USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 976 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 MET CE :methyl 167:sc= -0.289 (180deg=-0.899) USER MOD Set 1.2: A 35 CYS SG : rot -96:sc= 0.616 USER MOD Set 1.3: A 69 ASN : amide:sc= 0.434 K(o=0.89,f=-0.19) USER MOD Set 1.4: A 73 TYR OH : rot 30:sc= 0.131 USER MOD Set 2.1: A 11 ASN : amide:sc= 0.073 K(o=0.66,f=-3.5!) USER MOD Set 2.2: A 15 SER OG : rot 70:sc= 0.128 USER MOD Set 2.3: A 34 SER OG : rot 180:sc= 0.46 USER MOD Set 3.1: A 16 GLN : amide:sc= 1.53 K(o=5,f=-5.2) USER MOD Set 3.2: A 23 LYS NZ :NH3+ 164:sc= 1.83 (180deg=1.22) USER MOD Set 3.3: A 60 GLN : amide:sc= 1.63 K(o=5,f=-3.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 153:sc= 1.25 (180deg=0.484) USER MOD Single : A 2 LYS NZ :NH3+ -170:sc= 1.34 (180deg=1.14) USER MOD Single : A 3 LYS NZ :NH3+ -164:sc= 0.942 (180deg=0.598) USER MOD Single : A 8 CYS SG : rot 171:sc= 0.398 USER MOD Single : A 9 LYS NZ :NH3+ -178:sc= 1.24 (180deg=1.16) USER MOD Single : A 12 SER OG : rot 160:sc= 0.0184 USER MOD Single : A 13 CYS SG : rot 140:sc= 0.556 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 90:sc= 0.882 USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= 0.999 (180deg=0.831) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 140:sc= 0 USER MOD Single : A 40 SER OG : rot 130:sc= 0.695 USER MOD Single : A 43 HIS : no HD1:sc= 0.472 K(o=0.47,f=-3.4!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -179:sc= -0.788 (180deg=-0.796) USER MOD Single : A 50 MET CE :methyl -140:sc= -0.102 (180deg=-2.41) USER MOD Single : A 58 SER OG : rot 102:sc= 1.27 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -82:sc= 0.725 USER MOD Single : A 67 ASN : amide:sc= 0.728 K(o=0.73,f=-0.12) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.0102 X(o=-0.01,f=-0.01) USER MOD Single : A 92 THR OG1 : rot -36:sc= 0.191 USER MOD Single : A 93 GLN : amide:sc= 1.04 K(o=1,f=-0.17) USER MOD Single : A 100 GLN : amide:sc= 1.23 K(o=1.2,f=-0.69) USER MOD Single : A 107 GLN : amide:sc= 0.298 K(o=0.3,f=-0.66) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0873 USER MOD Single : A 114 THR OG1 : rot 73:sc= 1.23 USER MOD Single : A 118 GLN : amide:sc= 0.927 K(o=0.93,f=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 0.959 K(o=0.96,f=-0.0016) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 37:sc= 0.132 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.051 -0.192 1.489 1.00 0.00 N ATOM 2 CA MET A 1 2.534 0.087 0.108 1.00 0.00 C ATOM 3 C MET A 1 2.531 1.589 -0.197 1.00 0.00 C ATOM 4 O MET A 1 1.497 2.241 -0.078 1.00 0.00 O ATOM 5 CB MET A 1 1.753 -0.704 -0.971 1.00 0.00 C ATOM 6 CG MET A 1 2.261 -0.409 -2.395 1.00 0.00 C ATOM 7 SD MET A 1 1.560 -1.428 -3.724 1.00 0.00 S ATOM 8 CE MET A 1 2.496 -2.965 -3.497 1.00 0.00 C ATOM 0 H1 MET A 1 1.635 -1.145 1.526 1.00 0.00 H new ATOM 0 H2 MET A 1 2.849 -0.137 2.154 1.00 0.00 H new ATOM 0 H3 MET A 1 1.331 0.510 1.753 1.00 0.00 H new ATOM 0 HA MET A 1 3.565 -0.263 0.069 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.841 -1.772 -0.770 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.694 -0.454 -0.906 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.057 0.637 -2.622 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.344 -0.531 -2.404 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.180 -3.696 -4.241 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.561 -2.763 -3.615 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.310 -3.360 -2.498 1.00 0.00 H new ATOM 18 N LYS A 2 3.680 2.121 -0.641 1.00 0.00 N ATOM 19 CA LYS A 2 3.854 3.482 -1.198 1.00 0.00 C ATOM 20 C LYS A 2 4.582 3.421 -2.552 1.00 0.00 C ATOM 21 O LYS A 2 5.137 2.381 -2.910 1.00 0.00 O ATOM 22 CB LYS A 2 4.584 4.380 -0.178 1.00 0.00 C ATOM 23 CG LYS A 2 3.729 4.641 1.077 1.00 0.00 C ATOM 24 CD LYS A 2 4.461 5.510 2.110 1.00 0.00 C ATOM 25 CE LYS A 2 3.611 5.760 3.367 1.00 0.00 C ATOM 26 NZ LYS A 2 2.536 6.765 3.136 1.00 0.00 N ATOM 0 H LYS A 2 4.554 1.596 -0.623 1.00 0.00 H new ATOM 0 HA LYS A 2 2.876 3.926 -1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.522 3.908 0.114 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.838 5.330 -0.648 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.800 5.131 0.786 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.457 3.689 1.533 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.394 5.024 2.395 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.725 6.465 1.656 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.163 4.821 3.692 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.256 6.102 4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 2.102 7.024 4.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 2.943 7.613 2.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.811 6.360 2.510 1.00 0.00 H new ATOM 40 N LYS A 3 4.554 4.516 -3.317 1.00 0.00 N ATOM 41 CA LYS A 3 5.124 4.612 -4.677 1.00 0.00 C ATOM 42 C LYS A 3 6.406 5.444 -4.673 1.00 0.00 C ATOM 43 O LYS A 3 6.472 6.480 -4.015 1.00 0.00 O ATOM 44 CB LYS A 3 4.094 5.154 -5.695 1.00 0.00 C ATOM 45 CG LYS A 3 2.837 4.278 -5.885 1.00 0.00 C ATOM 46 CD LYS A 3 1.714 4.417 -4.836 1.00 0.00 C ATOM 47 CE LYS A 3 1.160 5.846 -4.789 1.00 0.00 C ATOM 48 NZ LYS A 3 0.391 6.116 -3.545 1.00 0.00 N ATOM 0 H LYS A 3 4.124 5.387 -3.005 1.00 0.00 H new ATOM 0 HA LYS A 3 5.383 3.603 -4.999 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.780 6.148 -5.376 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.587 5.269 -6.660 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.414 4.502 -6.864 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.152 3.235 -5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.908 3.721 -5.070 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.097 4.142 -3.853 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.985 6.555 -4.864 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.517 6.012 -5.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.182 6.975 -3.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.234 5.310 -3.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.050 6.253 -2.752 1.00 0.00 H new ATOM 62 N VAL A 4 7.404 5.008 -5.438 1.00 0.00 N ATOM 63 CA VAL A 4 8.698 5.709 -5.607 1.00 0.00 C ATOM 64 C VAL A 4 8.948 5.992 -7.088 1.00 0.00 C ATOM 65 O VAL A 4 8.661 5.159 -7.944 1.00 0.00 O ATOM 66 CB VAL A 4 9.882 4.974 -4.942 1.00 0.00 C ATOM 67 CG1 VAL A 4 11.143 5.845 -4.919 1.00 0.00 C ATOM 68 CG2 VAL A 4 9.576 4.522 -3.506 1.00 0.00 C ATOM 0 H VAL A 4 7.346 4.142 -5.973 1.00 0.00 H new ATOM 0 HA VAL A 4 8.627 6.660 -5.079 1.00 0.00 H new ATOM 0 HB VAL A 4 10.051 4.089 -5.555 1.00 0.00 H new ATOM 0 HG11 VAL A 4 11.956 5.296 -4.444 1.00 0.00 H new ATOM 0 HG12 VAL A 4 11.426 6.102 -5.940 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.945 6.758 -4.357 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.446 4.012 -3.092 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.340 5.392 -2.893 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.725 3.841 -3.512 1.00 0.00 H new ATOM 78 N MET A 5 9.497 7.162 -7.401 1.00 0.00 N ATOM 79 CA MET A 5 9.807 7.581 -8.769 1.00 0.00 C ATOM 80 C MET A 5 11.211 8.169 -8.833 1.00 0.00 C ATOM 81 O MET A 5 11.591 8.990 -7.999 1.00 0.00 O ATOM 82 CB MET A 5 8.727 8.554 -9.264 1.00 0.00 C ATOM 83 CG MET A 5 9.074 9.275 -10.572 1.00 0.00 C ATOM 84 SD MET A 5 9.384 8.239 -12.027 1.00 0.00 S ATOM 85 CE MET A 5 7.994 8.734 -13.079 1.00 0.00 C ATOM 0 H MET A 5 9.744 7.860 -6.700 1.00 0.00 H new ATOM 0 HA MET A 5 9.799 6.720 -9.438 1.00 0.00 H new ATOM 0 HB2 MET A 5 7.796 8.004 -9.403 1.00 0.00 H new ATOM 0 HB3 MET A 5 8.545 9.299 -8.490 1.00 0.00 H new ATOM 0 HG2 MET A 5 8.257 9.957 -10.810 1.00 0.00 H new ATOM 0 HG3 MET A 5 9.959 9.887 -10.397 1.00 0.00 H new ATOM 0 HE1 MET A 5 8.158 8.370 -14.093 1.00 0.00 H new ATOM 0 HE2 MET A 5 7.071 8.309 -12.686 1.00 0.00 H new ATOM 0 HE3 MET A 5 7.916 9.821 -13.092 1.00 0.00 H new ATOM 95 N PHE A 6 11.974 7.749 -9.836 1.00 0.00 N ATOM 96 CA PHE A 6 13.375 8.141 -10.023 1.00 0.00 C ATOM 97 C PHE A 6 13.519 9.136 -11.183 1.00 0.00 C ATOM 98 O PHE A 6 12.974 8.904 -12.257 1.00 0.00 O ATOM 99 CB PHE A 6 14.230 6.879 -10.223 1.00 0.00 C ATOM 100 CG PHE A 6 14.005 5.819 -9.161 1.00 0.00 C ATOM 101 CD1 PHE A 6 14.567 5.957 -7.879 1.00 0.00 C ATOM 102 CD2 PHE A 6 13.174 4.721 -9.441 1.00 0.00 C ATOM 103 CE1 PHE A 6 14.256 5.035 -6.864 1.00 0.00 C ATOM 104 CE2 PHE A 6 12.849 3.807 -8.423 1.00 0.00 C ATOM 105 CZ PHE A 6 13.376 3.973 -7.129 1.00 0.00 C ATOM 0 H PHE A 6 11.634 7.114 -10.558 1.00 0.00 H new ATOM 0 HA PHE A 6 13.733 8.658 -9.133 1.00 0.00 H new ATOM 0 HB2 PHE A 6 14.011 6.453 -11.202 1.00 0.00 H new ATOM 0 HB3 PHE A 6 15.283 7.160 -10.226 1.00 0.00 H new ATOM 0 HD1 PHE A 6 15.241 6.775 -7.673 1.00 0.00 H new ATOM 0 HD2 PHE A 6 12.785 4.579 -10.438 1.00 0.00 H new ATOM 0 HE1 PHE A 6 14.693 5.143 -5.882 1.00 0.00 H new ATOM 0 HE2 PHE A 6 12.193 2.975 -8.635 1.00 0.00 H new ATOM 0 HZ PHE A 6 13.105 3.286 -6.342 1.00 0.00 H new ATOM 115 N VAL A 7 14.284 10.211 -10.984 1.00 0.00 N ATOM 116 CA VAL A 7 14.675 11.211 -11.991 1.00 0.00 C ATOM 117 C VAL A 7 16.183 11.140 -12.239 1.00 0.00 C ATOM 118 O VAL A 7 16.973 11.266 -11.311 1.00 0.00 O ATOM 119 CB VAL A 7 14.186 12.633 -11.590 1.00 0.00 C ATOM 120 CG1 VAL A 7 15.053 13.776 -12.133 1.00 0.00 C ATOM 121 CG2 VAL A 7 12.782 12.864 -12.153 1.00 0.00 C ATOM 0 H VAL A 7 14.672 10.423 -10.065 1.00 0.00 H new ATOM 0 HA VAL A 7 14.183 10.983 -12.936 1.00 0.00 H new ATOM 0 HB VAL A 7 14.228 12.653 -10.501 1.00 0.00 H new ATOM 0 HG11 VAL A 7 14.642 14.731 -11.807 1.00 0.00 H new ATOM 0 HG12 VAL A 7 16.070 13.671 -11.756 1.00 0.00 H new ATOM 0 HG13 VAL A 7 15.064 13.739 -13.222 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.437 13.859 -11.873 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.807 12.781 -13.240 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.100 12.117 -11.748 1.00 0.00 H new ATOM 131 N CYS A 8 16.593 10.989 -13.499 1.00 0.00 N ATOM 132 CA CYS A 8 17.982 11.088 -13.968 1.00 0.00 C ATOM 133 C CYS A 8 18.084 12.175 -15.060 1.00 0.00 C ATOM 134 O CYS A 8 17.063 12.677 -15.523 1.00 0.00 O ATOM 135 CB CYS A 8 18.395 9.663 -14.385 1.00 0.00 C ATOM 136 SG CYS A 8 20.079 9.555 -15.063 1.00 0.00 S ATOM 0 H CYS A 8 15.940 10.785 -14.256 1.00 0.00 H new ATOM 0 HA CYS A 8 18.688 11.421 -13.207 1.00 0.00 H new ATOM 0 HB2 CYS A 8 18.319 9.005 -13.519 1.00 0.00 H new ATOM 0 HB3 CYS A 8 17.689 9.293 -15.129 1.00 0.00 H new ATOM 0 HG CYS A 8 20.411 8.306 -15.204 1.00 0.00 H new ATOM 142 N LYS A 9 19.293 12.561 -15.495 1.00 0.00 N ATOM 143 CA LYS A 9 19.471 13.688 -16.449 1.00 0.00 C ATOM 144 C LYS A 9 18.954 13.349 -17.856 1.00 0.00 C ATOM 145 O LYS A 9 18.188 14.124 -18.407 1.00 0.00 O ATOM 146 CB LYS A 9 20.938 14.193 -16.399 1.00 0.00 C ATOM 147 CG LYS A 9 21.074 15.730 -16.408 1.00 0.00 C ATOM 148 CD LYS A 9 20.725 16.460 -17.718 1.00 0.00 C ATOM 149 CE LYS A 9 21.693 16.114 -18.864 1.00 0.00 C ATOM 150 NZ LYS A 9 21.506 17.024 -20.029 1.00 0.00 N ATOM 0 H LYS A 9 20.165 12.117 -15.208 1.00 0.00 H new ATOM 0 HA LYS A 9 18.845 14.525 -16.139 1.00 0.00 H new ATOM 0 HB2 LYS A 9 21.416 13.802 -15.501 1.00 0.00 H new ATOM 0 HB3 LYS A 9 21.481 13.786 -17.252 1.00 0.00 H new ATOM 0 HG2 LYS A 9 20.438 16.130 -15.619 1.00 0.00 H new ATOM 0 HG3 LYS A 9 22.102 15.980 -16.146 1.00 0.00 H new ATOM 0 HD2 LYS A 9 19.709 16.200 -18.015 1.00 0.00 H new ATOM 0 HD3 LYS A 9 20.742 17.536 -17.546 1.00 0.00 H new ATOM 0 HE2 LYS A 9 22.721 16.184 -18.507 1.00 0.00 H new ATOM 0 HE3 LYS A 9 21.534 15.082 -19.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 22.149 16.743 -20.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 20.523 16.964 -20.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 21.715 18.002 -19.743 1.00 0.00 H new ATOM 164 N ARG A 10 19.301 12.160 -18.387 1.00 0.00 N ATOM 165 CA ARG A 10 18.783 11.619 -19.685 1.00 0.00 C ATOM 166 C ARG A 10 18.052 10.268 -19.622 1.00 0.00 C ATOM 167 O ARG A 10 17.738 9.682 -20.654 1.00 0.00 O ATOM 168 CB ARG A 10 19.828 11.758 -20.825 1.00 0.00 C ATOM 169 CG ARG A 10 20.961 10.719 -20.952 1.00 0.00 C ATOM 170 CD ARG A 10 21.963 10.709 -19.788 1.00 0.00 C ATOM 171 NE ARG A 10 23.265 10.124 -20.185 1.00 0.00 N ATOM 172 CZ ARG A 10 24.281 9.839 -19.381 1.00 0.00 C ATOM 173 NH1 ARG A 10 24.197 9.884 -18.087 1.00 0.00 N ATOM 174 NH2 ARG A 10 25.440 9.480 -19.828 1.00 0.00 N ATOM 0 H ARG A 10 19.959 11.529 -17.928 1.00 0.00 H new ATOM 0 HA ARG A 10 17.953 12.274 -19.949 1.00 0.00 H new ATOM 0 HB2 ARG A 10 19.282 11.762 -21.769 1.00 0.00 H new ATOM 0 HB3 ARG A 10 20.294 12.738 -20.722 1.00 0.00 H new ATOM 0 HG2 ARG A 10 20.517 9.727 -21.038 1.00 0.00 H new ATOM 0 HG3 ARG A 10 21.504 10.907 -21.878 1.00 0.00 H new ATOM 0 HD2 ARG A 10 22.116 11.728 -19.432 1.00 0.00 H new ATOM 0 HD3 ARG A 10 21.548 10.140 -18.956 1.00 0.00 H new ATOM 0 HE ARG A 10 23.393 9.920 -21.176 1.00 0.00 H new ATOM 0 HH11 ARG A 10 23.318 10.148 -17.642 1.00 0.00 H new ATOM 0 HH12 ARG A 10 25.010 9.655 -17.515 1.00 0.00 H new ATOM 0 HH21 ARG A 10 25.599 9.407 -20.833 1.00 0.00 H new ATOM 0 HH22 ARG A 10 26.195 9.269 -19.176 1.00 0.00 H new ATOM 188 N ASN A 11 17.782 9.778 -18.405 1.00 0.00 N ATOM 189 CA ASN A 11 17.060 8.525 -18.088 1.00 0.00 C ATOM 190 C ASN A 11 17.619 7.245 -18.749 1.00 0.00 C ATOM 191 O ASN A 11 16.880 6.300 -19.025 1.00 0.00 O ATOM 192 CB ASN A 11 15.548 8.786 -18.265 1.00 0.00 C ATOM 193 CG ASN A 11 14.650 7.691 -17.727 1.00 0.00 C ATOM 194 OD1 ASN A 11 13.807 7.172 -18.430 1.00 0.00 O ATOM 195 ND2 ASN A 11 14.788 7.321 -16.475 1.00 0.00 N ATOM 0 H ASN A 11 18.076 10.270 -17.561 1.00 0.00 H new ATOM 0 HA ASN A 11 17.239 8.267 -17.044 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.294 9.722 -17.768 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.338 8.921 -19.326 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.185 6.594 -16.089 1.00 0.00 H new ATOM 0 HD22 ASN A 11 15.498 7.760 -15.889 1.00 0.00 H new ATOM 202 N SER A 12 18.930 7.214 -18.985 1.00 0.00 N ATOM 203 CA SER A 12 19.649 6.103 -19.625 1.00 0.00 C ATOM 204 C SER A 12 20.252 5.129 -18.615 1.00 0.00 C ATOM 205 O SER A 12 20.114 3.920 -18.767 1.00 0.00 O ATOM 206 CB SER A 12 20.740 6.706 -20.511 1.00 0.00 C ATOM 207 OG SER A 12 21.491 7.585 -19.691 1.00 0.00 O ATOM 0 H SER A 12 19.546 7.986 -18.729 1.00 0.00 H new ATOM 0 HA SER A 12 18.943 5.519 -20.215 1.00 0.00 H new ATOM 0 HB2 SER A 12 21.377 5.925 -20.926 1.00 0.00 H new ATOM 0 HB3 SER A 12 20.302 7.242 -21.353 1.00 0.00 H new ATOM 0 HG SER A 12 22.367 7.745 -20.100 1.00 0.00 H new ATOM 213 N CYS A 13 20.904 5.660 -17.579 1.00 0.00 N ATOM 214 CA CYS A 13 21.519 4.929 -16.464 1.00 0.00 C ATOM 215 C CYS A 13 21.010 5.493 -15.121 1.00 0.00 C ATOM 216 O CYS A 13 20.125 6.341 -15.107 1.00 0.00 O ATOM 217 CB CYS A 13 23.048 5.004 -16.671 1.00 0.00 C ATOM 218 SG CYS A 13 23.914 3.751 -15.666 1.00 0.00 S ATOM 0 H CYS A 13 21.025 6.669 -17.488 1.00 0.00 H new ATOM 0 HA CYS A 13 21.241 3.876 -16.437 1.00 0.00 H new ATOM 0 HB2 CYS A 13 23.282 4.854 -17.725 1.00 0.00 H new ATOM 0 HB3 CYS A 13 23.405 5.998 -16.404 1.00 0.00 H new ATOM 0 HG CYS A 13 24.882 3.231 -16.361 1.00 0.00 H new ATOM 224 N ARG A 14 21.541 5.038 -13.980 1.00 0.00 N ATOM 225 CA ARG A 14 21.114 5.392 -12.596 1.00 0.00 C ATOM 226 C ARG A 14 19.651 5.045 -12.275 1.00 0.00 C ATOM 227 O ARG A 14 19.394 4.032 -11.641 1.00 0.00 O ATOM 228 CB ARG A 14 21.501 6.857 -12.247 1.00 0.00 C ATOM 229 CG ARG A 14 22.977 7.228 -12.489 1.00 0.00 C ATOM 230 CD ARG A 14 23.171 8.708 -12.120 1.00 0.00 C ATOM 231 NE ARG A 14 24.500 9.236 -12.504 1.00 0.00 N ATOM 232 CZ ARG A 14 24.787 10.501 -12.781 1.00 0.00 C ATOM 233 NH1 ARG A 14 23.923 11.459 -12.634 1.00 0.00 N ATOM 234 NH2 ARG A 14 25.964 10.831 -13.203 1.00 0.00 N ATOM 0 H ARG A 14 22.320 4.379 -13.983 1.00 0.00 H new ATOM 0 HA ARG A 14 21.678 4.743 -11.926 1.00 0.00 H new ATOM 0 HB2 ARG A 14 20.875 7.529 -12.833 1.00 0.00 H new ATOM 0 HB3 ARG A 14 21.267 7.036 -11.198 1.00 0.00 H new ATOM 0 HG2 ARG A 14 23.630 6.598 -11.886 1.00 0.00 H new ATOM 0 HG3 ARG A 14 23.245 7.059 -13.532 1.00 0.00 H new ATOM 0 HD2 ARG A 14 22.397 9.301 -12.607 1.00 0.00 H new ATOM 0 HD3 ARG A 14 23.036 8.828 -11.045 1.00 0.00 H new ATOM 0 HE ARG A 14 25.266 8.565 -12.561 1.00 0.00 H new ATOM 0 HH11 ARG A 14 22.984 11.251 -12.294 1.00 0.00 H new ATOM 0 HH12 ARG A 14 24.183 12.419 -12.858 1.00 0.00 H new ATOM 0 HH21 ARG A 14 26.681 10.116 -13.325 1.00 0.00 H new ATOM 0 HH22 ARG A 14 26.175 11.806 -13.413 1.00 0.00 H new ATOM 248 N SER A 15 18.674 5.815 -12.761 1.00 0.00 N ATOM 249 CA SER A 15 17.231 5.656 -12.455 1.00 0.00 C ATOM 250 C SER A 15 16.665 4.318 -12.938 1.00 0.00 C ATOM 251 O SER A 15 15.840 3.707 -12.270 1.00 0.00 O ATOM 252 CB SER A 15 16.469 6.838 -13.079 1.00 0.00 C ATOM 253 OG SER A 15 16.907 7.008 -14.417 1.00 0.00 O ATOM 0 H SER A 15 18.859 6.591 -13.397 1.00 0.00 H new ATOM 0 HA SER A 15 17.105 5.654 -11.372 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.396 6.651 -13.054 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.647 7.747 -12.505 1.00 0.00 H new ATOM 0 HG SER A 15 16.588 6.260 -14.963 1.00 0.00 H new ATOM 259 N GLN A 16 17.174 3.807 -14.065 1.00 0.00 N ATOM 260 CA GLN A 16 16.765 2.500 -14.617 1.00 0.00 C ATOM 261 C GLN A 16 17.248 1.333 -13.732 1.00 0.00 C ATOM 262 O GLN A 16 16.505 0.378 -13.525 1.00 0.00 O ATOM 263 CB GLN A 16 17.292 2.372 -16.064 1.00 0.00 C ATOM 264 CG GLN A 16 16.812 3.472 -17.042 1.00 0.00 C ATOM 265 CD GLN A 16 15.328 3.419 -17.395 1.00 0.00 C ATOM 266 OE1 GLN A 16 14.564 2.623 -16.877 1.00 0.00 O ATOM 267 NE2 GLN A 16 14.867 4.284 -18.263 1.00 0.00 N ATOM 0 H GLN A 16 17.881 4.284 -14.624 1.00 0.00 H new ATOM 0 HA GLN A 16 15.676 2.447 -14.630 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.382 2.382 -16.039 1.00 0.00 H new ATOM 0 HB3 GLN A 16 16.991 1.401 -16.458 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.032 4.446 -16.605 1.00 0.00 H new ATOM 0 HG3 GLN A 16 17.392 3.397 -17.962 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.500 4.954 -18.701 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.875 4.288 -18.501 1.00 0.00 H new ATOM 276 N MET A 17 18.446 1.450 -13.132 1.00 0.00 N ATOM 277 CA MET A 17 18.946 0.501 -12.116 1.00 0.00 C ATOM 278 C MET A 17 18.153 0.614 -10.807 1.00 0.00 C ATOM 279 O MET A 17 17.875 -0.397 -10.175 1.00 0.00 O ATOM 280 CB MET A 17 20.440 0.746 -11.817 1.00 0.00 C ATOM 281 CG MET A 17 21.408 0.476 -12.973 1.00 0.00 C ATOM 282 SD MET A 17 23.124 0.726 -12.445 1.00 0.00 S ATOM 283 CE MET A 17 24.000 0.071 -13.887 1.00 0.00 C ATOM 0 H MET A 17 19.098 2.207 -13.337 1.00 0.00 H new ATOM 0 HA MET A 17 18.817 -0.500 -12.527 1.00 0.00 H new ATOM 0 HB2 MET A 17 20.562 1.782 -11.501 1.00 0.00 H new ATOM 0 HB3 MET A 17 20.729 0.120 -10.973 1.00 0.00 H new ATOM 0 HG2 MET A 17 21.278 -0.545 -13.332 1.00 0.00 H new ATOM 0 HG3 MET A 17 21.179 1.139 -13.808 1.00 0.00 H new ATOM 0 HE1 MET A 17 25.075 0.150 -13.726 1.00 0.00 H new ATOM 0 HE2 MET A 17 23.731 -0.975 -14.032 1.00 0.00 H new ATOM 0 HE3 MET A 17 23.723 0.643 -14.772 1.00 0.00 H new ATOM 293 N ALA A 18 17.744 1.829 -10.420 1.00 0.00 N ATOM 294 CA ALA A 18 16.963 2.068 -9.201 1.00 0.00 C ATOM 295 C ALA A 18 15.584 1.402 -9.284 1.00 0.00 C ATOM 296 O ALA A 18 15.185 0.694 -8.362 1.00 0.00 O ATOM 297 CB ALA A 18 16.875 3.580 -8.958 1.00 0.00 C ATOM 0 H ALA A 18 17.947 2.678 -10.947 1.00 0.00 H new ATOM 0 HA ALA A 18 17.462 1.611 -8.347 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.296 3.770 -8.054 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.879 3.988 -8.839 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.387 4.057 -9.808 1.00 0.00 H new ATOM 303 N GLU A 19 14.912 1.509 -10.437 1.00 0.00 N ATOM 304 CA GLU A 19 13.693 0.733 -10.702 1.00 0.00 C ATOM 305 C GLU A 19 13.987 -0.771 -10.712 1.00 0.00 C ATOM 306 O GLU A 19 13.241 -1.521 -10.098 1.00 0.00 O ATOM 307 CB GLU A 19 13.035 1.193 -12.012 1.00 0.00 C ATOM 308 CG GLU A 19 11.554 0.780 -12.066 1.00 0.00 C ATOM 309 CD GLU A 19 10.995 0.775 -13.500 1.00 0.00 C ATOM 310 OE1 GLU A 19 10.771 1.870 -14.070 1.00 0.00 O ATOM 311 OE2 GLU A 19 10.752 -0.337 -14.034 1.00 0.00 O ATOM 0 H GLU A 19 15.191 2.125 -11.201 1.00 0.00 H new ATOM 0 HA GLU A 19 12.986 0.916 -9.893 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.117 2.276 -12.102 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.567 0.762 -12.860 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.441 -0.214 -11.632 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.967 1.464 -11.453 1.00 0.00 H new ATOM 318 N GLY A 20 15.095 -1.214 -11.317 1.00 0.00 N ATOM 319 CA GLY A 20 15.527 -2.622 -11.332 1.00 0.00 C ATOM 320 C GLY A 20 15.688 -3.248 -9.945 1.00 0.00 C ATOM 321 O GLY A 20 15.145 -4.319 -9.676 1.00 0.00 O ATOM 0 H GLY A 20 15.730 -0.595 -11.820 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.802 -3.206 -11.899 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.477 -2.692 -11.862 1.00 0.00 H new ATOM 325 N PHE A 21 16.371 -2.569 -9.023 1.00 0.00 N ATOM 326 CA PHE A 21 16.492 -3.045 -7.640 1.00 0.00 C ATOM 327 C PHE A 21 15.169 -2.953 -6.896 1.00 0.00 C ATOM 328 O PHE A 21 14.760 -3.918 -6.262 1.00 0.00 O ATOM 329 CB PHE A 21 17.613 -2.285 -6.922 1.00 0.00 C ATOM 330 CG PHE A 21 18.978 -2.717 -7.393 1.00 0.00 C ATOM 331 CD1 PHE A 21 19.383 -4.046 -7.183 1.00 0.00 C ATOM 332 CD2 PHE A 21 19.825 -1.820 -8.062 1.00 0.00 C ATOM 333 CE1 PHE A 21 20.631 -4.480 -7.643 1.00 0.00 C ATOM 334 CE2 PHE A 21 21.071 -2.258 -8.536 1.00 0.00 C ATOM 335 CZ PHE A 21 21.468 -3.593 -8.334 1.00 0.00 C ATOM 0 H PHE A 21 16.850 -1.687 -9.206 1.00 0.00 H new ATOM 0 HA PHE A 21 16.757 -4.102 -7.658 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.492 -1.215 -7.092 1.00 0.00 H new ATOM 0 HB3 PHE A 21 17.532 -2.448 -5.847 1.00 0.00 H new ATOM 0 HD1 PHE A 21 18.730 -4.733 -6.666 1.00 0.00 H new ATOM 0 HD2 PHE A 21 19.519 -0.795 -8.212 1.00 0.00 H new ATOM 0 HE1 PHE A 21 20.949 -5.497 -7.466 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.724 -1.572 -9.055 1.00 0.00 H new ATOM 0 HZ PHE A 21 22.420 -3.935 -8.712 1.00 0.00 H new ATOM 345 N ALA A 22 14.454 -1.836 -7.009 1.00 0.00 N ATOM 346 CA ALA A 22 13.202 -1.640 -6.280 1.00 0.00 C ATOM 347 C ALA A 22 12.089 -2.608 -6.728 1.00 0.00 C ATOM 348 O ALA A 22 11.420 -3.179 -5.876 1.00 0.00 O ATOM 349 CB ALA A 22 12.806 -0.168 -6.408 1.00 0.00 C ATOM 0 H ALA A 22 14.721 -1.049 -7.601 1.00 0.00 H new ATOM 0 HA ALA A 22 13.352 -1.881 -5.228 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.873 0.006 -5.872 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.591 0.458 -5.983 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.672 0.082 -7.460 1.00 0.00 H new ATOM 355 N LYS A 23 11.936 -2.877 -8.031 1.00 0.00 N ATOM 356 CA LYS A 23 10.899 -3.800 -8.551 1.00 0.00 C ATOM 357 C LYS A 23 11.127 -5.262 -8.144 1.00 0.00 C ATOM 358 O LYS A 23 10.181 -6.038 -8.047 1.00 0.00 O ATOM 359 CB LYS A 23 10.756 -3.623 -10.075 1.00 0.00 C ATOM 360 CG LYS A 23 11.889 -4.239 -10.918 1.00 0.00 C ATOM 361 CD LYS A 23 12.005 -3.625 -12.326 1.00 0.00 C ATOM 362 CE LYS A 23 10.814 -3.939 -13.241 1.00 0.00 C ATOM 363 NZ LYS A 23 10.832 -3.078 -14.459 1.00 0.00 N ATOM 0 H LYS A 23 12.522 -2.466 -8.758 1.00 0.00 H new ATOM 0 HA LYS A 23 9.952 -3.530 -8.083 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.810 -4.065 -10.389 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.698 -2.557 -10.297 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.835 -4.108 -10.393 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.722 -5.312 -11.010 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.104 -2.543 -12.233 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.918 -3.989 -12.797 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.843 -4.989 -13.533 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.882 -3.785 -12.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.196 -3.479 -15.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.513 -2.119 -14.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.799 -3.034 -14.839 1.00 0.00 H new ATOM 377 N THR A 24 12.386 -5.600 -7.870 1.00 0.00 N ATOM 378 CA THR A 24 12.826 -6.917 -7.369 1.00 0.00 C ATOM 379 C THR A 24 12.754 -7.020 -5.839 1.00 0.00 C ATOM 380 O THR A 24 12.082 -7.902 -5.307 1.00 0.00 O ATOM 381 CB THR A 24 14.255 -7.229 -7.844 1.00 0.00 C ATOM 382 OG1 THR A 24 14.366 -7.039 -9.239 1.00 0.00 O ATOM 383 CG2 THR A 24 14.663 -8.674 -7.559 1.00 0.00 C ATOM 0 H THR A 24 13.160 -4.947 -7.992 1.00 0.00 H new ATOM 0 HA THR A 24 12.135 -7.653 -7.781 1.00 0.00 H new ATOM 0 HB THR A 24 14.907 -6.550 -7.294 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.631 -6.114 -9.423 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.680 -8.842 -7.914 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.618 -8.860 -6.486 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.983 -9.352 -8.074 1.00 0.00 H new ATOM 391 N LEU A 25 13.436 -6.118 -5.115 1.00 0.00 N ATOM 392 CA LEU A 25 13.626 -6.177 -3.650 1.00 0.00 C ATOM 393 C LEU A 25 12.412 -5.630 -2.885 1.00 0.00 C ATOM 394 O LEU A 25 12.141 -6.031 -1.754 1.00 0.00 O ATOM 395 CB LEU A 25 14.919 -5.402 -3.278 1.00 0.00 C ATOM 396 CG LEU A 25 16.189 -5.889 -4.008 1.00 0.00 C ATOM 397 CD1 LEU A 25 17.365 -5.004 -3.616 1.00 0.00 C ATOM 398 CD2 LEU A 25 16.539 -7.337 -3.671 1.00 0.00 C ATOM 0 H LEU A 25 13.883 -5.306 -5.540 1.00 0.00 H new ATOM 0 HA LEU A 25 13.727 -7.221 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 25 14.771 -4.345 -3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 25 15.079 -5.483 -2.203 1.00 0.00 H new ATOM 0 HG LEU A 25 15.988 -5.831 -5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 25 18.264 -5.345 -4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.154 -3.973 -3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.519 -5.060 -2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.440 -7.629 -4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.713 -7.429 -2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.715 -7.988 -3.962 1.00 0.00 H new ATOM 410 N GLY A 26 11.670 -4.713 -3.512 1.00 0.00 N ATOM 411 CA GLY A 26 10.439 -4.106 -3.007 1.00 0.00 C ATOM 412 C GLY A 26 9.157 -4.742 -3.537 1.00 0.00 C ATOM 413 O GLY A 26 8.086 -4.213 -3.256 1.00 0.00 O ATOM 0 H GLY A 26 11.926 -4.357 -4.433 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.438 -4.168 -1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.438 -3.047 -3.265 1.00 0.00 H new ATOM 417 N ALA A 27 9.221 -5.854 -4.277 1.00 0.00 N ATOM 418 CA ALA A 27 8.045 -6.542 -4.829 1.00 0.00 C ATOM 419 C ALA A 27 6.973 -6.830 -3.752 1.00 0.00 C ATOM 420 O ALA A 27 7.212 -7.586 -2.807 1.00 0.00 O ATOM 421 CB ALA A 27 8.506 -7.839 -5.509 1.00 0.00 C ATOM 0 H ALA A 27 10.103 -6.309 -4.514 1.00 0.00 H new ATOM 0 HA ALA A 27 7.571 -5.887 -5.561 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.642 -8.360 -5.923 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.205 -7.601 -6.311 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.998 -8.479 -4.777 1.00 0.00 H new ATOM 427 N GLY A 28 5.797 -6.199 -3.877 1.00 0.00 N ATOM 428 CA GLY A 28 4.673 -6.329 -2.931 1.00 0.00 C ATOM 429 C GLY A 28 4.724 -5.356 -1.744 1.00 0.00 C ATOM 430 O GLY A 28 3.703 -5.136 -1.089 1.00 0.00 O ATOM 0 H GLY A 28 5.594 -5.570 -4.654 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.740 -6.174 -3.472 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.653 -7.349 -2.548 1.00 0.00 H new ATOM 434 N LYS A 29 5.880 -4.714 -1.509 1.00 0.00 N ATOM 435 CA LYS A 29 6.050 -3.592 -0.561 1.00 0.00 C ATOM 436 C LYS A 29 5.799 -2.250 -1.242 1.00 0.00 C ATOM 437 O LYS A 29 5.206 -1.365 -0.642 1.00 0.00 O ATOM 438 CB LYS A 29 7.453 -3.646 0.082 1.00 0.00 C ATOM 439 CG LYS A 29 7.623 -4.875 0.993 1.00 0.00 C ATOM 440 CD LYS A 29 8.855 -5.739 0.667 1.00 0.00 C ATOM 441 CE LYS A 29 10.164 -5.147 1.218 1.00 0.00 C ATOM 442 NZ LYS A 29 11.318 -6.077 1.012 1.00 0.00 N ATOM 0 H LYS A 29 6.747 -4.965 -1.984 1.00 0.00 H new ATOM 0 HA LYS A 29 5.308 -3.693 0.231 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.210 -3.668 -0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.621 -2.739 0.662 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.693 -4.539 2.028 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.729 -5.494 0.919 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.712 -6.738 1.080 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.939 -5.850 -0.414 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.370 -4.196 0.726 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.050 -4.937 2.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.117 -5.776 1.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.036 -7.043 1.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.604 -6.060 0.012 1.00 0.00 H new ATOM 456 N ILE A 30 6.236 -2.092 -2.495 1.00 0.00 N ATOM 457 CA ILE A 30 6.160 -0.830 -3.250 1.00 0.00 C ATOM 458 C ILE A 30 5.790 -1.015 -4.730 1.00 0.00 C ATOM 459 O ILE A 30 5.722 -2.133 -5.237 1.00 0.00 O ATOM 460 CB ILE A 30 7.478 -0.021 -3.087 1.00 0.00 C ATOM 461 CG1 ILE A 30 8.787 -0.689 -3.562 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.721 0.353 -1.615 1.00 0.00 C ATOM 463 CD1 ILE A 30 8.840 -1.152 -5.017 1.00 0.00 C ATOM 0 H ILE A 30 6.662 -2.851 -3.027 1.00 0.00 H new ATOM 0 HA ILE A 30 5.338 -0.259 -2.818 1.00 0.00 H new ATOM 0 HB ILE A 30 7.288 0.830 -3.741 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.604 0.014 -3.400 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.978 -1.552 -2.924 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.649 0.918 -1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.892 0.961 -1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.794 -0.555 -1.016 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.812 -1.602 -5.220 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.055 -1.887 -5.194 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.691 -0.297 -5.677 1.00 0.00 H new ATOM 475 N ALA A 31 5.574 0.111 -5.416 1.00 0.00 N ATOM 476 CA ALA A 31 5.444 0.204 -6.874 1.00 0.00 C ATOM 477 C ALA A 31 6.378 1.325 -7.376 1.00 0.00 C ATOM 478 O ALA A 31 6.548 2.336 -6.686 1.00 0.00 O ATOM 479 CB ALA A 31 3.971 0.402 -7.254 1.00 0.00 C ATOM 0 H ALA A 31 5.481 1.016 -4.955 1.00 0.00 H new ATOM 0 HA ALA A 31 5.754 -0.719 -7.364 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.881 0.470 -8.338 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.385 -0.444 -6.894 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.599 1.320 -6.800 1.00 0.00 H new ATOM 485 N VAL A 32 7.029 1.153 -8.533 1.00 0.00 N ATOM 486 CA VAL A 32 8.105 2.035 -8.993 1.00 0.00 C ATOM 487 C VAL A 32 8.086 2.374 -10.480 1.00 0.00 C ATOM 488 O VAL A 32 7.681 1.564 -11.317 1.00 0.00 O ATOM 489 CB VAL A 32 9.473 1.429 -8.651 1.00 0.00 C ATOM 490 CG1 VAL A 32 9.902 1.918 -7.274 1.00 0.00 C ATOM 491 CG2 VAL A 32 9.574 -0.097 -8.747 1.00 0.00 C ATOM 0 H VAL A 32 6.821 0.392 -9.180 1.00 0.00 H new ATOM 0 HA VAL A 32 7.930 2.971 -8.463 1.00 0.00 H new ATOM 0 HB VAL A 32 10.154 1.780 -9.426 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.873 1.492 -7.023 1.00 0.00 H new ATOM 0 HG12 VAL A 32 9.973 3.006 -7.280 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.167 1.607 -6.532 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.584 -0.412 -8.484 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.861 -0.553 -8.060 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.349 -0.413 -9.766 1.00 0.00 H new ATOM 501 N THR A 33 8.621 3.563 -10.782 1.00 0.00 N ATOM 502 CA THR A 33 8.762 4.118 -12.139 1.00 0.00 C ATOM 503 C THR A 33 10.106 4.848 -12.278 1.00 0.00 C ATOM 504 O THR A 33 10.583 5.459 -11.322 1.00 0.00 O ATOM 505 CB THR A 33 7.589 5.074 -12.441 1.00 0.00 C ATOM 506 OG1 THR A 33 6.351 4.456 -12.133 1.00 0.00 O ATOM 507 CG2 THR A 33 7.499 5.482 -13.911 1.00 0.00 C ATOM 0 H THR A 33 8.982 4.190 -10.063 1.00 0.00 H new ATOM 0 HA THR A 33 8.740 3.302 -12.861 1.00 0.00 H new ATOM 0 HB THR A 33 7.781 5.955 -11.828 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.618 5.076 -12.329 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.652 6.154 -14.051 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.418 5.990 -14.205 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.363 4.593 -14.528 1.00 0.00 H new ATOM 515 N SER A 34 10.726 4.804 -13.458 1.00 0.00 N ATOM 516 CA SER A 34 11.929 5.562 -13.829 1.00 0.00 C ATOM 517 C SER A 34 11.631 6.622 -14.904 1.00 0.00 C ATOM 518 O SER A 34 10.940 6.346 -15.885 1.00 0.00 O ATOM 519 CB SER A 34 12.982 4.573 -14.316 1.00 0.00 C ATOM 520 OG SER A 34 14.169 5.259 -14.664 1.00 0.00 O ATOM 0 H SER A 34 10.390 4.213 -14.218 1.00 0.00 H new ATOM 0 HA SER A 34 12.295 6.104 -12.957 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.191 3.840 -13.537 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.605 4.023 -15.178 1.00 0.00 H new ATOM 0 HG SER A 34 14.840 4.615 -14.974 1.00 0.00 H new ATOM 526 N CYS A 35 12.176 7.831 -14.733 1.00 0.00 N ATOM 527 CA CYS A 35 12.077 8.951 -15.674 1.00 0.00 C ATOM 528 C CYS A 35 13.305 9.877 -15.612 1.00 0.00 C ATOM 529 O CYS A 35 14.263 9.632 -14.874 1.00 0.00 O ATOM 530 CB CYS A 35 10.768 9.707 -15.401 1.00 0.00 C ATOM 531 SG CYS A 35 10.861 10.744 -13.920 1.00 0.00 S ATOM 0 H CYS A 35 12.720 8.065 -13.902 1.00 0.00 H new ATOM 0 HA CYS A 35 12.061 8.561 -16.692 1.00 0.00 H new ATOM 0 HB2 CYS A 35 10.526 10.330 -16.262 1.00 0.00 H new ATOM 0 HB3 CYS A 35 9.955 8.990 -15.288 1.00 0.00 H new ATOM 0 HG CYS A 35 10.359 10.101 -12.908 1.00 0.00 H new ATOM 537 N GLY A 36 13.322 10.951 -16.395 1.00 0.00 N ATOM 538 CA GLY A 36 14.333 12.005 -16.257 1.00 0.00 C ATOM 539 C GLY A 36 13.846 13.360 -16.725 1.00 0.00 C ATOM 540 O GLY A 36 12.832 13.443 -17.403 1.00 0.00 O ATOM 0 H GLY A 36 12.644 11.119 -17.138 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.636 12.075 -15.212 1.00 0.00 H new ATOM 0 HA3 GLY A 36 15.219 11.727 -16.828 1.00 0.00 H new ATOM 544 N LEU A 37 14.574 14.436 -16.409 1.00 0.00 N ATOM 545 CA LEU A 37 14.236 15.762 -16.965 1.00 0.00 C ATOM 546 C LEU A 37 14.380 15.818 -18.500 1.00 0.00 C ATOM 547 O LEU A 37 13.800 16.681 -19.158 1.00 0.00 O ATOM 548 CB LEU A 37 14.942 16.919 -16.242 1.00 0.00 C ATOM 549 CG LEU A 37 16.467 16.777 -16.077 1.00 0.00 C ATOM 550 CD1 LEU A 37 17.163 18.135 -16.156 1.00 0.00 C ATOM 551 CD2 LEU A 37 16.786 16.184 -14.703 1.00 0.00 C ATOM 0 H LEU A 37 15.383 14.424 -15.787 1.00 0.00 H new ATOM 0 HA LEU A 37 13.175 15.909 -16.764 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.739 17.841 -16.787 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.497 17.029 -15.253 1.00 0.00 H new ATOM 0 HG LEU A 37 16.821 16.132 -16.881 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.238 18.000 -16.036 1.00 0.00 H new ATOM 0 HD12 LEU A 37 16.960 18.592 -17.125 1.00 0.00 H new ATOM 0 HD13 LEU A 37 16.788 18.783 -15.364 1.00 0.00 H new ATOM 0 HD21 LEU A 37 17.866 16.085 -14.591 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.399 16.841 -13.924 1.00 0.00 H new ATOM 0 HD23 LEU A 37 16.321 15.202 -14.614 1.00 0.00 H new ATOM 563 N GLU A 38 15.111 14.849 -19.047 1.00 0.00 N ATOM 564 CA GLU A 38 15.224 14.523 -20.472 1.00 0.00 C ATOM 565 C GLU A 38 15.228 12.988 -20.618 1.00 0.00 C ATOM 566 O GLU A 38 15.465 12.264 -19.645 1.00 0.00 O ATOM 567 CB GLU A 38 16.486 15.134 -21.115 1.00 0.00 C ATOM 568 CG GLU A 38 16.623 16.650 -20.935 1.00 0.00 C ATOM 569 CD GLU A 38 17.855 17.177 -21.695 1.00 0.00 C ATOM 570 OE1 GLU A 38 18.972 17.157 -21.123 1.00 0.00 O ATOM 571 OE2 GLU A 38 17.717 17.619 -22.863 1.00 0.00 O ATOM 0 H GLU A 38 15.679 14.228 -18.470 1.00 0.00 H new ATOM 0 HA GLU A 38 14.373 14.955 -20.999 1.00 0.00 H new ATOM 0 HB2 GLU A 38 17.365 14.650 -20.690 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.481 14.907 -22.181 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.724 17.148 -21.299 1.00 0.00 H new ATOM 0 HG3 GLU A 38 16.713 16.889 -19.875 1.00 0.00 H new ATOM 578 N SER A 39 14.985 12.479 -21.826 1.00 0.00 N ATOM 579 CA SER A 39 14.919 11.035 -22.107 1.00 0.00 C ATOM 580 C SER A 39 15.577 10.681 -23.446 1.00 0.00 C ATOM 581 O SER A 39 15.254 11.279 -24.474 1.00 0.00 O ATOM 582 CB SER A 39 13.462 10.555 -22.052 1.00 0.00 C ATOM 583 OG SER A 39 12.575 11.387 -22.788 1.00 0.00 O ATOM 0 H SER A 39 14.826 13.060 -22.649 1.00 0.00 H new ATOM 0 HA SER A 39 15.486 10.514 -21.336 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.405 9.539 -22.441 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.137 10.517 -21.012 1.00 0.00 H new ATOM 0 HG SER A 39 11.921 10.831 -23.260 1.00 0.00 H new ATOM 589 N SER A 40 16.484 9.694 -23.433 1.00 0.00 N ATOM 590 CA SER A 40 17.181 9.194 -24.631 1.00 0.00 C ATOM 591 C SER A 40 16.851 7.715 -24.904 1.00 0.00 C ATOM 592 O SER A 40 15.874 7.424 -25.596 1.00 0.00 O ATOM 593 CB SER A 40 18.680 9.513 -24.529 1.00 0.00 C ATOM 594 OG SER A 40 19.363 9.093 -25.699 1.00 0.00 O ATOM 0 H SER A 40 16.760 9.212 -22.577 1.00 0.00 H new ATOM 0 HA SER A 40 16.817 9.715 -25.516 1.00 0.00 H new ATOM 0 HB2 SER A 40 18.820 10.584 -24.385 1.00 0.00 H new ATOM 0 HB3 SER A 40 19.104 9.016 -23.656 1.00 0.00 H new ATOM 0 HG SER A 40 19.916 9.828 -26.037 1.00 0.00 H new ATOM 600 N ARG A 41 17.624 6.783 -24.330 1.00 0.00 N ATOM 601 CA ARG A 41 17.423 5.319 -24.363 1.00 0.00 C ATOM 602 C ARG A 41 18.110 4.675 -23.155 1.00 0.00 C ATOM 603 O ARG A 41 19.082 5.244 -22.664 1.00 0.00 O ATOM 604 CB ARG A 41 17.925 4.722 -25.702 1.00 0.00 C ATOM 605 CG ARG A 41 19.449 4.667 -25.940 1.00 0.00 C ATOM 606 CD ARG A 41 20.142 6.036 -25.966 1.00 0.00 C ATOM 607 NE ARG A 41 21.551 5.931 -26.390 1.00 0.00 N ATOM 608 CZ ARG A 41 22.405 6.932 -26.524 1.00 0.00 C ATOM 609 NH1 ARG A 41 22.066 8.168 -26.283 1.00 0.00 N ATOM 610 NH2 ARG A 41 23.631 6.705 -26.900 1.00 0.00 N ATOM 0 H ARG A 41 18.456 7.040 -23.798 1.00 0.00 H new ATOM 0 HA ARG A 41 16.357 5.102 -24.301 1.00 0.00 H new ATOM 0 HB2 ARG A 41 17.537 3.707 -25.782 1.00 0.00 H new ATOM 0 HB3 ARG A 41 17.480 5.298 -26.513 1.00 0.00 H new ATOM 0 HG2 ARG A 41 19.904 4.059 -25.158 1.00 0.00 H new ATOM 0 HG3 ARG A 41 19.637 4.161 -26.887 1.00 0.00 H new ATOM 0 HD2 ARG A 41 19.607 6.701 -26.644 1.00 0.00 H new ATOM 0 HD3 ARG A 41 20.094 6.486 -24.975 1.00 0.00 H new ATOM 0 HE ARG A 41 21.900 4.996 -26.600 1.00 0.00 H new ATOM 0 HH11 ARG A 41 21.117 8.387 -25.981 1.00 0.00 H new ATOM 0 HH12 ARG A 41 22.750 8.916 -26.397 1.00 0.00 H new ATOM 0 HH21 ARG A 41 23.937 5.751 -27.093 1.00 0.00 H new ATOM 0 HH22 ARG A 41 24.285 7.481 -27.002 1.00 0.00 H new ATOM 624 N VAL A 42 17.681 3.493 -22.698 1.00 0.00 N ATOM 625 CA VAL A 42 18.425 2.763 -21.642 1.00 0.00 C ATOM 626 C VAL A 42 19.832 2.450 -22.149 1.00 0.00 C ATOM 627 O VAL A 42 19.992 1.961 -23.268 1.00 0.00 O ATOM 628 CB VAL A 42 17.753 1.459 -21.158 1.00 0.00 C ATOM 629 CG1 VAL A 42 18.473 0.902 -19.917 1.00 0.00 C ATOM 630 CG2 VAL A 42 16.306 1.687 -20.742 1.00 0.00 C ATOM 0 H VAL A 42 16.840 3.021 -23.029 1.00 0.00 H new ATOM 0 HA VAL A 42 18.444 3.424 -20.775 1.00 0.00 H new ATOM 0 HB VAL A 42 17.805 0.766 -21.998 1.00 0.00 H new ATOM 0 HG11 VAL A 42 17.983 -0.016 -19.594 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.513 0.690 -20.164 1.00 0.00 H new ATOM 0 HG13 VAL A 42 18.434 1.637 -19.113 1.00 0.00 H new ATOM 0 HG21 VAL A 42 15.871 0.745 -20.408 1.00 0.00 H new ATOM 0 HG22 VAL A 42 16.271 2.411 -19.928 1.00 0.00 H new ATOM 0 HG23 VAL A 42 15.739 2.068 -21.591 1.00 0.00 H new ATOM 640 N HIS A 43 20.853 2.718 -21.331 1.00 0.00 N ATOM 641 CA HIS A 43 22.231 2.373 -21.676 1.00 0.00 C ATOM 642 C HIS A 43 22.344 0.848 -21.706 1.00 0.00 C ATOM 643 O HIS A 43 22.014 0.208 -20.705 1.00 0.00 O ATOM 644 CB HIS A 43 23.199 3.019 -20.681 1.00 0.00 C ATOM 645 CG HIS A 43 24.592 3.100 -21.236 1.00 0.00 C ATOM 646 ND1 HIS A 43 25.476 2.032 -21.386 1.00 0.00 N ATOM 647 CD2 HIS A 43 25.165 4.231 -21.726 1.00 0.00 C ATOM 648 CE1 HIS A 43 26.585 2.559 -21.943 1.00 0.00 C ATOM 649 NE2 HIS A 43 26.415 3.874 -22.167 1.00 0.00 N ATOM 0 H HIS A 43 20.749 3.174 -20.424 1.00 0.00 H new ATOM 0 HA HIS A 43 22.500 2.758 -22.660 1.00 0.00 H new ATOM 0 HB2 HIS A 43 22.848 4.020 -20.430 1.00 0.00 H new ATOM 0 HB3 HIS A 43 23.209 2.443 -19.756 1.00 0.00 H new ATOM 0 HD2 HIS A 43 24.724 5.216 -21.761 1.00 0.00 H new ATOM 0 HE1 HIS A 43 27.482 2.004 -22.176 1.00 0.00 H new ATOM 0 HE2 HIS A 43 27.099 4.500 -22.592 1.00 0.00 H new ATOM 657 N PRO A 44 22.786 0.222 -22.808 1.00 0.00 N ATOM 658 CA PRO A 44 22.677 -1.225 -22.929 1.00 0.00 C ATOM 659 C PRO A 44 23.609 -1.955 -21.942 1.00 0.00 C ATOM 660 O PRO A 44 23.289 -3.049 -21.474 1.00 0.00 O ATOM 661 CB PRO A 44 23.006 -1.514 -24.395 1.00 0.00 C ATOM 662 CG PRO A 44 23.954 -0.378 -24.781 1.00 0.00 C ATOM 663 CD PRO A 44 23.388 0.805 -23.999 1.00 0.00 C ATOM 0 HA PRO A 44 21.684 -1.593 -22.669 1.00 0.00 H new ATOM 0 HB2 PRO A 44 23.478 -2.489 -24.515 1.00 0.00 H new ATOM 0 HB3 PRO A 44 22.109 -1.516 -25.014 1.00 0.00 H new ATOM 0 HG2 PRO A 44 24.984 -0.596 -24.499 1.00 0.00 H new ATOM 0 HG3 PRO A 44 23.950 -0.194 -25.855 1.00 0.00 H new ATOM 0 HD2 PRO A 44 24.172 1.515 -23.737 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.649 1.349 -24.588 1.00 0.00 H new ATOM 671 N THR A 45 24.710 -1.317 -21.526 1.00 0.00 N ATOM 672 CA THR A 45 25.603 -1.837 -20.478 1.00 0.00 C ATOM 673 C THR A 45 24.944 -1.792 -19.098 1.00 0.00 C ATOM 674 O THR A 45 25.194 -2.677 -18.287 1.00 0.00 O ATOM 675 CB THR A 45 26.948 -1.091 -20.481 1.00 0.00 C ATOM 676 OG1 THR A 45 27.512 -1.145 -21.779 1.00 0.00 O ATOM 677 CG2 THR A 45 27.957 -1.731 -19.528 1.00 0.00 C ATOM 0 H THR A 45 25.010 -0.420 -21.908 1.00 0.00 H new ATOM 0 HA THR A 45 25.800 -2.885 -20.705 1.00 0.00 H new ATOM 0 HB THR A 45 26.748 -0.067 -20.165 1.00 0.00 H new ATOM 0 HG1 THR A 45 28.368 -0.669 -21.784 1.00 0.00 H new ATOM 0 HG21 THR A 45 28.893 -1.173 -19.561 1.00 0.00 H new ATOM 0 HG22 THR A 45 27.560 -1.714 -18.513 1.00 0.00 H new ATOM 0 HG23 THR A 45 28.139 -2.763 -19.830 1.00 0.00 H new ATOM 685 N ALA A 46 24.022 -0.861 -18.826 1.00 0.00 N ATOM 686 CA ALA A 46 23.261 -0.859 -17.570 1.00 0.00 C ATOM 687 C ALA A 46 22.420 -2.133 -17.415 1.00 0.00 C ATOM 688 O ALA A 46 22.481 -2.785 -16.375 1.00 0.00 O ATOM 689 CB ALA A 46 22.369 0.389 -17.516 1.00 0.00 C ATOM 0 H ALA A 46 23.784 -0.098 -19.460 1.00 0.00 H new ATOM 0 HA ALA A 46 23.967 -0.838 -16.740 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.803 0.392 -16.584 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.991 1.283 -17.566 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.679 0.380 -18.359 1.00 0.00 H new ATOM 695 N ILE A 47 21.714 -2.539 -18.476 1.00 0.00 N ATOM 696 CA ILE A 47 20.990 -3.822 -18.525 1.00 0.00 C ATOM 697 C ILE A 47 21.959 -4.987 -18.270 1.00 0.00 C ATOM 698 O ILE A 47 21.705 -5.819 -17.400 1.00 0.00 O ATOM 699 CB ILE A 47 20.256 -3.965 -19.878 1.00 0.00 C ATOM 700 CG1 ILE A 47 19.134 -2.908 -20.033 1.00 0.00 C ATOM 701 CG2 ILE A 47 19.642 -5.364 -20.054 1.00 0.00 C ATOM 702 CD1 ILE A 47 19.191 -2.177 -21.371 1.00 0.00 C ATOM 0 H ILE A 47 21.626 -1.988 -19.330 1.00 0.00 H new ATOM 0 HA ILE A 47 20.237 -3.845 -17.738 1.00 0.00 H new ATOM 0 HB ILE A 47 21.012 -3.808 -20.648 1.00 0.00 H new ATOM 0 HG12 ILE A 47 18.165 -3.396 -19.932 1.00 0.00 H new ATOM 0 HG13 ILE A 47 19.211 -2.182 -19.224 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.136 -5.421 -21.018 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.431 -6.115 -20.013 1.00 0.00 H new ATOM 0 HG23 ILE A 47 18.923 -5.549 -19.256 1.00 0.00 H new ATOM 0 HD11 ILE A 47 18.381 -1.449 -21.423 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.148 -1.663 -21.464 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.085 -2.896 -22.183 1.00 0.00 H new ATOM 714 N ALA A 48 23.116 -4.996 -18.940 1.00 0.00 N ATOM 715 CA ALA A 48 24.121 -6.049 -18.768 1.00 0.00 C ATOM 716 C ALA A 48 24.659 -6.151 -17.328 1.00 0.00 C ATOM 717 O ALA A 48 24.920 -7.246 -16.833 1.00 0.00 O ATOM 718 CB ALA A 48 25.266 -5.804 -19.748 1.00 0.00 C ATOM 0 H ALA A 48 23.381 -4.277 -19.613 1.00 0.00 H new ATOM 0 HA ALA A 48 23.636 -7.003 -18.974 1.00 0.00 H new ATOM 0 HB1 ALA A 48 26.020 -6.582 -19.629 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.882 -5.824 -20.768 1.00 0.00 H new ATOM 0 HB3 ALA A 48 25.714 -4.831 -19.548 1.00 0.00 H new ATOM 724 N MET A 49 24.790 -5.016 -16.633 1.00 0.00 N ATOM 725 CA MET A 49 25.251 -4.948 -15.243 1.00 0.00 C ATOM 726 C MET A 49 24.157 -5.369 -14.260 1.00 0.00 C ATOM 727 O MET A 49 24.454 -6.016 -13.261 1.00 0.00 O ATOM 728 CB MET A 49 25.789 -3.541 -14.945 1.00 0.00 C ATOM 729 CG MET A 49 26.958 -3.153 -15.858 1.00 0.00 C ATOM 730 SD MET A 49 28.607 -3.530 -15.216 1.00 0.00 S ATOM 731 CE MET A 49 28.914 -5.115 -16.021 1.00 0.00 C ATOM 0 H MET A 49 24.574 -4.101 -17.029 1.00 0.00 H new ATOM 0 HA MET A 49 26.065 -5.661 -15.109 1.00 0.00 H new ATOM 0 HB2 MET A 49 24.984 -2.815 -15.063 1.00 0.00 H new ATOM 0 HB3 MET A 49 26.113 -3.492 -13.905 1.00 0.00 H new ATOM 0 HG2 MET A 49 26.834 -3.662 -16.814 1.00 0.00 H new ATOM 0 HG3 MET A 49 26.901 -2.083 -16.057 1.00 0.00 H new ATOM 0 HE1 MET A 49 29.888 -5.496 -15.715 1.00 0.00 H new ATOM 0 HE2 MET A 49 28.140 -5.826 -15.732 1.00 0.00 H new ATOM 0 HE3 MET A 49 28.900 -4.982 -17.103 1.00 0.00 H new ATOM 741 N MET A 50 22.885 -5.084 -14.550 1.00 0.00 N ATOM 742 CA MET A 50 21.758 -5.623 -13.773 1.00 0.00 C ATOM 743 C MET A 50 21.602 -7.139 -13.963 1.00 0.00 C ATOM 744 O MET A 50 21.236 -7.841 -13.021 1.00 0.00 O ATOM 745 CB MET A 50 20.459 -4.887 -14.134 1.00 0.00 C ATOM 746 CG MET A 50 20.479 -3.402 -13.733 1.00 0.00 C ATOM 747 SD MET A 50 20.852 -3.030 -11.992 1.00 0.00 S ATOM 748 CE MET A 50 19.549 -3.985 -11.177 1.00 0.00 C ATOM 0 H MET A 50 22.605 -4.479 -15.322 1.00 0.00 H new ATOM 0 HA MET A 50 21.974 -5.455 -12.718 1.00 0.00 H new ATOM 0 HB2 MET A 50 20.290 -4.966 -15.208 1.00 0.00 H new ATOM 0 HB3 MET A 50 19.620 -5.379 -13.642 1.00 0.00 H new ATOM 0 HG2 MET A 50 21.214 -2.892 -14.355 1.00 0.00 H new ATOM 0 HG3 MET A 50 19.506 -2.972 -13.972 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.151 -3.415 -10.337 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.749 -4.190 -11.888 1.00 0.00 H new ATOM 0 HE3 MET A 50 19.961 -4.926 -10.814 1.00 0.00 H new ATOM 758 N GLU A 51 21.977 -7.682 -15.126 1.00 0.00 N ATOM 759 CA GLU A 51 21.986 -9.136 -15.333 1.00 0.00 C ATOM 760 C GLU A 51 23.063 -9.860 -14.496 1.00 0.00 C ATOM 761 O GLU A 51 22.898 -11.048 -14.215 1.00 0.00 O ATOM 762 CB GLU A 51 22.131 -9.484 -16.824 1.00 0.00 C ATOM 763 CG GLU A 51 20.858 -9.207 -17.632 1.00 0.00 C ATOM 764 CD GLU A 51 21.046 -9.658 -19.095 1.00 0.00 C ATOM 765 OE1 GLU A 51 21.666 -8.920 -19.900 1.00 0.00 O ATOM 766 OE2 GLU A 51 20.589 -10.775 -19.449 1.00 0.00 O ATOM 0 H GLU A 51 22.277 -7.140 -15.936 1.00 0.00 H new ATOM 0 HA GLU A 51 21.020 -9.498 -14.981 1.00 0.00 H new ATOM 0 HB2 GLU A 51 22.955 -8.909 -17.247 1.00 0.00 H new ATOM 0 HB3 GLU A 51 22.394 -10.537 -16.921 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.014 -9.734 -17.187 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.622 -8.143 -17.599 1.00 0.00 H new ATOM 773 N GLU A 52 24.108 -9.172 -14.008 1.00 0.00 N ATOM 774 CA GLU A 52 25.099 -9.767 -13.088 1.00 0.00 C ATOM 775 C GLU A 52 24.478 -10.219 -11.751 1.00 0.00 C ATOM 776 O GLU A 52 24.956 -11.170 -11.132 1.00 0.00 O ATOM 777 CB GLU A 52 26.222 -8.776 -12.755 1.00 0.00 C ATOM 778 CG GLU A 52 26.987 -8.275 -13.980 1.00 0.00 C ATOM 779 CD GLU A 52 28.194 -7.432 -13.557 1.00 0.00 C ATOM 780 OE1 GLU A 52 28.032 -6.454 -12.787 1.00 0.00 O ATOM 781 OE2 GLU A 52 29.325 -7.752 -13.990 1.00 0.00 O ATOM 0 H GLU A 52 24.292 -8.195 -14.236 1.00 0.00 H new ATOM 0 HA GLU A 52 25.491 -10.635 -13.618 1.00 0.00 H new ATOM 0 HB2 GLU A 52 25.796 -7.921 -12.230 1.00 0.00 H new ATOM 0 HB3 GLU A 52 26.923 -9.253 -12.070 1.00 0.00 H new ATOM 0 HG2 GLU A 52 27.321 -9.123 -14.578 1.00 0.00 H new ATOM 0 HG3 GLU A 52 26.325 -7.681 -14.610 1.00 0.00 H new ATOM 788 N VAL A 53 23.402 -9.545 -11.324 1.00 0.00 N ATOM 789 CA VAL A 53 22.621 -9.864 -10.110 1.00 0.00 C ATOM 790 C VAL A 53 21.295 -10.576 -10.433 1.00 0.00 C ATOM 791 O VAL A 53 20.441 -10.733 -9.559 1.00 0.00 O ATOM 792 CB VAL A 53 22.439 -8.613 -9.222 1.00 0.00 C ATOM 793 CG1 VAL A 53 23.788 -8.138 -8.670 1.00 0.00 C ATOM 794 CG2 VAL A 53 21.793 -7.439 -9.969 1.00 0.00 C ATOM 0 H VAL A 53 23.035 -8.736 -11.826 1.00 0.00 H new ATOM 0 HA VAL A 53 23.197 -10.583 -9.527 1.00 0.00 H new ATOM 0 HB VAL A 53 21.775 -8.919 -8.414 1.00 0.00 H new ATOM 0 HG11 VAL A 53 23.636 -7.256 -8.048 1.00 0.00 H new ATOM 0 HG12 VAL A 53 24.236 -8.931 -8.072 1.00 0.00 H new ATOM 0 HG13 VAL A 53 24.452 -7.888 -9.497 1.00 0.00 H new ATOM 0 HG21 VAL A 53 21.691 -6.590 -9.293 1.00 0.00 H new ATOM 0 HG22 VAL A 53 22.420 -7.157 -10.815 1.00 0.00 H new ATOM 0 HG23 VAL A 53 20.808 -7.735 -10.330 1.00 0.00 H new ATOM 804 N GLY A 54 21.113 -11.021 -11.684 1.00 0.00 N ATOM 805 CA GLY A 54 19.926 -11.749 -12.148 1.00 0.00 C ATOM 806 C GLY A 54 18.649 -10.900 -12.270 1.00 0.00 C ATOM 807 O GLY A 54 17.547 -11.454 -12.297 1.00 0.00 O ATOM 0 H GLY A 54 21.806 -10.880 -12.419 1.00 0.00 H new ATOM 0 HA2 GLY A 54 20.146 -12.190 -13.121 1.00 0.00 H new ATOM 0 HA3 GLY A 54 19.732 -12.573 -11.461 1.00 0.00 H new ATOM 811 N ILE A 55 18.780 -9.568 -12.322 1.00 0.00 N ATOM 812 CA ILE A 55 17.666 -8.614 -12.442 1.00 0.00 C ATOM 813 C ILE A 55 17.514 -8.178 -13.903 1.00 0.00 C ATOM 814 O ILE A 55 18.496 -7.860 -14.575 1.00 0.00 O ATOM 815 CB ILE A 55 17.880 -7.423 -11.481 1.00 0.00 C ATOM 816 CG1 ILE A 55 17.794 -7.916 -10.014 1.00 0.00 C ATOM 817 CG2 ILE A 55 16.858 -6.297 -11.733 1.00 0.00 C ATOM 818 CD1 ILE A 55 17.991 -6.834 -8.944 1.00 0.00 C ATOM 0 H ILE A 55 19.690 -9.109 -12.281 1.00 0.00 H new ATOM 0 HA ILE A 55 16.731 -9.092 -12.148 1.00 0.00 H new ATOM 0 HB ILE A 55 18.871 -7.009 -11.667 1.00 0.00 H new ATOM 0 HG12 ILE A 55 16.820 -8.381 -9.861 1.00 0.00 H new ATOM 0 HG13 ILE A 55 18.545 -8.692 -9.865 1.00 0.00 H new ATOM 0 HG21 ILE A 55 17.041 -5.477 -11.038 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.960 -5.935 -12.756 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.849 -6.681 -11.583 1.00 0.00 H new ATOM 0 HD11 ILE A 55 17.912 -7.283 -7.954 1.00 0.00 H new ATOM 0 HD12 ILE A 55 18.976 -6.382 -9.060 1.00 0.00 H new ATOM 0 HD13 ILE A 55 17.225 -6.067 -9.057 1.00 0.00 H new ATOM 830 N ASP A 56 16.273 -8.127 -14.390 1.00 0.00 N ATOM 831 CA ASP A 56 15.961 -7.731 -15.766 1.00 0.00 C ATOM 832 C ASP A 56 15.334 -6.329 -15.834 1.00 0.00 C ATOM 833 O ASP A 56 14.286 -6.072 -15.238 1.00 0.00 O ATOM 834 CB ASP A 56 15.067 -8.789 -16.428 1.00 0.00 C ATOM 835 CG ASP A 56 14.724 -8.416 -17.878 1.00 0.00 C ATOM 836 OD1 ASP A 56 15.579 -7.793 -18.552 1.00 0.00 O ATOM 837 OD2 ASP A 56 13.602 -8.728 -18.340 1.00 0.00 O ATOM 0 H ASP A 56 15.449 -8.361 -13.837 1.00 0.00 H new ATOM 0 HA ASP A 56 16.896 -7.674 -16.324 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.572 -9.755 -16.410 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.147 -8.900 -15.853 1.00 0.00 H new ATOM 842 N ILE A 57 15.967 -5.442 -16.612 1.00 0.00 N ATOM 843 CA ILE A 57 15.436 -4.119 -16.995 1.00 0.00 C ATOM 844 C ILE A 57 15.330 -3.939 -18.526 1.00 0.00 C ATOM 845 O ILE A 57 15.161 -2.824 -19.012 1.00 0.00 O ATOM 846 CB ILE A 57 16.196 -2.968 -16.292 1.00 0.00 C ATOM 847 CG1 ILE A 57 17.694 -2.926 -16.653 1.00 0.00 C ATOM 848 CG2 ILE A 57 16.037 -3.042 -14.762 1.00 0.00 C ATOM 849 CD1 ILE A 57 18.302 -1.523 -16.501 1.00 0.00 C ATOM 0 H ILE A 57 16.890 -5.626 -17.006 1.00 0.00 H new ATOM 0 HA ILE A 57 14.410 -4.071 -16.631 1.00 0.00 H new ATOM 0 HB ILE A 57 15.741 -2.048 -16.659 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.237 -3.624 -16.015 1.00 0.00 H new ATOM 0 HG13 ILE A 57 17.825 -3.265 -17.681 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.583 -2.220 -14.299 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.981 -2.969 -14.502 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.435 -3.990 -14.400 1.00 0.00 H new ATOM 0 HD11 ILE A 57 19.358 -1.553 -16.768 1.00 0.00 H new ATOM 0 HD12 ILE A 57 17.781 -0.827 -17.159 1.00 0.00 H new ATOM 0 HD13 ILE A 57 18.199 -1.192 -15.468 1.00 0.00 H new ATOM 861 N SER A 58 15.426 -5.022 -19.311 1.00 0.00 N ATOM 862 CA SER A 58 15.469 -4.981 -20.790 1.00 0.00 C ATOM 863 C SER A 58 14.185 -4.422 -21.421 1.00 0.00 C ATOM 864 O SER A 58 14.226 -3.844 -22.509 1.00 0.00 O ATOM 865 CB SER A 58 15.709 -6.384 -21.373 1.00 0.00 C ATOM 866 OG SER A 58 16.763 -7.057 -20.720 1.00 0.00 O ATOM 0 H SER A 58 15.477 -5.969 -18.935 1.00 0.00 H new ATOM 0 HA SER A 58 16.294 -4.311 -21.034 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.796 -6.973 -21.288 1.00 0.00 H new ATOM 0 HB3 SER A 58 15.936 -6.300 -22.436 1.00 0.00 H new ATOM 0 HG SER A 58 16.393 -7.715 -20.095 1.00 0.00 H new ATOM 872 N GLY A 59 13.046 -4.569 -20.730 1.00 0.00 N ATOM 873 CA GLY A 59 11.739 -4.038 -21.140 1.00 0.00 C ATOM 874 C GLY A 59 11.527 -2.543 -20.861 1.00 0.00 C ATOM 875 O GLY A 59 10.455 -2.023 -21.175 1.00 0.00 O ATOM 0 H GLY A 59 13.008 -5.075 -19.845 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.611 -4.214 -22.208 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.959 -4.601 -20.629 1.00 0.00 H new ATOM 879 N GLN A 60 12.506 -1.842 -20.271 1.00 0.00 N ATOM 880 CA GLN A 60 12.439 -0.399 -20.031 1.00 0.00 C ATOM 881 C GLN A 60 12.960 0.380 -21.249 1.00 0.00 C ATOM 882 O GLN A 60 13.772 -0.102 -22.039 1.00 0.00 O ATOM 883 CB GLN A 60 13.172 -0.041 -18.721 1.00 0.00 C ATOM 884 CG GLN A 60 12.332 -0.411 -17.480 1.00 0.00 C ATOM 885 CD GLN A 60 13.170 -0.795 -16.266 1.00 0.00 C ATOM 886 OE1 GLN A 60 13.090 -1.911 -15.771 1.00 0.00 O ATOM 887 NE2 GLN A 60 14.005 0.083 -15.749 1.00 0.00 N ATOM 0 H GLN A 60 13.374 -2.268 -19.945 1.00 0.00 H new ATOM 0 HA GLN A 60 11.399 -0.101 -19.901 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.127 -0.564 -18.683 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.392 1.026 -18.707 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.695 0.434 -17.218 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.673 -1.241 -17.733 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.079 1.016 -16.154 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.577 -0.170 -14.944 1.00 0.00 H new ATOM 896 N THR A 61 12.478 1.610 -21.382 1.00 0.00 N ATOM 897 CA THR A 61 12.763 2.604 -22.414 1.00 0.00 C ATOM 898 C THR A 61 12.677 3.954 -21.702 1.00 0.00 C ATOM 899 O THR A 61 12.034 4.075 -20.654 1.00 0.00 O ATOM 900 CB THR A 61 11.766 2.559 -23.590 1.00 0.00 C ATOM 901 OG1 THR A 61 10.427 2.575 -23.132 1.00 0.00 O ATOM 902 CG2 THR A 61 11.948 1.310 -24.455 1.00 0.00 C ATOM 0 H THR A 61 11.811 1.974 -20.702 1.00 0.00 H new ATOM 0 HA THR A 61 13.740 2.415 -22.860 1.00 0.00 H new ATOM 0 HB THR A 61 11.973 3.448 -24.186 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.818 2.547 -23.900 1.00 0.00 H new ATOM 0 HG21 THR A 61 11.224 1.323 -25.270 1.00 0.00 H new ATOM 0 HG22 THR A 61 12.957 1.296 -24.867 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.793 0.420 -23.846 1.00 0.00 H new ATOM 910 N SER A 62 13.392 4.957 -22.196 1.00 0.00 N ATOM 911 CA SER A 62 13.496 6.216 -21.464 1.00 0.00 C ATOM 912 C SER A 62 12.250 7.097 -21.626 1.00 0.00 C ATOM 913 O SER A 62 11.709 7.203 -22.728 1.00 0.00 O ATOM 914 CB SER A 62 14.729 6.967 -21.909 1.00 0.00 C ATOM 915 OG SER A 62 15.885 6.172 -21.739 1.00 0.00 O ATOM 0 H SER A 62 13.899 4.928 -23.081 1.00 0.00 H new ATOM 0 HA SER A 62 13.575 5.971 -20.405 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.629 7.253 -22.956 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.827 7.888 -21.335 1.00 0.00 H new ATOM 0 HG SER A 62 16.186 6.227 -20.808 1.00 0.00 H new ATOM 921 N ASP A 63 11.838 7.780 -20.553 1.00 0.00 N ATOM 922 CA ASP A 63 10.661 8.674 -20.552 1.00 0.00 C ATOM 923 C ASP A 63 10.851 9.981 -19.744 1.00 0.00 C ATOM 924 O ASP A 63 11.548 9.979 -18.722 1.00 0.00 O ATOM 925 CB ASP A 63 9.412 7.935 -20.055 1.00 0.00 C ATOM 926 CG ASP A 63 8.798 7.023 -21.131 1.00 0.00 C ATOM 927 OD1 ASP A 63 8.300 7.554 -22.153 1.00 0.00 O ATOM 928 OD2 ASP A 63 8.755 5.787 -20.932 1.00 0.00 O ATOM 0 H ASP A 63 12.311 7.732 -19.651 1.00 0.00 H new ATOM 0 HA ASP A 63 10.532 8.972 -21.592 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.672 7.337 -19.182 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.668 8.663 -19.733 1.00 0.00 H new ATOM 933 N PRO A 64 10.238 11.108 -20.168 1.00 0.00 N ATOM 934 CA PRO A 64 10.490 12.430 -19.591 1.00 0.00 C ATOM 935 C PRO A 64 9.568 12.768 -18.411 1.00 0.00 C ATOM 936 O PRO A 64 8.381 12.441 -18.408 1.00 0.00 O ATOM 937 CB PRO A 64 10.300 13.408 -20.753 1.00 0.00 C ATOM 938 CG PRO A 64 9.179 12.752 -21.559 1.00 0.00 C ATOM 939 CD PRO A 64 9.452 11.255 -21.390 1.00 0.00 C ATOM 0 HA PRO A 64 11.491 12.479 -19.162 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.021 14.402 -20.405 1.00 0.00 H new ATOM 0 HB3 PRO A 64 11.211 13.520 -21.342 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.196 13.027 -21.178 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.209 13.051 -22.607 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.518 10.697 -21.319 1.00 0.00 H new ATOM 0 HD3 PRO A 64 9.995 10.861 -22.249 1.00 0.00 H new ATOM 947 N ILE A 65 10.091 13.528 -17.446 1.00 0.00 N ATOM 948 CA ILE A 65 9.398 14.017 -16.242 1.00 0.00 C ATOM 949 C ILE A 65 8.117 14.789 -16.596 1.00 0.00 C ATOM 950 O ILE A 65 7.096 14.661 -15.928 1.00 0.00 O ATOM 951 CB ILE A 65 10.400 14.872 -15.420 1.00 0.00 C ATOM 952 CG1 ILE A 65 9.935 14.995 -13.965 1.00 0.00 C ATOM 953 CG2 ILE A 65 10.673 16.269 -16.017 1.00 0.00 C ATOM 954 CD1 ILE A 65 10.881 15.816 -13.082 1.00 0.00 C ATOM 0 H ILE A 65 11.062 13.838 -17.481 1.00 0.00 H new ATOM 0 HA ILE A 65 9.068 13.174 -15.636 1.00 0.00 H new ATOM 0 HB ILE A 65 11.349 14.338 -15.461 1.00 0.00 H new ATOM 0 HG12 ILE A 65 8.946 15.453 -13.947 1.00 0.00 H new ATOM 0 HG13 ILE A 65 9.831 13.996 -13.541 1.00 0.00 H new ATOM 0 HG21 ILE A 65 11.382 16.803 -15.384 1.00 0.00 H new ATOM 0 HG22 ILE A 65 11.089 16.162 -17.019 1.00 0.00 H new ATOM 0 HG23 ILE A 65 9.740 16.831 -16.070 1.00 0.00 H new ATOM 0 HD11 ILE A 65 10.486 15.859 -12.067 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.865 15.347 -13.069 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.966 16.827 -13.481 1.00 0.00 H new ATOM 966 N GLU A 66 8.147 15.530 -17.710 1.00 0.00 N ATOM 967 CA GLU A 66 7.037 16.370 -18.195 1.00 0.00 C ATOM 968 C GLU A 66 5.738 15.596 -18.504 1.00 0.00 C ATOM 969 O GLU A 66 4.656 16.187 -18.470 1.00 0.00 O ATOM 970 CB GLU A 66 7.484 17.133 -19.458 1.00 0.00 C ATOM 971 CG GLU A 66 8.718 18.018 -19.236 1.00 0.00 C ATOM 972 CD GLU A 66 8.961 18.928 -20.455 1.00 0.00 C ATOM 973 OE1 GLU A 66 9.621 18.489 -21.431 1.00 0.00 O ATOM 974 OE2 GLU A 66 8.494 20.094 -20.454 1.00 0.00 O ATOM 0 H GLU A 66 8.965 15.565 -18.318 1.00 0.00 H new ATOM 0 HA GLU A 66 6.799 17.052 -17.379 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.700 16.415 -20.249 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.660 17.754 -19.808 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.579 18.627 -18.343 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.594 17.393 -19.062 1.00 0.00 H new ATOM 981 N ASN A 67 5.821 14.284 -18.789 1.00 0.00 N ATOM 982 CA ASN A 67 4.646 13.435 -19.061 1.00 0.00 C ATOM 983 C ASN A 67 4.055 12.760 -17.797 1.00 0.00 C ATOM 984 O ASN A 67 2.954 12.208 -17.856 1.00 0.00 O ATOM 985 CB ASN A 67 4.987 12.432 -20.191 1.00 0.00 C ATOM 986 CG ASN A 67 5.169 10.997 -19.712 1.00 0.00 C ATOM 987 OD1 ASN A 67 4.363 10.116 -19.986 1.00 0.00 O ATOM 988 ND2 ASN A 67 6.205 10.718 -18.958 1.00 0.00 N ATOM 0 H ASN A 67 6.707 13.781 -18.837 1.00 0.00 H new ATOM 0 HA ASN A 67 3.838 14.080 -19.405 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.193 12.457 -20.937 1.00 0.00 H new ATOM 0 HB3 ASN A 67 5.901 12.757 -20.688 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.337 9.771 -18.603 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.879 11.448 -18.727 1.00 0.00 H new ATOM 995 N PHE A 68 4.785 12.773 -16.678 1.00 0.00 N ATOM 996 CA PHE A 68 4.481 12.006 -15.464 1.00 0.00 C ATOM 997 C PHE A 68 3.731 12.816 -14.388 1.00 0.00 C ATOM 998 O PHE A 68 3.554 14.030 -14.500 1.00 0.00 O ATOM 999 CB PHE A 68 5.784 11.375 -14.948 1.00 0.00 C ATOM 1000 CG PHE A 68 6.263 10.164 -15.730 1.00 0.00 C ATOM 1001 CD1 PHE A 68 5.429 9.040 -15.888 1.00 0.00 C ATOM 1002 CD2 PHE A 68 7.553 10.147 -16.286 1.00 0.00 C ATOM 1003 CE1 PHE A 68 5.876 7.917 -16.605 1.00 0.00 C ATOM 1004 CE2 PHE A 68 7.997 9.025 -17.010 1.00 0.00 C ATOM 1005 CZ PHE A 68 7.162 7.907 -17.167 1.00 0.00 C ATOM 0 H PHE A 68 5.631 13.335 -16.588 1.00 0.00 H new ATOM 0 HA PHE A 68 3.776 11.215 -15.720 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.568 12.132 -14.963 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.642 11.084 -13.907 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.439 9.041 -15.455 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.206 10.998 -16.157 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.229 7.060 -16.724 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.985 9.024 -17.447 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.507 7.044 -17.717 1.00 0.00 H new ATOM 1015 N ASN A 69 3.262 12.121 -13.342 1.00 0.00 N ATOM 1016 CA ASN A 69 2.344 12.647 -12.321 1.00 0.00 C ATOM 1017 C ASN A 69 2.926 12.580 -10.894 1.00 0.00 C ATOM 1018 O ASN A 69 2.672 11.623 -10.162 1.00 0.00 O ATOM 1019 CB ASN A 69 0.978 11.932 -12.477 1.00 0.00 C ATOM 1020 CG ASN A 69 1.029 10.413 -12.656 1.00 0.00 C ATOM 1021 OD1 ASN A 69 0.693 9.883 -13.707 1.00 0.00 O ATOM 1022 ND2 ASN A 69 1.431 9.666 -11.654 1.00 0.00 N ATOM 0 H ASN A 69 3.519 11.148 -13.178 1.00 0.00 H new ATOM 0 HA ASN A 69 2.195 13.715 -12.482 1.00 0.00 H new ATOM 0 HB2 ASN A 69 0.373 12.154 -11.598 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.462 12.361 -13.336 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.462 8.651 -11.754 1.00 0.00 H new ATOM 0 HD22 ASN A 69 1.713 10.100 -10.775 1.00 0.00 H new ATOM 1029 N ALA A 70 3.659 13.622 -10.470 1.00 0.00 N ATOM 1030 CA ALA A 70 4.316 13.674 -9.154 1.00 0.00 C ATOM 1031 C ALA A 70 3.372 13.333 -7.981 1.00 0.00 C ATOM 1032 O ALA A 70 3.789 12.705 -7.011 1.00 0.00 O ATOM 1033 CB ALA A 70 4.896 15.073 -8.922 1.00 0.00 C ATOM 0 H ALA A 70 3.813 14.457 -11.034 1.00 0.00 H new ATOM 0 HA ALA A 70 5.099 12.916 -9.174 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.382 15.108 -7.947 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.626 15.298 -9.699 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.093 15.810 -8.954 1.00 0.00 H new ATOM 1039 N ASP A 71 2.095 13.714 -8.097 1.00 0.00 N ATOM 1040 CA ASP A 71 1.067 13.531 -7.065 1.00 0.00 C ATOM 1041 C ASP A 71 0.800 12.062 -6.681 1.00 0.00 C ATOM 1042 O ASP A 71 0.342 11.792 -5.569 1.00 0.00 O ATOM 1043 CB ASP A 71 -0.247 14.149 -7.559 1.00 0.00 C ATOM 1044 CG ASP A 71 -0.139 15.672 -7.736 1.00 0.00 C ATOM 1045 OD1 ASP A 71 -0.132 16.398 -6.714 1.00 0.00 O ATOM 1046 OD2 ASP A 71 -0.072 16.141 -8.898 1.00 0.00 O ATOM 0 H ASP A 71 1.737 14.171 -8.936 1.00 0.00 H new ATOM 0 HA ASP A 71 1.448 14.022 -6.169 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.527 13.693 -8.509 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.043 13.922 -6.850 1.00 0.00 H new ATOM 1051 N ASP A 72 1.087 11.110 -7.579 1.00 0.00 N ATOM 1052 CA ASP A 72 0.924 9.672 -7.324 1.00 0.00 C ATOM 1053 C ASP A 72 2.234 8.975 -6.917 1.00 0.00 C ATOM 1054 O ASP A 72 2.257 7.757 -6.757 1.00 0.00 O ATOM 1055 CB ASP A 72 0.264 8.986 -8.527 1.00 0.00 C ATOM 1056 CG ASP A 72 -0.398 7.642 -8.164 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -1.142 7.573 -7.155 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -0.231 6.659 -8.928 1.00 0.00 O ATOM 0 H ASP A 72 1.442 11.318 -8.512 1.00 0.00 H new ATOM 0 HA ASP A 72 0.263 9.575 -6.463 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.487 9.652 -8.951 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.014 8.818 -9.300 1.00 0.00 H new ATOM 1063 N TYR A 73 3.326 9.720 -6.727 1.00 0.00 N ATOM 1064 CA TYR A 73 4.603 9.197 -6.240 1.00 0.00 C ATOM 1065 C TYR A 73 4.833 9.722 -4.817 1.00 0.00 C ATOM 1066 O TYR A 73 5.258 10.858 -4.623 1.00 0.00 O ATOM 1067 CB TYR A 73 5.751 9.556 -7.205 1.00 0.00 C ATOM 1068 CG TYR A 73 5.448 9.401 -8.687 1.00 0.00 C ATOM 1069 CD1 TYR A 73 4.747 8.279 -9.175 1.00 0.00 C ATOM 1070 CD2 TYR A 73 5.864 10.405 -9.580 1.00 0.00 C ATOM 1071 CE1 TYR A 73 4.409 8.196 -10.539 1.00 0.00 C ATOM 1072 CE2 TYR A 73 5.523 10.328 -10.943 1.00 0.00 C ATOM 1073 CZ TYR A 73 4.772 9.235 -11.419 1.00 0.00 C ATOM 1074 OH TYR A 73 4.410 9.189 -12.730 1.00 0.00 O ATOM 0 H TYR A 73 3.347 10.723 -6.911 1.00 0.00 H new ATOM 0 HA TYR A 73 4.578 8.108 -6.204 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.045 10.589 -7.020 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.611 8.932 -6.963 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.469 7.482 -8.501 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.448 11.239 -9.218 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.872 7.336 -10.911 1.00 0.00 H new ATOM 0 HE2 TYR A 73 5.837 11.106 -11.624 1.00 0.00 H new ATOM 0 HH TYR A 73 3.566 8.699 -12.819 1.00 0.00 H new ATOM 1084 N ASP A 74 4.546 8.896 -3.803 1.00 0.00 N ATOM 1085 CA ASP A 74 4.750 9.265 -2.389 1.00 0.00 C ATOM 1086 C ASP A 74 6.193 9.724 -2.117 1.00 0.00 C ATOM 1087 O ASP A 74 6.428 10.629 -1.313 1.00 0.00 O ATOM 1088 CB ASP A 74 4.425 8.068 -1.490 1.00 0.00 C ATOM 1089 CG ASP A 74 2.996 7.557 -1.675 1.00 0.00 C ATOM 1090 OD1 ASP A 74 2.028 8.193 -1.197 1.00 0.00 O ATOM 1091 OD2 ASP A 74 2.851 6.498 -2.332 1.00 0.00 O ATOM 0 H ASP A 74 4.168 7.958 -3.934 1.00 0.00 H new ATOM 0 HA ASP A 74 4.083 10.098 -2.168 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.125 7.260 -1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.572 8.352 -0.448 1.00 0.00 H new ATOM 1096 N VAL A 75 7.157 9.140 -2.837 1.00 0.00 N ATOM 1097 CA VAL A 75 8.569 9.530 -2.815 1.00 0.00 C ATOM 1098 C VAL A 75 9.083 9.816 -4.224 1.00 0.00 C ATOM 1099 O VAL A 75 8.851 9.036 -5.150 1.00 0.00 O ATOM 1100 CB VAL A 75 9.418 8.439 -2.148 1.00 0.00 C ATOM 1101 CG1 VAL A 75 10.877 8.879 -2.009 1.00 0.00 C ATOM 1102 CG2 VAL A 75 8.863 8.056 -0.770 1.00 0.00 C ATOM 0 H VAL A 75 6.970 8.361 -3.469 1.00 0.00 H new ATOM 0 HA VAL A 75 8.655 10.446 -2.231 1.00 0.00 H new ATOM 0 HB VAL A 75 9.373 7.564 -2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.453 8.085 -1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.290 9.085 -2.996 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.929 9.780 -1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.489 7.281 -0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.859 8.933 -0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.845 7.681 -0.879 1.00 0.00 H new ATOM 1112 N VAL A 76 9.859 10.889 -4.376 1.00 0.00 N ATOM 1113 CA VAL A 76 10.610 11.195 -5.605 1.00 0.00 C ATOM 1114 C VAL A 76 12.100 11.272 -5.285 1.00 0.00 C ATOM 1115 O VAL A 76 12.499 11.843 -4.275 1.00 0.00 O ATOM 1116 CB VAL A 76 10.105 12.488 -6.264 1.00 0.00 C ATOM 1117 CG1 VAL A 76 11.023 13.005 -7.384 1.00 0.00 C ATOM 1118 CG2 VAL A 76 8.715 12.265 -6.875 1.00 0.00 C ATOM 0 H VAL A 76 9.989 11.584 -3.641 1.00 0.00 H new ATOM 0 HA VAL A 76 10.449 10.394 -6.326 1.00 0.00 H new ATOM 0 HB VAL A 76 10.082 13.231 -5.467 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.605 13.920 -7.804 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.013 13.212 -6.977 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.103 12.250 -8.166 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.369 13.189 -7.339 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.771 11.479 -7.629 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.017 11.968 -6.092 1.00 0.00 H new ATOM 1128 N ILE A 77 12.929 10.711 -6.159 1.00 0.00 N ATOM 1129 CA ILE A 77 14.379 10.638 -5.987 1.00 0.00 C ATOM 1130 C ILE A 77 15.061 11.225 -7.217 1.00 0.00 C ATOM 1131 O ILE A 77 14.807 10.760 -8.326 1.00 0.00 O ATOM 1132 CB ILE A 77 14.813 9.167 -5.820 1.00 0.00 C ATOM 1133 CG1 ILE A 77 14.023 8.355 -4.769 1.00 0.00 C ATOM 1134 CG2 ILE A 77 16.317 9.085 -5.540 1.00 0.00 C ATOM 1135 CD1 ILE A 77 14.162 8.844 -3.327 1.00 0.00 C ATOM 0 H ILE A 77 12.606 10.284 -7.027 1.00 0.00 H new ATOM 0 HA ILE A 77 14.665 11.202 -5.099 1.00 0.00 H new ATOM 0 HB ILE A 77 14.574 8.694 -6.773 1.00 0.00 H new ATOM 0 HG12 ILE A 77 12.967 8.370 -5.040 1.00 0.00 H new ATOM 0 HG13 ILE A 77 14.349 7.316 -4.816 1.00 0.00 H new ATOM 0 HG21 ILE A 77 16.609 8.041 -5.424 1.00 0.00 H new ATOM 0 HG22 ILE A 77 16.867 9.526 -6.372 1.00 0.00 H new ATOM 0 HG23 ILE A 77 16.547 9.630 -4.624 1.00 0.00 H new ATOM 0 HD11 ILE A 77 13.570 8.208 -2.669 1.00 0.00 H new ATOM 0 HD12 ILE A 77 15.209 8.801 -3.028 1.00 0.00 H new ATOM 0 HD13 ILE A 77 13.806 9.872 -3.255 1.00 0.00 H new ATOM 1147 N SER A 78 15.936 12.213 -7.049 1.00 0.00 N ATOM 1148 CA SER A 78 16.817 12.675 -8.125 1.00 0.00 C ATOM 1149 C SER A 78 18.147 11.928 -8.035 1.00 0.00 C ATOM 1150 O SER A 78 18.628 11.618 -6.948 1.00 0.00 O ATOM 1151 CB SER A 78 17.036 14.181 -8.087 1.00 0.00 C ATOM 1152 OG SER A 78 17.776 14.546 -9.245 1.00 0.00 O ATOM 0 H SER A 78 16.056 12.715 -6.169 1.00 0.00 H new ATOM 0 HA SER A 78 16.335 12.459 -9.079 1.00 0.00 H new ATOM 0 HB2 SER A 78 16.080 14.705 -8.065 1.00 0.00 H new ATOM 0 HB3 SER A 78 17.576 14.465 -7.184 1.00 0.00 H new ATOM 0 HG SER A 78 17.929 15.514 -9.244 1.00 0.00 H new ATOM 1158 N LEU A 79 18.737 11.617 -9.186 1.00 0.00 N ATOM 1159 CA LEU A 79 20.049 10.984 -9.321 1.00 0.00 C ATOM 1160 C LEU A 79 20.892 11.755 -10.344 1.00 0.00 C ATOM 1161 O LEU A 79 21.649 11.155 -11.100 1.00 0.00 O ATOM 1162 CB LEU A 79 19.904 9.478 -9.665 1.00 0.00 C ATOM 1163 CG LEU A 79 18.998 8.639 -8.734 1.00 0.00 C ATOM 1164 CD1 LEU A 79 17.547 8.601 -9.222 1.00 0.00 C ATOM 1165 CD2 LEU A 79 19.457 7.179 -8.705 1.00 0.00 C ATOM 0 H LEU A 79 18.298 11.806 -10.087 1.00 0.00 H new ATOM 0 HA LEU A 79 20.576 11.026 -8.368 1.00 0.00 H new ATOM 0 HB2 LEU A 79 19.517 9.396 -10.681 1.00 0.00 H new ATOM 0 HB3 LEU A 79 20.898 9.031 -9.666 1.00 0.00 H new ATOM 0 HG LEU A 79 19.065 9.113 -7.755 1.00 0.00 H new ATOM 0 HD11 LEU A 79 16.948 8.001 -8.537 1.00 0.00 H new ATOM 0 HD12 LEU A 79 17.149 9.615 -9.259 1.00 0.00 H new ATOM 0 HD13 LEU A 79 17.510 8.160 -10.218 1.00 0.00 H new ATOM 0 HD21 LEU A 79 18.806 6.606 -8.044 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.410 6.763 -9.711 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.482 7.127 -8.339 1.00 0.00 H new ATOM 1213 N VAL A 84 20.506 20.369 -10.745 1.00 0.00 N ATOM 1214 CA VAL A 84 19.087 19.966 -10.798 1.00 0.00 C ATOM 1215 C VAL A 84 18.428 20.067 -9.416 1.00 0.00 C ATOM 1216 O VAL A 84 18.944 19.521 -8.439 1.00 0.00 O ATOM 1217 CB VAL A 84 18.964 18.532 -11.356 1.00 0.00 C ATOM 1218 CG1 VAL A 84 17.498 18.106 -11.525 1.00 0.00 C ATOM 1219 CG2 VAL A 84 19.660 18.407 -12.720 1.00 0.00 C ATOM 0 HA VAL A 84 18.563 20.650 -11.465 1.00 0.00 H new ATOM 0 HB VAL A 84 19.446 17.880 -10.628 1.00 0.00 H new ATOM 0 HG11 VAL A 84 17.457 17.091 -11.920 1.00 0.00 H new ATOM 0 HG12 VAL A 84 16.996 18.140 -10.558 1.00 0.00 H new ATOM 0 HG13 VAL A 84 16.999 18.785 -12.217 1.00 0.00 H new ATOM 0 HG21 VAL A 84 19.557 17.386 -13.089 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.200 19.097 -13.428 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.717 18.649 -12.613 1.00 0.00 H new ATOM 1229 N ASN A 85 17.269 20.739 -9.339 1.00 0.00 N ATOM 1230 CA ASN A 85 16.545 20.989 -8.078 1.00 0.00 C ATOM 1231 C ASN A 85 15.030 20.659 -8.104 1.00 0.00 C ATOM 1232 O ASN A 85 14.393 20.740 -7.055 1.00 0.00 O ATOM 1233 CB ASN A 85 16.800 22.456 -7.667 1.00 0.00 C ATOM 1234 CG ASN A 85 18.273 22.769 -7.436 1.00 0.00 C ATOM 1235 OD1 ASN A 85 18.938 23.379 -8.262 1.00 0.00 O ATOM 1236 ND2 ASN A 85 18.833 22.360 -6.317 1.00 0.00 N ATOM 0 H ASN A 85 16.801 21.129 -10.157 1.00 0.00 H new ATOM 0 HA ASN A 85 16.938 20.294 -7.336 1.00 0.00 H new ATOM 0 HB2 ASN A 85 16.413 23.116 -8.443 1.00 0.00 H new ATOM 0 HB3 ASN A 85 16.242 22.673 -6.756 1.00 0.00 H new ATOM 0 HD21 ASN A 85 19.819 22.552 -6.140 1.00 0.00 H new ATOM 0 HD22 ASN A 85 18.281 21.851 -5.627 1.00 0.00 H new ATOM 1243 N LEU A 86 14.454 20.301 -9.267 1.00 0.00 N ATOM 1244 CA LEU A 86 13.011 20.025 -9.477 1.00 0.00 C ATOM 1245 C LEU A 86 12.045 21.023 -8.775 1.00 0.00 C ATOM 1246 O LEU A 86 11.274 20.616 -7.909 1.00 0.00 O ATOM 1247 CB LEU A 86 12.708 18.549 -9.122 1.00 0.00 C ATOM 1248 CG LEU A 86 13.452 17.455 -9.889 1.00 0.00 C ATOM 1249 CD1 LEU A 86 12.890 16.100 -9.449 1.00 0.00 C ATOM 1250 CD2 LEU A 86 13.223 17.607 -11.389 1.00 0.00 C ATOM 0 H LEU A 86 14.998 20.190 -10.123 1.00 0.00 H new ATOM 0 HA LEU A 86 12.810 20.188 -10.536 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.916 18.412 -8.061 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.639 18.385 -9.261 1.00 0.00 H new ATOM 0 HG LEU A 86 14.520 17.529 -9.682 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.405 15.302 -9.983 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.040 15.975 -8.377 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.824 16.058 -9.674 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.759 16.821 -11.920 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.157 17.529 -11.604 1.00 0.00 H new ATOM 0 HD23 LEU A 86 13.589 18.580 -11.716 1.00 0.00 H new ATOM 1262 N PRO A 87 12.022 22.314 -9.170 1.00 0.00 N ATOM 1263 CA PRO A 87 11.137 23.333 -8.578 1.00 0.00 C ATOM 1264 C PRO A 87 9.620 23.032 -8.442 1.00 0.00 C ATOM 1265 O PRO A 87 9.020 23.617 -7.532 1.00 0.00 O ATOM 1266 CB PRO A 87 11.343 24.588 -9.433 1.00 0.00 C ATOM 1267 CG PRO A 87 12.776 24.441 -9.935 1.00 0.00 C ATOM 1268 CD PRO A 87 12.891 22.938 -10.167 1.00 0.00 C ATOM 0 HA PRO A 87 11.428 23.413 -7.531 1.00 0.00 H new ATOM 0 HB2 PRO A 87 10.631 24.634 -10.257 1.00 0.00 H new ATOM 0 HB3 PRO A 87 11.213 25.499 -8.848 1.00 0.00 H new ATOM 0 HG2 PRO A 87 12.945 25.007 -10.851 1.00 0.00 H new ATOM 0 HG3 PRO A 87 13.501 24.795 -9.202 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.580 22.673 -11.178 1.00 0.00 H new ATOM 0 HD3 PRO A 87 13.922 22.602 -10.053 1.00 0.00 H new ATOM 1276 N PRO A 88 8.958 22.203 -9.291 1.00 0.00 N ATOM 1277 CA PRO A 88 7.508 21.964 -9.198 1.00 0.00 C ATOM 1278 C PRO A 88 7.082 21.017 -8.052 1.00 0.00 C ATOM 1279 O PRO A 88 7.835 20.746 -7.118 1.00 0.00 O ATOM 1280 CB PRO A 88 7.094 21.433 -10.582 1.00 0.00 C ATOM 1281 CG PRO A 88 8.275 21.679 -11.507 1.00 0.00 C ATOM 1282 CD PRO A 88 9.454 21.657 -10.548 1.00 0.00 C ATOM 0 HA PRO A 88 6.995 22.890 -8.940 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.853 20.371 -10.534 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.203 21.946 -10.944 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.359 20.907 -12.272 1.00 0.00 H new ATOM 0 HG3 PRO A 88 8.192 22.634 -12.026 1.00 0.00 H new ATOM 0 HD2 PRO A 88 9.828 20.642 -10.412 1.00 0.00 H new ATOM 0 HD3 PRO A 88 10.282 22.253 -10.933 1.00 0.00 H new ATOM 1290 N GLU A 89 5.874 20.442 -8.138 1.00 0.00 N ATOM 1291 CA GLU A 89 5.342 19.446 -7.184 1.00 0.00 C ATOM 1292 C GLU A 89 6.182 18.154 -7.045 1.00 0.00 C ATOM 1293 O GLU A 89 5.978 17.358 -6.132 1.00 0.00 O ATOM 1294 CB GLU A 89 3.867 19.119 -7.490 1.00 0.00 C ATOM 1295 CG GLU A 89 3.573 18.680 -8.935 1.00 0.00 C ATOM 1296 CD GLU A 89 3.086 19.865 -9.797 1.00 0.00 C ATOM 1297 OE1 GLU A 89 3.913 20.728 -10.168 1.00 0.00 O ATOM 1298 OE2 GLU A 89 1.870 19.944 -10.102 1.00 0.00 O ATOM 0 H GLU A 89 5.220 20.659 -8.890 1.00 0.00 H new ATOM 0 HA GLU A 89 5.412 19.929 -6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.540 18.328 -6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.264 19.999 -7.266 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.473 18.253 -9.377 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.816 17.896 -8.932 1.00 0.00 H new ATOM 1305 N TRP A 90 7.197 17.971 -7.891 1.00 0.00 N ATOM 1306 CA TRP A 90 8.205 16.907 -7.807 1.00 0.00 C ATOM 1307 C TRP A 90 9.024 16.899 -6.503 1.00 0.00 C ATOM 1308 O TRP A 90 9.626 15.879 -6.176 1.00 0.00 O ATOM 1309 CB TRP A 90 9.095 17.007 -9.044 1.00 0.00 C ATOM 1310 CG TRP A 90 8.376 16.551 -10.274 1.00 0.00 C ATOM 1311 CD1 TRP A 90 7.654 17.319 -11.124 1.00 0.00 C ATOM 1312 CD2 TRP A 90 8.259 15.192 -10.784 1.00 0.00 C ATOM 1313 NE1 TRP A 90 7.010 16.512 -12.045 1.00 0.00 N ATOM 1314 CE2 TRP A 90 7.354 15.187 -11.884 1.00 0.00 C ATOM 1315 CE3 TRP A 90 8.879 13.975 -10.449 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 7.043 14.014 -12.588 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 8.636 12.812 -11.193 1.00 0.00 C ATOM 1318 CH2 TRP A 90 7.716 12.828 -12.253 1.00 0.00 C ATOM 0 H TRP A 90 7.348 18.587 -8.690 1.00 0.00 H new ATOM 0 HA TRP A 90 7.683 15.950 -7.782 1.00 0.00 H new ATOM 0 HB2 TRP A 90 9.424 18.038 -9.175 1.00 0.00 H new ATOM 0 HB3 TRP A 90 9.990 16.403 -8.899 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.591 18.397 -11.088 1.00 0.00 H new ATOM 0 HE1 TRP A 90 6.362 16.855 -12.754 1.00 0.00 H new ATOM 0 HE3 TRP A 90 9.553 13.936 -9.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 6.301 14.023 -13.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 9.159 11.899 -10.949 1.00 0.00 H new ATOM 0 HH2 TRP A 90 7.525 11.925 -12.813 1.00 0.00 H new ATOM 1329 N VAL A 91 8.999 17.985 -5.722 1.00 0.00 N ATOM 1330 CA VAL A 91 9.634 18.071 -4.388 1.00 0.00 C ATOM 1331 C VAL A 91 8.646 18.326 -3.240 1.00 0.00 C ATOM 1332 O VAL A 91 9.063 18.436 -2.087 1.00 0.00 O ATOM 1333 CB VAL A 91 10.800 19.082 -4.371 1.00 0.00 C ATOM 1334 CG1 VAL A 91 11.886 18.684 -5.371 1.00 0.00 C ATOM 1335 CG2 VAL A 91 10.351 20.524 -4.634 1.00 0.00 C ATOM 0 H VAL A 91 8.530 18.848 -5.998 1.00 0.00 H new ATOM 0 HA VAL A 91 10.046 17.079 -4.202 1.00 0.00 H new ATOM 0 HB VAL A 91 11.208 19.051 -3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 91 12.695 19.413 -5.338 1.00 0.00 H new ATOM 0 HG12 VAL A 91 12.275 17.699 -5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.463 18.656 -6.375 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.217 21.185 -4.609 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.877 20.584 -5.614 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.639 20.829 -3.867 1.00 0.00 H new ATOM 1345 N THR A 92 7.336 18.379 -3.519 1.00 0.00 N ATOM 1346 CA THR A 92 6.273 18.599 -2.509 1.00 0.00 C ATOM 1347 C THR A 92 5.606 17.297 -2.034 1.00 0.00 C ATOM 1348 O THR A 92 4.619 17.331 -1.293 1.00 0.00 O ATOM 1349 CB THR A 92 5.214 19.602 -2.998 1.00 0.00 C ATOM 1350 OG1 THR A 92 4.481 19.048 -4.066 1.00 0.00 O ATOM 1351 CG2 THR A 92 5.828 20.914 -3.493 1.00 0.00 C ATOM 0 H THR A 92 6.972 18.269 -4.466 1.00 0.00 H new ATOM 0 HA THR A 92 6.780 19.028 -1.645 1.00 0.00 H new ATOM 0 HB THR A 92 4.575 19.813 -2.141 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.074 18.498 -4.619 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.035 21.584 -3.826 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.384 21.384 -2.682 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.503 20.709 -4.324 1.00 0.00 H new ATOM 1359 N GLN A 93 6.149 16.140 -2.439 1.00 0.00 N ATOM 1360 CA GLN A 93 5.688 14.809 -2.022 1.00 0.00 C ATOM 1361 C GLN A 93 6.160 14.472 -0.589 1.00 0.00 C ATOM 1362 O GLN A 93 6.724 15.330 0.096 1.00 0.00 O ATOM 1363 CB GLN A 93 6.105 13.773 -3.084 1.00 0.00 C ATOM 1364 CG GLN A 93 5.651 14.153 -4.509 1.00 0.00 C ATOM 1365 CD GLN A 93 4.178 14.585 -4.579 1.00 0.00 C ATOM 1366 OE1 GLN A 93 3.273 13.934 -4.069 1.00 0.00 O ATOM 1367 NE2 GLN A 93 3.893 15.737 -5.153 1.00 0.00 N ATOM 0 H GLN A 93 6.940 16.104 -3.081 1.00 0.00 H new ATOM 0 HA GLN A 93 4.600 14.790 -1.966 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.189 13.664 -3.071 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.684 12.802 -2.821 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.279 14.963 -4.880 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.805 13.302 -5.172 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.635 16.290 -5.582 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.931 16.075 -5.168 1.00 0.00 H new ATOM 1376 N GLU A 94 5.921 13.251 -0.091 1.00 0.00 N ATOM 1377 CA GLU A 94 6.191 12.932 1.329 1.00 0.00 C ATOM 1378 C GLU A 94 7.689 12.998 1.661 1.00 0.00 C ATOM 1379 O GLU A 94 8.072 13.468 2.735 1.00 0.00 O ATOM 1380 CB GLU A 94 5.675 11.544 1.754 1.00 0.00 C ATOM 1381 CG GLU A 94 4.241 11.226 1.325 1.00 0.00 C ATOM 1382 CD GLU A 94 3.542 10.301 2.339 1.00 0.00 C ATOM 1383 OE1 GLU A 94 3.806 9.076 2.338 1.00 0.00 O ATOM 1384 OE2 GLU A 94 2.716 10.790 3.149 1.00 0.00 O ATOM 0 H GLU A 94 5.547 12.474 -0.636 1.00 0.00 H new ATOM 0 HA GLU A 94 5.647 13.696 1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.338 10.784 1.340 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.739 11.466 2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.676 12.153 1.226 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.250 10.752 0.344 1.00 0.00 H new ATOM 1391 N ILE A 95 8.525 12.526 0.727 1.00 0.00 N ATOM 1392 CA ILE A 95 9.986 12.484 0.838 1.00 0.00 C ATOM 1393 C ILE A 95 10.601 12.820 -0.528 1.00 0.00 C ATOM 1394 O ILE A 95 10.155 12.312 -1.560 1.00 0.00 O ATOM 1395 CB ILE A 95 10.475 11.096 1.338 1.00 0.00 C ATOM 1396 CG1 ILE A 95 9.751 10.613 2.619 1.00 0.00 C ATOM 1397 CG2 ILE A 95 12.004 11.105 1.554 1.00 0.00 C ATOM 1398 CD1 ILE A 95 10.079 9.169 3.015 1.00 0.00 C ATOM 0 H ILE A 95 8.188 12.149 -0.159 1.00 0.00 H new ATOM 0 HA ILE A 95 10.308 13.221 1.573 1.00 0.00 H new ATOM 0 HB ILE A 95 10.222 10.383 0.554 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.016 11.274 3.444 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.675 10.703 2.471 1.00 0.00 H new ATOM 0 HG21 ILE A 95 12.328 10.125 1.904 1.00 0.00 H new ATOM 0 HG22 ILE A 95 12.503 11.337 0.613 1.00 0.00 H new ATOM 0 HG23 ILE A 95 12.262 11.859 2.297 1.00 0.00 H new ATOM 0 HD11 ILE A 95 9.533 8.907 3.921 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.788 8.496 2.209 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.150 9.076 3.197 1.00 0.00 H new ATOM 1410 N PHE A 96 11.647 13.646 -0.530 1.00 0.00 N ATOM 1411 CA PHE A 96 12.496 13.896 -1.694 1.00 0.00 C ATOM 1412 C PHE A 96 13.972 13.707 -1.311 1.00 0.00 C ATOM 1413 O PHE A 96 14.410 14.196 -0.267 1.00 0.00 O ATOM 1414 CB PHE A 96 12.210 15.273 -2.314 1.00 0.00 C ATOM 1415 CG PHE A 96 13.175 15.618 -3.435 1.00 0.00 C ATOM 1416 CD1 PHE A 96 12.964 15.141 -4.747 1.00 0.00 C ATOM 1417 CD2 PHE A 96 14.337 16.363 -3.148 1.00 0.00 C ATOM 1418 CE1 PHE A 96 13.932 15.369 -5.744 1.00 0.00 C ATOM 1419 CE2 PHE A 96 15.289 16.613 -4.154 1.00 0.00 C ATOM 1420 CZ PHE A 96 15.091 16.110 -5.449 1.00 0.00 C ATOM 0 H PHE A 96 11.934 14.171 0.296 1.00 0.00 H new ATOM 0 HA PHE A 96 12.261 13.168 -2.470 1.00 0.00 H new ATOM 0 HB2 PHE A 96 11.190 15.290 -2.699 1.00 0.00 H new ATOM 0 HB3 PHE A 96 12.271 16.037 -1.539 1.00 0.00 H new ATOM 0 HD1 PHE A 96 12.060 14.601 -4.986 1.00 0.00 H new ATOM 0 HD2 PHE A 96 14.498 16.744 -2.150 1.00 0.00 H new ATOM 0 HE1 PHE A 96 13.784 14.974 -6.738 1.00 0.00 H new ATOM 0 HE2 PHE A 96 16.172 17.192 -3.929 1.00 0.00 H new ATOM 0 HZ PHE A 96 15.827 16.291 -6.218 1.00 0.00 H new ATOM 1430 N GLU A 97 14.740 13.002 -2.145 1.00 0.00 N ATOM 1431 CA GLU A 97 16.181 12.768 -1.959 1.00 0.00 C ATOM 1432 C GLU A 97 16.970 13.017 -3.256 1.00 0.00 C ATOM 1433 O GLU A 97 16.426 12.897 -4.354 1.00 0.00 O ATOM 1434 CB GLU A 97 16.459 11.343 -1.452 1.00 0.00 C ATOM 1435 CG GLU A 97 15.749 10.987 -0.136 1.00 0.00 C ATOM 1436 CD GLU A 97 16.199 9.616 0.414 1.00 0.00 C ATOM 1437 OE1 GLU A 97 17.422 9.347 0.469 1.00 0.00 O ATOM 1438 OE2 GLU A 97 15.328 8.810 0.819 1.00 0.00 O ATOM 0 H GLU A 97 14.372 12.566 -2.990 1.00 0.00 H new ATOM 0 HA GLU A 97 16.517 13.481 -1.206 1.00 0.00 H new ATOM 0 HB2 GLU A 97 16.154 10.632 -2.219 1.00 0.00 H new ATOM 0 HB3 GLU A 97 17.534 11.222 -1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.953 11.759 0.606 1.00 0.00 H new ATOM 0 HG3 GLU A 97 14.671 10.976 -0.297 1.00 0.00 H new ATOM 1445 N ASP A 98 18.270 13.315 -3.137 1.00 0.00 N ATOM 1446 CA ASP A 98 19.169 13.585 -4.267 1.00 0.00 C ATOM 1447 C ASP A 98 20.454 12.742 -4.163 1.00 0.00 C ATOM 1448 O ASP A 98 21.414 13.116 -3.486 1.00 0.00 O ATOM 1449 CB ASP A 98 19.443 15.093 -4.340 1.00 0.00 C ATOM 1450 CG ASP A 98 20.459 15.468 -5.435 1.00 0.00 C ATOM 1451 OD1 ASP A 98 20.477 14.823 -6.511 1.00 0.00 O ATOM 1452 OD2 ASP A 98 21.233 16.429 -5.214 1.00 0.00 O ATOM 0 H ASP A 98 18.737 13.377 -2.232 1.00 0.00 H new ATOM 0 HA ASP A 98 18.694 13.287 -5.202 1.00 0.00 H new ATOM 0 HB2 ASP A 98 18.506 15.618 -4.526 1.00 0.00 H new ATOM 0 HB3 ASP A 98 19.815 15.436 -3.374 1.00 0.00 H new ATOM 1457 N TRP A 99 20.453 11.574 -4.812 1.00 0.00 N ATOM 1458 CA TRP A 99 21.530 10.579 -4.790 1.00 0.00 C ATOM 1459 C TRP A 99 22.529 10.829 -5.924 1.00 0.00 C ATOM 1460 O TRP A 99 22.515 10.160 -6.959 1.00 0.00 O ATOM 1461 CB TRP A 99 20.939 9.158 -4.839 1.00 0.00 C ATOM 1462 CG TRP A 99 19.881 8.779 -3.843 1.00 0.00 C ATOM 1463 CD1 TRP A 99 19.592 9.390 -2.670 1.00 0.00 C ATOM 1464 CD2 TRP A 99 18.946 7.664 -3.941 1.00 0.00 C ATOM 1465 NE1 TRP A 99 18.533 8.747 -2.061 1.00 0.00 N ATOM 1466 CE2 TRP A 99 18.084 7.682 -2.807 1.00 0.00 C ATOM 1467 CE3 TRP A 99 18.749 6.631 -4.882 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 17.071 6.731 -2.618 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 17.720 5.683 -4.716 1.00 0.00 C ATOM 1470 CH2 TRP A 99 16.881 5.728 -3.586 1.00 0.00 C ATOM 0 H TRP A 99 19.667 11.283 -5.393 1.00 0.00 H new ATOM 0 HA TRP A 99 22.083 10.675 -3.856 1.00 0.00 H new ATOM 0 HB2 TRP A 99 20.523 9.008 -5.835 1.00 0.00 H new ATOM 0 HB3 TRP A 99 21.764 8.454 -4.728 1.00 0.00 H new ATOM 0 HD1 TRP A 99 20.111 10.249 -2.271 1.00 0.00 H new ATOM 0 HE1 TRP A 99 18.132 9.028 -1.166 1.00 0.00 H new ATOM 0 HE3 TRP A 99 19.397 6.566 -5.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 16.444 6.768 -1.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 17.574 4.915 -5.462 1.00 0.00 H new ATOM 0 HH2 TRP A 99 16.096 4.997 -3.463 1.00 0.00 H new ATOM 1481 N GLN A 100 23.396 11.824 -5.745 1.00 0.00 N ATOM 1482 CA GLN A 100 24.408 12.187 -6.742 1.00 0.00 C ATOM 1483 C GLN A 100 25.478 11.079 -6.869 1.00 0.00 C ATOM 1484 O GLN A 100 26.032 10.629 -5.863 1.00 0.00 O ATOM 1485 CB GLN A 100 25.043 13.540 -6.394 1.00 0.00 C ATOM 1486 CG GLN A 100 24.015 14.675 -6.247 1.00 0.00 C ATOM 1487 CD GLN A 100 24.653 16.060 -6.112 1.00 0.00 C ATOM 1488 OE1 GLN A 100 25.821 16.290 -6.400 1.00 0.00 O ATOM 1489 NE2 GLN A 100 23.898 17.047 -5.698 1.00 0.00 N ATOM 0 H GLN A 100 23.419 12.403 -4.905 1.00 0.00 H new ATOM 0 HA GLN A 100 23.919 12.284 -7.711 1.00 0.00 H new ATOM 0 HB2 GLN A 100 25.602 13.443 -5.463 1.00 0.00 H new ATOM 0 HB3 GLN A 100 25.760 13.807 -7.170 1.00 0.00 H new ATOM 0 HG2 GLN A 100 23.354 14.671 -7.114 1.00 0.00 H new ATOM 0 HG3 GLN A 100 23.395 14.482 -5.372 1.00 0.00 H new ATOM 0 HE21 GLN A 100 22.923 16.875 -5.453 1.00 0.00 H new ATOM 0 HE22 GLN A 100 24.285 17.987 -5.620 1.00 0.00 H new ATOM 1498 N LEU A 101 25.775 10.651 -8.103 1.00 0.00 N ATOM 1499 CA LEU A 101 26.762 9.612 -8.448 1.00 0.00 C ATOM 1500 C LEU A 101 27.518 10.005 -9.738 1.00 0.00 C ATOM 1501 O LEU A 101 27.136 10.955 -10.421 1.00 0.00 O ATOM 1502 CB LEU A 101 26.045 8.244 -8.601 1.00 0.00 C ATOM 1503 CG LEU A 101 25.542 7.572 -7.302 1.00 0.00 C ATOM 1504 CD1 LEU A 101 24.854 6.249 -7.634 1.00 0.00 C ATOM 1505 CD2 LEU A 101 26.670 7.250 -6.324 1.00 0.00 C ATOM 0 H LEU A 101 25.314 11.035 -8.928 1.00 0.00 H new ATOM 0 HA LEU A 101 27.497 9.523 -7.648 1.00 0.00 H new ATOM 0 HB2 LEU A 101 25.192 8.380 -9.266 1.00 0.00 H new ATOM 0 HB3 LEU A 101 26.729 7.555 -9.097 1.00 0.00 H new ATOM 0 HG LEU A 101 24.861 8.286 -6.839 1.00 0.00 H new ATOM 0 HD11 LEU A 101 24.502 5.781 -6.715 1.00 0.00 H new ATOM 0 HD12 LEU A 101 24.007 6.435 -8.294 1.00 0.00 H new ATOM 0 HD13 LEU A 101 25.562 5.586 -8.131 1.00 0.00 H new ATOM 0 HD21 LEU A 101 26.255 6.780 -5.432 1.00 0.00 H new ATOM 0 HD22 LEU A 101 27.378 6.569 -6.797 1.00 0.00 H new ATOM 0 HD23 LEU A 101 27.183 8.170 -6.044 1.00 0.00 H new ATOM 1517 N GLU A 102 28.578 9.270 -10.090 1.00 0.00 N ATOM 1518 CA GLU A 102 29.312 9.445 -11.354 1.00 0.00 C ATOM 1519 C GLU A 102 28.517 8.931 -12.567 1.00 0.00 C ATOM 1520 O GLU A 102 27.380 8.473 -12.445 1.00 0.00 O ATOM 1521 CB GLU A 102 30.715 8.824 -11.247 1.00 0.00 C ATOM 1522 CG GLU A 102 30.744 7.299 -11.069 1.00 0.00 C ATOM 1523 CD GLU A 102 32.165 6.818 -10.708 1.00 0.00 C ATOM 1524 OE1 GLU A 102 33.131 7.130 -11.447 1.00 0.00 O ATOM 1525 OE2 GLU A 102 32.329 6.124 -9.676 1.00 0.00 O ATOM 0 H GLU A 102 28.957 8.528 -9.501 1.00 0.00 H new ATOM 0 HA GLU A 102 29.441 10.513 -11.528 1.00 0.00 H new ATOM 0 HB2 GLU A 102 31.277 9.080 -12.145 1.00 0.00 H new ATOM 0 HB3 GLU A 102 31.234 9.282 -10.405 1.00 0.00 H new ATOM 0 HG2 GLU A 102 30.046 7.006 -10.285 1.00 0.00 H new ATOM 0 HG3 GLU A 102 30.413 6.814 -11.988 1.00 0.00 H new ATOM 1532 N ASP A 103 29.064 9.082 -13.770 1.00 0.00 N ATOM 1533 CA ASP A 103 28.402 8.727 -15.035 1.00 0.00 C ATOM 1534 C ASP A 103 29.140 7.594 -15.776 1.00 0.00 C ATOM 1535 O ASP A 103 30.134 7.876 -16.446 1.00 0.00 O ATOM 1536 CB ASP A 103 28.258 9.988 -15.903 1.00 0.00 C ATOM 1537 CG ASP A 103 27.502 9.690 -17.207 1.00 0.00 C ATOM 1538 OD1 ASP A 103 26.580 8.842 -17.197 1.00 0.00 O ATOM 1539 OD2 ASP A 103 27.764 10.325 -18.252 1.00 0.00 O ATOM 0 H ASP A 103 30.001 9.463 -13.902 1.00 0.00 H new ATOM 0 HA ASP A 103 27.408 8.338 -14.814 1.00 0.00 H new ATOM 0 HB2 ASP A 103 27.729 10.759 -15.342 1.00 0.00 H new ATOM 0 HB3 ASP A 103 29.246 10.385 -16.136 1.00 0.00 H new ATOM 1544 N PRO A 104 28.676 6.326 -15.671 1.00 0.00 N ATOM 1545 CA PRO A 104 29.342 5.155 -16.261 1.00 0.00 C ATOM 1546 C PRO A 104 29.363 5.084 -17.792 1.00 0.00 C ATOM 1547 O PRO A 104 30.140 4.312 -18.350 1.00 0.00 O ATOM 1548 CB PRO A 104 28.615 3.939 -15.693 1.00 0.00 C ATOM 1549 CG PRO A 104 28.003 4.439 -14.394 1.00 0.00 C ATOM 1550 CD PRO A 104 27.625 5.868 -14.767 1.00 0.00 C ATOM 0 HA PRO A 104 30.399 5.209 -16.001 1.00 0.00 H new ATOM 0 HB2 PRO A 104 27.850 3.577 -16.380 1.00 0.00 H new ATOM 0 HB3 PRO A 104 29.302 3.112 -15.516 1.00 0.00 H new ATOM 0 HG2 PRO A 104 27.136 3.850 -14.096 1.00 0.00 H new ATOM 0 HG3 PRO A 104 28.712 4.405 -13.567 1.00 0.00 H new ATOM 0 HD2 PRO A 104 26.649 5.902 -15.251 1.00 0.00 H new ATOM 0 HD3 PRO A 104 27.565 6.502 -13.882 1.00 0.00 H new ATOM 1558 N ASP A 105 28.539 5.875 -18.476 1.00 0.00 N ATOM 1559 CA ASP A 105 28.444 5.919 -19.938 1.00 0.00 C ATOM 1560 C ASP A 105 29.816 6.188 -20.599 1.00 0.00 C ATOM 1561 O ASP A 105 30.352 7.299 -20.531 1.00 0.00 O ATOM 1562 CB ASP A 105 27.403 6.989 -20.295 1.00 0.00 C ATOM 1563 CG ASP A 105 27.189 7.229 -21.801 1.00 0.00 C ATOM 1564 OD1 ASP A 105 27.646 6.412 -22.638 1.00 0.00 O ATOM 1565 OD2 ASP A 105 26.524 8.242 -22.136 1.00 0.00 O ATOM 0 H ASP A 105 27.899 6.523 -18.017 1.00 0.00 H new ATOM 0 HA ASP A 105 28.129 4.951 -20.327 1.00 0.00 H new ATOM 0 HB2 ASP A 105 26.449 6.705 -19.851 1.00 0.00 H new ATOM 0 HB3 ASP A 105 27.702 7.930 -19.834 1.00 0.00 H new ATOM 1570 N GLY A 106 30.390 5.151 -21.228 1.00 0.00 N ATOM 1571 CA GLY A 106 31.701 5.209 -21.886 1.00 0.00 C ATOM 1572 C GLY A 106 32.908 5.092 -20.943 1.00 0.00 C ATOM 1573 O GLY A 106 34.025 5.420 -21.352 1.00 0.00 O ATOM 0 H GLY A 106 29.948 4.234 -21.294 1.00 0.00 H new ATOM 0 HA2 GLY A 106 31.756 4.408 -22.623 1.00 0.00 H new ATOM 0 HA3 GLY A 106 31.775 6.150 -22.431 1.00 0.00 H new ATOM 1577 N GLN A 107 32.705 4.647 -19.696 1.00 0.00 N ATOM 1578 CA GLN A 107 33.768 4.499 -18.685 1.00 0.00 C ATOM 1579 C GLN A 107 34.360 3.073 -18.681 1.00 0.00 C ATOM 1580 O GLN A 107 35.200 2.738 -19.521 1.00 0.00 O ATOM 1581 CB GLN A 107 33.281 4.937 -17.285 1.00 0.00 C ATOM 1582 CG GLN A 107 32.615 6.311 -17.195 1.00 0.00 C ATOM 1583 CD GLN A 107 33.487 7.529 -17.469 1.00 0.00 C ATOM 1584 OE1 GLN A 107 34.684 7.468 -17.713 1.00 0.00 O ATOM 1585 NE2 GLN A 107 32.888 8.699 -17.406 1.00 0.00 N ATOM 0 H GLN A 107 31.784 4.375 -19.353 1.00 0.00 H new ATOM 0 HA GLN A 107 34.580 5.171 -18.962 1.00 0.00 H new ATOM 0 HB2 GLN A 107 32.575 4.191 -16.920 1.00 0.00 H new ATOM 0 HB3 GLN A 107 34.135 4.926 -16.608 1.00 0.00 H new ATOM 0 HG2 GLN A 107 31.781 6.328 -17.897 1.00 0.00 H new ATOM 0 HG3 GLN A 107 32.193 6.416 -16.196 1.00 0.00 H new ATOM 0 HE21 GLN A 107 31.890 8.751 -17.203 1.00 0.00 H new ATOM 0 HE22 GLN A 107 33.422 9.554 -17.561 1.00 0.00 H new ATOM 1594 N SER A 108 33.923 2.230 -17.740 1.00 0.00 N ATOM 1595 CA SER A 108 34.328 0.830 -17.567 1.00 0.00 C ATOM 1596 C SER A 108 33.256 0.051 -16.803 1.00 0.00 C ATOM 1597 O SER A 108 32.422 0.644 -16.113 1.00 0.00 O ATOM 1598 CB SER A 108 35.665 0.744 -16.813 1.00 0.00 C ATOM 1599 OG SER A 108 35.500 1.088 -15.443 1.00 0.00 O ATOM 0 H SER A 108 33.240 2.521 -17.040 1.00 0.00 H new ATOM 0 HA SER A 108 34.450 0.389 -18.556 1.00 0.00 H new ATOM 0 HB2 SER A 108 36.067 -0.266 -16.892 1.00 0.00 H new ATOM 0 HB3 SER A 108 36.391 1.413 -17.275 1.00 0.00 H new ATOM 0 HG SER A 108 36.363 1.024 -14.983 1.00 0.00 H new ATOM 1605 N LEU A 109 33.294 -1.283 -16.862 1.00 0.00 N ATOM 1606 CA LEU A 109 32.348 -2.133 -16.127 1.00 0.00 C ATOM 1607 C LEU A 109 32.501 -1.974 -14.614 1.00 0.00 C ATOM 1608 O LEU A 109 31.516 -1.917 -13.890 1.00 0.00 O ATOM 1609 CB LEU A 109 32.531 -3.599 -16.549 1.00 0.00 C ATOM 1610 CG LEU A 109 32.432 -3.859 -18.062 1.00 0.00 C ATOM 1611 CD1 LEU A 109 32.516 -5.363 -18.289 1.00 0.00 C ATOM 1612 CD2 LEU A 109 31.151 -3.307 -18.689 1.00 0.00 C ATOM 0 H LEU A 109 33.975 -1.803 -17.416 1.00 0.00 H new ATOM 0 HA LEU A 109 31.336 -1.815 -16.378 1.00 0.00 H new ATOM 0 HB2 LEU A 109 33.505 -3.943 -16.200 1.00 0.00 H new ATOM 0 HB3 LEU A 109 31.779 -4.204 -16.042 1.00 0.00 H new ATOM 0 HG LEU A 109 33.255 -3.335 -18.548 1.00 0.00 H new ATOM 0 HD11 LEU A 109 32.448 -5.574 -19.356 1.00 0.00 H new ATOM 0 HD12 LEU A 109 33.465 -5.736 -17.905 1.00 0.00 H new ATOM 0 HD13 LEU A 109 31.695 -5.856 -17.769 1.00 0.00 H new ATOM 0 HD21 LEU A 109 31.146 -3.525 -19.757 1.00 0.00 H new ATOM 0 HD22 LEU A 109 30.285 -3.774 -18.219 1.00 0.00 H new ATOM 0 HD23 LEU A 109 31.108 -2.228 -18.538 1.00 0.00 H new ATOM 1624 N GLU A 110 33.729 -1.799 -14.134 1.00 0.00 N ATOM 1625 CA GLU A 110 34.011 -1.474 -12.727 1.00 0.00 C ATOM 1626 C GLU A 110 33.342 -0.166 -12.279 1.00 0.00 C ATOM 1627 O GLU A 110 32.779 -0.109 -11.183 1.00 0.00 O ATOM 1628 CB GLU A 110 35.534 -1.441 -12.518 1.00 0.00 C ATOM 1629 CG GLU A 110 35.924 -1.253 -11.047 1.00 0.00 C ATOM 1630 CD GLU A 110 37.451 -1.360 -10.863 1.00 0.00 C ATOM 1631 OE1 GLU A 110 38.158 -0.325 -10.953 1.00 0.00 O ATOM 1632 OE2 GLU A 110 37.961 -2.480 -10.612 1.00 0.00 O ATOM 0 H GLU A 110 34.567 -1.878 -14.710 1.00 0.00 H new ATOM 0 HA GLU A 110 33.578 -2.251 -12.097 1.00 0.00 H new ATOM 0 HB2 GLU A 110 35.968 -2.369 -12.889 1.00 0.00 H new ATOM 0 HB3 GLU A 110 35.961 -0.631 -13.109 1.00 0.00 H new ATOM 0 HG2 GLU A 110 35.579 -0.280 -10.697 1.00 0.00 H new ATOM 0 HG3 GLU A 110 35.427 -2.006 -10.436 1.00 0.00 H new ATOM 1639 N VAL A 111 33.301 0.860 -13.134 1.00 0.00 N ATOM 1640 CA VAL A 111 32.567 2.104 -12.839 1.00 0.00 C ATOM 1641 C VAL A 111 31.051 1.891 -12.879 1.00 0.00 C ATOM 1642 O VAL A 111 30.352 2.384 -11.992 1.00 0.00 O ATOM 1643 CB VAL A 111 33.026 3.236 -13.775 1.00 0.00 C ATOM 1644 CG1 VAL A 111 32.145 4.481 -13.662 1.00 0.00 C ATOM 1645 CG2 VAL A 111 34.456 3.661 -13.430 1.00 0.00 C ATOM 0 H VAL A 111 33.768 0.858 -14.041 1.00 0.00 H new ATOM 0 HA VAL A 111 32.804 2.406 -11.819 1.00 0.00 H new ATOM 0 HB VAL A 111 32.959 2.839 -14.788 1.00 0.00 H new ATOM 0 HG11 VAL A 111 32.512 5.249 -14.343 1.00 0.00 H new ATOM 0 HG12 VAL A 111 31.118 4.225 -13.923 1.00 0.00 H new ATOM 0 HG13 VAL A 111 32.176 4.857 -12.640 1.00 0.00 H new ATOM 0 HG21 VAL A 111 34.769 4.462 -14.099 1.00 0.00 H new ATOM 0 HG22 VAL A 111 34.492 4.014 -12.399 1.00 0.00 H new ATOM 0 HG23 VAL A 111 35.127 2.809 -13.545 1.00 0.00 H new ATOM 1655 N PHE A 112 30.524 1.094 -13.820 1.00 0.00 N ATOM 1656 CA PHE A 112 29.101 0.715 -13.793 1.00 0.00 C ATOM 1657 C PHE A 112 28.735 -0.027 -12.503 1.00 0.00 C ATOM 1658 O PHE A 112 27.755 0.330 -11.857 1.00 0.00 O ATOM 1659 CB PHE A 112 28.739 -0.150 -15.005 1.00 0.00 C ATOM 1660 CG PHE A 112 28.269 0.591 -16.238 1.00 0.00 C ATOM 1661 CD1 PHE A 112 26.915 0.955 -16.361 1.00 0.00 C ATOM 1662 CD2 PHE A 112 29.169 0.897 -17.270 1.00 0.00 C ATOM 1663 CE1 PHE A 112 26.467 1.634 -17.506 1.00 0.00 C ATOM 1664 CE2 PHE A 112 28.726 1.590 -18.409 1.00 0.00 C ATOM 1665 CZ PHE A 112 27.380 1.972 -18.519 1.00 0.00 C ATOM 0 H PHE A 112 31.052 0.703 -14.600 1.00 0.00 H new ATOM 0 HA PHE A 112 28.527 1.641 -13.831 1.00 0.00 H new ATOM 0 HB2 PHE A 112 29.612 -0.745 -15.275 1.00 0.00 H new ATOM 0 HB3 PHE A 112 27.957 -0.848 -14.706 1.00 0.00 H new ATOM 0 HD1 PHE A 112 26.218 0.711 -15.573 1.00 0.00 H new ATOM 0 HD2 PHE A 112 30.204 0.599 -17.189 1.00 0.00 H new ATOM 0 HE1 PHE A 112 25.424 1.895 -17.607 1.00 0.00 H new ATOM 0 HE2 PHE A 112 29.421 1.829 -19.200 1.00 0.00 H new ATOM 0 HZ PHE A 112 27.046 2.526 -19.383 1.00 0.00 H new ATOM 1675 N ARG A 113 29.546 -0.997 -12.076 1.00 0.00 N ATOM 1676 CA ARG A 113 29.370 -1.749 -10.815 1.00 0.00 C ATOM 1677 C ARG A 113 29.446 -0.837 -9.587 1.00 0.00 C ATOM 1678 O ARG A 113 28.626 -0.959 -8.679 1.00 0.00 O ATOM 1679 CB ARG A 113 30.430 -2.862 -10.736 1.00 0.00 C ATOM 1680 CG ARG A 113 30.186 -3.973 -11.770 1.00 0.00 C ATOM 1681 CD ARG A 113 31.392 -4.912 -11.847 1.00 0.00 C ATOM 1682 NE ARG A 113 31.260 -5.891 -12.941 1.00 0.00 N ATOM 1683 CZ ARG A 113 32.228 -6.401 -13.685 1.00 0.00 C ATOM 1684 NH1 ARG A 113 33.481 -6.060 -13.563 1.00 0.00 N ATOM 1685 NH2 ARG A 113 31.927 -7.289 -14.578 1.00 0.00 N ATOM 0 H ARG A 113 30.366 -1.295 -12.605 1.00 0.00 H new ATOM 0 HA ARG A 113 28.374 -2.191 -10.815 1.00 0.00 H new ATOM 0 HB2 ARG A 113 31.419 -2.431 -10.895 1.00 0.00 H new ATOM 0 HB3 ARG A 113 30.427 -3.293 -9.735 1.00 0.00 H new ATOM 0 HG2 ARG A 113 29.294 -4.539 -11.500 1.00 0.00 H new ATOM 0 HG3 ARG A 113 29.999 -3.531 -12.749 1.00 0.00 H new ATOM 0 HD2 ARG A 113 32.299 -4.326 -11.993 1.00 0.00 H new ATOM 0 HD3 ARG A 113 31.502 -5.440 -10.900 1.00 0.00 H new ATOM 0 HE ARG A 113 30.314 -6.212 -13.148 1.00 0.00 H new ATOM 0 HH11 ARG A 113 33.756 -5.367 -12.866 1.00 0.00 H new ATOM 0 HH12 ARG A 113 34.186 -6.486 -14.164 1.00 0.00 H new ATOM 0 HH21 ARG A 113 30.958 -7.583 -14.698 1.00 0.00 H new ATOM 0 HH22 ARG A 113 32.659 -7.694 -15.161 1.00 0.00 H new ATOM 1699 N THR A 114 30.360 0.135 -9.604 1.00 0.00 N ATOM 1700 CA THR A 114 30.533 1.137 -8.533 1.00 0.00 C ATOM 1701 C THR A 114 29.291 2.021 -8.374 1.00 0.00 C ATOM 1702 O THR A 114 28.893 2.332 -7.250 1.00 0.00 O ATOM 1703 CB THR A 114 31.786 1.993 -8.799 1.00 0.00 C ATOM 1704 OG1 THR A 114 32.938 1.180 -8.764 1.00 0.00 O ATOM 1705 CG2 THR A 114 31.993 3.081 -7.749 1.00 0.00 C ATOM 0 H THR A 114 31.017 0.256 -10.375 1.00 0.00 H new ATOM 0 HA THR A 114 30.668 0.600 -7.594 1.00 0.00 H new ATOM 0 HB THR A 114 31.633 2.455 -9.774 1.00 0.00 H new ATOM 0 HG1 THR A 114 32.969 0.622 -9.569 1.00 0.00 H new ATOM 0 HG21 THR A 114 32.890 3.652 -7.988 1.00 0.00 H new ATOM 0 HG22 THR A 114 31.131 3.747 -7.741 1.00 0.00 H new ATOM 0 HG23 THR A 114 32.106 2.622 -6.767 1.00 0.00 H new ATOM 1713 N VAL A 115 28.623 2.381 -9.473 1.00 0.00 N ATOM 1714 CA VAL A 115 27.309 3.058 -9.440 1.00 0.00 C ATOM 1715 C VAL A 115 26.194 2.091 -9.026 1.00 0.00 C ATOM 1716 O VAL A 115 25.447 2.400 -8.100 1.00 0.00 O ATOM 1717 CB VAL A 115 27.055 3.766 -10.790 1.00 0.00 C ATOM 1718 CG1 VAL A 115 25.608 4.217 -11.021 1.00 0.00 C ATOM 1719 CG2 VAL A 115 27.955 5.010 -10.859 1.00 0.00 C ATOM 0 H VAL A 115 28.973 2.214 -10.417 1.00 0.00 H new ATOM 0 HA VAL A 115 27.313 3.832 -8.672 1.00 0.00 H new ATOM 0 HB VAL A 115 27.276 3.030 -11.563 1.00 0.00 H new ATOM 0 HG11 VAL A 115 25.529 4.703 -11.994 1.00 0.00 H new ATOM 0 HG12 VAL A 115 24.948 3.350 -10.994 1.00 0.00 H new ATOM 0 HG13 VAL A 115 25.317 4.919 -10.240 1.00 0.00 H new ATOM 0 HG21 VAL A 115 27.791 5.525 -11.805 1.00 0.00 H new ATOM 0 HG22 VAL A 115 27.713 5.680 -10.034 1.00 0.00 H new ATOM 0 HG23 VAL A 115 29.000 4.708 -10.786 1.00 0.00 H new ATOM 1729 N ARG A 116 26.115 0.903 -9.640 1.00 0.00 N ATOM 1730 CA ARG A 116 25.086 -0.133 -9.399 1.00 0.00 C ATOM 1731 C ARG A 116 24.922 -0.464 -7.913 1.00 0.00 C ATOM 1732 O ARG A 116 23.803 -0.438 -7.412 1.00 0.00 O ATOM 1733 CB ARG A 116 25.433 -1.371 -10.269 1.00 0.00 C ATOM 1734 CG ARG A 116 24.371 -2.478 -10.170 1.00 0.00 C ATOM 1735 CD ARG A 116 24.561 -3.685 -11.109 1.00 0.00 C ATOM 1736 NE ARG A 116 25.845 -4.425 -10.980 1.00 0.00 N ATOM 1737 CZ ARG A 116 26.301 -5.170 -9.985 1.00 0.00 C ATOM 1738 NH1 ARG A 116 25.786 -5.164 -8.789 1.00 0.00 N ATOM 1739 NH2 ARG A 116 27.303 -5.966 -10.192 1.00 0.00 N ATOM 0 H ARG A 116 26.792 0.620 -10.349 1.00 0.00 H new ATOM 0 HA ARG A 116 24.108 0.245 -9.697 1.00 0.00 H new ATOM 0 HB2 ARG A 116 25.535 -1.062 -11.309 1.00 0.00 H new ATOM 0 HB3 ARG A 116 26.399 -1.770 -9.958 1.00 0.00 H new ATOM 0 HG2 ARG A 116 24.350 -2.842 -9.143 1.00 0.00 H new ATOM 0 HG3 ARG A 116 23.395 -2.036 -10.372 1.00 0.00 H new ATOM 0 HD2 ARG A 116 23.744 -4.385 -10.936 1.00 0.00 H new ATOM 0 HD3 ARG A 116 24.469 -3.336 -12.138 1.00 0.00 H new ATOM 0 HE ARG A 116 26.471 -4.346 -11.782 1.00 0.00 H new ATOM 0 HH11 ARG A 116 24.989 -4.563 -8.580 1.00 0.00 H new ATOM 0 HH12 ARG A 116 26.180 -5.760 -8.061 1.00 0.00 H new ATOM 0 HH21 ARG A 116 27.733 -6.015 -11.115 1.00 0.00 H new ATOM 0 HH22 ARG A 116 27.661 -6.544 -9.431 1.00 0.00 H new ATOM 1753 N GLY A 117 26.023 -0.709 -7.202 1.00 0.00 N ATOM 1754 CA GLY A 117 26.007 -1.042 -5.767 1.00 0.00 C ATOM 1755 C GLY A 117 25.460 0.079 -4.875 1.00 0.00 C ATOM 1756 O GLY A 117 24.717 -0.188 -3.934 1.00 0.00 O ATOM 0 H GLY A 117 26.960 -0.683 -7.603 1.00 0.00 H new ATOM 0 HA2 GLY A 117 25.404 -1.938 -5.619 1.00 0.00 H new ATOM 0 HA3 GLY A 117 27.021 -1.284 -5.449 1.00 0.00 H new ATOM 1760 N GLN A 118 25.742 1.344 -5.210 1.00 0.00 N ATOM 1761 CA GLN A 118 25.239 2.496 -4.446 1.00 0.00 C ATOM 1762 C GLN A 118 23.762 2.785 -4.756 1.00 0.00 C ATOM 1763 O GLN A 118 22.970 2.968 -3.834 1.00 0.00 O ATOM 1764 CB GLN A 118 26.142 3.720 -4.682 1.00 0.00 C ATOM 1765 CG GLN A 118 27.543 3.506 -4.084 1.00 0.00 C ATOM 1766 CD GLN A 118 28.484 4.664 -4.396 1.00 0.00 C ATOM 1767 OE1 GLN A 118 28.602 5.624 -3.647 1.00 0.00 O ATOM 1768 NE2 GLN A 118 29.184 4.617 -5.509 1.00 0.00 N ATOM 0 H GLN A 118 26.320 1.598 -6.011 1.00 0.00 H new ATOM 0 HA GLN A 118 25.279 2.253 -3.384 1.00 0.00 H new ATOM 0 HB2 GLN A 118 26.226 3.911 -5.752 1.00 0.00 H new ATOM 0 HB3 GLN A 118 25.685 4.603 -4.236 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.461 3.387 -3.004 1.00 0.00 H new ATOM 0 HG3 GLN A 118 27.966 2.581 -4.475 1.00 0.00 H new ATOM 0 HE21 GLN A 118 29.090 3.819 -6.137 1.00 0.00 H new ATOM 0 HE22 GLN A 118 29.821 5.378 -5.743 1.00 0.00 H new ATOM 1777 N VAL A 119 23.347 2.726 -6.028 1.00 0.00 N ATOM 1778 CA VAL A 119 21.914 2.801 -6.403 1.00 0.00 C ATOM 1779 C VAL A 119 21.094 1.699 -5.708 1.00 0.00 C ATOM 1780 O VAL A 119 20.026 1.987 -5.166 1.00 0.00 O ATOM 1781 CB VAL A 119 21.724 2.759 -7.934 1.00 0.00 C ATOM 1782 CG1 VAL A 119 20.251 2.889 -8.311 1.00 0.00 C ATOM 1783 CG2 VAL A 119 22.440 3.919 -8.632 1.00 0.00 C ATOM 0 H VAL A 119 23.979 2.626 -6.822 1.00 0.00 H new ATOM 0 HA VAL A 119 21.538 3.763 -6.054 1.00 0.00 H new ATOM 0 HB VAL A 119 22.136 1.802 -8.252 1.00 0.00 H new ATOM 0 HG11 VAL A 119 20.149 2.856 -9.396 1.00 0.00 H new ATOM 0 HG12 VAL A 119 19.688 2.067 -7.868 1.00 0.00 H new ATOM 0 HG13 VAL A 119 19.862 3.837 -7.939 1.00 0.00 H new ATOM 0 HG21 VAL A 119 22.280 3.851 -9.708 1.00 0.00 H new ATOM 0 HG22 VAL A 119 22.042 4.865 -8.265 1.00 0.00 H new ATOM 0 HG23 VAL A 119 23.508 3.868 -8.420 1.00 0.00 H new ATOM 1793 N LYS A 120 21.616 0.464 -5.636 1.00 0.00 N ATOM 1794 CA LYS A 120 21.002 -0.647 -4.881 1.00 0.00 C ATOM 1795 C LYS A 120 20.824 -0.294 -3.401 1.00 0.00 C ATOM 1796 O LYS A 120 19.704 -0.334 -2.902 1.00 0.00 O ATOM 1797 CB LYS A 120 21.858 -1.919 -5.035 1.00 0.00 C ATOM 1798 CG LYS A 120 21.206 -3.129 -4.351 1.00 0.00 C ATOM 1799 CD LYS A 120 22.100 -4.374 -4.429 1.00 0.00 C ATOM 1800 CE LYS A 120 21.323 -5.585 -3.893 1.00 0.00 C ATOM 1801 NZ LYS A 120 22.211 -6.763 -3.656 1.00 0.00 N ATOM 0 H LYS A 120 22.484 0.203 -6.104 1.00 0.00 H new ATOM 0 HA LYS A 120 20.010 -0.829 -5.293 1.00 0.00 H new ATOM 0 HB2 LYS A 120 22.003 -2.134 -6.094 1.00 0.00 H new ATOM 0 HB3 LYS A 120 22.845 -1.747 -4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 120 21.003 -2.891 -3.307 1.00 0.00 H new ATOM 0 HG3 LYS A 120 20.246 -3.340 -4.822 1.00 0.00 H new ATOM 0 HD2 LYS A 120 22.409 -4.551 -5.459 1.00 0.00 H new ATOM 0 HD3 LYS A 120 23.008 -4.222 -3.846 1.00 0.00 H new ATOM 0 HE2 LYS A 120 20.826 -5.313 -2.962 1.00 0.00 H new ATOM 0 HE3 LYS A 120 20.542 -5.857 -4.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 21.645 -7.557 -3.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 22.666 -7.040 -4.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 22.941 -6.513 -2.959 1.00 0.00 H new ATOM 1815 N GLU A 121 21.901 0.070 -2.702 1.00 0.00 N ATOM 1816 CA GLU A 121 21.841 0.308 -1.251 1.00 0.00 C ATOM 1817 C GLU A 121 20.929 1.477 -0.888 1.00 0.00 C ATOM 1818 O GLU A 121 20.182 1.371 0.081 1.00 0.00 O ATOM 1819 CB GLU A 121 23.253 0.403 -0.631 1.00 0.00 C ATOM 1820 CG GLU A 121 23.877 1.802 -0.630 1.00 0.00 C ATOM 1821 CD GLU A 121 25.235 1.869 0.100 1.00 0.00 C ATOM 1822 OE1 GLU A 121 26.099 0.979 -0.083 1.00 0.00 O ATOM 1823 OE2 GLU A 121 25.451 2.856 0.849 1.00 0.00 O ATOM 0 H GLU A 121 22.825 0.207 -3.112 1.00 0.00 H new ATOM 0 HA GLU A 121 21.373 -0.565 -0.796 1.00 0.00 H new ATOM 0 HB2 GLU A 121 23.205 0.044 0.397 1.00 0.00 H new ATOM 0 HB3 GLU A 121 23.916 -0.272 -1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 121 24.010 2.133 -1.660 1.00 0.00 H new ATOM 0 HG3 GLU A 121 23.185 2.500 -0.158 1.00 0.00 H new ATOM 1830 N ARG A 122 20.893 2.543 -1.697 1.00 0.00 N ATOM 1831 CA ARG A 122 19.966 3.659 -1.465 1.00 0.00 C ATOM 1832 C ARG A 122 18.512 3.192 -1.588 1.00 0.00 C ATOM 1833 O ARG A 122 17.732 3.446 -0.674 1.00 0.00 O ATOM 1834 CB ARG A 122 20.274 4.819 -2.422 1.00 0.00 C ATOM 1835 CG ARG A 122 21.657 5.487 -2.299 1.00 0.00 C ATOM 1836 CD ARG A 122 21.803 6.520 -1.171 1.00 0.00 C ATOM 1837 NE ARG A 122 21.887 5.906 0.174 1.00 0.00 N ATOM 1838 CZ ARG A 122 22.912 5.252 0.699 1.00 0.00 C ATOM 1839 NH1 ARG A 122 24.038 5.095 0.070 1.00 0.00 N ATOM 1840 NH2 ARG A 122 22.828 4.711 1.878 1.00 0.00 N ATOM 0 H ARG A 122 21.492 2.657 -2.515 1.00 0.00 H new ATOM 0 HA ARG A 122 20.105 4.024 -0.447 1.00 0.00 H new ATOM 0 HB2 ARG A 122 20.166 4.452 -3.443 1.00 0.00 H new ATOM 0 HB3 ARG A 122 19.514 5.587 -2.277 1.00 0.00 H new ATOM 0 HG2 ARG A 122 22.404 4.707 -2.151 1.00 0.00 H new ATOM 0 HG3 ARG A 122 21.889 5.975 -3.245 1.00 0.00 H new ATOM 0 HD2 ARG A 122 22.698 7.117 -1.347 1.00 0.00 H new ATOM 0 HD3 ARG A 122 20.953 7.202 -1.200 1.00 0.00 H new ATOM 0 HE ARG A 122 21.060 5.997 0.764 1.00 0.00 H new ATOM 0 HH11 ARG A 122 24.158 5.483 -0.866 1.00 0.00 H new ATOM 0 HH12 ARG A 122 24.802 4.584 0.512 1.00 0.00 H new ATOM 0 HH21 ARG A 122 21.963 4.787 2.413 1.00 0.00 H new ATOM 0 HH22 ARG A 122 23.627 4.211 2.268 1.00 0.00 H new ATOM 1854 N VAL A 123 18.160 2.412 -2.612 1.00 0.00 N ATOM 1855 CA VAL A 123 16.832 1.781 -2.713 1.00 0.00 C ATOM 1856 C VAL A 123 16.522 0.839 -1.554 1.00 0.00 C ATOM 1857 O VAL A 123 15.450 0.974 -0.975 1.00 0.00 O ATOM 1858 CB VAL A 123 16.666 1.074 -4.073 1.00 0.00 C ATOM 1859 CG1 VAL A 123 15.506 0.079 -4.099 1.00 0.00 C ATOM 1860 CG2 VAL A 123 16.454 2.106 -5.180 1.00 0.00 C ATOM 0 H VAL A 123 18.780 2.198 -3.393 1.00 0.00 H new ATOM 0 HA VAL A 123 16.099 2.585 -2.646 1.00 0.00 H new ATOM 0 HB VAL A 123 17.585 0.512 -4.237 1.00 0.00 H new ATOM 0 HG11 VAL A 123 15.445 -0.383 -5.084 1.00 0.00 H new ATOM 0 HG12 VAL A 123 15.671 -0.692 -3.346 1.00 0.00 H new ATOM 0 HG13 VAL A 123 14.574 0.601 -3.885 1.00 0.00 H new ATOM 0 HG21 VAL A 123 16.338 1.595 -6.136 1.00 0.00 H new ATOM 0 HG22 VAL A 123 15.557 2.688 -4.968 1.00 0.00 H new ATOM 0 HG23 VAL A 123 17.316 2.772 -5.227 1.00 0.00 H new ATOM 1870 N GLU A 124 17.409 -0.079 -1.167 1.00 0.00 N ATOM 1871 CA GLU A 124 17.129 -0.989 -0.039 1.00 0.00 C ATOM 1872 C GLU A 124 16.904 -0.233 1.269 1.00 0.00 C ATOM 1873 O GLU A 124 16.031 -0.602 2.056 1.00 0.00 O ATOM 1874 CB GLU A 124 18.236 -2.030 0.149 1.00 0.00 C ATOM 1875 CG GLU A 124 18.374 -2.992 -1.024 1.00 0.00 C ATOM 1876 CD GLU A 124 19.378 -4.101 -0.648 1.00 0.00 C ATOM 1877 OE1 GLU A 124 20.606 -3.879 -0.763 1.00 0.00 O ATOM 1878 OE2 GLU A 124 18.945 -5.195 -0.211 1.00 0.00 O ATOM 0 H GLU A 124 18.319 -0.217 -1.607 1.00 0.00 H new ATOM 0 HA GLU A 124 16.207 -1.509 -0.298 1.00 0.00 H new ATOM 0 HB2 GLU A 124 19.185 -1.516 0.300 1.00 0.00 H new ATOM 0 HB3 GLU A 124 18.036 -2.602 1.055 1.00 0.00 H new ATOM 0 HG2 GLU A 124 17.406 -3.428 -1.269 1.00 0.00 H new ATOM 0 HG3 GLU A 124 18.717 -2.458 -1.910 1.00 0.00 H new ATOM 1885 N ASN A 125 17.620 0.874 1.462 1.00 0.00 N ATOM 1886 CA ASN A 125 17.439 1.699 2.651 1.00 0.00 C ATOM 1887 C ASN A 125 16.128 2.508 2.626 1.00 0.00 C ATOM 1888 O ASN A 125 15.569 2.813 3.677 1.00 0.00 O ATOM 1889 CB ASN A 125 18.713 2.524 2.913 1.00 0.00 C ATOM 1890 CG ASN A 125 18.518 4.029 2.927 1.00 0.00 C ATOM 1891 OD1 ASN A 125 18.462 4.674 3.962 1.00 0.00 O ATOM 1892 ND2 ASN A 125 18.415 4.627 1.765 1.00 0.00 N ATOM 0 H ASN A 125 18.327 1.217 0.812 1.00 0.00 H new ATOM 0 HA ASN A 125 17.308 1.051 3.517 1.00 0.00 H new ATOM 0 HB2 ASN A 125 19.133 2.219 3.872 1.00 0.00 H new ATOM 0 HB3 ASN A 125 19.450 2.276 2.149 1.00 0.00 H new ATOM 0 HD21 ASN A 125 18.287 5.638 1.721 1.00 0.00 H new ATOM 0 HD22 ASN A 125 18.463 4.081 0.905 1.00 0.00 H new ATOM 1899 N LEU A 126 15.619 2.816 1.428 1.00 0.00 N ATOM 1900 CA LEU A 126 14.354 3.519 1.220 1.00 0.00 C ATOM 1901 C LEU A 126 13.148 2.589 1.360 1.00 0.00 C ATOM 1902 O LEU A 126 12.231 2.896 2.117 1.00 0.00 O ATOM 1903 CB LEU A 126 14.420 4.220 -0.150 1.00 0.00 C ATOM 1904 CG LEU A 126 13.112 4.896 -0.584 1.00 0.00 C ATOM 1905 CD1 LEU A 126 12.668 5.991 0.385 1.00 0.00 C ATOM 1906 CD2 LEU A 126 13.315 5.509 -1.964 1.00 0.00 C ATOM 0 H LEU A 126 16.090 2.576 0.556 1.00 0.00 H new ATOM 0 HA LEU A 126 14.212 4.270 1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 126 15.210 4.971 -0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 126 14.703 3.487 -0.905 1.00 0.00 H new ATOM 0 HG LEU A 126 12.332 4.135 -0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 126 11.738 6.436 0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 126 12.510 5.560 1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 126 13.439 6.760 0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 126 12.393 5.993 -2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 126 14.116 6.247 -1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 126 13.581 4.726 -2.674 1.00 0.00 H new ATOM 1918 N ILE A 127 13.136 1.432 0.692 1.00 0.00 N ATOM 1919 CA ILE A 127 11.969 0.531 0.767 1.00 0.00 C ATOM 1920 C ILE A 127 11.732 0.006 2.180 1.00 0.00 C ATOM 1921 O ILE A 127 10.586 -0.231 2.543 1.00 0.00 O ATOM 1922 CB ILE A 127 12.040 -0.626 -0.249 1.00 0.00 C ATOM 1923 CG1 ILE A 127 13.250 -1.552 -0.005 1.00 0.00 C ATOM 1924 CG2 ILE A 127 11.997 -0.048 -1.676 1.00 0.00 C ATOM 1925 CD1 ILE A 127 13.527 -2.567 -1.116 1.00 0.00 C ATOM 0 H ILE A 127 13.899 1.097 0.104 1.00 0.00 H new ATOM 0 HA ILE A 127 11.109 1.142 0.494 1.00 0.00 H new ATOM 0 HB ILE A 127 11.171 -1.270 -0.115 1.00 0.00 H new ATOM 0 HG12 ILE A 127 14.138 -0.935 0.131 1.00 0.00 H new ATOM 0 HG13 ILE A 127 13.091 -2.093 0.928 1.00 0.00 H new ATOM 0 HG21 ILE A 127 12.047 -0.862 -2.400 1.00 0.00 H new ATOM 0 HG22 ILE A 127 11.069 0.506 -1.816 1.00 0.00 H new ATOM 0 HG23 ILE A 127 12.845 0.621 -1.823 1.00 0.00 H new ATOM 0 HD11 ILE A 127 14.396 -3.169 -0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 127 12.660 -3.216 -1.241 1.00 0.00 H new ATOM 0 HD13 ILE A 127 13.723 -2.040 -2.050 1.00 0.00 H new ATOM 1937 N ALA A 128 12.779 -0.089 3.003 1.00 0.00 N ATOM 1938 CA ALA A 128 12.641 -0.499 4.393 1.00 0.00 C ATOM 1939 C ALA A 128 11.928 0.548 5.287 1.00 0.00 C ATOM 1940 O ALA A 128 11.451 0.186 6.366 1.00 0.00 O ATOM 1941 CB ALA A 128 14.034 -0.858 4.922 1.00 0.00 C ATOM 0 H ALA A 128 13.738 0.116 2.722 1.00 0.00 H new ATOM 0 HA ALA A 128 11.986 -1.369 4.433 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.958 -1.169 5.964 1.00 0.00 H new ATOM 0 HB2 ALA A 128 14.449 -1.673 4.329 1.00 0.00 H new ATOM 0 HB3 ALA A 128 14.686 0.012 4.850 1.00 0.00 H new ATOM 1947 N LYS A 129 11.833 1.826 4.859 1.00 0.00 N ATOM 1948 CA LYS A 129 11.101 2.890 5.586 1.00 0.00 C ATOM 1949 C LYS A 129 9.730 3.257 5.004 1.00 0.00 C ATOM 1950 O LYS A 129 8.828 3.574 5.779 1.00 0.00 O ATOM 1951 CB LYS A 129 11.996 4.122 5.813 1.00 0.00 C ATOM 1952 CG LYS A 129 12.542 4.805 4.549 1.00 0.00 C ATOM 1953 CD LYS A 129 13.293 6.115 4.841 1.00 0.00 C ATOM 1954 CE LYS A 129 14.596 5.874 5.625 1.00 0.00 C ATOM 1955 NZ LYS A 129 15.326 7.149 5.889 1.00 0.00 N ATOM 0 H LYS A 129 12.264 2.152 3.994 1.00 0.00 H new ATOM 0 HA LYS A 129 10.857 2.458 6.557 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.428 4.858 6.382 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.841 3.822 6.433 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.212 4.117 4.034 1.00 0.00 H new ATOM 0 HG3 LYS A 129 11.715 5.012 3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 129 13.524 6.617 3.901 1.00 0.00 H new ATOM 0 HD3 LYS A 129 12.647 6.784 5.410 1.00 0.00 H new ATOM 0 HE2 LYS A 129 14.366 5.384 6.571 1.00 0.00 H new ATOM 0 HE3 LYS A 129 15.239 5.196 5.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 16.198 6.947 6.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 15.567 7.604 4.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 14.722 7.786 6.447 1.00 0.00 H new ATOM 1969 N ILE A 130 9.555 3.203 3.675 1.00 0.00 N ATOM 1970 CA ILE A 130 8.264 3.524 3.008 1.00 0.00 C ATOM 1971 C ILE A 130 7.394 2.311 2.606 1.00 0.00 C ATOM 1972 O ILE A 130 6.349 2.501 1.981 1.00 0.00 O ATOM 1973 CB ILE A 130 8.385 4.607 1.903 1.00 0.00 C ATOM 1974 CG1 ILE A 130 9.430 4.334 0.811 1.00 0.00 C ATOM 1975 CG2 ILE A 130 8.657 5.982 2.532 1.00 0.00 C ATOM 1976 CD1 ILE A 130 9.134 3.104 -0.042 1.00 0.00 C ATOM 0 H ILE A 130 10.296 2.938 3.026 1.00 0.00 H new ATOM 0 HA ILE A 130 7.681 3.985 3.806 1.00 0.00 H new ATOM 0 HB ILE A 130 7.421 4.583 1.395 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.496 5.206 0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 130 10.406 4.211 1.280 1.00 0.00 H new ATOM 0 HG21 ILE A 130 8.740 6.732 1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 130 7.837 6.245 3.200 1.00 0.00 H new ATOM 0 HG23 ILE A 130 9.588 5.946 3.098 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.919 2.982 -0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.098 2.220 0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 130 8.174 3.231 -0.542 1.00 0.00 H new ATOM 1988 N SER A 131 7.767 1.078 2.964 1.00 0.00 N ATOM 1989 CA SER A 131 6.900 -0.112 2.816 1.00 0.00 C ATOM 1990 C SER A 131 5.534 0.029 3.514 1.00 0.00 C ATOM 1991 O SER A 131 5.497 0.293 4.740 1.00 0.00 O ATOM 1992 CB SER A 131 7.634 -1.364 3.304 1.00 0.00 C ATOM 1993 OG SER A 131 8.070 -1.206 4.647 1.00 0.00 O ATOM 1994 OXT SER A 131 4.496 -0.149 2.834 1.00 0.00 O ATOM 0 H SER A 131 8.681 0.869 3.367 1.00 0.00 H new ATOM 0 HA SER A 131 6.682 -0.207 1.752 1.00 0.00 H new ATOM 0 HB2 SER A 131 6.974 -2.229 3.231 1.00 0.00 H new ATOM 0 HB3 SER A 131 8.491 -1.562 2.660 1.00 0.00 H new ATOM 0 HG SER A 131 7.397 -0.704 5.153 1.00 0.00 H new