USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 728 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 72 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 75 GLN : amide:sc=-0.00156 K(o=-0.0016,f=-1.2) USER MOD Set 2.1: A 45 LYS NZ :NH3+ -173:sc= -0.629 (180deg=-0.715) USER MOD Set 2.2: A 55 MET CE :methyl 175:sc= -3.58! (180deg=-3.79!) USER MOD Set 3.1: A 31 GLN : amide:sc= -3.76! C(o=-3.8!,f=-7.3!) USER MOD Set 3.2: A 33 LYS NZ :NH3+ -164:sc= -0.0286 (180deg=-0.252) USER MOD Set 4.1: A 25 GLN : amide:sc= 0.0442 K(o=-1.5,f=-2.5) USER MOD Set 4.2: A 88 GLN : amide:sc= -1.59! K(o=-1.5!,f=-2.5) USER MOD Set 5.1: A 15 ASN : amide:sc= 0.898 K(o=2,f=0.11) USER MOD Set 5.2: A 17 HIS : no HE2:sc= 1.14 K(o=2,f=-7.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -126:sc= -0.298 (180deg=-0.492) USER MOD Single : A 5 LYS NZ :NH3+ -164:sc= -0.0158 (180deg=-0.211) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= 0.875 (180deg=0.27!) USER MOD Single : A 12 THR OG1 : rot -41:sc= 0.532 USER MOD Single : A 14 ASN : amide:sc= 1.04 K(o=1,f=-0.27) USER MOD Single : A 19 ASN : amide:sc= -0.878 K(o=-0.88,f=-4.3!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 95:sc= 1.26 USER MOD Single : A 35 LYS NZ :NH3+ -178:sc= 0.0139 (180deg=0.0133) USER MOD Single : A 37 HIS : no HD1:sc= -0.009 X(o=-0.009,f=-0.24) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.025 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 165:sc=-0.00816 (180deg=-0.115) USER MOD Single : A 44 MET CE :methyl -138:sc= -1.07 (180deg=-4.03!) USER MOD Single : A 47 TYR OH : rot 20:sc= 1.24 USER MOD Single : A 48 CYS SG : rot -36:sc= -0.965 USER MOD Single : A 51 GLN : amide:sc= -3.21 K(o=-3.2,f=-5.4!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN :FLIP amide:sc= -0.31 F(o=-5.4!,f=-0.31) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 68 ASN : amide:sc= 0.374 K(o=0.37,f=-3.4!) USER MOD Single : A 70 THR OG1 : rot -28:sc= 1.01 USER MOD Single : A 78 MET CE :methyl -151:sc= -1.25 (180deg=-2.8!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.41! C(o=-1.4!,f=-8.1!) USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0014 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.286 27.519 2.727 1.00 0.00 N ATOM 2 CA MET A 1 9.752 27.651 2.541 1.00 0.00 C ATOM 3 C MET A 1 10.434 27.787 3.877 1.00 0.00 C ATOM 4 O MET A 1 11.303 28.639 4.082 1.00 0.00 O ATOM 5 CB MET A 1 10.061 28.849 1.668 1.00 0.00 C ATOM 6 CG MET A 1 9.457 28.737 0.301 1.00 0.00 C ATOM 7 SD MET A 1 9.857 30.138 -0.758 1.00 0.00 S ATOM 8 CE MET A 1 8.945 29.712 -2.239 1.00 0.00 C ATOM 0 H1 MET A 1 7.950 26.663 2.241 1.00 0.00 H new ATOM 0 H2 MET A 1 8.070 27.448 3.742 1.00 0.00 H new ATOM 0 H3 MET A 1 7.809 28.353 2.329 1.00 0.00 H new ATOM 0 HA MET A 1 10.127 26.754 2.048 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.690 29.752 2.152 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.142 28.958 1.576 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.807 27.819 -0.171 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.374 28.655 0.393 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.092 30.486 -2.992 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.303 28.757 -2.625 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.884 29.633 -2.003 1.00 0.00 H new ATOM 18 N ALA A 2 10.048 26.938 4.782 1.00 0.00 N ATOM 19 CA ALA A 2 10.590 26.946 6.133 1.00 0.00 C ATOM 20 C ALA A 2 10.685 25.535 6.696 1.00 0.00 C ATOM 21 O ALA A 2 11.493 25.262 7.575 1.00 0.00 O ATOM 22 CB ALA A 2 9.735 27.814 7.037 1.00 0.00 C ATOM 0 H ALA A 2 9.348 26.214 4.617 1.00 0.00 H new ATOM 0 HA ALA A 2 11.597 27.361 6.090 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.152 27.811 8.044 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.720 28.834 6.654 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.719 27.421 7.064 1.00 0.00 H new ATOM 28 N ASP A 3 9.854 24.639 6.190 1.00 0.00 N ATOM 29 CA ASP A 3 9.834 23.254 6.641 1.00 0.00 C ATOM 30 C ASP A 3 10.786 22.399 5.808 1.00 0.00 C ATOM 31 O ASP A 3 11.246 21.344 6.239 1.00 0.00 O ATOM 32 CB ASP A 3 8.410 22.705 6.558 1.00 0.00 C ATOM 33 CG ASP A 3 8.320 21.250 6.935 1.00 0.00 C ATOM 34 OD1 ASP A 3 8.446 20.938 8.130 1.00 0.00 O ATOM 35 OD2 ASP A 3 8.107 20.410 6.038 1.00 0.00 O ATOM 0 H ASP A 3 9.176 24.848 5.457 1.00 0.00 H new ATOM 0 HA ASP A 3 10.170 23.218 7.677 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.763 23.286 7.215 1.00 0.00 H new ATOM 0 HB3 ASP A 3 8.034 22.836 5.543 1.00 0.00 H new ATOM 40 N GLU A 4 11.107 22.880 4.622 1.00 0.00 N ATOM 41 CA GLU A 4 12.019 22.182 3.716 1.00 0.00 C ATOM 42 C GLU A 4 13.435 22.651 4.002 1.00 0.00 C ATOM 43 O GLU A 4 14.415 22.143 3.459 1.00 0.00 O ATOM 44 CB GLU A 4 11.666 22.537 2.278 1.00 0.00 C ATOM 45 CG GLU A 4 12.181 21.555 1.239 1.00 0.00 C ATOM 46 CD GLU A 4 11.529 20.193 1.345 1.00 0.00 C ATOM 47 OE1 GLU A 4 10.346 20.066 0.967 1.00 0.00 O ATOM 48 OE2 GLU A 4 12.194 19.237 1.790 1.00 0.00 O ATOM 0 H GLU A 4 10.748 23.761 4.254 1.00 0.00 H new ATOM 0 HA GLU A 4 11.938 21.105 3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.582 22.603 2.190 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.065 23.526 2.053 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.004 21.961 0.243 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.260 21.446 1.352 1.00 0.00 H new ATOM 55 N LYS A 5 13.521 23.631 4.864 1.00 0.00 N ATOM 56 CA LYS A 5 14.761 24.281 5.200 1.00 0.00 C ATOM 57 C LYS A 5 15.622 23.453 6.195 1.00 0.00 C ATOM 58 O LYS A 5 16.828 23.307 5.987 1.00 0.00 O ATOM 59 CB LYS A 5 14.452 25.677 5.735 1.00 0.00 C ATOM 60 CG LYS A 5 15.633 26.589 5.819 1.00 0.00 C ATOM 61 CD LYS A 5 15.186 28.000 6.163 1.00 0.00 C ATOM 62 CE LYS A 5 16.349 28.877 6.579 1.00 0.00 C ATOM 63 NZ LYS A 5 16.891 28.475 7.899 1.00 0.00 N ATOM 0 H LYS A 5 12.714 24.007 5.362 1.00 0.00 H new ATOM 0 HA LYS A 5 15.368 24.364 4.298 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.699 26.138 5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 5 14.012 25.582 6.728 1.00 0.00 H new ATOM 0 HG2 LYS A 5 16.328 26.226 6.576 1.00 0.00 H new ATOM 0 HG3 LYS A 5 16.168 26.591 4.869 1.00 0.00 H new ATOM 0 HD2 LYS A 5 14.688 28.443 5.301 1.00 0.00 H new ATOM 0 HD3 LYS A 5 14.454 27.962 6.969 1.00 0.00 H new ATOM 0 HE2 LYS A 5 17.137 28.818 5.828 1.00 0.00 H new ATOM 0 HE3 LYS A 5 16.025 29.917 6.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.488 29.238 8.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.106 28.293 8.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 17.460 27.611 7.792 1.00 0.00 H new ATOM 77 N PRO A 6 15.031 22.914 7.306 1.00 0.00 N ATOM 78 CA PRO A 6 15.769 22.072 8.250 1.00 0.00 C ATOM 79 C PRO A 6 16.023 20.669 7.688 1.00 0.00 C ATOM 80 O PRO A 6 15.664 20.362 6.549 1.00 0.00 O ATOM 81 CB PRO A 6 14.846 21.985 9.483 1.00 0.00 C ATOM 82 CG PRO A 6 13.740 22.956 9.227 1.00 0.00 C ATOM 83 CD PRO A 6 13.644 23.097 7.741 1.00 0.00 C ATOM 0 HA PRO A 6 16.751 22.488 8.472 1.00 0.00 H new ATOM 0 HB2 PRO A 6 14.458 20.974 9.612 1.00 0.00 H new ATOM 0 HB3 PRO A 6 15.386 22.238 10.395 1.00 0.00 H new ATOM 0 HG2 PRO A 6 12.800 22.595 9.645 1.00 0.00 H new ATOM 0 HG3 PRO A 6 13.949 23.917 9.696 1.00 0.00 H new ATOM 0 HD2 PRO A 6 12.982 22.349 7.306 1.00 0.00 H new ATOM 0 HD3 PRO A 6 13.255 24.073 7.452 1.00 0.00 H new ATOM 91 N LYS A 7 16.649 19.815 8.486 1.00 0.00 N ATOM 92 CA LYS A 7 16.951 18.449 8.072 1.00 0.00 C ATOM 93 C LYS A 7 16.115 17.443 8.864 1.00 0.00 C ATOM 94 O LYS A 7 16.411 16.242 8.892 1.00 0.00 O ATOM 95 CB LYS A 7 18.431 18.170 8.280 1.00 0.00 C ATOM 96 CG LYS A 7 18.889 18.348 9.716 1.00 0.00 C ATOM 97 CD LYS A 7 20.385 18.199 9.830 1.00 0.00 C ATOM 98 CE LYS A 7 20.838 16.800 9.447 1.00 0.00 C ATOM 99 NZ LYS A 7 22.297 16.617 9.629 1.00 0.00 N ATOM 0 H LYS A 7 16.960 20.045 9.430 1.00 0.00 H new ATOM 0 HA LYS A 7 16.704 18.342 7.016 1.00 0.00 H new ATOM 0 HB2 LYS A 7 18.648 17.150 7.963 1.00 0.00 H new ATOM 0 HB3 LYS A 7 19.011 18.833 7.638 1.00 0.00 H new ATOM 0 HG2 LYS A 7 18.590 19.332 10.077 1.00 0.00 H new ATOM 0 HG3 LYS A 7 18.397 17.612 10.352 1.00 0.00 H new ATOM 0 HD2 LYS A 7 20.874 18.930 9.186 1.00 0.00 H new ATOM 0 HD3 LYS A 7 20.696 18.416 10.852 1.00 0.00 H new ATOM 0 HE2 LYS A 7 20.303 16.068 10.052 1.00 0.00 H new ATOM 0 HE3 LYS A 7 20.576 16.607 8.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 22.562 15.649 9.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 22.809 17.298 9.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 22.545 16.776 10.626 1.00 0.00 H new ATOM 113 N GLU A 8 15.067 17.932 9.503 1.00 0.00 N ATOM 114 CA GLU A 8 14.204 17.097 10.327 1.00 0.00 C ATOM 115 C GLU A 8 13.297 16.222 9.464 1.00 0.00 C ATOM 116 O GLU A 8 13.147 16.456 8.261 1.00 0.00 O ATOM 117 CB GLU A 8 13.382 17.971 11.266 1.00 0.00 C ATOM 118 CG GLU A 8 14.241 18.810 12.196 1.00 0.00 C ATOM 119 CD GLU A 8 13.436 19.761 13.043 1.00 0.00 C ATOM 120 OE1 GLU A 8 12.926 19.340 14.096 1.00 0.00 O ATOM 121 OE2 GLU A 8 13.328 20.949 12.666 1.00 0.00 O ATOM 0 H GLU A 8 14.789 18.913 9.467 1.00 0.00 H new ATOM 0 HA GLU A 8 14.830 16.432 10.923 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.744 18.629 10.676 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.724 17.338 11.860 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.815 18.150 12.846 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.959 19.378 11.605 1.00 0.00 H new ATOM 128 N GLY A 9 12.682 15.221 10.076 1.00 0.00 N ATOM 129 CA GLY A 9 11.842 14.307 9.333 1.00 0.00 C ATOM 130 C GLY A 9 10.459 14.182 9.930 1.00 0.00 C ATOM 131 O GLY A 9 9.469 14.569 9.312 1.00 0.00 O ATOM 0 H GLY A 9 12.750 15.026 11.075 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.760 14.650 8.302 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.313 13.325 9.306 1.00 0.00 H new ATOM 135 N VAL A 10 10.377 13.645 11.136 1.00 0.00 N ATOM 136 CA VAL A 10 9.096 13.480 11.798 1.00 0.00 C ATOM 137 C VAL A 10 8.640 14.796 12.412 1.00 0.00 C ATOM 138 O VAL A 10 9.433 15.530 13.015 1.00 0.00 O ATOM 139 CB VAL A 10 9.133 12.368 12.883 1.00 0.00 C ATOM 140 CG1 VAL A 10 10.185 12.663 13.936 1.00 0.00 C ATOM 141 CG2 VAL A 10 7.760 12.197 13.529 1.00 0.00 C ATOM 0 H VAL A 10 11.179 13.317 11.674 1.00 0.00 H new ATOM 0 HA VAL A 10 8.380 13.170 11.037 1.00 0.00 H new ATOM 0 HB VAL A 10 9.402 11.433 12.392 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.187 11.868 14.681 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.166 12.721 13.464 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.959 13.613 14.420 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.809 11.414 14.285 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.458 13.134 13.996 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.031 11.921 12.767 1.00 0.00 H new ATOM 151 N LYS A 11 7.373 15.104 12.245 1.00 0.00 N ATOM 152 CA LYS A 11 6.810 16.329 12.753 1.00 0.00 C ATOM 153 C LYS A 11 5.406 16.076 13.267 1.00 0.00 C ATOM 154 O LYS A 11 4.866 14.979 13.107 1.00 0.00 O ATOM 155 CB LYS A 11 6.768 17.373 11.646 1.00 0.00 C ATOM 156 CG LYS A 11 5.929 16.958 10.440 1.00 0.00 C ATOM 157 CD LYS A 11 6.786 16.643 9.227 1.00 0.00 C ATOM 158 CE LYS A 11 7.585 17.858 8.778 1.00 0.00 C ATOM 159 NZ LYS A 11 6.723 19.057 8.611 1.00 0.00 N ATOM 0 H LYS A 11 6.706 14.510 11.752 1.00 0.00 H new ATOM 0 HA LYS A 11 7.431 16.695 13.571 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.370 18.303 12.051 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.786 17.580 11.315 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.332 16.083 10.698 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.231 17.758 10.192 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.467 15.826 9.464 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.150 16.302 8.410 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.365 18.070 9.510 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.085 17.636 7.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.319 19.906 8.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.155 18.958 7.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.090 19.147 9.432 1.00 0.00 H new ATOM 173 N THR A 12 4.809 17.078 13.881 1.00 0.00 N ATOM 174 CA THR A 12 3.456 16.950 14.393 1.00 0.00 C ATOM 175 C THR A 12 2.730 18.291 14.393 1.00 0.00 C ATOM 176 O THR A 12 1.645 18.437 14.964 1.00 0.00 O ATOM 177 CB THR A 12 3.470 16.353 15.811 1.00 0.00 C ATOM 178 OG1 THR A 12 2.143 16.006 16.231 1.00 0.00 O ATOM 179 CG2 THR A 12 4.084 17.322 16.808 1.00 0.00 C ATOM 0 H THR A 12 5.238 17.990 14.038 1.00 0.00 H new ATOM 0 HA THR A 12 2.915 16.275 13.730 1.00 0.00 H new ATOM 0 HB THR A 12 4.081 15.451 15.780 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.517 16.706 15.950 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.080 16.873 17.801 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.110 17.545 16.514 1.00 0.00 H new ATOM 0 HG23 THR A 12 3.503 18.244 16.824 1.00 0.00 H new ATOM 187 N GLU A 13 3.314 19.263 13.732 1.00 0.00 N ATOM 188 CA GLU A 13 2.723 20.599 13.657 1.00 0.00 C ATOM 189 C GLU A 13 1.345 20.540 12.985 1.00 0.00 C ATOM 190 O GLU A 13 0.389 21.185 13.423 1.00 0.00 O ATOM 191 CB GLU A 13 3.661 21.584 12.931 1.00 0.00 C ATOM 192 CG GLU A 13 3.717 21.438 11.414 1.00 0.00 C ATOM 193 CD GLU A 13 4.352 20.145 10.954 1.00 0.00 C ATOM 194 OE1 GLU A 13 5.590 20.094 10.843 1.00 0.00 O ATOM 195 OE2 GLU A 13 3.612 19.171 10.699 1.00 0.00 O ATOM 0 H GLU A 13 4.199 19.164 13.235 1.00 0.00 H new ATOM 0 HA GLU A 13 2.588 20.970 14.673 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.348 22.600 13.170 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.668 21.459 13.328 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.705 21.499 11.014 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.275 22.276 10.997 1.00 0.00 H new ATOM 202 N ASN A 14 1.249 19.743 11.940 1.00 0.00 N ATOM 203 CA ASN A 14 0.006 19.543 11.235 1.00 0.00 C ATOM 204 C ASN A 14 -0.078 18.093 10.786 1.00 0.00 C ATOM 205 O ASN A 14 0.565 17.682 9.812 1.00 0.00 O ATOM 206 CB ASN A 14 -0.101 20.493 10.037 1.00 0.00 C ATOM 207 CG ASN A 14 -1.541 20.792 9.658 1.00 0.00 C ATOM 208 OD1 ASN A 14 -2.152 21.723 10.183 1.00 0.00 O ATOM 209 ND2 ASN A 14 -2.090 20.024 8.747 1.00 0.00 N ATOM 0 H ASN A 14 2.034 19.216 11.558 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.828 19.764 11.901 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.411 21.426 10.271 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.412 20.053 9.182 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.053 20.190 8.453 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.554 19.261 8.333 1.00 0.00 H new ATOM 216 N ASN A 15 -0.825 17.299 11.522 1.00 0.00 N ATOM 217 CA ASN A 15 -0.952 15.886 11.229 1.00 0.00 C ATOM 218 C ASN A 15 -2.011 15.622 10.167 1.00 0.00 C ATOM 219 O ASN A 15 -3.204 15.534 10.462 1.00 0.00 O ATOM 220 CB ASN A 15 -1.265 15.093 12.505 1.00 0.00 C ATOM 221 CG ASN A 15 -1.446 13.603 12.249 1.00 0.00 C ATOM 222 OD1 ASN A 15 -2.548 13.142 11.966 1.00 0.00 O ATOM 223 ND2 ASN A 15 -0.370 12.847 12.351 1.00 0.00 N ATOM 0 H ASN A 15 -1.358 17.610 12.334 1.00 0.00 H new ATOM 0 HA ASN A 15 0.006 15.549 10.832 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.458 15.237 13.223 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.172 15.491 12.960 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.436 11.842 12.193 1.00 0.00 H new ATOM 0 HD22 ASN A 15 0.528 13.268 12.588 1.00 0.00 H new ATOM 230 N ASP A 16 -1.584 15.551 8.923 1.00 0.00 N ATOM 231 CA ASP A 16 -2.473 15.207 7.825 1.00 0.00 C ATOM 232 C ASP A 16 -2.291 13.748 7.474 1.00 0.00 C ATOM 233 O ASP A 16 -1.516 13.415 6.583 1.00 0.00 O ATOM 234 CB ASP A 16 -2.166 16.045 6.573 1.00 0.00 C ATOM 235 CG ASP A 16 -2.203 17.528 6.817 1.00 0.00 C ATOM 236 OD1 ASP A 16 -1.164 18.091 7.215 1.00 0.00 O ATOM 237 OD2 ASP A 16 -3.268 18.141 6.601 1.00 0.00 O ATOM 0 H ASP A 16 -0.619 15.728 8.643 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.495 15.408 8.145 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.180 15.772 6.196 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.886 15.795 5.794 1.00 0.00 H new ATOM 242 N HIS A 17 -2.964 12.860 8.170 1.00 0.00 N ATOM 243 CA HIS A 17 -2.801 11.444 7.896 1.00 0.00 C ATOM 244 C HIS A 17 -4.123 10.852 7.402 1.00 0.00 C ATOM 245 O HIS A 17 -5.195 11.231 7.872 1.00 0.00 O ATOM 246 CB HIS A 17 -2.285 10.675 9.146 1.00 0.00 C ATOM 247 CG HIS A 17 -3.361 10.232 10.113 1.00 0.00 C ATOM 248 ND1 HIS A 17 -3.914 11.061 11.059 1.00 0.00 N ATOM 249 CD2 HIS A 17 -3.982 9.030 10.264 1.00 0.00 C ATOM 250 CE1 HIS A 17 -4.822 10.402 11.747 1.00 0.00 C ATOM 251 NE2 HIS A 17 -4.881 9.172 11.285 1.00 0.00 N ATOM 0 H HIS A 17 -3.620 13.084 8.919 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.049 11.334 7.115 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.734 9.796 8.811 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.578 11.311 9.679 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -3.660 12.038 11.206 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.800 8.135 9.688 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.417 10.803 12.554 1.00 0.00 H new ATOM 260 N ILE A 18 -4.062 9.932 6.462 1.00 0.00 N ATOM 261 CA ILE A 18 -5.267 9.311 5.939 1.00 0.00 C ATOM 262 C ILE A 18 -5.161 7.794 5.965 1.00 0.00 C ATOM 263 O ILE A 18 -4.064 7.228 6.033 1.00 0.00 O ATOM 264 CB ILE A 18 -5.578 9.775 4.496 1.00 0.00 C ATOM 265 CG1 ILE A 18 -4.358 9.575 3.589 1.00 0.00 C ATOM 266 CG2 ILE A 18 -6.028 11.227 4.488 1.00 0.00 C ATOM 267 CD1 ILE A 18 -4.635 9.839 2.123 1.00 0.00 C ATOM 0 H ILE A 18 -3.194 9.596 6.043 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.083 9.627 6.589 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.393 9.165 4.106 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.557 10.235 3.922 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.996 8.553 3.702 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.242 11.536 3.465 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.927 11.333 5.095 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.237 11.855 4.899 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.725 9.677 1.546 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.413 9.161 1.772 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.967 10.869 1.995 1.00 0.00 H new ATOM 279 N ASN A 19 -6.297 7.136 5.915 1.00 0.00 N ATOM 280 CA ASN A 19 -6.340 5.686 5.936 1.00 0.00 C ATOM 281 C ASN A 19 -6.566 5.154 4.536 1.00 0.00 C ATOM 282 O ASN A 19 -7.567 5.461 3.903 1.00 0.00 O ATOM 283 CB ASN A 19 -7.455 5.177 6.872 1.00 0.00 C ATOM 284 CG ASN A 19 -8.124 6.280 7.678 1.00 0.00 C ATOM 285 OD1 ASN A 19 -7.636 6.694 8.733 1.00 0.00 O ATOM 286 ND2 ASN A 19 -9.253 6.736 7.201 1.00 0.00 N ATOM 0 H ASN A 19 -7.212 7.584 5.859 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.383 5.325 6.313 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.211 4.663 6.278 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.035 4.441 7.558 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.764 7.461 7.705 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.623 6.367 6.325 1.00 0.00 H new ATOM 293 N LEU A 20 -5.631 4.370 4.042 1.00 0.00 N ATOM 294 CA LEU A 20 -5.742 3.787 2.717 1.00 0.00 C ATOM 295 C LEU A 20 -5.878 2.290 2.826 1.00 0.00 C ATOM 296 O LEU A 20 -5.236 1.655 3.661 1.00 0.00 O ATOM 297 CB LEU A 20 -4.527 4.125 1.834 1.00 0.00 C ATOM 298 CG LEU A 20 -4.313 5.601 1.482 1.00 0.00 C ATOM 299 CD1 LEU A 20 -5.634 6.297 1.206 1.00 0.00 C ATOM 300 CD2 LEU A 20 -3.534 6.314 2.564 1.00 0.00 C ATOM 0 H LEU A 20 -4.778 4.119 4.541 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.628 4.212 2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.631 3.763 2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.618 3.564 0.904 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.721 5.641 0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.450 7.343 0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.134 5.809 0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.268 6.239 2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.398 7.359 2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.082 6.257 3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.559 5.840 2.683 1.00 0.00 H new ATOM 312 N LYS A 21 -6.702 1.715 2.000 1.00 0.00 N ATOM 313 CA LYS A 21 -6.901 0.296 2.032 1.00 0.00 C ATOM 314 C LYS A 21 -6.424 -0.349 0.751 1.00 0.00 C ATOM 315 O LYS A 21 -6.634 0.168 -0.338 1.00 0.00 O ATOM 316 CB LYS A 21 -8.359 -0.023 2.301 1.00 0.00 C ATOM 317 CG LYS A 21 -8.698 -1.498 2.220 1.00 0.00 C ATOM 318 CD LYS A 21 -9.923 -1.810 3.044 1.00 0.00 C ATOM 319 CE LYS A 21 -11.117 -0.977 2.596 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.339 -1.280 3.380 1.00 0.00 N ATOM 0 H LYS A 21 -7.248 2.208 1.294 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.306 -0.119 2.845 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.623 0.345 3.293 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.976 0.520 1.585 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.871 -1.780 1.181 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.854 -2.090 2.575 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.163 -2.870 2.957 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.715 -1.616 4.096 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.877 0.082 2.696 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.310 -1.162 1.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.125 -0.690 3.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.585 -2.284 3.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.165 -1.079 4.385 1.00 0.00 H new ATOM 334 N VAL A 22 -5.793 -1.488 0.883 1.00 0.00 N ATOM 335 CA VAL A 22 -5.259 -2.199 -0.251 1.00 0.00 C ATOM 336 C VAL A 22 -6.033 -3.483 -0.458 1.00 0.00 C ATOM 337 O VAL A 22 -6.133 -4.310 0.445 1.00 0.00 O ATOM 338 CB VAL A 22 -3.760 -2.521 -0.067 1.00 0.00 C ATOM 339 CG1 VAL A 22 -3.207 -3.192 -1.304 1.00 0.00 C ATOM 340 CG2 VAL A 22 -2.976 -1.260 0.249 1.00 0.00 C ATOM 0 H VAL A 22 -5.635 -1.949 1.779 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.360 -1.558 -1.127 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.658 -3.207 0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.150 -3.412 -1.157 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.748 -4.120 -1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.324 -2.528 -2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.922 -1.509 0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.086 -0.549 -0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.356 -0.816 1.169 1.00 0.00 H new ATOM 350 N ALA A 23 -6.558 -3.659 -1.646 1.00 0.00 N ATOM 351 CA ALA A 23 -7.373 -4.811 -1.960 1.00 0.00 C ATOM 352 C ALA A 23 -6.856 -5.500 -3.196 1.00 0.00 C ATOM 353 O ALA A 23 -6.733 -4.901 -4.259 1.00 0.00 O ATOM 354 CB ALA A 23 -8.830 -4.412 -2.137 1.00 0.00 C ATOM 0 H ALA A 23 -6.434 -3.010 -2.423 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.314 -5.509 -1.125 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.423 -5.296 -2.373 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.199 -3.963 -1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.914 -3.691 -2.951 1.00 0.00 H new ATOM 360 N GLY A 24 -6.543 -6.758 -3.061 1.00 0.00 N ATOM 361 CA GLY A 24 -6.023 -7.498 -4.177 1.00 0.00 C ATOM 362 C GLY A 24 -7.043 -8.435 -4.752 1.00 0.00 C ATOM 363 O GLY A 24 -7.877 -8.969 -4.022 1.00 0.00 O ATOM 0 H GLY A 24 -6.638 -7.290 -2.196 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.691 -6.804 -4.950 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.147 -8.065 -3.860 1.00 0.00 H new ATOM 367 N GLN A 25 -6.982 -8.659 -6.064 1.00 0.00 N ATOM 368 CA GLN A 25 -7.915 -9.565 -6.738 1.00 0.00 C ATOM 369 C GLN A 25 -7.829 -11.011 -6.210 1.00 0.00 C ATOM 370 O GLN A 25 -8.635 -11.870 -6.564 1.00 0.00 O ATOM 371 CB GLN A 25 -7.755 -9.526 -8.275 1.00 0.00 C ATOM 372 CG GLN A 25 -6.314 -9.483 -8.801 1.00 0.00 C ATOM 373 CD GLN A 25 -5.399 -10.521 -8.182 1.00 0.00 C ATOM 374 OE1 GLN A 25 -5.341 -11.663 -8.632 1.00 0.00 O ATOM 375 NE2 GLN A 25 -4.643 -10.112 -7.184 1.00 0.00 N ATOM 0 H GLN A 25 -6.296 -8.226 -6.683 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.912 -9.197 -6.498 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.247 -10.404 -8.694 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.285 -8.652 -8.653 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.328 -9.625 -9.882 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.900 -8.492 -8.615 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.724 -9.155 -6.842 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.976 -10.753 -6.753 1.00 0.00 H new ATOM 384 N ASP A 26 -6.846 -11.268 -5.368 1.00 0.00 N ATOM 385 CA ASP A 26 -6.664 -12.569 -4.741 1.00 0.00 C ATOM 386 C ASP A 26 -7.649 -12.741 -3.583 1.00 0.00 C ATOM 387 O ASP A 26 -7.898 -13.849 -3.102 1.00 0.00 O ATOM 388 CB ASP A 26 -5.222 -12.685 -4.229 1.00 0.00 C ATOM 389 CG ASP A 26 -4.991 -13.903 -3.360 1.00 0.00 C ATOM 390 OD1 ASP A 26 -4.805 -15.011 -3.914 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.997 -13.754 -2.118 1.00 0.00 O ATOM 0 H ASP A 26 -6.146 -10.578 -5.096 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.854 -13.353 -5.474 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.543 -12.721 -5.081 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.973 -11.789 -3.660 1.00 0.00 H new ATOM 396 N GLY A 27 -8.244 -11.640 -3.167 1.00 0.00 N ATOM 397 CA GLY A 27 -9.142 -11.660 -2.032 1.00 0.00 C ATOM 398 C GLY A 27 -8.475 -11.106 -0.799 1.00 0.00 C ATOM 399 O GLY A 27 -9.125 -10.826 0.212 1.00 0.00 O ATOM 0 H GLY A 27 -8.122 -10.723 -3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.033 -11.076 -2.260 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.470 -12.682 -1.843 1.00 0.00 H new ATOM 403 N SER A 28 -7.169 -10.935 -0.883 1.00 0.00 N ATOM 404 CA SER A 28 -6.389 -10.402 0.202 1.00 0.00 C ATOM 405 C SER A 28 -6.541 -8.886 0.261 1.00 0.00 C ATOM 406 O SER A 28 -6.215 -8.177 -0.697 1.00 0.00 O ATOM 407 CB SER A 28 -4.916 -10.785 0.018 1.00 0.00 C ATOM 408 OG SER A 28 -4.741 -12.202 0.044 1.00 0.00 O ATOM 0 H SER A 28 -6.623 -11.165 -1.713 1.00 0.00 H new ATOM 0 HA SER A 28 -6.748 -10.822 1.141 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.551 -10.389 -0.929 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.318 -10.328 0.807 1.00 0.00 H new ATOM 0 HG SER A 28 -4.740 -12.548 -0.873 1.00 0.00 H new ATOM 414 N VAL A 29 -7.059 -8.385 1.360 1.00 0.00 N ATOM 415 CA VAL A 29 -7.245 -6.961 1.525 1.00 0.00 C ATOM 416 C VAL A 29 -6.941 -6.527 2.965 1.00 0.00 C ATOM 417 O VAL A 29 -7.316 -7.199 3.927 1.00 0.00 O ATOM 418 CB VAL A 29 -8.674 -6.515 1.084 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.741 -7.376 1.712 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.921 -5.053 1.391 1.00 0.00 C ATOM 0 H VAL A 29 -7.360 -8.946 2.157 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.533 -6.458 0.870 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.728 -6.645 0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.723 -7.037 1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.596 -8.413 1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.677 -7.301 2.798 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.926 -4.779 1.070 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.824 -4.885 2.464 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.191 -4.441 0.861 1.00 0.00 H new ATOM 430 N VAL A 30 -6.249 -5.399 3.103 1.00 0.00 N ATOM 431 CA VAL A 30 -5.819 -4.885 4.407 1.00 0.00 C ATOM 432 C VAL A 30 -5.918 -3.358 4.409 1.00 0.00 C ATOM 433 O VAL A 30 -5.796 -2.720 3.362 1.00 0.00 O ATOM 434 CB VAL A 30 -4.345 -5.295 4.740 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.973 -4.896 6.161 1.00 0.00 C ATOM 436 CG2 VAL A 30 -4.122 -6.788 4.542 1.00 0.00 C ATOM 0 H VAL A 30 -5.969 -4.813 2.316 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.473 -5.317 5.164 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.698 -4.758 4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.944 -5.193 6.365 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.068 -3.816 6.272 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.640 -5.393 6.865 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.088 -7.036 4.782 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.791 -7.346 5.197 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.327 -7.052 3.504 1.00 0.00 H new ATOM 446 N GLN A 31 -6.151 -2.771 5.571 1.00 0.00 N ATOM 447 CA GLN A 31 -6.260 -1.327 5.685 1.00 0.00 C ATOM 448 C GLN A 31 -5.052 -0.758 6.442 1.00 0.00 C ATOM 449 O GLN A 31 -4.566 -1.360 7.404 1.00 0.00 O ATOM 450 CB GLN A 31 -7.584 -0.951 6.363 1.00 0.00 C ATOM 451 CG GLN A 31 -7.836 0.547 6.457 1.00 0.00 C ATOM 452 CD GLN A 31 -7.217 1.185 7.696 1.00 0.00 C ATOM 453 OE1 GLN A 31 -6.779 2.323 7.661 1.00 0.00 O ATOM 454 NE2 GLN A 31 -7.210 0.465 8.804 1.00 0.00 N ATOM 0 H GLN A 31 -6.269 -3.274 6.451 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.259 -0.887 4.688 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.404 -1.412 5.813 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.597 -1.374 7.368 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.435 1.033 5.568 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.911 0.728 6.462 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.584 -0.484 8.798 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.830 0.858 9.665 1.00 0.00 H new ATOM 463 N PHE A 32 -4.563 0.398 5.998 1.00 0.00 N ATOM 464 CA PHE A 32 -3.372 1.023 6.589 1.00 0.00 C ATOM 465 C PHE A 32 -3.583 2.522 6.789 1.00 0.00 C ATOM 466 O PHE A 32 -4.264 3.173 6.008 1.00 0.00 O ATOM 467 CB PHE A 32 -2.153 0.835 5.668 1.00 0.00 C ATOM 468 CG PHE A 32 -1.942 -0.566 5.177 1.00 0.00 C ATOM 469 CD1 PHE A 32 -2.679 -1.051 4.111 1.00 0.00 C ATOM 470 CD2 PHE A 32 -1.008 -1.392 5.771 1.00 0.00 C ATOM 471 CE1 PHE A 32 -2.495 -2.328 3.651 1.00 0.00 C ATOM 472 CE2 PHE A 32 -0.817 -2.678 5.310 1.00 0.00 C ATOM 473 CZ PHE A 32 -1.561 -3.145 4.249 1.00 0.00 C ATOM 0 H PHE A 32 -4.972 0.926 5.227 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.198 0.542 7.552 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.262 1.494 4.806 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.259 1.155 6.203 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.410 -0.414 3.635 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.423 -1.028 6.603 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.081 -2.694 2.821 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.085 -3.318 5.780 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.412 -4.151 3.886 1.00 0.00 H new ATOM 483 N LYS A 33 -2.985 3.069 7.824 1.00 0.00 N ATOM 484 CA LYS A 33 -3.057 4.496 8.080 1.00 0.00 C ATOM 485 C LYS A 33 -1.677 5.134 7.961 1.00 0.00 C ATOM 486 O LYS A 33 -0.795 4.906 8.796 1.00 0.00 O ATOM 487 CB LYS A 33 -3.660 4.779 9.460 1.00 0.00 C ATOM 488 CG LYS A 33 -5.178 4.751 9.481 1.00 0.00 C ATOM 489 CD LYS A 33 -5.738 5.047 10.867 1.00 0.00 C ATOM 490 CE LYS A 33 -5.447 3.926 11.853 1.00 0.00 C ATOM 491 NZ LYS A 33 -6.121 2.666 11.470 1.00 0.00 N ATOM 0 H LYS A 33 -2.439 2.545 8.508 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.710 4.938 7.328 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.282 4.043 10.170 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.319 5.756 9.802 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.563 5.483 8.771 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.527 3.772 9.151 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.309 5.977 11.240 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.815 5.198 10.798 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.371 3.760 11.907 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.774 4.225 12.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.129 2.016 12.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.099 2.870 11.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.610 2.226 10.679 1.00 0.00 H new ATOM 505 N ILE A 34 -1.485 5.920 6.914 1.00 0.00 N ATOM 506 CA ILE A 34 -0.221 6.616 6.688 1.00 0.00 C ATOM 507 C ILE A 34 -0.482 8.103 6.554 1.00 0.00 C ATOM 508 O ILE A 34 -1.628 8.547 6.608 1.00 0.00 O ATOM 509 CB ILE A 34 0.516 6.114 5.418 1.00 0.00 C ATOM 510 CG1 ILE A 34 -0.357 6.300 4.173 1.00 0.00 C ATOM 511 CG2 ILE A 34 0.932 4.655 5.576 1.00 0.00 C ATOM 512 CD1 ILE A 34 0.365 6.016 2.871 1.00 0.00 C ATOM 0 H ILE A 34 -2.192 6.095 6.200 1.00 0.00 H new ATOM 0 HA ILE A 34 0.420 6.410 7.545 1.00 0.00 H new ATOM 0 HB ILE A 34 1.418 6.712 5.290 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.224 5.644 4.247 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.732 7.323 4.154 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.447 4.324 4.674 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.600 4.558 6.432 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.047 4.039 5.735 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.318 6.169 2.035 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.216 6.690 2.772 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.717 4.984 2.868 1.00 0.00 H new ATOM 524 N LYS A 35 0.551 8.886 6.378 1.00 0.00 N ATOM 525 CA LYS A 35 0.358 10.298 6.259 1.00 0.00 C ATOM 526 C LYS A 35 0.144 10.713 4.802 1.00 0.00 C ATOM 527 O LYS A 35 0.526 10.002 3.879 1.00 0.00 O ATOM 528 CB LYS A 35 1.509 11.072 6.869 1.00 0.00 C ATOM 529 CG LYS A 35 1.051 12.357 7.507 1.00 0.00 C ATOM 530 CD LYS A 35 2.149 13.371 7.580 1.00 0.00 C ATOM 531 CE LYS A 35 1.652 14.674 8.205 1.00 0.00 C ATOM 532 NZ LYS A 35 2.750 15.643 8.446 1.00 0.00 N ATOM 0 H LYS A 35 1.519 8.571 6.315 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.545 10.544 6.817 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.006 10.453 7.616 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.246 11.293 6.097 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.217 12.767 6.938 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.681 12.151 8.511 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.977 12.974 8.168 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.534 13.567 6.579 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.909 15.128 7.549 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.153 14.454 9.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.367 16.496 8.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.465 15.211 9.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.189 15.902 7.540 1.00 0.00 H new ATOM 546 N ARG A 36 -0.456 11.883 4.612 1.00 0.00 N ATOM 547 CA ARG A 36 -0.765 12.428 3.285 1.00 0.00 C ATOM 548 C ARG A 36 0.506 12.675 2.457 1.00 0.00 C ATOM 549 O ARG A 36 0.471 12.679 1.231 1.00 0.00 O ATOM 550 CB ARG A 36 -1.560 13.741 3.444 1.00 0.00 C ATOM 551 CG ARG A 36 -1.920 14.439 2.137 1.00 0.00 C ATOM 552 CD ARG A 36 -2.981 13.683 1.360 1.00 0.00 C ATOM 553 NE ARG A 36 -4.271 13.666 2.056 1.00 0.00 N ATOM 554 CZ ARG A 36 -5.459 13.584 1.441 1.00 0.00 C ATOM 555 NH1 ARG A 36 -5.529 13.580 0.119 1.00 0.00 N ATOM 556 NH2 ARG A 36 -6.579 13.529 2.154 1.00 0.00 N ATOM 0 H ARG A 36 -0.746 12.489 5.379 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.364 11.693 2.747 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.479 13.528 3.990 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.978 14.429 4.057 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.277 15.446 2.351 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.025 14.541 1.523 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.106 14.141 0.379 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.646 12.659 1.194 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.264 13.720 3.075 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.676 13.640 -0.437 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.436 13.517 -0.343 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.536 13.549 3.173 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.481 13.467 1.682 1.00 0.00 H new ATOM 570 N HIS A 37 1.636 12.859 3.127 1.00 0.00 N ATOM 571 CA HIS A 37 2.888 13.138 2.429 1.00 0.00 C ATOM 572 C HIS A 37 3.781 11.901 2.452 1.00 0.00 C ATOM 573 O HIS A 37 4.871 11.885 1.889 1.00 0.00 O ATOM 574 CB HIS A 37 3.611 14.330 3.078 1.00 0.00 C ATOM 575 CG HIS A 37 4.697 14.932 2.225 1.00 0.00 C ATOM 576 ND1 HIS A 37 6.027 14.571 2.318 1.00 0.00 N ATOM 577 CD2 HIS A 37 4.639 15.883 1.262 1.00 0.00 C ATOM 578 CE1 HIS A 37 6.733 15.275 1.454 1.00 0.00 C ATOM 579 NE2 HIS A 37 5.915 16.074 0.802 1.00 0.00 N ATOM 0 H HIS A 37 1.714 12.821 4.143 1.00 0.00 H new ATOM 0 HA HIS A 37 2.664 13.394 1.394 1.00 0.00 H new ATOM 0 HB2 HIS A 37 2.878 15.102 3.311 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.045 14.006 4.024 1.00 0.00 H new ATOM 0 HD2 HIS A 37 3.752 16.395 0.920 1.00 0.00 H new ATOM 0 HE1 HIS A 37 7.801 15.207 1.307 1.00 0.00 H new ATOM 0 HE2 HIS A 37 6.188 16.731 0.071 1.00 0.00 H new ATOM 588 N THR A 38 3.301 10.862 3.104 1.00 0.00 N ATOM 589 CA THR A 38 4.031 9.621 3.218 1.00 0.00 C ATOM 590 C THR A 38 3.806 8.749 1.985 1.00 0.00 C ATOM 591 O THR A 38 2.676 8.567 1.556 1.00 0.00 O ATOM 592 CB THR A 38 3.596 8.864 4.486 1.00 0.00 C ATOM 593 OG1 THR A 38 4.040 9.583 5.647 1.00 0.00 O ATOM 594 CG2 THR A 38 4.152 7.453 4.505 1.00 0.00 C ATOM 0 H THR A 38 2.393 10.856 3.569 1.00 0.00 H new ATOM 0 HA THR A 38 5.094 9.852 3.289 1.00 0.00 H new ATOM 0 HB THR A 38 2.508 8.793 4.489 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.762 9.103 6.455 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.826 6.946 5.413 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.789 6.907 3.634 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.241 7.491 4.481 1.00 0.00 H new ATOM 602 N PRO A 39 4.886 8.205 1.401 1.00 0.00 N ATOM 603 CA PRO A 39 4.797 7.366 0.207 1.00 0.00 C ATOM 604 C PRO A 39 4.065 6.054 0.471 1.00 0.00 C ATOM 605 O PRO A 39 4.101 5.505 1.583 1.00 0.00 O ATOM 606 CB PRO A 39 6.260 7.102 -0.163 1.00 0.00 C ATOM 607 CG PRO A 39 7.008 7.292 1.107 1.00 0.00 C ATOM 608 CD PRO A 39 6.274 8.358 1.865 1.00 0.00 C ATOM 0 HA PRO A 39 4.229 7.852 -0.586 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.394 6.094 -0.555 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.605 7.792 -0.933 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.048 6.365 1.678 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.038 7.591 0.912 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.356 8.215 2.942 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.665 9.351 1.644 1.00 0.00 H new ATOM 616 N LEU A 40 3.408 5.547 -0.555 1.00 0.00 N ATOM 617 CA LEU A 40 2.627 4.326 -0.465 1.00 0.00 C ATOM 618 C LEU A 40 3.500 3.108 -0.192 1.00 0.00 C ATOM 619 O LEU A 40 3.001 2.051 0.191 1.00 0.00 O ATOM 620 CB LEU A 40 1.825 4.116 -1.740 1.00 0.00 C ATOM 621 CG LEU A 40 0.902 5.272 -2.147 1.00 0.00 C ATOM 622 CD1 LEU A 40 0.054 4.882 -3.333 1.00 0.00 C ATOM 623 CD2 LEU A 40 0.023 5.706 -0.983 1.00 0.00 C ATOM 0 H LEU A 40 3.401 5.973 -1.482 1.00 0.00 H new ATOM 0 HA LEU A 40 1.945 4.439 0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.521 3.927 -2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.220 3.217 -1.622 1.00 0.00 H new ATOM 0 HG LEU A 40 1.528 6.118 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.594 5.715 -3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.699 4.632 -4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.557 4.017 -3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.621 6.527 -1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.592 4.866 -0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.651 6.036 -0.156 1.00 0.00 H new ATOM 635 N SER A 41 4.802 3.255 -0.393 1.00 0.00 N ATOM 636 CA SER A 41 5.762 2.178 -0.201 1.00 0.00 C ATOM 637 C SER A 41 5.580 1.484 1.144 1.00 0.00 C ATOM 638 O SER A 41 5.679 0.255 1.239 1.00 0.00 O ATOM 639 CB SER A 41 7.167 2.744 -0.302 1.00 0.00 C ATOM 640 OG SER A 41 7.307 3.877 0.540 1.00 0.00 O ATOM 0 H SER A 41 5.225 4.132 -0.696 1.00 0.00 H new ATOM 0 HA SER A 41 5.596 1.431 -0.978 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.894 1.982 -0.020 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.380 3.022 -1.334 1.00 0.00 H new ATOM 0 HG SER A 41 8.218 4.230 0.465 1.00 0.00 H new ATOM 646 N LYS A 42 5.302 2.268 2.184 1.00 0.00 N ATOM 647 CA LYS A 42 5.090 1.723 3.522 1.00 0.00 C ATOM 648 C LYS A 42 3.994 0.670 3.519 1.00 0.00 C ATOM 649 O LYS A 42 4.205 -0.457 3.954 1.00 0.00 O ATOM 650 CB LYS A 42 4.728 2.845 4.502 1.00 0.00 C ATOM 651 CG LYS A 42 5.880 3.783 4.869 1.00 0.00 C ATOM 652 CD LYS A 42 6.893 3.103 5.792 1.00 0.00 C ATOM 653 CE LYS A 42 8.099 2.564 5.030 1.00 0.00 C ATOM 654 NZ LYS A 42 8.972 3.655 4.534 1.00 0.00 N ATOM 0 H LYS A 42 5.218 3.283 2.125 1.00 0.00 H new ATOM 0 HA LYS A 42 6.019 1.251 3.841 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.921 3.437 4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.340 2.396 5.416 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.382 4.115 3.960 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.483 4.673 5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.230 3.815 6.545 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.406 2.285 6.323 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.675 1.906 5.680 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.757 1.961 4.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.892 3.262 4.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.524 4.112 3.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.113 4.357 5.288 1.00 0.00 H new ATOM 668 N LEU A 43 2.835 1.024 2.994 1.00 0.00 N ATOM 669 CA LEU A 43 1.720 0.095 2.953 1.00 0.00 C ATOM 670 C LEU A 43 1.918 -0.973 1.894 1.00 0.00 C ATOM 671 O LEU A 43 1.466 -2.098 2.055 1.00 0.00 O ATOM 672 CB LEU A 43 0.364 0.820 2.791 1.00 0.00 C ATOM 673 CG LEU A 43 0.162 1.709 1.549 1.00 0.00 C ATOM 674 CD1 LEU A 43 -0.085 0.879 0.297 1.00 0.00 C ATOM 675 CD2 LEU A 43 -0.996 2.643 1.779 1.00 0.00 C ATOM 0 H LEU A 43 2.642 1.942 2.593 1.00 0.00 H new ATOM 0 HA LEU A 43 1.693 -0.410 3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.421 0.064 2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.210 1.440 3.674 1.00 0.00 H new ATOM 0 HG LEU A 43 1.076 2.282 1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.223 1.542 -0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.771 0.228 0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.980 0.272 0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.137 3.271 0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.901 2.063 1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.789 3.272 2.645 1.00 0.00 H new ATOM 687 N MET A 44 2.594 -0.622 0.803 1.00 0.00 N ATOM 688 CA MET A 44 2.824 -1.565 -0.284 1.00 0.00 C ATOM 689 C MET A 44 3.600 -2.780 0.186 1.00 0.00 C ATOM 690 O MET A 44 3.140 -3.918 0.055 1.00 0.00 O ATOM 691 CB MET A 44 3.593 -0.901 -1.410 1.00 0.00 C ATOM 692 CG MET A 44 2.775 0.029 -2.267 1.00 0.00 C ATOM 693 SD MET A 44 3.723 0.657 -3.651 1.00 0.00 S ATOM 694 CE MET A 44 2.497 1.668 -4.462 1.00 0.00 C ATOM 0 H MET A 44 2.990 0.305 0.650 1.00 0.00 H new ATOM 0 HA MET A 44 1.846 -1.887 -0.640 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.426 -0.342 -0.983 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.022 -1.676 -2.045 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.895 -0.496 -2.637 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.418 0.862 -1.662 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.563 1.525 -5.541 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.503 1.381 -4.118 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.675 2.717 -4.224 1.00 0.00 H new ATOM 704 N LYS A 45 4.770 -2.548 0.757 1.00 0.00 N ATOM 705 CA LYS A 45 5.585 -3.627 1.249 1.00 0.00 C ATOM 706 C LYS A 45 4.917 -4.300 2.434 1.00 0.00 C ATOM 707 O LYS A 45 4.926 -5.517 2.550 1.00 0.00 O ATOM 708 CB LYS A 45 6.985 -3.135 1.634 1.00 0.00 C ATOM 709 CG LYS A 45 7.929 -2.895 0.456 1.00 0.00 C ATOM 710 CD LYS A 45 7.428 -1.817 -0.486 1.00 0.00 C ATOM 711 CE LYS A 45 8.479 -1.443 -1.521 1.00 0.00 C ATOM 712 NZ LYS A 45 8.920 -2.597 -2.341 1.00 0.00 N ATOM 0 H LYS A 45 5.170 -1.619 0.888 1.00 0.00 H new ATOM 0 HA LYS A 45 5.694 -4.357 0.447 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.886 -2.207 2.197 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.440 -3.866 2.302 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.911 -2.613 0.835 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.056 -3.825 -0.098 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.527 -2.165 -0.991 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.151 -0.932 0.087 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.077 -0.671 -2.177 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.343 -1.013 -1.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.717 -2.310 -2.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.221 -3.372 -1.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.132 -2.920 -2.938 1.00 0.00 H new ATOM 726 N ALA A 46 4.306 -3.504 3.305 1.00 0.00 N ATOM 727 CA ALA A 46 3.622 -4.038 4.480 1.00 0.00 C ATOM 728 C ALA A 46 2.531 -5.015 4.066 1.00 0.00 C ATOM 729 O ALA A 46 2.412 -6.111 4.621 1.00 0.00 O ATOM 730 CB ALA A 46 3.032 -2.912 5.311 1.00 0.00 C ATOM 0 H ALA A 46 4.270 -2.488 3.221 1.00 0.00 H new ATOM 0 HA ALA A 46 4.353 -4.572 5.087 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.526 -3.329 6.182 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.830 -2.245 5.639 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.316 -2.352 4.709 1.00 0.00 H new ATOM 736 N TYR A 47 1.736 -4.613 3.082 1.00 0.00 N ATOM 737 CA TYR A 47 0.669 -5.448 2.554 1.00 0.00 C ATOM 738 C TYR A 47 1.214 -6.779 2.037 1.00 0.00 C ATOM 739 O TYR A 47 0.736 -7.841 2.429 1.00 0.00 O ATOM 740 CB TYR A 47 -0.113 -4.715 1.442 1.00 0.00 C ATOM 741 CG TYR A 47 -1.068 -5.608 0.661 1.00 0.00 C ATOM 742 CD1 TYR A 47 -2.382 -5.791 1.077 1.00 0.00 C ATOM 743 CD2 TYR A 47 -0.648 -6.270 -0.491 1.00 0.00 C ATOM 744 CE1 TYR A 47 -3.248 -6.606 0.369 1.00 0.00 C ATOM 745 CE2 TYR A 47 -1.503 -7.084 -1.202 1.00 0.00 C ATOM 746 CZ TYR A 47 -2.801 -7.251 -0.770 1.00 0.00 C ATOM 747 OH TYR A 47 -3.653 -8.063 -1.478 1.00 0.00 O ATOM 0 H TYR A 47 1.814 -3.702 2.630 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.019 -5.658 3.373 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.680 -3.898 1.889 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.598 -4.267 0.748 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.732 -5.289 1.967 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.368 -6.143 -0.834 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.266 -6.738 0.704 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.158 -7.588 -2.093 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.580 -7.839 -1.254 1.00 0.00 H new ATOM 757 N CYS A 48 2.227 -6.732 1.174 1.00 0.00 N ATOM 758 CA CYS A 48 2.780 -7.955 0.600 1.00 0.00 C ATOM 759 C CYS A 48 3.354 -8.862 1.688 1.00 0.00 C ATOM 760 O CYS A 48 3.230 -10.075 1.627 1.00 0.00 O ATOM 761 CB CYS A 48 3.847 -7.648 -0.461 1.00 0.00 C ATOM 762 SG CYS A 48 5.455 -7.132 0.193 1.00 0.00 S ATOM 0 H CYS A 48 2.676 -5.872 0.860 1.00 0.00 H new ATOM 0 HA CYS A 48 1.961 -8.481 0.109 1.00 0.00 H new ATOM 0 HB2 CYS A 48 3.991 -8.536 -1.077 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.470 -6.863 -1.116 1.00 0.00 H new ATOM 0 HG CYS A 48 5.278 -6.402 1.254 1.00 0.00 H new ATOM 768 N GLU A 49 3.957 -8.263 2.697 1.00 0.00 N ATOM 769 CA GLU A 49 4.553 -9.000 3.794 1.00 0.00 C ATOM 770 C GLU A 49 3.508 -9.759 4.601 1.00 0.00 C ATOM 771 O GLU A 49 3.664 -10.945 4.880 1.00 0.00 O ATOM 772 CB GLU A 49 5.304 -8.037 4.695 1.00 0.00 C ATOM 773 CG GLU A 49 6.555 -7.486 4.061 1.00 0.00 C ATOM 774 CD GLU A 49 7.654 -8.514 3.979 1.00 0.00 C ATOM 775 OE1 GLU A 49 8.439 -8.617 4.941 1.00 0.00 O ATOM 776 OE2 GLU A 49 7.729 -9.234 2.960 1.00 0.00 O ATOM 0 H GLU A 49 4.047 -7.250 2.779 1.00 0.00 H new ATOM 0 HA GLU A 49 5.240 -9.735 3.375 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.645 -7.211 4.962 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.568 -8.547 5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.323 -7.124 3.059 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.904 -6.629 4.637 1.00 0.00 H new ATOM 783 N ARG A 50 2.435 -9.082 4.960 1.00 0.00 N ATOM 784 CA ARG A 50 1.398 -9.677 5.780 1.00 0.00 C ATOM 785 C ARG A 50 0.490 -10.590 4.961 1.00 0.00 C ATOM 786 O ARG A 50 -0.130 -11.502 5.495 1.00 0.00 O ATOM 787 CB ARG A 50 0.581 -8.577 6.472 1.00 0.00 C ATOM 788 CG ARG A 50 -0.053 -7.588 5.508 1.00 0.00 C ATOM 789 CD ARG A 50 -0.570 -6.356 6.225 1.00 0.00 C ATOM 790 NE ARG A 50 0.496 -5.618 6.910 1.00 0.00 N ATOM 791 CZ ARG A 50 0.284 -4.678 7.841 1.00 0.00 C ATOM 792 NH1 ARG A 50 -0.948 -4.431 8.271 1.00 0.00 N ATOM 793 NH2 ARG A 50 1.303 -4.008 8.357 1.00 0.00 N ATOM 0 H ARG A 50 2.258 -8.113 4.695 1.00 0.00 H new ATOM 0 HA ARG A 50 1.878 -10.294 6.540 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.203 -9.041 7.070 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.229 -8.035 7.161 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.680 -7.291 4.758 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.874 -8.072 4.978 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.058 -5.699 5.506 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.327 -6.653 6.951 1.00 0.00 H new ATOM 0 HE ARG A 50 1.461 -5.834 6.662 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.735 -4.957 7.892 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.107 -3.715 8.980 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.254 -4.207 8.046 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.137 -3.293 9.065 1.00 0.00 H new ATOM 807 N GLN A 51 0.403 -10.346 3.662 1.00 0.00 N ATOM 808 CA GLN A 51 -0.462 -11.146 2.806 1.00 0.00 C ATOM 809 C GLN A 51 0.295 -12.256 2.097 1.00 0.00 C ATOM 810 O GLN A 51 -0.304 -13.118 1.462 1.00 0.00 O ATOM 811 CB GLN A 51 -1.201 -10.264 1.802 1.00 0.00 C ATOM 812 CG GLN A 51 -2.184 -9.310 2.457 1.00 0.00 C ATOM 813 CD GLN A 51 -3.090 -10.013 3.448 1.00 0.00 C ATOM 814 OE1 GLN A 51 -4.178 -10.480 3.102 1.00 0.00 O ATOM 815 NE2 GLN A 51 -2.643 -10.102 4.682 1.00 0.00 N ATOM 0 H GLN A 51 0.916 -9.607 3.180 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.197 -11.624 3.454 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.474 -9.689 1.228 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.736 -10.898 1.095 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.635 -8.519 2.967 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.791 -8.832 1.688 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.737 -9.702 4.926 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.202 -10.571 5.394 1.00 0.00 H new ATOM 824 N GLY A 52 1.606 -12.255 2.215 1.00 0.00 N ATOM 825 CA GLY A 52 2.408 -13.275 1.562 1.00 0.00 C ATOM 826 C GLY A 52 2.522 -13.069 0.057 1.00 0.00 C ATOM 827 O GLY A 52 2.381 -14.010 -0.723 1.00 0.00 O ATOM 0 H GLY A 52 2.137 -11.568 2.750 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.406 -13.280 1.999 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.970 -14.254 1.757 1.00 0.00 H new ATOM 831 N LEU A 53 2.791 -11.846 -0.353 1.00 0.00 N ATOM 832 CA LEU A 53 2.927 -11.512 -1.767 1.00 0.00 C ATOM 833 C LEU A 53 4.317 -10.955 -2.054 1.00 0.00 C ATOM 834 O LEU A 53 5.019 -10.503 -1.147 1.00 0.00 O ATOM 835 CB LEU A 53 1.863 -10.484 -2.206 1.00 0.00 C ATOM 836 CG LEU A 53 0.472 -11.023 -2.596 1.00 0.00 C ATOM 837 CD1 LEU A 53 0.575 -12.170 -3.583 1.00 0.00 C ATOM 838 CD2 LEU A 53 -0.330 -11.429 -1.379 1.00 0.00 C ATOM 0 H LEU A 53 2.922 -11.055 0.277 1.00 0.00 H new ATOM 0 HA LEU A 53 2.779 -12.431 -2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.731 -9.769 -1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.260 -9.931 -3.057 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.059 -10.208 -3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.425 -12.524 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.077 -11.827 -4.488 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.147 -12.984 -3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.304 -11.804 -1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.202 -12.211 -0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.466 -10.565 -0.728 1.00 0.00 H new ATOM 850 N SER A 54 4.718 -10.996 -3.313 1.00 0.00 N ATOM 851 CA SER A 54 6.001 -10.468 -3.731 1.00 0.00 C ATOM 852 C SER A 54 5.821 -9.144 -4.488 1.00 0.00 C ATOM 853 O SER A 54 5.088 -9.082 -5.473 1.00 0.00 O ATOM 854 CB SER A 54 6.712 -11.493 -4.604 1.00 0.00 C ATOM 855 OG SER A 54 7.122 -12.620 -3.840 1.00 0.00 O ATOM 0 H SER A 54 4.164 -11.395 -4.071 1.00 0.00 H new ATOM 0 HA SER A 54 6.609 -10.269 -2.848 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.048 -11.816 -5.406 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.581 -11.034 -5.075 1.00 0.00 H new ATOM 0 HG SER A 54 7.574 -13.264 -4.424 1.00 0.00 H new ATOM 861 N MET A 55 6.522 -8.097 -4.040 1.00 0.00 N ATOM 862 CA MET A 55 6.393 -6.740 -4.614 1.00 0.00 C ATOM 863 C MET A 55 6.685 -6.680 -6.115 1.00 0.00 C ATOM 864 O MET A 55 6.169 -5.817 -6.817 1.00 0.00 O ATOM 865 CB MET A 55 7.295 -5.736 -3.873 1.00 0.00 C ATOM 866 CG MET A 55 6.854 -5.435 -2.453 1.00 0.00 C ATOM 867 SD MET A 55 5.116 -4.959 -2.361 1.00 0.00 S ATOM 868 CE MET A 55 5.127 -3.428 -3.276 1.00 0.00 C ATOM 0 H MET A 55 7.193 -8.158 -3.274 1.00 0.00 H new ATOM 0 HA MET A 55 5.347 -6.466 -4.479 1.00 0.00 H new ATOM 0 HB2 MET A 55 8.312 -6.126 -3.851 1.00 0.00 H new ATOM 0 HB3 MET A 55 7.323 -4.804 -4.438 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.021 -6.313 -1.829 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.470 -4.633 -2.046 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.107 -3.060 -3.381 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.726 -2.690 -2.743 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.555 -3.598 -4.264 1.00 0.00 H new ATOM 878 N ARG A 56 7.520 -7.576 -6.612 1.00 0.00 N ATOM 879 CA ARG A 56 7.862 -7.570 -8.037 1.00 0.00 C ATOM 880 C ARG A 56 6.828 -8.327 -8.842 1.00 0.00 C ATOM 881 O ARG A 56 6.588 -8.033 -10.002 1.00 0.00 O ATOM 882 CB ARG A 56 9.251 -8.165 -8.293 1.00 0.00 C ATOM 883 CG ARG A 56 10.352 -7.544 -7.460 1.00 0.00 C ATOM 884 CD ARG A 56 10.563 -8.313 -6.175 1.00 0.00 C ATOM 885 NE ARG A 56 11.230 -9.588 -6.408 1.00 0.00 N ATOM 886 CZ ARG A 56 12.158 -10.109 -5.605 1.00 0.00 C ATOM 887 NH1 ARG A 56 12.576 -9.439 -4.534 1.00 0.00 N ATOM 888 NH2 ARG A 56 12.678 -11.298 -5.883 1.00 0.00 N ATOM 0 H ARG A 56 7.972 -8.309 -6.066 1.00 0.00 H new ATOM 0 HA ARG A 56 7.874 -6.528 -8.356 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.218 -9.236 -8.093 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.497 -8.046 -9.348 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.279 -7.526 -8.033 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.099 -6.509 -7.231 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.157 -7.713 -5.486 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.600 -8.489 -5.695 1.00 0.00 H new ATOM 0 HE ARG A 56 10.969 -10.117 -7.241 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.186 -8.520 -4.323 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.286 -9.844 -3.924 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.367 -11.810 -6.709 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.388 -11.700 -5.271 1.00 0.00 H new ATOM 902 N GLN A 57 6.200 -9.300 -8.206 1.00 0.00 N ATOM 903 CA GLN A 57 5.227 -10.143 -8.873 1.00 0.00 C ATOM 904 C GLN A 57 3.870 -9.470 -8.900 1.00 0.00 C ATOM 905 O GLN A 57 3.097 -9.621 -9.849 1.00 0.00 O ATOM 906 CB GLN A 57 5.114 -11.507 -8.180 1.00 0.00 C ATOM 907 CG GLN A 57 6.108 -12.576 -8.653 1.00 0.00 C ATOM 908 CD GLN A 57 7.450 -12.555 -7.931 1.00 0.00 C ATOM 909 OE1 GLN A 57 7.981 -11.384 -7.686 1.00 0.00 O flip ATOM 910 NE2 GLN A 57 8.030 -13.603 -7.652 1.00 0.00 N flip ATOM 0 H GLN A 57 6.349 -9.526 -7.222 1.00 0.00 H new ATOM 0 HA GLN A 57 5.568 -10.299 -9.896 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.247 -11.362 -7.108 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.103 -11.886 -8.327 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.655 -13.559 -8.522 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.282 -12.445 -9.721 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.589 -14.500 -7.856 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.952 -13.575 -7.217 1.00 0.00 H new ATOM 919 N ILE A 58 3.572 -8.726 -7.857 1.00 0.00 N ATOM 920 CA ILE A 58 2.308 -8.032 -7.764 1.00 0.00 C ATOM 921 C ILE A 58 2.439 -6.623 -8.307 1.00 0.00 C ATOM 922 O ILE A 58 3.545 -6.120 -8.504 1.00 0.00 O ATOM 923 CB ILE A 58 1.803 -7.966 -6.304 1.00 0.00 C ATOM 924 CG1 ILE A 58 2.652 -6.996 -5.475 1.00 0.00 C ATOM 925 CG2 ILE A 58 1.840 -9.350 -5.685 1.00 0.00 C ATOM 926 CD1 ILE A 58 2.158 -6.819 -4.058 1.00 0.00 C ATOM 0 H ILE A 58 4.191 -8.586 -7.059 1.00 0.00 H new ATOM 0 HA ILE A 58 1.586 -8.592 -8.358 1.00 0.00 H new ATOM 0 HB ILE A 58 0.776 -7.600 -6.310 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.680 -7.356 -5.450 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.667 -6.025 -5.970 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.483 -9.298 -4.656 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.200 -10.022 -6.257 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.863 -9.726 -5.696 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.807 -6.119 -3.531 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.140 -6.429 -4.074 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.170 -7.781 -3.546 1.00 0.00 H new ATOM 938 N ARG A 59 1.323 -5.980 -8.554 1.00 0.00 N ATOM 939 CA ARG A 59 1.339 -4.628 -9.044 1.00 0.00 C ATOM 940 C ARG A 59 0.192 -3.839 -8.440 1.00 0.00 C ATOM 941 O ARG A 59 -0.959 -4.285 -8.450 1.00 0.00 O ATOM 942 CB ARG A 59 1.281 -4.591 -10.579 1.00 0.00 C ATOM 943 CG ARG A 59 1.663 -3.234 -11.177 1.00 0.00 C ATOM 944 CD ARG A 59 3.086 -2.835 -10.781 1.00 0.00 C ATOM 945 NE ARG A 59 3.468 -1.516 -11.299 1.00 0.00 N ATOM 946 CZ ARG A 59 4.271 -0.651 -10.658 1.00 0.00 C ATOM 947 NH1 ARG A 59 4.822 -0.983 -9.489 1.00 0.00 N ATOM 948 NH2 ARG A 59 4.535 0.535 -11.206 1.00 0.00 N ATOM 0 H ARG A 59 0.392 -6.375 -8.422 1.00 0.00 H new ATOM 0 HA ARG A 59 2.278 -4.166 -8.740 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.949 -5.355 -10.977 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.273 -4.850 -10.902 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.584 -3.277 -12.263 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.961 -2.473 -10.836 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.169 -2.832 -9.694 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.786 -3.584 -11.152 1.00 0.00 H new ATOM 0 HE ARG A 59 3.098 -1.237 -12.208 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.634 -1.897 -9.078 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.431 -0.322 -9.006 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.128 0.782 -12.108 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.144 1.196 -10.723 1.00 0.00 H new ATOM 962 N PHE A 60 0.508 -2.686 -7.879 1.00 0.00 N ATOM 963 CA PHE A 60 -0.489 -1.816 -7.283 1.00 0.00 C ATOM 964 C PHE A 60 -1.076 -0.892 -8.342 1.00 0.00 C ATOM 965 O PHE A 60 -0.360 -0.380 -9.207 1.00 0.00 O ATOM 966 CB PHE A 60 0.128 -0.991 -6.145 1.00 0.00 C ATOM 967 CG PHE A 60 0.208 -1.707 -4.816 1.00 0.00 C ATOM 968 CD1 PHE A 60 0.875 -2.915 -4.690 1.00 0.00 C ATOM 969 CD2 PHE A 60 -0.388 -1.158 -3.690 1.00 0.00 C ATOM 970 CE1 PHE A 60 0.940 -3.560 -3.468 1.00 0.00 C ATOM 971 CE2 PHE A 60 -0.325 -1.797 -2.471 1.00 0.00 C ATOM 972 CZ PHE A 60 0.338 -3.000 -2.358 1.00 0.00 C ATOM 0 H PHE A 60 1.461 -2.327 -7.824 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.287 -2.433 -6.870 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.132 -0.686 -6.439 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.457 -0.080 -6.017 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.349 -3.357 -5.554 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.909 -0.216 -3.770 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.462 -4.502 -3.382 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.795 -1.355 -1.605 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.387 -3.504 -1.404 1.00 0.00 H new ATOM 982 N ARG A 61 -2.371 -0.677 -8.282 1.00 0.00 N ATOM 983 CA ARG A 61 -3.044 0.169 -9.249 1.00 0.00 C ATOM 984 C ARG A 61 -4.139 0.998 -8.584 1.00 0.00 C ATOM 985 O ARG A 61 -4.821 0.535 -7.673 1.00 0.00 O ATOM 986 CB ARG A 61 -3.629 -0.685 -10.376 1.00 0.00 C ATOM 987 CG ARG A 61 -4.348 0.107 -11.454 1.00 0.00 C ATOM 988 CD ARG A 61 -4.934 -0.806 -12.512 1.00 0.00 C ATOM 989 NE ARG A 61 -3.904 -1.581 -13.209 1.00 0.00 N ATOM 990 CZ ARG A 61 -4.135 -2.760 -13.810 1.00 0.00 C ATOM 991 NH1 ARG A 61 -5.371 -3.256 -13.856 1.00 0.00 N ATOM 992 NH2 ARG A 61 -3.138 -3.429 -14.374 1.00 0.00 N ATOM 0 H ARG A 61 -2.984 -1.077 -7.571 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.312 0.858 -9.670 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.824 -1.256 -10.838 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.325 -1.405 -9.946 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.143 0.701 -11.003 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.653 0.806 -11.919 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.646 -1.488 -12.047 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.490 -0.210 -13.236 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.957 -1.203 -13.240 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.143 -2.740 -13.434 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.545 -4.151 -14.313 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.192 -3.049 -14.352 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.318 -4.324 -14.829 1.00 0.00 H new ATOM 1006 N PHE A 62 -4.298 2.227 -9.038 1.00 0.00 N ATOM 1007 CA PHE A 62 -5.305 3.125 -8.510 1.00 0.00 C ATOM 1008 C PHE A 62 -5.759 4.063 -9.613 1.00 0.00 C ATOM 1009 O PHE A 62 -4.932 4.615 -10.325 1.00 0.00 O ATOM 1010 CB PHE A 62 -4.726 3.928 -7.342 1.00 0.00 C ATOM 1011 CG PHE A 62 -5.727 4.799 -6.640 1.00 0.00 C ATOM 1012 CD1 PHE A 62 -5.950 6.103 -7.057 1.00 0.00 C ATOM 1013 CD2 PHE A 62 -6.438 4.317 -5.559 1.00 0.00 C ATOM 1014 CE1 PHE A 62 -6.866 6.905 -6.407 1.00 0.00 C ATOM 1015 CE2 PHE A 62 -7.352 5.114 -4.904 1.00 0.00 C ATOM 1016 CZ PHE A 62 -7.566 6.410 -5.329 1.00 0.00 C ATOM 0 H PHE A 62 -3.731 2.630 -9.784 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.157 2.549 -8.148 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.292 3.237 -6.620 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.913 4.553 -7.712 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.401 6.495 -7.900 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.276 3.304 -5.223 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.033 7.918 -6.743 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.900 4.725 -4.059 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.282 7.035 -4.816 1.00 0.00 H new ATOM 1026 N ASP A 63 -7.078 4.227 -9.776 1.00 0.00 N ATOM 1027 CA ASP A 63 -7.649 5.114 -10.819 1.00 0.00 C ATOM 1028 C ASP A 63 -7.384 4.541 -12.200 1.00 0.00 C ATOM 1029 O ASP A 63 -7.355 5.249 -13.200 1.00 0.00 O ATOM 1030 CB ASP A 63 -7.052 6.523 -10.723 1.00 0.00 C ATOM 1031 CG ASP A 63 -7.822 7.552 -11.531 1.00 0.00 C ATOM 1032 OD1 ASP A 63 -9.023 7.760 -11.253 1.00 0.00 O ATOM 1033 OD2 ASP A 63 -7.222 8.174 -12.439 1.00 0.00 O ATOM 0 H ASP A 63 -7.779 3.759 -9.201 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.725 5.178 -10.656 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.031 6.832 -9.678 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.019 6.498 -11.069 1.00 0.00 H new ATOM 1038 N GLY A 64 -7.213 3.245 -12.261 1.00 0.00 N ATOM 1039 CA GLY A 64 -6.912 2.602 -13.515 1.00 0.00 C ATOM 1040 C GLY A 64 -5.437 2.656 -13.844 1.00 0.00 C ATOM 1041 O GLY A 64 -4.924 1.804 -14.566 1.00 0.00 O ATOM 0 H GLY A 64 -7.277 2.616 -11.461 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.236 1.562 -13.475 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.479 3.082 -14.313 1.00 0.00 H new ATOM 1045 N GLN A 65 -4.740 3.649 -13.311 1.00 0.00 N ATOM 1046 CA GLN A 65 -3.314 3.782 -13.559 1.00 0.00 C ATOM 1047 C GLN A 65 -2.507 3.052 -12.487 1.00 0.00 C ATOM 1048 O GLN A 65 -2.852 3.088 -11.304 1.00 0.00 O ATOM 1049 CB GLN A 65 -2.899 5.259 -13.626 1.00 0.00 C ATOM 1050 CG GLN A 65 -3.279 6.053 -12.396 1.00 0.00 C ATOM 1051 CD GLN A 65 -2.607 7.403 -12.327 1.00 0.00 C ATOM 1052 OE1 GLN A 65 -2.312 8.025 -13.345 1.00 0.00 O ATOM 1053 NE2 GLN A 65 -2.355 7.859 -11.119 1.00 0.00 N ATOM 0 H GLN A 65 -5.137 4.370 -12.708 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.101 3.325 -14.525 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.820 5.318 -13.767 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.360 5.718 -14.501 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.360 6.192 -12.381 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.019 5.479 -11.507 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.617 7.309 -10.301 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.897 8.763 -11.000 1.00 0.00 H new ATOM 1062 N PRO A 66 -1.445 2.351 -12.886 1.00 0.00 N ATOM 1063 CA PRO A 66 -0.583 1.653 -11.945 1.00 0.00 C ATOM 1064 C PRO A 66 0.232 2.642 -11.112 1.00 0.00 C ATOM 1065 O PRO A 66 0.658 3.689 -11.606 1.00 0.00 O ATOM 1066 CB PRO A 66 0.329 0.812 -12.835 1.00 0.00 C ATOM 1067 CG PRO A 66 0.328 1.504 -14.151 1.00 0.00 C ATOM 1068 CD PRO A 66 -1.004 2.184 -14.279 1.00 0.00 C ATOM 0 HA PRO A 66 -1.145 1.052 -11.230 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.336 0.751 -12.422 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.041 -0.209 -12.926 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.140 2.229 -14.208 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.479 0.792 -14.963 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.917 3.143 -14.789 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.708 1.581 -14.852 1.00 0.00 H new ATOM 1076 N ILE A 67 0.447 2.320 -9.859 1.00 0.00 N ATOM 1077 CA ILE A 67 1.173 3.209 -8.964 1.00 0.00 C ATOM 1078 C ILE A 67 2.492 2.594 -8.534 1.00 0.00 C ATOM 1079 O ILE A 67 2.750 1.417 -8.785 1.00 0.00 O ATOM 1080 CB ILE A 67 0.333 3.601 -7.736 1.00 0.00 C ATOM 1081 CG1 ILE A 67 -0.245 2.355 -7.066 1.00 0.00 C ATOM 1082 CG2 ILE A 67 -0.771 4.570 -8.141 1.00 0.00 C ATOM 1083 CD1 ILE A 67 -1.126 2.649 -5.875 1.00 0.00 C ATOM 0 H ILE A 67 0.132 1.450 -9.429 1.00 0.00 H new ATOM 0 HA ILE A 67 1.383 4.121 -9.523 1.00 0.00 H new ATOM 0 HB ILE A 67 0.976 4.103 -7.013 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.822 1.794 -7.802 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.576 1.713 -6.748 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.358 4.840 -7.263 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.327 5.468 -8.571 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.418 4.096 -8.879 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.496 1.713 -5.456 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.550 3.182 -5.119 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.969 3.265 -6.189 1.00 0.00 H new ATOM 1095 N ASN A 68 3.327 3.379 -7.875 1.00 0.00 N ATOM 1096 CA ASN A 68 4.656 2.917 -7.500 1.00 0.00 C ATOM 1097 C ASN A 68 4.929 3.192 -6.057 1.00 0.00 C ATOM 1098 O ASN A 68 4.279 4.008 -5.430 1.00 0.00 O ATOM 1099 CB ASN A 68 5.744 3.618 -8.315 1.00 0.00 C ATOM 1100 CG ASN A 68 5.308 4.004 -9.690 1.00 0.00 C ATOM 1101 OD1 ASN A 68 5.415 3.224 -10.636 1.00 0.00 O ATOM 1102 ND2 ASN A 68 4.826 5.220 -9.813 1.00 0.00 N ATOM 0 H ASN A 68 3.112 4.334 -7.589 1.00 0.00 H new ATOM 0 HA ASN A 68 4.677 1.845 -7.696 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.067 4.512 -7.781 1.00 0.00 H new ATOM 0 HB3 ASN A 68 6.611 2.961 -8.389 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.519 5.557 -10.725 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.759 5.827 -8.996 1.00 0.00 H new ATOM 1109 N GLU A 69 5.942 2.555 -5.541 1.00 0.00 N ATOM 1110 CA GLU A 69 6.331 2.737 -4.157 1.00 0.00 C ATOM 1111 C GLU A 69 6.914 4.139 -3.946 1.00 0.00 C ATOM 1112 O GLU A 69 7.176 4.563 -2.820 1.00 0.00 O ATOM 1113 CB GLU A 69 7.345 1.669 -3.758 1.00 0.00 C ATOM 1114 CG GLU A 69 8.637 1.733 -4.543 1.00 0.00 C ATOM 1115 CD GLU A 69 9.639 0.694 -4.091 1.00 0.00 C ATOM 1116 OE1 GLU A 69 9.539 -0.465 -4.537 1.00 0.00 O ATOM 1117 OE2 GLU A 69 10.521 1.025 -3.270 1.00 0.00 O ATOM 0 H GLU A 69 6.524 1.896 -6.059 1.00 0.00 H new ATOM 0 HA GLU A 69 5.449 2.636 -3.525 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.570 1.773 -2.696 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.896 0.685 -3.894 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.423 1.590 -5.602 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.074 2.726 -4.437 1.00 0.00 H new ATOM 1124 N THR A 70 7.110 4.860 -5.039 1.00 0.00 N ATOM 1125 CA THR A 70 7.655 6.192 -4.987 1.00 0.00 C ATOM 1126 C THR A 70 6.561 7.257 -5.149 1.00 0.00 C ATOM 1127 O THR A 70 6.858 8.454 -5.230 1.00 0.00 O ATOM 1128 CB THR A 70 8.760 6.397 -6.061 1.00 0.00 C ATOM 1129 OG1 THR A 70 9.304 7.723 -5.974 1.00 0.00 O ATOM 1130 CG2 THR A 70 8.213 6.166 -7.463 1.00 0.00 C ATOM 0 H THR A 70 6.894 4.532 -5.980 1.00 0.00 H new ATOM 0 HA THR A 70 8.105 6.310 -4.001 1.00 0.00 H new ATOM 0 HB THR A 70 9.547 5.668 -5.868 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.625 8.332 -5.616 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.008 6.316 -8.193 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.835 5.147 -7.543 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.403 6.869 -7.658 1.00 0.00 H new ATOM 1138 N ASP A 71 5.294 6.845 -5.183 1.00 0.00 N ATOM 1139 CA ASP A 71 4.214 7.812 -5.314 1.00 0.00 C ATOM 1140 C ASP A 71 3.603 8.095 -3.949 1.00 0.00 C ATOM 1141 O ASP A 71 3.708 7.280 -3.017 1.00 0.00 O ATOM 1142 CB ASP A 71 3.141 7.354 -6.331 1.00 0.00 C ATOM 1143 CG ASP A 71 1.979 6.600 -5.730 1.00 0.00 C ATOM 1144 OD1 ASP A 71 1.046 7.253 -5.224 1.00 0.00 O ATOM 1145 OD2 ASP A 71 1.980 5.361 -5.810 1.00 0.00 O ATOM 0 H ASP A 71 4.998 5.871 -5.123 1.00 0.00 H new ATOM 0 HA ASP A 71 4.635 8.737 -5.708 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.756 8.231 -6.852 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.617 6.722 -7.080 1.00 0.00 H new ATOM 1150 N THR A 72 3.003 9.260 -3.805 1.00 0.00 N ATOM 1151 CA THR A 72 2.408 9.654 -2.549 1.00 0.00 C ATOM 1152 C THR A 72 0.921 9.926 -2.726 1.00 0.00 C ATOM 1153 O THR A 72 0.485 10.333 -3.807 1.00 0.00 O ATOM 1154 CB THR A 72 3.092 10.921 -1.981 1.00 0.00 C ATOM 1155 OG1 THR A 72 2.886 12.025 -2.872 1.00 0.00 O ATOM 1156 CG2 THR A 72 4.582 10.700 -1.815 1.00 0.00 C ATOM 0 H THR A 72 2.916 9.952 -4.549 1.00 0.00 H new ATOM 0 HA THR A 72 2.548 8.832 -1.847 1.00 0.00 H new ATOM 0 HB THR A 72 2.652 11.136 -1.007 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.319 12.825 -2.507 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.041 11.604 -1.415 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.753 9.871 -1.128 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.025 10.466 -2.783 1.00 0.00 H new ATOM 1164 N PRO A 73 0.115 9.738 -1.658 1.00 0.00 N ATOM 1165 CA PRO A 73 -1.332 9.966 -1.710 1.00 0.00 C ATOM 1166 C PRO A 73 -1.675 11.421 -2.019 1.00 0.00 C ATOM 1167 O PRO A 73 -2.796 11.742 -2.392 1.00 0.00 O ATOM 1168 CB PRO A 73 -1.813 9.588 -0.302 1.00 0.00 C ATOM 1169 CG PRO A 73 -0.600 9.679 0.555 1.00 0.00 C ATOM 1170 CD PRO A 73 0.549 9.287 -0.324 1.00 0.00 C ATOM 0 HA PRO A 73 -1.806 9.385 -2.501 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.593 10.266 0.044 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.234 8.583 -0.285 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.469 10.689 0.942 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.678 9.015 1.416 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.476 9.771 -0.016 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.727 8.212 -0.300 1.00 0.00 H new ATOM 1178 N ALA A 74 -0.700 12.302 -1.877 1.00 0.00 N ATOM 1179 CA ALA A 74 -0.905 13.716 -2.151 1.00 0.00 C ATOM 1180 C ALA A 74 -0.680 14.019 -3.621 1.00 0.00 C ATOM 1181 O ALA A 74 -1.075 15.064 -4.120 1.00 0.00 O ATOM 1182 CB ALA A 74 0.014 14.567 -1.290 1.00 0.00 C ATOM 0 H ALA A 74 0.244 12.064 -1.573 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.938 13.961 -1.904 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.155 15.621 -1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.195 14.378 -0.237 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.052 14.313 -1.505 1.00 0.00 H new ATOM 1188 N GLN A 75 -0.040 13.098 -4.313 1.00 0.00 N ATOM 1189 CA GLN A 75 0.248 13.255 -5.726 1.00 0.00 C ATOM 1190 C GLN A 75 -0.967 12.922 -6.575 1.00 0.00 C ATOM 1191 O GLN A 75 -1.414 13.721 -7.391 1.00 0.00 O ATOM 1192 CB GLN A 75 1.414 12.355 -6.113 1.00 0.00 C ATOM 1193 CG GLN A 75 2.759 13.036 -6.057 1.00 0.00 C ATOM 1194 CD GLN A 75 3.906 12.048 -6.092 1.00 0.00 C ATOM 1195 OE1 GLN A 75 3.789 10.962 -6.655 1.00 0.00 O ATOM 1196 NE2 GLN A 75 5.022 12.414 -5.493 1.00 0.00 N ATOM 0 H GLN A 75 0.295 12.221 -3.914 1.00 0.00 H new ATOM 0 HA GLN A 75 0.512 14.297 -5.909 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.428 11.490 -5.450 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.250 11.979 -7.123 1.00 0.00 H new ATOM 0 HG2 GLN A 75 2.850 13.725 -6.897 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.824 13.633 -5.147 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.081 13.324 -5.036 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.827 11.787 -5.486 1.00 0.00 H new ATOM 1205 N LEU A 76 -1.494 11.739 -6.380 1.00 0.00 N ATOM 1206 CA LEU A 76 -2.650 11.282 -7.144 1.00 0.00 C ATOM 1207 C LEU A 76 -3.970 11.584 -6.419 1.00 0.00 C ATOM 1208 O LEU A 76 -5.029 11.086 -6.803 1.00 0.00 O ATOM 1209 CB LEU A 76 -2.540 9.776 -7.456 1.00 0.00 C ATOM 1210 CG LEU A 76 -2.878 8.799 -6.312 1.00 0.00 C ATOM 1211 CD1 LEU A 76 -2.701 7.369 -6.778 1.00 0.00 C ATOM 1212 CD2 LEU A 76 -2.021 9.060 -5.084 1.00 0.00 C ATOM 0 H LEU A 76 -1.146 11.065 -5.698 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.655 11.835 -8.083 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.198 9.555 -8.296 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.522 9.572 -7.787 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.919 8.960 -6.032 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.942 6.688 -5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.365 7.176 -7.620 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.668 7.212 -7.088 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.287 8.353 -4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.969 8.938 -5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.192 10.077 -4.730 1.00 0.00 H new ATOM 1224 N GLU A 77 -3.897 12.417 -5.380 1.00 0.00 N ATOM 1225 CA GLU A 77 -5.061 12.785 -4.567 1.00 0.00 C ATOM 1226 C GLU A 77 -5.831 11.579 -4.021 1.00 0.00 C ATOM 1227 O GLU A 77 -6.990 11.348 -4.377 1.00 0.00 O ATOM 1228 CB GLU A 77 -6.017 13.728 -5.307 1.00 0.00 C ATOM 1229 CG GLU A 77 -5.518 15.154 -5.410 1.00 0.00 C ATOM 1230 CD GLU A 77 -4.638 15.391 -6.606 1.00 0.00 C ATOM 1231 OE1 GLU A 77 -5.145 15.311 -7.749 1.00 0.00 O ATOM 1232 OE2 GLU A 77 -3.447 15.686 -6.418 1.00 0.00 O ATOM 0 H GLU A 77 -3.028 12.857 -5.077 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.643 13.317 -3.712 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.188 13.340 -6.311 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.980 13.727 -4.796 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.373 15.828 -5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.964 15.404 -4.505 1.00 0.00 H new ATOM 1239 N MET A 78 -5.184 10.793 -3.184 1.00 0.00 N ATOM 1240 CA MET A 78 -5.855 9.689 -2.537 1.00 0.00 C ATOM 1241 C MET A 78 -6.488 10.203 -1.266 1.00 0.00 C ATOM 1242 O MET A 78 -5.847 10.903 -0.497 1.00 0.00 O ATOM 1243 CB MET A 78 -4.887 8.558 -2.205 1.00 0.00 C ATOM 1244 CG MET A 78 -5.549 7.196 -2.253 1.00 0.00 C ATOM 1245 SD MET A 78 -4.423 5.830 -1.914 1.00 0.00 S ATOM 1246 CE MET A 78 -3.385 5.863 -3.366 1.00 0.00 C ATOM 0 H MET A 78 -4.200 10.899 -2.938 1.00 0.00 H new ATOM 0 HA MET A 78 -6.608 9.287 -3.215 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.054 8.579 -2.908 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.470 8.721 -1.211 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.363 7.172 -1.529 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.994 7.053 -3.238 1.00 0.00 H new ATOM 0 HE1 MET A 78 -3.017 4.858 -3.573 1.00 0.00 H new ATOM 0 HE2 MET A 78 -3.963 6.221 -4.218 1.00 0.00 H new ATOM 0 HE3 MET A 78 -2.541 6.530 -3.194 1.00 0.00 H new ATOM 1256 N GLU A 79 -7.727 9.862 -1.035 1.00 0.00 N ATOM 1257 CA GLU A 79 -8.435 10.368 0.125 1.00 0.00 C ATOM 1258 C GLU A 79 -8.555 9.296 1.186 1.00 0.00 C ATOM 1259 O GLU A 79 -8.179 8.146 0.966 1.00 0.00 O ATOM 1260 CB GLU A 79 -9.812 10.859 -0.287 1.00 0.00 C ATOM 1261 CG GLU A 79 -9.774 11.919 -1.372 1.00 0.00 C ATOM 1262 CD GLU A 79 -9.323 13.283 -0.863 1.00 0.00 C ATOM 1263 OE1 GLU A 79 -8.133 13.444 -0.514 1.00 0.00 O ATOM 1264 OE2 GLU A 79 -10.166 14.204 -0.813 1.00 0.00 O ATOM 0 H GLU A 79 -8.272 9.237 -1.629 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.871 11.201 0.545 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.402 10.012 -0.637 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.322 11.263 0.587 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.101 11.594 -2.165 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.766 12.013 -1.814 1.00 0.00 H new ATOM 1271 N ASP A 80 -9.075 9.663 2.341 1.00 0.00 N ATOM 1272 CA ASP A 80 -9.245 8.714 3.425 1.00 0.00 C ATOM 1273 C ASP A 80 -10.266 7.663 3.059 1.00 0.00 C ATOM 1274 O ASP A 80 -11.263 7.951 2.382 1.00 0.00 O ATOM 1275 CB ASP A 80 -9.653 9.408 4.737 1.00 0.00 C ATOM 1276 CG ASP A 80 -11.016 10.074 4.676 1.00 0.00 C ATOM 1277 OD1 ASP A 80 -11.150 11.115 3.989 1.00 0.00 O ATOM 1278 OD2 ASP A 80 -11.955 9.568 5.331 1.00 0.00 O ATOM 0 H ASP A 80 -9.387 10.611 2.553 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.279 8.235 3.586 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -9.653 8.673 5.542 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.903 10.157 4.990 1.00 0.00 H new ATOM 1283 N GLU A 81 -9.991 6.432 3.468 1.00 0.00 N ATOM 1284 CA GLU A 81 -10.870 5.294 3.246 1.00 0.00 C ATOM 1285 C GLU A 81 -10.917 4.894 1.772 1.00 0.00 C ATOM 1286 O GLU A 81 -11.797 4.146 1.341 1.00 0.00 O ATOM 1287 CB GLU A 81 -12.261 5.588 3.798 1.00 0.00 C ATOM 1288 CG GLU A 81 -12.253 5.826 5.295 1.00 0.00 C ATOM 1289 CD GLU A 81 -12.146 4.543 6.088 1.00 0.00 C ATOM 1290 OE1 GLU A 81 -11.025 4.024 6.246 1.00 0.00 O ATOM 1291 OE2 GLU A 81 -13.187 4.045 6.561 1.00 0.00 O ATOM 0 H GLU A 81 -9.137 6.193 3.972 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.464 4.439 3.786 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -12.670 6.465 3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.923 4.753 3.570 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.417 6.478 5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.165 6.350 5.581 1.00 0.00 H new ATOM 1298 N ASP A 82 -9.957 5.377 0.995 1.00 0.00 N ATOM 1299 CA ASP A 82 -9.878 5.022 -0.413 1.00 0.00 C ATOM 1300 C ASP A 82 -9.230 3.648 -0.550 1.00 0.00 C ATOM 1301 O ASP A 82 -8.560 3.172 0.373 1.00 0.00 O ATOM 1302 CB ASP A 82 -9.097 6.076 -1.201 1.00 0.00 C ATOM 1303 CG ASP A 82 -9.757 6.410 -2.517 1.00 0.00 C ATOM 1304 OD1 ASP A 82 -10.004 5.487 -3.315 1.00 0.00 O ATOM 1305 OD2 ASP A 82 -10.039 7.605 -2.756 1.00 0.00 O ATOM 0 H ASP A 82 -9.226 6.012 1.315 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.885 4.985 -0.829 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.007 6.982 -0.602 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.086 5.714 -1.385 1.00 0.00 H new ATOM 1310 N THR A 83 -9.419 2.995 -1.678 1.00 0.00 N ATOM 1311 CA THR A 83 -8.910 1.641 -1.847 1.00 0.00 C ATOM 1312 C THR A 83 -8.033 1.490 -3.103 1.00 0.00 C ATOM 1313 O THR A 83 -8.293 2.092 -4.145 1.00 0.00 O ATOM 1314 CB THR A 83 -10.077 0.624 -1.883 1.00 0.00 C ATOM 1315 OG1 THR A 83 -10.919 0.830 -0.738 1.00 0.00 O ATOM 1316 CG2 THR A 83 -9.561 -0.810 -1.868 1.00 0.00 C ATOM 0 H THR A 83 -9.915 3.371 -2.486 1.00 0.00 H new ATOM 0 HA THR A 83 -8.275 1.433 -0.986 1.00 0.00 H new ATOM 0 HB THR A 83 -10.638 0.780 -2.804 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.660 0.189 -0.758 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.404 -1.500 -1.894 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.928 -0.978 -2.739 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.982 -0.979 -0.960 1.00 0.00 H new ATOM 1324 N ILE A 84 -6.999 0.668 -2.980 1.00 0.00 N ATOM 1325 CA ILE A 84 -6.064 0.401 -4.065 1.00 0.00 C ATOM 1326 C ILE A 84 -6.285 -1.013 -4.595 1.00 0.00 C ATOM 1327 O ILE A 84 -6.495 -1.943 -3.819 1.00 0.00 O ATOM 1328 CB ILE A 84 -4.577 0.536 -3.600 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -4.232 1.978 -3.208 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -3.623 0.043 -4.672 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -4.676 2.365 -1.814 1.00 0.00 C ATOM 0 H ILE A 84 -6.784 0.165 -2.119 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.249 1.139 -4.846 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.462 -0.090 -2.715 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.153 2.115 -3.285 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.692 2.658 -3.925 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.596 0.149 -4.322 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.827 -1.006 -4.886 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.759 0.632 -5.579 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.394 3.399 -1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.758 2.263 -1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.196 1.712 -1.085 1.00 0.00 H new ATOM 1343 N ASP A 85 -6.236 -1.176 -5.909 1.00 0.00 N ATOM 1344 CA ASP A 85 -6.431 -2.489 -6.529 1.00 0.00 C ATOM 1345 C ASP A 85 -5.091 -3.161 -6.785 1.00 0.00 C ATOM 1346 O ASP A 85 -4.213 -2.600 -7.439 1.00 0.00 O ATOM 1347 CB ASP A 85 -7.203 -2.374 -7.851 1.00 0.00 C ATOM 1348 CG ASP A 85 -8.609 -1.848 -7.676 1.00 0.00 C ATOM 1349 OD1 ASP A 85 -9.505 -2.629 -7.292 1.00 0.00 O ATOM 1350 OD2 ASP A 85 -8.830 -0.646 -7.934 1.00 0.00 O ATOM 0 H ASP A 85 -6.063 -0.419 -6.571 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.016 -3.094 -5.836 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.657 -1.716 -8.527 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.245 -3.354 -8.326 1.00 0.00 H new ATOM 1355 N VAL A 86 -4.919 -4.352 -6.257 1.00 0.00 N ATOM 1356 CA VAL A 86 -3.688 -5.101 -6.445 1.00 0.00 C ATOM 1357 C VAL A 86 -3.905 -6.315 -7.346 1.00 0.00 C ATOM 1358 O VAL A 86 -4.907 -7.033 -7.228 1.00 0.00 O ATOM 1359 CB VAL A 86 -3.095 -5.543 -5.090 1.00 0.00 C ATOM 1360 CG1 VAL A 86 -1.994 -6.567 -5.279 1.00 0.00 C ATOM 1361 CG2 VAL A 86 -2.568 -4.342 -4.343 1.00 0.00 C ATOM 0 H VAL A 86 -5.619 -4.829 -5.689 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.977 -4.436 -6.935 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.889 -6.010 -4.507 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.597 -6.858 -4.307 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.397 -7.445 -5.784 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.195 -6.135 -5.883 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.151 -4.662 -3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.791 -3.858 -4.934 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.381 -3.638 -4.167 1.00 0.00 H new ATOM 1371 N PHE A 87 -2.941 -6.569 -8.221 1.00 0.00 N ATOM 1372 CA PHE A 87 -3.021 -7.659 -9.180 1.00 0.00 C ATOM 1373 C PHE A 87 -1.728 -8.476 -9.141 1.00 0.00 C ATOM 1374 O PHE A 87 -0.677 -7.963 -8.751 1.00 0.00 O ATOM 1375 CB PHE A 87 -3.252 -7.104 -10.589 1.00 0.00 C ATOM 1376 CG PHE A 87 -4.478 -6.248 -10.708 1.00 0.00 C ATOM 1377 CD1 PHE A 87 -4.418 -4.894 -10.429 1.00 0.00 C ATOM 1378 CD2 PHE A 87 -5.690 -6.796 -11.088 1.00 0.00 C ATOM 1379 CE1 PHE A 87 -5.538 -4.104 -10.526 1.00 0.00 C ATOM 1380 CE2 PHE A 87 -6.818 -6.010 -11.188 1.00 0.00 C ATOM 1381 CZ PHE A 87 -6.742 -4.660 -10.905 1.00 0.00 C ATOM 0 H PHE A 87 -2.081 -6.024 -8.285 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.859 -8.305 -8.918 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.382 -6.519 -10.887 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.332 -7.936 -11.289 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.479 -4.452 -10.131 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.753 -7.851 -11.309 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.476 -3.049 -10.306 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.759 -6.448 -11.487 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.624 -4.041 -10.980 1.00 0.00 H new ATOM 1391 N GLN A 88 -1.804 -9.743 -9.524 1.00 0.00 N ATOM 1392 CA GLN A 88 -0.634 -10.619 -9.534 1.00 0.00 C ATOM 1393 C GLN A 88 -0.267 -11.009 -10.959 1.00 0.00 C ATOM 1394 O GLN A 88 -0.995 -11.779 -11.592 1.00 0.00 O ATOM 1395 CB GLN A 88 -0.917 -11.905 -8.738 1.00 0.00 C ATOM 1396 CG GLN A 88 -0.621 -11.826 -7.249 1.00 0.00 C ATOM 1397 CD GLN A 88 -1.624 -11.000 -6.461 1.00 0.00 C ATOM 1398 OE1 GLN A 88 -2.638 -11.512 -5.997 1.00 0.00 O ATOM 1399 NE2 GLN A 88 -1.341 -9.729 -6.289 1.00 0.00 N ATOM 0 H GLN A 88 -2.666 -10.191 -9.834 1.00 0.00 H new ATOM 0 HA GLN A 88 0.191 -10.072 -9.077 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.966 -12.171 -8.870 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.327 -12.715 -9.166 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.597 -12.836 -6.840 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.373 -11.402 -7.109 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.488 -9.338 -6.690 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.974 -9.133 -5.755 1.00 0.00 H new ATOM 1408 N GLN A 89 0.882 -10.502 -11.457 1.00 0.00 N ATOM 1409 CA GLN A 89 1.377 -10.816 -12.821 1.00 0.00 C ATOM 1410 C GLN A 89 2.500 -9.855 -13.272 1.00 0.00 C ATOM 1411 O GLN A 89 2.245 -8.737 -13.718 1.00 0.00 O ATOM 1412 CB GLN A 89 0.226 -10.830 -13.894 1.00 0.00 C ATOM 1413 CG GLN A 89 -0.369 -9.461 -14.300 1.00 0.00 C ATOM 1414 CD GLN A 89 -0.931 -8.655 -13.138 1.00 0.00 C ATOM 1415 OE1 GLN A 89 -2.096 -8.794 -12.785 1.00 0.00 O ATOM 1416 NE2 GLN A 89 -0.102 -7.792 -12.555 1.00 0.00 N ATOM 0 H GLN A 89 1.489 -9.870 -10.934 1.00 0.00 H new ATOM 0 HA GLN A 89 1.790 -11.823 -12.754 1.00 0.00 H new ATOM 0 HB2 GLN A 89 0.606 -11.315 -14.793 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.584 -11.453 -13.515 1.00 0.00 H new ATOM 0 HG2 GLN A 89 0.405 -8.874 -14.794 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.161 -9.624 -15.031 1.00 0.00 H new ATOM 0 HE21 GLN A 89 0.861 -7.709 -12.882 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -0.429 -7.213 -11.781 1.00 0.00 H new ATOM 1425 N GLN A 90 3.757 -10.245 -13.112 1.00 0.00 N ATOM 1426 CA GLN A 90 4.845 -9.440 -13.652 1.00 0.00 C ATOM 1427 C GLN A 90 5.112 -9.803 -15.118 1.00 0.00 C ATOM 1428 O GLN A 90 6.148 -9.438 -15.684 1.00 0.00 O ATOM 1429 CB GLN A 90 6.119 -9.632 -12.819 1.00 0.00 C ATOM 1430 CG GLN A 90 6.630 -11.068 -12.780 1.00 0.00 C ATOM 1431 CD GLN A 90 7.921 -11.209 -11.994 1.00 0.00 C ATOM 1432 OE1 GLN A 90 8.171 -10.471 -11.039 1.00 0.00 O ATOM 1433 NE2 GLN A 90 8.752 -12.150 -12.395 1.00 0.00 N ATOM 0 H GLN A 90 4.045 -11.093 -12.625 1.00 0.00 H new ATOM 0 HA GLN A 90 4.549 -8.392 -13.603 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.903 -8.990 -13.221 1.00 0.00 H new ATOM 0 HB3 GLN A 90 5.926 -9.299 -11.799 1.00 0.00 H new ATOM 0 HG2 GLN A 90 5.868 -11.709 -12.337 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.789 -11.420 -13.799 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.508 -12.741 -13.190 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.639 -12.288 -11.910 1.00 0.00 H new ATOM 1442 N THR A 91 4.172 -10.529 -15.725 1.00 0.00 N ATOM 1443 CA THR A 91 4.275 -10.955 -17.116 1.00 0.00 C ATOM 1444 C THR A 91 4.543 -9.762 -18.041 1.00 0.00 C ATOM 1445 O THR A 91 3.799 -8.777 -18.044 1.00 0.00 O ATOM 1446 CB THR A 91 2.977 -11.657 -17.567 1.00 0.00 C ATOM 1447 OG1 THR A 91 2.614 -12.661 -16.610 1.00 0.00 O ATOM 1448 CG2 THR A 91 3.155 -12.304 -18.936 1.00 0.00 C ATOM 0 H THR A 91 3.317 -10.837 -15.262 1.00 0.00 H new ATOM 0 HA THR A 91 5.110 -11.652 -17.182 1.00 0.00 H new ATOM 0 HB THR A 91 2.188 -10.908 -17.636 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.789 -13.104 -16.898 1.00 0.00 H new ATOM 0 HG21 THR A 91 2.226 -12.792 -19.231 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.412 -11.539 -19.669 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.954 -13.044 -18.888 1.00 0.00 H new ATOM 1456 N GLY A 92 5.609 -9.850 -18.814 1.00 0.00 N ATOM 1457 CA GLY A 92 5.957 -8.783 -19.718 1.00 0.00 C ATOM 1458 C GLY A 92 7.353 -8.272 -19.466 1.00 0.00 C ATOM 1459 O GLY A 92 8.327 -8.816 -19.986 1.00 0.00 O ATOM 0 H GLY A 92 6.244 -10.648 -18.831 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.879 -9.137 -20.746 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.245 -7.965 -19.607 1.00 0.00 H new ATOM 1463 N GLY A 93 7.465 -7.237 -18.657 1.00 0.00 N ATOM 1464 CA GLY A 93 8.755 -6.674 -18.346 1.00 0.00 C ATOM 1465 C GLY A 93 8.732 -5.168 -18.404 1.00 0.00 C ATOM 1466 O GLY A 93 9.780 -4.562 -18.673 1.00 0.00 O ATOM 1467 OXT GLY A 93 7.647 -4.579 -18.193 1.00 0.00 O ATOM 0 H GLY A 93 6.677 -6.772 -18.206 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.063 -6.996 -17.351 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.497 -7.054 -19.048 1.00 0.00 H new TER 1471 GLY A 93