USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 SER OG : rot 166:sc= 0.0288 USER MOD Set 1.2: A 57 GLN : amide:sc= -0.223 K(o=-0.19,f=-1.1) USER MOD Set 2.1: A 41 SER OG : rot 180:sc= -0.0547 USER MOD Set 2.2: A 42 LYS NZ :NH3+ 135:sc= -0.0245 (180deg=-0.288) USER MOD Set 3.1: A 25 GLN : amide:sc= -0.448 K(o=-4.9,f=-6) USER MOD Set 3.2: A 88 GLN : amide:sc= -4.49! C(o=-4.9!,f=-6.6!) USER MOD Set 4.1: A 15 ASN : amide:sc= -0.136 K(o=-0.31,f=-7.4!) USER MOD Set 4.2: A 17 HIS : no HE2:sc= -0.172 K(o=-0.31,f=-5.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 1.06 (180deg=0.84) USER MOD Single : A 5 LYS NZ :NH3+ -120:sc= -0.259 (180deg=-1.59!) USER MOD Single : A 7 LYS NZ :NH3+ -170:sc=-0.00558 (180deg=-0.12) USER MOD Single : A 11 LYS NZ :NH3+ -171:sc= 1.08 (180deg=0.669) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.0698 X(o=0.07,f=0) USER MOD Single : A 19 ASN : amide:sc= -4.37! C(o=-4.4!,f=-10!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 95:sc= 1.1 USER MOD Single : A 31 GLN : amide:sc= -1.36 K(o=-1.4,f=-3.9!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.0663 X(o=-0.066,f=-0.076) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.494 USER MOD Single : A 44 MET CE :methyl -149:sc= -0.164 (180deg=-2.22) USER MOD Single : A 45 LYS NZ :NH3+ -179:sc= 1.14 (180deg=1.13) USER MOD Single : A 47 TYR OH : rot 174:sc= 1.16 USER MOD Single : A 48 CYS SG : rot 159:sc= -3.46! USER MOD Single : A 51 GLN : amide:sc= -2.57 K(o=-2.6,f=-5.5!) USER MOD Single : A 55 MET CE :methyl -138:sc= -2.18 (180deg=-7.53!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 68 ASN : amide:sc= -4.5! C(o=-4.5!,f=-2.1!) USER MOD Single : A 70 THR OG1 : rot -37:sc= 0.579 USER MOD Single : A 72 THR OG1 : rot 180:sc=-0.00992 USER MOD Single : A 75 GLN : amide:sc= -0.867 K(o=-0.87,f=0) USER MOD Single : A 78 MET CE :methyl -169:sc= -0.0471 (180deg=-0.322) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -2.29 K(o=-2.3,f=-4.5!) USER MOD Single : A 90 GLN : amide:sc= -0.0567 K(o=-0.057,f=-0.61) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.794 8.921 11.254 1.00 0.00 N ATOM 2 CA MET A 1 7.378 8.804 9.832 1.00 0.00 C ATOM 3 C MET A 1 7.857 7.496 9.241 1.00 0.00 C ATOM 4 O MET A 1 7.458 7.102 8.146 1.00 0.00 O ATOM 5 CB MET A 1 7.914 9.975 9.008 1.00 0.00 C ATOM 6 CG MET A 1 7.511 11.322 9.556 1.00 0.00 C ATOM 7 SD MET A 1 7.889 12.682 8.430 1.00 0.00 S ATOM 8 CE MET A 1 7.270 14.076 9.372 1.00 0.00 C ATOM 0 H1 MET A 1 7.344 9.756 11.680 1.00 0.00 H new ATOM 0 H2 MET A 1 7.502 8.068 11.772 1.00 0.00 H new ATOM 0 H3 MET A 1 8.828 9.021 11.306 1.00 0.00 H new ATOM 0 HA MET A 1 6.289 8.827 9.801 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.002 9.916 8.970 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.554 9.885 7.983 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.441 11.318 9.766 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.021 11.490 10.504 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.430 14.996 8.809 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.204 13.945 9.557 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.799 14.136 10.323 1.00 0.00 H new ATOM 18 N ALA A 2 8.725 6.830 9.960 1.00 0.00 N ATOM 19 CA ALA A 2 9.226 5.529 9.553 1.00 0.00 C ATOM 20 C ALA A 2 8.485 4.441 10.315 1.00 0.00 C ATOM 21 O ALA A 2 8.888 3.277 10.343 1.00 0.00 O ATOM 22 CB ALA A 2 10.721 5.442 9.809 1.00 0.00 C ATOM 0 H ALA A 2 9.107 7.168 10.843 1.00 0.00 H new ATOM 0 HA ALA A 2 9.055 5.390 8.485 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.087 4.463 9.500 1.00 0.00 H new ATOM 0 HB2 ALA A 2 11.233 6.217 9.239 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.917 5.584 10.872 1.00 0.00 H new ATOM 28 N ASP A 3 7.379 4.839 10.928 1.00 0.00 N ATOM 29 CA ASP A 3 6.546 3.950 11.727 1.00 0.00 C ATOM 30 C ASP A 3 5.332 3.540 10.918 1.00 0.00 C ATOM 31 O ASP A 3 4.345 3.050 11.457 1.00 0.00 O ATOM 32 CB ASP A 3 6.055 4.681 12.989 1.00 0.00 C ATOM 33 CG ASP A 3 7.020 5.732 13.500 1.00 0.00 C ATOM 34 OD1 ASP A 3 7.063 6.845 12.913 1.00 0.00 O ATOM 35 OD2 ASP A 3 7.732 5.467 14.488 1.00 0.00 O ATOM 0 H ASP A 3 7.031 5.797 10.885 1.00 0.00 H new ATOM 0 HA ASP A 3 7.134 3.076 12.008 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.097 5.154 12.774 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.879 3.949 13.777 1.00 0.00 H new ATOM 40 N GLU A 4 5.409 3.726 9.619 1.00 0.00 N ATOM 41 CA GLU A 4 4.277 3.472 8.742 1.00 0.00 C ATOM 42 C GLU A 4 4.252 2.017 8.258 1.00 0.00 C ATOM 43 O GLU A 4 3.823 1.720 7.144 1.00 0.00 O ATOM 44 CB GLU A 4 4.314 4.425 7.557 1.00 0.00 C ATOM 45 CG GLU A 4 4.627 5.875 7.927 1.00 0.00 C ATOM 46 CD GLU A 4 3.759 6.414 9.046 1.00 0.00 C ATOM 47 OE1 GLU A 4 2.533 6.514 8.860 1.00 0.00 O ATOM 48 OE2 GLU A 4 4.307 6.741 10.122 1.00 0.00 O ATOM 0 H GLU A 4 6.247 4.054 9.140 1.00 0.00 H new ATOM 0 HA GLU A 4 3.364 3.643 9.313 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.062 4.074 6.846 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.351 4.392 7.048 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.674 5.949 8.222 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.500 6.502 7.045 1.00 0.00 H new ATOM 55 N LYS A 5 4.688 1.120 9.113 1.00 0.00 N ATOM 56 CA LYS A 5 4.720 -0.311 8.812 1.00 0.00 C ATOM 57 C LYS A 5 4.351 -1.145 10.053 1.00 0.00 C ATOM 58 O LYS A 5 3.484 -2.018 9.974 1.00 0.00 O ATOM 59 CB LYS A 5 6.085 -0.753 8.232 1.00 0.00 C ATOM 60 CG LYS A 5 6.366 -0.229 6.832 1.00 0.00 C ATOM 61 CD LYS A 5 7.763 -0.603 6.336 1.00 0.00 C ATOM 62 CE LYS A 5 7.949 -2.115 6.193 1.00 0.00 C ATOM 63 NZ LYS A 5 8.406 -2.757 7.457 1.00 0.00 N ATOM 0 H LYS A 5 5.034 1.354 10.044 1.00 0.00 H new ATOM 0 HA LYS A 5 3.970 -0.494 8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.877 -0.416 8.900 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.125 -1.842 8.215 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.621 -0.626 6.143 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.260 0.856 6.826 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.943 -0.125 5.373 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.508 -0.213 7.029 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.007 -2.566 5.881 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.675 -2.315 5.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.323 -3.222 7.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.508 -2.033 8.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.707 -3.465 7.760 1.00 0.00 H new ATOM 77 N PRO A 6 5.008 -0.899 11.231 1.00 0.00 N ATOM 78 CA PRO A 6 4.675 -1.598 12.462 1.00 0.00 C ATOM 79 C PRO A 6 3.488 -0.939 13.164 1.00 0.00 C ATOM 80 O PRO A 6 3.038 0.140 12.771 1.00 0.00 O ATOM 81 CB PRO A 6 5.949 -1.458 13.327 1.00 0.00 C ATOM 82 CG PRO A 6 6.916 -0.651 12.507 1.00 0.00 C ATOM 83 CD PRO A 6 6.109 0.041 11.456 1.00 0.00 C ATOM 0 HA PRO A 6 4.389 -2.635 12.284 1.00 0.00 H new ATOM 0 HB2 PRO A 6 5.727 -0.961 14.271 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.365 -2.436 13.571 1.00 0.00 H new ATOM 0 HG2 PRO A 6 7.443 0.072 13.130 1.00 0.00 H new ATOM 0 HG3 PRO A 6 7.672 -1.294 12.055 1.00 0.00 H new ATOM 0 HD2 PRO A 6 5.750 1.013 11.795 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.687 0.213 10.548 1.00 0.00 H new ATOM 91 N LYS A 7 2.981 -1.576 14.203 1.00 0.00 N ATOM 92 CA LYS A 7 1.843 -1.044 14.940 1.00 0.00 C ATOM 93 C LYS A 7 2.280 -0.014 15.978 1.00 0.00 C ATOM 94 O LYS A 7 1.460 0.527 16.715 1.00 0.00 O ATOM 95 CB LYS A 7 1.060 -2.175 15.612 1.00 0.00 C ATOM 96 CG LYS A 7 0.543 -3.236 14.642 1.00 0.00 C ATOM 97 CD LYS A 7 -0.342 -2.629 13.555 1.00 0.00 C ATOM 98 CE LYS A 7 -1.595 -1.978 14.133 1.00 0.00 C ATOM 99 NZ LYS A 7 -2.462 -2.956 14.833 1.00 0.00 N ATOM 0 H LYS A 7 3.337 -2.463 14.558 1.00 0.00 H new ATOM 0 HA LYS A 7 1.193 -0.542 14.223 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.700 -2.655 16.352 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.214 -1.747 16.151 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.387 -3.748 14.180 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.022 -3.988 15.193 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.228 -1.886 12.997 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.631 -3.406 12.847 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.305 -1.189 14.828 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.160 -1.504 13.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.374 -2.511 15.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.622 -3.780 14.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.999 -3.264 15.712 1.00 0.00 H new ATOM 113 N GLU A 8 3.569 0.256 16.037 1.00 0.00 N ATOM 114 CA GLU A 8 4.096 1.238 16.964 1.00 0.00 C ATOM 115 C GLU A 8 4.349 2.558 16.254 1.00 0.00 C ATOM 116 O GLU A 8 4.265 2.643 15.029 1.00 0.00 O ATOM 117 CB GLU A 8 5.380 0.736 17.613 1.00 0.00 C ATOM 118 CG GLU A 8 5.193 -0.509 18.451 1.00 0.00 C ATOM 119 CD GLU A 8 6.443 -0.886 19.202 1.00 0.00 C ATOM 120 OE1 GLU A 8 7.279 -1.619 18.639 1.00 0.00 O ATOM 121 OE2 GLU A 8 6.603 -0.447 20.359 1.00 0.00 O ATOM 0 H GLU A 8 4.273 -0.193 15.451 1.00 0.00 H new ATOM 0 HA GLU A 8 3.354 1.397 17.746 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.114 0.531 16.834 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.792 1.526 18.240 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.381 -0.349 19.160 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.895 -1.336 17.807 1.00 0.00 H new ATOM 128 N GLY A 9 4.671 3.585 17.015 1.00 0.00 N ATOM 129 CA GLY A 9 4.904 4.886 16.437 1.00 0.00 C ATOM 130 C GLY A 9 3.632 5.688 16.347 1.00 0.00 C ATOM 131 O GLY A 9 3.131 5.964 15.249 1.00 0.00 O ATOM 0 H GLY A 9 4.776 3.541 18.029 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.634 5.427 17.039 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.334 4.771 15.442 1.00 0.00 H new ATOM 135 N VAL A 10 3.094 6.053 17.505 1.00 0.00 N ATOM 136 CA VAL A 10 1.867 6.831 17.580 1.00 0.00 C ATOM 137 C VAL A 10 2.012 8.170 16.847 1.00 0.00 C ATOM 138 O VAL A 10 2.964 8.933 17.077 1.00 0.00 O ATOM 139 CB VAL A 10 1.435 7.069 19.058 1.00 0.00 C ATOM 140 CG1 VAL A 10 2.539 7.749 19.857 1.00 0.00 C ATOM 141 CG2 VAL A 10 0.151 7.877 19.125 1.00 0.00 C ATOM 0 H VAL A 10 3.495 5.819 18.413 1.00 0.00 H new ATOM 0 HA VAL A 10 1.087 6.251 17.086 1.00 0.00 H new ATOM 0 HB VAL A 10 1.250 6.093 19.507 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.205 7.900 20.883 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.430 7.121 19.854 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.773 8.713 19.406 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.129 8.029 20.167 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.304 8.844 18.645 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.645 7.339 18.610 1.00 0.00 H new ATOM 151 N LYS A 11 1.084 8.437 15.939 1.00 0.00 N ATOM 152 CA LYS A 11 1.100 9.676 15.177 1.00 0.00 C ATOM 153 C LYS A 11 0.947 10.851 16.117 1.00 0.00 C ATOM 154 O LYS A 11 -0.060 10.994 16.810 1.00 0.00 O ATOM 155 CB LYS A 11 0.015 9.680 14.103 1.00 0.00 C ATOM 156 CG LYS A 11 -0.052 8.384 13.304 1.00 0.00 C ATOM 157 CD LYS A 11 1.325 7.950 12.809 1.00 0.00 C ATOM 158 CE LYS A 11 1.294 6.522 12.296 1.00 0.00 C ATOM 159 NZ LYS A 11 2.653 5.990 12.035 1.00 0.00 N ATOM 0 H LYS A 11 0.311 7.812 15.713 1.00 0.00 H new ATOM 0 HA LYS A 11 2.057 9.760 14.663 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.952 9.858 14.574 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.194 10.510 13.420 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.480 7.596 13.924 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.719 8.516 12.452 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.657 8.618 12.015 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.049 8.033 13.619 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.791 5.887 13.025 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.707 6.480 11.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.580 5.075 11.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.180 6.660 11.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.154 5.861 12.937 1.00 0.00 H new ATOM 173 N THR A 12 1.944 11.687 16.139 1.00 0.00 N ATOM 174 CA THR A 12 2.026 12.767 17.086 1.00 0.00 C ATOM 175 C THR A 12 1.351 14.052 16.572 1.00 0.00 C ATOM 176 O THR A 12 1.296 14.307 15.362 1.00 0.00 O ATOM 177 CB THR A 12 3.509 13.044 17.404 1.00 0.00 C ATOM 178 OG1 THR A 12 4.215 11.789 17.478 1.00 0.00 O ATOM 179 CG2 THR A 12 3.658 13.766 18.729 1.00 0.00 C ATOM 0 H THR A 12 2.733 11.640 15.494 1.00 0.00 H new ATOM 0 HA THR A 12 1.491 12.465 17.987 1.00 0.00 H new ATOM 0 HB THR A 12 3.919 13.674 16.615 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.160 11.956 17.678 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.714 13.948 18.927 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.127 14.717 18.687 1.00 0.00 H new ATOM 0 HG23 THR A 12 3.240 13.152 19.527 1.00 0.00 H new ATOM 187 N GLU A 13 0.836 14.855 17.521 1.00 0.00 N ATOM 188 CA GLU A 13 0.213 16.161 17.246 1.00 0.00 C ATOM 189 C GLU A 13 -1.009 16.068 16.330 1.00 0.00 C ATOM 190 O GLU A 13 -1.428 17.082 15.764 1.00 0.00 O ATOM 191 CB GLU A 13 1.238 17.101 16.620 1.00 0.00 C ATOM 192 CG GLU A 13 2.451 17.362 17.488 1.00 0.00 C ATOM 193 CD GLU A 13 3.580 18.003 16.715 1.00 0.00 C ATOM 194 OE1 GLU A 13 4.383 17.259 16.111 1.00 0.00 O ATOM 195 OE2 GLU A 13 3.668 19.248 16.697 1.00 0.00 O ATOM 0 H GLU A 13 0.841 14.612 18.512 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.133 16.547 18.205 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.568 16.680 15.670 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.754 18.052 16.396 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.169 18.009 18.319 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.796 16.422 17.919 1.00 0.00 H new ATOM 202 N ASN A 14 -1.608 14.879 16.214 1.00 0.00 N ATOM 203 CA ASN A 14 -2.738 14.662 15.302 1.00 0.00 C ATOM 204 C ASN A 14 -2.394 15.218 13.921 1.00 0.00 C ATOM 205 O ASN A 14 -2.885 16.273 13.498 1.00 0.00 O ATOM 206 CB ASN A 14 -4.025 15.293 15.850 1.00 0.00 C ATOM 207 CG ASN A 14 -5.263 14.869 15.076 1.00 0.00 C ATOM 208 OD1 ASN A 14 -5.900 13.864 15.398 1.00 0.00 O ATOM 209 ND2 ASN A 14 -5.610 15.624 14.062 1.00 0.00 N ATOM 0 H ASN A 14 -1.330 14.051 16.740 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.919 13.591 15.216 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.144 15.015 16.897 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.935 16.379 15.817 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.433 15.387 13.508 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.057 16.448 13.827 1.00 0.00 H new ATOM 216 N ASN A 15 -1.512 14.525 13.246 1.00 0.00 N ATOM 217 CA ASN A 15 -0.995 14.957 11.960 1.00 0.00 C ATOM 218 C ASN A 15 -1.967 14.680 10.816 1.00 0.00 C ATOM 219 O ASN A 15 -2.997 14.020 10.991 1.00 0.00 O ATOM 220 CB ASN A 15 0.363 14.285 11.692 1.00 0.00 C ATOM 221 CG ASN A 15 0.266 12.770 11.548 1.00 0.00 C ATOM 222 OD1 ASN A 15 -0.678 12.138 12.025 1.00 0.00 O ATOM 223 ND2 ASN A 15 1.257 12.176 10.914 1.00 0.00 N ATOM 0 H ASN A 15 -1.126 13.638 13.570 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.865 16.038 12.005 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.795 14.703 10.783 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.046 14.523 12.507 1.00 0.00 H new ATOM 0 HD21 ASN A 15 1.258 11.162 10.806 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.023 12.731 10.531 1.00 0.00 H new ATOM 230 N ASP A 16 -1.603 15.152 9.631 1.00 0.00 N ATOM 231 CA ASP A 16 -2.433 15.002 8.440 1.00 0.00 C ATOM 232 C ASP A 16 -2.231 13.628 7.845 1.00 0.00 C ATOM 233 O ASP A 16 -1.375 13.425 6.982 1.00 0.00 O ATOM 234 CB ASP A 16 -2.110 16.076 7.387 1.00 0.00 C ATOM 235 CG ASP A 16 -2.447 17.481 7.838 1.00 0.00 C ATOM 236 OD1 ASP A 16 -3.589 17.929 7.602 1.00 0.00 O ATOM 237 OD2 ASP A 16 -1.564 18.155 8.415 1.00 0.00 O ATOM 0 H ASP A 16 -0.727 15.648 9.467 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.474 15.126 8.739 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.049 16.026 7.141 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.660 15.854 6.472 1.00 0.00 H new ATOM 242 N HIS A 17 -2.980 12.676 8.325 1.00 0.00 N ATOM 243 CA HIS A 17 -2.856 11.312 7.859 1.00 0.00 C ATOM 244 C HIS A 17 -4.199 10.787 7.379 1.00 0.00 C ATOM 245 O HIS A 17 -5.245 11.199 7.866 1.00 0.00 O ATOM 246 CB HIS A 17 -2.275 10.411 8.971 1.00 0.00 C ATOM 247 CG HIS A 17 -3.193 10.185 10.137 1.00 0.00 C ATOM 248 ND1 HIS A 17 -3.187 10.967 11.271 1.00 0.00 N ATOM 249 CD2 HIS A 17 -4.150 9.254 10.331 1.00 0.00 C ATOM 250 CE1 HIS A 17 -4.104 10.528 12.112 1.00 0.00 C ATOM 251 NE2 HIS A 17 -4.704 9.488 11.566 1.00 0.00 N ATOM 0 H HIS A 17 -3.690 12.815 9.044 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.166 11.296 7.015 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -2.014 9.445 8.538 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.350 10.857 9.335 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -2.569 11.762 11.435 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.429 8.470 9.643 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.325 10.948 13.082 1.00 0.00 H new ATOM 260 N ILE A 18 -4.170 9.879 6.430 1.00 0.00 N ATOM 261 CA ILE A 18 -5.382 9.300 5.882 1.00 0.00 C ATOM 262 C ILE A 18 -5.289 7.782 5.878 1.00 0.00 C ATOM 263 O ILE A 18 -4.219 7.211 6.092 1.00 0.00 O ATOM 264 CB ILE A 18 -5.661 9.789 4.440 1.00 0.00 C ATOM 265 CG1 ILE A 18 -4.414 9.621 3.565 1.00 0.00 C ATOM 266 CG2 ILE A 18 -6.130 11.238 4.441 1.00 0.00 C ATOM 267 CD1 ILE A 18 -4.662 9.873 2.093 1.00 0.00 C ATOM 0 H ILE A 18 -3.310 9.520 6.015 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.204 9.625 6.520 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.459 9.177 4.020 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.641 10.304 3.916 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.027 8.610 3.691 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.320 11.560 3.417 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.047 11.323 5.024 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.359 11.870 4.883 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.734 9.735 1.539 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.412 9.172 1.725 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.019 10.893 1.954 1.00 0.00 H new ATOM 279 N ASN A 19 -6.403 7.126 5.640 1.00 0.00 N ATOM 280 CA ASN A 19 -6.433 5.676 5.609 1.00 0.00 C ATOM 281 C ASN A 19 -6.498 5.200 4.169 1.00 0.00 C ATOM 282 O ASN A 19 -7.328 5.659 3.401 1.00 0.00 O ATOM 283 CB ASN A 19 -7.654 5.127 6.370 1.00 0.00 C ATOM 284 CG ASN A 19 -8.177 6.060 7.443 1.00 0.00 C ATOM 285 OD1 ASN A 19 -7.701 6.068 8.557 1.00 0.00 O ATOM 286 ND2 ASN A 19 -9.184 6.835 7.112 1.00 0.00 N ATOM 0 H ASN A 19 -7.303 7.572 5.464 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.526 5.310 6.091 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.453 4.924 5.657 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.386 4.175 6.829 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.589 7.468 7.802 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.562 6.804 6.165 1.00 0.00 H new ATOM 293 N LEU A 20 -5.619 4.311 3.795 1.00 0.00 N ATOM 294 CA LEU A 20 -5.628 3.737 2.464 1.00 0.00 C ATOM 295 C LEU A 20 -5.743 2.237 2.578 1.00 0.00 C ATOM 296 O LEU A 20 -4.949 1.591 3.257 1.00 0.00 O ATOM 297 CB LEU A 20 -4.355 4.096 1.671 1.00 0.00 C ATOM 298 CG LEU A 20 -4.158 5.572 1.295 1.00 0.00 C ATOM 299 CD1 LEU A 20 -5.430 6.167 0.717 1.00 0.00 C ATOM 300 CD2 LEU A 20 -3.663 6.380 2.478 1.00 0.00 C ATOM 0 H LEU A 20 -4.875 3.960 4.398 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.480 4.149 1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.492 3.778 2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.352 3.510 0.752 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.391 5.615 0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.259 7.213 0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.715 5.616 -0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.230 6.100 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.533 7.420 2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.390 6.323 3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.709 5.979 2.819 1.00 0.00 H new ATOM 312 N LYS A 21 -6.727 1.672 1.933 1.00 0.00 N ATOM 313 CA LYS A 21 -6.926 0.249 1.993 1.00 0.00 C ATOM 314 C LYS A 21 -6.469 -0.414 0.723 1.00 0.00 C ATOM 315 O LYS A 21 -6.689 0.087 -0.363 1.00 0.00 O ATOM 316 CB LYS A 21 -8.384 -0.075 2.267 1.00 0.00 C ATOM 317 CG LYS A 21 -8.706 -1.553 2.178 1.00 0.00 C ATOM 318 CD LYS A 21 -10.026 -1.855 2.825 1.00 0.00 C ATOM 319 CE LYS A 21 -11.169 -1.153 2.101 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.479 -1.389 2.756 1.00 0.00 N ATOM 0 H LYS A 21 -7.404 2.175 1.359 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.324 -0.141 2.814 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.647 0.286 3.261 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.007 0.467 1.556 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.730 -1.861 1.133 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.919 -2.130 2.663 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.197 -2.931 2.822 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.004 -1.538 3.868 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.971 -0.082 2.066 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.213 -1.503 1.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.225 -0.892 2.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.683 -2.409 2.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.448 -1.032 3.732 1.00 0.00 H new ATOM 334 N VAL A 22 -5.845 -1.549 0.858 1.00 0.00 N ATOM 335 CA VAL A 22 -5.342 -2.273 -0.278 1.00 0.00 C ATOM 336 C VAL A 22 -6.110 -3.564 -0.446 1.00 0.00 C ATOM 337 O VAL A 22 -6.185 -4.375 0.474 1.00 0.00 O ATOM 338 CB VAL A 22 -3.838 -2.582 -0.136 1.00 0.00 C ATOM 339 CG1 VAL A 22 -3.317 -3.262 -1.384 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.056 -1.312 0.146 1.00 0.00 C ATOM 0 H VAL A 22 -5.670 -1.999 1.756 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.476 -1.644 -1.158 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.704 -3.260 0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.254 -3.473 -1.267 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.857 -4.196 -1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.464 -2.608 -2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.997 -1.551 0.243 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.196 -0.609 -0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.413 -0.863 1.073 1.00 0.00 H new ATOM 350 N ALA A 23 -6.670 -3.761 -1.616 1.00 0.00 N ATOM 351 CA ALA A 23 -7.463 -4.935 -1.895 1.00 0.00 C ATOM 352 C ALA A 23 -6.980 -5.597 -3.155 1.00 0.00 C ATOM 353 O ALA A 23 -6.865 -4.971 -4.211 1.00 0.00 O ATOM 354 CB ALA A 23 -8.939 -4.586 -2.001 1.00 0.00 C ATOM 0 H ALA A 23 -6.589 -3.114 -2.400 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.347 -5.633 -1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.512 -5.489 -2.212 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.279 -4.152 -1.061 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.086 -3.867 -2.807 1.00 0.00 H new ATOM 360 N GLY A 24 -6.684 -6.854 -3.055 1.00 0.00 N ATOM 361 CA GLY A 24 -6.198 -7.572 -4.193 1.00 0.00 C ATOM 362 C GLY A 24 -7.200 -8.565 -4.688 1.00 0.00 C ATOM 363 O GLY A 24 -7.938 -9.149 -3.902 1.00 0.00 O ATOM 0 H GLY A 24 -6.769 -7.404 -2.200 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.957 -6.870 -4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.274 -8.087 -3.931 1.00 0.00 H new ATOM 367 N GLN A 25 -7.232 -8.786 -5.998 1.00 0.00 N ATOM 368 CA GLN A 25 -8.144 -9.772 -6.589 1.00 0.00 C ATOM 369 C GLN A 25 -7.862 -11.200 -6.078 1.00 0.00 C ATOM 370 O GLN A 25 -8.573 -12.149 -6.397 1.00 0.00 O ATOM 371 CB GLN A 25 -8.117 -9.718 -8.134 1.00 0.00 C ATOM 372 CG GLN A 25 -6.731 -9.554 -8.779 1.00 0.00 C ATOM 373 CD GLN A 25 -5.693 -10.523 -8.253 1.00 0.00 C ATOM 374 OE1 GLN A 25 -5.590 -11.654 -8.717 1.00 0.00 O ATOM 375 NE2 GLN A 25 -4.881 -10.065 -7.319 1.00 0.00 N ATOM 0 H GLN A 25 -6.641 -8.300 -6.673 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.150 -9.504 -6.264 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.568 -10.633 -8.518 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.748 -8.891 -8.460 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.824 -9.686 -9.857 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.381 -8.535 -8.612 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.000 -9.118 -6.959 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.134 -10.658 -6.957 1.00 0.00 H new ATOM 384 N ASP A 26 -6.811 -11.324 -5.285 1.00 0.00 N ATOM 385 CA ASP A 26 -6.411 -12.579 -4.667 1.00 0.00 C ATOM 386 C ASP A 26 -7.304 -12.884 -3.470 1.00 0.00 C ATOM 387 O ASP A 26 -7.377 -14.020 -2.990 1.00 0.00 O ATOM 388 CB ASP A 26 -4.955 -12.455 -4.207 1.00 0.00 C ATOM 389 CG ASP A 26 -4.454 -13.664 -3.459 1.00 0.00 C ATOM 390 OD1 ASP A 26 -4.200 -14.701 -4.102 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.290 -13.574 -2.220 1.00 0.00 O ATOM 0 H ASP A 26 -6.200 -10.542 -5.048 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.509 -13.390 -5.388 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.321 -12.288 -5.077 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.858 -11.577 -3.569 1.00 0.00 H new ATOM 396 N GLY A 27 -8.001 -11.867 -2.999 1.00 0.00 N ATOM 397 CA GLY A 27 -8.841 -12.016 -1.832 1.00 0.00 C ATOM 398 C GLY A 27 -8.204 -11.385 -0.622 1.00 0.00 C ATOM 399 O GLY A 27 -8.843 -11.189 0.410 1.00 0.00 O ATOM 0 H GLY A 27 -8.000 -10.932 -3.407 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.812 -11.556 -2.017 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.021 -13.074 -1.642 1.00 0.00 H new ATOM 403 N SER A 28 -6.934 -11.067 -0.749 1.00 0.00 N ATOM 404 CA SER A 28 -6.185 -10.450 0.313 1.00 0.00 C ATOM 405 C SER A 28 -6.434 -8.943 0.342 1.00 0.00 C ATOM 406 O SER A 28 -6.174 -8.232 -0.639 1.00 0.00 O ATOM 407 CB SER A 28 -4.699 -10.745 0.133 1.00 0.00 C ATOM 408 OG SER A 28 -4.453 -12.150 0.151 1.00 0.00 O ATOM 0 H SER A 28 -6.393 -11.232 -1.598 1.00 0.00 H new ATOM 0 HA SER A 28 -6.515 -10.864 1.266 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.352 -10.323 -0.810 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.129 -10.262 0.927 1.00 0.00 H new ATOM 0 HG SER A 28 -4.429 -12.490 -0.768 1.00 0.00 H new ATOM 414 N VAL A 29 -6.953 -8.454 1.451 1.00 0.00 N ATOM 415 CA VAL A 29 -7.226 -7.043 1.602 1.00 0.00 C ATOM 416 C VAL A 29 -6.923 -6.570 3.030 1.00 0.00 C ATOM 417 O VAL A 29 -7.241 -7.249 4.011 1.00 0.00 O ATOM 418 CB VAL A 29 -8.691 -6.697 1.191 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.693 -7.592 1.886 1.00 0.00 C ATOM 420 CG2 VAL A 29 -9.007 -5.239 1.452 1.00 0.00 C ATOM 0 H VAL A 29 -7.195 -9.020 2.265 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.561 -6.506 0.925 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.772 -6.876 0.119 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.701 -7.320 1.574 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.499 -8.631 1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.602 -7.471 2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.035 -5.031 1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.886 -5.025 2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.328 -4.611 0.875 1.00 0.00 H new ATOM 430 N VAL A 30 -6.300 -5.398 3.139 1.00 0.00 N ATOM 431 CA VAL A 30 -5.880 -4.838 4.429 1.00 0.00 C ATOM 432 C VAL A 30 -6.030 -3.319 4.399 1.00 0.00 C ATOM 433 O VAL A 30 -5.941 -2.706 3.337 1.00 0.00 O ATOM 434 CB VAL A 30 -4.395 -5.176 4.765 1.00 0.00 C ATOM 435 CG1 VAL A 30 -4.078 -4.844 6.217 1.00 0.00 C ATOM 436 CG2 VAL A 30 -4.068 -6.628 4.468 1.00 0.00 C ATOM 0 H VAL A 30 -6.071 -4.808 2.339 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.516 -5.282 5.194 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.769 -4.557 4.122 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.037 -5.088 6.427 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.244 -3.781 6.392 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.727 -5.425 6.873 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.025 -6.824 4.715 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.710 -7.275 5.065 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.234 -6.829 3.410 1.00 0.00 H new ATOM 446 N GLN A 31 -6.258 -2.709 5.548 1.00 0.00 N ATOM 447 CA GLN A 31 -6.404 -1.274 5.630 1.00 0.00 C ATOM 448 C GLN A 31 -5.178 -0.677 6.333 1.00 0.00 C ATOM 449 O GLN A 31 -4.689 -1.225 7.321 1.00 0.00 O ATOM 450 CB GLN A 31 -7.699 -0.944 6.368 1.00 0.00 C ATOM 451 CG GLN A 31 -8.156 0.498 6.270 1.00 0.00 C ATOM 452 CD GLN A 31 -7.537 1.386 7.325 1.00 0.00 C ATOM 453 OE1 GLN A 31 -6.585 2.098 7.072 1.00 0.00 O ATOM 454 NE2 GLN A 31 -8.044 1.294 8.529 1.00 0.00 N ATOM 0 H GLN A 31 -6.346 -3.193 6.442 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.462 -0.837 4.633 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.491 -1.585 5.981 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.571 -1.196 7.421 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.905 0.887 5.283 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.241 0.537 6.362 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.844 0.685 8.700 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.639 1.832 9.295 1.00 0.00 H new ATOM 463 N PHE A 32 -4.678 0.434 5.815 1.00 0.00 N ATOM 464 CA PHE A 32 -3.453 1.058 6.347 1.00 0.00 C ATOM 465 C PHE A 32 -3.650 2.535 6.596 1.00 0.00 C ATOM 466 O PHE A 32 -4.248 3.241 5.798 1.00 0.00 O ATOM 467 CB PHE A 32 -2.275 0.864 5.381 1.00 0.00 C ATOM 468 CG PHE A 32 -2.068 -0.554 4.952 1.00 0.00 C ATOM 469 CD1 PHE A 32 -2.839 -1.091 3.941 1.00 0.00 C ATOM 470 CD2 PHE A 32 -1.112 -1.352 5.559 1.00 0.00 C ATOM 471 CE1 PHE A 32 -2.671 -2.386 3.542 1.00 0.00 C ATOM 472 CE2 PHE A 32 -0.936 -2.658 5.158 1.00 0.00 C ATOM 473 CZ PHE A 32 -1.717 -3.177 4.148 1.00 0.00 C ATOM 0 H PHE A 32 -5.094 0.930 5.027 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.230 0.567 7.294 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.438 1.480 4.497 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.364 1.225 5.858 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.586 -0.478 3.459 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.501 -0.947 6.352 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.285 -2.791 2.752 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.188 -3.274 5.634 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.582 -4.201 3.832 1.00 0.00 H new ATOM 483 N LYS A 33 -3.116 3.008 7.687 1.00 0.00 N ATOM 484 CA LYS A 33 -3.250 4.389 8.054 1.00 0.00 C ATOM 485 C LYS A 33 -1.893 5.078 7.964 1.00 0.00 C ATOM 486 O LYS A 33 -1.016 4.839 8.784 1.00 0.00 O ATOM 487 CB LYS A 33 -3.800 4.466 9.470 1.00 0.00 C ATOM 488 CG LYS A 33 -4.844 5.526 9.668 1.00 0.00 C ATOM 489 CD LYS A 33 -5.624 5.281 10.948 1.00 0.00 C ATOM 490 CE LYS A 33 -6.589 6.405 11.244 1.00 0.00 C ATOM 491 NZ LYS A 33 -7.388 6.151 12.467 1.00 0.00 N ATOM 0 H LYS A 33 -2.576 2.447 8.346 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.936 4.896 7.375 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.226 3.498 9.735 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.975 4.651 10.158 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.370 6.507 9.707 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.526 5.535 8.817 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.174 4.343 10.864 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.929 5.170 11.781 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.034 7.336 11.361 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.260 6.538 10.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.036 6.948 12.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.938 5.277 12.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.751 6.050 13.283 1.00 0.00 H new ATOM 505 N ILE A 34 -1.712 5.928 6.965 1.00 0.00 N ATOM 506 CA ILE A 34 -0.427 6.602 6.754 1.00 0.00 C ATOM 507 C ILE A 34 -0.611 8.102 6.613 1.00 0.00 C ATOM 508 O ILE A 34 -1.732 8.600 6.527 1.00 0.00 O ATOM 509 CB ILE A 34 0.327 6.075 5.501 1.00 0.00 C ATOM 510 CG1 ILE A 34 -0.511 6.282 4.235 1.00 0.00 C ATOM 511 CG2 ILE A 34 0.700 4.607 5.669 1.00 0.00 C ATOM 512 CD1 ILE A 34 0.236 5.983 2.951 1.00 0.00 C ATOM 0 H ILE A 34 -2.433 6.171 6.286 1.00 0.00 H new ATOM 0 HA ILE A 34 0.172 6.380 7.637 1.00 0.00 H new ATOM 0 HB ILE A 34 1.248 6.648 5.396 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.394 5.645 4.287 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.863 7.313 4.208 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.227 4.261 4.779 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.345 4.493 6.540 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.205 4.015 5.808 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.422 6.152 2.099 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.104 6.638 2.874 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.564 4.944 2.955 1.00 0.00 H new ATOM 524 N LYS A 35 0.486 8.826 6.579 1.00 0.00 N ATOM 525 CA LYS A 35 0.445 10.268 6.467 1.00 0.00 C ATOM 526 C LYS A 35 0.214 10.682 5.008 1.00 0.00 C ATOM 527 O LYS A 35 0.622 9.987 4.085 1.00 0.00 O ATOM 528 CB LYS A 35 1.759 10.858 7.004 1.00 0.00 C ATOM 529 CG LYS A 35 1.622 12.202 7.697 1.00 0.00 C ATOM 530 CD LYS A 35 1.714 13.377 6.737 1.00 0.00 C ATOM 531 CE LYS A 35 1.581 14.695 7.490 1.00 0.00 C ATOM 532 NZ LYS A 35 1.795 15.877 6.615 1.00 0.00 N ATOM 0 H LYS A 35 1.427 8.435 6.628 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.383 10.656 7.060 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.199 10.148 7.704 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.458 10.963 6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.666 12.240 8.218 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.401 12.296 8.453 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.667 13.348 6.208 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.929 13.301 5.984 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.589 14.754 7.939 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.302 14.717 8.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.694 16.747 7.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.751 15.838 6.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.091 15.874 5.850 1.00 0.00 H new ATOM 546 N ARG A 36 -0.441 11.822 4.810 1.00 0.00 N ATOM 547 CA ARG A 36 -0.745 12.350 3.478 1.00 0.00 C ATOM 548 C ARG A 36 0.539 12.638 2.676 1.00 0.00 C ATOM 549 O ARG A 36 0.514 12.722 1.451 1.00 0.00 O ATOM 550 CB ARG A 36 -1.604 13.624 3.616 1.00 0.00 C ATOM 551 CG ARG A 36 -1.839 14.391 2.320 1.00 0.00 C ATOM 552 CD ARG A 36 -2.705 13.616 1.342 1.00 0.00 C ATOM 553 NE ARG A 36 -4.070 13.444 1.831 1.00 0.00 N ATOM 554 CZ ARG A 36 -5.103 14.228 1.485 1.00 0.00 C ATOM 555 NH1 ARG A 36 -4.906 15.296 0.714 1.00 0.00 N ATOM 556 NH2 ARG A 36 -6.325 13.957 1.933 1.00 0.00 N ATOM 0 H ARG A 36 -0.779 12.411 5.571 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.305 11.596 2.925 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.571 13.347 4.036 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.124 14.291 4.332 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.315 15.345 2.546 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.880 14.615 1.854 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.727 14.138 0.386 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.260 12.638 1.161 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.251 12.677 2.479 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.967 15.521 0.384 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.694 15.889 0.453 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.479 13.152 2.541 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.109 14.554 1.669 1.00 0.00 H new ATOM 570 N HIS A 37 1.662 12.768 3.362 1.00 0.00 N ATOM 571 CA HIS A 37 2.925 13.045 2.696 1.00 0.00 C ATOM 572 C HIS A 37 3.808 11.797 2.719 1.00 0.00 C ATOM 573 O HIS A 37 4.909 11.780 2.174 1.00 0.00 O ATOM 574 CB HIS A 37 3.641 14.221 3.374 1.00 0.00 C ATOM 575 CG HIS A 37 4.836 14.727 2.619 1.00 0.00 C ATOM 576 ND1 HIS A 37 6.130 14.581 3.070 1.00 0.00 N ATOM 577 CD2 HIS A 37 4.926 15.381 1.438 1.00 0.00 C ATOM 578 CE1 HIS A 37 6.959 15.123 2.203 1.00 0.00 C ATOM 579 NE2 HIS A 37 6.254 15.614 1.202 1.00 0.00 N ATOM 0 H HIS A 37 1.726 12.687 4.377 1.00 0.00 H new ATOM 0 HA HIS A 37 2.726 13.317 1.660 1.00 0.00 H new ATOM 0 HB2 HIS A 37 2.932 15.039 3.502 1.00 0.00 H new ATOM 0 HB3 HIS A 37 3.957 13.914 4.371 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.103 15.666 0.800 1.00 0.00 H new ATOM 0 HE1 HIS A 37 8.034 15.160 2.296 1.00 0.00 H new ATOM 0 HE2 HIS A 37 6.636 16.090 0.385 1.00 0.00 H new ATOM 588 N THR A 38 3.309 10.751 3.346 1.00 0.00 N ATOM 589 CA THR A 38 4.021 9.504 3.443 1.00 0.00 C ATOM 590 C THR A 38 3.823 8.693 2.169 1.00 0.00 C ATOM 591 O THR A 38 2.705 8.536 1.706 1.00 0.00 O ATOM 592 CB THR A 38 3.543 8.695 4.670 1.00 0.00 C ATOM 593 OG1 THR A 38 4.064 9.279 5.871 1.00 0.00 O ATOM 594 CG2 THR A 38 3.973 7.242 4.576 1.00 0.00 C ATOM 0 H THR A 38 2.396 10.747 3.802 1.00 0.00 H new ATOM 0 HA THR A 38 5.082 9.719 3.568 1.00 0.00 H new ATOM 0 HB THR A 38 2.454 8.725 4.691 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.757 8.763 6.646 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.621 6.701 5.454 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.547 6.794 3.679 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.061 7.187 4.528 1.00 0.00 H new ATOM 602 N PRO A 39 4.912 8.174 1.592 1.00 0.00 N ATOM 603 CA PRO A 39 4.850 7.413 0.347 1.00 0.00 C ATOM 604 C PRO A 39 4.072 6.111 0.507 1.00 0.00 C ATOM 605 O PRO A 39 4.100 5.475 1.572 1.00 0.00 O ATOM 606 CB PRO A 39 6.321 7.132 0.021 1.00 0.00 C ATOM 607 CG PRO A 39 7.027 7.235 1.330 1.00 0.00 C ATOM 608 CD PRO A 39 6.279 8.264 2.123 1.00 0.00 C ATOM 0 HA PRO A 39 4.330 7.959 -0.440 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.447 6.143 -0.420 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.712 7.853 -0.697 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.035 6.275 1.846 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.067 7.530 1.190 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.310 8.049 3.191 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.699 9.261 1.986 1.00 0.00 H new ATOM 616 N LEU A 40 3.393 5.698 -0.556 1.00 0.00 N ATOM 617 CA LEU A 40 2.582 4.484 -0.541 1.00 0.00 C ATOM 618 C LEU A 40 3.445 3.252 -0.344 1.00 0.00 C ATOM 619 O LEU A 40 2.947 2.177 -0.023 1.00 0.00 O ATOM 620 CB LEU A 40 1.765 4.356 -1.824 1.00 0.00 C ATOM 621 CG LEU A 40 0.830 5.531 -2.144 1.00 0.00 C ATOM 622 CD1 LEU A 40 -0.084 5.181 -3.301 1.00 0.00 C ATOM 623 CD2 LEU A 40 0.016 5.933 -0.922 1.00 0.00 C ATOM 0 H LEU A 40 3.388 6.191 -1.449 1.00 0.00 H new ATOM 0 HA LEU A 40 1.894 4.559 0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.454 4.227 -2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.166 3.447 -1.761 1.00 0.00 H new ATOM 0 HG LEU A 40 1.445 6.383 -2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.740 6.025 -3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.516 4.955 -4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.686 4.311 -3.039 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.637 6.767 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.588 5.087 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.689 6.233 -0.119 1.00 0.00 H new ATOM 635 N SER A 41 4.747 3.412 -0.543 1.00 0.00 N ATOM 636 CA SER A 41 5.715 2.337 -0.386 1.00 0.00 C ATOM 637 C SER A 41 5.538 1.624 0.939 1.00 0.00 C ATOM 638 O SER A 41 5.642 0.399 1.015 1.00 0.00 O ATOM 639 CB SER A 41 7.118 2.914 -0.455 1.00 0.00 C ATOM 640 OG SER A 41 7.273 3.976 0.477 1.00 0.00 O ATOM 0 H SER A 41 5.164 4.301 -0.821 1.00 0.00 H new ATOM 0 HA SER A 41 5.557 1.616 -1.188 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.848 2.132 -0.247 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.318 3.277 -1.463 1.00 0.00 H new ATOM 0 HG SER A 41 8.184 4.333 0.418 1.00 0.00 H new ATOM 646 N LYS A 42 5.262 2.390 1.982 1.00 0.00 N ATOM 647 CA LYS A 42 5.083 1.845 3.308 1.00 0.00 C ATOM 648 C LYS A 42 3.989 0.788 3.330 1.00 0.00 C ATOM 649 O LYS A 42 4.219 -0.338 3.755 1.00 0.00 O ATOM 650 CB LYS A 42 4.764 2.964 4.291 1.00 0.00 C ATOM 651 CG LYS A 42 5.877 4.001 4.451 1.00 0.00 C ATOM 652 CD LYS A 42 7.106 3.415 5.145 1.00 0.00 C ATOM 653 CE LYS A 42 8.186 3.005 4.153 1.00 0.00 C ATOM 654 NZ LYS A 42 8.785 4.180 3.470 1.00 0.00 N ATOM 0 H LYS A 42 5.157 3.403 1.929 1.00 0.00 H new ATOM 0 HA LYS A 42 6.014 1.363 3.606 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.856 3.471 3.964 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.550 2.525 5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.161 4.383 3.470 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.504 4.848 5.027 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.513 4.149 5.840 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.809 2.548 5.735 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.967 2.451 4.674 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.760 2.331 3.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.820 4.081 3.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.426 4.236 2.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.529 5.048 3.983 1.00 0.00 H new ATOM 668 N LEU A 43 2.808 1.132 2.833 1.00 0.00 N ATOM 669 CA LEU A 43 1.702 0.187 2.811 1.00 0.00 C ATOM 670 C LEU A 43 1.896 -0.853 1.725 1.00 0.00 C ATOM 671 O LEU A 43 1.486 -1.997 1.867 1.00 0.00 O ATOM 672 CB LEU A 43 0.334 0.901 2.669 1.00 0.00 C ATOM 673 CG LEU A 43 0.103 1.781 1.419 1.00 0.00 C ATOM 674 CD1 LEU A 43 -0.169 0.942 0.174 1.00 0.00 C ATOM 675 CD2 LEU A 43 -1.054 2.721 1.663 1.00 0.00 C ATOM 0 H LEU A 43 2.593 2.050 2.443 1.00 0.00 H new ATOM 0 HA LEU A 43 1.696 -0.327 3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.445 0.139 2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.191 1.527 3.550 1.00 0.00 H new ATOM 0 HG LEU A 43 1.015 2.351 1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.326 1.600 -0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.684 0.292 -0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.060 0.334 0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.213 3.339 0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.955 2.143 1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.830 3.360 2.517 1.00 0.00 H new ATOM 687 N MET A 44 2.529 -0.447 0.631 1.00 0.00 N ATOM 688 CA MET A 44 2.760 -1.327 -0.500 1.00 0.00 C ATOM 689 C MET A 44 3.604 -2.522 -0.078 1.00 0.00 C ATOM 690 O MET A 44 3.260 -3.671 -0.350 1.00 0.00 O ATOM 691 CB MET A 44 3.445 -0.556 -1.629 1.00 0.00 C ATOM 692 CG MET A 44 3.386 -1.247 -2.978 1.00 0.00 C ATOM 693 SD MET A 44 4.185 -0.295 -4.281 1.00 0.00 S ATOM 694 CE MET A 44 3.124 1.149 -4.340 1.00 0.00 C ATOM 0 H MET A 44 2.894 0.497 0.506 1.00 0.00 H new ATOM 0 HA MET A 44 1.801 -1.697 -0.862 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.982 0.427 -1.716 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.489 -0.394 -1.362 1.00 0.00 H new ATOM 0 HG2 MET A 44 3.863 -2.224 -2.902 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.344 -1.421 -3.247 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.101 1.542 -5.356 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.115 0.872 -4.035 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.510 1.912 -3.664 1.00 0.00 H new ATOM 704 N LYS A 45 4.712 -2.252 0.591 1.00 0.00 N ATOM 705 CA LYS A 45 5.575 -3.310 1.084 1.00 0.00 C ATOM 706 C LYS A 45 4.911 -4.039 2.256 1.00 0.00 C ATOM 707 O LYS A 45 4.925 -5.266 2.323 1.00 0.00 O ATOM 708 CB LYS A 45 6.935 -2.743 1.520 1.00 0.00 C ATOM 709 CG LYS A 45 7.699 -2.014 0.421 1.00 0.00 C ATOM 710 CD LYS A 45 8.406 -2.984 -0.508 1.00 0.00 C ATOM 711 CE LYS A 45 9.058 -2.263 -1.679 1.00 0.00 C ATOM 712 NZ LYS A 45 10.092 -1.287 -1.244 1.00 0.00 N ATOM 0 H LYS A 45 5.035 -1.308 0.805 1.00 0.00 H new ATOM 0 HA LYS A 45 5.738 -4.020 0.274 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.778 -2.057 2.352 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.552 -3.560 1.893 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.009 -1.396 -0.154 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.430 -1.342 0.870 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.164 -3.535 0.049 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.691 -3.716 -0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.513 -2.996 -2.345 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.291 -1.743 -2.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.493 -0.811 -2.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.659 -0.580 -0.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.848 -1.787 -0.734 1.00 0.00 H new ATOM 726 N ALA A 46 4.291 -3.269 3.165 1.00 0.00 N ATOM 727 CA ALA A 46 3.660 -3.823 4.378 1.00 0.00 C ATOM 728 C ALA A 46 2.550 -4.808 4.041 1.00 0.00 C ATOM 729 O ALA A 46 2.470 -5.887 4.624 1.00 0.00 O ATOM 730 CB ALA A 46 3.121 -2.710 5.263 1.00 0.00 C ATOM 0 H ALA A 46 4.212 -2.255 3.083 1.00 0.00 H new ATOM 0 HA ALA A 46 4.433 -4.365 4.922 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.660 -3.142 6.151 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.939 -2.054 5.561 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.377 -2.135 4.712 1.00 0.00 H new ATOM 736 N TYR A 47 1.687 -4.432 3.103 1.00 0.00 N ATOM 737 CA TYR A 47 0.602 -5.294 2.652 1.00 0.00 C ATOM 738 C TYR A 47 1.145 -6.639 2.217 1.00 0.00 C ATOM 739 O TYR A 47 0.671 -7.681 2.652 1.00 0.00 O ATOM 740 CB TYR A 47 -0.164 -4.622 1.488 1.00 0.00 C ATOM 741 CG TYR A 47 -1.084 -5.551 0.705 1.00 0.00 C ATOM 742 CD1 TYR A 47 -0.616 -6.254 -0.407 1.00 0.00 C ATOM 743 CD2 TYR A 47 -2.416 -5.715 1.066 1.00 0.00 C ATOM 744 CE1 TYR A 47 -1.448 -7.089 -1.125 1.00 0.00 C ATOM 745 CE2 TYR A 47 -3.255 -6.549 0.349 1.00 0.00 C ATOM 746 CZ TYR A 47 -2.765 -7.235 -0.746 1.00 0.00 C ATOM 747 OH TYR A 47 -3.595 -8.064 -1.466 1.00 0.00 O ATOM 0 H TYR A 47 1.720 -3.526 2.636 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.088 -5.450 3.481 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.757 -3.800 1.889 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.560 -4.186 0.799 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.414 -6.142 -0.710 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.803 -5.182 1.922 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.068 -7.626 -1.981 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.288 -6.663 0.643 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.462 -8.132 -1.014 1.00 0.00 H new ATOM 757 N CYS A 48 2.160 -6.616 1.392 1.00 0.00 N ATOM 758 CA CYS A 48 2.755 -7.829 0.885 1.00 0.00 C ATOM 759 C CYS A 48 3.431 -8.624 2.002 1.00 0.00 C ATOM 760 O CYS A 48 3.422 -9.852 1.991 1.00 0.00 O ATOM 761 CB CYS A 48 3.730 -7.486 -0.214 1.00 0.00 C ATOM 762 SG CYS A 48 3.006 -6.435 -1.480 1.00 0.00 S ATOM 0 H CYS A 48 2.597 -5.759 1.053 1.00 0.00 H new ATOM 0 HA CYS A 48 1.970 -8.465 0.475 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.596 -6.984 0.218 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.091 -8.406 -0.674 1.00 0.00 H new ATOM 0 HG CYS A 48 3.952 -5.823 -2.129 1.00 0.00 H new ATOM 768 N GLU A 49 4.003 -7.920 2.975 1.00 0.00 N ATOM 769 CA GLU A 49 4.629 -8.548 4.132 1.00 0.00 C ATOM 770 C GLU A 49 3.631 -9.423 4.886 1.00 0.00 C ATOM 771 O GLU A 49 3.897 -10.584 5.188 1.00 0.00 O ATOM 772 CB GLU A 49 5.161 -7.473 5.079 1.00 0.00 C ATOM 773 CG GLU A 49 6.335 -6.695 4.537 1.00 0.00 C ATOM 774 CD GLU A 49 7.593 -7.515 4.468 1.00 0.00 C ATOM 775 OE1 GLU A 49 8.140 -7.861 5.536 1.00 0.00 O ATOM 776 OE2 GLU A 49 8.061 -7.797 3.349 1.00 0.00 O ATOM 0 H GLU A 49 4.045 -6.901 2.983 1.00 0.00 H new ATOM 0 HA GLU A 49 5.448 -9.173 3.776 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.354 -6.777 5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.454 -7.944 6.017 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.092 -6.326 3.541 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.509 -5.822 5.167 1.00 0.00 H new ATOM 783 N ARG A 50 2.466 -8.864 5.169 1.00 0.00 N ATOM 784 CA ARG A 50 1.443 -9.557 5.940 1.00 0.00 C ATOM 785 C ARG A 50 0.579 -10.478 5.078 1.00 0.00 C ATOM 786 O ARG A 50 0.018 -11.451 5.574 1.00 0.00 O ATOM 787 CB ARG A 50 0.562 -8.543 6.691 1.00 0.00 C ATOM 788 CG ARG A 50 0.189 -7.322 5.859 1.00 0.00 C ATOM 789 CD ARG A 50 -0.729 -6.371 6.608 1.00 0.00 C ATOM 790 NE ARG A 50 -0.247 -6.061 7.960 1.00 0.00 N ATOM 791 CZ ARG A 50 -1.012 -6.092 9.062 1.00 0.00 C ATOM 792 NH1 ARG A 50 -2.290 -6.460 8.988 1.00 0.00 N ATOM 793 NH2 ARG A 50 -0.489 -5.771 10.239 1.00 0.00 N ATOM 0 H ARG A 50 2.202 -7.924 4.874 1.00 0.00 H new ATOM 0 HA ARG A 50 1.961 -10.191 6.660 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.351 -9.041 7.019 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.086 -8.214 7.588 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.096 -6.793 5.568 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.300 -7.647 4.940 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.826 -5.445 6.041 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.724 -6.811 6.674 1.00 0.00 H new ATOM 0 HE ARG A 50 0.734 -5.805 8.069 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.694 -6.721 8.089 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.864 -6.481 9.831 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.493 -5.501 10.304 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.069 -5.794 11.078 1.00 0.00 H new ATOM 807 N GLN A 51 0.478 -10.192 3.788 1.00 0.00 N ATOM 808 CA GLN A 51 -0.385 -10.985 2.904 1.00 0.00 C ATOM 809 C GLN A 51 0.383 -12.073 2.173 1.00 0.00 C ATOM 810 O GLN A 51 -0.206 -12.961 1.563 1.00 0.00 O ATOM 811 CB GLN A 51 -1.125 -10.089 1.913 1.00 0.00 C ATOM 812 CG GLN A 51 -2.086 -9.125 2.585 1.00 0.00 C ATOM 813 CD GLN A 51 -3.024 -9.828 3.544 1.00 0.00 C ATOM 814 OE1 GLN A 51 -4.118 -10.238 3.177 1.00 0.00 O ATOM 815 NE2 GLN A 51 -2.590 -9.975 4.780 1.00 0.00 N ATOM 0 H GLN A 51 0.973 -9.428 3.328 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.119 -11.480 3.540 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.398 -9.522 1.332 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.678 -10.713 1.211 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.519 -8.366 3.125 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.669 -8.606 1.824 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.672 -9.618 5.044 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.173 -10.446 5.473 1.00 0.00 H new ATOM 824 N GLY A 52 1.695 -12.008 2.236 1.00 0.00 N ATOM 825 CA GLY A 52 2.521 -13.013 1.586 1.00 0.00 C ATOM 826 C GLY A 52 2.537 -12.879 0.071 1.00 0.00 C ATOM 827 O GLY A 52 2.420 -13.869 -0.651 1.00 0.00 O ATOM 0 H GLY A 52 2.213 -11.278 2.725 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.541 -12.936 1.963 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.156 -14.004 1.854 1.00 0.00 H new ATOM 831 N LEU A 53 2.689 -11.660 -0.418 1.00 0.00 N ATOM 832 CA LEU A 53 2.736 -11.413 -1.857 1.00 0.00 C ATOM 833 C LEU A 53 4.108 -10.901 -2.270 1.00 0.00 C ATOM 834 O LEU A 53 4.830 -10.309 -1.465 1.00 0.00 O ATOM 835 CB LEU A 53 1.652 -10.411 -2.298 1.00 0.00 C ATOM 836 CG LEU A 53 0.247 -10.981 -2.592 1.00 0.00 C ATOM 837 CD1 LEU A 53 0.321 -12.177 -3.530 1.00 0.00 C ATOM 838 CD2 LEU A 53 -0.483 -11.344 -1.314 1.00 0.00 C ATOM 0 H LEU A 53 2.782 -10.823 0.157 1.00 0.00 H new ATOM 0 HA LEU A 53 2.543 -12.364 -2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.554 -9.654 -1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.006 -9.903 -3.195 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.323 -10.197 -3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.684 -12.555 -3.717 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.776 -11.872 -4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.924 -12.961 -3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.468 -11.742 -1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.088 -12.097 -0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.594 -10.455 -0.693 1.00 0.00 H new ATOM 850 N SER A 54 4.482 -11.145 -3.513 1.00 0.00 N ATOM 851 CA SER A 54 5.759 -10.714 -4.027 1.00 0.00 C ATOM 852 C SER A 54 5.632 -9.383 -4.764 1.00 0.00 C ATOM 853 O SER A 54 4.837 -9.251 -5.689 1.00 0.00 O ATOM 854 CB SER A 54 6.312 -11.783 -4.955 1.00 0.00 C ATOM 855 OG SER A 54 6.553 -12.991 -4.253 1.00 0.00 O ATOM 0 H SER A 54 3.907 -11.647 -4.189 1.00 0.00 H new ATOM 0 HA SER A 54 6.444 -10.566 -3.192 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.608 -11.964 -5.767 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.238 -11.431 -5.409 1.00 0.00 H new ATOM 0 HG SER A 54 6.689 -13.720 -4.894 1.00 0.00 H new ATOM 861 N MET A 55 6.444 -8.410 -4.364 1.00 0.00 N ATOM 862 CA MET A 55 6.417 -7.059 -4.948 1.00 0.00 C ATOM 863 C MET A 55 6.753 -7.096 -6.446 1.00 0.00 C ATOM 864 O MET A 55 6.342 -6.228 -7.206 1.00 0.00 O ATOM 865 CB MET A 55 7.437 -6.139 -4.238 1.00 0.00 C ATOM 866 CG MET A 55 7.359 -6.126 -2.719 1.00 0.00 C ATOM 867 SD MET A 55 5.877 -5.326 -2.085 1.00 0.00 S ATOM 868 CE MET A 55 5.924 -3.753 -2.940 1.00 0.00 C ATOM 0 H MET A 55 7.140 -8.528 -3.628 1.00 0.00 H new ATOM 0 HA MET A 55 5.408 -6.669 -4.813 1.00 0.00 H new ATOM 0 HB2 MET A 55 8.441 -6.445 -4.530 1.00 0.00 H new ATOM 0 HB3 MET A 55 7.296 -5.121 -4.601 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.394 -7.152 -2.352 1.00 0.00 H new ATOM 0 HG3 MET A 55 8.236 -5.615 -2.322 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.654 -2.955 -2.249 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.929 -3.577 -3.323 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.218 -3.769 -3.770 1.00 0.00 H new ATOM 878 N ARG A 56 7.513 -8.105 -6.864 1.00 0.00 N ATOM 879 CA ARG A 56 7.927 -8.224 -8.263 1.00 0.00 C ATOM 880 C ARG A 56 6.840 -8.867 -9.106 1.00 0.00 C ATOM 881 O ARG A 56 6.729 -8.611 -10.303 1.00 0.00 O ATOM 882 CB ARG A 56 9.234 -9.029 -8.396 1.00 0.00 C ATOM 883 CG ARG A 56 10.419 -8.421 -7.663 1.00 0.00 C ATOM 884 CD ARG A 56 10.494 -8.890 -6.219 1.00 0.00 C ATOM 885 NE ARG A 56 11.024 -10.255 -6.101 1.00 0.00 N ATOM 886 CZ ARG A 56 11.781 -10.686 -5.081 1.00 0.00 C ATOM 887 NH1 ARG A 56 12.117 -9.859 -4.097 1.00 0.00 N ATOM 888 NH2 ARG A 56 12.201 -11.941 -5.050 1.00 0.00 N ATOM 0 H ARG A 56 7.855 -8.851 -6.258 1.00 0.00 H new ATOM 0 HA ARG A 56 8.103 -7.213 -8.630 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.066 -10.038 -8.018 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.484 -9.122 -9.453 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.341 -8.688 -8.180 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.342 -7.334 -7.688 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.126 -8.207 -5.650 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.500 -8.849 -5.774 1.00 0.00 H new ATOM 0 HE ARG A 56 10.802 -10.918 -6.843 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.799 -8.890 -4.114 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.693 -10.193 -3.324 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.949 -12.582 -5.802 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.777 -12.267 -4.274 1.00 0.00 H new ATOM 902 N GLN A 57 6.052 -9.723 -8.488 1.00 0.00 N ATOM 903 CA GLN A 57 4.977 -10.396 -9.187 1.00 0.00 C ATOM 904 C GLN A 57 3.714 -9.570 -9.179 1.00 0.00 C ATOM 905 O GLN A 57 3.064 -9.406 -10.201 1.00 0.00 O ATOM 906 CB GLN A 57 4.716 -11.777 -8.582 1.00 0.00 C ATOM 907 CG GLN A 57 5.700 -12.835 -9.036 1.00 0.00 C ATOM 908 CD GLN A 57 6.760 -13.109 -8.012 1.00 0.00 C ATOM 909 OE1 GLN A 57 6.622 -14.001 -7.185 1.00 0.00 O ATOM 910 NE2 GLN A 57 7.813 -12.330 -8.044 1.00 0.00 N ATOM 0 H GLN A 57 6.136 -9.969 -7.502 1.00 0.00 H new ATOM 0 HA GLN A 57 5.288 -10.525 -10.224 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.753 -11.701 -7.495 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.707 -12.095 -8.845 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.162 -13.758 -9.253 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.171 -12.514 -9.965 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.885 -11.599 -8.752 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.560 -12.454 -7.361 1.00 0.00 H new ATOM 919 N ILE A 58 3.358 -9.024 -8.041 1.00 0.00 N ATOM 920 CA ILE A 58 2.131 -8.275 -7.946 1.00 0.00 C ATOM 921 C ILE A 58 2.327 -6.840 -8.385 1.00 0.00 C ATOM 922 O ILE A 58 3.443 -6.400 -8.644 1.00 0.00 O ATOM 923 CB ILE A 58 1.565 -8.296 -6.514 1.00 0.00 C ATOM 924 CG1 ILE A 58 2.327 -7.330 -5.610 1.00 0.00 C ATOM 925 CG2 ILE A 58 1.645 -9.707 -5.953 1.00 0.00 C ATOM 926 CD1 ILE A 58 1.639 -7.083 -4.295 1.00 0.00 C ATOM 0 H ILE A 58 3.895 -9.084 -7.176 1.00 0.00 H new ATOM 0 HA ILE A 58 1.417 -8.757 -8.614 1.00 0.00 H new ATOM 0 HB ILE A 58 0.523 -7.977 -6.549 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.324 -7.728 -5.422 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.455 -6.381 -6.130 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.244 -9.719 -4.940 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.064 -10.382 -6.581 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.685 -10.033 -5.935 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.231 -6.388 -3.699 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.652 -6.657 -4.475 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.534 -8.025 -3.757 1.00 0.00 H new ATOM 938 N ARG A 59 1.240 -6.104 -8.474 1.00 0.00 N ATOM 939 CA ARG A 59 1.316 -4.723 -8.852 1.00 0.00 C ATOM 940 C ARG A 59 0.169 -3.949 -8.247 1.00 0.00 C ATOM 941 O ARG A 59 -0.976 -4.421 -8.209 1.00 0.00 O ATOM 942 CB ARG A 59 1.332 -4.557 -10.375 1.00 0.00 C ATOM 943 CG ARG A 59 1.845 -3.199 -10.835 1.00 0.00 C ATOM 944 CD ARG A 59 3.297 -2.993 -10.415 1.00 0.00 C ATOM 945 NE ARG A 59 3.783 -1.655 -10.740 1.00 0.00 N ATOM 946 CZ ARG A 59 4.960 -1.163 -10.338 1.00 0.00 C ATOM 947 NH1 ARG A 59 5.785 -1.912 -9.605 1.00 0.00 N ATOM 948 NH2 ARG A 59 5.309 0.071 -10.673 1.00 0.00 N ATOM 0 H ARG A 59 0.297 -6.445 -8.288 1.00 0.00 H new ATOM 0 HA ARG A 59 2.254 -4.323 -8.466 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.955 -5.338 -10.811 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.322 -4.704 -10.759 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.762 -3.123 -11.919 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.225 -2.409 -10.412 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.390 -3.160 -9.342 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.925 -3.735 -10.909 1.00 0.00 H new ATOM 0 HE ARG A 59 3.186 -1.057 -11.311 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.519 -2.863 -9.349 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.682 -1.534 -9.300 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.680 0.644 -11.236 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.206 0.448 -10.367 1.00 0.00 H new ATOM 962 N PHE A 60 0.485 -2.776 -7.747 1.00 0.00 N ATOM 963 CA PHE A 60 -0.487 -1.891 -7.156 1.00 0.00 C ATOM 964 C PHE A 60 -1.025 -0.934 -8.207 1.00 0.00 C ATOM 965 O PHE A 60 -0.262 -0.358 -8.994 1.00 0.00 O ATOM 966 CB PHE A 60 0.155 -1.097 -6.015 1.00 0.00 C ATOM 967 CG PHE A 60 0.216 -1.823 -4.699 1.00 0.00 C ATOM 968 CD1 PHE A 60 0.873 -3.041 -4.576 1.00 0.00 C ATOM 969 CD2 PHE A 60 -0.381 -1.275 -3.578 1.00 0.00 C ATOM 970 CE1 PHE A 60 0.922 -3.693 -3.360 1.00 0.00 C ATOM 971 CE2 PHE A 60 -0.333 -1.922 -2.363 1.00 0.00 C ATOM 972 CZ PHE A 60 0.317 -3.131 -2.252 1.00 0.00 C ATOM 0 H PHE A 60 1.436 -2.407 -7.740 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.310 -2.485 -6.759 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.167 -0.820 -6.309 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.402 -0.170 -5.877 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.350 -3.482 -5.439 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.892 -0.327 -3.657 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.432 -4.641 -3.275 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.805 -1.481 -1.497 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.354 -3.639 -1.300 1.00 0.00 H new ATOM 982 N ARG A 61 -2.323 -0.767 -8.237 1.00 0.00 N ATOM 983 CA ARG A 61 -2.951 0.125 -9.187 1.00 0.00 C ATOM 984 C ARG A 61 -4.080 0.901 -8.524 1.00 0.00 C ATOM 985 O ARG A 61 -4.831 0.362 -7.716 1.00 0.00 O ATOM 986 CB ARG A 61 -3.478 -0.667 -10.385 1.00 0.00 C ATOM 987 CG ARG A 61 -4.173 0.183 -11.434 1.00 0.00 C ATOM 988 CD ARG A 61 -4.762 -0.668 -12.542 1.00 0.00 C ATOM 989 NE ARG A 61 -3.734 -1.377 -13.306 1.00 0.00 N ATOM 990 CZ ARG A 61 -3.998 -2.264 -14.273 1.00 0.00 C ATOM 991 NH1 ARG A 61 -5.261 -2.551 -14.592 1.00 0.00 N ATOM 992 NH2 ARG A 61 -3.002 -2.858 -14.917 1.00 0.00 N ATOM 0 H ARG A 61 -2.973 -1.240 -7.610 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.206 0.838 -9.540 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.646 -1.194 -10.853 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.175 -1.425 -10.027 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.964 0.767 -10.964 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.462 0.892 -11.858 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.455 -1.391 -12.112 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.339 -0.035 -13.215 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.757 -1.183 -13.088 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.028 -2.094 -14.099 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.460 -3.227 -15.329 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.036 -2.639 -14.675 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.202 -3.534 -15.654 1.00 0.00 H new ATOM 1006 N PHE A 62 -4.190 2.167 -8.854 1.00 0.00 N ATOM 1007 CA PHE A 62 -5.225 3.013 -8.305 1.00 0.00 C ATOM 1008 C PHE A 62 -5.658 4.016 -9.354 1.00 0.00 C ATOM 1009 O PHE A 62 -4.826 4.543 -10.076 1.00 0.00 O ATOM 1010 CB PHE A 62 -4.701 3.745 -7.061 1.00 0.00 C ATOM 1011 CG PHE A 62 -5.730 4.609 -6.385 1.00 0.00 C ATOM 1012 CD1 PHE A 62 -6.569 4.079 -5.426 1.00 0.00 C ATOM 1013 CD2 PHE A 62 -5.857 5.950 -6.714 1.00 0.00 C ATOM 1014 CE1 PHE A 62 -7.514 4.867 -4.805 1.00 0.00 C ATOM 1015 CE2 PHE A 62 -6.803 6.742 -6.094 1.00 0.00 C ATOM 1016 CZ PHE A 62 -7.631 6.199 -5.138 1.00 0.00 C ATOM 0 H PHE A 62 -3.566 2.639 -9.509 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.079 2.401 -8.015 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.332 3.009 -6.346 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.851 4.365 -7.347 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.484 3.036 -5.159 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.209 6.380 -7.463 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.164 4.440 -4.056 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.893 7.785 -6.359 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.371 6.816 -4.650 1.00 0.00 H new ATOM 1026 N ASP A 63 -6.968 4.253 -9.470 1.00 0.00 N ATOM 1027 CA ASP A 63 -7.525 5.224 -10.435 1.00 0.00 C ATOM 1028 C ASP A 63 -7.303 4.740 -11.858 1.00 0.00 C ATOM 1029 O ASP A 63 -7.278 5.519 -12.814 1.00 0.00 O ATOM 1030 CB ASP A 63 -6.881 6.600 -10.247 1.00 0.00 C ATOM 1031 CG ASP A 63 -7.775 7.735 -10.713 1.00 0.00 C ATOM 1032 OD1 ASP A 63 -8.844 7.942 -10.104 1.00 0.00 O ATOM 1033 OD2 ASP A 63 -7.404 8.437 -11.685 1.00 0.00 O ATOM 0 H ASP A 63 -7.675 3.783 -8.904 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.596 5.311 -10.252 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.639 6.742 -9.194 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.941 6.635 -10.797 1.00 0.00 H new ATOM 1038 N GLY A 64 -7.163 3.437 -12.004 1.00 0.00 N ATOM 1039 CA GLY A 64 -6.933 2.862 -13.299 1.00 0.00 C ATOM 1040 C GLY A 64 -5.498 3.010 -13.746 1.00 0.00 C ATOM 1041 O GLY A 64 -5.130 2.574 -14.836 1.00 0.00 O ATOM 0 H GLY A 64 -7.206 2.764 -11.239 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.197 1.805 -13.276 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.589 3.339 -14.027 1.00 0.00 H new ATOM 1045 N GLN A 65 -4.665 3.612 -12.905 1.00 0.00 N ATOM 1046 CA GLN A 65 -3.267 3.803 -13.243 1.00 0.00 C ATOM 1047 C GLN A 65 -2.368 3.085 -12.239 1.00 0.00 C ATOM 1048 O GLN A 65 -2.569 3.189 -11.027 1.00 0.00 O ATOM 1049 CB GLN A 65 -2.916 5.295 -13.316 1.00 0.00 C ATOM 1050 CG GLN A 65 -3.291 6.068 -12.071 1.00 0.00 C ATOM 1051 CD GLN A 65 -2.787 7.488 -12.073 1.00 0.00 C ATOM 1052 OE1 GLN A 65 -2.651 8.119 -13.123 1.00 0.00 O ATOM 1053 NE2 GLN A 65 -2.494 7.997 -10.898 1.00 0.00 N ATOM 0 H GLN A 65 -4.935 3.973 -11.990 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.096 3.370 -14.229 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.845 5.399 -13.489 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.422 5.737 -14.174 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.376 6.076 -11.970 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.894 5.551 -11.198 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.622 7.439 -10.054 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.138 8.951 -10.830 1.00 0.00 H new ATOM 1062 N PRO A 66 -1.384 2.318 -12.726 1.00 0.00 N ATOM 1063 CA PRO A 66 -0.445 1.611 -11.860 1.00 0.00 C ATOM 1064 C PRO A 66 0.401 2.584 -11.051 1.00 0.00 C ATOM 1065 O PRO A 66 0.852 3.614 -11.566 1.00 0.00 O ATOM 1066 CB PRO A 66 0.432 0.815 -12.832 1.00 0.00 C ATOM 1067 CG PRO A 66 0.266 1.493 -14.149 1.00 0.00 C ATOM 1068 CD PRO A 66 -1.116 2.077 -14.153 1.00 0.00 C ATOM 0 HA PRO A 66 -0.953 0.979 -11.131 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.475 0.819 -12.515 1.00 0.00 H new ATOM 0 HB3 PRO A 66 0.118 -0.228 -12.883 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.017 2.272 -14.282 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.391 0.785 -14.969 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.162 2.999 -14.733 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.842 1.390 -14.589 1.00 0.00 H new ATOM 1076 N ILE A 67 0.615 2.274 -9.793 1.00 0.00 N ATOM 1077 CA ILE A 67 1.378 3.144 -8.922 1.00 0.00 C ATOM 1078 C ILE A 67 2.707 2.510 -8.535 1.00 0.00 C ATOM 1079 O ILE A 67 2.939 1.319 -8.769 1.00 0.00 O ATOM 1080 CB ILE A 67 0.577 3.542 -7.657 1.00 0.00 C ATOM 1081 CG1 ILE A 67 0.006 2.300 -6.962 1.00 0.00 C ATOM 1082 CG2 ILE A 67 -0.535 4.521 -8.023 1.00 0.00 C ATOM 1083 CD1 ILE A 67 -0.889 2.613 -5.779 1.00 0.00 C ATOM 0 H ILE A 67 0.271 1.424 -9.347 1.00 0.00 H new ATOM 0 HA ILE A 67 1.583 4.055 -9.484 1.00 0.00 H new ATOM 0 HB ILE A 67 1.253 4.035 -6.958 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.560 1.717 -7.689 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.831 1.673 -6.624 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.090 4.793 -7.125 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.100 5.417 -8.466 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.210 4.053 -8.740 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.253 1.683 -5.342 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.323 3.168 -5.031 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.736 3.213 -6.112 1.00 0.00 H new ATOM 1095 N ASN A 68 3.578 3.307 -7.953 1.00 0.00 N ATOM 1096 CA ASN A 68 4.909 2.865 -7.564 1.00 0.00 C ATOM 1097 C ASN A 68 5.224 3.261 -6.144 1.00 0.00 C ATOM 1098 O ASN A 68 4.654 4.198 -5.618 1.00 0.00 O ATOM 1099 CB ASN A 68 5.982 3.433 -8.504 1.00 0.00 C ATOM 1100 CG ASN A 68 5.697 4.846 -9.023 1.00 0.00 C ATOM 1101 OD1 ASN A 68 6.047 5.178 -10.154 1.00 0.00 O ATOM 1102 ND2 ASN A 68 5.092 5.687 -8.205 1.00 0.00 N ATOM 0 H ASN A 68 3.386 4.284 -7.734 1.00 0.00 H new ATOM 0 HA ASN A 68 4.917 1.777 -7.637 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.938 3.439 -7.980 1.00 0.00 H new ATOM 0 HB3 ASN A 68 6.090 2.763 -9.357 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.902 6.643 -8.505 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.814 5.381 -7.273 1.00 0.00 H new ATOM 1109 N GLU A 69 6.181 2.576 -5.532 1.00 0.00 N ATOM 1110 CA GLU A 69 6.553 2.842 -4.144 1.00 0.00 C ATOM 1111 C GLU A 69 7.114 4.261 -3.971 1.00 0.00 C ATOM 1112 O GLU A 69 7.315 4.735 -2.855 1.00 0.00 O ATOM 1113 CB GLU A 69 7.581 1.814 -3.650 1.00 0.00 C ATOM 1114 CG GLU A 69 8.988 2.032 -4.185 1.00 0.00 C ATOM 1115 CD GLU A 69 10.033 1.314 -3.359 1.00 0.00 C ATOM 1116 OE1 GLU A 69 10.252 0.112 -3.584 1.00 0.00 O ATOM 1117 OE2 GLU A 69 10.638 1.952 -2.469 1.00 0.00 O ATOM 0 H GLU A 69 6.717 1.829 -5.974 1.00 0.00 H new ATOM 0 HA GLU A 69 5.646 2.758 -3.545 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.610 1.841 -2.561 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.246 0.817 -3.935 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.040 1.683 -5.216 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.208 3.099 -4.198 1.00 0.00 H new ATOM 1124 N THR A 70 7.363 4.939 -5.070 1.00 0.00 N ATOM 1125 CA THR A 70 7.920 6.263 -5.018 1.00 0.00 C ATOM 1126 C THR A 70 6.834 7.343 -5.194 1.00 0.00 C ATOM 1127 O THR A 70 7.139 8.528 -5.361 1.00 0.00 O ATOM 1128 CB THR A 70 9.043 6.436 -6.074 1.00 0.00 C ATOM 1129 OG1 THR A 70 9.721 7.682 -5.889 1.00 0.00 O ATOM 1130 CG2 THR A 70 8.483 6.362 -7.489 1.00 0.00 C ATOM 0 H THR A 70 7.186 4.589 -6.012 1.00 0.00 H new ATOM 0 HA THR A 70 8.358 6.393 -4.028 1.00 0.00 H new ATOM 0 HB THR A 70 9.752 5.620 -5.938 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.076 8.369 -5.620 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.293 6.487 -8.208 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.008 5.393 -7.642 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.747 7.153 -7.631 1.00 0.00 H new ATOM 1138 N ASP A 71 5.559 6.946 -5.145 1.00 0.00 N ATOM 1139 CA ASP A 71 4.474 7.919 -5.274 1.00 0.00 C ATOM 1140 C ASP A 71 3.903 8.276 -3.902 1.00 0.00 C ATOM 1141 O ASP A 71 4.059 7.524 -2.930 1.00 0.00 O ATOM 1142 CB ASP A 71 3.360 7.407 -6.206 1.00 0.00 C ATOM 1143 CG ASP A 71 2.233 6.711 -5.492 1.00 0.00 C ATOM 1144 OD1 ASP A 71 2.328 5.497 -5.284 1.00 0.00 O ATOM 1145 OD2 ASP A 71 1.232 7.386 -5.177 1.00 0.00 O ATOM 0 H ASP A 71 5.258 5.979 -5.020 1.00 0.00 H new ATOM 0 HA ASP A 71 4.893 8.820 -5.723 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.955 8.249 -6.767 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.795 6.720 -6.932 1.00 0.00 H new ATOM 1150 N THR A 72 3.273 9.436 -3.816 1.00 0.00 N ATOM 1151 CA THR A 72 2.688 9.896 -2.574 1.00 0.00 C ATOM 1152 C THR A 72 1.183 10.125 -2.737 1.00 0.00 C ATOM 1153 O THR A 72 0.728 10.535 -3.812 1.00 0.00 O ATOM 1154 CB THR A 72 3.351 11.210 -2.106 1.00 0.00 C ATOM 1155 OG1 THR A 72 3.114 12.244 -3.072 1.00 0.00 O ATOM 1156 CG2 THR A 72 4.851 11.027 -1.932 1.00 0.00 C ATOM 0 H THR A 72 3.155 10.078 -4.600 1.00 0.00 H new ATOM 0 HA THR A 72 2.858 9.123 -1.825 1.00 0.00 H new ATOM 0 HB THR A 72 2.915 11.489 -1.147 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.535 13.076 -2.770 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.296 11.966 -1.602 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.039 10.254 -1.187 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.294 10.730 -2.883 1.00 0.00 H new ATOM 1164 N PRO A 73 0.393 9.900 -1.660 1.00 0.00 N ATOM 1165 CA PRO A 73 -1.070 10.055 -1.695 1.00 0.00 C ATOM 1166 C PRO A 73 -1.495 11.497 -1.965 1.00 0.00 C ATOM 1167 O PRO A 73 -2.620 11.762 -2.380 1.00 0.00 O ATOM 1168 CB PRO A 73 -1.515 9.622 -0.289 1.00 0.00 C ATOM 1169 CG PRO A 73 -0.307 9.792 0.560 1.00 0.00 C ATOM 1170 CD PRO A 73 0.863 9.480 -0.330 1.00 0.00 C ATOM 0 HA PRO A 73 -1.519 9.469 -2.497 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.341 10.235 0.071 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.860 8.588 -0.284 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.242 10.808 0.950 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.335 9.122 1.419 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.756 10.026 -0.027 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.115 8.420 -0.308 1.00 0.00 H new ATOM 1178 N ALA A 74 -0.591 12.429 -1.744 1.00 0.00 N ATOM 1179 CA ALA A 74 -0.878 13.832 -1.956 1.00 0.00 C ATOM 1180 C ALA A 74 -0.788 14.193 -3.433 1.00 0.00 C ATOM 1181 O ALA A 74 -1.444 15.123 -3.899 1.00 0.00 O ATOM 1182 CB ALA A 74 0.076 14.691 -1.142 1.00 0.00 C ATOM 0 H ALA A 74 0.355 12.238 -1.415 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.898 14.025 -1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.150 15.744 -1.310 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.039 14.459 -0.083 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.102 14.486 -1.449 1.00 0.00 H new ATOM 1188 N GLN A 75 0.003 13.431 -4.175 1.00 0.00 N ATOM 1189 CA GLN A 75 0.235 13.704 -5.585 1.00 0.00 C ATOM 1190 C GLN A 75 -0.982 13.344 -6.425 1.00 0.00 C ATOM 1191 O GLN A 75 -1.521 14.172 -7.163 1.00 0.00 O ATOM 1192 CB GLN A 75 1.435 12.903 -6.062 1.00 0.00 C ATOM 1193 CG GLN A 75 1.960 13.316 -7.421 1.00 0.00 C ATOM 1194 CD GLN A 75 3.232 12.581 -7.794 1.00 0.00 C ATOM 1195 OE1 GLN A 75 4.084 13.117 -8.498 1.00 0.00 O ATOM 1196 NE2 GLN A 75 3.370 11.351 -7.326 1.00 0.00 N ATOM 0 H GLN A 75 0.498 12.613 -3.820 1.00 0.00 H new ATOM 0 HA GLN A 75 0.425 14.771 -5.701 1.00 0.00 H new ATOM 0 HB2 GLN A 75 2.237 13.002 -5.330 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.163 11.848 -6.096 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.198 13.124 -8.176 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.149 14.389 -7.424 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.639 10.942 -6.744 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.207 10.812 -7.547 1.00 0.00 H new ATOM 1205 N LEU A 76 -1.418 12.104 -6.312 1.00 0.00 N ATOM 1206 CA LEU A 76 -2.561 11.643 -7.085 1.00 0.00 C ATOM 1207 C LEU A 76 -3.883 12.050 -6.433 1.00 0.00 C ATOM 1208 O LEU A 76 -4.961 11.810 -6.980 1.00 0.00 O ATOM 1209 CB LEU A 76 -2.488 10.113 -7.399 1.00 0.00 C ATOM 1210 CG LEU A 76 -2.693 9.089 -6.248 1.00 0.00 C ATOM 1211 CD1 LEU A 76 -1.862 9.408 -5.028 1.00 0.00 C ATOM 1212 CD2 LEU A 76 -4.157 8.934 -5.889 1.00 0.00 C ATOM 0 H LEU A 76 -1.004 11.401 -5.699 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.520 12.147 -8.050 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.235 9.900 -8.164 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.512 9.916 -7.843 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.339 8.131 -6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.046 8.660 -4.257 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.805 9.401 -5.296 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.134 10.393 -4.650 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.259 8.210 -5.081 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.556 9.896 -5.567 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.710 8.585 -6.761 1.00 0.00 H new ATOM 1224 N GLU A 77 -3.783 12.695 -5.262 1.00 0.00 N ATOM 1225 CA GLU A 77 -4.948 13.182 -4.513 1.00 0.00 C ATOM 1226 C GLU A 77 -5.779 12.019 -3.990 1.00 0.00 C ATOM 1227 O GLU A 77 -6.932 11.816 -4.373 1.00 0.00 O ATOM 1228 CB GLU A 77 -5.787 14.137 -5.363 1.00 0.00 C ATOM 1229 CG GLU A 77 -5.000 15.335 -5.868 1.00 0.00 C ATOM 1230 CD GLU A 77 -5.752 16.127 -6.902 1.00 0.00 C ATOM 1231 OE1 GLU A 77 -5.773 15.700 -8.075 1.00 0.00 O ATOM 1232 OE2 GLU A 77 -6.319 17.183 -6.556 1.00 0.00 O ATOM 0 H GLU A 77 -2.891 12.893 -4.808 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.589 13.744 -3.651 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.195 13.593 -6.215 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.634 14.489 -4.774 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.754 15.984 -5.027 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.057 14.992 -6.293 1.00 0.00 H new ATOM 1239 N MET A 78 -5.166 11.248 -3.129 1.00 0.00 N ATOM 1240 CA MET A 78 -5.781 10.075 -2.553 1.00 0.00 C ATOM 1241 C MET A 78 -6.668 10.455 -1.383 1.00 0.00 C ATOM 1242 O MET A 78 -6.250 11.183 -0.477 1.00 0.00 O ATOM 1243 CB MET A 78 -4.697 9.116 -2.090 1.00 0.00 C ATOM 1244 CG MET A 78 -4.916 7.683 -2.513 1.00 0.00 C ATOM 1245 SD MET A 78 -3.447 6.680 -2.265 1.00 0.00 S ATOM 1246 CE MET A 78 -3.858 5.249 -3.242 1.00 0.00 C ATOM 0 H MET A 78 -4.214 11.417 -2.803 1.00 0.00 H new ATOM 0 HA MET A 78 -6.400 9.593 -3.310 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.737 9.455 -2.479 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.632 9.156 -1.003 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.745 7.260 -1.946 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.202 7.654 -3.564 1.00 0.00 H new ATOM 0 HE1 MET A 78 -3.142 4.452 -3.039 1.00 0.00 H new ATOM 0 HE2 MET A 78 -4.861 4.909 -2.986 1.00 0.00 H new ATOM 0 HE3 MET A 78 -3.822 5.508 -4.300 1.00 0.00 H new ATOM 1256 N GLU A 79 -7.900 9.984 -1.405 1.00 0.00 N ATOM 1257 CA GLU A 79 -8.837 10.251 -0.333 1.00 0.00 C ATOM 1258 C GLU A 79 -8.686 9.211 0.763 1.00 0.00 C ATOM 1259 O GLU A 79 -8.087 8.155 0.556 1.00 0.00 O ATOM 1260 CB GLU A 79 -10.267 10.228 -0.864 1.00 0.00 C ATOM 1261 CG GLU A 79 -10.501 11.147 -2.046 1.00 0.00 C ATOM 1262 CD GLU A 79 -11.917 11.074 -2.561 1.00 0.00 C ATOM 1263 OE1 GLU A 79 -12.207 10.190 -3.401 1.00 0.00 O ATOM 1264 OE2 GLU A 79 -12.752 11.893 -2.132 1.00 0.00 O ATOM 0 H GLU A 79 -8.276 9.410 -2.160 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.624 11.239 0.076 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.519 9.208 -1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.947 10.508 -0.059 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.276 12.173 -1.755 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.812 10.885 -2.849 1.00 0.00 H new ATOM 1271 N ASP A 80 -9.226 9.497 1.928 1.00 0.00 N ATOM 1272 CA ASP A 80 -9.157 8.565 3.034 1.00 0.00 C ATOM 1273 C ASP A 80 -10.205 7.486 2.895 1.00 0.00 C ATOM 1274 O ASP A 80 -11.291 7.720 2.362 1.00 0.00 O ATOM 1275 CB ASP A 80 -9.309 9.278 4.381 1.00 0.00 C ATOM 1276 CG ASP A 80 -10.570 10.106 4.477 1.00 0.00 C ATOM 1277 OD1 ASP A 80 -10.610 11.206 3.883 1.00 0.00 O ATOM 1278 OD2 ASP A 80 -11.513 9.685 5.172 1.00 0.00 O ATOM 0 H ASP A 80 -9.717 10.367 2.134 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.171 8.102 3.006 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -9.307 8.536 5.180 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.445 9.923 4.543 1.00 0.00 H new ATOM 1283 N GLU A 81 -9.858 6.296 3.364 1.00 0.00 N ATOM 1284 CA GLU A 81 -10.715 5.118 3.330 1.00 0.00 C ATOM 1285 C GLU A 81 -10.919 4.605 1.911 1.00 0.00 C ATOM 1286 O GLU A 81 -11.792 3.773 1.659 1.00 0.00 O ATOM 1287 CB GLU A 81 -12.054 5.372 4.030 1.00 0.00 C ATOM 1288 CG GLU A 81 -11.901 5.831 5.471 1.00 0.00 C ATOM 1289 CD GLU A 81 -13.159 5.638 6.279 1.00 0.00 C ATOM 1290 OE1 GLU A 81 -13.398 4.503 6.752 1.00 0.00 O ATOM 1291 OE2 GLU A 81 -13.906 6.612 6.458 1.00 0.00 O ATOM 0 H GLU A 81 -8.949 6.118 3.790 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.199 4.335 3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -12.610 6.126 3.473 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.647 4.458 4.008 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.085 5.280 5.939 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -11.623 6.885 5.485 1.00 0.00 H new ATOM 1298 N ASP A 82 -10.087 5.071 0.980 1.00 0.00 N ATOM 1299 CA ASP A 82 -10.176 4.619 -0.403 1.00 0.00 C ATOM 1300 C ASP A 82 -9.462 3.271 -0.546 1.00 0.00 C ATOM 1301 O ASP A 82 -8.761 2.832 0.370 1.00 0.00 O ATOM 1302 CB ASP A 82 -9.581 5.655 -1.367 1.00 0.00 C ATOM 1303 CG ASP A 82 -10.253 5.628 -2.731 1.00 0.00 C ATOM 1304 OD1 ASP A 82 -10.226 4.571 -3.401 1.00 0.00 O ATOM 1305 OD2 ASP A 82 -10.820 6.662 -3.138 1.00 0.00 O ATOM 0 H ASP A 82 -9.351 5.755 1.158 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.227 4.498 -0.664 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.682 6.650 -0.934 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.514 5.466 -1.486 1.00 0.00 H new ATOM 1310 N THR A 83 -9.622 2.616 -1.677 1.00 0.00 N ATOM 1311 CA THR A 83 -9.064 1.289 -1.864 1.00 0.00 C ATOM 1312 C THR A 83 -8.160 1.198 -3.107 1.00 0.00 C ATOM 1313 O THR A 83 -8.451 1.772 -4.159 1.00 0.00 O ATOM 1314 CB THR A 83 -10.194 0.246 -1.967 1.00 0.00 C ATOM 1315 OG1 THR A 83 -11.105 0.422 -0.872 1.00 0.00 O ATOM 1316 CG2 THR A 83 -9.641 -1.168 -1.930 1.00 0.00 C ATOM 0 H THR A 83 -10.133 2.979 -2.482 1.00 0.00 H new ATOM 0 HA THR A 83 -8.444 1.080 -0.992 1.00 0.00 H new ATOM 0 HB THR A 83 -10.708 0.392 -2.917 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.825 -0.239 -0.936 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.462 -1.882 -2.004 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.957 -1.313 -2.766 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.107 -1.325 -0.993 1.00 0.00 H new ATOM 1324 N ILE A 84 -7.072 0.450 -2.972 1.00 0.00 N ATOM 1325 CA ILE A 84 -6.117 0.229 -4.049 1.00 0.00 C ATOM 1326 C ILE A 84 -6.344 -1.153 -4.645 1.00 0.00 C ATOM 1327 O ILE A 84 -6.570 -2.118 -3.914 1.00 0.00 O ATOM 1328 CB ILE A 84 -4.634 0.336 -3.559 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -4.285 1.763 -3.115 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -3.665 -0.124 -4.639 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -4.761 2.120 -1.724 1.00 0.00 C ATOM 0 H ILE A 84 -6.826 -0.024 -2.103 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.278 1.006 -4.796 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.536 -0.322 -2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.203 1.890 -3.159 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.718 2.467 -3.826 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.643 -0.039 -4.271 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.873 -1.163 -4.896 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.785 0.500 -5.525 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.472 3.145 -1.492 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.846 2.030 -1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.308 1.443 -1.000 1.00 0.00 H new ATOM 1343 N ASP A 85 -6.287 -1.253 -5.962 1.00 0.00 N ATOM 1344 CA ASP A 85 -6.502 -2.518 -6.652 1.00 0.00 C ATOM 1345 C ASP A 85 -5.182 -3.226 -6.889 1.00 0.00 C ATOM 1346 O ASP A 85 -4.278 -2.688 -7.530 1.00 0.00 O ATOM 1347 CB ASP A 85 -7.206 -2.290 -7.996 1.00 0.00 C ATOM 1348 CG ASP A 85 -8.599 -1.724 -7.851 1.00 0.00 C ATOM 1349 OD1 ASP A 85 -9.550 -2.509 -7.682 1.00 0.00 O ATOM 1350 OD2 ASP A 85 -8.756 -0.479 -7.924 1.00 0.00 O ATOM 0 H ASP A 85 -6.092 -0.467 -6.582 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.135 -3.141 -6.020 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.606 -1.611 -8.602 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.260 -3.236 -8.535 1.00 0.00 H new ATOM 1355 N VAL A 86 -5.047 -4.421 -6.356 1.00 0.00 N ATOM 1356 CA VAL A 86 -3.834 -5.199 -6.532 1.00 0.00 C ATOM 1357 C VAL A 86 -4.070 -6.412 -7.425 1.00 0.00 C ATOM 1358 O VAL A 86 -5.069 -7.133 -7.283 1.00 0.00 O ATOM 1359 CB VAL A 86 -3.256 -5.651 -5.169 1.00 0.00 C ATOM 1360 CG1 VAL A 86 -2.190 -6.717 -5.351 1.00 0.00 C ATOM 1361 CG2 VAL A 86 -2.686 -4.462 -4.432 1.00 0.00 C ATOM 0 H VAL A 86 -5.765 -4.879 -5.794 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.108 -4.550 -7.022 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.066 -6.084 -4.581 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.803 -7.014 -4.376 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.624 -7.584 -5.849 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.377 -6.319 -5.958 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.281 -4.788 -3.474 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.892 -4.012 -5.027 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.473 -3.727 -4.262 1.00 0.00 H new ATOM 1371 N PHE A 87 -3.126 -6.664 -8.326 1.00 0.00 N ATOM 1372 CA PHE A 87 -3.235 -7.769 -9.275 1.00 0.00 C ATOM 1373 C PHE A 87 -1.942 -8.578 -9.274 1.00 0.00 C ATOM 1374 O PHE A 87 -0.875 -8.054 -8.932 1.00 0.00 O ATOM 1375 CB PHE A 87 -3.520 -7.234 -10.684 1.00 0.00 C ATOM 1376 CG PHE A 87 -4.692 -6.294 -10.748 1.00 0.00 C ATOM 1377 CD1 PHE A 87 -5.974 -6.772 -10.958 1.00 0.00 C ATOM 1378 CD2 PHE A 87 -4.509 -4.930 -10.589 1.00 0.00 C ATOM 1379 CE1 PHE A 87 -7.049 -5.907 -11.008 1.00 0.00 C ATOM 1380 CE2 PHE A 87 -5.576 -4.063 -10.637 1.00 0.00 C ATOM 1381 CZ PHE A 87 -6.850 -4.550 -10.846 1.00 0.00 C ATOM 0 H PHE A 87 -2.272 -6.115 -8.420 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.061 -8.414 -8.974 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.633 -6.720 -11.054 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.703 -8.075 -11.352 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.135 -7.832 -11.084 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.515 -4.542 -10.425 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.045 -6.291 -11.174 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.417 -3.002 -10.511 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.690 -3.872 -10.883 1.00 0.00 H new ATOM 1391 N GLN A 88 -2.025 -9.859 -9.630 1.00 0.00 N ATOM 1392 CA GLN A 88 -0.849 -10.726 -9.663 1.00 0.00 C ATOM 1393 C GLN A 88 -0.338 -10.923 -11.084 1.00 0.00 C ATOM 1394 O GLN A 88 -1.009 -11.519 -11.922 1.00 0.00 O ATOM 1395 CB GLN A 88 -1.155 -12.097 -9.043 1.00 0.00 C ATOM 1396 CG GLN A 88 -0.940 -12.187 -7.540 1.00 0.00 C ATOM 1397 CD GLN A 88 -1.903 -11.341 -6.738 1.00 0.00 C ATOM 1398 OE1 GLN A 88 -2.989 -11.782 -6.395 1.00 0.00 O ATOM 1399 NE2 GLN A 88 -1.508 -10.127 -6.417 1.00 0.00 N ATOM 0 H GLN A 88 -2.894 -10.319 -9.900 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.076 -10.230 -9.077 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.191 -12.355 -9.262 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.530 -12.846 -9.529 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.038 -13.227 -7.229 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.080 -11.880 -7.308 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.594 -9.791 -6.721 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.116 -9.522 -5.865 1.00 0.00 H new ATOM 1408 N GLN A 89 0.838 -10.403 -11.358 1.00 0.00 N ATOM 1409 CA GLN A 89 1.481 -10.588 -12.646 1.00 0.00 C ATOM 1410 C GLN A 89 2.606 -11.605 -12.524 1.00 0.00 C ATOM 1411 O GLN A 89 2.810 -12.197 -11.456 1.00 0.00 O ATOM 1412 CB GLN A 89 2.025 -9.260 -13.208 1.00 0.00 C ATOM 1413 CG GLN A 89 0.950 -8.280 -13.682 1.00 0.00 C ATOM 1414 CD GLN A 89 0.120 -7.693 -12.552 1.00 0.00 C ATOM 1415 OE1 GLN A 89 -1.060 -7.403 -12.725 1.00 0.00 O ATOM 1416 NE2 GLN A 89 0.733 -7.494 -11.402 1.00 0.00 N ATOM 0 H GLN A 89 1.376 -9.841 -10.699 1.00 0.00 H new ATOM 0 HA GLN A 89 0.730 -10.959 -13.343 1.00 0.00 H new ATOM 0 HB2 GLN A 89 2.627 -8.775 -12.439 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.691 -9.480 -14.042 1.00 0.00 H new ATOM 0 HG2 GLN A 89 1.427 -7.468 -14.231 1.00 0.00 H new ATOM 0 HG3 GLN A 89 0.287 -8.791 -14.381 1.00 0.00 H new ATOM 0 HE21 GLN A 89 1.715 -7.748 -11.297 1.00 0.00 H new ATOM 0 HE22 GLN A 89 0.225 -7.086 -10.617 1.00 0.00 H new ATOM 1425 N GLN A 90 3.331 -11.822 -13.628 1.00 0.00 N ATOM 1426 CA GLN A 90 4.431 -12.793 -13.694 1.00 0.00 C ATOM 1427 C GLN A 90 3.925 -14.216 -13.436 1.00 0.00 C ATOM 1428 O GLN A 90 4.711 -15.157 -13.306 1.00 0.00 O ATOM 1429 CB GLN A 90 5.531 -12.439 -12.688 1.00 0.00 C ATOM 1430 CG GLN A 90 6.148 -11.062 -12.889 1.00 0.00 C ATOM 1431 CD GLN A 90 6.815 -10.904 -14.238 1.00 0.00 C ATOM 1432 OE1 GLN A 90 7.318 -11.866 -14.818 1.00 0.00 O ATOM 1433 NE2 GLN A 90 6.824 -9.690 -14.747 1.00 0.00 N ATOM 0 H GLN A 90 3.171 -11.327 -14.505 1.00 0.00 H new ATOM 0 HA GLN A 90 4.849 -12.751 -14.700 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.117 -12.495 -11.681 1.00 0.00 H new ATOM 0 HB3 GLN A 90 6.319 -13.189 -12.751 1.00 0.00 H new ATOM 0 HG2 GLN A 90 5.373 -10.303 -12.782 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.882 -10.881 -12.104 1.00 0.00 H new ATOM 0 HE21 GLN A 90 6.396 -8.919 -14.234 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.259 -9.520 -15.654 1.00 0.00 H new ATOM 1442 N THR A 91 2.601 -14.365 -13.394 1.00 0.00 N ATOM 1443 CA THR A 91 1.956 -15.628 -13.090 1.00 0.00 C ATOM 1444 C THR A 91 2.479 -16.198 -11.765 1.00 0.00 C ATOM 1445 O THR A 91 3.204 -17.192 -11.731 1.00 0.00 O ATOM 1446 CB THR A 91 2.126 -16.655 -14.231 1.00 0.00 C ATOM 1447 OG1 THR A 91 1.765 -16.039 -15.481 1.00 0.00 O ATOM 1448 CG2 THR A 91 1.231 -17.871 -13.998 1.00 0.00 C ATOM 0 H THR A 91 1.947 -13.603 -13.572 1.00 0.00 H new ATOM 0 HA THR A 91 0.889 -15.431 -12.989 1.00 0.00 H new ATOM 0 HB THR A 91 3.166 -16.981 -14.256 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.873 -16.687 -16.208 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.365 -18.583 -14.812 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.500 -18.345 -13.054 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.189 -17.554 -13.961 1.00 0.00 H new ATOM 1456 N GLY A 92 2.132 -15.535 -10.675 1.00 0.00 N ATOM 1457 CA GLY A 92 2.573 -15.973 -9.364 1.00 0.00 C ATOM 1458 C GLY A 92 1.487 -16.728 -8.642 1.00 0.00 C ATOM 1459 O GLY A 92 1.640 -17.125 -7.485 1.00 0.00 O ATOM 0 H GLY A 92 1.550 -14.697 -10.672 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.452 -16.608 -9.468 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.873 -15.108 -8.772 1.00 0.00 H new ATOM 1463 N GLY A 93 0.389 -16.929 -9.329 1.00 0.00 N ATOM 1464 CA GLY A 93 -0.731 -17.626 -8.774 1.00 0.00 C ATOM 1465 C GLY A 93 -1.955 -17.393 -9.607 1.00 0.00 C ATOM 1466 O GLY A 93 -3.075 -17.437 -9.069 1.00 0.00 O ATOM 1467 OXT GLY A 93 -1.798 -17.135 -10.815 1.00 0.00 O ATOM 0 H GLY A 93 0.253 -16.611 -10.289 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -0.515 -18.693 -8.724 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.908 -17.288 -7.753 1.00 0.00 H new TER 1471 GLY A 93