USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 846 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 106 TYR OH : rot -25:sc= 0.00212 USER MOD Set 1.2: A 108 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.7!) USER MOD Set 2.1: A 48 TYR OH : rot 83:sc= 0.00255 USER MOD Set 2.2: A 66 GLN : amide:sc= 0.00327 X(o=0.0058,f=-0.025) USER MOD Set 3.1: A 23 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 52 LYS NZ :NH3+ -164:sc= -0.154 (180deg=-0.477) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc=-0.00427 (180deg=-0.29) USER MOD Single : A 4 MET CE :methyl -114:sc= -0.321 (180deg=-3.63!) USER MOD Single : A 6 LYS NZ :NH3+ 176:sc= -0.199 (180deg=-0.253) USER MOD Single : A 11 LYS NZ :NH3+ -119:sc= 0.348 (180deg=-0.354) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot -11:sc= 0.565 USER MOD Single : A 20 HIS : no HD1:sc= -0.697 K(o=-0.7,f=-1.7!) USER MOD Single : A 24 MET CE :methyl 156:sc= -0.145 (180deg=-0.718) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 179:sc= 0.402 USER MOD Single : A 32 MET CE :methyl 167:sc= -0.0198 (180deg=-0.266) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0543 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.237 K(o=-0.24,f=-4.2!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -121:sc= -2.75! (180deg=-6.24!) USER MOD Single : A 64 SER OG : rot -120:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -77:sc= 0.0931 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.414 K(o=-0.41,f=-1.3) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 152:sc= -1.4! (180deg=-2.7!) USER MOD Single : A 95 LYS NZ :NH3+ 165:sc= -0.0324 (180deg=-0.216) USER MOD Single : A 99 LYS NZ :NH3+ -144:sc= -0.813 (180deg=-2.57!) USER MOD Single : A 100 THR OG1 : rot -66:sc= 0.964 USER MOD Single : A 102 LYS NZ :NH3+ 165:sc= -0.0376 (180deg=-0.288) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.491 16.351 -4.340 1.00 0.00 N ATOM 2 CA MET A 1 8.580 15.657 -5.076 1.00 0.00 C ATOM 3 C MET A 1 9.891 15.703 -4.296 1.00 0.00 C ATOM 4 O MET A 1 10.273 16.753 -3.771 1.00 0.00 O ATOM 5 CB MET A 1 8.754 16.326 -6.443 1.00 0.00 C ATOM 6 CG MET A 1 7.533 16.210 -7.342 1.00 0.00 C ATOM 7 SD MET A 1 7.769 17.006 -8.942 1.00 0.00 S ATOM 8 CE MET A 1 6.194 16.669 -9.724 1.00 0.00 C ATOM 0 H1 MET A 1 6.573 16.093 -4.754 1.00 0.00 H new ATOM 0 H2 MET A 1 7.512 16.067 -3.340 1.00 0.00 H new ATOM 0 H3 MET A 1 7.625 17.380 -4.410 1.00 0.00 H new ATOM 0 HA MET A 1 8.311 14.609 -5.204 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.985 17.381 -6.294 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.610 15.880 -6.949 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.299 15.157 -7.496 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.674 16.657 -6.841 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.185 17.100 -10.725 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.044 15.591 -9.791 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.392 17.110 -9.132 1.00 0.00 H new ATOM 20 N GLY A 2 10.571 14.556 -4.225 1.00 0.00 N ATOM 21 CA GLY A 2 11.835 14.472 -3.508 1.00 0.00 C ATOM 22 C GLY A 2 12.097 13.081 -2.954 1.00 0.00 C ATOM 23 O GLY A 2 11.193 12.247 -2.960 1.00 0.00 O ATOM 0 H GLY A 2 10.266 13.682 -4.653 1.00 0.00 H new ATOM 0 HA2 GLY A 2 12.648 14.752 -4.177 1.00 0.00 H new ATOM 0 HA3 GLY A 2 11.833 15.192 -2.689 1.00 0.00 H new ATOM 27 N PRO A 3 13.334 12.790 -2.469 1.00 0.00 N ATOM 28 CA PRO A 3 13.684 11.484 -1.927 1.00 0.00 C ATOM 29 C PRO A 3 13.432 11.368 -0.421 1.00 0.00 C ATOM 30 O PRO A 3 13.855 12.221 0.364 1.00 0.00 O ATOM 31 CB PRO A 3 15.180 11.373 -2.239 1.00 0.00 C ATOM 32 CG PRO A 3 15.673 12.766 -2.484 1.00 0.00 C ATOM 33 CD PRO A 3 14.494 13.695 -2.418 1.00 0.00 C ATOM 0 HA PRO A 3 13.077 10.689 -2.360 1.00 0.00 H new ATOM 0 HB2 PRO A 3 15.716 10.913 -1.408 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.347 10.744 -3.113 1.00 0.00 H new ATOM 0 HG2 PRO A 3 16.418 13.043 -1.738 1.00 0.00 H new ATOM 0 HG3 PRO A 3 16.157 12.833 -3.458 1.00 0.00 H new ATOM 0 HD2 PRO A 3 14.501 14.286 -1.502 1.00 0.00 H new ATOM 0 HD3 PRO A 3 14.491 14.398 -3.251 1.00 0.00 H new ATOM 41 N MET A 4 12.746 10.292 -0.034 1.00 0.00 N ATOM 42 CA MET A 4 12.431 10.028 1.368 1.00 0.00 C ATOM 43 C MET A 4 12.639 8.521 1.661 1.00 0.00 C ATOM 44 O MET A 4 12.879 7.767 0.714 1.00 0.00 O ATOM 45 CB MET A 4 10.987 10.487 1.672 1.00 0.00 C ATOM 46 CG MET A 4 9.899 9.536 1.200 1.00 0.00 C ATOM 47 SD MET A 4 8.263 10.037 1.762 1.00 0.00 S ATOM 48 CE MET A 4 7.353 8.517 1.521 1.00 0.00 C ATOM 0 H MET A 4 12.396 9.584 -0.679 1.00 0.00 H new ATOM 0 HA MET A 4 13.097 10.592 2.021 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.885 10.627 2.748 1.00 0.00 H new ATOM 0 HB3 MET A 4 10.825 11.460 1.207 1.00 0.00 H new ATOM 0 HG2 MET A 4 9.908 9.489 0.111 1.00 0.00 H new ATOM 0 HG3 MET A 4 10.114 8.532 1.564 1.00 0.00 H new ATOM 0 HE1 MET A 4 6.604 8.661 0.742 1.00 0.00 H new ATOM 0 HE2 MET A 4 8.040 7.725 1.222 1.00 0.00 H new ATOM 0 HE3 MET A 4 6.860 8.237 2.452 1.00 0.00 H new ATOM 58 N PRO A 5 12.573 8.047 2.956 1.00 0.00 N ATOM 59 CA PRO A 5 12.774 6.619 3.291 1.00 0.00 C ATOM 60 C PRO A 5 12.002 5.661 2.378 1.00 0.00 C ATOM 61 O PRO A 5 10.852 5.923 2.015 1.00 0.00 O ATOM 62 CB PRO A 5 12.256 6.522 4.723 1.00 0.00 C ATOM 63 CG PRO A 5 12.541 7.858 5.304 1.00 0.00 C ATOM 64 CD PRO A 5 12.318 8.841 4.189 1.00 0.00 C ATOM 0 HA PRO A 5 13.816 6.325 3.167 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.190 6.297 4.747 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.761 5.731 5.277 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.883 8.067 6.148 1.00 0.00 H new ATOM 0 HG3 PRO A 5 13.564 7.913 5.676 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.304 9.240 4.205 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.996 9.691 4.264 1.00 0.00 H new ATOM 72 N LYS A 6 12.666 4.563 2.007 1.00 0.00 N ATOM 73 CA LYS A 6 12.092 3.544 1.121 1.00 0.00 C ATOM 74 C LYS A 6 10.873 2.858 1.737 1.00 0.00 C ATOM 75 O LYS A 6 10.033 2.335 1.003 1.00 0.00 O ATOM 76 CB LYS A 6 13.146 2.485 0.785 1.00 0.00 C ATOM 77 CG LYS A 6 14.395 3.043 0.112 1.00 0.00 C ATOM 78 CD LYS A 6 15.440 1.958 -0.141 1.00 0.00 C ATOM 79 CE LYS A 6 15.059 1.043 -1.300 1.00 0.00 C ATOM 80 NZ LYS A 6 14.998 1.775 -2.594 1.00 0.00 N ATOM 0 H LYS A 6 13.617 4.354 2.312 1.00 0.00 H new ATOM 0 HA LYS A 6 11.768 4.057 0.215 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.438 1.974 1.703 1.00 0.00 H new ATOM 0 HB3 LYS A 6 12.698 1.736 0.132 1.00 0.00 H new ATOM 0 HG2 LYS A 6 14.120 3.509 -0.834 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.827 3.824 0.738 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.402 2.426 -0.352 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.567 1.362 0.763 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.785 0.233 -1.376 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.091 0.585 -1.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.802 1.104 -3.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.241 2.487 -2.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.908 2.247 -2.769 1.00 0.00 H new ATOM 94 N LEU A 7 10.804 2.857 3.086 1.00 0.00 N ATOM 95 CA LEU A 7 9.710 2.230 3.867 1.00 0.00 C ATOM 96 C LEU A 7 9.871 0.705 3.940 1.00 0.00 C ATOM 97 O LEU A 7 9.737 0.118 5.015 1.00 0.00 O ATOM 98 CB LEU A 7 8.306 2.589 3.324 1.00 0.00 C ATOM 99 CG LEU A 7 7.959 4.086 3.302 1.00 0.00 C ATOM 100 CD1 LEU A 7 6.749 4.335 2.415 1.00 0.00 C ATOM 101 CD2 LEU A 7 7.708 4.613 4.709 1.00 0.00 C ATOM 0 H LEU A 7 11.514 3.296 3.672 1.00 0.00 H new ATOM 0 HA LEU A 7 9.789 2.641 4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 7 8.220 2.201 2.309 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.561 2.072 3.928 1.00 0.00 H new ATOM 0 HG LEU A 7 8.812 4.625 2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.515 5.400 2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.969 4.006 1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.895 3.778 2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.465 5.674 4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.876 4.070 5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.603 4.472 5.315 1.00 0.00 H new ATOM 113 N ALA A 8 10.161 0.074 2.797 1.00 0.00 N ATOM 114 CA ALA A 8 10.347 -1.373 2.725 1.00 0.00 C ATOM 115 C ALA A 8 11.446 -1.728 1.726 1.00 0.00 C ATOM 116 O ALA A 8 11.914 -0.866 0.978 1.00 0.00 O ATOM 117 CB ALA A 8 9.042 -2.056 2.344 1.00 0.00 C ATOM 0 H ALA A 8 10.272 0.552 1.903 1.00 0.00 H new ATOM 0 HA ALA A 8 10.652 -1.729 3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.196 -3.134 2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.282 -1.832 3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.711 -1.692 1.371 1.00 0.00 H new ATOM 123 N ASP A 9 11.856 -2.999 1.721 1.00 0.00 N ATOM 124 CA ASP A 9 12.905 -3.470 0.817 1.00 0.00 C ATOM 125 C ASP A 9 12.336 -4.383 -0.269 1.00 0.00 C ATOM 126 O ASP A 9 12.716 -4.278 -1.440 1.00 0.00 O ATOM 127 CB ASP A 9 13.996 -4.209 1.604 1.00 0.00 C ATOM 128 CG ASP A 9 14.762 -3.312 2.569 1.00 0.00 C ATOM 129 OD1 ASP A 9 14.502 -2.089 2.597 1.00 0.00 O ATOM 130 OD2 ASP A 9 15.631 -3.838 3.295 1.00 0.00 O ATOM 0 H ASP A 9 11.476 -3.720 2.334 1.00 0.00 H new ATOM 0 HA ASP A 9 13.342 -2.597 0.332 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.539 -5.025 2.164 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.699 -4.658 0.902 1.00 0.00 H new ATOM 135 N ARG A 10 11.428 -5.282 0.126 1.00 0.00 N ATOM 136 CA ARG A 10 10.807 -6.219 -0.814 1.00 0.00 C ATOM 137 C ARG A 10 9.282 -6.134 -0.762 1.00 0.00 C ATOM 138 O ARG A 10 8.699 -5.726 0.250 1.00 0.00 O ATOM 139 CB ARG A 10 11.244 -7.664 -0.532 1.00 0.00 C ATOM 140 CG ARG A 10 12.643 -8.011 -0.996 1.00 0.00 C ATOM 141 CD ARG A 10 13.692 -7.610 0.028 1.00 0.00 C ATOM 142 NE ARG A 10 13.549 -8.330 1.302 1.00 0.00 N ATOM 143 CZ ARG A 10 13.828 -9.629 1.482 1.00 0.00 C ATOM 144 NH1 ARG A 10 14.309 -10.374 0.489 1.00 0.00 N ATOM 145 NH2 ARG A 10 13.634 -10.181 2.672 1.00 0.00 N ATOM 0 H ARG A 10 11.108 -5.380 1.089 1.00 0.00 H new ATOM 0 HA ARG A 10 11.143 -5.934 -1.811 1.00 0.00 H new ATOM 0 HB2 ARG A 10 11.178 -7.845 0.541 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.539 -8.342 -1.014 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.709 -9.083 -1.183 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.847 -7.509 -1.942 1.00 0.00 H new ATOM 0 HD2 ARG A 10 14.684 -7.799 -0.382 1.00 0.00 H new ATOM 0 HD3 ARG A 10 13.622 -6.538 0.212 1.00 0.00 H new ATOM 0 HE ARG A 10 13.213 -7.803 2.108 1.00 0.00 H new ATOM 0 HH11 ARG A 10 14.471 -9.958 -0.428 1.00 0.00 H new ATOM 0 HH12 ARG A 10 14.515 -11.361 0.645 1.00 0.00 H new ATOM 0 HH21 ARG A 10 13.275 -9.618 3.443 1.00 0.00 H new ATOM 0 HH22 ARG A 10 13.844 -11.169 2.816 1.00 0.00 H new ATOM 159 N LYS A 11 8.650 -6.529 -1.869 1.00 0.00 N ATOM 160 CA LYS A 11 7.195 -6.520 -1.993 1.00 0.00 C ATOM 161 C LYS A 11 6.696 -7.866 -2.518 1.00 0.00 C ATOM 162 O LYS A 11 7.473 -8.648 -3.070 1.00 0.00 O ATOM 163 CB LYS A 11 6.769 -5.390 -2.937 1.00 0.00 C ATOM 164 CG LYS A 11 7.433 -5.459 -4.306 1.00 0.00 C ATOM 165 CD LYS A 11 7.232 -4.176 -5.087 1.00 0.00 C ATOM 166 CE LYS A 11 7.958 -4.208 -6.424 1.00 0.00 C ATOM 167 NZ LYS A 11 7.435 -5.274 -7.324 1.00 0.00 N ATOM 0 H LYS A 11 9.134 -6.863 -2.703 1.00 0.00 H new ATOM 0 HA LYS A 11 6.754 -6.352 -1.010 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.687 -5.423 -3.065 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.007 -4.432 -2.475 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.499 -5.649 -4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.022 -6.297 -4.869 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.167 -4.016 -5.256 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.592 -3.332 -4.498 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.856 -3.240 -6.914 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.022 -4.369 -6.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.197 -5.947 -7.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.656 -5.776 -6.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.087 -4.845 -8.205 1.00 0.00 H new ATOM 181 N LEU A 12 5.398 -8.128 -2.351 1.00 0.00 N ATOM 182 CA LEU A 12 4.801 -9.375 -2.820 1.00 0.00 C ATOM 183 C LEU A 12 3.804 -9.095 -3.936 1.00 0.00 C ATOM 184 O LEU A 12 2.821 -8.379 -3.734 1.00 0.00 O ATOM 185 CB LEU A 12 4.093 -10.150 -1.682 1.00 0.00 C ATOM 186 CG LEU A 12 4.957 -10.658 -0.498 1.00 0.00 C ATOM 187 CD1 LEU A 12 6.226 -11.365 -0.973 1.00 0.00 C ATOM 188 CD2 LEU A 12 5.304 -9.523 0.451 1.00 0.00 C ATOM 0 H LEU A 12 4.743 -7.493 -1.895 1.00 0.00 H new ATOM 0 HA LEU A 12 5.614 -9.997 -3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.314 -9.506 -1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.594 -11.012 -2.125 1.00 0.00 H new ATOM 0 HG LEU A 12 4.356 -11.391 0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.799 -11.703 -0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.956 -12.223 -1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.830 -10.673 -1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.910 -9.907 1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.864 -8.758 -0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.387 -9.089 0.850 1.00 0.00 H new ATOM 200 N CYS A 13 4.071 -9.665 -5.109 1.00 0.00 N ATOM 201 CA CYS A 13 3.211 -9.494 -6.275 1.00 0.00 C ATOM 202 C CYS A 13 2.685 -10.848 -6.750 1.00 0.00 C ATOM 203 O CYS A 13 3.064 -11.890 -6.208 1.00 0.00 O ATOM 204 CB CYS A 13 3.983 -8.803 -7.402 1.00 0.00 C ATOM 205 SG CYS A 13 4.705 -7.195 -6.936 1.00 0.00 S ATOM 0 H CYS A 13 4.886 -10.255 -5.276 1.00 0.00 H new ATOM 0 HA CYS A 13 2.363 -8.870 -5.995 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.782 -9.464 -7.738 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.313 -8.656 -8.249 1.00 0.00 H new ATOM 210 N ALA A 14 1.815 -10.824 -7.761 1.00 0.00 N ATOM 211 CA ALA A 14 1.239 -12.049 -8.311 1.00 0.00 C ATOM 212 C ALA A 14 2.124 -12.634 -9.407 1.00 0.00 C ATOM 213 O ALA A 14 2.041 -13.826 -9.710 1.00 0.00 O ATOM 214 CB ALA A 14 -0.162 -11.782 -8.841 1.00 0.00 C ATOM 0 H ALA A 14 1.495 -9.969 -8.215 1.00 0.00 H new ATOM 0 HA ALA A 14 1.177 -12.783 -7.507 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.579 -12.703 -9.248 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.796 -11.424 -8.030 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.116 -11.027 -9.626 1.00 0.00 H new ATOM 220 N ASP A 15 2.975 -11.786 -9.992 1.00 0.00 N ATOM 221 CA ASP A 15 3.887 -12.211 -11.053 1.00 0.00 C ATOM 222 C ASP A 15 5.224 -11.489 -10.927 1.00 0.00 C ATOM 223 O ASP A 15 5.364 -10.550 -10.139 1.00 0.00 O ATOM 224 CB ASP A 15 3.260 -11.948 -12.431 1.00 0.00 C ATOM 225 CG ASP A 15 4.032 -12.567 -13.584 1.00 0.00 C ATOM 226 OD1 ASP A 15 4.179 -13.808 -13.604 1.00 0.00 O ATOM 227 OD2 ASP A 15 4.488 -11.810 -14.466 1.00 0.00 O ATOM 0 H ASP A 15 3.050 -10.799 -9.746 1.00 0.00 H new ATOM 0 HA ASP A 15 4.064 -13.282 -10.952 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.242 -12.337 -12.437 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.190 -10.872 -12.589 1.00 0.00 H new ATOM 232 N GLN A 16 6.194 -11.940 -11.717 1.00 0.00 N ATOM 233 CA GLN A 16 7.542 -11.363 -11.727 1.00 0.00 C ATOM 234 C GLN A 16 7.523 -9.935 -12.285 1.00 0.00 C ATOM 235 O GLN A 16 8.410 -9.130 -11.991 1.00 0.00 O ATOM 236 CB GLN A 16 8.483 -12.254 -12.551 1.00 0.00 C ATOM 237 CG GLN A 16 9.955 -11.880 -12.439 1.00 0.00 C ATOM 238 CD GLN A 16 10.853 -12.786 -13.263 1.00 0.00 C ATOM 239 OE1 GLN A 16 10.728 -12.858 -14.485 1.00 0.00 O ATOM 240 NE2 GLN A 16 11.764 -13.484 -12.594 1.00 0.00 N ATOM 0 H GLN A 16 6.072 -12.715 -12.369 1.00 0.00 H new ATOM 0 HA GLN A 16 7.908 -11.314 -10.701 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.357 -13.289 -12.232 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.186 -12.205 -13.599 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.090 -10.848 -12.764 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.259 -11.927 -11.393 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.833 -13.394 -11.580 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.395 -14.110 -13.094 1.00 0.00 H new ATOM 249 N GLU A 17 6.493 -9.629 -13.076 1.00 0.00 N ATOM 250 CA GLU A 17 6.337 -8.301 -13.666 1.00 0.00 C ATOM 251 C GLU A 17 5.556 -7.391 -12.729 1.00 0.00 C ATOM 252 O GLU A 17 5.571 -6.167 -12.894 1.00 0.00 O ATOM 253 CB GLU A 17 5.584 -8.386 -15.000 1.00 0.00 C ATOM 254 CG GLU A 17 6.252 -9.267 -16.040 1.00 0.00 C ATOM 255 CD GLU A 17 5.525 -9.259 -17.371 1.00 0.00 C ATOM 256 OE1 GLU A 17 5.417 -8.177 -17.984 1.00 0.00 O ATOM 257 OE2 GLU A 17 5.063 -10.337 -17.800 1.00 0.00 O ATOM 0 H GLU A 17 5.753 -10.286 -13.323 1.00 0.00 H new ATOM 0 HA GLU A 17 7.334 -7.894 -13.833 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.579 -8.764 -14.813 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.476 -7.381 -15.408 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.278 -8.931 -16.190 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.303 -10.289 -15.665 1.00 0.00 H new ATOM 264 N CYS A 18 4.850 -8.014 -11.764 1.00 0.00 N ATOM 265 CA CYS A 18 4.010 -7.301 -10.793 1.00 0.00 C ATOM 266 C CYS A 18 2.942 -6.484 -11.532 1.00 0.00 C ATOM 267 O CYS A 18 2.443 -5.468 -11.040 1.00 0.00 O ATOM 268 CB CYS A 18 4.857 -6.412 -9.867 1.00 0.00 C ATOM 269 SG CYS A 18 4.002 -5.904 -8.339 1.00 0.00 S ATOM 0 H CYS A 18 4.849 -9.026 -11.640 1.00 0.00 H new ATOM 0 HA CYS A 18 3.510 -8.034 -10.159 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.768 -6.948 -9.600 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.160 -5.520 -10.415 1.00 0.00 H new ATOM 274 N SER A 19 2.612 -6.963 -12.735 1.00 0.00 N ATOM 275 CA SER A 19 1.623 -6.335 -13.598 1.00 0.00 C ATOM 276 C SER A 19 0.241 -6.961 -13.384 1.00 0.00 C ATOM 277 O SER A 19 -0.755 -6.511 -13.958 1.00 0.00 O ATOM 278 CB SER A 19 2.079 -6.466 -15.053 1.00 0.00 C ATOM 279 OG SER A 19 1.060 -6.085 -15.963 1.00 0.00 O ATOM 0 H SER A 19 3.030 -7.803 -13.135 1.00 0.00 H new ATOM 0 HA SER A 19 1.537 -5.277 -13.349 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.960 -5.845 -15.214 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.374 -7.497 -15.249 1.00 0.00 H new ATOM 0 HG SER A 19 0.214 -5.979 -15.481 1.00 0.00 H new ATOM 285 N HIS A 20 0.198 -7.994 -12.540 1.00 0.00 N ATOM 286 CA HIS A 20 -1.044 -8.693 -12.222 1.00 0.00 C ATOM 287 C HIS A 20 -1.645 -8.197 -10.900 1.00 0.00 C ATOM 288 O HIS A 20 -0.902 -7.832 -9.986 1.00 0.00 O ATOM 289 CB HIS A 20 -0.790 -10.201 -12.124 1.00 0.00 C ATOM 290 CG HIS A 20 -0.922 -10.962 -13.413 1.00 0.00 C ATOM 291 ND1 HIS A 20 -0.883 -12.335 -13.452 1.00 0.00 N ATOM 292 CD2 HIS A 20 -1.121 -10.558 -14.696 1.00 0.00 C ATOM 293 CE1 HIS A 20 -1.059 -12.748 -14.689 1.00 0.00 C ATOM 294 NE2 HIS A 20 -1.203 -11.691 -15.467 1.00 0.00 N ATOM 0 H HIS A 20 1.019 -8.366 -12.062 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.752 -8.486 -13.024 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.214 -10.358 -11.730 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.486 -10.623 -11.400 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.200 -9.538 -15.043 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.082 -13.778 -15.013 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.351 -11.713 -16.476 1.00 0.00 H new ATOM 303 N PRO A 21 -3.003 -8.187 -10.764 1.00 0.00 N ATOM 304 CA PRO A 21 -3.673 -7.750 -9.548 1.00 0.00 C ATOM 305 C PRO A 21 -3.967 -8.916 -8.602 1.00 0.00 C ATOM 306 O PRO A 21 -4.654 -9.875 -8.970 1.00 0.00 O ATOM 307 CB PRO A 21 -4.966 -7.134 -10.085 1.00 0.00 C ATOM 308 CG PRO A 21 -5.220 -7.782 -11.417 1.00 0.00 C ATOM 309 CD PRO A 21 -4.003 -8.605 -11.766 1.00 0.00 C ATOM 0 HA PRO A 21 -3.071 -7.062 -8.955 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.795 -7.313 -9.401 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.868 -6.054 -10.191 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.108 -8.412 -11.373 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.403 -7.027 -12.181 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.210 -9.673 -11.704 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.661 -8.405 -12.781 1.00 0.00 H new ATOM 317 N ILE A 22 -3.429 -8.836 -7.386 1.00 0.00 N ATOM 318 CA ILE A 22 -3.619 -9.891 -6.395 1.00 0.00 C ATOM 319 C ILE A 22 -5.059 -9.935 -5.894 1.00 0.00 C ATOM 320 O ILE A 22 -5.763 -10.914 -6.128 1.00 0.00 O ATOM 321 CB ILE A 22 -2.664 -9.735 -5.184 1.00 0.00 C ATOM 322 CG1 ILE A 22 -1.208 -9.630 -5.662 1.00 0.00 C ATOM 323 CG2 ILE A 22 -2.833 -10.916 -4.221 1.00 0.00 C ATOM 324 CD1 ILE A 22 -0.245 -9.146 -4.597 1.00 0.00 C ATOM 0 H ILE A 22 -2.860 -8.053 -7.065 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.386 -10.827 -6.903 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.917 -8.817 -4.653 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.881 -10.608 -6.016 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.164 -8.951 -6.514 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.157 -10.795 -3.375 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.862 -10.948 -3.862 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.601 -11.845 -4.741 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.762 -9.099 -5.011 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.545 -8.154 -4.259 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.258 -9.836 -3.754 1.00 0.00 H new ATOM 336 N SER A 23 -5.485 -8.886 -5.188 1.00 0.00 N ATOM 337 CA SER A 23 -6.837 -8.840 -4.642 1.00 0.00 C ATOM 338 C SER A 23 -7.531 -7.516 -4.925 1.00 0.00 C ATOM 339 O SER A 23 -6.925 -6.446 -4.838 1.00 0.00 O ATOM 340 CB SER A 23 -6.799 -9.090 -3.132 1.00 0.00 C ATOM 341 OG SER A 23 -5.993 -8.127 -2.474 1.00 0.00 O ATOM 0 H SER A 23 -4.916 -8.064 -4.984 1.00 0.00 H new ATOM 0 HA SER A 23 -7.412 -9.623 -5.136 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.811 -9.057 -2.730 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.410 -10.089 -2.936 1.00 0.00 H new ATOM 0 HG SER A 23 -5.987 -8.308 -1.511 1.00 0.00 H new ATOM 347 N MET A 24 -8.818 -7.613 -5.244 1.00 0.00 N ATOM 348 CA MET A 24 -9.650 -6.452 -5.522 1.00 0.00 C ATOM 349 C MET A 24 -10.321 -6.010 -4.224 1.00 0.00 C ATOM 350 O MET A 24 -11.134 -6.750 -3.660 1.00 0.00 O ATOM 351 CB MET A 24 -10.710 -6.806 -6.567 1.00 0.00 C ATOM 352 CG MET A 24 -11.316 -5.598 -7.261 1.00 0.00 C ATOM 353 SD MET A 24 -12.822 -5.992 -8.175 1.00 0.00 S ATOM 354 CE MET A 24 -13.939 -6.412 -6.839 1.00 0.00 C ATOM 0 H MET A 24 -9.313 -8.502 -5.317 1.00 0.00 H new ATOM 0 HA MET A 24 -9.036 -5.642 -5.915 1.00 0.00 H new ATOM 0 HB2 MET A 24 -10.263 -7.458 -7.318 1.00 0.00 H new ATOM 0 HB3 MET A 24 -11.506 -7.374 -6.085 1.00 0.00 H new ATOM 0 HG2 MET A 24 -11.538 -4.832 -6.518 1.00 0.00 H new ATOM 0 HG3 MET A 24 -10.582 -5.173 -7.946 1.00 0.00 H new ATOM 0 HE1 MET A 24 -14.968 -6.263 -7.165 1.00 0.00 H new ATOM 0 HE2 MET A 24 -13.795 -7.455 -6.558 1.00 0.00 H new ATOM 0 HE3 MET A 24 -13.735 -5.773 -5.980 1.00 0.00 H new ATOM 364 N ALA A 25 -9.964 -4.822 -3.737 1.00 0.00 N ATOM 365 CA ALA A 25 -10.524 -4.318 -2.487 1.00 0.00 C ATOM 366 C ALA A 25 -11.270 -3.004 -2.685 1.00 0.00 C ATOM 367 O ALA A 25 -10.843 -2.146 -3.460 1.00 0.00 O ATOM 368 CB ALA A 25 -9.421 -4.148 -1.454 1.00 0.00 C ATOM 0 H ALA A 25 -9.295 -4.196 -4.186 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.247 -5.051 -2.129 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.848 -3.772 -0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.943 -5.110 -1.270 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.680 -3.440 -1.826 1.00 0.00 H new ATOM 374 N VAL A 26 -12.384 -2.859 -1.967 1.00 0.00 N ATOM 375 CA VAL A 26 -13.207 -1.648 -2.041 1.00 0.00 C ATOM 376 C VAL A 26 -12.806 -0.663 -0.935 1.00 0.00 C ATOM 377 O VAL A 26 -12.646 -1.057 0.222 1.00 0.00 O ATOM 378 CB VAL A 26 -14.718 -1.983 -1.920 1.00 0.00 C ATOM 379 CG1 VAL A 26 -15.577 -0.738 -2.108 1.00 0.00 C ATOM 380 CG2 VAL A 26 -15.112 -3.052 -2.932 1.00 0.00 C ATOM 0 H VAL A 26 -12.740 -3.567 -1.325 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.034 -1.190 -3.015 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.894 -2.367 -0.915 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -16.630 -1.005 -2.018 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.323 -0.002 -1.345 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.394 -0.315 -3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -16.175 -3.274 -2.832 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.910 -2.691 -3.940 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.534 -3.958 -2.749 1.00 0.00 H new ATOM 390 N ALA A 27 -12.645 0.616 -1.303 1.00 0.00 N ATOM 391 CA ALA A 27 -12.258 1.659 -0.347 1.00 0.00 C ATOM 392 C ALA A 27 -13.385 1.965 0.636 1.00 0.00 C ATOM 393 O ALA A 27 -14.529 2.201 0.237 1.00 0.00 O ATOM 394 CB ALA A 27 -11.839 2.925 -1.076 1.00 0.00 C ATOM 0 H ALA A 27 -12.777 0.952 -2.257 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.409 1.282 0.223 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.556 3.686 -0.349 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.990 2.708 -1.724 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.671 3.290 -1.679 1.00 0.00 H new ATOM 400 N LEU A 28 -13.042 1.943 1.925 1.00 0.00 N ATOM 401 CA LEU A 28 -13.998 2.200 3.000 1.00 0.00 C ATOM 402 C LEU A 28 -14.057 3.678 3.388 1.00 0.00 C ATOM 403 O LEU A 28 -15.053 4.123 3.966 1.00 0.00 O ATOM 404 CB LEU A 28 -13.634 1.360 4.231 1.00 0.00 C ATOM 405 CG LEU A 28 -13.821 -0.157 4.091 1.00 0.00 C ATOM 406 CD1 LEU A 28 -13.176 -0.875 5.267 1.00 0.00 C ATOM 407 CD2 LEU A 28 -15.298 -0.523 3.986 1.00 0.00 C ATOM 0 H LEU A 28 -12.096 1.747 2.251 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.984 1.919 2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.592 1.556 4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.236 1.704 5.072 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.332 -0.477 3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.315 -1.951 5.157 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.110 -0.647 5.292 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.640 -0.542 6.195 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -15.399 -1.604 3.888 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -15.820 -0.190 4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -15.732 -0.037 3.112 1.00 0.00 H new ATOM 419 N GLN A 29 -12.993 4.434 3.089 1.00 0.00 N ATOM 420 CA GLN A 29 -12.949 5.860 3.433 1.00 0.00 C ATOM 421 C GLN A 29 -12.095 6.668 2.445 1.00 0.00 C ATOM 422 O GLN A 29 -11.616 6.135 1.441 1.00 0.00 O ATOM 423 CB GLN A 29 -12.421 6.045 4.865 1.00 0.00 C ATOM 424 CG GLN A 29 -11.022 5.489 5.089 1.00 0.00 C ATOM 425 CD GLN A 29 -10.481 5.819 6.467 1.00 0.00 C ATOM 426 OE1 GLN A 29 -11.018 5.374 7.482 1.00 0.00 O ATOM 427 NE2 GLN A 29 -9.416 6.610 6.507 1.00 0.00 N ATOM 0 H GLN A 29 -12.160 4.086 2.615 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.968 6.241 3.370 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.421 7.108 5.106 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.108 5.561 5.559 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.039 4.407 4.958 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.349 5.891 4.332 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.004 6.955 5.640 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.009 6.873 7.405 1.00 0.00 H new ATOM 436 N ASP A 30 -11.917 7.960 2.752 1.00 0.00 N ATOM 437 CA ASP A 30 -11.132 8.870 1.916 1.00 0.00 C ATOM 438 C ASP A 30 -9.672 8.905 2.363 1.00 0.00 C ATOM 439 O ASP A 30 -9.363 8.648 3.529 1.00 0.00 O ATOM 440 CB ASP A 30 -11.716 10.285 1.982 1.00 0.00 C ATOM 441 CG ASP A 30 -13.141 10.358 1.468 1.00 0.00 C ATOM 442 OD1 ASP A 30 -13.351 10.110 0.264 1.00 0.00 O ATOM 443 OD2 ASP A 30 -14.047 10.664 2.272 1.00 0.00 O ATOM 0 H ASP A 30 -12.312 8.399 3.583 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.176 8.503 0.891 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.688 10.637 3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.089 10.959 1.398 1.00 0.00 H new ATOM 448 N TYR A 31 -8.782 9.237 1.423 1.00 0.00 N ATOM 449 CA TYR A 31 -7.350 9.324 1.698 1.00 0.00 C ATOM 450 C TYR A 31 -6.685 10.342 0.773 1.00 0.00 C ATOM 451 O TYR A 31 -6.925 10.335 -0.438 1.00 0.00 O ATOM 452 CB TYR A 31 -6.676 7.957 1.520 1.00 0.00 C ATOM 453 CG TYR A 31 -5.329 7.853 2.212 1.00 0.00 C ATOM 454 CD1 TYR A 31 -5.241 7.754 3.598 1.00 0.00 C ATOM 455 CD2 TYR A 31 -4.149 7.858 1.479 1.00 0.00 C ATOM 456 CE1 TYR A 31 -4.017 7.665 4.230 1.00 0.00 C ATOM 457 CE2 TYR A 31 -2.921 7.769 2.106 1.00 0.00 C ATOM 458 CZ TYR A 31 -2.861 7.673 3.481 1.00 0.00 C ATOM 459 OH TYR A 31 -1.641 7.586 4.109 1.00 0.00 O ATOM 0 H TYR A 31 -9.034 9.451 0.458 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.230 9.647 2.732 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.336 7.182 1.908 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.545 7.761 0.456 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.145 7.747 4.188 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.192 7.933 0.402 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.966 7.589 5.306 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.012 7.775 1.522 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.927 7.588 3.438 1.00 0.00 H new ATOM 469 N MET A 32 -5.841 11.202 1.350 1.00 0.00 N ATOM 470 CA MET A 32 -5.122 12.220 0.582 1.00 0.00 C ATOM 471 C MET A 32 -3.634 11.885 0.508 1.00 0.00 C ATOM 472 O MET A 32 -3.006 11.594 1.529 1.00 0.00 O ATOM 473 CB MET A 32 -5.318 13.605 1.207 1.00 0.00 C ATOM 474 CG MET A 32 -6.766 14.066 1.229 1.00 0.00 C ATOM 475 SD MET A 32 -6.986 15.671 2.028 1.00 0.00 S ATOM 476 CE MET A 32 -6.135 16.760 0.885 1.00 0.00 C ATOM 0 H MET A 32 -5.639 11.213 2.350 1.00 0.00 H new ATOM 0 HA MET A 32 -5.528 12.232 -0.429 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.935 13.591 2.227 1.00 0.00 H new ATOM 0 HB3 MET A 32 -4.723 14.331 0.653 1.00 0.00 H new ATOM 0 HG2 MET A 32 -7.139 14.122 0.206 1.00 0.00 H new ATOM 0 HG3 MET A 32 -7.370 13.322 1.749 1.00 0.00 H new ATOM 0 HE1 MET A 32 -6.381 17.796 1.118 1.00 0.00 H new ATOM 0 HE2 MET A 32 -5.059 16.613 0.975 1.00 0.00 H new ATOM 0 HE3 MET A 32 -6.448 16.534 -0.134 1.00 0.00 H new ATOM 486 N ALA A 33 -3.082 11.914 -0.708 1.00 0.00 N ATOM 487 CA ALA A 33 -1.669 11.597 -0.927 1.00 0.00 C ATOM 488 C ALA A 33 -0.781 12.851 -0.923 1.00 0.00 C ATOM 489 O ALA A 33 -0.960 13.732 -1.769 1.00 0.00 O ATOM 490 CB ALA A 33 -1.505 10.860 -2.242 1.00 0.00 C ATOM 0 H ALA A 33 -3.594 12.154 -1.557 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.347 10.965 -0.100 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.452 10.627 -2.400 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.081 9.935 -2.215 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.864 11.487 -3.058 1.00 0.00 H new ATOM 496 N PRO A 34 0.205 12.953 0.016 1.00 0.00 N ATOM 497 CA PRO A 34 1.113 14.102 0.088 1.00 0.00 C ATOM 498 C PRO A 34 2.183 14.051 -1.009 1.00 0.00 C ATOM 499 O PRO A 34 2.214 14.910 -1.894 1.00 0.00 O ATOM 500 CB PRO A 34 1.759 13.985 1.481 1.00 0.00 C ATOM 501 CG PRO A 34 1.059 12.856 2.163 1.00 0.00 C ATOM 502 CD PRO A 34 0.527 11.977 1.072 1.00 0.00 C ATOM 0 HA PRO A 34 0.587 15.045 -0.060 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.828 13.790 1.401 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.645 14.912 2.043 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.744 12.305 2.808 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.251 13.224 2.796 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.266 11.247 0.740 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.352 11.418 1.392 1.00 0.00 H new ATOM 510 N ASP A 35 3.048 13.030 -0.946 1.00 0.00 N ATOM 511 CA ASP A 35 4.115 12.845 -1.933 1.00 0.00 C ATOM 512 C ASP A 35 3.642 11.953 -3.085 1.00 0.00 C ATOM 513 O ASP A 35 2.580 11.324 -2.994 1.00 0.00 O ATOM 514 CB ASP A 35 5.366 12.263 -1.264 1.00 0.00 C ATOM 515 CG ASP A 35 5.081 10.996 -0.486 1.00 0.00 C ATOM 516 OD1 ASP A 35 4.714 9.986 -1.114 1.00 0.00 O ATOM 517 OD2 ASP A 35 5.218 11.019 0.755 1.00 0.00 O ATOM 0 H ASP A 35 3.027 12.317 -0.217 1.00 0.00 H new ATOM 0 HA ASP A 35 4.373 13.819 -2.350 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.116 12.054 -2.027 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.793 13.008 -0.592 1.00 0.00 H new ATOM 522 N CYS A 36 4.428 11.912 -4.171 1.00 0.00 N ATOM 523 CA CYS A 36 4.076 11.116 -5.356 1.00 0.00 C ATOM 524 C CYS A 36 4.074 9.605 -5.090 1.00 0.00 C ATOM 525 O CYS A 36 3.538 8.842 -5.899 1.00 0.00 O ATOM 526 CB CYS A 36 5.032 11.427 -6.510 1.00 0.00 C ATOM 527 SG CYS A 36 6.703 10.742 -6.291 1.00 0.00 S ATOM 0 H CYS A 36 5.309 12.419 -4.253 1.00 0.00 H new ATOM 0 HA CYS A 36 3.058 11.400 -5.622 1.00 0.00 H new ATOM 0 HB2 CYS A 36 4.608 11.036 -7.435 1.00 0.00 H new ATOM 0 HB3 CYS A 36 5.106 12.508 -6.626 1.00 0.00 H new ATOM 532 N ARG A 37 4.670 9.170 -3.973 1.00 0.00 N ATOM 533 CA ARG A 37 4.715 7.742 -3.647 1.00 0.00 C ATOM 534 C ARG A 37 3.368 7.248 -3.137 1.00 0.00 C ATOM 535 O ARG A 37 3.045 6.073 -3.291 1.00 0.00 O ATOM 536 CB ARG A 37 5.789 7.437 -2.599 1.00 0.00 C ATOM 537 CG ARG A 37 7.208 7.716 -3.057 1.00 0.00 C ATOM 538 CD ARG A 37 8.208 7.374 -1.960 1.00 0.00 C ATOM 539 NE ARG A 37 9.581 7.754 -2.302 1.00 0.00 N ATOM 540 CZ ARG A 37 10.015 9.015 -2.428 1.00 0.00 C ATOM 541 NH1 ARG A 37 9.203 10.048 -2.210 1.00 0.00 N ATOM 542 NH2 ARG A 37 11.275 9.240 -2.755 1.00 0.00 N ATOM 0 H ARG A 37 5.121 9.778 -3.289 1.00 0.00 H new ATOM 0 HA ARG A 37 4.963 7.219 -4.571 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.586 8.027 -1.706 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.712 6.388 -2.312 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.428 7.132 -3.951 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.307 8.766 -3.331 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.916 7.878 -1.039 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.171 6.303 -1.763 1.00 0.00 H new ATOM 0 HE ARG A 37 10.255 7.004 -2.455 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.232 9.886 -1.942 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.552 11.001 -2.311 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.910 8.456 -2.910 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.613 10.197 -2.853 1.00 0.00 H new ATOM 556 N PHE A 38 2.585 8.142 -2.529 1.00 0.00 N ATOM 557 CA PHE A 38 1.276 7.763 -2.000 1.00 0.00 C ATOM 558 C PHE A 38 0.187 7.946 -3.054 1.00 0.00 C ATOM 559 O PHE A 38 0.392 8.634 -4.057 1.00 0.00 O ATOM 560 CB PHE A 38 0.949 8.556 -0.723 1.00 0.00 C ATOM 561 CG PHE A 38 1.594 8.011 0.536 1.00 0.00 C ATOM 562 CD1 PHE A 38 2.977 7.946 0.678 1.00 0.00 C ATOM 563 CD2 PHE A 38 0.804 7.570 1.585 1.00 0.00 C ATOM 564 CE1 PHE A 38 3.549 7.451 1.835 1.00 0.00 C ATOM 565 CE2 PHE A 38 1.373 7.076 2.744 1.00 0.00 C ATOM 566 CZ PHE A 38 2.746 7.015 2.868 1.00 0.00 C ATOM 0 H PHE A 38 2.832 9.122 -2.392 1.00 0.00 H new ATOM 0 HA PHE A 38 1.312 6.706 -1.737 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.266 9.590 -0.861 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.132 8.570 -0.586 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.612 8.287 -0.127 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.271 7.613 1.496 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.624 7.406 1.930 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.743 6.738 3.553 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.191 6.627 3.772 1.00 0.00 H new ATOM 576 N LEU A 39 -0.962 7.303 -2.826 1.00 0.00 N ATOM 577 CA LEU A 39 -2.089 7.361 -3.760 1.00 0.00 C ATOM 578 C LEU A 39 -3.338 7.959 -3.103 1.00 0.00 C ATOM 579 O LEU A 39 -3.677 7.617 -1.968 1.00 0.00 O ATOM 580 CB LEU A 39 -2.378 5.939 -4.282 1.00 0.00 C ATOM 581 CG LEU A 39 -3.546 5.780 -5.272 1.00 0.00 C ATOM 582 CD1 LEU A 39 -3.303 6.559 -6.557 1.00 0.00 C ATOM 583 CD2 LEU A 39 -3.755 4.308 -5.592 1.00 0.00 C ATOM 0 H LEU A 39 -1.136 6.734 -1.998 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.823 8.014 -4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.474 5.565 -4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.572 5.296 -3.423 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.441 6.185 -4.800 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.149 6.422 -7.231 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.191 7.618 -6.325 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.394 6.195 -7.037 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.583 4.202 -6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.848 3.900 -6.038 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.984 3.765 -4.675 1.00 0.00 H new ATOM 595 N THR A 40 -4.023 8.843 -3.841 1.00 0.00 N ATOM 596 CA THR A 40 -5.248 9.484 -3.356 1.00 0.00 C ATOM 597 C THR A 40 -6.448 8.615 -3.722 1.00 0.00 C ATOM 598 O THR A 40 -6.646 8.280 -4.892 1.00 0.00 O ATOM 599 CB THR A 40 -5.396 10.893 -3.955 1.00 0.00 C ATOM 600 OG1 THR A 40 -4.287 11.703 -3.607 1.00 0.00 O ATOM 601 CG2 THR A 40 -6.643 11.626 -3.500 1.00 0.00 C ATOM 0 H THR A 40 -3.746 9.130 -4.780 1.00 0.00 H new ATOM 0 HA THR A 40 -5.196 9.587 -2.272 1.00 0.00 H new ATOM 0 HB THR A 40 -5.461 10.733 -5.031 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.398 12.595 -3.998 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.676 12.611 -3.965 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.526 11.057 -3.792 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.625 11.737 -2.416 1.00 0.00 H new ATOM 609 N ILE A 41 -7.224 8.226 -2.707 1.00 0.00 N ATOM 610 CA ILE A 41 -8.388 7.359 -2.912 1.00 0.00 C ATOM 611 C ILE A 41 -9.652 7.952 -2.282 1.00 0.00 C ATOM 612 O ILE A 41 -9.595 8.562 -1.219 1.00 0.00 O ATOM 613 CB ILE A 41 -8.126 5.945 -2.315 1.00 0.00 C ATOM 614 CG1 ILE A 41 -6.814 5.363 -2.873 1.00 0.00 C ATOM 615 CG2 ILE A 41 -9.293 5.006 -2.619 1.00 0.00 C ATOM 616 CD1 ILE A 41 -6.337 4.107 -2.170 1.00 0.00 C ATOM 0 H ILE A 41 -7.068 8.497 -1.736 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.546 7.278 -3.987 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.035 6.041 -1.233 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.950 5.143 -3.932 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.035 6.122 -2.803 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.090 4.023 -2.193 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.207 5.409 -2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.415 4.915 -3.698 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.408 3.765 -2.626 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.165 4.323 -1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.094 3.328 -2.262 1.00 0.00 H new ATOM 628 N HIS A 42 -10.795 7.744 -2.946 1.00 0.00 N ATOM 629 CA HIS A 42 -12.083 8.230 -2.453 1.00 0.00 C ATOM 630 C HIS A 42 -12.943 7.063 -1.972 1.00 0.00 C ATOM 631 O HIS A 42 -12.804 5.935 -2.459 1.00 0.00 O ATOM 632 CB HIS A 42 -12.827 9.021 -3.542 1.00 0.00 C ATOM 633 CG HIS A 42 -12.234 10.369 -3.873 1.00 0.00 C ATOM 634 ND1 HIS A 42 -12.745 11.181 -4.865 1.00 0.00 N ATOM 635 CD2 HIS A 42 -11.187 11.054 -3.339 1.00 0.00 C ATOM 636 CE1 HIS A 42 -12.043 12.299 -4.927 1.00 0.00 C ATOM 637 NE2 HIS A 42 -11.093 12.246 -4.012 1.00 0.00 N ATOM 0 H HIS A 42 -10.851 7.239 -3.831 1.00 0.00 H new ATOM 0 HA HIS A 42 -11.892 8.899 -1.614 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -12.854 8.420 -4.451 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -13.860 9.164 -3.224 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -10.548 10.721 -2.534 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -12.217 13.117 -5.610 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -10.401 12.974 -3.834 1.00 0.00 H new ATOM 646 N ARG A 43 -13.820 7.346 -1.008 1.00 0.00 N ATOM 647 CA ARG A 43 -14.709 6.340 -0.426 1.00 0.00 C ATOM 648 C ARG A 43 -15.688 5.786 -1.467 1.00 0.00 C ATOM 649 O ARG A 43 -16.468 6.537 -2.058 1.00 0.00 O ATOM 650 CB ARG A 43 -15.479 6.955 0.751 1.00 0.00 C ATOM 651 CG ARG A 43 -16.321 5.958 1.536 1.00 0.00 C ATOM 652 CD ARG A 43 -17.095 6.636 2.658 1.00 0.00 C ATOM 653 NE ARG A 43 -18.057 7.620 2.153 1.00 0.00 N ATOM 654 CZ ARG A 43 -18.859 8.358 2.927 1.00 0.00 C ATOM 655 NH1 ARG A 43 -18.830 8.240 4.252 1.00 0.00 N ATOM 656 NH2 ARG A 43 -19.697 9.222 2.369 1.00 0.00 N ATOM 0 H ARG A 43 -13.934 8.278 -0.609 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.100 5.509 -0.071 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -14.768 7.426 1.429 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -16.129 7.744 0.373 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -17.018 5.460 0.862 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.675 5.186 1.954 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -17.623 5.881 3.241 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.395 7.128 3.333 1.00 0.00 H new ATOM 0 HE ARG A 43 -18.119 7.750 1.143 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -18.189 7.579 4.691 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -19.448 8.811 4.828 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -19.727 9.321 1.354 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -20.311 9.788 2.955 1.00 0.00 H new ATOM 670 N GLY A 44 -15.643 4.464 -1.668 1.00 0.00 N ATOM 671 CA GLY A 44 -16.535 3.819 -2.620 1.00 0.00 C ATOM 672 C GLY A 44 -15.860 3.432 -3.928 1.00 0.00 C ATOM 673 O GLY A 44 -16.447 2.700 -4.728 1.00 0.00 O ATOM 0 H GLY A 44 -15.004 3.831 -1.187 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.956 2.925 -2.161 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.367 4.489 -2.836 1.00 0.00 H new ATOM 677 N GLN A 45 -14.636 3.921 -4.152 1.00 0.00 N ATOM 678 CA GLN A 45 -13.901 3.613 -5.383 1.00 0.00 C ATOM 679 C GLN A 45 -13.282 2.218 -5.340 1.00 0.00 C ATOM 680 O GLN A 45 -12.909 1.726 -4.273 1.00 0.00 O ATOM 681 CB GLN A 45 -12.804 4.649 -5.639 1.00 0.00 C ATOM 682 CG GLN A 45 -13.335 6.017 -6.041 1.00 0.00 C ATOM 683 CD GLN A 45 -12.253 6.931 -6.584 1.00 0.00 C ATOM 684 OE1 GLN A 45 -11.268 7.222 -5.907 1.00 0.00 O ATOM 685 NE2 GLN A 45 -12.433 7.391 -7.819 1.00 0.00 N ATOM 0 H GLN A 45 -14.136 4.528 -3.502 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.624 3.644 -6.198 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -12.199 4.754 -4.738 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.145 4.280 -6.425 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -14.112 5.893 -6.796 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -13.803 6.489 -5.177 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -13.265 7.125 -8.346 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.739 8.010 -8.239 1.00 0.00 H new ATOM 694 N VAL A 46 -13.166 1.598 -6.519 1.00 0.00 N ATOM 695 CA VAL A 46 -12.579 0.262 -6.645 1.00 0.00 C ATOM 696 C VAL A 46 -11.066 0.383 -6.783 1.00 0.00 C ATOM 697 O VAL A 46 -10.580 1.070 -7.680 1.00 0.00 O ATOM 698 CB VAL A 46 -13.125 -0.503 -7.879 1.00 0.00 C ATOM 699 CG1 VAL A 46 -12.844 -1.994 -7.754 1.00 0.00 C ATOM 700 CG2 VAL A 46 -14.612 -0.250 -8.087 1.00 0.00 C ATOM 0 H VAL A 46 -13.473 2.004 -7.403 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.848 -0.296 -5.748 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.603 -0.124 -8.758 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.235 -2.513 -8.629 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.768 -2.157 -7.686 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -13.327 -2.381 -6.857 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -14.956 -0.803 -8.961 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -15.164 -0.581 -7.207 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.782 0.815 -8.242 1.00 0.00 H new ATOM 710 N VAL A 47 -10.324 -0.273 -5.889 1.00 0.00 N ATOM 711 CA VAL A 47 -8.861 -0.214 -5.924 1.00 0.00 C ATOM 712 C VAL A 47 -8.252 -1.607 -6.084 1.00 0.00 C ATOM 713 O VAL A 47 -8.475 -2.494 -5.256 1.00 0.00 O ATOM 714 CB VAL A 47 -8.275 0.452 -4.651 1.00 0.00 C ATOM 715 CG1 VAL A 47 -6.801 0.789 -4.847 1.00 0.00 C ATOM 716 CG2 VAL A 47 -9.053 1.703 -4.266 1.00 0.00 C ATOM 0 H VAL A 47 -10.707 -0.847 -5.138 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.601 0.396 -6.789 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.366 -0.266 -3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.411 1.255 -3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.243 -0.124 -5.054 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.694 1.478 -5.685 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.615 2.143 -3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.010 2.424 -5.083 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.092 1.439 -4.069 1.00 0.00 H new ATOM 726 N TYR A 48 -7.470 -1.777 -7.150 1.00 0.00 N ATOM 727 CA TYR A 48 -6.802 -3.046 -7.432 1.00 0.00 C ATOM 728 C TYR A 48 -5.415 -3.059 -6.792 1.00 0.00 C ATOM 729 O TYR A 48 -4.602 -2.167 -7.051 1.00 0.00 O ATOM 730 CB TYR A 48 -6.666 -3.277 -8.952 1.00 0.00 C ATOM 731 CG TYR A 48 -7.938 -3.689 -9.695 1.00 0.00 C ATOM 732 CD1 TYR A 48 -9.196 -3.164 -9.384 1.00 0.00 C ATOM 733 CD2 TYR A 48 -7.862 -4.605 -10.738 1.00 0.00 C ATOM 734 CE1 TYR A 48 -10.323 -3.545 -10.087 1.00 0.00 C ATOM 735 CE2 TYR A 48 -8.989 -4.989 -11.441 1.00 0.00 C ATOM 736 CZ TYR A 48 -10.214 -4.457 -11.112 1.00 0.00 C ATOM 737 OH TYR A 48 -11.336 -4.837 -11.813 1.00 0.00 O ATOM 0 H TYR A 48 -7.283 -1.046 -7.836 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.410 -3.847 -7.011 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.288 -2.360 -9.404 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.911 -4.047 -9.114 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -9.288 -2.448 -8.580 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.903 -5.025 -11.005 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -11.286 -3.128 -9.833 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.908 -5.704 -12.246 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.528 -4.173 -12.508 1.00 0.00 H new ATOM 747 N VAL A 49 -5.150 -4.065 -5.958 1.00 0.00 N ATOM 748 CA VAL A 49 -3.856 -4.188 -5.284 1.00 0.00 C ATOM 749 C VAL A 49 -2.880 -4.976 -6.157 1.00 0.00 C ATOM 750 O VAL A 49 -3.226 -6.037 -6.672 1.00 0.00 O ATOM 751 CB VAL A 49 -3.994 -4.879 -3.904 1.00 0.00 C ATOM 752 CG1 VAL A 49 -2.673 -4.860 -3.143 1.00 0.00 C ATOM 753 CG2 VAL A 49 -5.092 -4.217 -3.080 1.00 0.00 C ATOM 0 H VAL A 49 -5.813 -4.806 -5.733 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.472 -3.181 -5.122 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.268 -5.920 -4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.801 -5.352 -2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.913 -5.386 -3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.359 -3.828 -2.985 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.174 -4.716 -2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.847 -3.166 -2.926 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.041 -4.294 -3.610 1.00 0.00 H new ATOM 763 N PHE A 50 -1.668 -4.442 -6.326 1.00 0.00 N ATOM 764 CA PHE A 50 -0.646 -5.091 -7.146 1.00 0.00 C ATOM 765 C PHE A 50 0.525 -5.598 -6.304 1.00 0.00 C ATOM 766 O PHE A 50 1.093 -6.651 -6.604 1.00 0.00 O ATOM 767 CB PHE A 50 -0.123 -4.132 -8.229 1.00 0.00 C ATOM 768 CG PHE A 50 -1.094 -3.866 -9.355 1.00 0.00 C ATOM 769 CD1 PHE A 50 -2.168 -3.002 -9.188 1.00 0.00 C ATOM 770 CD2 PHE A 50 -0.928 -4.485 -10.584 1.00 0.00 C ATOM 771 CE1 PHE A 50 -3.052 -2.763 -10.223 1.00 0.00 C ATOM 772 CE2 PHE A 50 -1.810 -4.250 -11.621 1.00 0.00 C ATOM 773 CZ PHE A 50 -2.873 -3.388 -11.440 1.00 0.00 C ATOM 0 H PHE A 50 -1.372 -3.561 -5.905 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.121 -5.949 -7.621 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.138 -3.183 -7.760 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.795 -4.544 -8.648 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.314 -2.511 -8.237 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.098 -5.160 -10.733 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.882 -2.088 -10.079 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.668 -4.740 -12.573 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.563 -3.203 -12.250 1.00 0.00 H new ATOM 783 N SER A 51 0.894 -4.844 -5.261 1.00 0.00 N ATOM 784 CA SER A 51 2.015 -5.230 -4.398 1.00 0.00 C ATOM 785 C SER A 51 1.742 -4.945 -2.924 1.00 0.00 C ATOM 786 O SER A 51 1.083 -3.963 -2.580 1.00 0.00 O ATOM 787 CB SER A 51 3.289 -4.492 -4.820 1.00 0.00 C ATOM 788 OG SER A 51 3.100 -3.087 -4.788 1.00 0.00 O ATOM 0 H SER A 51 0.437 -3.971 -4.997 1.00 0.00 H new ATOM 0 HA SER A 51 2.144 -6.306 -4.516 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.109 -4.767 -4.156 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.576 -4.801 -5.825 1.00 0.00 H new ATOM 0 HG SER A 51 3.928 -2.639 -5.060 1.00 0.00 H new ATOM 794 N LYS A 52 2.291 -5.808 -2.060 1.00 0.00 N ATOM 795 CA LYS A 52 2.156 -5.662 -0.609 1.00 0.00 C ATOM 796 C LYS A 52 3.554 -5.568 0.002 1.00 0.00 C ATOM 797 O LYS A 52 4.339 -6.508 -0.103 1.00 0.00 O ATOM 798 CB LYS A 52 1.394 -6.846 0.011 1.00 0.00 C ATOM 799 CG LYS A 52 0.202 -7.323 -0.806 1.00 0.00 C ATOM 800 CD LYS A 52 -0.477 -8.513 -0.167 1.00 0.00 C ATOM 801 CE LYS A 52 -1.675 -8.960 -0.985 1.00 0.00 C ATOM 802 NZ LYS A 52 -2.625 -7.846 -1.257 1.00 0.00 N ATOM 0 H LYS A 52 2.837 -6.621 -2.346 1.00 0.00 H new ATOM 0 HA LYS A 52 1.584 -4.758 -0.399 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.085 -7.678 0.143 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.047 -6.559 1.004 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.515 -6.509 -0.912 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.533 -7.589 -1.810 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.233 -9.335 -0.076 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.797 -8.255 0.842 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.330 -9.379 -1.930 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.196 -9.757 -0.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.537 -8.236 -1.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.767 -7.291 -0.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.236 -7.232 -2.001 1.00 0.00 H new ATOM 816 N LEU A 53 3.872 -4.427 0.612 1.00 0.00 N ATOM 817 CA LEU A 53 5.198 -4.216 1.205 1.00 0.00 C ATOM 818 C LEU A 53 5.384 -5.027 2.487 1.00 0.00 C ATOM 819 O LEU A 53 4.450 -5.172 3.278 1.00 0.00 O ATOM 820 CB LEU A 53 5.416 -2.728 1.503 1.00 0.00 C ATOM 821 CG LEU A 53 5.151 -1.764 0.336 1.00 0.00 C ATOM 822 CD1 LEU A 53 5.150 -0.327 0.838 1.00 0.00 C ATOM 823 CD2 LEU A 53 6.178 -1.944 -0.779 1.00 0.00 C ATOM 0 H LEU A 53 3.235 -3.636 0.710 1.00 0.00 H new ATOM 0 HA LEU A 53 5.936 -4.558 0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.771 -2.446 2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.445 -2.591 1.836 1.00 0.00 H new ATOM 0 HG LEU A 53 4.171 -1.995 -0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.961 0.349 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.369 -0.204 1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.119 -0.096 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.962 -1.247 -1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.177 -1.748 -0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.130 -2.965 -1.157 1.00 0.00 H new ATOM 835 N LYS A 54 6.606 -5.540 2.688 1.00 0.00 N ATOM 836 CA LYS A 54 6.930 -6.322 3.886 1.00 0.00 C ATOM 837 C LYS A 54 8.213 -5.814 4.541 1.00 0.00 C ATOM 838 O LYS A 54 9.036 -5.163 3.893 1.00 0.00 O ATOM 839 CB LYS A 54 7.057 -7.819 3.565 1.00 0.00 C ATOM 840 CG LYS A 54 8.014 -8.148 2.421 1.00 0.00 C ATOM 841 CD LYS A 54 9.020 -9.245 2.782 1.00 0.00 C ATOM 842 CE LYS A 54 8.362 -10.557 3.212 1.00 0.00 C ATOM 843 NZ LYS A 54 7.622 -11.207 2.098 1.00 0.00 N ATOM 0 H LYS A 54 7.383 -5.427 2.037 1.00 0.00 H new ATOM 0 HA LYS A 54 6.105 -6.194 4.587 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.391 -8.342 4.461 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.069 -8.209 3.318 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.438 -8.463 1.551 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.555 -7.246 2.136 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.663 -9.435 1.923 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.662 -8.888 3.588 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.126 -11.239 3.585 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.677 -10.364 4.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.622 -11.317 2.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.691 -10.617 1.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.034 -12.143 1.907 1.00 0.00 H new ATOM 857 N GLY A 55 8.367 -6.118 5.832 1.00 0.00 N ATOM 858 CA GLY A 55 9.541 -5.690 6.576 1.00 0.00 C ATOM 859 C GLY A 55 9.204 -4.654 7.630 1.00 0.00 C ATOM 860 O GLY A 55 8.679 -4.994 8.694 1.00 0.00 O ATOM 0 H GLY A 55 7.694 -6.657 6.377 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.002 -6.555 7.053 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.276 -5.277 5.885 1.00 0.00 H new ATOM 864 N ARG A 56 9.498 -3.389 7.328 1.00 0.00 N ATOM 865 CA ARG A 56 9.219 -2.287 8.247 1.00 0.00 C ATOM 866 C ARG A 56 7.820 -1.722 8.000 1.00 0.00 C ATOM 867 O ARG A 56 7.266 -1.021 8.849 1.00 0.00 O ATOM 868 CB ARG A 56 10.265 -1.168 8.105 1.00 0.00 C ATOM 869 CG ARG A 56 11.665 -1.541 8.592 1.00 0.00 C ATOM 870 CD ARG A 56 12.450 -2.340 7.555 1.00 0.00 C ATOM 871 NE ARG A 56 13.798 -2.691 8.019 1.00 0.00 N ATOM 872 CZ ARG A 56 14.809 -1.822 8.159 1.00 0.00 C ATOM 873 NH1 ARG A 56 14.663 -0.538 7.838 1.00 0.00 N ATOM 874 NH2 ARG A 56 15.980 -2.247 8.615 1.00 0.00 N ATOM 0 H ARG A 56 9.931 -3.102 6.450 1.00 0.00 H new ATOM 0 HA ARG A 56 9.270 -2.682 9.262 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.325 -0.876 7.057 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.922 -0.295 8.660 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.215 -0.633 8.838 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.584 -2.123 9.510 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.903 -3.252 7.313 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.525 -1.760 6.635 1.00 0.00 H new ATOM 0 HE ARG A 56 13.978 -3.668 8.252 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.770 -0.201 7.479 1.00 0.00 H new ATOM 0 HH12 ARG A 56 15.444 0.108 7.952 1.00 0.00 H new ATOM 0 HH21 ARG A 56 16.107 -3.230 8.857 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.753 -1.591 8.724 1.00 0.00 H new ATOM 888 N GLY A 57 7.259 -2.045 6.830 1.00 0.00 N ATOM 889 CA GLY A 57 5.930 -1.579 6.472 1.00 0.00 C ATOM 890 C GLY A 57 5.040 -2.711 5.998 1.00 0.00 C ATOM 891 O GLY A 57 4.567 -2.702 4.860 1.00 0.00 O ATOM 0 H GLY A 57 7.709 -2.626 6.122 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.472 -1.094 7.334 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.009 -0.827 5.687 1.00 0.00 H new ATOM 895 N ARG A 58 4.825 -3.689 6.882 1.00 0.00 N ATOM 896 CA ARG A 58 3.996 -4.859 6.580 1.00 0.00 C ATOM 897 C ARG A 58 2.517 -4.475 6.442 1.00 0.00 C ATOM 898 O ARG A 58 1.739 -5.185 5.799 1.00 0.00 O ATOM 899 CB ARG A 58 4.175 -5.916 7.687 1.00 0.00 C ATOM 900 CG ARG A 58 3.531 -7.264 7.398 1.00 0.00 C ATOM 901 CD ARG A 58 4.258 -8.027 6.292 1.00 0.00 C ATOM 902 NE ARG A 58 3.644 -9.330 6.011 1.00 0.00 N ATOM 903 CZ ARG A 58 2.463 -9.504 5.400 1.00 0.00 C ATOM 904 NH1 ARG A 58 1.760 -8.466 4.955 1.00 0.00 N ATOM 905 NH2 ARG A 58 1.992 -10.731 5.224 1.00 0.00 N ATOM 0 H ARG A 58 5.219 -3.693 7.823 1.00 0.00 H new ATOM 0 HA ARG A 58 4.319 -5.274 5.625 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.241 -6.068 7.855 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.759 -5.523 8.615 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.526 -7.864 8.308 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.491 -7.113 7.109 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.261 -7.427 5.382 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.299 -8.174 6.580 1.00 0.00 H new ATOM 0 HE ARG A 58 4.153 -10.165 6.302 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.117 -7.518 5.076 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.864 -8.618 4.493 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.527 -11.535 5.553 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.094 -10.871 4.760 1.00 0.00 H new ATOM 919 N LEU A 59 2.141 -3.345 7.045 1.00 0.00 N ATOM 920 CA LEU A 59 0.762 -2.861 6.993 1.00 0.00 C ATOM 921 C LEU A 59 0.543 -1.926 5.803 1.00 0.00 C ATOM 922 O LEU A 59 -0.569 -1.432 5.590 1.00 0.00 O ATOM 923 CB LEU A 59 0.404 -2.139 8.301 1.00 0.00 C ATOM 924 CG LEU A 59 0.475 -2.995 9.576 1.00 0.00 C ATOM 925 CD1 LEU A 59 0.350 -2.114 10.809 1.00 0.00 C ATOM 926 CD2 LEU A 59 -0.613 -4.064 9.579 1.00 0.00 C ATOM 0 H LEU A 59 2.775 -2.748 7.576 1.00 0.00 H new ATOM 0 HA LEU A 59 0.109 -3.725 6.868 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.074 -1.287 8.419 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.606 -1.740 8.209 1.00 0.00 H new ATOM 0 HG LEU A 59 1.443 -3.496 9.595 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.402 -2.733 11.705 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.163 -1.388 10.822 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.605 -1.589 10.786 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.540 -4.655 10.492 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.592 -3.587 9.533 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.486 -4.715 8.714 1.00 0.00 H new ATOM 938 N PHE A 60 1.608 -1.684 5.034 1.00 0.00 N ATOM 939 CA PHE A 60 1.531 -0.804 3.870 1.00 0.00 C ATOM 940 C PHE A 60 1.436 -1.602 2.572 1.00 0.00 C ATOM 941 O PHE A 60 2.273 -2.464 2.291 1.00 0.00 O ATOM 942 CB PHE A 60 2.741 0.143 3.819 1.00 0.00 C ATOM 943 CG PHE A 60 2.727 1.232 4.865 1.00 0.00 C ATOM 944 CD1 PHE A 60 3.020 0.956 6.196 1.00 0.00 C ATOM 945 CD2 PHE A 60 2.430 2.539 4.509 1.00 0.00 C ATOM 946 CE1 PHE A 60 3.012 1.960 7.145 1.00 0.00 C ATOM 947 CE2 PHE A 60 2.423 3.546 5.455 1.00 0.00 C ATOM 948 CZ PHE A 60 2.713 3.257 6.774 1.00 0.00 C ATOM 0 H PHE A 60 2.531 -2.085 5.198 1.00 0.00 H new ATOM 0 HA PHE A 60 0.623 -0.210 3.971 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.652 -0.444 3.936 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.784 0.604 2.832 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.257 -0.055 6.491 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.201 2.773 3.480 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.239 1.731 8.176 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.191 4.559 5.163 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.706 4.043 7.514 1.00 0.00 H new ATOM 958 N TRP A 61 0.406 -1.294 1.788 1.00 0.00 N ATOM 959 CA TRP A 61 0.164 -1.952 0.504 1.00 0.00 C ATOM 960 C TRP A 61 0.377 -0.969 -0.647 1.00 0.00 C ATOM 961 O TRP A 61 0.827 0.156 -0.424 1.00 0.00 O ATOM 962 CB TRP A 61 -1.266 -2.524 0.468 1.00 0.00 C ATOM 963 CG TRP A 61 -1.438 -3.864 1.152 1.00 0.00 C ATOM 964 CD1 TRP A 61 -0.538 -4.529 1.946 1.00 0.00 C ATOM 965 CD2 TRP A 61 -2.607 -4.695 1.107 1.00 0.00 C ATOM 966 NE1 TRP A 61 -1.069 -5.722 2.369 1.00 0.00 N ATOM 967 CE2 TRP A 61 -2.340 -5.844 1.877 1.00 0.00 C ATOM 968 CE3 TRP A 61 -3.856 -4.580 0.486 1.00 0.00 C ATOM 969 CZ2 TRP A 61 -3.271 -6.866 2.042 1.00 0.00 C ATOM 970 CZ3 TRP A 61 -4.777 -5.593 0.651 1.00 0.00 C ATOM 971 CH2 TRP A 61 -4.482 -6.723 1.423 1.00 0.00 C ATOM 0 H TRP A 61 -0.285 -0.582 2.024 1.00 0.00 H new ATOM 0 HA TRP A 61 0.873 -2.772 0.389 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.940 -1.806 0.935 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.576 -2.622 -0.572 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.447 -4.166 2.201 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -0.593 -6.407 2.956 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -4.094 -3.713 -0.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.045 -7.739 2.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.744 -5.513 0.176 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -5.226 -7.498 1.532 1.00 0.00 H new ATOM 982 N GLY A 62 0.058 -1.399 -1.871 1.00 0.00 N ATOM 983 CA GLY A 62 0.227 -0.541 -3.034 1.00 0.00 C ATOM 984 C GLY A 62 -0.511 -1.054 -4.253 1.00 0.00 C ATOM 985 O GLY A 62 -0.755 -2.255 -4.376 1.00 0.00 O ATOM 0 H GLY A 62 -0.314 -2.326 -2.075 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.128 0.461 -2.795 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.289 -0.456 -3.266 1.00 0.00 H new ATOM 989 N GLY A 63 -0.864 -0.132 -5.154 1.00 0.00 N ATOM 990 CA GLY A 63 -1.576 -0.496 -6.369 1.00 0.00 C ATOM 991 C GLY A 63 -2.078 0.717 -7.132 1.00 0.00 C ATOM 992 O GLY A 63 -1.473 1.791 -7.070 1.00 0.00 O ATOM 0 H GLY A 63 -0.667 0.864 -5.060 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.917 -1.079 -7.012 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.420 -1.136 -6.114 1.00 0.00 H new ATOM 996 N SER A 64 -3.190 0.538 -7.853 1.00 0.00 N ATOM 997 CA SER A 64 -3.790 1.617 -8.639 1.00 0.00 C ATOM 998 C SER A 64 -5.316 1.541 -8.587 1.00 0.00 C ATOM 999 O SER A 64 -5.887 0.452 -8.510 1.00 0.00 O ATOM 1000 CB SER A 64 -3.310 1.550 -10.092 1.00 0.00 C ATOM 1001 OG SER A 64 -3.862 2.603 -10.861 1.00 0.00 O ATOM 0 H SER A 64 -3.693 -0.348 -7.907 1.00 0.00 H new ATOM 0 HA SER A 64 -3.476 2.567 -8.207 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.222 1.606 -10.122 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.592 0.591 -10.527 1.00 0.00 H new ATOM 0 HG SER A 64 -4.389 2.229 -11.598 1.00 0.00 H new ATOM 1007 N VAL A 65 -5.963 2.708 -8.625 1.00 0.00 N ATOM 1008 CA VAL A 65 -7.425 2.794 -8.576 1.00 0.00 C ATOM 1009 C VAL A 65 -8.030 2.723 -9.977 1.00 0.00 C ATOM 1010 O VAL A 65 -7.593 3.430 -10.884 1.00 0.00 O ATOM 1011 CB VAL A 65 -7.891 4.114 -7.901 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -9.415 4.228 -7.882 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -7.334 4.222 -6.492 1.00 0.00 C ATOM 0 H VAL A 65 -5.494 3.612 -8.690 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.770 1.944 -7.987 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.502 4.941 -8.495 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.704 5.163 -7.403 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.794 4.212 -8.904 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.836 3.390 -7.326 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.672 5.153 -6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.685 3.379 -5.896 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.245 4.211 -6.530 1.00 0.00 H new ATOM 1023 N GLN A 66 -9.060 1.892 -10.135 1.00 0.00 N ATOM 1024 CA GLN A 66 -9.741 1.775 -11.413 1.00 0.00 C ATOM 1025 C GLN A 66 -10.915 2.767 -11.462 1.00 0.00 C ATOM 1026 O GLN A 66 -10.752 3.880 -11.964 1.00 0.00 O ATOM 1027 CB GLN A 66 -10.205 0.330 -11.669 1.00 0.00 C ATOM 1028 CG GLN A 66 -10.964 0.170 -12.979 1.00 0.00 C ATOM 1029 CD GLN A 66 -11.430 -1.247 -13.233 1.00 0.00 C ATOM 1030 OE1 GLN A 66 -10.624 -2.164 -13.381 1.00 0.00 O ATOM 1031 NE2 GLN A 66 -12.744 -1.428 -13.290 1.00 0.00 N ATOM 0 H GLN A 66 -9.435 1.296 -9.397 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.042 2.025 -12.212 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.336 -0.328 -11.677 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.842 0.008 -10.845 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -11.829 0.834 -12.973 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.324 0.488 -13.802 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -13.374 -0.636 -13.161 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.124 -2.359 -13.463 1.00 0.00 H new ATOM 1040 N GLY A 67 -12.083 2.364 -10.928 1.00 0.00 N ATOM 1041 CA GLY A 67 -13.257 3.229 -10.919 1.00 0.00 C ATOM 1042 C GLY A 67 -13.928 3.310 -12.278 1.00 0.00 C ATOM 1043 O GLY A 67 -14.990 2.721 -12.495 1.00 0.00 O ATOM 0 H GLY A 67 -12.230 1.449 -10.502 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.973 2.858 -10.185 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.965 4.230 -10.601 1.00 0.00 H new ATOM 1047 N ASP A 68 -13.288 4.039 -13.188 1.00 0.00 N ATOM 1048 CA ASP A 68 -13.781 4.221 -14.548 1.00 0.00 C ATOM 1049 C ASP A 68 -12.672 3.862 -15.539 1.00 0.00 C ATOM 1050 O ASP A 68 -12.939 3.517 -16.692 1.00 0.00 O ATOM 1051 CB ASP A 68 -14.240 5.670 -14.740 1.00 0.00 C ATOM 1052 CG ASP A 68 -15.148 5.858 -15.947 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -14.682 5.655 -17.087 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -16.330 6.207 -15.746 1.00 0.00 O ATOM 0 H ASP A 68 -12.409 4.522 -13.001 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.634 3.566 -14.726 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.766 5.999 -13.844 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -13.364 6.310 -14.849 1.00 0.00 H new ATOM 1059 N TYR A 69 -11.430 3.934 -15.033 1.00 0.00 N ATOM 1060 CA TYR A 69 -10.198 3.614 -15.778 1.00 0.00 C ATOM 1061 C TYR A 69 -9.917 4.604 -16.919 1.00 0.00 C ATOM 1062 O TYR A 69 -9.069 5.484 -16.767 1.00 0.00 O ATOM 1063 CB TYR A 69 -10.224 2.161 -16.301 1.00 0.00 C ATOM 1064 CG TYR A 69 -8.867 1.621 -16.716 1.00 0.00 C ATOM 1065 CD1 TYR A 69 -7.800 1.605 -15.824 1.00 0.00 C ATOM 1066 CD2 TYR A 69 -8.657 1.122 -17.996 1.00 0.00 C ATOM 1067 CE1 TYR A 69 -6.567 1.113 -16.194 1.00 0.00 C ATOM 1068 CE2 TYR A 69 -7.423 0.625 -18.374 1.00 0.00 C ATOM 1069 CZ TYR A 69 -6.382 0.623 -17.469 1.00 0.00 C ATOM 1070 OH TYR A 69 -5.153 0.129 -17.841 1.00 0.00 O ATOM 0 H TYR A 69 -11.249 4.223 -14.072 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.375 3.712 -15.070 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -10.637 1.516 -15.526 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.900 2.107 -17.154 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.940 1.985 -14.823 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.470 1.122 -18.707 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.749 1.111 -15.488 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.275 0.241 -19.372 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.192 -0.178 -18.771 1.00 0.00 H new ATOM 1080 N TYR A 70 -10.623 4.431 -18.054 1.00 0.00 N ATOM 1081 CA TYR A 70 -10.486 5.265 -19.274 1.00 0.00 C ATOM 1082 C TYR A 70 -9.022 5.535 -19.689 1.00 0.00 C ATOM 1083 O TYR A 70 -8.732 6.530 -20.363 1.00 0.00 O ATOM 1084 CB TYR A 70 -11.325 6.578 -19.197 1.00 0.00 C ATOM 1085 CG TYR A 70 -11.037 7.530 -18.039 1.00 0.00 C ATOM 1086 CD1 TYR A 70 -9.936 8.383 -18.051 1.00 0.00 C ATOM 1087 CD2 TYR A 70 -11.881 7.575 -16.937 1.00 0.00 C ATOM 1088 CE1 TYR A 70 -9.690 9.247 -17.000 1.00 0.00 C ATOM 1089 CE2 TYR A 70 -11.640 8.436 -15.884 1.00 0.00 C ATOM 1090 CZ TYR A 70 -10.543 9.269 -15.919 1.00 0.00 C ATOM 1091 OH TYR A 70 -10.301 10.129 -14.873 1.00 0.00 O ATOM 0 H TYR A 70 -11.320 3.693 -18.155 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.908 4.660 -20.076 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.179 7.126 -20.128 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.379 6.302 -19.152 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.263 8.369 -18.896 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -12.742 6.924 -16.903 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -8.832 9.902 -17.027 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -12.309 8.456 -15.036 1.00 0.00 H new ATOM 0 HH TYR A 70 -10.997 10.020 -14.192 1.00 0.00 H new ATOM 1101 N GLY A 71 -8.115 4.623 -19.315 1.00 0.00 N ATOM 1102 CA GLY A 71 -6.708 4.756 -19.680 1.00 0.00 C ATOM 1103 C GLY A 71 -5.883 5.529 -18.677 1.00 0.00 C ATOM 1104 O GLY A 71 -4.947 4.987 -18.083 1.00 0.00 O ATOM 0 H GLY A 71 -8.333 3.793 -18.764 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.278 3.761 -19.799 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.640 5.250 -20.649 1.00 0.00 H new ATOM 1108 N ASP A 72 -6.220 6.807 -18.515 1.00 0.00 N ATOM 1109 CA ASP A 72 -5.506 7.701 -17.605 1.00 0.00 C ATOM 1110 C ASP A 72 -5.682 7.274 -16.144 1.00 0.00 C ATOM 1111 O ASP A 72 -6.526 6.429 -15.836 1.00 0.00 O ATOM 1112 CB ASP A 72 -6.005 9.140 -17.812 1.00 0.00 C ATOM 1113 CG ASP A 72 -5.110 10.185 -17.170 1.00 0.00 C ATOM 1114 OD1 ASP A 72 -3.923 10.271 -17.555 1.00 0.00 O ATOM 1115 OD2 ASP A 72 -5.596 10.919 -16.284 1.00 0.00 O ATOM 0 H ASP A 72 -6.994 7.251 -19.009 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.441 7.648 -17.830 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -6.078 9.341 -18.881 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.010 9.231 -17.401 1.00 0.00 H new ATOM 1120 N LEU A 73 -4.851 7.879 -15.273 1.00 0.00 N ATOM 1121 CA LEU A 73 -4.820 7.639 -13.810 1.00 0.00 C ATOM 1122 C LEU A 73 -3.939 6.436 -13.467 1.00 0.00 C ATOM 1123 O LEU A 73 -3.109 6.518 -12.557 1.00 0.00 O ATOM 1124 CB LEU A 73 -6.250 7.493 -13.203 1.00 0.00 C ATOM 1125 CG LEU A 73 -6.392 7.487 -11.656 1.00 0.00 C ATOM 1126 CD1 LEU A 73 -6.018 6.133 -11.065 1.00 0.00 C ATOM 1127 CD2 LEU A 73 -5.585 8.610 -11.008 1.00 0.00 C ATOM 0 H LEU A 73 -4.162 8.569 -15.573 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.375 8.522 -13.351 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.861 8.308 -13.591 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.679 6.565 -13.581 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.443 7.668 -11.433 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.129 6.166 -9.981 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.673 5.364 -11.474 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.983 5.899 -11.317 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.711 8.571 -9.926 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.530 8.489 -11.255 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.937 9.572 -11.380 1.00 0.00 H new ATOM 1139 N ALA A 74 -4.115 5.327 -14.187 1.00 0.00 N ATOM 1140 CA ALA A 74 -3.326 4.119 -13.939 1.00 0.00 C ATOM 1141 C ALA A 74 -2.020 4.122 -14.743 1.00 0.00 C ATOM 1142 O ALA A 74 -1.591 3.088 -15.266 1.00 0.00 O ATOM 1143 CB ALA A 74 -4.152 2.879 -14.244 1.00 0.00 C ATOM 0 H ALA A 74 -4.794 5.240 -14.943 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.054 4.105 -12.884 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.554 1.988 -14.055 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.036 2.864 -13.606 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.460 2.895 -15.290 1.00 0.00 H new ATOM 1149 N ALA A 75 -1.387 5.294 -14.819 1.00 0.00 N ATOM 1150 CA ALA A 75 -0.125 5.455 -15.534 1.00 0.00 C ATOM 1151 C ALA A 75 1.056 5.239 -14.594 1.00 0.00 C ATOM 1152 O ALA A 75 2.196 5.081 -15.038 1.00 0.00 O ATOM 1153 CB ALA A 75 -0.052 6.838 -16.161 1.00 0.00 C ATOM 0 H ALA A 75 -1.734 6.151 -14.389 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.077 4.706 -16.324 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.894 6.947 -16.692 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.878 6.964 -16.861 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.119 7.596 -15.380 1.00 0.00 H new ATOM 1159 N ARG A 76 0.766 5.239 -13.291 1.00 0.00 N ATOM 1160 CA ARG A 76 1.786 5.048 -12.264 1.00 0.00 C ATOM 1161 C ARG A 76 1.235 4.213 -11.109 1.00 0.00 C ATOM 1162 O ARG A 76 0.025 3.983 -11.021 1.00 0.00 O ATOM 1163 CB ARG A 76 2.309 6.406 -11.746 1.00 0.00 C ATOM 1164 CG ARG A 76 1.280 7.258 -10.993 1.00 0.00 C ATOM 1165 CD ARG A 76 0.361 8.044 -11.927 1.00 0.00 C ATOM 1166 NE ARG A 76 1.093 8.998 -12.771 1.00 0.00 N ATOM 1167 CZ ARG A 76 1.660 10.130 -12.331 1.00 0.00 C ATOM 1168 NH1 ARG A 76 1.561 10.498 -11.056 1.00 0.00 N ATOM 1169 NH2 ARG A 76 2.321 10.904 -13.181 1.00 0.00 N ATOM 0 H ARG A 76 -0.176 5.371 -12.923 1.00 0.00 H new ATOM 0 HA ARG A 76 2.621 4.511 -12.713 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.157 6.223 -11.087 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.682 6.981 -12.594 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.676 6.611 -10.357 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.803 7.953 -10.336 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.186 7.348 -12.563 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.378 8.582 -11.334 1.00 0.00 H new ATOM 0 HE ARG A 76 1.176 8.783 -13.765 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.047 9.915 -10.395 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.999 11.363 -10.739 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.395 10.636 -14.162 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.755 11.767 -12.853 1.00 0.00 H new ATOM 1183 N LEU A 77 2.130 3.767 -10.228 1.00 0.00 N ATOM 1184 CA LEU A 77 1.745 2.960 -9.073 1.00 0.00 C ATOM 1185 C LEU A 77 2.032 3.692 -7.769 1.00 0.00 C ATOM 1186 O LEU A 77 3.143 4.186 -7.553 1.00 0.00 O ATOM 1187 CB LEU A 77 2.474 1.612 -9.099 1.00 0.00 C ATOM 1188 CG LEU A 77 1.923 0.595 -10.105 1.00 0.00 C ATOM 1189 CD1 LEU A 77 2.951 -0.487 -10.387 1.00 0.00 C ATOM 1190 CD2 LEU A 77 0.638 -0.031 -9.579 1.00 0.00 C ATOM 0 H LEU A 77 3.131 3.953 -10.294 1.00 0.00 H new ATOM 0 HA LEU A 77 0.671 2.782 -9.129 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.526 1.789 -9.324 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.431 1.174 -8.102 1.00 0.00 H new ATOM 0 HG LEU A 77 1.704 1.119 -11.035 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.542 -1.200 -11.103 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.852 -0.034 -10.800 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.198 -1.005 -9.460 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.260 -0.751 -10.305 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.840 -0.539 -8.636 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.107 0.748 -9.419 1.00 0.00 H new ATOM 1202 N GLY A 78 1.018 3.753 -6.903 1.00 0.00 N ATOM 1203 CA GLY A 78 1.161 4.420 -5.620 1.00 0.00 C ATOM 1204 C GLY A 78 1.065 3.449 -4.462 1.00 0.00 C ATOM 1205 O GLY A 78 0.975 2.239 -4.674 1.00 0.00 O ATOM 0 H GLY A 78 0.097 3.349 -7.071 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.122 4.934 -5.584 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.388 5.182 -5.519 1.00 0.00 H new ATOM 1209 N TYR A 79 1.085 3.979 -3.238 1.00 0.00 N ATOM 1210 CA TYR A 79 0.997 3.150 -2.037 1.00 0.00 C ATOM 1211 C TYR A 79 -0.076 3.683 -1.092 1.00 0.00 C ATOM 1212 O TYR A 79 -0.292 4.895 -1.001 1.00 0.00 O ATOM 1213 CB TYR A 79 2.356 3.068 -1.319 1.00 0.00 C ATOM 1214 CG TYR A 79 3.465 2.464 -2.165 1.00 0.00 C ATOM 1215 CD1 TYR A 79 3.514 1.096 -2.416 1.00 0.00 C ATOM 1216 CD2 TYR A 79 4.453 3.264 -2.725 1.00 0.00 C ATOM 1217 CE1 TYR A 79 4.513 0.547 -3.197 1.00 0.00 C ATOM 1218 CE2 TYR A 79 5.455 2.723 -3.507 1.00 0.00 C ATOM 1219 CZ TYR A 79 5.482 1.364 -3.740 1.00 0.00 C ATOM 1220 OH TYR A 79 6.478 0.821 -4.517 1.00 0.00 O ATOM 0 H TYR A 79 1.161 4.979 -3.053 1.00 0.00 H new ATOM 0 HA TYR A 79 0.717 2.143 -2.345 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.653 4.070 -1.010 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.241 2.475 -0.412 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.758 0.452 -1.993 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.437 4.329 -2.546 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.535 -0.517 -3.381 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.214 3.362 -3.934 1.00 0.00 H new ATOM 0 HH TYR A 79 7.079 1.532 -4.823 1.00 0.00 H new ATOM 1230 N PHE A 80 -0.758 2.761 -0.410 1.00 0.00 N ATOM 1231 CA PHE A 80 -1.834 3.107 0.519 1.00 0.00 C ATOM 1232 C PHE A 80 -1.904 2.101 1.682 1.00 0.00 C ATOM 1233 O PHE A 80 -1.543 0.937 1.500 1.00 0.00 O ATOM 1234 CB PHE A 80 -3.182 3.158 -0.239 1.00 0.00 C ATOM 1235 CG PHE A 80 -3.511 1.912 -1.040 1.00 0.00 C ATOM 1236 CD1 PHE A 80 -4.109 0.809 -0.440 1.00 0.00 C ATOM 1237 CD2 PHE A 80 -3.213 1.847 -2.393 1.00 0.00 C ATOM 1238 CE1 PHE A 80 -4.400 -0.325 -1.171 1.00 0.00 C ATOM 1239 CE2 PHE A 80 -3.504 0.715 -3.128 1.00 0.00 C ATOM 1240 CZ PHE A 80 -4.097 -0.373 -2.517 1.00 0.00 C ATOM 0 H PHE A 80 -0.581 1.759 -0.486 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.626 4.090 0.942 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -3.981 3.331 0.482 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -3.171 4.014 -0.914 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.349 0.840 0.613 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.747 2.692 -2.878 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.864 -1.174 -0.691 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.268 0.680 -4.181 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.323 -1.259 -3.091 1.00 0.00 H new ATOM 1250 N PRO A 81 -2.375 2.517 2.895 1.00 0.00 N ATOM 1251 CA PRO A 81 -2.483 1.609 4.047 1.00 0.00 C ATOM 1252 C PRO A 81 -3.614 0.601 3.859 1.00 0.00 C ATOM 1253 O PRO A 81 -4.696 0.955 3.391 1.00 0.00 O ATOM 1254 CB PRO A 81 -2.788 2.540 5.233 1.00 0.00 C ATOM 1255 CG PRO A 81 -2.574 3.928 4.724 1.00 0.00 C ATOM 1256 CD PRO A 81 -2.838 3.871 3.250 1.00 0.00 C ATOM 0 HA PRO A 81 -1.577 1.020 4.189 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.811 2.405 5.583 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.132 2.327 6.077 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.247 4.632 5.214 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.557 4.266 4.926 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -3.894 4.012 3.021 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.289 4.642 2.709 1.00 0.00 H new ATOM 1264 N SER A 82 -3.359 -0.657 4.222 1.00 0.00 N ATOM 1265 CA SER A 82 -4.356 -1.725 4.088 1.00 0.00 C ATOM 1266 C SER A 82 -5.570 -1.483 4.995 1.00 0.00 C ATOM 1267 O SER A 82 -6.642 -2.056 4.780 1.00 0.00 O ATOM 1268 CB SER A 82 -3.716 -3.077 4.416 1.00 0.00 C ATOM 1269 OG SER A 82 -3.278 -3.123 5.763 1.00 0.00 O ATOM 0 H SER A 82 -2.468 -0.964 4.613 1.00 0.00 H new ATOM 0 HA SER A 82 -4.708 -1.728 3.057 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.436 -3.876 4.237 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.872 -3.254 3.750 1.00 0.00 H new ATOM 0 HG SER A 82 -2.443 -2.618 5.853 1.00 0.00 H new ATOM 1275 N SER A 83 -5.385 -0.633 6.009 1.00 0.00 N ATOM 1276 CA SER A 83 -6.439 -0.308 6.969 1.00 0.00 C ATOM 1277 C SER A 83 -7.608 0.464 6.343 1.00 0.00 C ATOM 1278 O SER A 83 -8.699 0.492 6.920 1.00 0.00 O ATOM 1279 CB SER A 83 -5.855 0.501 8.129 1.00 0.00 C ATOM 1280 OG SER A 83 -5.270 1.706 7.670 1.00 0.00 O ATOM 0 H SER A 83 -4.502 -0.153 6.186 1.00 0.00 H new ATOM 0 HA SER A 83 -6.838 -1.257 7.328 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.641 0.727 8.850 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.106 -0.095 8.650 1.00 0.00 H new ATOM 0 HG SER A 83 -4.906 2.204 8.432 1.00 0.00 H new ATOM 1286 N ILE A 84 -7.393 1.094 5.179 1.00 0.00 N ATOM 1287 CA ILE A 84 -8.470 1.859 4.534 1.00 0.00 C ATOM 1288 C ILE A 84 -9.214 1.049 3.471 1.00 0.00 C ATOM 1289 O ILE A 84 -10.157 1.560 2.862 1.00 0.00 O ATOM 1290 CB ILE A 84 -7.981 3.182 3.904 1.00 0.00 C ATOM 1291 CG1 ILE A 84 -6.972 2.931 2.781 1.00 0.00 C ATOM 1292 CG2 ILE A 84 -7.389 4.088 4.975 1.00 0.00 C ATOM 1293 CD1 ILE A 84 -6.775 4.124 1.879 1.00 0.00 C ATOM 0 H ILE A 84 -6.506 1.091 4.675 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.158 2.096 5.346 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.842 3.682 3.460 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.013 2.653 3.219 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.307 2.084 2.183 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.048 5.017 4.518 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.149 4.310 5.725 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.546 3.587 5.450 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.048 3.879 1.105 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.724 4.389 1.414 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.410 4.967 2.465 1.00 0.00 H new ATOM 1305 N VAL A 85 -8.799 -0.201 3.238 1.00 0.00 N ATOM 1306 CA VAL A 85 -9.464 -1.030 2.229 1.00 0.00 C ATOM 1307 C VAL A 85 -10.065 -2.299 2.826 1.00 0.00 C ATOM 1308 O VAL A 85 -9.662 -2.749 3.903 1.00 0.00 O ATOM 1309 CB VAL A 85 -8.518 -1.406 1.057 1.00 0.00 C ATOM 1310 CG1 VAL A 85 -8.030 -0.158 0.333 1.00 0.00 C ATOM 1311 CG2 VAL A 85 -7.336 -2.245 1.535 1.00 0.00 C ATOM 0 H VAL A 85 -8.023 -0.652 3.723 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.274 -0.415 1.836 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.092 -2.012 0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.369 -0.447 -0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.884 0.388 -0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.487 0.479 1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.696 -2.489 0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.763 -1.681 2.271 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.703 -3.165 1.989 1.00 0.00 H new ATOM 1321 N ARG A 86 -11.028 -2.865 2.101 1.00 0.00 N ATOM 1322 CA ARG A 86 -11.709 -4.086 2.512 1.00 0.00 C ATOM 1323 C ARG A 86 -11.616 -5.127 1.399 1.00 0.00 C ATOM 1324 O ARG A 86 -12.232 -4.973 0.338 1.00 0.00 O ATOM 1325 CB ARG A 86 -13.176 -3.787 2.850 1.00 0.00 C ATOM 1326 CG ARG A 86 -13.948 -4.987 3.383 1.00 0.00 C ATOM 1327 CD ARG A 86 -15.394 -4.628 3.695 1.00 0.00 C ATOM 1328 NE ARG A 86 -16.162 -5.772 4.201 1.00 0.00 N ATOM 1329 CZ ARG A 86 -16.005 -6.324 5.412 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -15.133 -5.827 6.287 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -16.737 -7.376 5.753 1.00 0.00 N ATOM 0 H ARG A 86 -11.357 -2.488 1.212 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.226 -4.482 3.405 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.212 -2.988 3.590 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -13.675 -3.415 1.955 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -13.923 -5.792 2.649 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.463 -5.362 4.284 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -15.414 -3.826 4.433 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -15.872 -4.244 2.794 1.00 0.00 H new ATOM 0 HE ARG A 86 -16.867 -6.177 3.585 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.571 -5.013 6.040 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -15.027 -6.261 7.204 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -17.415 -7.761 5.095 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -16.622 -7.801 6.673 1.00 0.00 H new ATOM 1345 N GLU A 87 -10.833 -6.176 1.650 1.00 0.00 N ATOM 1346 CA GLU A 87 -10.638 -7.248 0.676 1.00 0.00 C ATOM 1347 C GLU A 87 -11.827 -8.199 0.692 1.00 0.00 C ATOM 1348 O GLU A 87 -12.259 -8.643 1.760 1.00 0.00 O ATOM 1349 CB GLU A 87 -9.344 -8.020 0.965 1.00 0.00 C ATOM 1350 CG GLU A 87 -8.104 -7.148 1.049 1.00 0.00 C ATOM 1351 CD GLU A 87 -7.909 -6.533 2.424 1.00 0.00 C ATOM 1352 OE1 GLU A 87 -7.729 -7.296 3.397 1.00 0.00 O ATOM 1353 OE2 GLU A 87 -7.941 -5.291 2.529 1.00 0.00 O ATOM 0 H GLU A 87 -10.322 -6.306 2.523 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.557 -6.797 -0.313 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.459 -8.560 1.905 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.197 -8.766 0.184 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.228 -7.745 0.795 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.174 -6.353 0.307 1.00 0.00 H new ATOM 1360 N ASP A 88 -12.358 -8.498 -0.494 1.00 0.00 N ATOM 1361 CA ASP A 88 -13.508 -9.389 -0.610 1.00 0.00 C ATOM 1362 C ASP A 88 -13.284 -10.490 -1.645 1.00 0.00 C ATOM 1363 O ASP A 88 -13.816 -11.593 -1.495 1.00 0.00 O ATOM 1364 CB ASP A 88 -14.776 -8.585 -0.942 1.00 0.00 C ATOM 1365 CG ASP A 88 -14.605 -7.655 -2.133 1.00 0.00 C ATOM 1366 OD1 ASP A 88 -14.448 -8.153 -3.267 1.00 0.00 O ATOM 1367 OD2 ASP A 88 -14.629 -6.423 -1.927 1.00 0.00 O ATOM 0 H ASP A 88 -12.011 -8.137 -1.383 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.638 -9.878 0.355 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.594 -9.277 -1.145 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.064 -7.998 -0.070 1.00 0.00 H new ATOM 1372 N GLN A 89 -12.514 -10.193 -2.699 1.00 0.00 N ATOM 1373 CA GLN A 89 -12.262 -11.186 -3.749 1.00 0.00 C ATOM 1374 C GLN A 89 -10.822 -11.117 -4.268 1.00 0.00 C ATOM 1375 O GLN A 89 -10.278 -10.032 -4.461 1.00 0.00 O ATOM 1376 CB GLN A 89 -13.255 -10.966 -4.899 1.00 0.00 C ATOM 1377 CG GLN A 89 -13.672 -12.240 -5.626 1.00 0.00 C ATOM 1378 CD GLN A 89 -12.587 -12.808 -6.519 1.00 0.00 C ATOM 1379 OE1 GLN A 89 -12.146 -12.161 -7.468 1.00 0.00 O ATOM 1380 NE2 GLN A 89 -12.150 -14.025 -6.219 1.00 0.00 N ATOM 0 H GLN A 89 -12.062 -9.290 -2.846 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.401 -12.179 -3.322 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -14.147 -10.479 -4.504 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.810 -10.280 -5.620 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.957 -12.992 -4.890 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -14.556 -12.032 -6.229 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -12.544 -14.526 -5.423 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.421 -14.459 -6.785 1.00 0.00 H new ATOM 1389 N THR A 90 -10.226 -12.295 -4.507 1.00 0.00 N ATOM 1390 CA THR A 90 -8.856 -12.397 -5.030 1.00 0.00 C ATOM 1391 C THR A 90 -8.903 -12.670 -6.534 1.00 0.00 C ATOM 1392 O THR A 90 -9.547 -13.620 -6.977 1.00 0.00 O ATOM 1393 CB THR A 90 -8.091 -13.518 -4.306 1.00 0.00 C ATOM 1394 OG1 THR A 90 -8.134 -13.328 -2.904 1.00 0.00 O ATOM 1395 CG2 THR A 90 -6.629 -13.629 -4.703 1.00 0.00 C ATOM 0 H THR A 90 -10.676 -13.196 -4.345 1.00 0.00 H new ATOM 0 HA THR A 90 -8.334 -11.457 -4.854 1.00 0.00 H new ATOM 0 HB THR A 90 -8.596 -14.436 -4.606 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.644 -14.052 -2.461 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.162 -14.442 -4.148 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.556 -13.831 -5.772 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.118 -12.694 -4.475 1.00 0.00 H new ATOM 1403 N LEU A 91 -8.235 -11.827 -7.315 1.00 0.00 N ATOM 1404 CA LEU A 91 -8.231 -11.970 -8.772 1.00 0.00 C ATOM 1405 C LEU A 91 -7.130 -12.914 -9.240 1.00 0.00 C ATOM 1406 O LEU A 91 -7.244 -13.521 -10.308 1.00 0.00 O ATOM 1407 CB LEU A 91 -8.049 -10.594 -9.428 1.00 0.00 C ATOM 1408 CG LEU A 91 -8.945 -9.470 -8.879 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -8.549 -8.136 -9.485 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -10.420 -9.754 -9.140 1.00 0.00 C ATOM 0 H LEU A 91 -7.690 -11.038 -6.967 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.188 -12.398 -9.070 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.008 -10.292 -9.314 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.237 -10.694 -10.497 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.800 -9.426 -7.800 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.192 -7.351 -9.087 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.511 -7.917 -9.235 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.660 -8.181 -10.568 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -11.024 -8.940 -8.739 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.590 -9.837 -10.213 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.702 -10.688 -8.654 1.00 0.00 H new ATOM 1422 N LYS A 92 -6.079 -13.042 -8.425 1.00 0.00 N ATOM 1423 CA LYS A 92 -4.943 -13.925 -8.729 1.00 0.00 C ATOM 1424 C LYS A 92 -4.011 -14.027 -7.508 1.00 0.00 C ATOM 1425 O LYS A 92 -3.660 -13.004 -6.925 1.00 0.00 O ATOM 1426 CB LYS A 92 -4.165 -13.419 -9.963 1.00 0.00 C ATOM 1427 CG LYS A 92 -3.236 -14.477 -10.563 1.00 0.00 C ATOM 1428 CD LYS A 92 -3.015 -14.316 -12.070 1.00 0.00 C ATOM 1429 CE LYS A 92 -4.196 -14.815 -12.900 1.00 0.00 C ATOM 1430 NZ LYS A 92 -5.378 -13.910 -12.823 1.00 0.00 N ATOM 0 H LYS A 92 -5.989 -12.541 -7.541 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.331 -14.917 -8.960 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.874 -13.094 -10.724 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.577 -12.546 -9.681 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.272 -14.431 -10.056 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.652 -15.466 -10.369 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.837 -13.265 -12.296 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.117 -14.861 -12.361 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -3.887 -14.914 -13.941 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.482 -15.809 -12.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.935 -13.991 -13.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -5.969 -14.179 -12.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -5.056 -12.928 -12.708 1.00 0.00 H new ATOM 1444 N PRO A 93 -3.609 -15.264 -7.083 1.00 0.00 N ATOM 1445 CA PRO A 93 -2.730 -15.469 -5.911 1.00 0.00 C ATOM 1446 C PRO A 93 -1.414 -14.694 -5.973 1.00 0.00 C ATOM 1447 O PRO A 93 -0.719 -14.705 -6.993 1.00 0.00 O ATOM 1448 CB PRO A 93 -2.444 -16.970 -5.964 1.00 0.00 C ATOM 1449 CG PRO A 93 -3.648 -17.542 -6.602 1.00 0.00 C ATOM 1450 CD PRO A 93 -3.984 -16.568 -7.683 1.00 0.00 C ATOM 0 HA PRO A 93 -3.208 -15.115 -4.998 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.546 -17.185 -6.543 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.287 -17.382 -4.967 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.451 -18.535 -7.007 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.466 -17.645 -5.889 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.423 -16.769 -8.596 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.042 -16.603 -7.944 1.00 0.00 H new ATOM 1458 N GLY A 94 -1.075 -14.046 -4.854 1.00 0.00 N ATOM 1459 CA GLY A 94 0.164 -13.291 -4.759 1.00 0.00 C ATOM 1460 C GLY A 94 1.194 -14.045 -3.948 1.00 0.00 C ATOM 1461 O GLY A 94 1.289 -13.872 -2.731 1.00 0.00 O ATOM 0 H GLY A 94 -1.644 -14.033 -4.007 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.553 -13.096 -5.758 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.030 -12.322 -4.298 1.00 0.00 H new ATOM 1465 N LYS A 95 1.939 -14.909 -4.629 1.00 0.00 N ATOM 1466 CA LYS A 95 2.953 -15.743 -3.985 1.00 0.00 C ATOM 1467 C LYS A 95 4.343 -15.561 -4.609 1.00 0.00 C ATOM 1468 O LYS A 95 5.175 -16.474 -4.573 1.00 0.00 O ATOM 1469 CB LYS A 95 2.515 -17.210 -4.044 1.00 0.00 C ATOM 1470 CG LYS A 95 1.959 -17.618 -5.395 1.00 0.00 C ATOM 1471 CD LYS A 95 1.495 -19.062 -5.398 1.00 0.00 C ATOM 1472 CE LYS A 95 0.996 -19.490 -6.770 1.00 0.00 C ATOM 1473 NZ LYS A 95 2.068 -19.425 -7.802 1.00 0.00 N ATOM 0 H LYS A 95 1.860 -15.052 -5.636 1.00 0.00 H new ATOM 0 HA LYS A 95 3.039 -15.428 -2.945 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.367 -17.846 -3.803 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.758 -17.387 -3.279 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.125 -16.967 -5.657 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.723 -17.480 -6.160 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.317 -19.709 -5.092 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.699 -19.190 -4.665 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.609 -20.508 -6.713 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.166 -18.850 -7.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.770 -19.954 -8.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 2.242 -18.433 -8.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.941 -19.843 -7.422 1.00 0.00 H new ATOM 1487 N VAL A 96 4.592 -14.374 -5.169 1.00 0.00 N ATOM 1488 CA VAL A 96 5.884 -14.066 -5.790 1.00 0.00 C ATOM 1489 C VAL A 96 6.563 -12.912 -5.042 1.00 0.00 C ATOM 1490 O VAL A 96 5.901 -11.958 -4.640 1.00 0.00 O ATOM 1491 CB VAL A 96 5.718 -13.702 -7.291 1.00 0.00 C ATOM 1492 CG1 VAL A 96 7.069 -13.515 -7.973 1.00 0.00 C ATOM 1493 CG2 VAL A 96 4.903 -14.769 -8.016 1.00 0.00 C ATOM 0 H VAL A 96 3.916 -13.611 -5.205 1.00 0.00 H new ATOM 0 HA VAL A 96 6.509 -14.957 -5.727 1.00 0.00 H new ATOM 0 HB VAL A 96 5.182 -12.754 -7.342 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.915 -13.261 -9.022 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.616 -12.711 -7.482 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.643 -14.439 -7.904 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.798 -14.496 -9.066 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.412 -15.730 -7.940 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.916 -14.845 -7.560 1.00 0.00 H new ATOM 1503 N ASP A 97 7.883 -13.018 -4.846 1.00 0.00 N ATOM 1504 CA ASP A 97 8.645 -11.989 -4.133 1.00 0.00 C ATOM 1505 C ASP A 97 9.605 -11.261 -5.076 1.00 0.00 C ATOM 1506 O ASP A 97 10.483 -11.878 -5.685 1.00 0.00 O ATOM 1507 CB ASP A 97 9.425 -12.627 -2.972 1.00 0.00 C ATOM 1508 CG ASP A 97 10.048 -11.613 -2.019 1.00 0.00 C ATOM 1509 OD1 ASP A 97 9.796 -10.397 -2.175 1.00 0.00 O ATOM 1510 OD2 ASP A 97 10.782 -12.041 -1.104 1.00 0.00 O ATOM 0 H ASP A 97 8.444 -13.805 -5.171 1.00 0.00 H new ATOM 0 HA ASP A 97 7.942 -11.256 -3.736 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.754 -13.276 -2.409 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.213 -13.260 -3.380 1.00 0.00 H new ATOM 1515 N VAL A 98 9.427 -9.939 -5.181 1.00 0.00 N ATOM 1516 CA VAL A 98 10.270 -9.099 -6.039 1.00 0.00 C ATOM 1517 C VAL A 98 10.912 -7.978 -5.214 1.00 0.00 C ATOM 1518 O VAL A 98 10.222 -7.269 -4.479 1.00 0.00 O ATOM 1519 CB VAL A 98 9.458 -8.470 -7.207 1.00 0.00 C ATOM 1520 CG1 VAL A 98 10.381 -7.766 -8.196 1.00 0.00 C ATOM 1521 CG2 VAL A 98 8.615 -9.520 -7.922 1.00 0.00 C ATOM 0 H VAL A 98 8.702 -9.426 -4.679 1.00 0.00 H new ATOM 0 HA VAL A 98 11.042 -9.741 -6.463 1.00 0.00 H new ATOM 0 HB VAL A 98 8.784 -7.729 -6.777 1.00 0.00 H new ATOM 0 HG11 VAL A 98 9.789 -7.335 -9.003 1.00 0.00 H new ATOM 0 HG12 VAL A 98 10.927 -6.974 -7.684 1.00 0.00 H new ATOM 0 HG13 VAL A 98 11.088 -8.485 -8.609 1.00 0.00 H new ATOM 0 HG21 VAL A 98 8.059 -9.050 -8.733 1.00 0.00 H new ATOM 0 HG22 VAL A 98 9.266 -10.294 -8.329 1.00 0.00 H new ATOM 0 HG23 VAL A 98 7.916 -9.968 -7.216 1.00 0.00 H new ATOM 1531 N LYS A 99 12.233 -7.824 -5.346 1.00 0.00 N ATOM 1532 CA LYS A 99 12.974 -6.788 -4.618 1.00 0.00 C ATOM 1533 C LYS A 99 12.811 -5.431 -5.308 1.00 0.00 C ATOM 1534 O LYS A 99 12.488 -5.374 -6.498 1.00 0.00 O ATOM 1535 CB LYS A 99 14.463 -7.146 -4.552 1.00 0.00 C ATOM 1536 CG LYS A 99 14.746 -8.517 -3.959 1.00 0.00 C ATOM 1537 CD LYS A 99 16.232 -8.878 -4.002 1.00 0.00 C ATOM 1538 CE LYS A 99 17.020 -8.270 -2.841 1.00 0.00 C ATOM 1539 NZ LYS A 99 17.150 -6.789 -2.949 1.00 0.00 N ATOM 0 H LYS A 99 12.813 -8.405 -5.952 1.00 0.00 H new ATOM 0 HA LYS A 99 12.571 -6.728 -3.607 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.881 -7.104 -5.558 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.981 -6.392 -3.960 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.399 -8.541 -2.926 1.00 0.00 H new ATOM 0 HG3 LYS A 99 14.177 -9.270 -4.504 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.339 -9.962 -3.980 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.658 -8.534 -4.945 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.527 -8.520 -1.902 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.014 -8.717 -2.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.083 -6.496 -2.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.051 -6.503 -3.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.407 -6.333 -2.382 1.00 0.00 H new ATOM 1553 N THR A 100 13.040 -4.341 -4.564 1.00 0.00 N ATOM 1554 CA THR A 100 12.919 -2.990 -5.125 1.00 0.00 C ATOM 1555 C THR A 100 14.286 -2.314 -5.236 1.00 0.00 C ATOM 1556 O THR A 100 15.237 -2.701 -4.554 1.00 0.00 O ATOM 1557 CB THR A 100 11.985 -2.123 -4.270 1.00 0.00 C ATOM 1558 OG1 THR A 100 12.534 -1.908 -2.982 1.00 0.00 O ATOM 1559 CG2 THR A 100 10.607 -2.718 -4.084 1.00 0.00 C ATOM 0 H THR A 100 13.308 -4.368 -3.580 1.00 0.00 H new ATOM 0 HA THR A 100 12.495 -3.090 -6.124 1.00 0.00 H new ATOM 0 HB THR A 100 11.886 -1.188 -4.821 1.00 0.00 H new ATOM 0 HG1 THR A 100 12.571 -2.758 -2.496 1.00 0.00 H new ATOM 0 HG21 THR A 100 10.002 -2.051 -3.470 1.00 0.00 H new ATOM 0 HG22 THR A 100 10.132 -2.846 -5.057 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.692 -3.687 -3.592 1.00 0.00 H new ATOM 1567 N ASP A 101 14.365 -1.296 -6.098 1.00 0.00 N ATOM 1568 CA ASP A 101 15.602 -0.542 -6.312 1.00 0.00 C ATOM 1569 C ASP A 101 15.385 0.949 -6.030 1.00 0.00 C ATOM 1570 O ASP A 101 14.312 1.344 -5.569 1.00 0.00 O ATOM 1571 CB ASP A 101 16.141 -0.769 -7.734 1.00 0.00 C ATOM 1572 CG ASP A 101 15.080 -0.629 -8.811 1.00 0.00 C ATOM 1573 OD1 ASP A 101 14.168 -1.481 -8.866 1.00 0.00 O ATOM 1574 OD2 ASP A 101 15.165 0.330 -9.602 1.00 0.00 O ATOM 0 H ASP A 101 13.579 -0.974 -6.663 1.00 0.00 H new ATOM 0 HA ASP A 101 16.352 -0.908 -5.611 1.00 0.00 H new ATOM 0 HB2 ASP A 101 16.942 -0.056 -7.929 1.00 0.00 H new ATOM 0 HB3 ASP A 101 16.579 -1.765 -7.794 1.00 0.00 H new ATOM 1579 N LYS A 102 16.418 1.765 -6.280 1.00 0.00 N ATOM 1580 CA LYS A 102 16.348 3.209 -6.020 1.00 0.00 C ATOM 1581 C LYS A 102 15.473 3.962 -7.031 1.00 0.00 C ATOM 1582 O LYS A 102 15.090 5.105 -6.779 1.00 0.00 O ATOM 1583 CB LYS A 102 17.765 3.817 -5.949 1.00 0.00 C ATOM 1584 CG LYS A 102 18.636 3.618 -7.194 1.00 0.00 C ATOM 1585 CD LYS A 102 18.474 4.738 -8.225 1.00 0.00 C ATOM 1586 CE LYS A 102 19.072 6.062 -7.760 1.00 0.00 C ATOM 1587 NZ LYS A 102 20.533 5.952 -7.489 1.00 0.00 N ATOM 0 H LYS A 102 17.310 1.450 -6.661 1.00 0.00 H new ATOM 0 HA LYS A 102 15.863 3.330 -5.051 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.673 4.886 -5.760 1.00 0.00 H new ATOM 0 HB3 LYS A 102 18.283 3.385 -5.093 1.00 0.00 H new ATOM 0 HG2 LYS A 102 19.682 3.558 -6.893 1.00 0.00 H new ATOM 0 HG3 LYS A 102 18.383 2.665 -7.659 1.00 0.00 H new ATOM 0 HD2 LYS A 102 18.950 4.438 -9.158 1.00 0.00 H new ATOM 0 HD3 LYS A 102 17.414 4.878 -8.438 1.00 0.00 H new ATOM 0 HE2 LYS A 102 18.901 6.824 -8.521 1.00 0.00 H new ATOM 0 HE3 LYS A 102 18.560 6.393 -6.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 20.947 6.904 -7.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 20.683 5.448 -6.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 20.991 5.427 -8.261 1.00 0.00 H new ATOM 1601 N TRP A 103 15.155 3.325 -8.163 1.00 0.00 N ATOM 1602 CA TRP A 103 14.317 3.962 -9.187 1.00 0.00 C ATOM 1603 C TRP A 103 12.831 3.816 -8.852 1.00 0.00 C ATOM 1604 O TRP A 103 11.972 4.335 -9.570 1.00 0.00 O ATOM 1605 CB TRP A 103 14.600 3.380 -10.579 1.00 0.00 C ATOM 1606 CG TRP A 103 16.005 3.611 -11.057 1.00 0.00 C ATOM 1607 CD1 TRP A 103 17.086 2.806 -10.841 1.00 0.00 C ATOM 1608 CD2 TRP A 103 16.482 4.729 -11.820 1.00 0.00 C ATOM 1609 NE1 TRP A 103 18.205 3.352 -11.421 1.00 0.00 N ATOM 1610 CE2 TRP A 103 17.861 4.532 -12.027 1.00 0.00 C ATOM 1611 CE3 TRP A 103 15.879 5.876 -12.348 1.00 0.00 C ATOM 1612 CZ2 TRP A 103 18.643 5.439 -12.738 1.00 0.00 C ATOM 1613 CZ3 TRP A 103 16.658 6.775 -13.053 1.00 0.00 C ATOM 1614 CH2 TRP A 103 18.027 6.551 -13.241 1.00 0.00 C ATOM 0 H TRP A 103 15.461 2.379 -8.393 1.00 0.00 H new ATOM 0 HA TRP A 103 14.569 5.022 -9.198 1.00 0.00 H new ATOM 0 HB2 TRP A 103 14.403 2.308 -10.561 1.00 0.00 H new ATOM 0 HB3 TRP A 103 13.905 3.820 -11.295 1.00 0.00 H new ATOM 0 HD1 TRP A 103 17.065 1.875 -10.294 1.00 0.00 H new ATOM 0 HE1 TRP A 103 19.140 2.945 -11.403 1.00 0.00 H new ATOM 0 HE3 TRP A 103 14.823 6.056 -12.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 19.699 5.270 -12.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 16.203 7.664 -13.465 1.00 0.00 H new ATOM 0 HH2 TRP A 103 18.609 7.272 -13.795 1.00 0.00 H new ATOM 1625 N ASP A 104 12.541 3.112 -7.756 1.00 0.00 N ATOM 1626 CA ASP A 104 11.168 2.894 -7.314 1.00 0.00 C ATOM 1627 C ASP A 104 10.761 3.902 -6.242 1.00 0.00 C ATOM 1628 O ASP A 104 9.575 4.202 -6.085 1.00 0.00 O ATOM 1629 CB ASP A 104 11.003 1.466 -6.783 1.00 0.00 C ATOM 1630 CG ASP A 104 10.997 0.430 -7.892 1.00 0.00 C ATOM 1631 OD1 ASP A 104 11.992 0.353 -8.642 1.00 0.00 O ATOM 1632 OD2 ASP A 104 9.994 -0.304 -8.010 1.00 0.00 O ATOM 0 H ASP A 104 13.246 2.682 -7.157 1.00 0.00 H new ATOM 0 HA ASP A 104 10.514 3.035 -8.174 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.813 1.245 -6.088 1.00 0.00 H new ATOM 0 HB3 ASP A 104 10.072 1.396 -6.220 1.00 0.00 H new ATOM 1637 N PHE A 105 11.749 4.420 -5.500 1.00 0.00 N ATOM 1638 CA PHE A 105 11.483 5.392 -4.437 1.00 0.00 C ATOM 1639 C PHE A 105 12.295 6.679 -4.640 1.00 0.00 C ATOM 1640 O PHE A 105 13.109 7.063 -3.792 1.00 0.00 O ATOM 1641 CB PHE A 105 11.768 4.779 -3.052 1.00 0.00 C ATOM 1642 CG PHE A 105 10.986 3.521 -2.761 1.00 0.00 C ATOM 1643 CD1 PHE A 105 9.691 3.588 -2.264 1.00 0.00 C ATOM 1644 CD2 PHE A 105 11.544 2.273 -2.995 1.00 0.00 C ATOM 1645 CE1 PHE A 105 8.974 2.434 -2.006 1.00 0.00 C ATOM 1646 CE2 PHE A 105 10.830 1.120 -2.738 1.00 0.00 C ATOM 1647 CZ PHE A 105 9.544 1.200 -2.243 1.00 0.00 C ATOM 0 H PHE A 105 12.734 4.182 -5.617 1.00 0.00 H new ATOM 0 HA PHE A 105 10.426 5.655 -4.485 1.00 0.00 H new ATOM 0 HB2 PHE A 105 12.833 4.558 -2.977 1.00 0.00 H new ATOM 0 HB3 PHE A 105 11.542 5.520 -2.285 1.00 0.00 H new ATOM 0 HD1 PHE A 105 9.239 4.551 -2.077 1.00 0.00 H new ATOM 0 HD2 PHE A 105 12.549 2.202 -3.383 1.00 0.00 H new ATOM 0 HE1 PHE A 105 7.968 2.499 -1.619 1.00 0.00 H new ATOM 0 HE2 PHE A 105 11.278 0.155 -2.924 1.00 0.00 H new ATOM 0 HZ PHE A 105 8.985 0.298 -2.042 1.00 0.00 H new ATOM 1657 N TYR A 106 12.049 7.340 -5.773 1.00 0.00 N ATOM 1658 CA TYR A 106 12.718 8.596 -6.123 1.00 0.00 C ATOM 1659 C TYR A 106 11.784 9.409 -7.022 1.00 0.00 C ATOM 1660 O TYR A 106 11.206 8.860 -7.964 1.00 0.00 O ATOM 1661 CB TYR A 106 14.066 8.304 -6.810 1.00 0.00 C ATOM 1662 CG TYR A 106 15.042 9.476 -6.898 1.00 0.00 C ATOM 1663 CD1 TYR A 106 15.106 10.472 -5.917 1.00 0.00 C ATOM 1664 CD2 TYR A 106 15.916 9.572 -7.976 1.00 0.00 C ATOM 1665 CE1 TYR A 106 16.001 11.513 -6.017 1.00 0.00 C ATOM 1666 CE2 TYR A 106 16.817 10.614 -8.076 1.00 0.00 C ATOM 1667 CZ TYR A 106 16.854 11.582 -7.098 1.00 0.00 C ATOM 1668 OH TYR A 106 17.752 12.620 -7.195 1.00 0.00 O ATOM 0 H TYR A 106 11.381 7.020 -6.474 1.00 0.00 H new ATOM 0 HA TYR A 106 12.935 9.177 -5.227 1.00 0.00 H new ATOM 0 HB2 TYR A 106 14.555 7.490 -6.275 1.00 0.00 H new ATOM 0 HB3 TYR A 106 13.866 7.947 -7.820 1.00 0.00 H new ATOM 0 HD1 TYR A 106 14.442 10.423 -5.067 1.00 0.00 H new ATOM 0 HD2 TYR A 106 15.890 8.818 -8.749 1.00 0.00 H new ATOM 0 HE1 TYR A 106 16.035 12.274 -5.251 1.00 0.00 H new ATOM 0 HE2 TYR A 106 17.490 10.669 -8.919 1.00 0.00 H new ATOM 0 HH TYR A 106 17.414 13.393 -6.697 1.00 0.00 H new ATOM 1678 N CYS A 107 11.592 10.694 -6.702 1.00 0.00 N ATOM 1679 CA CYS A 107 10.665 11.531 -7.471 1.00 0.00 C ATOM 1680 C CYS A 107 11.303 12.814 -7.995 1.00 0.00 C ATOM 1681 O CYS A 107 10.619 13.826 -8.191 1.00 0.00 O ATOM 1682 CB CYS A 107 9.467 11.870 -6.594 1.00 0.00 C ATOM 1683 SG CYS A 107 7.874 11.907 -7.467 1.00 0.00 S ATOM 0 H CYS A 107 12.057 11.170 -5.929 1.00 0.00 H new ATOM 0 HA CYS A 107 10.360 10.960 -8.348 1.00 0.00 H new ATOM 0 HB2 CYS A 107 9.407 11.140 -5.787 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.636 12.843 -6.132 1.00 0.00 H new ATOM 1688 N GLN A 108 12.601 12.767 -8.239 1.00 0.00 N ATOM 1689 CA GLN A 108 13.319 13.925 -8.760 1.00 0.00 C ATOM 1690 C GLN A 108 13.864 13.648 -10.158 1.00 0.00 C ATOM 1691 O GLN A 108 14.265 12.493 -10.419 1.00 0.00 O ATOM 1692 CB GLN A 108 14.457 14.329 -7.828 1.00 0.00 C ATOM 1693 CG GLN A 108 13.983 14.919 -6.510 1.00 0.00 C ATOM 1694 CD GLN A 108 15.118 15.476 -5.671 1.00 0.00 C ATOM 1695 OE1 GLN A 108 16.051 14.758 -5.309 1.00 0.00 O ATOM 1696 NE2 GLN A 108 15.044 16.763 -5.354 1.00 0.00 N ATOM 1697 OXT GLN A 108 13.885 14.588 -10.980 1.00 0.00 O ATOM 0 H GLN A 108 13.182 11.942 -8.086 1.00 0.00 H new ATOM 0 HA GLN A 108 12.609 14.750 -8.820 1.00 0.00 H new ATOM 0 HB2 GLN A 108 15.076 13.455 -7.624 1.00 0.00 H new ATOM 0 HB3 GLN A 108 15.090 15.057 -8.335 1.00 0.00 H new ATOM 0 HG2 GLN A 108 13.263 15.712 -6.711 1.00 0.00 H new ATOM 0 HG3 GLN A 108 13.460 14.150 -5.941 1.00 0.00 H new ATOM 0 HE21 GLN A 108 14.254 17.323 -5.674 1.00 0.00 H new ATOM 0 HE22 GLN A 108 15.778 17.192 -4.790 1.00 0.00 H new TER 1706 GLN A 108