USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 864 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.0879 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -107:sc= -0.353 (180deg=-1.91!) USER MOD Single : A 30 LYS NZ :NH3+ 140:sc= 0.694 (180deg=0.0845) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -6.17! C(o=-6.2!,f=-5.7!) USER MOD Single : A 33 GLN : amide:sc= -1.55 K(o=-1.5,f=-0.12) USER MOD Single : A 39 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.44) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 53 LYS NZ :NH3+ -160:sc= 0.175 (180deg=-0.12!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -2.1 X(o=-2.1,f=-2) USER MOD Single : A 58 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0345) USER MOD Single : A 66 GLN : amide:sc= -0.542 K(o=-0.54,f=-1.9) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0181 USER MOD Single : A 79 ASN : amide:sc= -0.989 K(o=-0.99,f=-5.9!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 96 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.093) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -119:sc= 0.925 USER MOD Single : A 106 HIS : no HE2:sc= 0.765 K(o=0.76,f=-2.4!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.640 19.492 -5.980 1.00 0.00 N ATOM 2 CA GLY A 1 14.810 18.516 -6.662 1.00 0.00 C ATOM 3 C GLY A 1 15.273 18.253 -8.081 1.00 0.00 C ATOM 4 O GLY A 1 16.285 18.796 -8.522 1.00 0.00 O ATOM 0 H1 GLY A 1 15.843 19.162 -5.015 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.533 19.612 -6.500 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.140 20.403 -5.936 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.818 17.581 -6.101 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.779 18.869 -6.679 1.00 0.00 H new ATOM 8 N SER A 2 14.530 17.415 -8.798 1.00 0.00 N ATOM 9 CA SER A 2 14.873 17.076 -10.174 1.00 0.00 C ATOM 10 C SER A 2 14.378 18.150 -11.137 1.00 0.00 C ATOM 11 O SER A 2 13.202 18.513 -11.129 1.00 0.00 O ATOM 12 CB SER A 2 14.272 15.720 -10.552 1.00 0.00 C ATOM 13 OG SER A 2 14.839 15.229 -11.754 1.00 0.00 O ATOM 0 H SER A 2 13.687 16.959 -8.449 1.00 0.00 H new ATOM 0 HA SER A 2 15.959 17.018 -10.248 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.443 15.005 -9.747 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.193 15.817 -10.668 1.00 0.00 H new ATOM 0 HG SER A 2 14.440 14.361 -11.973 1.00 0.00 H new ATOM 19 N SER A 3 15.285 18.655 -11.968 1.00 0.00 N ATOM 20 CA SER A 3 14.943 19.690 -12.935 1.00 0.00 C ATOM 21 C SER A 3 15.257 19.231 -14.356 1.00 0.00 C ATOM 22 O SER A 3 16.039 18.304 -14.562 1.00 0.00 O ATOM 23 CB SER A 3 15.704 20.980 -12.624 1.00 0.00 C ATOM 24 OG SER A 3 15.055 22.105 -13.191 1.00 0.00 O ATOM 0 H SER A 3 16.262 18.363 -11.990 1.00 0.00 H new ATOM 0 HA SER A 3 13.872 19.881 -12.862 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.783 21.108 -11.544 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.720 20.909 -13.012 1.00 0.00 H new ATOM 0 HG SER A 3 15.560 22.917 -12.976 1.00 0.00 H new ATOM 30 N GLY A 4 14.641 19.889 -15.334 1.00 0.00 N ATOM 31 CA GLY A 4 14.867 19.535 -16.723 1.00 0.00 C ATOM 32 C GLY A 4 13.829 20.136 -17.650 1.00 0.00 C ATOM 33 O GLY A 4 12.635 19.872 -17.511 1.00 0.00 O ATOM 0 H GLY A 4 13.990 20.661 -15.189 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.858 19.873 -17.024 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.856 18.450 -16.825 1.00 0.00 H new ATOM 37 N SER A 5 14.285 20.948 -18.599 1.00 0.00 N ATOM 38 CA SER A 5 13.387 21.593 -19.550 1.00 0.00 C ATOM 39 C SER A 5 12.554 20.557 -20.299 1.00 0.00 C ATOM 40 O SER A 5 13.003 19.984 -21.291 1.00 0.00 O ATOM 41 CB SER A 5 14.185 22.438 -20.544 1.00 0.00 C ATOM 42 OG SER A 5 14.958 23.419 -19.874 1.00 0.00 O ATOM 0 H SER A 5 15.271 21.175 -18.730 1.00 0.00 H new ATOM 0 HA SER A 5 12.712 22.242 -18.992 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.839 21.793 -21.131 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.504 22.923 -21.243 1.00 0.00 H new ATOM 0 HG SER A 5 15.460 23.945 -20.531 1.00 0.00 H new ATOM 48 N SER A 6 11.338 20.323 -19.816 1.00 0.00 N ATOM 49 CA SER A 6 10.443 19.354 -20.436 1.00 0.00 C ATOM 50 C SER A 6 11.157 18.027 -20.671 1.00 0.00 C ATOM 51 O SER A 6 10.980 17.389 -21.708 1.00 0.00 O ATOM 52 CB SER A 6 9.906 19.900 -21.761 1.00 0.00 C ATOM 53 OG SER A 6 8.821 20.785 -21.546 1.00 0.00 O ATOM 0 H SER A 6 10.950 20.791 -18.997 1.00 0.00 H new ATOM 0 HA SER A 6 9.608 19.181 -19.757 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.703 20.419 -22.293 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.585 19.074 -22.395 1.00 0.00 H new ATOM 0 HG SER A 6 8.497 21.121 -22.408 1.00 0.00 H new ATOM 59 N GLY A 7 11.966 17.617 -19.699 1.00 0.00 N ATOM 60 CA GLY A 7 12.696 16.369 -19.818 1.00 0.00 C ATOM 61 C GLY A 7 11.969 15.208 -19.170 1.00 0.00 C ATOM 62 O GLY A 7 12.034 15.028 -17.954 1.00 0.00 O ATOM 0 H GLY A 7 12.129 18.127 -18.831 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.861 16.147 -20.872 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.678 16.481 -19.358 1.00 0.00 H new ATOM 66 N MET A 8 11.273 14.419 -19.982 1.00 0.00 N ATOM 67 CA MET A 8 10.530 13.269 -19.479 1.00 0.00 C ATOM 68 C MET A 8 11.306 12.562 -18.373 1.00 0.00 C ATOM 69 O MET A 8 12.525 12.700 -18.271 1.00 0.00 O ATOM 70 CB MET A 8 10.234 12.289 -20.617 1.00 0.00 C ATOM 71 CG MET A 8 8.986 12.640 -21.411 1.00 0.00 C ATOM 72 SD MET A 8 9.079 12.094 -23.127 1.00 0.00 S ATOM 73 CE MET A 8 7.802 13.103 -23.873 1.00 0.00 C ATOM 0 H MET A 8 11.208 14.555 -20.991 1.00 0.00 H new ATOM 0 HA MET A 8 9.588 13.629 -19.065 1.00 0.00 H new ATOM 0 HB2 MET A 8 11.089 12.261 -21.293 1.00 0.00 H new ATOM 0 HB3 MET A 8 10.122 11.287 -20.203 1.00 0.00 H new ATOM 0 HG2 MET A 8 8.117 12.185 -20.935 1.00 0.00 H new ATOM 0 HG3 MET A 8 8.835 13.719 -21.385 1.00 0.00 H new ATOM 0 HE1 MET A 8 7.738 12.880 -24.938 1.00 0.00 H new ATOM 0 HE2 MET A 8 6.845 12.888 -23.399 1.00 0.00 H new ATOM 0 HE3 MET A 8 8.045 14.157 -23.737 1.00 0.00 H new ATOM 83 N ALA A 9 10.592 11.806 -17.546 1.00 0.00 N ATOM 84 CA ALA A 9 11.214 11.076 -16.448 1.00 0.00 C ATOM 85 C ALA A 9 11.294 9.585 -16.755 1.00 0.00 C ATOM 86 O ALA A 9 10.520 9.065 -17.559 1.00 0.00 O ATOM 87 CB ALA A 9 10.446 11.311 -15.156 1.00 0.00 C ATOM 0 H ALA A 9 9.582 11.683 -17.615 1.00 0.00 H new ATOM 0 HA ALA A 9 12.231 11.449 -16.326 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.922 10.760 -14.345 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.446 12.375 -14.921 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.419 10.966 -15.275 1.00 0.00 H new ATOM 93 N ALA A 10 12.234 8.902 -16.111 1.00 0.00 N ATOM 94 CA ALA A 10 12.413 7.470 -16.315 1.00 0.00 C ATOM 95 C ALA A 10 11.689 6.667 -15.240 1.00 0.00 C ATOM 96 O ALA A 10 11.319 7.187 -14.186 1.00 0.00 O ATOM 97 CB ALA A 10 13.894 7.120 -16.329 1.00 0.00 C ATOM 0 H ALA A 10 12.884 9.317 -15.443 1.00 0.00 H new ATOM 0 HA ALA A 10 11.979 7.209 -17.280 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.013 6.047 -16.482 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.388 7.659 -17.138 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.344 7.403 -15.377 1.00 0.00 H new ATOM 103 N PRO A 11 11.480 5.370 -15.508 1.00 0.00 N ATOM 104 CA PRO A 11 10.797 4.468 -14.576 1.00 0.00 C ATOM 105 C PRO A 11 11.634 4.177 -13.334 1.00 0.00 C ATOM 106 O PRO A 11 12.805 3.808 -13.435 1.00 0.00 O ATOM 107 CB PRO A 11 10.598 3.192 -15.397 1.00 0.00 C ATOM 108 CG PRO A 11 11.677 3.230 -16.424 1.00 0.00 C ATOM 109 CD PRO A 11 11.893 4.683 -16.744 1.00 0.00 C ATOM 0 HA PRO A 11 9.868 4.898 -14.200 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.678 2.303 -14.772 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.611 3.169 -15.860 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.592 2.773 -16.046 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.387 2.673 -17.315 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.935 4.890 -16.990 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.295 4.999 -17.599 1.00 0.00 H new ATOM 117 N LEU A 12 11.026 4.344 -12.165 1.00 0.00 N ATOM 118 CA LEU A 12 11.715 4.098 -10.903 1.00 0.00 C ATOM 119 C LEU A 12 11.280 2.769 -10.295 1.00 0.00 C ATOM 120 O LEU A 12 10.136 2.344 -10.461 1.00 0.00 O ATOM 121 CB LEU A 12 11.440 5.237 -9.919 1.00 0.00 C ATOM 122 CG LEU A 12 9.977 5.450 -9.531 1.00 0.00 C ATOM 123 CD1 LEU A 12 9.876 6.048 -8.136 1.00 0.00 C ATOM 124 CD2 LEU A 12 9.280 6.342 -10.548 1.00 0.00 C ATOM 0 H LEU A 12 10.058 4.649 -12.065 1.00 0.00 H new ATOM 0 HA LEU A 12 12.785 4.051 -11.105 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.013 5.052 -9.010 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.819 6.163 -10.351 1.00 0.00 H new ATOM 0 HG LEU A 12 9.478 4.481 -9.525 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.827 6.193 -7.877 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.338 5.372 -7.416 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.391 7.008 -8.114 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.239 6.483 -10.256 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.780 7.310 -10.586 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.320 5.873 -11.531 1.00 0.00 H new ATOM 136 N CYS A 13 12.198 2.119 -9.588 1.00 0.00 N ATOM 137 CA CYS A 13 11.909 0.838 -8.953 1.00 0.00 C ATOM 138 C CYS A 13 11.970 0.958 -7.434 1.00 0.00 C ATOM 139 O CYS A 13 12.819 1.665 -6.890 1.00 0.00 O ATOM 140 CB CYS A 13 12.896 -0.227 -9.433 1.00 0.00 C ATOM 141 SG CYS A 13 12.873 -0.504 -11.220 1.00 0.00 S ATOM 0 H CYS A 13 13.149 2.458 -9.440 1.00 0.00 H new ATOM 0 HA CYS A 13 10.899 0.540 -9.235 1.00 0.00 H new ATOM 0 HB2 CYS A 13 13.903 0.065 -9.134 1.00 0.00 H new ATOM 0 HB3 CYS A 13 12.674 -1.167 -8.928 1.00 0.00 H new ATOM 0 HG CYS A 13 13.743 -1.420 -11.528 1.00 0.00 H new ATOM 147 N VAL A 14 11.063 0.264 -6.754 1.00 0.00 N ATOM 148 CA VAL A 14 11.013 0.293 -5.297 1.00 0.00 C ATOM 149 C VAL A 14 10.745 -1.096 -4.729 1.00 0.00 C ATOM 150 O VAL A 14 10.062 -1.912 -5.349 1.00 0.00 O ATOM 151 CB VAL A 14 9.927 1.261 -4.792 1.00 0.00 C ATOM 152 CG1 VAL A 14 10.237 2.685 -5.226 1.00 0.00 C ATOM 153 CG2 VAL A 14 8.556 0.829 -5.290 1.00 0.00 C ATOM 0 H VAL A 14 10.353 -0.325 -7.189 1.00 0.00 H new ATOM 0 HA VAL A 14 11.987 0.641 -4.953 1.00 0.00 H new ATOM 0 HB VAL A 14 9.918 1.233 -3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.459 3.355 -4.860 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.200 2.989 -4.815 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.275 2.734 -6.314 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.800 1.524 -4.924 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.549 0.826 -6.380 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.335 -0.173 -4.923 1.00 0.00 H new ATOM 163 N LYS A 15 11.286 -1.359 -3.544 1.00 0.00 N ATOM 164 CA LYS A 15 11.105 -2.649 -2.889 1.00 0.00 C ATOM 165 C LYS A 15 9.926 -2.607 -1.922 1.00 0.00 C ATOM 166 O LYS A 15 9.943 -1.869 -0.937 1.00 0.00 O ATOM 167 CB LYS A 15 12.378 -3.047 -2.139 1.00 0.00 C ATOM 168 CG LYS A 15 13.405 -3.746 -3.014 1.00 0.00 C ATOM 169 CD LYS A 15 14.648 -4.120 -2.224 1.00 0.00 C ATOM 170 CE LYS A 15 15.503 -2.900 -1.918 1.00 0.00 C ATOM 171 NZ LYS A 15 15.113 -2.257 -0.633 1.00 0.00 N ATOM 0 H LYS A 15 11.854 -0.695 -3.017 1.00 0.00 H new ATOM 0 HA LYS A 15 10.896 -3.392 -3.658 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.829 -2.154 -1.706 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.112 -3.703 -1.310 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.964 -4.644 -3.447 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.682 -3.095 -3.843 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.356 -4.604 -1.292 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.235 -4.844 -2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 15 16.552 -3.194 -1.873 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.408 -2.178 -2.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.614 -1.366 -0.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.487 -2.895 -0.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.965 -2.061 -0.070 1.00 0.00 H new ATOM 185 N VAL A 16 8.902 -3.406 -2.209 1.00 0.00 N ATOM 186 CA VAL A 16 7.716 -3.462 -1.364 1.00 0.00 C ATOM 187 C VAL A 16 7.633 -4.790 -0.620 1.00 0.00 C ATOM 188 O VAL A 16 7.672 -5.857 -1.232 1.00 0.00 O ATOM 189 CB VAL A 16 6.429 -3.266 -2.188 1.00 0.00 C ATOM 190 CG1 VAL A 16 5.216 -3.749 -1.408 1.00 0.00 C ATOM 191 CG2 VAL A 16 6.270 -1.807 -2.588 1.00 0.00 C ATOM 0 H VAL A 16 8.871 -4.023 -3.021 1.00 0.00 H new ATOM 0 HA VAL A 16 7.803 -2.650 -0.642 1.00 0.00 H new ATOM 0 HB VAL A 16 6.506 -3.862 -3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.317 -3.602 -2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.330 -4.808 -1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.131 -3.183 -0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.356 -1.687 -3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.215 -1.188 -1.692 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.126 -1.499 -3.189 1.00 0.00 H new ATOM 201 N GLU A 17 7.517 -4.716 0.702 1.00 0.00 N ATOM 202 CA GLU A 17 7.429 -5.914 1.528 1.00 0.00 C ATOM 203 C GLU A 17 6.160 -5.898 2.376 1.00 0.00 C ATOM 204 O GLU A 17 5.723 -4.845 2.840 1.00 0.00 O ATOM 205 CB GLU A 17 8.658 -6.028 2.433 1.00 0.00 C ATOM 206 CG GLU A 17 8.713 -7.324 3.224 1.00 0.00 C ATOM 207 CD GLU A 17 9.709 -7.269 4.366 1.00 0.00 C ATOM 208 OE1 GLU A 17 9.548 -6.401 5.250 1.00 0.00 O ATOM 209 OE2 GLU A 17 10.648 -8.092 4.376 1.00 0.00 O ATOM 0 H GLU A 17 7.482 -3.840 1.223 1.00 0.00 H new ATOM 0 HA GLU A 17 7.393 -6.779 0.866 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.557 -5.946 1.822 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.667 -5.188 3.127 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.722 -7.545 3.621 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.978 -8.143 2.555 1.00 0.00 H new ATOM 216 N PHE A 18 5.572 -7.073 2.572 1.00 0.00 N ATOM 217 CA PHE A 18 4.352 -7.196 3.362 1.00 0.00 C ATOM 218 C PHE A 18 4.556 -8.152 4.533 1.00 0.00 C ATOM 219 O PHE A 18 5.266 -9.150 4.418 1.00 0.00 O ATOM 220 CB PHE A 18 3.198 -7.685 2.484 1.00 0.00 C ATOM 221 CG PHE A 18 2.822 -6.720 1.396 1.00 0.00 C ATOM 222 CD1 PHE A 18 3.476 -6.742 0.175 1.00 0.00 C ATOM 223 CD2 PHE A 18 1.814 -5.790 1.595 1.00 0.00 C ATOM 224 CE1 PHE A 18 3.132 -5.856 -0.828 1.00 0.00 C ATOM 225 CE2 PHE A 18 1.465 -4.902 0.595 1.00 0.00 C ATOM 226 CZ PHE A 18 2.126 -4.934 -0.618 1.00 0.00 C ATOM 0 H PHE A 18 5.920 -7.954 2.195 1.00 0.00 H new ATOM 0 HA PHE A 18 4.105 -6.211 3.759 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.474 -8.639 2.034 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.327 -7.869 3.112 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.264 -7.460 0.005 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.295 -5.759 2.542 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.650 -5.885 -1.775 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.676 -4.183 0.762 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.856 -4.239 -1.400 1.00 0.00 H new ATOM 236 N GLY A 19 3.926 -7.839 5.662 1.00 0.00 N ATOM 237 CA GLY A 19 4.051 -8.679 6.839 1.00 0.00 C ATOM 238 C GLY A 19 3.433 -10.048 6.642 1.00 0.00 C ATOM 239 O GLY A 19 3.499 -10.616 5.553 1.00 0.00 O ATOM 0 H GLY A 19 3.332 -7.019 5.782 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.106 -8.793 7.090 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.573 -8.186 7.686 1.00 0.00 H new ATOM 243 N GLY A 20 2.830 -10.582 7.700 1.00 0.00 N ATOM 244 CA GLY A 20 2.207 -11.890 7.618 1.00 0.00 C ATOM 245 C GLY A 20 0.730 -11.809 7.284 1.00 0.00 C ATOM 246 O GLY A 20 -0.042 -11.177 8.003 1.00 0.00 O ATOM 0 H GLY A 20 2.762 -10.132 8.613 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.716 -12.484 6.859 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.334 -12.410 8.568 1.00 0.00 H new ATOM 250 N GLY A 21 0.337 -12.451 6.188 1.00 0.00 N ATOM 251 CA GLY A 21 -1.055 -12.435 5.778 1.00 0.00 C ATOM 252 C GLY A 21 -1.261 -11.728 4.453 1.00 0.00 C ATOM 253 O GLY A 21 -1.890 -12.270 3.544 1.00 0.00 O ATOM 0 H GLY A 21 0.958 -12.982 5.577 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.419 -13.459 5.700 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.651 -11.942 6.546 1.00 0.00 H new ATOM 257 N ALA A 22 -0.731 -10.514 4.342 1.00 0.00 N ATOM 258 CA ALA A 22 -0.860 -9.733 3.119 1.00 0.00 C ATOM 259 C ALA A 22 -0.098 -10.383 1.969 1.00 0.00 C ATOM 260 O ALA A 22 -0.590 -10.446 0.843 1.00 0.00 O ATOM 261 CB ALA A 22 -0.366 -8.312 3.346 1.00 0.00 C ATOM 0 H ALA A 22 -0.208 -10.051 5.085 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.915 -9.700 2.848 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.468 -7.740 2.424 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.957 -7.842 4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.682 -8.335 3.645 1.00 0.00 H new ATOM 267 N GLU A 23 1.106 -10.864 2.261 1.00 0.00 N ATOM 268 CA GLU A 23 1.937 -11.508 1.250 1.00 0.00 C ATOM 269 C GLU A 23 1.090 -12.374 0.321 1.00 0.00 C ATOM 270 O GLU A 23 1.281 -12.369 -0.896 1.00 0.00 O ATOM 271 CB GLU A 23 3.019 -12.362 1.915 1.00 0.00 C ATOM 272 CG GLU A 23 2.504 -13.686 2.452 1.00 0.00 C ATOM 273 CD GLU A 23 3.533 -14.411 3.299 1.00 0.00 C ATOM 274 OE1 GLU A 23 4.524 -14.912 2.728 1.00 0.00 O ATOM 275 OE2 GLU A 23 3.346 -14.478 4.532 1.00 0.00 O ATOM 0 H GLU A 23 1.528 -10.820 3.189 1.00 0.00 H new ATOM 0 HA GLU A 23 2.414 -10.727 0.657 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.812 -12.556 1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.465 -11.796 2.733 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.608 -13.509 3.047 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.211 -14.323 1.618 1.00 0.00 H new ATOM 282 N LEU A 24 0.154 -13.115 0.903 1.00 0.00 N ATOM 283 CA LEU A 24 -0.722 -13.987 0.129 1.00 0.00 C ATOM 284 C LEU A 24 -1.446 -13.203 -0.961 1.00 0.00 C ATOM 285 O LEU A 24 -1.561 -13.662 -2.098 1.00 0.00 O ATOM 286 CB LEU A 24 -1.741 -14.664 1.047 1.00 0.00 C ATOM 287 CG LEU A 24 -1.164 -15.533 2.165 1.00 0.00 C ATOM 288 CD1 LEU A 24 -2.258 -15.952 3.135 1.00 0.00 C ATOM 289 CD2 LEU A 24 -0.466 -16.755 1.585 1.00 0.00 C ATOM 0 H LEU A 24 -0.018 -13.129 1.908 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.106 -14.750 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.363 -13.891 1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.397 -15.283 0.435 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.428 -14.945 2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.828 -16.570 3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.712 -15.065 3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.019 -16.522 2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.062 -17.362 2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.181 -17.345 1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.346 -16.435 0.932 1.00 0.00 H new ATOM 301 N LEU A 25 -1.929 -12.017 -0.608 1.00 0.00 N ATOM 302 CA LEU A 25 -2.639 -11.167 -1.557 1.00 0.00 C ATOM 303 C LEU A 25 -1.725 -10.749 -2.704 1.00 0.00 C ATOM 304 O LEU A 25 -2.177 -10.174 -3.694 1.00 0.00 O ATOM 305 CB LEU A 25 -3.187 -9.926 -0.849 1.00 0.00 C ATOM 306 CG LEU A 25 -4.520 -10.103 -0.120 1.00 0.00 C ATOM 307 CD1 LEU A 25 -4.782 -8.926 0.807 1.00 0.00 C ATOM 308 CD2 LEU A 25 -5.657 -10.261 -1.119 1.00 0.00 C ATOM 0 H LEU A 25 -1.842 -11.622 0.328 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.470 -11.740 -1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.444 -9.586 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.302 -9.132 -1.587 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.465 -11.009 0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.735 -9.070 1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.982 -8.859 1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.817 -8.005 0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.598 -10.386 -0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.714 -9.373 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.475 -11.137 -1.742 1.00 0.00 H new ATOM 320 N PHE A 26 -0.437 -11.045 -2.565 1.00 0.00 N ATOM 321 CA PHE A 26 0.541 -10.701 -3.590 1.00 0.00 C ATOM 322 C PHE A 26 1.418 -11.903 -3.930 1.00 0.00 C ATOM 323 O PHE A 26 2.503 -12.070 -3.373 1.00 0.00 O ATOM 324 CB PHE A 26 1.414 -9.535 -3.122 1.00 0.00 C ATOM 325 CG PHE A 26 0.625 -8.361 -2.617 1.00 0.00 C ATOM 326 CD1 PHE A 26 0.186 -8.318 -1.304 1.00 0.00 C ATOM 327 CD2 PHE A 26 0.323 -7.300 -3.456 1.00 0.00 C ATOM 328 CE1 PHE A 26 -0.540 -7.239 -0.835 1.00 0.00 C ATOM 329 CE2 PHE A 26 -0.403 -6.218 -2.993 1.00 0.00 C ATOM 330 CZ PHE A 26 -0.835 -6.188 -1.681 1.00 0.00 C ATOM 0 H PHE A 26 -0.046 -11.522 -1.753 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.001 -10.403 -4.488 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.078 -9.883 -2.331 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.046 -9.210 -3.949 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.414 -9.137 -0.638 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.658 -7.318 -4.482 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.876 -7.218 0.191 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.632 -5.397 -3.656 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.402 -5.344 -1.318 1.00 0.00 H new ATOM 340 N ASP A 27 0.940 -12.736 -4.847 1.00 0.00 N ATOM 341 CA ASP A 27 1.679 -13.923 -5.262 1.00 0.00 C ATOM 342 C ASP A 27 2.365 -14.581 -4.068 1.00 0.00 C ATOM 343 O ASP A 27 3.396 -15.235 -4.215 1.00 0.00 O ATOM 344 CB ASP A 27 2.717 -13.557 -6.324 1.00 0.00 C ATOM 345 CG ASP A 27 3.337 -14.780 -6.972 1.00 0.00 C ATOM 346 OD1 ASP A 27 2.749 -15.300 -7.943 1.00 0.00 O ATOM 347 OD2 ASP A 27 4.411 -15.216 -6.508 1.00 0.00 O ATOM 0 H ASP A 27 0.044 -12.612 -5.318 1.00 0.00 H new ATOM 0 HA ASP A 27 0.970 -14.633 -5.687 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.247 -12.942 -7.091 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.502 -12.953 -5.868 1.00 0.00 H new ATOM 352 N GLY A 28 1.784 -14.402 -2.886 1.00 0.00 N ATOM 353 CA GLY A 28 2.354 -14.983 -1.684 1.00 0.00 C ATOM 354 C GLY A 28 3.866 -14.889 -1.656 1.00 0.00 C ATOM 355 O GLY A 28 4.560 -15.901 -1.760 1.00 0.00 O ATOM 0 H GLY A 28 0.929 -13.865 -2.739 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.945 -14.476 -0.810 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.057 -16.029 -1.614 1.00 0.00 H new ATOM 359 N VAL A 29 4.380 -13.671 -1.515 1.00 0.00 N ATOM 360 CA VAL A 29 5.820 -13.449 -1.474 1.00 0.00 C ATOM 361 C VAL A 29 6.183 -12.383 -0.446 1.00 0.00 C ATOM 362 O VAL A 29 5.422 -11.442 -0.217 1.00 0.00 O ATOM 363 CB VAL A 29 6.362 -13.025 -2.851 1.00 0.00 C ATOM 364 CG1 VAL A 29 7.837 -12.665 -2.757 1.00 0.00 C ATOM 365 CG2 VAL A 29 6.138 -14.127 -3.875 1.00 0.00 C ATOM 0 H VAL A 29 3.820 -12.823 -1.427 1.00 0.00 H new ATOM 0 HA VAL A 29 6.278 -14.396 -1.188 1.00 0.00 H new ATOM 0 HB VAL A 29 5.817 -12.140 -3.179 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.202 -12.368 -3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.966 -11.839 -2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.401 -13.529 -2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.527 -13.809 -4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.655 -15.032 -3.555 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.071 -14.331 -3.963 1.00 0.00 H new ATOM 375 N LYS A 30 7.350 -12.535 0.170 1.00 0.00 N ATOM 376 CA LYS A 30 7.816 -11.584 1.172 1.00 0.00 C ATOM 377 C LYS A 30 8.130 -10.234 0.537 1.00 0.00 C ATOM 378 O LYS A 30 7.423 -9.251 0.760 1.00 0.00 O ATOM 379 CB LYS A 30 9.059 -12.128 1.881 1.00 0.00 C ATOM 380 CG LYS A 30 8.810 -13.419 2.641 1.00 0.00 C ATOM 381 CD LYS A 30 9.239 -14.633 1.834 1.00 0.00 C ATOM 382 CE LYS A 30 8.368 -15.841 2.138 1.00 0.00 C ATOM 383 NZ LYS A 30 7.019 -15.723 1.519 1.00 0.00 N ATOM 0 H LYS A 30 7.991 -13.308 -0.007 1.00 0.00 H new ATOM 0 HA LYS A 30 7.019 -11.445 1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.843 -12.296 1.143 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.430 -11.374 2.575 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.355 -13.397 3.585 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.751 -13.500 2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.184 -14.402 0.770 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.280 -14.869 2.055 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.858 -16.743 1.772 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.264 -15.951 3.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.728 -16.648 1.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.334 -15.410 2.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.052 -15.029 0.745 1.00 0.00 H new ATOM 397 N LYS A 31 9.195 -10.192 -0.257 1.00 0.00 N ATOM 398 CA LYS A 31 9.602 -8.962 -0.928 1.00 0.00 C ATOM 399 C LYS A 31 9.153 -8.964 -2.385 1.00 0.00 C ATOM 400 O LYS A 31 9.275 -9.972 -3.082 1.00 0.00 O ATOM 401 CB LYS A 31 11.121 -8.794 -0.851 1.00 0.00 C ATOM 402 CG LYS A 31 11.604 -8.231 0.474 1.00 0.00 C ATOM 403 CD LYS A 31 12.963 -7.565 0.335 1.00 0.00 C ATOM 404 CE LYS A 31 13.532 -7.171 1.689 1.00 0.00 C ATOM 405 NZ LYS A 31 14.863 -6.514 1.562 1.00 0.00 N ATOM 0 H LYS A 31 9.792 -10.996 -0.452 1.00 0.00 H new ATOM 0 HA LYS A 31 9.124 -8.124 -0.420 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.594 -9.761 -1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.447 -8.136 -1.656 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.880 -7.507 0.848 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.664 -9.032 1.211 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.652 -8.244 -0.167 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.873 -6.680 -0.294 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.840 -6.495 2.191 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.623 -8.058 2.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 15.217 -6.261 2.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 15.531 -7.168 1.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.772 -5.654 0.984 1.00 0.00 H new ATOM 419 N HIS A 32 8.635 -7.828 -2.842 1.00 0.00 N ATOM 420 CA HIS A 32 8.170 -7.698 -4.218 1.00 0.00 C ATOM 421 C HIS A 32 8.824 -6.501 -4.902 1.00 0.00 C ATOM 422 O HIS A 32 8.734 -5.373 -4.418 1.00 0.00 O ATOM 423 CB HIS A 32 6.649 -7.551 -4.253 1.00 0.00 C ATOM 424 CG HIS A 32 5.942 -8.403 -3.244 1.00 0.00 C ATOM 425 ND1 HIS A 32 5.373 -9.620 -3.552 1.00 0.00 N ATOM 426 CD2 HIS A 32 5.715 -8.206 -1.924 1.00 0.00 C ATOM 427 CE1 HIS A 32 4.825 -10.136 -2.466 1.00 0.00 C ATOM 428 NE2 HIS A 32 5.019 -9.297 -1.464 1.00 0.00 N ATOM 0 H HIS A 32 8.527 -6.984 -2.279 1.00 0.00 H new ATOM 0 HA HIS A 32 8.453 -8.602 -4.758 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.389 -6.507 -4.081 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.290 -7.809 -5.249 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.024 -7.351 -1.341 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.307 -11.082 -2.407 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.703 -9.437 -0.504 1.00 0.00 H new ATOM 437 N GLN A 33 9.482 -6.756 -6.028 1.00 0.00 N ATOM 438 CA GLN A 33 10.152 -5.699 -6.777 1.00 0.00 C ATOM 439 C GLN A 33 9.167 -4.959 -7.675 1.00 0.00 C ATOM 440 O GLN A 33 8.550 -5.554 -8.559 1.00 0.00 O ATOM 441 CB GLN A 33 11.289 -6.282 -7.618 1.00 0.00 C ATOM 442 CG GLN A 33 12.555 -6.557 -6.823 1.00 0.00 C ATOM 443 CD GLN A 33 13.491 -5.364 -6.785 1.00 0.00 C ATOM 444 OE1 GLN A 33 14.494 -5.325 -7.498 1.00 0.00 O ATOM 445 NE2 GLN A 33 13.166 -4.383 -5.952 1.00 0.00 N ATOM 0 H GLN A 33 9.566 -7.685 -6.442 1.00 0.00 H new ATOM 0 HA GLN A 33 10.567 -4.989 -6.061 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.950 -7.210 -8.078 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.522 -5.591 -8.428 1.00 0.00 H new ATOM 0 HG2 GLN A 33 12.286 -6.836 -5.804 1.00 0.00 H new ATOM 0 HG3 GLN A 33 13.076 -7.409 -7.260 1.00 0.00 H new ATOM 0 HE21 GLN A 33 12.325 -4.458 -5.380 1.00 0.00 H new ATOM 0 HE22 GLN A 33 13.757 -3.555 -5.884 1.00 0.00 H new ATOM 454 N VAL A 34 9.022 -3.658 -7.442 1.00 0.00 N ATOM 455 CA VAL A 34 8.112 -2.837 -8.231 1.00 0.00 C ATOM 456 C VAL A 34 8.879 -1.896 -9.153 1.00 0.00 C ATOM 457 O VAL A 34 9.930 -1.371 -8.786 1.00 0.00 O ATOM 458 CB VAL A 34 7.181 -2.006 -7.328 1.00 0.00 C ATOM 459 CG1 VAL A 34 6.161 -1.249 -8.166 1.00 0.00 C ATOM 460 CG2 VAL A 34 6.489 -2.901 -6.311 1.00 0.00 C ATOM 0 H VAL A 34 9.523 -3.150 -6.713 1.00 0.00 H new ATOM 0 HA VAL A 34 7.511 -3.519 -8.832 1.00 0.00 H new ATOM 0 HB VAL A 34 7.783 -1.277 -6.786 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.512 -0.668 -7.511 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.679 -0.579 -8.852 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.560 -1.958 -8.736 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.835 -2.298 -5.681 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.898 -3.654 -6.832 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.238 -3.393 -5.690 1.00 0.00 H new ATOM 470 N ALA A 35 8.347 -1.688 -10.353 1.00 0.00 N ATOM 471 CA ALA A 35 8.980 -0.809 -11.328 1.00 0.00 C ATOM 472 C ALA A 35 7.985 0.207 -11.879 1.00 0.00 C ATOM 473 O ALA A 35 7.287 -0.062 -12.858 1.00 0.00 O ATOM 474 CB ALA A 35 9.587 -1.625 -12.459 1.00 0.00 C ATOM 0 H ALA A 35 7.479 -2.117 -10.673 1.00 0.00 H new ATOM 0 HA ALA A 35 9.776 -0.261 -10.824 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.056 -0.955 -13.180 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.336 -2.306 -12.055 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.804 -2.200 -12.954 1.00 0.00 H new ATOM 480 N LEU A 36 7.924 1.372 -11.246 1.00 0.00 N ATOM 481 CA LEU A 36 7.013 2.429 -11.673 1.00 0.00 C ATOM 482 C LEU A 36 7.516 3.099 -12.948 1.00 0.00 C ATOM 483 O LEU A 36 8.719 3.234 -13.175 1.00 0.00 O ATOM 484 CB LEU A 36 6.853 3.471 -10.565 1.00 0.00 C ATOM 485 CG LEU A 36 6.497 2.928 -9.180 1.00 0.00 C ATOM 486 CD1 LEU A 36 6.796 3.964 -8.108 1.00 0.00 C ATOM 487 CD2 LEU A 36 5.034 2.512 -9.130 1.00 0.00 C ATOM 0 H LEU A 36 8.495 1.610 -10.435 1.00 0.00 H new ATOM 0 HA LEU A 36 6.043 1.977 -11.880 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.784 4.033 -10.485 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.079 4.177 -10.867 1.00 0.00 H new ATOM 0 HG LEU A 36 7.111 2.048 -8.987 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.537 3.560 -7.129 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.857 4.213 -8.128 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.209 4.863 -8.297 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.799 2.128 -8.137 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.403 3.374 -9.345 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.851 1.735 -9.872 1.00 0.00 H new ATOM 499 N PRO A 37 6.575 3.532 -13.800 1.00 0.00 N ATOM 500 CA PRO A 37 6.899 4.198 -15.065 1.00 0.00 C ATOM 501 C PRO A 37 7.486 5.589 -14.854 1.00 0.00 C ATOM 502 O PRO A 37 7.706 6.015 -13.721 1.00 0.00 O ATOM 503 CB PRO A 37 5.545 4.291 -15.774 1.00 0.00 C ATOM 504 CG PRO A 37 4.540 4.274 -14.674 1.00 0.00 C ATOM 505 CD PRO A 37 5.123 3.404 -13.594 1.00 0.00 C ATOM 0 HA PRO A 37 7.655 3.653 -15.630 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.469 5.204 -16.365 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.398 3.455 -16.458 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.350 5.281 -14.304 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.586 3.877 -15.023 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.827 3.743 -12.601 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.793 2.369 -13.689 1.00 0.00 H new ATOM 513 N GLY A 38 7.738 6.293 -15.953 1.00 0.00 N ATOM 514 CA GLY A 38 8.297 7.630 -15.866 1.00 0.00 C ATOM 515 C GLY A 38 7.363 8.687 -16.422 1.00 0.00 C ATOM 516 O GLY A 38 6.789 8.512 -17.496 1.00 0.00 O ATOM 0 H GLY A 38 7.565 5.962 -16.902 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.521 7.860 -14.824 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.241 7.662 -16.410 1.00 0.00 H new ATOM 520 N GLN A 39 7.211 9.784 -15.689 1.00 0.00 N ATOM 521 CA GLN A 39 6.338 10.872 -16.115 1.00 0.00 C ATOM 522 C GLN A 39 6.787 12.199 -15.510 1.00 0.00 C ATOM 523 O GLN A 39 7.718 12.241 -14.707 1.00 0.00 O ATOM 524 CB GLN A 39 4.891 10.579 -15.715 1.00 0.00 C ATOM 525 CG GLN A 39 4.761 9.885 -14.369 1.00 0.00 C ATOM 526 CD GLN A 39 3.364 9.993 -13.790 1.00 0.00 C ATOM 527 OE1 GLN A 39 2.395 10.222 -14.514 1.00 0.00 O ATOM 528 NE2 GLN A 39 3.253 9.828 -12.477 1.00 0.00 N ATOM 0 H GLN A 39 7.680 9.944 -14.798 1.00 0.00 H new ATOM 0 HA GLN A 39 6.399 10.950 -17.201 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.334 11.515 -15.687 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.430 9.956 -16.482 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.024 8.833 -14.480 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.475 10.320 -13.670 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.083 9.640 -11.915 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.338 9.889 -12.031 1.00 0.00 H new ATOM 537 N GLU A 40 6.118 13.278 -15.903 1.00 0.00 N ATOM 538 CA GLU A 40 6.450 14.606 -15.400 1.00 0.00 C ATOM 539 C GLU A 40 6.233 14.687 -13.891 1.00 0.00 C ATOM 540 O GLU A 40 6.937 15.413 -13.191 1.00 0.00 O ATOM 541 CB GLU A 40 5.605 15.669 -16.105 1.00 0.00 C ATOM 542 CG GLU A 40 4.123 15.582 -15.781 1.00 0.00 C ATOM 543 CD GLU A 40 3.369 14.672 -16.732 1.00 0.00 C ATOM 544 OE1 GLU A 40 3.163 15.071 -17.897 1.00 0.00 O ATOM 545 OE2 GLU A 40 2.987 13.561 -16.310 1.00 0.00 O ATOM 0 H GLU A 40 5.344 13.259 -16.567 1.00 0.00 H new ATOM 0 HA GLU A 40 7.504 14.792 -15.609 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.972 16.657 -15.826 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.739 15.572 -17.182 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.999 15.218 -14.761 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.688 16.581 -15.818 1.00 0.00 H new ATOM 552 N GLU A 41 5.253 13.935 -13.400 1.00 0.00 N ATOM 553 CA GLU A 41 4.942 13.922 -11.975 1.00 0.00 C ATOM 554 C GLU A 41 5.475 12.655 -11.313 1.00 0.00 C ATOM 555 O GLU A 41 5.304 11.543 -11.814 1.00 0.00 O ATOM 556 CB GLU A 41 3.431 14.027 -11.759 1.00 0.00 C ATOM 557 CG GLU A 41 2.927 15.457 -11.662 1.00 0.00 C ATOM 558 CD GLU A 41 3.562 16.370 -12.693 1.00 0.00 C ATOM 559 OE1 GLU A 41 4.784 16.610 -12.601 1.00 0.00 O ATOM 560 OE2 GLU A 41 2.836 16.844 -13.592 1.00 0.00 O ATOM 0 H GLU A 41 4.661 13.328 -13.967 1.00 0.00 H new ATOM 0 HA GLU A 41 5.428 14.783 -11.516 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.920 13.526 -12.581 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.165 13.495 -10.846 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.845 15.466 -11.791 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.132 15.844 -10.664 1.00 0.00 H new ATOM 567 N PRO A 42 6.138 12.824 -10.159 1.00 0.00 N ATOM 568 CA PRO A 42 6.709 11.706 -9.403 1.00 0.00 C ATOM 569 C PRO A 42 5.637 10.825 -8.771 1.00 0.00 C ATOM 570 O PRO A 42 4.570 11.306 -8.391 1.00 0.00 O ATOM 571 CB PRO A 42 7.540 12.399 -8.319 1.00 0.00 C ATOM 572 CG PRO A 42 6.900 13.733 -8.148 1.00 0.00 C ATOM 573 CD PRO A 42 6.379 14.121 -9.504 1.00 0.00 C ATOM 0 HA PRO A 42 7.287 11.036 -10.040 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.529 11.832 -7.388 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.583 12.496 -8.621 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.092 13.687 -7.418 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.619 14.466 -7.782 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.465 14.710 -9.430 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.102 14.722 -10.056 1.00 0.00 H new ATOM 581 N TRP A 43 5.929 9.534 -8.662 1.00 0.00 N ATOM 582 CA TRP A 43 4.988 8.586 -8.075 1.00 0.00 C ATOM 583 C TRP A 43 4.861 8.805 -6.572 1.00 0.00 C ATOM 584 O TRP A 43 5.836 8.677 -5.831 1.00 0.00 O ATOM 585 CB TRP A 43 5.437 7.151 -8.357 1.00 0.00 C ATOM 586 CG TRP A 43 4.998 6.644 -9.698 1.00 0.00 C ATOM 587 CD1 TRP A 43 5.612 6.863 -10.898 1.00 0.00 C ATOM 588 CD2 TRP A 43 3.850 5.835 -9.974 1.00 0.00 C ATOM 589 NE1 TRP A 43 4.914 6.239 -11.904 1.00 0.00 N ATOM 590 CE2 TRP A 43 3.830 5.600 -11.363 1.00 0.00 C ATOM 591 CE3 TRP A 43 2.838 5.283 -9.184 1.00 0.00 C ATOM 592 CZ2 TRP A 43 2.837 4.840 -11.975 1.00 0.00 C ATOM 593 CZ3 TRP A 43 1.853 4.529 -9.793 1.00 0.00 C ATOM 594 CH2 TRP A 43 1.859 4.313 -11.177 1.00 0.00 C ATOM 0 H TRP A 43 6.808 9.120 -8.972 1.00 0.00 H new ATOM 0 HA TRP A 43 4.012 8.751 -8.531 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.524 7.099 -8.295 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.042 6.495 -7.581 1.00 0.00 H new ATOM 0 HD1 TRP A 43 6.513 7.441 -11.036 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.163 6.250 -12.893 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.826 5.443 -8.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.839 4.672 -13.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.065 4.099 -9.192 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.076 3.718 -11.623 1.00 0.00 H new ATOM 605 N ASP A 44 3.654 9.137 -6.127 1.00 0.00 N ATOM 606 CA ASP A 44 3.399 9.373 -4.711 1.00 0.00 C ATOM 607 C ASP A 44 2.516 8.275 -4.127 1.00 0.00 C ATOM 608 O ASP A 44 1.728 7.653 -4.841 1.00 0.00 O ATOM 609 CB ASP A 44 2.737 10.737 -4.511 1.00 0.00 C ATOM 610 CG ASP A 44 3.171 11.750 -5.552 1.00 0.00 C ATOM 611 OD1 ASP A 44 4.375 11.784 -5.880 1.00 0.00 O ATOM 612 OD2 ASP A 44 2.307 12.510 -6.038 1.00 0.00 O ATOM 0 H ASP A 44 2.837 9.249 -6.727 1.00 0.00 H new ATOM 0 HA ASP A 44 4.355 9.361 -4.188 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.654 10.621 -4.551 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.981 11.114 -3.518 1.00 0.00 H new ATOM 617 N ILE A 45 2.653 8.041 -2.826 1.00 0.00 N ATOM 618 CA ILE A 45 1.868 7.017 -2.148 1.00 0.00 C ATOM 619 C ILE A 45 0.474 6.901 -2.755 1.00 0.00 C ATOM 620 O ILE A 45 0.070 5.830 -3.206 1.00 0.00 O ATOM 621 CB ILE A 45 1.737 7.315 -0.642 1.00 0.00 C ATOM 622 CG1 ILE A 45 3.121 7.445 -0.003 1.00 0.00 C ATOM 623 CG2 ILE A 45 0.931 6.223 0.045 1.00 0.00 C ATOM 624 CD1 ILE A 45 3.970 6.201 -0.142 1.00 0.00 C ATOM 0 H ILE A 45 3.300 8.547 -2.221 1.00 0.00 H new ATOM 0 HA ILE A 45 2.398 6.074 -2.279 1.00 0.00 H new ATOM 0 HB ILE A 45 1.210 8.261 -0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.645 8.285 -0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.003 7.678 1.055 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.847 6.447 1.108 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.065 6.174 -0.395 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.433 5.264 -0.085 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.937 6.365 0.334 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.467 5.362 0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.119 5.978 -1.199 1.00 0.00 H new ATOM 636 N ARG A 46 -0.256 8.012 -2.763 1.00 0.00 N ATOM 637 CA ARG A 46 -1.605 8.035 -3.316 1.00 0.00 C ATOM 638 C ARG A 46 -1.715 7.106 -4.522 1.00 0.00 C ATOM 639 O ARG A 46 -2.565 6.218 -4.558 1.00 0.00 O ATOM 640 CB ARG A 46 -1.989 9.460 -3.719 1.00 0.00 C ATOM 641 CG ARG A 46 -3.305 9.545 -4.475 1.00 0.00 C ATOM 642 CD ARG A 46 -3.340 10.751 -5.400 1.00 0.00 C ATOM 643 NE ARG A 46 -3.461 12.005 -4.660 1.00 0.00 N ATOM 644 CZ ARG A 46 -4.566 12.380 -4.026 1.00 0.00 C ATOM 645 NH1 ARG A 46 -5.640 11.603 -4.042 1.00 0.00 N ATOM 646 NH2 ARG A 46 -4.599 13.536 -3.374 1.00 0.00 N ATOM 0 H ARG A 46 0.064 8.907 -2.393 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.292 7.684 -2.546 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.054 10.077 -2.823 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.196 9.880 -4.338 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.451 8.635 -5.057 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.130 9.606 -3.765 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.432 10.772 -6.003 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.179 10.655 -6.090 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.653 12.626 -4.629 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.619 10.714 -4.542 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.487 11.894 -3.554 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.775 14.137 -3.360 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.448 13.823 -2.887 1.00 0.00 H new ATOM 660 N ASN A 47 -0.848 7.319 -5.507 1.00 0.00 N ATOM 661 CA ASN A 47 -0.848 6.502 -6.715 1.00 0.00 C ATOM 662 C ASN A 47 -0.220 5.137 -6.449 1.00 0.00 C ATOM 663 O ASN A 47 -0.771 4.103 -6.827 1.00 0.00 O ATOM 664 CB ASN A 47 -0.092 7.214 -7.838 1.00 0.00 C ATOM 665 CG ASN A 47 -0.789 8.483 -8.290 1.00 0.00 C ATOM 666 OD1 ASN A 47 -1.943 8.452 -8.716 1.00 0.00 O ATOM 667 ND2 ASN A 47 -0.088 9.607 -8.199 1.00 0.00 N ATOM 0 H ASN A 47 -0.137 8.050 -5.492 1.00 0.00 H new ATOM 0 HA ASN A 47 -1.883 6.352 -7.022 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.915 7.457 -7.497 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.013 6.538 -8.687 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.504 10.492 -8.489 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.866 9.585 -7.839 1.00 0.00 H new ATOM 674 N LEU A 48 0.937 5.143 -5.795 1.00 0.00 N ATOM 675 CA LEU A 48 1.642 3.906 -5.477 1.00 0.00 C ATOM 676 C LEU A 48 0.657 2.784 -5.162 1.00 0.00 C ATOM 677 O LEU A 48 0.754 1.686 -5.712 1.00 0.00 O ATOM 678 CB LEU A 48 2.583 4.122 -4.291 1.00 0.00 C ATOM 679 CG LEU A 48 3.321 2.882 -3.785 1.00 0.00 C ATOM 680 CD1 LEU A 48 4.384 2.449 -4.782 1.00 0.00 C ATOM 681 CD2 LEU A 48 3.943 3.151 -2.422 1.00 0.00 C ATOM 0 H LEU A 48 1.406 5.990 -5.475 1.00 0.00 H new ATOM 0 HA LEU A 48 2.228 3.616 -6.349 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.323 4.871 -4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.005 4.538 -3.466 1.00 0.00 H new ATOM 0 HG LEU A 48 2.600 2.071 -3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.898 1.565 -4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.913 2.215 -5.737 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.103 3.256 -4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.464 2.258 -2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.651 3.976 -2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.160 3.412 -1.710 1.00 0.00 H new ATOM 693 N LEU A 49 -0.290 3.067 -4.276 1.00 0.00 N ATOM 694 CA LEU A 49 -1.295 2.083 -3.889 1.00 0.00 C ATOM 695 C LEU A 49 -2.004 1.517 -5.115 1.00 0.00 C ATOM 696 O LEU A 49 -1.869 0.335 -5.433 1.00 0.00 O ATOM 697 CB LEU A 49 -2.317 2.714 -2.942 1.00 0.00 C ATOM 698 CG LEU A 49 -1.969 2.671 -1.453 1.00 0.00 C ATOM 699 CD1 LEU A 49 -1.442 1.298 -1.068 1.00 0.00 C ATOM 700 CD2 LEU A 49 -0.951 3.750 -1.113 1.00 0.00 C ATOM 0 H LEU A 49 -0.384 3.970 -3.811 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.788 1.266 -3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.457 3.755 -3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.274 2.212 -3.086 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.877 2.862 -0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.200 1.286 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.203 0.545 -1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.545 1.077 -1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.715 3.705 -0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.043 3.589 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.366 4.729 -1.352 1.00 0.00 H new ATOM 712 N VAL A 50 -2.757 2.369 -5.803 1.00 0.00 N ATOM 713 CA VAL A 50 -3.484 1.954 -6.997 1.00 0.00 C ATOM 714 C VAL A 50 -2.701 0.908 -7.782 1.00 0.00 C ATOM 715 O VAL A 50 -3.254 -0.107 -8.205 1.00 0.00 O ATOM 716 CB VAL A 50 -3.783 3.153 -7.917 1.00 0.00 C ATOM 717 CG1 VAL A 50 -4.498 2.694 -9.178 1.00 0.00 C ATOM 718 CG2 VAL A 50 -4.606 4.199 -7.178 1.00 0.00 C ATOM 0 H VAL A 50 -2.880 3.351 -5.554 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.425 1.521 -6.659 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.837 3.608 -8.210 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.701 3.555 -9.815 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.868 1.985 -9.716 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.438 2.213 -8.908 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.808 5.039 -7.843 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.549 3.758 -6.854 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.051 4.550 -6.308 1.00 0.00 H new ATOM 728 N TRP A 51 -1.412 1.163 -7.973 1.00 0.00 N ATOM 729 CA TRP A 51 -0.551 0.243 -8.708 1.00 0.00 C ATOM 730 C TRP A 51 -0.414 -1.082 -7.966 1.00 0.00 C ATOM 731 O TRP A 51 -0.670 -2.148 -8.528 1.00 0.00 O ATOM 732 CB TRP A 51 0.829 0.866 -8.925 1.00 0.00 C ATOM 733 CG TRP A 51 1.715 0.050 -9.816 1.00 0.00 C ATOM 734 CD1 TRP A 51 1.961 0.261 -11.143 1.00 0.00 C ATOM 735 CD2 TRP A 51 2.470 -1.109 -9.446 1.00 0.00 C ATOM 736 NE1 TRP A 51 2.824 -0.696 -11.619 1.00 0.00 N ATOM 737 CE2 TRP A 51 3.152 -1.548 -10.598 1.00 0.00 C ATOM 738 CE3 TRP A 51 2.639 -1.817 -8.253 1.00 0.00 C ATOM 739 CZ2 TRP A 51 3.987 -2.662 -10.589 1.00 0.00 C ATOM 740 CZ3 TRP A 51 3.467 -2.923 -8.246 1.00 0.00 C ATOM 741 CH2 TRP A 51 4.133 -3.336 -9.408 1.00 0.00 C ATOM 0 H TRP A 51 -0.940 1.999 -7.629 1.00 0.00 H new ATOM 0 HA TRP A 51 -1.010 0.050 -9.678 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.707 1.859 -9.357 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.317 0.996 -7.959 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.539 1.062 -11.731 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.165 -0.761 -12.578 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.131 -1.505 -7.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.501 -2.983 -11.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.603 -3.479 -7.330 1.00 0.00 H new ATOM 0 HH2 TRP A 51 4.774 -4.204 -9.370 1.00 0.00 H new ATOM 752 N ILE A 52 -0.008 -1.010 -6.703 1.00 0.00 N ATOM 753 CA ILE A 52 0.162 -2.204 -5.886 1.00 0.00 C ATOM 754 C ILE A 52 -1.165 -2.931 -5.692 1.00 0.00 C ATOM 755 O ILE A 52 -1.194 -4.115 -5.356 1.00 0.00 O ATOM 756 CB ILE A 52 0.753 -1.863 -4.506 1.00 0.00 C ATOM 757 CG1 ILE A 52 2.101 -1.157 -4.665 1.00 0.00 C ATOM 758 CG2 ILE A 52 0.905 -3.124 -3.667 1.00 0.00 C ATOM 759 CD1 ILE A 52 2.627 -0.562 -3.377 1.00 0.00 C ATOM 0 H ILE A 52 0.209 -0.136 -6.223 1.00 0.00 H new ATOM 0 HA ILE A 52 0.856 -2.854 -6.419 1.00 0.00 H new ATOM 0 HB ILE A 52 0.069 -1.189 -3.991 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.831 -1.868 -5.052 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.002 -0.365 -5.408 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.324 -2.866 -2.695 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.071 -3.589 -3.530 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.571 -3.821 -4.175 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.585 -0.078 -3.565 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.917 0.173 -2.999 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.758 -1.352 -2.638 1.00 0.00 H new ATOM 771 N LYS A 53 -2.263 -2.215 -5.909 1.00 0.00 N ATOM 772 CA LYS A 53 -3.594 -2.791 -5.762 1.00 0.00 C ATOM 773 C LYS A 53 -4.019 -3.512 -7.038 1.00 0.00 C ATOM 774 O LYS A 53 -4.999 -4.257 -7.045 1.00 0.00 O ATOM 775 CB LYS A 53 -4.610 -1.699 -5.419 1.00 0.00 C ATOM 776 CG LYS A 53 -4.645 -1.343 -3.943 1.00 0.00 C ATOM 777 CD LYS A 53 -5.382 -0.037 -3.701 1.00 0.00 C ATOM 778 CE LYS A 53 -6.885 -0.208 -3.859 1.00 0.00 C ATOM 779 NZ LYS A 53 -7.543 1.054 -4.297 1.00 0.00 N ATOM 0 H LYS A 53 -2.257 -1.234 -6.188 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.561 -3.516 -4.949 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.377 -0.803 -5.995 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.602 -2.027 -5.729 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.131 -2.144 -3.386 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.627 -1.263 -3.563 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.160 0.327 -2.698 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.025 0.719 -4.401 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.087 -0.994 -4.586 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.315 -0.532 -2.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.558 1.012 -4.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.112 1.860 -3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.419 1.172 -5.323 1.00 0.00 H new ATOM 793 N LYS A 54 -3.275 -3.287 -8.115 1.00 0.00 N ATOM 794 CA LYS A 54 -3.571 -3.916 -9.396 1.00 0.00 C ATOM 795 C LYS A 54 -2.358 -4.676 -9.923 1.00 0.00 C ATOM 796 O LYS A 54 -2.359 -5.905 -9.976 1.00 0.00 O ATOM 797 CB LYS A 54 -4.010 -2.863 -10.416 1.00 0.00 C ATOM 798 CG LYS A 54 -5.217 -2.054 -9.975 1.00 0.00 C ATOM 799 CD LYS A 54 -6.019 -1.555 -11.165 1.00 0.00 C ATOM 800 CE LYS A 54 -7.040 -0.507 -10.749 1.00 0.00 C ATOM 801 NZ LYS A 54 -7.325 0.456 -11.849 1.00 0.00 N ATOM 0 H LYS A 54 -2.461 -2.672 -8.126 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.384 -4.626 -9.244 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.178 -2.185 -10.606 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.240 -3.357 -11.360 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.854 -2.667 -9.337 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.888 -1.205 -9.375 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.344 -1.132 -11.908 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.529 -2.394 -11.639 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.965 -1.000 -10.449 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.670 0.035 -9.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.025 1.154 -11.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.447 0.945 -12.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.702 -0.058 -12.671 1.00 0.00 H new ATOM 815 N ASN A 55 -1.325 -3.936 -10.311 1.00 0.00 N ATOM 816 CA ASN A 55 -0.105 -4.540 -10.833 1.00 0.00 C ATOM 817 C ASN A 55 0.391 -5.649 -9.910 1.00 0.00 C ATOM 818 O ASN A 55 0.651 -6.770 -10.350 1.00 0.00 O ATOM 819 CB ASN A 55 0.984 -3.478 -11.003 1.00 0.00 C ATOM 820 CG ASN A 55 0.884 -2.756 -12.332 1.00 0.00 C ATOM 821 OD1 ASN A 55 1.676 -2.997 -13.243 1.00 0.00 O ATOM 822 ND2 ASN A 55 -0.093 -1.864 -12.449 1.00 0.00 N ATOM 0 H ASN A 55 -1.308 -2.917 -10.274 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.333 -4.975 -11.806 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.911 -2.753 -10.192 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.963 -3.949 -10.921 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.210 -1.347 -13.320 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.727 -1.696 -11.668 1.00 0.00 H new ATOM 829 N LEU A 56 0.520 -5.330 -8.626 1.00 0.00 N ATOM 830 CA LEU A 56 0.984 -6.298 -7.639 1.00 0.00 C ATOM 831 C LEU A 56 -0.160 -7.195 -7.177 1.00 0.00 C ATOM 832 O LEU A 56 -0.128 -8.411 -7.370 1.00 0.00 O ATOM 833 CB LEU A 56 1.600 -5.578 -6.439 1.00 0.00 C ATOM 834 CG LEU A 56 2.714 -6.326 -5.706 1.00 0.00 C ATOM 835 CD1 LEU A 56 3.984 -6.344 -6.542 1.00 0.00 C ATOM 836 CD2 LEU A 56 2.976 -5.694 -4.347 1.00 0.00 C ATOM 0 H LEU A 56 0.309 -4.408 -8.245 1.00 0.00 H new ATOM 0 HA LEU A 56 1.744 -6.923 -8.108 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.995 -4.621 -6.779 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.806 -5.359 -5.725 1.00 0.00 H new ATOM 0 HG LEU A 56 2.392 -7.356 -5.549 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.766 -6.880 -6.004 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.788 -6.843 -7.491 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.310 -5.321 -6.731 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.772 -6.239 -3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.276 -4.655 -4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.068 -5.735 -3.746 1.00 0.00 H new ATOM 848 N LEU A 57 -1.172 -6.587 -6.567 1.00 0.00 N ATOM 849 CA LEU A 57 -2.329 -7.329 -6.079 1.00 0.00 C ATOM 850 C LEU A 57 -3.210 -7.787 -7.236 1.00 0.00 C ATOM 851 O LEU A 57 -3.532 -7.007 -8.132 1.00 0.00 O ATOM 852 CB LEU A 57 -3.143 -6.466 -5.113 1.00 0.00 C ATOM 853 CG LEU A 57 -4.495 -7.035 -4.681 1.00 0.00 C ATOM 854 CD1 LEU A 57 -4.326 -7.965 -3.490 1.00 0.00 C ATOM 855 CD2 LEU A 57 -5.465 -5.911 -4.349 1.00 0.00 C ATOM 0 H LEU A 57 -1.214 -5.582 -6.399 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.967 -8.211 -5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.543 -6.291 -4.220 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.312 -5.495 -5.579 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.907 -7.611 -5.510 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.298 -8.360 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.666 -8.789 -3.762 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.892 -7.413 -2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.422 -6.334 -4.044 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.059 -5.308 -3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.610 -5.284 -5.229 1.00 0.00 H new ATOM 867 N LYS A 58 -3.600 -9.057 -7.210 1.00 0.00 N ATOM 868 CA LYS A 58 -4.448 -9.620 -8.254 1.00 0.00 C ATOM 869 C LYS A 58 -5.820 -9.989 -7.701 1.00 0.00 C ATOM 870 O LYS A 58 -6.748 -10.275 -8.457 1.00 0.00 O ATOM 871 CB LYS A 58 -3.784 -10.854 -8.868 1.00 0.00 C ATOM 872 CG LYS A 58 -2.535 -10.538 -9.672 1.00 0.00 C ATOM 873 CD LYS A 58 -2.880 -9.934 -11.023 1.00 0.00 C ATOM 874 CE LYS A 58 -1.782 -10.188 -12.044 1.00 0.00 C ATOM 875 NZ LYS A 58 -0.480 -9.604 -11.616 1.00 0.00 N ATOM 0 H LYS A 58 -3.342 -9.717 -6.476 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.580 -8.863 -9.028 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.526 -11.551 -8.071 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.503 -11.359 -9.513 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.907 -9.845 -9.112 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.954 -11.449 -9.817 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.818 -10.357 -11.383 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.036 -8.861 -10.914 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.667 -11.261 -12.194 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.073 -9.762 -13.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.201 -9.663 -12.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.617 -8.608 -11.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.114 -10.133 -10.799 1.00 0.00 H new ATOM 889 N GLU A 59 -5.942 -9.979 -6.377 1.00 0.00 N ATOM 890 CA GLU A 59 -7.202 -10.313 -5.724 1.00 0.00 C ATOM 891 C GLU A 59 -8.047 -9.062 -5.500 1.00 0.00 C ATOM 892 O GLU A 59 -7.683 -7.969 -5.934 1.00 0.00 O ATOM 893 CB GLU A 59 -6.941 -11.012 -4.388 1.00 0.00 C ATOM 894 CG GLU A 59 -6.760 -12.515 -4.512 1.00 0.00 C ATOM 895 CD GLU A 59 -7.774 -13.149 -5.444 1.00 0.00 C ATOM 896 OE1 GLU A 59 -8.957 -12.749 -5.394 1.00 0.00 O ATOM 897 OE2 GLU A 59 -7.387 -14.045 -6.223 1.00 0.00 O ATOM 0 H GLU A 59 -5.184 -9.743 -5.736 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.752 -10.990 -6.378 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.049 -10.584 -3.932 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.773 -10.809 -3.713 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.755 -12.727 -4.876 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.845 -12.970 -3.525 1.00 0.00 H new ATOM 904 N ARG A 60 -9.176 -9.232 -4.819 1.00 0.00 N ATOM 905 CA ARG A 60 -10.073 -8.117 -4.538 1.00 0.00 C ATOM 906 C ARG A 60 -9.360 -7.034 -3.734 1.00 0.00 C ATOM 907 O ARG A 60 -8.852 -7.273 -2.638 1.00 0.00 O ATOM 908 CB ARG A 60 -11.305 -8.607 -3.775 1.00 0.00 C ATOM 909 CG ARG A 60 -12.448 -9.042 -4.677 1.00 0.00 C ATOM 910 CD ARG A 60 -13.115 -7.850 -5.345 1.00 0.00 C ATOM 911 NE ARG A 60 -14.209 -8.256 -6.223 1.00 0.00 N ATOM 912 CZ ARG A 60 -14.643 -7.525 -7.244 1.00 0.00 C ATOM 913 NH1 ARG A 60 -14.077 -6.357 -7.514 1.00 0.00 N ATOM 914 NH2 ARG A 60 -15.643 -7.962 -7.997 1.00 0.00 N ATOM 0 H ARG A 60 -9.491 -10.130 -4.452 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.389 -7.689 -5.489 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.018 -9.443 -3.138 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.655 -7.811 -3.118 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.072 -9.724 -5.439 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.185 -9.592 -4.092 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.496 -7.173 -4.581 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.374 -7.296 -5.921 1.00 0.00 H new ATOM 0 HE ARG A 60 -14.665 -9.150 -6.042 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.307 -6.018 -6.937 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.412 -5.797 -8.298 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -16.080 -8.861 -7.793 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -15.975 -7.400 -8.780 1.00 0.00 H new ATOM 928 N PRO A 61 -9.320 -5.814 -4.289 1.00 0.00 N ATOM 929 CA PRO A 61 -8.672 -4.670 -3.641 1.00 0.00 C ATOM 930 C PRO A 61 -9.435 -4.192 -2.411 1.00 0.00 C ATOM 931 O PRO A 61 -8.850 -3.985 -1.348 1.00 0.00 O ATOM 932 CB PRO A 61 -8.683 -3.593 -4.729 1.00 0.00 C ATOM 933 CG PRO A 61 -9.829 -3.955 -5.609 1.00 0.00 C ATOM 934 CD PRO A 61 -9.905 -5.457 -5.593 1.00 0.00 C ATOM 0 HA PRO A 61 -7.675 -4.918 -3.278 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.811 -2.599 -4.301 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.745 -3.582 -5.285 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.756 -3.513 -5.244 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.676 -3.583 -6.622 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.933 -5.808 -5.682 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.345 -5.897 -6.419 1.00 0.00 H new ATOM 942 N GLU A 62 -10.745 -4.020 -2.562 1.00 0.00 N ATOM 943 CA GLU A 62 -11.587 -3.566 -1.462 1.00 0.00 C ATOM 944 C GLU A 62 -11.240 -4.303 -0.171 1.00 0.00 C ATOM 945 O GLU A 62 -11.257 -3.720 0.914 1.00 0.00 O ATOM 946 CB GLU A 62 -13.064 -3.776 -1.800 1.00 0.00 C ATOM 947 CG GLU A 62 -13.452 -5.238 -1.951 1.00 0.00 C ATOM 948 CD GLU A 62 -14.598 -5.440 -2.923 1.00 0.00 C ATOM 949 OE1 GLU A 62 -14.520 -4.908 -4.050 1.00 0.00 O ATOM 950 OE2 GLU A 62 -15.573 -6.129 -2.557 1.00 0.00 O ATOM 0 H GLU A 62 -11.245 -4.188 -3.435 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.403 -2.502 -1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.675 -3.326 -1.017 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.294 -3.250 -2.727 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.587 -5.806 -2.292 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -13.732 -5.638 -0.977 1.00 0.00 H new ATOM 957 N LEU A 63 -10.927 -5.588 -0.297 1.00 0.00 N ATOM 958 CA LEU A 63 -10.576 -6.406 0.859 1.00 0.00 C ATOM 959 C LEU A 63 -9.288 -5.910 1.507 1.00 0.00 C ATOM 960 O LEU A 63 -9.254 -5.620 2.703 1.00 0.00 O ATOM 961 CB LEU A 63 -10.420 -7.870 0.444 1.00 0.00 C ATOM 962 CG LEU A 63 -11.693 -8.718 0.482 1.00 0.00 C ATOM 963 CD1 LEU A 63 -12.863 -7.950 -0.113 1.00 0.00 C ATOM 964 CD2 LEU A 63 -11.482 -10.030 -0.259 1.00 0.00 C ATOM 0 H LEU A 63 -10.909 -6.086 -1.187 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.382 -6.325 1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.018 -7.899 -0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.679 -8.334 1.094 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.925 -8.945 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.760 -8.568 -0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -13.029 -7.038 0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.640 -7.693 -1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.398 -10.620 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.225 -9.824 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.672 -10.587 0.211 1.00 0.00 H new ATOM 976 N PHE A 64 -8.229 -5.813 0.709 1.00 0.00 N ATOM 977 CA PHE A 64 -6.938 -5.350 1.204 1.00 0.00 C ATOM 978 C PHE A 64 -6.968 -3.850 1.482 1.00 0.00 C ATOM 979 O PHE A 64 -6.810 -3.416 2.624 1.00 0.00 O ATOM 980 CB PHE A 64 -5.836 -5.671 0.193 1.00 0.00 C ATOM 981 CG PHE A 64 -4.456 -5.335 0.684 1.00 0.00 C ATOM 982 CD1 PHE A 64 -3.958 -5.914 1.840 1.00 0.00 C ATOM 983 CD2 PHE A 64 -3.658 -4.441 -0.011 1.00 0.00 C ATOM 984 CE1 PHE A 64 -2.689 -5.606 2.294 1.00 0.00 C ATOM 985 CE2 PHE A 64 -2.388 -4.130 0.438 1.00 0.00 C ATOM 986 CZ PHE A 64 -1.903 -4.714 1.591 1.00 0.00 C ATOM 0 H PHE A 64 -8.240 -6.049 -0.283 1.00 0.00 H new ATOM 0 HA PHE A 64 -6.727 -5.870 2.138 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -5.877 -6.732 -0.053 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.029 -5.122 -0.729 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.568 -6.614 2.392 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.032 -3.982 -0.914 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.313 -6.062 3.198 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.776 -3.431 -0.113 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.911 -4.474 1.943 1.00 0.00 H new ATOM 996 N ILE A 65 -7.171 -3.063 0.431 1.00 0.00 N ATOM 997 CA ILE A 65 -7.223 -1.613 0.561 1.00 0.00 C ATOM 998 C ILE A 65 -8.481 -1.046 -0.088 1.00 0.00 C ATOM 999 O ILE A 65 -9.000 -1.608 -1.052 1.00 0.00 O ATOM 1000 CB ILE A 65 -5.987 -0.946 -0.073 1.00 0.00 C ATOM 1001 CG1 ILE A 65 -4.729 -1.292 0.725 1.00 0.00 C ATOM 1002 CG2 ILE A 65 -6.178 0.561 -0.146 1.00 0.00 C ATOM 1003 CD1 ILE A 65 -3.443 -0.982 -0.009 1.00 0.00 C ATOM 0 H ILE A 65 -7.302 -3.406 -0.521 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.238 -1.393 1.629 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.867 -1.326 -1.087 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.743 -0.742 1.666 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.748 -2.353 0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.297 1.018 -0.596 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.054 0.788 -0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.320 0.959 0.859 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.593 -1.253 0.617 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.407 -1.553 -0.937 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.402 0.083 -0.236 1.00 0.00 H new ATOM 1015 N GLN A 66 -8.965 0.070 0.446 1.00 0.00 N ATOM 1016 CA GLN A 66 -10.162 0.713 -0.082 1.00 0.00 C ATOM 1017 C GLN A 66 -9.837 2.095 -0.640 1.00 0.00 C ATOM 1018 O GLN A 66 -9.616 3.043 0.112 1.00 0.00 O ATOM 1019 CB GLN A 66 -11.228 0.829 1.009 1.00 0.00 C ATOM 1020 CG GLN A 66 -12.639 0.988 0.466 1.00 0.00 C ATOM 1021 CD GLN A 66 -12.976 2.426 0.128 1.00 0.00 C ATOM 1022 OE1 GLN A 66 -12.620 2.926 -0.940 1.00 0.00 O ATOM 1023 NE2 GLN A 66 -13.667 3.102 1.039 1.00 0.00 N ATOM 0 H GLN A 66 -8.547 0.548 1.244 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.548 0.095 -0.893 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.188 -0.059 1.640 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.994 1.683 1.645 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.752 0.373 -0.427 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -13.351 0.615 1.202 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -13.942 2.649 1.911 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.923 4.074 0.867 1.00 0.00 H new ATOM 1032 N GLY A 67 -9.809 2.201 -1.966 1.00 0.00 N ATOM 1033 CA GLY A 67 -9.509 3.470 -2.602 1.00 0.00 C ATOM 1034 C GLY A 67 -8.020 3.742 -2.681 1.00 0.00 C ATOM 1035 O GLY A 67 -7.209 2.920 -2.253 1.00 0.00 O ATOM 0 H GLY A 67 -9.989 1.431 -2.610 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.930 3.477 -3.607 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.993 4.274 -2.048 1.00 0.00 H new ATOM 1039 N ASP A 68 -7.659 4.896 -3.231 1.00 0.00 N ATOM 1040 CA ASP A 68 -6.257 5.273 -3.365 1.00 0.00 C ATOM 1041 C ASP A 68 -5.556 5.252 -2.010 1.00 0.00 C ATOM 1042 O ASP A 68 -4.331 5.152 -1.935 1.00 0.00 O ATOM 1043 CB ASP A 68 -6.139 6.663 -3.992 1.00 0.00 C ATOM 1044 CG ASP A 68 -7.207 7.616 -3.494 1.00 0.00 C ATOM 1045 OD1 ASP A 68 -7.029 8.185 -2.397 1.00 0.00 O ATOM 1046 OD2 ASP A 68 -8.222 7.792 -4.201 1.00 0.00 O ATOM 0 H ASP A 68 -8.318 5.586 -3.591 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.772 4.546 -4.016 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.155 7.076 -3.769 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.211 6.576 -5.076 1.00 0.00 H new ATOM 1051 N SER A 69 -6.341 5.347 -0.942 1.00 0.00 N ATOM 1052 CA SER A 69 -5.796 5.344 0.410 1.00 0.00 C ATOM 1053 C SER A 69 -5.895 3.954 1.033 1.00 0.00 C ATOM 1054 O SER A 69 -6.825 3.199 0.749 1.00 0.00 O ATOM 1055 CB SER A 69 -6.534 6.360 1.284 1.00 0.00 C ATOM 1056 OG SER A 69 -7.927 6.341 1.021 1.00 0.00 O ATOM 0 H SER A 69 -7.357 5.427 -0.987 1.00 0.00 H new ATOM 0 HA SER A 69 -4.744 5.623 0.351 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.356 6.137 2.336 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.139 7.359 1.099 1.00 0.00 H new ATOM 0 HG SER A 69 -8.377 6.997 1.593 1.00 0.00 H new ATOM 1062 N VAL A 70 -4.929 3.623 1.884 1.00 0.00 N ATOM 1063 CA VAL A 70 -4.906 2.326 2.548 1.00 0.00 C ATOM 1064 C VAL A 70 -5.976 2.244 3.631 1.00 0.00 C ATOM 1065 O VAL A 70 -6.217 3.211 4.354 1.00 0.00 O ATOM 1066 CB VAL A 70 -3.530 2.042 3.179 1.00 0.00 C ATOM 1067 CG1 VAL A 70 -2.452 1.989 2.107 1.00 0.00 C ATOM 1068 CG2 VAL A 70 -3.199 3.092 4.228 1.00 0.00 C ATOM 0 H VAL A 70 -4.152 4.236 2.130 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.108 1.576 1.783 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.568 1.070 3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.487 1.787 2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.685 1.197 1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.411 2.945 1.585 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.223 2.876 4.664 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.179 4.077 3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.957 3.076 5.011 1.00 0.00 H new ATOM 1078 N ARG A 71 -6.615 1.084 3.738 1.00 0.00 N ATOM 1079 CA ARG A 71 -7.660 0.876 4.733 1.00 0.00 C ATOM 1080 C ARG A 71 -7.198 1.339 6.112 1.00 0.00 C ATOM 1081 O ARG A 71 -6.006 1.496 6.373 1.00 0.00 O ATOM 1082 CB ARG A 71 -8.058 -0.600 4.786 1.00 0.00 C ATOM 1083 CG ARG A 71 -9.188 -0.961 3.836 1.00 0.00 C ATOM 1084 CD ARG A 71 -9.862 -2.262 4.241 1.00 0.00 C ATOM 1085 NE ARG A 71 -8.900 -3.252 4.718 1.00 0.00 N ATOM 1086 CZ ARG A 71 -9.245 -4.443 5.194 1.00 0.00 C ATOM 1087 NH1 ARG A 71 -10.523 -4.791 5.255 1.00 0.00 N ATOM 1088 NH2 ARG A 71 -8.311 -5.289 5.610 1.00 0.00 N ATOM 0 H ARG A 71 -6.427 0.274 3.148 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.527 1.469 4.441 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.187 -1.211 4.550 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.356 -0.851 5.804 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.924 -0.157 3.823 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.797 -1.052 2.822 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.595 -2.062 5.023 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -10.408 -2.668 3.389 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.908 -3.016 4.684 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.244 -4.144 4.936 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.785 -5.706 5.621 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.327 -5.025 5.564 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.577 -6.203 5.975 1.00 0.00 H new ATOM 1102 N PRO A 72 -8.164 1.563 7.015 1.00 0.00 N ATOM 1103 CA PRO A 72 -7.880 2.011 8.382 1.00 0.00 C ATOM 1104 C PRO A 72 -7.212 0.927 9.221 1.00 0.00 C ATOM 1105 O PRO A 72 -6.959 1.115 10.410 1.00 0.00 O ATOM 1106 CB PRO A 72 -9.266 2.340 8.942 1.00 0.00 C ATOM 1107 CG PRO A 72 -10.205 1.499 8.148 1.00 0.00 C ATOM 1108 CD PRO A 72 -9.607 1.395 6.773 1.00 0.00 C ATOM 0 HA PRO A 72 -7.186 2.852 8.399 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.329 2.108 10.005 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -9.495 3.400 8.833 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -10.322 0.513 8.598 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.196 1.951 8.109 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.828 0.433 6.311 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.995 2.165 6.107 1.00 0.00 H new ATOM 1116 N GLY A 73 -6.927 -0.210 8.592 1.00 0.00 N ATOM 1117 CA GLY A 73 -6.290 -1.307 9.296 1.00 0.00 C ATOM 1118 C GLY A 73 -4.886 -1.581 8.794 1.00 0.00 C ATOM 1119 O GLY A 73 -4.033 -2.057 9.544 1.00 0.00 O ATOM 0 H GLY A 73 -7.126 -0.390 7.608 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.254 -1.079 10.361 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.895 -2.207 9.183 1.00 0.00 H new ATOM 1123 N ILE A 74 -4.645 -1.280 7.523 1.00 0.00 N ATOM 1124 CA ILE A 74 -3.334 -1.497 6.922 1.00 0.00 C ATOM 1125 C ILE A 74 -2.354 -0.402 7.330 1.00 0.00 C ATOM 1126 O ILE A 74 -2.587 0.781 7.078 1.00 0.00 O ATOM 1127 CB ILE A 74 -3.421 -1.545 5.385 1.00 0.00 C ATOM 1128 CG1 ILE A 74 -4.573 -2.451 4.946 1.00 0.00 C ATOM 1129 CG2 ILE A 74 -2.104 -2.030 4.796 1.00 0.00 C ATOM 1130 CD1 ILE A 74 -4.345 -3.914 5.259 1.00 0.00 C ATOM 0 H ILE A 74 -5.340 -0.885 6.889 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.974 -2.458 7.288 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.614 -0.538 5.014 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.490 -2.122 5.435 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.725 -2.337 3.873 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.180 -2.059 3.709 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.303 -1.349 5.086 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.884 -3.030 5.171 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.202 -4.496 4.920 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.446 -4.260 4.748 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.223 -4.041 6.335 1.00 0.00 H new ATOM 1142 N LEU A 75 -1.257 -0.804 7.962 1.00 0.00 N ATOM 1143 CA LEU A 75 -0.239 0.142 8.404 1.00 0.00 C ATOM 1144 C LEU A 75 0.989 0.083 7.501 1.00 0.00 C ATOM 1145 O LEU A 75 1.688 -0.929 7.452 1.00 0.00 O ATOM 1146 CB LEU A 75 0.163 -0.150 9.851 1.00 0.00 C ATOM 1147 CG LEU A 75 -0.925 0.058 10.905 1.00 0.00 C ATOM 1148 CD1 LEU A 75 -0.501 -0.543 12.236 1.00 0.00 C ATOM 1149 CD2 LEU A 75 -1.238 1.539 11.063 1.00 0.00 C ATOM 0 H LEU A 75 -1.050 -1.779 8.180 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.661 1.145 8.346 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.506 -1.183 9.910 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.013 0.483 10.106 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.829 -0.451 10.571 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.288 -0.385 12.974 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.327 -1.612 12.114 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.417 -0.063 12.576 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.014 1.668 11.817 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.338 2.070 11.374 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.586 1.941 10.111 1.00 0.00 H new ATOM 1161 N VAL A 76 1.247 1.176 6.790 1.00 0.00 N ATOM 1162 CA VAL A 76 2.393 1.250 5.891 1.00 0.00 C ATOM 1163 C VAL A 76 3.576 1.936 6.564 1.00 0.00 C ATOM 1164 O VAL A 76 3.403 2.739 7.482 1.00 0.00 O ATOM 1165 CB VAL A 76 2.043 2.008 4.597 1.00 0.00 C ATOM 1166 CG1 VAL A 76 0.845 1.369 3.911 1.00 0.00 C ATOM 1167 CG2 VAL A 76 1.777 3.476 4.895 1.00 0.00 C ATOM 0 H VAL A 76 0.678 2.022 6.819 1.00 0.00 H new ATOM 0 HA VAL A 76 2.665 0.225 5.641 1.00 0.00 H new ATOM 0 HB VAL A 76 2.894 1.947 3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.613 1.918 2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.078 0.334 3.662 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.015 1.397 4.580 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.531 3.996 3.969 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.943 3.561 5.591 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.666 3.924 5.338 1.00 0.00 H new ATOM 1177 N LEU A 77 4.780 1.614 6.103 1.00 0.00 N ATOM 1178 CA LEU A 77 5.994 2.200 6.660 1.00 0.00 C ATOM 1179 C LEU A 77 7.021 2.470 5.565 1.00 0.00 C ATOM 1180 O LEU A 77 7.429 1.557 4.845 1.00 0.00 O ATOM 1181 CB LEU A 77 6.593 1.272 7.719 1.00 0.00 C ATOM 1182 CG LEU A 77 6.099 1.481 9.151 1.00 0.00 C ATOM 1183 CD1 LEU A 77 6.131 0.171 9.923 1.00 0.00 C ATOM 1184 CD2 LEU A 77 6.938 2.537 9.855 1.00 0.00 C ATOM 0 H LEU A 77 4.941 0.951 5.345 1.00 0.00 H new ATOM 0 HA LEU A 77 5.729 3.149 7.126 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.384 0.242 7.431 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.676 1.393 7.708 1.00 0.00 H new ATOM 0 HG LEU A 77 5.067 1.831 9.112 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.776 0.339 10.940 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.488 -0.558 9.430 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.152 -0.209 9.953 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.573 2.673 10.873 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.979 2.215 9.883 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.864 3.480 9.314 1.00 0.00 H new ATOM 1196 N ILE A 78 7.435 3.726 5.446 1.00 0.00 N ATOM 1197 CA ILE A 78 8.417 4.114 4.441 1.00 0.00 C ATOM 1198 C ILE A 78 9.830 4.094 5.015 1.00 0.00 C ATOM 1199 O ILE A 78 10.133 4.809 5.969 1.00 0.00 O ATOM 1200 CB ILE A 78 8.123 5.518 3.879 1.00 0.00 C ATOM 1201 CG1 ILE A 78 6.667 5.613 3.420 1.00 0.00 C ATOM 1202 CG2 ILE A 78 9.068 5.838 2.731 1.00 0.00 C ATOM 1203 CD1 ILE A 78 6.110 7.019 3.462 1.00 0.00 C ATOM 0 H ILE A 78 7.106 4.493 6.033 1.00 0.00 H new ATOM 0 HA ILE A 78 8.346 3.386 3.633 1.00 0.00 H new ATOM 0 HB ILE A 78 8.283 6.250 4.670 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.590 5.231 2.402 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.053 4.969 4.050 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.847 6.833 2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 78 10.097 5.807 3.088 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.937 5.103 1.936 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.074 7.010 3.123 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.155 7.398 4.483 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.699 7.664 2.810 1.00 0.00 H new ATOM 1215 N ASN A 79 10.691 3.271 4.425 1.00 0.00 N ATOM 1216 CA ASN A 79 12.072 3.159 4.877 1.00 0.00 C ATOM 1217 C ASN A 79 12.143 3.097 6.400 1.00 0.00 C ATOM 1218 O ASN A 79 12.949 3.788 7.023 1.00 0.00 O ATOM 1219 CB ASN A 79 12.896 4.342 4.365 1.00 0.00 C ATOM 1220 CG ASN A 79 13.328 4.165 2.922 1.00 0.00 C ATOM 1221 OD1 ASN A 79 13.361 3.048 2.405 1.00 0.00 O ATOM 1222 ND2 ASN A 79 13.660 5.270 2.265 1.00 0.00 N ATOM 0 H ASN A 79 10.456 2.672 3.633 1.00 0.00 H new ATOM 0 HA ASN A 79 12.486 2.235 4.474 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.309 5.256 4.456 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.778 4.465 4.993 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.958 5.214 1.291 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.617 6.175 2.734 1.00 0.00 H new ATOM 1229 N ASP A 80 11.295 2.263 6.992 1.00 0.00 N ATOM 1230 CA ASP A 80 11.262 2.108 8.442 1.00 0.00 C ATOM 1231 C ASP A 80 10.866 3.416 9.119 1.00 0.00 C ATOM 1232 O ASP A 80 11.569 3.909 10.001 1.00 0.00 O ATOM 1233 CB ASP A 80 12.626 1.645 8.958 1.00 0.00 C ATOM 1234 CG ASP A 80 13.027 0.294 8.401 1.00 0.00 C ATOM 1235 OD1 ASP A 80 12.364 -0.708 8.740 1.00 0.00 O ATOM 1236 OD2 ASP A 80 14.006 0.238 7.627 1.00 0.00 O ATOM 0 H ASP A 80 10.621 1.684 6.490 1.00 0.00 H new ATOM 0 HA ASP A 80 10.515 1.353 8.685 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.382 2.384 8.691 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.601 1.593 10.046 1.00 0.00 H new ATOM 1241 N ALA A 81 9.735 3.975 8.700 1.00 0.00 N ATOM 1242 CA ALA A 81 9.244 5.225 9.266 1.00 0.00 C ATOM 1243 C ALA A 81 7.769 5.433 8.942 1.00 0.00 C ATOM 1244 O ALA A 81 7.364 5.370 7.781 1.00 0.00 O ATOM 1245 CB ALA A 81 10.069 6.396 8.754 1.00 0.00 C ATOM 0 H ALA A 81 9.141 3.581 7.970 1.00 0.00 H new ATOM 0 HA ALA A 81 9.346 5.169 10.350 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.691 7.323 9.185 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.111 6.260 9.042 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.996 6.445 7.668 1.00 0.00 H new ATOM 1251 N ASP A 82 6.970 5.679 9.975 1.00 0.00 N ATOM 1252 CA ASP A 82 5.539 5.897 9.800 1.00 0.00 C ATOM 1253 C ASP A 82 5.274 6.887 8.670 1.00 0.00 C ATOM 1254 O ASP A 82 5.798 8.000 8.671 1.00 0.00 O ATOM 1255 CB ASP A 82 4.916 6.409 11.099 1.00 0.00 C ATOM 1256 CG ASP A 82 5.416 5.656 12.317 1.00 0.00 C ATOM 1257 OD1 ASP A 82 5.627 4.430 12.210 1.00 0.00 O ATOM 1258 OD2 ASP A 82 5.596 6.293 13.376 1.00 0.00 O ATOM 0 H ASP A 82 7.289 5.732 10.942 1.00 0.00 H new ATOM 0 HA ASP A 82 5.081 4.943 9.538 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.141 7.469 11.213 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.831 6.318 11.039 1.00 0.00 H new ATOM 1263 N TRP A 83 4.459 6.472 7.706 1.00 0.00 N ATOM 1264 CA TRP A 83 4.125 7.323 6.569 1.00 0.00 C ATOM 1265 C TRP A 83 3.245 8.490 7.002 1.00 0.00 C ATOM 1266 O TRP A 83 3.079 9.460 6.263 1.00 0.00 O ATOM 1267 CB TRP A 83 3.417 6.507 5.487 1.00 0.00 C ATOM 1268 CG TRP A 83 2.011 6.134 5.849 1.00 0.00 C ATOM 1269 CD1 TRP A 83 1.560 5.730 7.073 1.00 0.00 C ATOM 1270 CD2 TRP A 83 0.875 6.128 4.978 1.00 0.00 C ATOM 1271 NE1 TRP A 83 0.211 5.474 7.016 1.00 0.00 N ATOM 1272 CE2 TRP A 83 -0.233 5.711 5.742 1.00 0.00 C ATOM 1273 CE3 TRP A 83 0.684 6.436 3.628 1.00 0.00 C ATOM 1274 CZ2 TRP A 83 -1.510 5.594 5.199 1.00 0.00 C ATOM 1275 CZ3 TRP A 83 -0.583 6.319 3.091 1.00 0.00 C ATOM 1276 CH2 TRP A 83 -1.667 5.902 3.875 1.00 0.00 C ATOM 0 H TRP A 83 4.018 5.553 7.689 1.00 0.00 H new ATOM 0 HA TRP A 83 5.053 7.725 6.162 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.406 7.079 4.559 1.00 0.00 H new ATOM 0 HB3 TRP A 83 3.988 5.599 5.295 1.00 0.00 H new ATOM 0 HD1 TRP A 83 2.173 5.627 7.956 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -0.366 5.159 7.796 1.00 0.00 H new ATOM 0 HE3 TRP A 83 1.513 6.760 3.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -2.347 5.272 5.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.741 6.553 2.049 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.646 5.822 3.425 1.00 0.00 H new ATOM 1287 N GLU A 84 2.684 8.389 8.203 1.00 0.00 N ATOM 1288 CA GLU A 84 1.820 9.438 8.732 1.00 0.00 C ATOM 1289 C GLU A 84 2.645 10.612 9.251 1.00 0.00 C ATOM 1290 O GLU A 84 2.200 11.760 9.219 1.00 0.00 O ATOM 1291 CB GLU A 84 0.937 8.885 9.853 1.00 0.00 C ATOM 1292 CG GLU A 84 0.040 7.740 9.413 1.00 0.00 C ATOM 1293 CD GLU A 84 -0.974 7.354 10.472 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -2.057 7.974 10.511 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -0.684 6.430 11.261 1.00 0.00 O ATOM 0 H GLU A 84 2.812 7.593 8.827 1.00 0.00 H new ATOM 0 HA GLU A 84 1.185 9.794 7.921 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.573 8.544 10.670 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.317 9.691 10.246 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.484 8.024 8.500 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.655 6.873 9.171 1.00 0.00 H new ATOM 1302 N LEU A 85 3.848 10.316 9.730 1.00 0.00 N ATOM 1303 CA LEU A 85 4.736 11.346 10.258 1.00 0.00 C ATOM 1304 C LEU A 85 5.357 12.160 9.128 1.00 0.00 C ATOM 1305 O LEU A 85 5.770 13.303 9.326 1.00 0.00 O ATOM 1306 CB LEU A 85 5.837 10.710 11.108 1.00 0.00 C ATOM 1307 CG LEU A 85 5.516 10.523 12.592 1.00 0.00 C ATOM 1308 CD1 LEU A 85 4.276 9.660 12.764 1.00 0.00 C ATOM 1309 CD2 LEU A 85 6.702 9.907 13.320 1.00 0.00 C ATOM 0 H LEU A 85 4.231 9.371 9.764 1.00 0.00 H new ATOM 0 HA LEU A 85 4.145 12.016 10.882 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.079 9.736 10.684 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.733 11.325 11.025 1.00 0.00 H new ATOM 0 HG LEU A 85 5.316 11.502 13.028 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.062 9.537 13.826 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.428 10.140 12.276 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.448 8.683 12.313 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.456 9.781 14.374 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.933 8.936 12.883 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.568 10.563 13.225 1.00 0.00 H new ATOM 1321 N LEU A 86 5.417 11.566 7.941 1.00 0.00 N ATOM 1322 CA LEU A 86 5.985 12.237 6.777 1.00 0.00 C ATOM 1323 C LEU A 86 4.885 12.768 5.864 1.00 0.00 C ATOM 1324 O LEU A 86 4.766 13.975 5.655 1.00 0.00 O ATOM 1325 CB LEU A 86 6.889 11.278 6.001 1.00 0.00 C ATOM 1326 CG LEU A 86 7.885 10.472 6.835 1.00 0.00 C ATOM 1327 CD1 LEU A 86 8.182 9.137 6.170 1.00 0.00 C ATOM 1328 CD2 LEU A 86 9.168 11.262 7.045 1.00 0.00 C ATOM 0 H LEU A 86 5.079 10.621 7.759 1.00 0.00 H new ATOM 0 HA LEU A 86 6.578 13.081 7.129 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.258 10.580 5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.446 11.854 5.262 1.00 0.00 H new ATOM 0 HG LEU A 86 7.438 10.277 7.810 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.893 8.578 6.778 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.259 8.566 6.073 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.608 9.310 5.181 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.865 10.672 7.641 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.618 11.488 6.078 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.941 12.192 7.567 1.00 0.00 H new ATOM 1340 N GLY A 87 4.081 11.857 5.323 1.00 0.00 N ATOM 1341 CA GLY A 87 2.999 12.253 4.440 1.00 0.00 C ATOM 1342 C GLY A 87 2.240 11.065 3.884 1.00 0.00 C ATOM 1343 O GLY A 87 2.608 10.517 2.846 1.00 0.00 O ATOM 0 H GLY A 87 4.160 10.852 5.480 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.309 12.899 4.983 1.00 0.00 H new ATOM 0 HA3 GLY A 87 3.403 12.840 3.615 1.00 0.00 H new ATOM 1347 N GLU A 88 1.178 10.666 4.578 1.00 0.00 N ATOM 1348 CA GLU A 88 0.368 9.533 4.148 1.00 0.00 C ATOM 1349 C GLU A 88 0.289 9.467 2.625 1.00 0.00 C ATOM 1350 O GLU A 88 0.945 8.638 1.993 1.00 0.00 O ATOM 1351 CB GLU A 88 -1.040 9.631 4.739 1.00 0.00 C ATOM 1352 CG GLU A 88 -1.072 9.531 6.255 1.00 0.00 C ATOM 1353 CD GLU A 88 -0.833 10.866 6.933 1.00 0.00 C ATOM 1354 OE1 GLU A 88 -0.623 11.866 6.214 1.00 0.00 O ATOM 1355 OE2 GLU A 88 -0.856 10.911 8.180 1.00 0.00 O ATOM 0 H GLU A 88 0.859 11.110 5.439 1.00 0.00 H new ATOM 0 HA GLU A 88 0.844 8.621 4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.487 10.578 4.436 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.658 8.838 4.318 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.038 9.136 6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.315 8.820 6.585 1.00 0.00 H new ATOM 1362 N LEU A 89 -0.520 10.345 2.043 1.00 0.00 N ATOM 1363 CA LEU A 89 -0.686 10.388 0.594 1.00 0.00 C ATOM 1364 C LEU A 89 -0.028 11.633 0.007 1.00 0.00 C ATOM 1365 O LEU A 89 -0.426 12.116 -1.054 1.00 0.00 O ATOM 1366 CB LEU A 89 -2.172 10.363 0.231 1.00 0.00 C ATOM 1367 CG LEU A 89 -2.983 9.200 0.802 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -4.473 9.485 0.697 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -2.635 7.904 0.085 1.00 0.00 C ATOM 0 H LEU A 89 -1.071 11.036 2.551 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.200 9.509 0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.624 11.295 0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.260 10.342 -0.855 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.729 9.089 1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.034 8.646 1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.711 10.390 1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.744 9.624 -0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.222 7.087 0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.860 8.004 -0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.574 7.691 0.213 1.00 0.00 H new ATOM 1381 N ASP A 90 0.981 12.146 0.702 1.00 0.00 N ATOM 1382 CA ASP A 90 1.697 13.332 0.248 1.00 0.00 C ATOM 1383 C ASP A 90 3.158 13.006 -0.046 1.00 0.00 C ATOM 1384 O ASP A 90 3.825 13.721 -0.794 1.00 0.00 O ATOM 1385 CB ASP A 90 1.610 14.440 1.299 1.00 0.00 C ATOM 1386 CG ASP A 90 1.962 15.802 0.735 1.00 0.00 C ATOM 1387 OD1 ASP A 90 3.168 16.112 0.639 1.00 0.00 O ATOM 1388 OD2 ASP A 90 1.031 16.559 0.389 1.00 0.00 O ATOM 0 H ASP A 90 1.322 11.759 1.582 1.00 0.00 H new ATOM 0 HA ASP A 90 1.229 13.678 -0.673 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.600 14.470 1.709 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.282 14.207 2.125 1.00 0.00 H new ATOM 1393 N TYR A 91 3.648 11.925 0.549 1.00 0.00 N ATOM 1394 CA TYR A 91 5.031 11.506 0.354 1.00 0.00 C ATOM 1395 C TYR A 91 5.256 11.016 -1.073 1.00 0.00 C ATOM 1396 O TYR A 91 4.604 10.076 -1.527 1.00 0.00 O ATOM 1397 CB TYR A 91 5.397 10.402 1.348 1.00 0.00 C ATOM 1398 CG TYR A 91 6.870 10.064 1.362 1.00 0.00 C ATOM 1399 CD1 TYR A 91 7.451 9.359 0.315 1.00 0.00 C ATOM 1400 CD2 TYR A 91 7.681 10.448 2.422 1.00 0.00 C ATOM 1401 CE1 TYR A 91 8.797 9.047 0.323 1.00 0.00 C ATOM 1402 CE2 TYR A 91 9.028 10.141 2.439 1.00 0.00 C ATOM 1403 CZ TYR A 91 9.581 9.441 1.387 1.00 0.00 C ATOM 1404 OH TYR A 91 10.922 9.132 1.401 1.00 0.00 O ATOM 0 H TYR A 91 3.108 11.323 1.171 1.00 0.00 H new ATOM 0 HA TYR A 91 5.673 12.370 0.528 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.094 10.711 2.349 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.829 9.504 1.106 1.00 0.00 H new ATOM 0 HD1 TYR A 91 6.840 9.049 -0.520 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.251 10.996 3.247 1.00 0.00 H new ATOM 0 HE1 TYR A 91 9.232 8.498 -0.499 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.644 10.447 3.271 1.00 0.00 H new ATOM 0 HH TYR A 91 11.330 9.483 2.220 1.00 0.00 H new ATOM 1414 N GLN A 92 6.184 11.660 -1.774 1.00 0.00 N ATOM 1415 CA GLN A 92 6.495 11.290 -3.149 1.00 0.00 C ATOM 1416 C GLN A 92 7.754 10.431 -3.210 1.00 0.00 C ATOM 1417 O GLN A 92 8.862 10.918 -2.981 1.00 0.00 O ATOM 1418 CB GLN A 92 6.676 12.543 -4.008 1.00 0.00 C ATOM 1419 CG GLN A 92 5.579 13.577 -3.814 1.00 0.00 C ATOM 1420 CD GLN A 92 5.702 14.745 -4.773 1.00 0.00 C ATOM 1421 OE1 GLN A 92 6.803 15.211 -5.064 1.00 0.00 O ATOM 1422 NE2 GLN A 92 4.568 15.224 -5.271 1.00 0.00 N ATOM 0 H GLN A 92 6.733 12.440 -1.412 1.00 0.00 H new ATOM 0 HA GLN A 92 5.661 10.708 -3.540 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.638 12.998 -3.774 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.708 12.252 -5.058 1.00 0.00 H new ATOM 0 HG2 GLN A 92 4.608 13.101 -3.950 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.612 13.948 -2.790 1.00 0.00 H new ATOM 0 HE21 GLN A 92 3.677 14.807 -5.002 1.00 0.00 H new ATOM 0 HE22 GLN A 92 4.588 16.009 -5.922 1.00 0.00 H new ATOM 1431 N LEU A 93 7.577 9.152 -3.520 1.00 0.00 N ATOM 1432 CA LEU A 93 8.699 8.224 -3.611 1.00 0.00 C ATOM 1433 C LEU A 93 9.665 8.645 -4.713 1.00 0.00 C ATOM 1434 O LEU A 93 9.247 9.112 -5.772 1.00 0.00 O ATOM 1435 CB LEU A 93 8.193 6.805 -3.874 1.00 0.00 C ATOM 1436 CG LEU A 93 7.320 6.190 -2.780 1.00 0.00 C ATOM 1437 CD1 LEU A 93 6.996 4.740 -3.108 1.00 0.00 C ATOM 1438 CD2 LEU A 93 8.010 6.291 -1.427 1.00 0.00 C ATOM 0 H LEU A 93 6.667 8.733 -3.713 1.00 0.00 H new ATOM 0 HA LEU A 93 9.232 8.242 -2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.625 6.810 -4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 93 9.055 6.157 -4.030 1.00 0.00 H new ATOM 0 HG LEU A 93 6.385 6.748 -2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.374 4.319 -2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 93 6.460 4.692 -4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.921 4.169 -3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.374 5.848 -0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.960 5.758 -1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 93 8.190 7.339 -1.188 1.00 0.00 H new ATOM 1450 N GLN A 94 10.958 8.473 -4.457 1.00 0.00 N ATOM 1451 CA GLN A 94 11.983 8.834 -5.430 1.00 0.00 C ATOM 1452 C GLN A 94 12.404 7.620 -6.252 1.00 0.00 C ATOM 1453 O GLN A 94 12.030 7.488 -7.418 1.00 0.00 O ATOM 1454 CB GLN A 94 13.200 9.431 -4.721 1.00 0.00 C ATOM 1455 CG GLN A 94 12.951 10.816 -4.147 1.00 0.00 C ATOM 1456 CD GLN A 94 13.195 11.920 -5.158 1.00 0.00 C ATOM 1457 OE1 GLN A 94 12.348 12.198 -6.007 1.00 0.00 O ATOM 1458 NE2 GLN A 94 14.357 12.556 -5.070 1.00 0.00 N ATOM 0 H GLN A 94 11.320 8.087 -3.585 1.00 0.00 H new ATOM 0 HA GLN A 94 11.562 9.579 -6.105 1.00 0.00 H new ATOM 0 HB2 GLN A 94 13.505 8.763 -3.916 1.00 0.00 H new ATOM 0 HB3 GLN A 94 14.031 9.482 -5.425 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.923 10.877 -3.789 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.599 10.969 -3.284 1.00 0.00 H new ATOM 0 HE21 GLN A 94 15.030 12.292 -4.350 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.577 13.309 -5.722 1.00 0.00 H new ATOM 1467 N ASP A 95 13.184 6.737 -5.639 1.00 0.00 N ATOM 1468 CA ASP A 95 13.656 5.534 -6.315 1.00 0.00 C ATOM 1469 C ASP A 95 14.240 4.542 -5.313 1.00 0.00 C ATOM 1470 O ASP A 95 14.576 4.909 -4.188 1.00 0.00 O ATOM 1471 CB ASP A 95 14.705 5.893 -7.368 1.00 0.00 C ATOM 1472 CG ASP A 95 16.022 6.320 -6.751 1.00 0.00 C ATOM 1473 OD1 ASP A 95 16.037 7.342 -6.033 1.00 0.00 O ATOM 1474 OD2 ASP A 95 17.039 5.633 -6.986 1.00 0.00 O ATOM 0 H ASP A 95 13.503 6.831 -4.675 1.00 0.00 H new ATOM 0 HA ASP A 95 12.804 5.066 -6.808 1.00 0.00 H new ATOM 0 HB2 ASP A 95 14.873 5.034 -8.017 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.324 6.698 -7.997 1.00 0.00 H new ATOM 1479 N GLN A 96 14.356 3.286 -5.732 1.00 0.00 N ATOM 1480 CA GLN A 96 14.898 2.242 -4.870 1.00 0.00 C ATOM 1481 C GLN A 96 14.388 2.395 -3.442 1.00 0.00 C ATOM 1482 O GLN A 96 15.040 1.967 -2.489 1.00 0.00 O ATOM 1483 CB GLN A 96 16.428 2.282 -4.885 1.00 0.00 C ATOM 1484 CG GLN A 96 17.044 1.561 -6.073 1.00 0.00 C ATOM 1485 CD GLN A 96 16.881 0.056 -5.991 1.00 0.00 C ATOM 1486 OE1 GLN A 96 17.665 -0.629 -5.334 1.00 0.00 O ATOM 1487 NE2 GLN A 96 15.861 -0.467 -6.660 1.00 0.00 N ATOM 0 H GLN A 96 14.082 2.967 -6.661 1.00 0.00 H new ATOM 0 HA GLN A 96 14.563 1.279 -5.254 1.00 0.00 H new ATOM 0 HB2 GLN A 96 16.756 3.321 -4.892 1.00 0.00 H new ATOM 0 HB3 GLN A 96 16.804 1.835 -3.965 1.00 0.00 H new ATOM 0 HG2 GLN A 96 16.583 1.923 -6.992 1.00 0.00 H new ATOM 0 HG3 GLN A 96 18.105 1.805 -6.131 1.00 0.00 H new ATOM 0 HE21 GLN A 96 15.236 0.139 -7.192 1.00 0.00 H new ATOM 0 HE22 GLN A 96 15.702 -1.474 -6.642 1.00 0.00 H new ATOM 1496 N ASP A 97 13.218 3.009 -3.300 1.00 0.00 N ATOM 1497 CA ASP A 97 12.619 3.219 -1.987 1.00 0.00 C ATOM 1498 C ASP A 97 12.009 1.925 -1.455 1.00 0.00 C ATOM 1499 O ASP A 97 11.611 1.052 -2.226 1.00 0.00 O ATOM 1500 CB ASP A 97 11.550 4.310 -2.058 1.00 0.00 C ATOM 1501 CG ASP A 97 11.378 5.040 -0.741 1.00 0.00 C ATOM 1502 OD1 ASP A 97 11.008 4.386 0.256 1.00 0.00 O ATOM 1503 OD2 ASP A 97 11.614 6.266 -0.707 1.00 0.00 O ATOM 0 H ASP A 97 12.666 3.370 -4.078 1.00 0.00 H new ATOM 0 HA ASP A 97 13.406 3.537 -1.303 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.818 5.026 -2.835 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.599 3.864 -2.350 1.00 0.00 H new ATOM 1508 N SER A 98 11.940 1.809 -0.133 1.00 0.00 N ATOM 1509 CA SER A 98 11.384 0.620 0.502 1.00 0.00 C ATOM 1510 C SER A 98 10.028 0.926 1.133 1.00 0.00 C ATOM 1511 O SER A 98 9.906 1.829 1.961 1.00 0.00 O ATOM 1512 CB SER A 98 12.345 0.086 1.566 1.00 0.00 C ATOM 1513 OG SER A 98 11.699 -0.843 2.417 1.00 0.00 O ATOM 0 H SER A 98 12.262 2.524 0.519 1.00 0.00 H new ATOM 0 HA SER A 98 11.246 -0.141 -0.266 1.00 0.00 H new ATOM 0 HB2 SER A 98 13.198 -0.391 1.083 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.735 0.915 2.157 1.00 0.00 H new ATOM 0 HG SER A 98 12.335 -1.170 3.087 1.00 0.00 H new ATOM 1519 N ILE A 99 9.013 0.166 0.736 1.00 0.00 N ATOM 1520 CA ILE A 99 7.667 0.354 1.263 1.00 0.00 C ATOM 1521 C ILE A 99 7.165 -0.911 1.952 1.00 0.00 C ATOM 1522 O ILE A 99 7.124 -1.985 1.350 1.00 0.00 O ATOM 1523 CB ILE A 99 6.677 0.746 0.150 1.00 0.00 C ATOM 1524 CG1 ILE A 99 7.365 1.644 -0.881 1.00 0.00 C ATOM 1525 CG2 ILE A 99 5.464 1.446 0.744 1.00 0.00 C ATOM 1526 CD1 ILE A 99 7.880 2.943 -0.303 1.00 0.00 C ATOM 0 H ILE A 99 9.097 -0.585 0.051 1.00 0.00 H new ATOM 0 HA ILE A 99 7.723 1.164 1.991 1.00 0.00 H new ATOM 0 HB ILE A 99 6.340 -0.160 -0.353 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.197 1.099 -1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.662 1.866 -1.684 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.773 1.717 -0.054 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.964 0.777 1.444 1.00 0.00 H new ATOM 0 HG23 ILE A 99 5.784 2.346 1.268 1.00 0.00 H new ATOM 0 HD11 ILE A 99 8.355 3.528 -1.090 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.049 3.509 0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.608 2.730 0.480 1.00 0.00 H new ATOM 1538 N LEU A 100 6.782 -0.776 3.217 1.00 0.00 N ATOM 1539 CA LEU A 100 6.280 -1.908 3.989 1.00 0.00 C ATOM 1540 C LEU A 100 4.801 -1.731 4.314 1.00 0.00 C ATOM 1541 O LEU A 100 4.285 -0.613 4.321 1.00 0.00 O ATOM 1542 CB LEU A 100 7.083 -2.066 5.281 1.00 0.00 C ATOM 1543 CG LEU A 100 6.604 -3.155 6.240 1.00 0.00 C ATOM 1544 CD1 LEU A 100 6.841 -4.534 5.644 1.00 0.00 C ATOM 1545 CD2 LEU A 100 7.303 -3.027 7.586 1.00 0.00 C ATOM 0 H LEU A 100 6.809 0.105 3.730 1.00 0.00 H new ATOM 0 HA LEU A 100 6.395 -2.808 3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.120 -2.273 5.017 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.072 -1.113 5.810 1.00 0.00 H new ATOM 0 HG LEU A 100 5.533 -3.028 6.396 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.494 -5.296 6.341 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.294 -4.624 4.706 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.906 -4.671 5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.949 -3.811 8.256 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.380 -3.126 7.448 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.081 -2.052 8.020 1.00 0.00 H new ATOM 1557 N PHE A 101 4.123 -2.841 4.587 1.00 0.00 N ATOM 1558 CA PHE A 101 2.703 -2.809 4.915 1.00 0.00 C ATOM 1559 C PHE A 101 2.361 -3.870 5.957 1.00 0.00 C ATOM 1560 O PHE A 101 2.939 -4.957 5.964 1.00 0.00 O ATOM 1561 CB PHE A 101 1.861 -3.026 3.656 1.00 0.00 C ATOM 1562 CG PHE A 101 2.124 -2.013 2.578 1.00 0.00 C ATOM 1563 CD1 PHE A 101 3.360 -1.950 1.954 1.00 0.00 C ATOM 1564 CD2 PHE A 101 1.135 -1.124 2.188 1.00 0.00 C ATOM 1565 CE1 PHE A 101 3.604 -1.019 0.963 1.00 0.00 C ATOM 1566 CE2 PHE A 101 1.374 -0.191 1.197 1.00 0.00 C ATOM 1567 CZ PHE A 101 2.610 -0.139 0.583 1.00 0.00 C ATOM 0 H PHE A 101 4.535 -3.774 4.587 1.00 0.00 H new ATOM 0 HA PHE A 101 2.475 -1.828 5.332 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.060 -4.023 3.263 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.805 -2.994 3.924 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.141 -2.636 2.246 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.166 -1.161 2.664 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.572 -0.979 0.486 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.595 0.497 0.903 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.799 0.588 -0.193 1.00 0.00 H new ATOM 1577 N ILE A 102 1.419 -3.546 6.836 1.00 0.00 N ATOM 1578 CA ILE A 102 1.000 -4.470 7.882 1.00 0.00 C ATOM 1579 C ILE A 102 -0.516 -4.627 7.902 1.00 0.00 C ATOM 1580 O ILE A 102 -1.251 -3.646 8.014 1.00 0.00 O ATOM 1581 CB ILE A 102 1.474 -4.002 9.271 1.00 0.00 C ATOM 1582 CG1 ILE A 102 2.985 -4.200 9.411 1.00 0.00 C ATOM 1583 CG2 ILE A 102 0.732 -4.753 10.365 1.00 0.00 C ATOM 1584 CD1 ILE A 102 3.797 -3.021 8.924 1.00 0.00 C ATOM 0 H ILE A 102 0.931 -2.650 6.844 1.00 0.00 H new ATOM 0 HA ILE A 102 1.460 -5.432 7.655 1.00 0.00 H new ATOM 0 HB ILE A 102 1.254 -2.939 9.375 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.223 -4.387 10.458 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.280 -5.089 8.853 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.078 -4.411 11.340 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -0.338 -4.566 10.274 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.923 -5.822 10.267 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.859 -3.232 9.054 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.588 -2.846 7.869 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.531 -2.134 9.498 1.00 0.00 H new ATOM 1596 N SER A 103 -0.979 -5.869 7.794 1.00 0.00 N ATOM 1597 CA SER A 103 -2.408 -6.155 7.797 1.00 0.00 C ATOM 1598 C SER A 103 -2.888 -6.511 9.202 1.00 0.00 C ATOM 1599 O SER A 103 -2.622 -7.603 9.704 1.00 0.00 O ATOM 1600 CB SER A 103 -2.723 -7.301 6.834 1.00 0.00 C ATOM 1601 OG SER A 103 -4.120 -7.441 6.646 1.00 0.00 O ATOM 0 H SER A 103 -0.384 -6.693 7.703 1.00 0.00 H new ATOM 0 HA SER A 103 -2.933 -5.258 7.468 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.241 -7.116 5.874 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.311 -8.231 7.224 1.00 0.00 H new ATOM 0 HG SER A 103 -4.294 -8.179 6.025 1.00 0.00 H new ATOM 1607 N THR A 104 -3.598 -5.579 9.831 1.00 0.00 N ATOM 1608 CA THR A 104 -4.114 -5.791 11.177 1.00 0.00 C ATOM 1609 C THR A 104 -5.372 -6.652 11.154 1.00 0.00 C ATOM 1610 O THR A 104 -5.436 -7.695 11.807 1.00 0.00 O ATOM 1611 CB THR A 104 -4.433 -4.455 11.874 1.00 0.00 C ATOM 1612 OG1 THR A 104 -5.218 -3.626 11.009 1.00 0.00 O ATOM 1613 CG2 THR A 104 -3.154 -3.727 12.259 1.00 0.00 C ATOM 0 H THR A 104 -3.828 -4.670 9.429 1.00 0.00 H new ATOM 0 HA THR A 104 -3.334 -6.307 11.737 1.00 0.00 H new ATOM 0 HB THR A 104 -4.998 -4.670 12.781 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.730 -2.798 10.817 1.00 0.00 H new ATOM 0 HG21 THR A 104 -3.404 -2.786 12.750 1.00 0.00 H new ATOM 0 HG22 THR A 104 -2.573 -4.348 12.940 1.00 0.00 H new ATOM 0 HG23 THR A 104 -2.567 -3.524 11.363 1.00 0.00 H new ATOM 1621 N LEU A 105 -6.372 -6.210 10.398 1.00 0.00 N ATOM 1622 CA LEU A 105 -7.629 -6.941 10.289 1.00 0.00 C ATOM 1623 C LEU A 105 -7.377 -8.423 10.026 1.00 0.00 C ATOM 1624 O LEU A 105 -6.898 -8.801 8.957 1.00 0.00 O ATOM 1625 CB LEU A 105 -8.489 -6.352 9.170 1.00 0.00 C ATOM 1626 CG LEU A 105 -9.438 -5.224 9.575 1.00 0.00 C ATOM 1627 CD1 LEU A 105 -8.690 -3.902 9.659 1.00 0.00 C ATOM 1628 CD2 LEU A 105 -10.596 -5.122 8.594 1.00 0.00 C ATOM 0 H LEU A 105 -6.336 -5.349 9.852 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.160 -6.844 11.236 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.827 -5.980 8.388 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -9.079 -7.156 8.731 1.00 0.00 H new ATOM 0 HG LEU A 105 -9.843 -5.453 10.561 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.381 -3.111 9.948 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.896 -3.980 10.402 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -8.256 -3.667 8.687 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -11.261 -4.314 8.899 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -10.210 -4.917 7.595 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -11.148 -6.062 8.584 1.00 0.00 H new ATOM 1640 N HIS A 106 -7.705 -9.257 11.008 1.00 0.00 N ATOM 1641 CA HIS A 106 -7.517 -10.698 10.882 1.00 0.00 C ATOM 1642 C HIS A 106 -8.592 -11.310 9.989 1.00 0.00 C ATOM 1643 O HIS A 106 -9.530 -10.630 9.575 1.00 0.00 O ATOM 1644 CB HIS A 106 -7.543 -11.360 12.260 1.00 0.00 C ATOM 1645 CG HIS A 106 -6.223 -11.325 12.966 1.00 0.00 C ATOM 1646 ND1 HIS A 106 -5.517 -10.161 13.184 1.00 0.00 N ATOM 1647 CD2 HIS A 106 -5.481 -12.320 13.506 1.00 0.00 C ATOM 1648 CE1 HIS A 106 -4.397 -10.441 13.827 1.00 0.00 C ATOM 1649 NE2 HIS A 106 -4.351 -11.745 14.035 1.00 0.00 N ATOM 0 H HIS A 106 -8.102 -8.960 11.899 1.00 0.00 H new ATOM 0 HA HIS A 106 -6.545 -10.874 10.422 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -8.290 -10.863 12.879 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -7.859 -12.397 12.150 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -5.813 -9.229 12.894 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -5.731 -13.371 13.519 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -3.647 -9.726 14.131 1.00 0.00 H new ATOM 1658 N GLY A 107 -8.449 -12.599 9.697 1.00 0.00 N ATOM 1659 CA GLY A 107 -9.415 -13.281 8.855 1.00 0.00 C ATOM 1660 C GLY A 107 -10.320 -14.206 9.644 1.00 0.00 C ATOM 1661 O GLY A 107 -10.274 -14.232 10.873 1.00 0.00 O ATOM 0 H GLY A 107 -7.681 -13.183 10.028 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.022 -12.542 8.332 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -8.887 -13.856 8.094 1.00 0.00 H new ATOM 1665 N GLY A 108 -11.148 -14.967 8.935 1.00 0.00 N ATOM 1666 CA GLY A 108 -12.058 -15.886 9.593 1.00 0.00 C ATOM 1667 C GLY A 108 -11.634 -17.333 9.437 1.00 0.00 C ATOM 1668 O GLY A 108 -11.084 -17.718 8.406 1.00 0.00 O ATOM 0 H GLY A 108 -11.205 -14.963 7.917 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -12.115 -15.640 10.653 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -13.059 -15.758 9.182 1.00 0.00 H new ATOM 1672 N SER A 109 -11.890 -18.137 10.465 1.00 0.00 N ATOM 1673 CA SER A 109 -11.526 -19.549 10.440 1.00 0.00 C ATOM 1674 C SER A 109 -12.770 -20.430 10.392 1.00 0.00 C ATOM 1675 O SER A 109 -13.266 -20.880 11.424 1.00 0.00 O ATOM 1676 CB SER A 109 -10.684 -19.902 11.668 1.00 0.00 C ATOM 1677 OG SER A 109 -10.334 -21.275 11.668 1.00 0.00 O ATOM 0 H SER A 109 -12.348 -17.835 11.325 1.00 0.00 H new ATOM 0 HA SER A 109 -10.938 -19.731 9.540 1.00 0.00 H new ATOM 0 HB2 SER A 109 -9.780 -19.293 11.680 1.00 0.00 H new ATOM 0 HB3 SER A 109 -11.240 -19.665 12.575 1.00 0.00 H new ATOM 0 HG SER A 109 -9.795 -21.475 12.462 1.00 0.00 H new ATOM 1683 N GLY A 110 -13.270 -20.672 9.184 1.00 0.00 N ATOM 1684 CA GLY A 110 -14.453 -21.498 9.022 1.00 0.00 C ATOM 1685 C GLY A 110 -14.521 -22.618 10.041 1.00 0.00 C ATOM 1686 O GLY A 110 -13.905 -23.672 9.878 1.00 0.00 O ATOM 0 H GLY A 110 -12.877 -20.311 8.315 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -15.343 -20.875 9.112 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -14.461 -21.923 8.018 1.00 0.00 H new ATOM 1690 N PRO A 111 -15.284 -22.395 11.121 1.00 0.00 N ATOM 1691 CA PRO A 111 -15.447 -23.383 12.192 1.00 0.00 C ATOM 1692 C PRO A 111 -16.261 -24.593 11.746 1.00 0.00 C ATOM 1693 O PRO A 111 -17.352 -24.449 11.194 1.00 0.00 O ATOM 1694 CB PRO A 111 -16.195 -22.607 13.279 1.00 0.00 C ATOM 1695 CG PRO A 111 -16.921 -21.532 12.546 1.00 0.00 C ATOM 1696 CD PRO A 111 -16.046 -21.162 11.380 1.00 0.00 C ATOM 0 HA PRO A 111 -14.490 -23.790 12.520 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -16.886 -23.252 13.822 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -15.506 -22.190 14.013 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -17.896 -21.881 12.207 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -17.097 -20.671 13.190 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -16.636 -20.865 10.513 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -15.389 -20.326 11.620 1.00 0.00 H new ATOM 1704 N SER A 112 -15.724 -25.784 11.990 1.00 0.00 N ATOM 1705 CA SER A 112 -16.400 -27.019 11.610 1.00 0.00 C ATOM 1706 C SER A 112 -16.974 -27.724 12.835 1.00 0.00 C ATOM 1707 O SER A 112 -16.440 -27.608 13.938 1.00 0.00 O ATOM 1708 CB SER A 112 -15.431 -27.951 10.879 1.00 0.00 C ATOM 1709 OG SER A 112 -14.443 -28.453 11.761 1.00 0.00 O ATOM 0 H SER A 112 -14.823 -25.920 12.449 1.00 0.00 H new ATOM 0 HA SER A 112 -17.222 -26.763 10.941 1.00 0.00 H new ATOM 0 HB2 SER A 112 -15.983 -28.780 10.437 1.00 0.00 H new ATOM 0 HB3 SER A 112 -14.953 -27.414 10.060 1.00 0.00 H new ATOM 0 HG SER A 112 -13.838 -29.047 11.270 1.00 0.00 H new ATOM 1715 N SER A 113 -18.065 -28.454 12.633 1.00 0.00 N ATOM 1716 CA SER A 113 -18.715 -29.175 13.721 1.00 0.00 C ATOM 1717 C SER A 113 -19.821 -30.081 13.188 1.00 0.00 C ATOM 1718 O SER A 113 -20.430 -29.796 12.158 1.00 0.00 O ATOM 1719 CB SER A 113 -19.293 -28.191 14.740 1.00 0.00 C ATOM 1720 OG SER A 113 -20.371 -27.457 14.185 1.00 0.00 O ATOM 0 H SER A 113 -18.518 -28.562 11.726 1.00 0.00 H new ATOM 0 HA SER A 113 -17.965 -29.796 14.211 1.00 0.00 H new ATOM 0 HB2 SER A 113 -19.634 -28.734 15.621 1.00 0.00 H new ATOM 0 HB3 SER A 113 -18.513 -27.505 15.070 1.00 0.00 H new ATOM 0 HG SER A 113 -20.724 -26.836 14.856 1.00 0.00 H new ATOM 1726 N GLY A 114 -20.076 -31.175 13.900 1.00 0.00 N ATOM 1727 CA GLY A 114 -21.108 -32.107 13.484 1.00 0.00 C ATOM 1728 C GLY A 114 -21.828 -32.736 14.660 1.00 0.00 C ATOM 1729 O GLY A 114 -21.227 -32.981 15.705 1.00 0.00 O ATOM 0 H GLY A 114 -19.586 -31.432 14.757 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -21.831 -31.587 12.855 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -20.660 -32.892 12.874 1.00 0.00 H new TER 1733 GLY A 114