -1.215 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.846 11.548 -2.108 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.988 8.883 -2.775 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -9.010 10.391 -2.519 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.645 7.420 -4.667 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.697 8.880 -4.373 1.00 0.00 H new ATOM 0 HH TYR A 72 -8.993 7.414 -5.944 1.00 0.00 H new ATOM 1170 N SER A 73 -5.055 12.222 1.151 1.00 0.00 N ATOM 1171 CA SER A 73 -4.175 13.284 1.625 1.00 0.00 C ATOM 1172 C SER A 73 -3.285 12.823 2.773 1.00 0.00 C ATOM 1173 O SER A 73 -2.127 13.247 2.856 1.00 0.00 O ATOM 1174 CB SER A 73 -5.028 14.482 2.005 1.00 0.00 C ATOM 1175 OG SER A 73 -6.047 14.168 2.934 1.00 0.00 O ATOM 0 H SER A 73 -5.929 12.140 1.670 1.00 0.00 H new ATOM 0 HA SER A 73 -3.491 13.569 0.826 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.388 15.257 2.426 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.481 14.897 1.105 1.00 0.00 H new ATOM 0 HG SER A 73 -6.561 14.976 3.141 1.00 0.00 H new ATOM 1181 N GLU A 74 -3.791 11.910 3.609 1.00 0.00 N ATOM 1182 CA GLU A 74 -2.951 11.197 4.563 1.00 0.00 C ATOM 1183 C GLU A 74 -1.825 10.509 3.784 1.00 0.00 C ATOM 1184 O GLU A 74 -0.681 10.584 4.207 1.00 0.00 O ATOM 1185 CB GLU A 74 -3.751 10.213 5.441 1.00 0.00 C ATOM 1186 CG GLU A 74 -4.534 10.881 6.584 1.00 0.00 C ATOM 1187 CD GLU A 74 -5.065 9.881 7.632 1.00 0.00 C ATOM 1188 OE1 GLU A 74 -5.997 9.086 7.361 1.00 0.00 O ATOM 1189 OE2 GLU A 74 -4.577 9.912 8.789 1.00 0.00 O ATOM 0 H GLU A 74 -4.777 11.651 3.640 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.523 11.908 5.269 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.450 9.665 4.809 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.064 9.481 5.866 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.889 11.607 7.080 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.373 11.435 6.164 1.00 0.00 H new ATOM 1196 N PHE A 75 -2.105 9.928 2.612 1.00 0.00 N ATOM 1197 CA PHE A 75 -1.096 9.341 1.730 1.00 0.00 C ATOM 1198 C PHE A 75 0.003 10.333 1.363 1.00 0.00 C ATOM 1199 O PHE A 75 1.174 9.985 1.494 1.00 0.00 O ATOM 1200 CB PHE A 75 -1.792 8.762 0.499 1.00 0.00 C ATOM 1201 CG PHE A 75 -0.974 8.428 -0.746 1.00 0.00 C ATOM 1202 CD1 PHE A 75 0.303 7.834 -0.669 1.00 0.00 C ATOM 1203 CD2 PHE A 75 -1.571 8.596 -2.011 1.00 0.00 C ATOM 1204 CE1 PHE A 75 0.923 7.329 -1.826 1.00 0.00 C ATOM 1205 CE2 PHE A 75 -0.938 8.123 -3.172 1.00 0.00 C ATOM 1206 CZ PHE A 75 0.299 7.467 -3.077 1.00 0.00 C ATOM 0 H PHE A 75 -3.054 9.852 2.246 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.588 8.536 2.261 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.298 7.848 0.811 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.566 9.469 0.200 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.807 7.767 0.284 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.526 9.094 -2.089 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.880 6.834 -1.753 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.403 8.264 -4.137 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.770 7.069 -3.964 1.00 0.00 H new ATOM 1216 N ILE A 76 -0.334 11.555 0.938 1.00 0.00 N ATOM 1217 CA ILE A 76 0.677 12.534 0.537 1.00 0.00 C ATOM 1218 C ILE A 76 1.631 12.862 1.699 1.00 0.00 C ATOM 1219 O ILE A 76 2.813 13.078 1.454 1.00 0.00 O ATOM 1220 CB ILE A 76 0.013 13.794 -0.072 1.00 0.00 C ATOM 1221 CG1 ILE A 76 -0.870 13.490 -1.305 1.00 0.00 C ATOM 1222 CG2 ILE A 76 1.057 14.867 -0.441 1.00 0.00 C ATOM 1223 CD1 ILE A 76 -0.243 12.621 -2.405 1.00 0.00 C ATOM 0 H ILE A 76 -1.295 11.887 0.864 1.00 0.00 H new ATOM 0 HA ILE A 76 1.293 12.093 -0.247 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.639 14.177 0.713 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.779 12.998 -0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.171 14.438 -1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.552 15.735 -0.865 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.603 15.166 0.454 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.754 14.460 -1.173 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.962 12.481 -3.212 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.648 13.113 -2.794 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.030 11.651 -1.991 1.00 0.00 H new ATOM 1235 N ASP A 77 1.165 12.860 2.950 1.00 0.00 N ATOM 1236 CA ASP A 77 2.002 13.041 4.149 1.00 0.00 C ATOM 1237 C ASP A 77 2.985 11.893 4.321 1.00 0.00 C ATOM 1238 O ASP A 77 4.111 12.069 4.792 1.00 0.00 O ATOM 1239 CB ASP A 77 1.055 13.165 5.339 1.00 0.00 C ATOM 1240 CG ASP A 77 1.510 12.867 6.774 1.00 0.00 C ATOM 1241 OD1 ASP A 77 2.702 12.703 7.114 1.00 0.00 O ATOM 1242 OD2 ASP A 77 0.575 12.806 7.613 1.00 0.00 O ATOM 0 H ASP A 77 0.177 12.730 3.167 1.00 0.00 H new ATOM 0 HA ASP A 77 2.614 13.939 4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.677 14.187 5.335 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.207 12.511 5.136 1.00 0.00 H new ATOM 1247 N LEU A 78 2.598 10.702 3.875 1.00 0.00 N ATOM 1248 CA LEU A 78 3.486 9.564 3.952 1.00 0.00 C ATOM 1249 C LEU A 78 4.495 9.544 2.780 1.00 0.00 C ATOM 1250 O LEU A 78 5.282 8.600 2.695 1.00 0.00 O ATOM 1251 CB LEU A 78 2.714 8.238 4.042 1.00 0.00 C ATOM 1252 CG LEU A 78 1.371 8.183 4.786 1.00 0.00 C ATOM 1253 CD1 LEU A 78 0.881 6.740 4.856 1.00 0.00 C ATOM 1254 CD2 LEU A 78 1.314 8.786 6.196 1.00 0.00 C ATOM 0 H LEU A 78 1.685 10.508 3.463 1.00 0.00 H new ATOM 0 HA LEU A 78 4.055 9.672 4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.535 7.897 3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.375 7.509 4.510 1.00 0.00 H new ATOM 0 HG LEU A 78 0.728 8.828 4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.072 6.704 5.384 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.751 6.351 3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.613 6.132 5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.307 8.676 6.598 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.021 8.267 6.843 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.573 9.844 6.150 1.00 0.00 H new ATOM 1266 N LEU A 79 4.460 10.536 1.874 1.00 0.00 N ATOM 1267 CA LEU A 79 5.386 10.730 0.754 1.00 0.00 C ATOM 1268 C LEU A 79 6.210 11.988 1.014 1.00 0.00 C ATOM 1269 O LEU A 79 7.418 11.900 1.170 1.00 0.00 O ATOM 1270 CB LEU A 79 4.658 10.901 -0.588 1.00 0.00 C ATOM 1271 CG LEU A 79 3.745 9.747 -1.019 1.00 0.00 C ATOM 1272 CD1 LEU A 79 3.045 10.171 -2.317 1.00 0.00 C ATOM 1273 CD2 LEU A 79 4.560 8.465 -1.212 1.00 0.00 C ATOM 0 H LEU A 79 3.744 11.262 1.909 1.00 0.00 H new ATOM 0 HA LEU A 79 6.012 9.840 0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.059 11.810 -0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.406 11.054 -1.366 1.00 0.00 H new ATOM 0 HG LEU A 79 3.000 9.534 -0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.386 9.371 -2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.459 11.072 -2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.792 10.372 -3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.898 7.655 -1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.315 8.626 -1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.048 8.200 -0.274 1.00 0.00 H new ATOM 1285 N GLU A 80 5.569 13.160 1.035 1.00 0.00 N ATOM 1286 CA GLU A 80 6.143 14.496 1.152 1.00 0.00 C ATOM 1287 C GLU A 80 7.334 14.689 0.215 1.00 0.00 C ATOM 1288 O GLU A 80 7.161 15.098 -0.934 1.00 0.00 O ATOM 1289 CB GLU A 80 6.392 14.878 2.618 1.00 0.00 C ATOM 1290 CG GLU A 80 5.073 14.910 3.405 1.00 0.00 C ATOM 1291 CD GLU A 80 5.294 15.235 4.879 1.00 0.00 C ATOM 1292 OE1 GLU A 80 6.247 14.711 5.510 1.00 0.00 O ATOM 1293 OE2 GLU A 80 4.574 16.102 5.418 1.00 0.00 O ATOM 0 H GLU A 80 4.552 13.198 0.965 1.00 0.00 H new ATOM 0 HA GLU A 80 5.408 15.221 0.802 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.076 14.162 3.074 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.874 15.854 2.667 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.407 15.653 2.966 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.575 13.944 3.317 1.00 0.00 H new ATOM 1300 N GLY A 81 8.539 14.448 0.713 1.00 0.00 N ATOM 1301 CA GLY A 81 9.799 14.602 0.004 1.00 0.00 C ATOM 1302 C GLY A 81 10.550 13.289 -0.204 1.00 0.00 C ATOM 1303 O GLY A 81 11.766 13.310 -0.402 1.00 0.00 O ATOM 0 H GLY A 81 8.669 14.123 1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.606 15.058 -0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.436 15.291 0.559 1.00 0.00 H new ATOM 1307 N GLU A 82 9.867 12.148 -0.118 1.00 0.00 N ATOM 1308 CA GLU A 82 10.470 10.834 0.060 1.00 0.00 C ATOM 1309 C GLU A 82 10.061 9.959 -1.130 1.00 0.00 C ATOM 1310 O GLU A 82 9.545 8.860 -0.960 1.00 0.00 O ATOM 1311 CB GLU A 82 10.061 10.219 1.420 1.00 0.00 C ATOM 1312 CG GLU A 82 10.281 11.110 2.657 1.00 0.00 C ATOM 1313 CD GLU A 82 11.758 11.354 2.963 1.00 0.00 C ATOM 1314 OE1 GLU A 82 12.380 10.531 3.678 1.00 0.00 O ATOM 1315 OE2 GLU A 82 12.310 12.386 2.524 1.00 0.00 O ATOM 0 H GLU A 82 8.849 12.115 -0.172 1.00 0.00 H new ATOM 0 HA GLU A 82 11.557 10.910 0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.005 9.951 1.373 1.00 0.00 H new ATOM 0 HB3 GLU A 82 10.619 9.293 1.560 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.785 12.068 2.501 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.809 10.644 3.522 1.00 0.00 H new ATOM 1322 N GLU A 83 10.283 10.418 -2.368 1.00 0.00 N ATOM 1323 CA GLU A 83 9.672 9.782 -3.534 1.00 0.00 C ATOM 1324 C GLU A 83 10.402 8.491 -3.975 1.00 0.00 C ATOM 1325 O GLU A 83 11.007 8.440 -5.051 1.00 0.00 O ATOM 1326 CB GLU A 83 9.491 10.786 -4.690 1.00 0.00 C ATOM 1327 CG GLU A 83 8.292 11.709 -4.463 1.00 0.00 C ATOM 1328 CD GLU A 83 8.079 12.719 -5.603 1.00 0.00 C ATOM 1329 OE1 GLU A 83 7.371 12.417 -6.584 1.00 0.00 O ATOM 1330 OE2 GLU A 83 8.546 13.877 -5.485 1.00 0.00 O ATOM 0 H GLU A 83 10.876 11.220 -2.584 1.00 0.00 H new ATOM 0 HA GLU A 83 8.677 9.458 -3.228 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.395 11.385 -4.795 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.358 10.242 -5.625 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.392 11.104 -4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.431 12.251 -3.528 1.00 0.00 H new ATOM 1337 N LYS A 84 10.338 7.420 -3.169 1.00 0.00 N ATOM 1338 CA LYS A 84 11.003 6.127 -3.405 1.00 0.00 C ATOM 1339 C LYS A 84 10.133 4.923 -3.031 1.00 0.00 C ATOM 1340 O LYS A 84 10.679 3.902 -2.603 1.00 0.00 O ATOM 1341 CB LYS A 84 12.301 6.125 -2.575 1.00 0.00 C ATOM 1342 CG LYS A 84 13.402 7.046 -3.118 1.00 0.00 C ATOM 1343 CD LYS A 84 14.016 7.906 -2.012 1.00 0.00 C ATOM 1344 CE LYS A 84 13.125 9.123 -1.744 1.00 0.00 C ATOM 1345 NZ LYS A 84 13.575 10.310 -2.505 1.00 0.00 N ATOM 0 H LYS A 84 9.801 7.430 -2.302 1.00 0.00 H new ATOM 0 HA LYS A 84 11.203 6.025 -4.472 1.00 0.00 H new ATOM 0 HB2 LYS A 84 12.065 6.424 -1.554 1.00 0.00 H new ATOM 0 HB3 LYS A 84 12.686 5.106 -2.528 1.00 0.00 H new ATOM 0 HG2 LYS A 84 14.181 6.445 -3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.988 7.691 -3.893 1.00 0.00 H new ATOM 0 HD2 LYS A 84 14.127 7.318 -1.101 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.014 8.232 -2.304 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.096 8.887 -2.014 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.131 9.351 -0.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.948 11.113 -2.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.548 10.551 -2.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 13.545 10.101 -3.523 1.00 0.00 H new ATOM 1359 N PHE A 85 8.824 5.004 -3.297 1.00 0.00 N ATOM 1360 CA PHE A 85 7.807 3.978 -3.004 1.00 0.00 C ATOM 1361 C PHE A 85 6.399 4.554 -3.151 1.00 0.00 C ATOM 1362 O PHE A 85 5.628 4.591 -2.198 1.00 0.00 O ATOM 1363 CB PHE A 85 8.025 3.294 -1.629 1.00 0.00 C ATOM 1364 CG PHE A 85 8.556 4.193 -0.509 1.00 0.00 C ATOM 1365 CD1 PHE A 85 8.090 5.515 -0.334 1.00 0.00 C ATOM 1366 CD2 PHE A 85 9.587 3.722 0.328 1.00 0.00 C ATOM 1367 CE1 PHE A 85 8.672 6.358 0.626 1.00 0.00 C ATOM 1368 CE2 PHE A 85 10.178 4.572 1.280 1.00 0.00 C ATOM 1369 CZ PHE A 85 9.740 5.900 1.411 1.00 0.00 C ATOM 0 H PHE A 85 8.421 5.827 -3.745 1.00 0.00 H new ATOM 0 HA PHE A 85 7.921 3.187 -3.745 1.00 0.00 H new ATOM 0 HB2 PHE A 85 7.077 2.865 -1.305 1.00 0.00 H new ATOM 0 HB3 PHE A 85 8.721 2.466 -1.764 1.00 0.00 H new ATOM 0 HD1 PHE A 85 7.278 5.881 -0.945 1.00 0.00 H new ATOM 0 HD2 PHE A 85 9.926 2.701 0.238 1.00 0.00 H new ATOM 0 HE1 PHE A 85 8.296 7.362 0.760 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.971 4.202 1.913 1.00 0.00 H new ATOM 0 HZ PHE A 85 10.223 6.565 2.112 1.00 0.00 H new ATOM 1379 N ILE A 86 6.063 5.059 -4.335 1.00 0.00 N ATOM 1380 CA ILE A 86 4.776 5.726 -4.555 1.00 0.00 C ATOM 1381 C ILE A 86 3.765 4.683 -5.043 1.00 0.00 C ATOM 1382 O ILE A 86 4.103 3.504 -5.205 1.00 0.00 O ATOM 1383 CB ILE A 86 4.912 6.940 -5.510 1.00 0.00 C ATOM 1384 CG1 ILE A 86 6.316 7.572 -5.529 1.00 0.00 C ATOM 1385 CG2 ILE A 86 3.922 8.040 -5.106 1.00 0.00 C ATOM 1386 CD1 ILE A 86 6.876 7.987 -4.156 1.00 0.00 C ATOM 0 H ILE A 86 6.662 5.021 -5.159 1.00 0.00 H new ATOM 0 HA ILE A 86 4.411 6.147 -3.618 1.00 0.00 H new ATOM 0 HB ILE A 86 4.707 6.545 -6.505 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.008 6.864 -5.985 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.291 8.452 -6.172 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.025 8.888 -5.782 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.905 7.653 -5.162 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.132 8.362 -4.086 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.868 8.420 -4.284 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.214 8.724 -3.701 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.943 7.111 -3.510 1.00 0.00 H new ATOM 1398 N GLY A 87 2.545 5.095 -5.372 1.00 0.00 N ATOM 1399 CA GLY A 87 1.886 4.483 -6.500 1.00 0.00 C ATOM 1400 C GLY A 87 0.427 4.782 -6.572 1.00 0.00 C ATOM 1401 O GLY A 87 0.023 5.879 -6.132 1.00 0.00 O ATOM 0 H GLY A 87 2.016 5.822 -4.890 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.364 4.824 -7.418 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.025 3.403 -6.450 1.00 0.00 H new TER 1405 GLY A 87