USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 838 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 84 SER OG : rot 112:sc= 0.192 USER MOD Set 1.2: A 109 TYR OH : rot -60:sc= 0.663 USER MOD Set 2.1: A 74 MET CE :methyl 150:sc= -0.941 (180deg=-1.69) USER MOD Set 2.2: A 75 MET CE :methyl -169:sc= 0 (180deg=-0.247) USER MOD Set 3.1: A 46 SER OG : rot -160:sc= 0 USER MOD Set 3.2: A 50 HIS : no HE2:sc= -1.53 X(o=-1.5,f=-1.3) USER MOD Single : A 44 HIS : no HD1:sc= -36.5! C(o=-36!,f=-34!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0416 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00161) USER MOD Single : A 58 ASN : amide:sc= -0.0013 K(o=-0.0013,f=-1.5!) USER MOD Single : A 65 ASN : amide:sc= -0.489 X(o=-0.49,f=-0.21) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.236 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.443 USER MOD Single : A 89 GLN : amide:sc= -7.67! C(o=-7.7!,f=-21!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 TYR OH : rot -44:sc= 0.228 USER MOD Single : A 110 ASN : amide:sc= -4! C(o=-4!,f=-4.7!) USER MOD Single : A 112 GLN : amide:sc= -0.622 K(o=-0.62,f=-2.6!) USER MOD Single : A 114 LYS NZ :NH3+ -164:sc= -0.0246 (180deg=-0.369) USER MOD Single : A 115 LYS NZ :NH3+ -163:sc= -0.0458 (180deg=-0.486) USER MOD Single : A 125 LYS NZ :NH3+ 143:sc= -0.854 (180deg=-2.21!) USER MOD Single : A 127 LYS NZ :NH3+ -108:sc= -0.41 (180deg=-2.65!) USER MOD Single : A 137 SER OG : rot -110:sc= 0.67 USER MOD Single : A 139 HIS : no HE2:sc= -3.96! C(o=-4!,f=-3.5!) USER MOD Single : A 140 CYS SG : rot 140:sc= -2.08! USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0.157 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 40 6.014 9.907 3.998 1.00 0.00 N ATOM 2 CA PHE A 40 4.728 9.225 4.218 1.00 0.00 C ATOM 3 C PHE A 40 3.619 10.042 3.559 1.00 0.00 C ATOM 4 O PHE A 40 2.903 10.739 4.253 1.00 0.00 O ATOM 5 CB PHE A 40 4.581 9.096 5.688 1.00 0.00 C ATOM 6 CG PHE A 40 4.120 7.700 6.104 1.00 0.00 C ATOM 7 CD1 PHE A 40 2.798 7.243 6.163 1.00 0.00 C ATOM 8 CD2 PHE A 40 5.178 6.854 6.421 1.00 0.00 C ATOM 9 CE1 PHE A 40 2.573 5.938 6.548 1.00 0.00 C ATOM 10 CE2 PHE A 40 4.975 5.534 6.804 1.00 0.00 C ATOM 11 CZ PHE A 40 3.649 5.092 6.866 1.00 0.00 C ATOM 0 HA PHE A 40 4.676 8.232 3.771 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.534 9.319 6.167 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.864 9.835 6.045 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.975 7.896 5.913 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.187 7.235 6.368 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.562 5.563 6.606 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.801 4.880 7.042 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.447 4.074 7.166 1.00 0.00 H new ATOM 20 N ARG A 41 3.489 9.962 2.248 1.00 0.00 N ATOM 21 CA ARG A 41 2.403 10.781 1.646 1.00 0.00 C ATOM 22 C ARG A 41 1.234 10.367 0.824 1.00 0.00 C ATOM 23 O ARG A 41 0.104 10.713 1.103 1.00 0.00 O ATOM 24 CB ARG A 41 3.131 11.876 0.909 1.00 0.00 C ATOM 25 CG ARG A 41 3.910 12.797 1.851 1.00 0.00 C ATOM 26 CD ARG A 41 4.660 13.801 0.973 1.00 0.00 C ATOM 27 NE ARG A 41 5.552 14.622 1.840 1.00 0.00 N ATOM 28 CZ ARG A 41 6.838 14.593 1.618 1.00 0.00 C ATOM 29 NH1 ARG A 41 7.303 15.140 0.526 1.00 0.00 N ATOM 30 NH2 ARG A 41 7.615 14.019 2.494 1.00 0.00 N ATOM 0 H ARG A 41 4.053 9.400 1.611 1.00 0.00 H new ATOM 0 HA ARG A 41 1.801 10.925 2.543 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.819 11.431 0.190 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.413 12.466 0.340 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.234 13.311 2.534 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.606 12.224 2.463 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.245 13.278 0.217 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.954 14.441 0.444 1.00 0.00 H new ATOM 0 HE ARG A 41 5.166 15.194 2.591 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.664 15.580 -0.136 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.305 15.127 0.336 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.215 13.603 3.335 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.622 13.986 2.338 1.00 0.00 H new ATOM 44 N ARG A 42 1.580 9.694 -0.185 1.00 0.00 N ATOM 45 CA ARG A 42 0.620 9.107 -1.193 1.00 0.00 C ATOM 46 C ARG A 42 1.331 8.176 -2.082 1.00 0.00 C ATOM 47 O ARG A 42 2.028 8.633 -2.972 1.00 0.00 O ATOM 48 CB ARG A 42 0.012 10.204 -1.852 1.00 0.00 C ATOM 49 CG ARG A 42 -0.569 9.953 -3.234 1.00 0.00 C ATOM 50 CD ARG A 42 -0.732 11.329 -3.931 1.00 0.00 C ATOM 51 NE ARG A 42 -1.790 12.181 -3.299 1.00 0.00 N ATOM 52 CZ ARG A 42 -2.438 11.814 -2.226 1.00 0.00 C ATOM 53 NH1 ARG A 42 -3.471 11.022 -2.339 1.00 0.00 N ATOM 54 NH2 ARG A 42 -2.023 12.259 -1.073 1.00 0.00 N ATOM 0 H ARG A 42 2.557 9.492 -0.399 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.165 8.504 -0.735 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.787 10.580 -1.213 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.753 10.999 -1.937 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.089 9.305 -3.814 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.531 9.446 -3.159 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.220 11.860 -3.903 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.978 11.172 -4.981 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.013 13.082 -3.723 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.765 10.696 -3.260 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.983 10.730 -1.507 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.212 12.877 -1.026 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.509 11.990 -0.218 1.00 0.00 H new ATOM 68 N ASP A 43 1.090 6.921 -1.787 1.00 0.00 N ATOM 69 CA ASP A 43 1.749 5.790 -2.544 1.00 0.00 C ATOM 70 C ASP A 43 3.123 6.468 -2.488 1.00 0.00 C ATOM 71 O ASP A 43 3.861 6.568 -3.446 1.00 0.00 O ATOM 72 CB ASP A 43 1.166 5.736 -3.955 1.00 0.00 C ATOM 73 CG ASP A 43 -0.363 5.733 -3.834 1.00 0.00 C ATOM 74 OD1 ASP A 43 -0.846 4.815 -3.192 1.00 0.00 O ATOM 75 OD2 ASP A 43 -0.953 6.648 -4.390 1.00 0.00 O ATOM 0 H ASP A 43 0.457 6.621 -1.045 1.00 0.00 H new ATOM 0 HA ASP A 43 1.679 4.759 -2.199 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.501 6.593 -4.539 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.509 4.842 -4.476 1.00 0.00 H new ATOM 80 N HIS A 44 3.301 6.880 -1.254 1.00 0.00 N ATOM 81 CA HIS A 44 4.418 7.636 -0.636 1.00 0.00 C ATOM 82 C HIS A 44 5.725 7.914 -1.360 1.00 0.00 C ATOM 83 O HIS A 44 5.888 7.665 -2.536 1.00 0.00 O ATOM 84 CB HIS A 44 4.857 7.069 0.704 1.00 0.00 C ATOM 85 CG HIS A 44 4.331 6.683 2.057 1.00 0.00 C ATOM 86 ND1 HIS A 44 5.203 6.103 2.792 1.00 0.00 N ATOM 87 CD2 HIS A 44 3.154 6.667 2.794 1.00 0.00 C ATOM 88 CE1 HIS A 44 4.680 5.735 3.874 1.00 0.00 C ATOM 89 NE2 HIS A 44 3.409 6.057 3.933 1.00 0.00 N ATOM 0 H HIS A 44 2.587 6.678 -0.554 1.00 0.00 H new ATOM 0 HA HIS A 44 3.881 8.585 -0.621 1.00 0.00 H new ATOM 0 HB2 HIS A 44 5.338 6.142 0.393 1.00 0.00 H new ATOM 0 HB3 HIS A 44 5.651 7.764 0.977 1.00 0.00 H new ATOM 0 HD2 HIS A 44 2.204 7.079 2.489 1.00 0.00 H new ATOM 0 HE1 HIS A 44 5.211 5.217 4.659 1.00 0.00 H new ATOM 0 HE2 HIS A 44 2.758 5.874 4.697 1.00 0.00 H new ATOM 97 N THR A 45 6.666 8.438 -0.633 1.00 0.00 N ATOM 98 CA THR A 45 7.946 8.741 -1.316 1.00 0.00 C ATOM 99 C THR A 45 8.885 7.600 -1.468 1.00 0.00 C ATOM 100 O THR A 45 8.861 6.623 -0.748 1.00 0.00 O ATOM 101 CB THR A 45 8.667 9.847 -0.588 1.00 0.00 C ATOM 102 OG1 THR A 45 8.439 9.658 0.802 1.00 0.00 O ATOM 103 CG2 THR A 45 8.074 11.174 -1.003 1.00 0.00 C ATOM 0 H THR A 45 6.612 8.662 0.361 1.00 0.00 H new ATOM 0 HA THR A 45 7.650 9.028 -2.325 1.00 0.00 H new ATOM 0 HB THR A 45 9.733 9.835 -0.816 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.897 10.362 1.307 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.589 11.981 -0.482 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.191 11.304 -2.079 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.014 11.195 -0.748 1.00 0.00 H new ATOM 111 N SER A 46 9.701 7.814 -2.456 1.00 0.00 N ATOM 112 CA SER A 46 10.707 6.783 -2.770 1.00 0.00 C ATOM 113 C SER A 46 11.755 7.180 -3.794 1.00 0.00 C ATOM 114 O SER A 46 12.559 6.356 -4.162 1.00 0.00 O ATOM 115 CB SER A 46 9.999 5.585 -3.278 1.00 0.00 C ATOM 116 OG SER A 46 9.213 6.095 -4.346 1.00 0.00 O ATOM 0 H SER A 46 9.713 8.645 -3.048 1.00 0.00 H new ATOM 0 HA SER A 46 11.250 6.607 -1.841 1.00 0.00 H new ATOM 0 HB2 SER A 46 10.697 4.822 -3.622 1.00 0.00 H new ATOM 0 HB3 SER A 46 9.380 5.127 -2.507 1.00 0.00 H new ATOM 0 HG SER A 46 8.484 5.471 -4.542 1.00 0.00 H new ATOM 122 N ASP A 47 11.747 8.392 -4.258 1.00 0.00 N ATOM 123 CA ASP A 47 12.776 8.801 -5.262 1.00 0.00 C ATOM 124 C ASP A 47 14.166 8.231 -4.926 1.00 0.00 C ATOM 125 O ASP A 47 14.938 7.853 -5.783 1.00 0.00 O ATOM 126 CB ASP A 47 12.814 10.319 -5.291 1.00 0.00 C ATOM 127 CG ASP A 47 11.383 10.805 -5.510 1.00 0.00 C ATOM 128 OD1 ASP A 47 10.861 10.497 -6.568 1.00 0.00 O ATOM 129 OD2 ASP A 47 10.897 11.456 -4.600 1.00 0.00 O ATOM 0 H ASP A 47 11.081 9.117 -3.992 1.00 0.00 H new ATOM 0 HA ASP A 47 12.507 8.402 -6.240 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.214 10.711 -4.356 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.466 10.672 -6.090 1.00 0.00 H new ATOM 134 N GLN A 48 14.410 8.197 -3.644 1.00 0.00 N ATOM 135 CA GLN A 48 15.609 7.732 -3.009 1.00 0.00 C ATOM 136 C GLN A 48 15.770 6.227 -2.992 1.00 0.00 C ATOM 137 O GLN A 48 16.874 5.736 -3.088 1.00 0.00 O ATOM 138 CB GLN A 48 15.520 8.379 -1.645 1.00 0.00 C ATOM 139 CG GLN A 48 16.218 7.526 -0.668 1.00 0.00 C ATOM 140 CD GLN A 48 16.282 8.228 0.687 1.00 0.00 C ATOM 141 OE1 GLN A 48 15.273 8.538 1.288 1.00 0.00 O ATOM 142 NE2 GLN A 48 17.451 8.494 1.204 1.00 0.00 N ATOM 0 H GLN A 48 13.720 8.519 -2.965 1.00 0.00 H new ATOM 0 HA GLN A 48 16.514 8.010 -3.549 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.970 9.372 -1.668 1.00 0.00 H new ATOM 0 HB3 GLN A 48 14.477 8.508 -1.356 1.00 0.00 H new ATOM 0 HG2 GLN A 48 15.699 6.573 -0.569 1.00 0.00 H new ATOM 0 HG3 GLN A 48 17.226 7.305 -1.020 1.00 0.00 H new ATOM 0 HE21 GLN A 48 18.301 8.236 0.703 1.00 0.00 H new ATOM 0 HE22 GLN A 48 17.514 8.960 2.109 1.00 0.00 H new ATOM 151 N LEU A 49 14.701 5.498 -2.859 1.00 0.00 N ATOM 152 CA LEU A 49 14.933 4.032 -2.853 1.00 0.00 C ATOM 153 C LEU A 49 14.873 3.498 -4.247 1.00 0.00 C ATOM 154 O LEU A 49 15.502 2.523 -4.564 1.00 0.00 O ATOM 155 CB LEU A 49 13.938 3.325 -2.097 1.00 0.00 C ATOM 156 CG LEU A 49 12.641 3.393 -2.811 1.00 0.00 C ATOM 157 CD1 LEU A 49 12.196 2.135 -3.548 1.00 0.00 C ATOM 158 CD2 LEU A 49 11.819 3.635 -1.725 1.00 0.00 C ATOM 0 H LEU A 49 13.739 5.823 -2.760 1.00 0.00 H new ATOM 0 HA LEU A 49 15.913 3.880 -2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 49 14.238 2.286 -1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 49 13.842 3.761 -1.103 1.00 0.00 H new ATOM 0 HG LEU A 49 12.652 4.117 -3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 49 11.234 2.315 -4.028 1.00 0.00 H new ATOM 0 HD12 LEU A 49 12.936 1.876 -4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 49 12.099 1.313 -2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 49 10.786 3.719 -2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 49 11.903 2.813 -1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.120 4.564 -1.241 1.00 0.00 H new ATOM 170 N HIS A 50 14.104 4.058 -5.114 1.00 0.00 N ATOM 171 CA HIS A 50 14.169 3.442 -6.440 1.00 0.00 C ATOM 172 C HIS A 50 15.649 3.571 -6.761 1.00 0.00 C ATOM 173 O HIS A 50 16.218 2.742 -7.440 1.00 0.00 O ATOM 174 CB HIS A 50 13.232 4.238 -7.313 1.00 0.00 C ATOM 175 CG HIS A 50 11.862 3.731 -6.970 1.00 0.00 C ATOM 176 ND1 HIS A 50 11.249 2.707 -7.460 1.00 0.00 N ATOM 177 CD2 HIS A 50 11.009 4.256 -6.066 1.00 0.00 C ATOM 178 CE1 HIS A 50 10.088 2.609 -6.892 1.00 0.00 C ATOM 179 NE2 HIS A 50 9.894 3.558 -6.010 1.00 0.00 N ATOM 0 H HIS A 50 13.479 4.853 -4.981 1.00 0.00 H new ATOM 0 HA HIS A 50 13.860 2.403 -6.556 1.00 0.00 H new ATOM 0 HB2 HIS A 50 13.319 5.306 -7.115 1.00 0.00 H new ATOM 0 HB3 HIS A 50 13.455 4.090 -8.370 1.00 0.00 H new ATOM 0 HD1 HIS A 50 11.617 2.079 -8.175 1.00 0.00 H new ATOM 0 HD2 HIS A 50 11.214 5.132 -5.468 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.367 1.837 -7.119 1.00 0.00 H new ATOM 187 N ALA A 51 16.237 4.624 -6.262 1.00 0.00 N ATOM 188 CA ALA A 51 17.642 4.804 -6.494 1.00 0.00 C ATOM 189 C ALA A 51 18.287 3.681 -5.637 1.00 0.00 C ATOM 190 O ALA A 51 19.253 3.090 -6.074 1.00 0.00 O ATOM 191 CB ALA A 51 18.057 6.153 -5.999 1.00 0.00 C ATOM 0 H ALA A 51 15.782 5.350 -5.709 1.00 0.00 H new ATOM 0 HA ALA A 51 17.930 4.750 -7.544 1.00 0.00 H new ATOM 0 HB1 ALA A 51 19.124 6.292 -6.174 1.00 0.00 H new ATOM 0 HB2 ALA A 51 17.498 6.923 -6.531 1.00 0.00 H new ATOM 0 HB3 ALA A 51 17.852 6.228 -4.931 1.00 0.00 H new ATOM 197 N GLU A 52 17.754 3.399 -4.452 1.00 0.00 N ATOM 198 CA GLU A 52 18.349 2.336 -3.606 1.00 0.00 C ATOM 199 C GLU A 52 17.792 0.880 -3.633 1.00 0.00 C ATOM 200 O GLU A 52 18.511 -0.059 -3.917 1.00 0.00 O ATOM 201 CB GLU A 52 18.296 2.791 -2.162 1.00 0.00 C ATOM 202 CG GLU A 52 19.121 1.891 -1.218 1.00 0.00 C ATOM 203 CD GLU A 52 20.623 1.930 -1.534 1.00 0.00 C ATOM 204 OE1 GLU A 52 21.006 1.392 -2.560 1.00 0.00 O ATOM 205 OE2 GLU A 52 21.313 2.505 -0.710 1.00 0.00 O ATOM 0 H GLU A 52 16.939 3.866 -4.054 1.00 0.00 H new ATOM 0 HA GLU A 52 19.335 2.233 -4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.665 3.814 -2.095 1.00 0.00 H new ATOM 0 HB3 GLU A 52 17.258 2.804 -1.828 1.00 0.00 H new ATOM 0 HG2 GLU A 52 18.961 2.208 -0.187 1.00 0.00 H new ATOM 0 HG3 GLU A 52 18.763 0.864 -1.295 1.00 0.00 H new ATOM 212 N PHE A 53 16.523 0.764 -3.332 1.00 0.00 N ATOM 213 CA PHE A 53 15.744 -0.507 -3.273 1.00 0.00 C ATOM 214 C PHE A 53 16.048 -1.395 -4.454 1.00 0.00 C ATOM 215 O PHE A 53 16.231 -2.593 -4.370 1.00 0.00 O ATOM 216 CB PHE A 53 14.337 -0.140 -3.268 1.00 0.00 C ATOM 217 CG PHE A 53 13.552 -0.521 -2.061 1.00 0.00 C ATOM 218 CD1 PHE A 53 13.716 0.091 -0.859 1.00 0.00 C ATOM 219 CD2 PHE A 53 12.657 -1.512 -2.161 1.00 0.00 C ATOM 220 CE1 PHE A 53 12.994 -0.300 0.239 1.00 0.00 C ATOM 221 CE2 PHE A 53 11.952 -1.907 -1.120 1.00 0.00 C ATOM 222 CZ PHE A 53 12.092 -1.321 0.111 1.00 0.00 C ATOM 0 H PHE A 53 15.951 1.578 -3.106 1.00 0.00 H new ATOM 0 HA PHE A 53 16.010 -1.070 -2.379 1.00 0.00 H new ATOM 0 HB2 PHE A 53 14.266 0.941 -3.393 1.00 0.00 H new ATOM 0 HB3 PHE A 53 13.864 -0.593 -4.139 1.00 0.00 H new ATOM 0 HD1 PHE A 53 14.427 0.899 -0.767 1.00 0.00 H new ATOM 0 HD2 PHE A 53 12.510 -1.998 -3.114 1.00 0.00 H new ATOM 0 HE1 PHE A 53 13.135 0.191 1.191 1.00 0.00 H new ATOM 0 HE2 PHE A 53 11.245 -2.714 -1.240 1.00 0.00 H new ATOM 0 HZ PHE A 53 11.507 -1.655 0.955 1.00 0.00 H new ATOM 232 N ASP A 54 16.078 -0.679 -5.535 1.00 0.00 N ATOM 233 CA ASP A 54 16.348 -1.279 -6.866 1.00 0.00 C ATOM 234 C ASP A 54 17.704 -1.995 -6.951 1.00 0.00 C ATOM 235 O ASP A 54 18.721 -1.383 -7.209 1.00 0.00 O ATOM 236 CB ASP A 54 16.246 -0.141 -7.871 1.00 0.00 C ATOM 237 CG ASP A 54 16.283 -0.637 -9.320 1.00 0.00 C ATOM 238 OD1 ASP A 54 17.271 -1.247 -9.693 1.00 0.00 O ATOM 239 OD2 ASP A 54 15.294 -0.367 -9.983 1.00 0.00 O ATOM 0 H ASP A 54 15.922 0.329 -5.553 1.00 0.00 H new ATOM 0 HA ASP A 54 15.621 -2.065 -7.073 1.00 0.00 H new ATOM 0 HB2 ASP A 54 15.320 0.408 -7.701 1.00 0.00 H new ATOM 0 HB3 ASP A 54 17.066 0.559 -7.708 1.00 0.00 H new ATOM 244 N GLY A 55 17.666 -3.281 -6.724 1.00 0.00 N ATOM 245 CA GLY A 55 18.901 -4.112 -6.778 1.00 0.00 C ATOM 246 C GLY A 55 18.941 -5.068 -5.589 1.00 0.00 C ATOM 247 O GLY A 55 18.934 -6.269 -5.764 1.00 0.00 O ATOM 0 H GLY A 55 16.816 -3.798 -6.500 1.00 0.00 H new ATOM 0 HA2 GLY A 55 18.928 -4.677 -7.710 1.00 0.00 H new ATOM 0 HA3 GLY A 55 19.782 -3.470 -6.768 1.00 0.00 H new ATOM 251 N LYS A 56 18.988 -4.482 -4.426 1.00 0.00 N ATOM 252 CA LYS A 56 19.031 -5.228 -3.138 1.00 0.00 C ATOM 253 C LYS A 56 18.398 -6.598 -2.970 1.00 0.00 C ATOM 254 O LYS A 56 17.586 -7.083 -3.732 1.00 0.00 O ATOM 255 CB LYS A 56 18.463 -4.330 -2.084 1.00 0.00 C ATOM 256 CG LYS A 56 19.393 -3.162 -2.035 1.00 0.00 C ATOM 257 CD LYS A 56 19.206 -2.404 -0.723 1.00 0.00 C ATOM 258 CE LYS A 56 20.356 -1.409 -0.605 1.00 0.00 C ATOM 259 NZ LYS A 56 20.208 -0.596 0.633 1.00 0.00 N ATOM 0 H LYS A 56 18.999 -3.468 -4.312 1.00 0.00 H new ATOM 0 HA LYS A 56 20.089 -5.483 -3.074 1.00 0.00 H new ATOM 0 HB2 LYS A 56 17.449 -4.018 -2.335 1.00 0.00 H new ATOM 0 HB3 LYS A 56 18.412 -4.835 -1.120 1.00 0.00 H new ATOM 0 HG2 LYS A 56 20.424 -3.503 -2.124 1.00 0.00 H new ATOM 0 HG3 LYS A 56 19.203 -2.499 -2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 56 18.247 -1.886 -0.712 1.00 0.00 H new ATOM 0 HD3 LYS A 56 19.206 -3.093 0.122 1.00 0.00 H new ATOM 0 HE2 LYS A 56 21.307 -1.942 -0.587 1.00 0.00 H new ATOM 0 HE3 LYS A 56 20.372 -0.756 -1.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 20.988 0.089 0.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 19.301 -0.087 0.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 20.231 -1.221 1.464 1.00 0.00 H new ATOM 273 N GLU A 57 18.849 -7.159 -1.887 1.00 0.00 N ATOM 274 CA GLU A 57 18.394 -8.516 -1.474 1.00 0.00 C ATOM 275 C GLU A 57 17.207 -8.325 -0.525 1.00 0.00 C ATOM 276 O GLU A 57 17.053 -7.250 -0.005 1.00 0.00 O ATOM 277 CB GLU A 57 19.565 -9.146 -0.851 1.00 0.00 C ATOM 278 CG GLU A 57 19.370 -10.633 -0.573 1.00 0.00 C ATOM 279 CD GLU A 57 18.933 -10.806 0.874 1.00 0.00 C ATOM 280 OE1 GLU A 57 19.698 -10.357 1.709 1.00 0.00 O ATOM 281 OE2 GLU A 57 17.872 -11.374 1.057 1.00 0.00 O ATOM 0 H GLU A 57 19.526 -6.728 -1.258 1.00 0.00 H new ATOM 0 HA GLU A 57 18.047 -9.157 -2.284 1.00 0.00 H new ATOM 0 HB2 GLU A 57 20.429 -9.015 -1.502 1.00 0.00 H new ATOM 0 HB3 GLU A 57 19.790 -8.634 0.085 1.00 0.00 H new ATOM 0 HG2 GLU A 57 18.620 -11.048 -1.246 1.00 0.00 H new ATOM 0 HG3 GLU A 57 20.297 -11.176 -0.755 1.00 0.00 H new ATOM 288 N ASN A 58 16.391 -9.314 -0.295 1.00 0.00 N ATOM 289 CA ASN A 58 15.224 -9.178 0.604 1.00 0.00 C ATOM 290 C ASN A 58 15.409 -8.524 1.959 1.00 0.00 C ATOM 291 O ASN A 58 14.864 -7.505 2.324 1.00 0.00 O ATOM 292 CB ASN A 58 14.673 -10.507 0.854 1.00 0.00 C ATOM 293 CG ASN A 58 13.871 -10.973 -0.361 1.00 0.00 C ATOM 294 OD1 ASN A 58 14.396 -11.128 -1.445 1.00 0.00 O ATOM 295 ND2 ASN A 58 12.595 -11.205 -0.220 1.00 0.00 N ATOM 0 H ASN A 58 16.493 -10.240 -0.710 1.00 0.00 H new ATOM 0 HA ASN A 58 14.582 -8.491 0.053 1.00 0.00 H new ATOM 0 HB2 ASN A 58 15.479 -11.211 1.061 1.00 0.00 H new ATOM 0 HB3 ASN A 58 14.034 -10.485 1.737 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.042 -11.516 -1.019 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.151 -11.076 0.689 1.00 0.00 H new ATOM 302 N GLU A 59 16.221 -9.240 2.653 1.00 0.00 N ATOM 303 CA GLU A 59 16.684 -8.988 4.023 1.00 0.00 C ATOM 304 C GLU A 59 16.881 -7.527 4.279 1.00 0.00 C ATOM 305 O GLU A 59 16.517 -6.902 5.254 1.00 0.00 O ATOM 306 CB GLU A 59 17.927 -9.678 4.108 1.00 0.00 C ATOM 307 CG GLU A 59 18.298 -10.037 5.545 1.00 0.00 C ATOM 308 CD GLU A 59 19.624 -10.803 5.554 1.00 0.00 C ATOM 309 OE1 GLU A 59 20.141 -11.017 4.470 1.00 0.00 O ATOM 310 OE2 GLU A 59 20.043 -11.131 6.651 1.00 0.00 O ATOM 0 H GLU A 59 16.627 -10.093 2.269 1.00 0.00 H new ATOM 0 HA GLU A 59 15.958 -9.325 4.763 1.00 0.00 H new ATOM 0 HB2 GLU A 59 17.875 -10.589 3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 59 18.713 -9.058 3.677 1.00 0.00 H new ATOM 0 HG2 GLU A 59 18.384 -9.132 6.146 1.00 0.00 H new ATOM 0 HG3 GLU A 59 17.512 -10.644 5.994 1.00 0.00 H new ATOM 317 N GLU A 60 17.521 -7.129 3.237 1.00 0.00 N ATOM 318 CA GLU A 60 17.996 -5.820 2.941 1.00 0.00 C ATOM 319 C GLU A 60 16.846 -4.896 2.678 1.00 0.00 C ATOM 320 O GLU A 60 16.674 -3.944 3.396 1.00 0.00 O ATOM 321 CB GLU A 60 18.883 -6.047 1.780 1.00 0.00 C ATOM 322 CG GLU A 60 20.180 -5.407 2.019 1.00 0.00 C ATOM 323 CD GLU A 60 21.015 -5.510 0.741 1.00 0.00 C ATOM 324 OE1 GLU A 60 21.192 -6.632 0.296 1.00 0.00 O ATOM 325 OE2 GLU A 60 21.428 -4.460 0.280 1.00 0.00 O ATOM 0 H GLU A 60 17.750 -7.783 2.489 1.00 0.00 H new ATOM 0 HA GLU A 60 18.535 -5.329 3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 60 19.018 -7.116 1.617 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.427 -5.642 0.877 1.00 0.00 H new ATOM 0 HG2 GLU A 60 20.041 -4.362 2.298 1.00 0.00 H new ATOM 0 HG3 GLU A 60 20.695 -5.892 2.848 1.00 0.00 H new ATOM 332 N LEU A 61 16.115 -5.247 1.654 1.00 0.00 N ATOM 333 CA LEU A 61 14.928 -4.555 1.143 1.00 0.00 C ATOM 334 C LEU A 61 14.097 -4.007 2.270 1.00 0.00 C ATOM 335 O LEU A 61 13.480 -2.961 2.247 1.00 0.00 O ATOM 336 CB LEU A 61 14.072 -5.575 0.293 1.00 0.00 C ATOM 337 CG LEU A 61 14.065 -5.371 -1.221 1.00 0.00 C ATOM 338 CD1 LEU A 61 13.905 -3.941 -1.420 1.00 0.00 C ATOM 339 CD2 LEU A 61 15.370 -5.817 -1.808 1.00 0.00 C ATOM 0 H LEU A 61 16.336 -6.079 1.107 1.00 0.00 H new ATOM 0 HA LEU A 61 15.244 -3.718 0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.438 -6.581 0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.042 -5.532 0.647 1.00 0.00 H new ATOM 0 HG LEU A 61 13.272 -5.945 -1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.892 -3.721 -2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.968 -3.614 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.736 -3.413 -0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 61 15.354 -5.667 -2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.182 -5.235 -1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 61 15.524 -6.874 -1.591 1.00 0.00 H new ATOM 351 N GLU A 62 14.177 -4.850 3.240 1.00 0.00 N ATOM 352 CA GLU A 62 13.540 -4.778 4.506 1.00 0.00 C ATOM 353 C GLU A 62 14.188 -3.950 5.596 1.00 0.00 C ATOM 354 O GLU A 62 13.603 -3.131 6.273 1.00 0.00 O ATOM 355 CB GLU A 62 13.469 -6.169 4.829 1.00 0.00 C ATOM 356 CG GLU A 62 12.344 -6.812 4.083 1.00 0.00 C ATOM 357 CD GLU A 62 12.266 -8.298 4.435 1.00 0.00 C ATOM 358 OE1 GLU A 62 13.241 -8.978 4.156 1.00 0.00 O ATOM 359 OE2 GLU A 62 11.230 -8.664 4.965 1.00 0.00 O ATOM 0 H GLU A 62 14.748 -5.691 3.156 1.00 0.00 H new ATOM 0 HA GLU A 62 12.597 -4.234 4.445 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.410 -6.658 4.576 1.00 0.00 H new ATOM 0 HB3 GLU A 62 13.323 -6.294 5.902 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.403 -6.321 4.332 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.492 -6.691 3.010 1.00 0.00 H new ATOM 366 N ALA A 63 15.432 -4.264 5.697 1.00 0.00 N ATOM 367 CA ALA A 63 16.380 -3.686 6.633 1.00 0.00 C ATOM 368 C ALA A 63 16.166 -2.209 6.602 1.00 0.00 C ATOM 369 O ALA A 63 16.263 -1.532 7.607 1.00 0.00 O ATOM 370 CB ALA A 63 17.780 -4.035 6.189 1.00 0.00 C ATOM 0 H ALA A 63 15.858 -4.973 5.100 1.00 0.00 H new ATOM 0 HA ALA A 63 16.242 -4.066 7.645 1.00 0.00 H new ATOM 0 HB1 ALA A 63 18.500 -3.606 6.885 1.00 0.00 H new ATOM 0 HB2 ALA A 63 17.896 -5.119 6.169 1.00 0.00 H new ATOM 0 HB3 ALA A 63 17.956 -3.633 5.191 1.00 0.00 H new ATOM 376 N LEU A 64 15.871 -1.784 5.400 1.00 0.00 N ATOM 377 CA LEU A 64 15.637 -0.377 5.160 1.00 0.00 C ATOM 378 C LEU A 64 14.239 0.111 4.989 1.00 0.00 C ATOM 379 O LEU A 64 13.910 1.269 5.153 1.00 0.00 O ATOM 380 CB LEU A 64 16.494 -0.006 3.979 1.00 0.00 C ATOM 381 CG LEU A 64 15.718 -0.222 2.707 1.00 0.00 C ATOM 382 CD1 LEU A 64 15.733 1.034 1.864 1.00 0.00 C ATOM 383 CD2 LEU A 64 16.295 -1.356 2.000 1.00 0.00 C ATOM 0 H LEU A 64 15.787 -2.382 4.578 1.00 0.00 H new ATOM 0 HA LEU A 64 15.899 0.129 6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 64 16.805 1.036 4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 64 17.401 -0.610 3.971 1.00 0.00 H new ATOM 0 HG LEU A 64 14.674 -0.442 2.931 1.00 0.00 H new ATOM 0 HD11 LEU A 64 15.168 0.864 0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 64 15.280 1.853 2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.762 1.292 1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 64 15.744 -1.527 1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 64 17.339 -1.147 1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 64 16.234 -2.245 2.628 1.00 0.00 H new ATOM 395 N ASN A 65 13.523 -0.891 4.644 1.00 0.00 N ATOM 396 CA ASN A 65 12.062 -0.805 4.343 1.00 0.00 C ATOM 397 C ASN A 65 11.282 0.431 4.784 1.00 0.00 C ATOM 398 O ASN A 65 11.453 1.052 5.815 1.00 0.00 O ATOM 399 CB ASN A 65 11.273 -1.940 4.949 1.00 0.00 C ATOM 400 CG ASN A 65 10.974 -1.651 6.423 1.00 0.00 C ATOM 401 OD1 ASN A 65 11.855 -1.450 7.233 1.00 0.00 O ATOM 402 ND2 ASN A 65 9.725 -1.624 6.802 1.00 0.00 N ATOM 0 H ASN A 65 13.901 -1.833 4.548 1.00 0.00 H new ATOM 0 HA ASN A 65 12.130 -0.805 3.255 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.340 -2.077 4.402 1.00 0.00 H new ATOM 0 HB3 ASN A 65 11.834 -2.870 4.860 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.492 -1.434 7.777 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.982 -1.793 6.123 1.00 0.00 H new ATOM 409 N ILE A 66 10.401 0.696 3.869 1.00 0.00 N ATOM 410 CA ILE A 66 9.447 1.821 3.915 1.00 0.00 C ATOM 411 C ILE A 66 8.191 1.126 3.564 1.00 0.00 C ATOM 412 O ILE A 66 8.085 0.270 2.708 1.00 0.00 O ATOM 413 CB ILE A 66 10.005 2.771 2.913 1.00 0.00 C ATOM 414 CG1 ILE A 66 9.328 4.178 2.979 1.00 0.00 C ATOM 415 CG2 ILE A 66 10.446 2.195 1.495 1.00 0.00 C ATOM 416 CD1 ILE A 66 9.565 5.056 1.725 1.00 0.00 C ATOM 0 H ILE A 66 10.303 0.128 3.028 1.00 0.00 H new ATOM 0 HA ILE A 66 9.281 2.396 4.826 1.00 0.00 H new ATOM 0 HB ILE A 66 11.024 2.961 3.249 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.255 4.046 3.119 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.701 4.708 3.855 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.831 3.006 0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.223 1.444 1.633 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.586 1.741 1.003 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.062 6.015 1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 66 10.634 5.222 1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.166 4.550 0.846 1.00 0.00 H new ATOM 428 N GLU A 67 7.274 1.591 4.321 1.00 0.00 N ATOM 429 CA GLU A 67 5.916 1.096 4.230 1.00 0.00 C ATOM 430 C GLU A 67 5.147 2.194 3.583 1.00 0.00 C ATOM 431 O GLU A 67 4.728 3.067 4.307 1.00 0.00 O ATOM 432 CB GLU A 67 5.534 0.802 5.635 1.00 0.00 C ATOM 433 CG GLU A 67 6.661 -0.007 6.292 1.00 0.00 C ATOM 434 CD GLU A 67 6.148 -0.615 7.594 1.00 0.00 C ATOM 435 OE1 GLU A 67 5.187 -1.360 7.500 1.00 0.00 O ATOM 436 OE2 GLU A 67 6.750 -0.297 8.605 1.00 0.00 O ATOM 0 H GLU A 67 7.419 2.318 5.021 1.00 0.00 H new ATOM 0 HA GLU A 67 5.748 0.193 3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.366 1.729 6.183 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.600 0.241 5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.001 -0.794 5.618 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.519 0.636 6.490 1.00 0.00 H new ATOM 443 N VAL A 68 4.953 2.171 2.278 1.00 0.00 N ATOM 444 CA VAL A 68 4.219 3.273 1.729 1.00 0.00 C ATOM 445 C VAL A 68 2.958 3.024 0.972 1.00 0.00 C ATOM 446 O VAL A 68 2.672 1.984 0.425 1.00 0.00 O ATOM 447 CB VAL A 68 5.196 3.975 0.883 1.00 0.00 C ATOM 448 CG1 VAL A 68 6.607 3.581 1.098 1.00 0.00 C ATOM 449 CG2 VAL A 68 4.761 4.182 -0.451 1.00 0.00 C ATOM 0 H VAL A 68 5.270 1.454 1.626 1.00 0.00 H new ATOM 0 HA VAL A 68 3.818 3.828 2.577 1.00 0.00 H new ATOM 0 HB VAL A 68 5.227 4.997 1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.250 4.153 0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.888 3.783 2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.723 2.517 0.892 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.537 4.705 -1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.561 3.220 -0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.850 4.781 -0.448 1.00 0.00 H new ATOM 459 N ALA A 69 2.274 4.105 1.120 1.00 0.00 N ATOM 460 CA ALA A 69 0.994 4.477 0.599 1.00 0.00 C ATOM 461 C ALA A 69 0.737 5.908 0.971 1.00 0.00 C ATOM 462 O ALA A 69 1.513 6.794 0.731 1.00 0.00 O ATOM 463 CB ALA A 69 -0.033 3.527 1.030 1.00 0.00 C ATOM 0 H ALA A 69 2.652 4.860 1.692 1.00 0.00 H new ATOM 0 HA ALA A 69 0.968 4.423 -0.489 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.999 3.827 0.624 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.219 2.530 0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.085 3.516 2.119 1.00 0.00 H new ATOM 469 N VAL A 70 -0.443 6.046 1.474 1.00 0.00 N ATOM 470 CA VAL A 70 -1.188 7.081 2.009 1.00 0.00 C ATOM 471 C VAL A 70 -2.659 7.215 1.695 1.00 0.00 C ATOM 472 O VAL A 70 -3.504 6.409 2.011 1.00 0.00 O ATOM 473 CB VAL A 70 -0.352 8.263 2.025 1.00 0.00 C ATOM 474 CG1 VAL A 70 -1.167 9.052 2.791 1.00 0.00 C ATOM 475 CG2 VAL A 70 0.427 7.948 3.320 1.00 0.00 C ATOM 0 H VAL A 70 -1.019 5.205 1.511 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.437 6.806 3.034 1.00 0.00 H new ATOM 0 HB VAL A 70 0.102 8.565 1.081 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.703 10.029 2.929 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.128 9.174 2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.320 8.582 3.763 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.139 8.749 3.520 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.271 7.866 4.153 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.963 7.006 3.202 1.00 0.00 H new ATOM 485 N ALA A 71 -2.860 8.292 1.021 1.00 0.00 N ATOM 486 CA ALA A 71 -4.167 8.666 0.629 1.00 0.00 C ATOM 487 C ALA A 71 -4.509 8.473 -0.778 1.00 0.00 C ATOM 488 O ALA A 71 -3.778 7.996 -1.624 1.00 0.00 O ATOM 489 CB ALA A 71 -4.280 10.149 0.990 1.00 0.00 C ATOM 0 H ALA A 71 -2.124 8.935 0.728 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.871 8.012 1.144 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.269 10.516 0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.130 10.275 2.062 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.521 10.714 0.449 1.00 0.00 H new ATOM 495 N GLY A 72 -5.716 8.914 -0.891 1.00 0.00 N ATOM 496 CA GLY A 72 -6.322 8.866 -2.249 1.00 0.00 C ATOM 497 C GLY A 72 -7.489 7.941 -2.392 1.00 0.00 C ATOM 498 O GLY A 72 -8.221 7.744 -1.445 1.00 0.00 O ATOM 0 H GLY A 72 -6.296 9.292 -0.142 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.640 9.872 -2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.553 8.569 -2.962 1.00 0.00 H new ATOM 502 N ARG A 73 -7.597 7.431 -3.596 1.00 0.00 N ATOM 503 CA ARG A 73 -8.682 6.494 -3.953 1.00 0.00 C ATOM 504 C ARG A 73 -8.372 5.738 -5.238 1.00 0.00 C ATOM 505 O ARG A 73 -7.416 5.990 -5.948 1.00 0.00 O ATOM 506 CB ARG A 73 -9.943 7.245 -4.188 1.00 0.00 C ATOM 507 CG ARG A 73 -10.913 7.220 -3.014 1.00 0.00 C ATOM 508 CD ARG A 73 -11.678 5.898 -2.949 1.00 0.00 C ATOM 509 NE ARG A 73 -10.771 4.777 -2.552 1.00 0.00 N ATOM 510 CZ ARG A 73 -10.880 3.576 -3.071 1.00 0.00 C ATOM 511 NH1 ARG A 73 -11.740 3.332 -4.021 1.00 0.00 N ATOM 512 NH2 ARG A 73 -10.109 2.635 -2.606 1.00 0.00 N ATOM 0 H ARG A 73 -6.954 7.639 -4.360 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.780 5.793 -3.124 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -9.698 8.281 -4.420 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -10.441 6.831 -5.065 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.365 7.371 -2.084 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -11.618 8.046 -3.106 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.496 5.981 -2.233 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.125 5.683 -3.920 1.00 0.00 H new ATOM 0 HE ARG A 73 -10.045 4.951 -1.857 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.339 4.080 -4.371 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.813 2.394 -4.414 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.445 2.842 -1.860 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.169 1.691 -2.988 1.00 0.00 H new ATOM 526 N MET A 74 -9.242 4.792 -5.442 1.00 0.00 N ATOM 527 CA MET A 74 -9.165 3.921 -6.641 1.00 0.00 C ATOM 528 C MET A 74 -10.413 3.176 -7.028 1.00 0.00 C ATOM 529 O MET A 74 -11.523 3.516 -6.672 1.00 0.00 O ATOM 530 CB MET A 74 -8.143 2.954 -6.482 1.00 0.00 C ATOM 531 CG MET A 74 -7.244 3.218 -7.746 1.00 0.00 C ATOM 532 SD MET A 74 -7.990 3.373 -9.391 1.00 0.00 S ATOM 533 CE MET A 74 -7.722 5.144 -9.665 1.00 0.00 C ATOM 0 H MET A 74 -10.018 4.583 -4.814 1.00 0.00 H new ATOM 0 HA MET A 74 -8.972 4.635 -7.442 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.591 3.093 -5.552 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.540 1.939 -6.468 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.687 4.136 -7.558 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.516 2.408 -7.798 1.00 0.00 H new ATOM 0 HE1 MET A 74 -7.606 5.334 -10.732 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.578 5.704 -9.288 1.00 0.00 H new ATOM 0 HE3 MET A 74 -6.821 5.461 -9.140 1.00 0.00 H new ATOM 543 N MET A 75 -10.134 2.152 -7.787 1.00 0.00 N ATOM 544 CA MET A 75 -11.208 1.274 -8.275 1.00 0.00 C ATOM 545 C MET A 75 -10.936 -0.242 -8.349 1.00 0.00 C ATOM 546 O MET A 75 -11.948 -0.918 -8.359 1.00 0.00 O ATOM 547 CB MET A 75 -11.637 1.748 -9.670 1.00 0.00 C ATOM 548 CG MET A 75 -10.532 1.476 -10.696 1.00 0.00 C ATOM 549 SD MET A 75 -10.843 2.021 -12.394 1.00 0.00 S ATOM 550 CE MET A 75 -10.254 3.722 -12.205 1.00 0.00 C ATOM 0 H MET A 75 -9.194 1.892 -8.087 1.00 0.00 H new ATOM 0 HA MET A 75 -11.977 1.369 -7.508 1.00 0.00 H new ATOM 0 HB2 MET A 75 -12.552 1.236 -9.969 1.00 0.00 H new ATOM 0 HB3 MET A 75 -11.862 2.814 -9.644 1.00 0.00 H new ATOM 0 HG2 MET A 75 -9.618 1.957 -10.347 1.00 0.00 H new ATOM 0 HG3 MET A 75 -10.341 0.403 -10.713 1.00 0.00 H new ATOM 0 HE1 MET A 75 -10.534 4.304 -13.083 1.00 0.00 H new ATOM 0 HE2 MET A 75 -10.704 4.166 -11.317 1.00 0.00 H new ATOM 0 HE3 MET A 75 -9.169 3.722 -12.100 1.00 0.00 H new ATOM 560 N THR A 76 -9.736 -0.820 -8.392 1.00 0.00 N ATOM 561 CA THR A 76 -9.820 -2.322 -8.490 1.00 0.00 C ATOM 562 C THR A 76 -9.522 -3.183 -7.315 1.00 0.00 C ATOM 563 O THR A 76 -8.654 -2.938 -6.509 1.00 0.00 O ATOM 564 CB THR A 76 -8.946 -2.862 -9.594 1.00 0.00 C ATOM 565 OG1 THR A 76 -9.677 -4.021 -9.973 1.00 0.00 O ATOM 566 CG2 THR A 76 -7.673 -3.543 -9.114 1.00 0.00 C ATOM 0 H THR A 76 -8.816 -0.381 -8.367 1.00 0.00 H new ATOM 0 HA THR A 76 -10.896 -2.398 -8.649 1.00 0.00 H new ATOM 0 HB THR A 76 -8.717 -2.055 -10.290 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.209 -4.479 -10.703 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.106 -3.901 -9.973 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.069 -2.831 -8.551 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.931 -4.386 -8.473 1.00 0.00 H new ATOM 574 N ARG A 77 -10.329 -4.187 -7.314 1.00 0.00 N ATOM 575 CA ARG A 77 -10.281 -5.249 -6.278 1.00 0.00 C ATOM 576 C ARG A 77 -9.740 -6.521 -6.935 1.00 0.00 C ATOM 577 O ARG A 77 -9.771 -6.637 -8.143 1.00 0.00 O ATOM 578 CB ARG A 77 -11.685 -5.476 -5.718 1.00 0.00 C ATOM 579 CG ARG A 77 -12.679 -5.742 -6.850 1.00 0.00 C ATOM 580 CD ARG A 77 -14.062 -5.918 -6.225 1.00 0.00 C ATOM 581 NE ARG A 77 -15.062 -5.998 -7.325 1.00 0.00 N ATOM 582 CZ ARG A 77 -15.991 -5.084 -7.396 1.00 0.00 C ATOM 583 NH1 ARG A 77 -15.636 -3.843 -7.590 1.00 0.00 N ATOM 584 NH2 ARG A 77 -17.239 -5.438 -7.268 1.00 0.00 N ATOM 0 H ARG A 77 -11.054 -4.327 -8.017 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.632 -4.962 -5.451 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -11.676 -6.321 -5.029 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -12.000 -4.603 -5.147 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -12.682 -4.913 -7.558 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -12.395 -6.635 -7.406 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -14.092 -6.822 -5.617 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -14.290 -5.082 -5.564 1.00 0.00 H new ATOM 0 HE ARG A 77 -15.022 -6.753 -8.010 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -14.649 -3.603 -7.683 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -16.346 -3.113 -7.649 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -17.478 -6.418 -7.115 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -17.976 -4.735 -7.321 1.00 0.00 H new ATOM 598 N ARG A 78 -9.260 -7.444 -6.154 1.00 0.00 N ATOM 599 CA ARG A 78 -8.737 -8.709 -6.743 1.00 0.00 C ATOM 600 C ARG A 78 -9.033 -9.704 -5.619 1.00 0.00 C ATOM 601 O ARG A 78 -8.150 -10.315 -5.047 1.00 0.00 O ATOM 602 CB ARG A 78 -7.242 -8.539 -7.009 1.00 0.00 C ATOM 603 CG ARG A 78 -6.816 -9.351 -8.237 1.00 0.00 C ATOM 604 CD ARG A 78 -6.942 -10.850 -7.989 1.00 0.00 C ATOM 605 NE ARG A 78 -6.478 -11.523 -9.233 1.00 0.00 N ATOM 606 CZ ARG A 78 -5.377 -12.220 -9.210 1.00 0.00 C ATOM 607 NH1 ARG A 78 -4.237 -11.586 -9.168 1.00 0.00 N ATOM 608 NH2 ARG A 78 -5.451 -13.524 -9.230 1.00 0.00 N ATOM 0 H ARG A 78 -9.206 -7.380 -5.137 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.169 -9.018 -7.695 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.013 -7.485 -7.166 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.673 -8.862 -6.137 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.432 -9.070 -9.091 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.785 -9.109 -8.494 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.338 -11.154 -7.134 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.973 -11.121 -7.763 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.017 -11.439 -10.095 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.221 -10.566 -9.154 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.362 -12.110 -9.149 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.361 -13.983 -9.263 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.598 -14.084 -9.212 1.00 0.00 H new ATOM 622 N ILE A 79 -10.302 -9.834 -5.336 1.00 0.00 N ATOM 623 CA ILE A 79 -10.727 -10.760 -4.252 1.00 0.00 C ATOM 624 C ILE A 79 -10.938 -12.234 -4.447 1.00 0.00 C ATOM 625 O ILE A 79 -11.229 -12.761 -5.502 1.00 0.00 O ATOM 626 CB ILE A 79 -12.013 -10.233 -3.653 1.00 0.00 C ATOM 627 CG1 ILE A 79 -13.080 -10.058 -4.755 1.00 0.00 C ATOM 628 CG2 ILE A 79 -11.630 -8.920 -3.090 1.00 0.00 C ATOM 629 CD1 ILE A 79 -14.420 -9.671 -4.116 1.00 0.00 C ATOM 0 H ILE A 79 -11.059 -9.340 -5.808 1.00 0.00 H new ATOM 0 HA ILE A 79 -9.816 -10.746 -3.654 1.00 0.00 H new ATOM 0 HB ILE A 79 -12.441 -10.902 -2.906 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -12.766 -9.289 -5.460 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -13.189 -10.984 -5.320 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -12.501 -8.454 -2.629 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -10.853 -9.059 -2.339 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.254 -8.278 -3.887 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -15.172 -9.548 -4.895 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -14.735 -10.456 -3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -14.306 -8.734 -3.570 1.00 0.00 H new ATOM 641 N MET A 80 -10.750 -12.814 -3.295 1.00 0.00 N ATOM 642 CA MET A 80 -10.887 -14.283 -3.121 1.00 0.00 C ATOM 643 C MET A 80 -11.305 -14.604 -1.692 1.00 0.00 C ATOM 644 O MET A 80 -10.859 -15.552 -1.077 1.00 0.00 O ATOM 645 CB MET A 80 -9.548 -14.937 -3.464 1.00 0.00 C ATOM 646 CG MET A 80 -8.428 -14.359 -2.578 1.00 0.00 C ATOM 647 SD MET A 80 -6.765 -15.023 -2.839 1.00 0.00 S ATOM 648 CE MET A 80 -6.983 -16.554 -1.899 1.00 0.00 C ATOM 0 H MET A 80 -10.500 -12.313 -2.443 1.00 0.00 H new ATOM 0 HA MET A 80 -11.659 -14.673 -3.785 1.00 0.00 H new ATOM 0 HB2 MET A 80 -9.615 -16.015 -3.320 1.00 0.00 H new ATOM 0 HB3 MET A 80 -9.312 -14.770 -4.515 1.00 0.00 H new ATOM 0 HG2 MET A 80 -8.393 -13.281 -2.734 1.00 0.00 H new ATOM 0 HG3 MET A 80 -8.700 -14.522 -1.535 1.00 0.00 H new ATOM 0 HE1 MET A 80 -6.060 -17.132 -1.927 1.00 0.00 H new ATOM 0 HE2 MET A 80 -7.230 -16.314 -0.865 1.00 0.00 H new ATOM 0 HE3 MET A 80 -7.791 -17.139 -2.339 1.00 0.00 H new ATOM 658 N GLY A 81 -12.176 -13.764 -1.224 1.00 0.00 N ATOM 659 CA GLY A 81 -12.714 -13.910 0.164 1.00 0.00 C ATOM 660 C GLY A 81 -11.966 -13.018 1.168 1.00 0.00 C ATOM 661 O GLY A 81 -12.479 -12.028 1.648 1.00 0.00 O ATOM 0 H GLY A 81 -12.547 -12.970 -1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.774 -13.654 0.171 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.635 -14.952 0.476 1.00 0.00 H new ATOM 665 N LYS A 82 -10.754 -13.419 1.444 1.00 0.00 N ATOM 666 CA LYS A 82 -9.874 -12.678 2.400 1.00 0.00 C ATOM 667 C LYS A 82 -8.724 -12.181 1.587 1.00 0.00 C ATOM 668 O LYS A 82 -8.823 -12.275 0.380 1.00 0.00 O ATOM 669 CB LYS A 82 -9.376 -13.627 3.489 1.00 0.00 C ATOM 670 CG LYS A 82 -10.575 -14.275 4.183 1.00 0.00 C ATOM 671 CD LYS A 82 -10.041 -15.129 5.336 1.00 0.00 C ATOM 672 CE LYS A 82 -11.219 -15.646 6.161 1.00 0.00 C ATOM 673 NZ LYS A 82 -10.714 -16.438 7.317 1.00 0.00 N ATOM 0 H LYS A 82 -10.325 -14.250 1.037 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.403 -11.861 2.891 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.735 -14.394 3.054 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.773 -13.081 4.215 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -11.258 -13.513 4.557 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.137 -14.890 3.480 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.459 -15.964 4.947 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.373 -14.539 5.963 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.821 -14.810 6.516 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.867 -16.264 5.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.518 -16.788 7.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.157 -17.244 6.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -10.113 -15.835 7.915 1.00 0.00 H new ATOM 687 N ALA A 83 -7.713 -11.696 2.271 1.00 0.00 N ATOM 688 CA ALA A 83 -6.506 -11.148 1.614 1.00 0.00 C ATOM 689 C ALA A 83 -6.532 -11.204 0.132 1.00 0.00 C ATOM 690 O ALA A 83 -6.427 -12.209 -0.547 1.00 0.00 O ATOM 691 CB ALA A 83 -5.423 -11.823 2.029 1.00 0.00 C ATOM 0 H ALA A 83 -7.685 -11.661 3.290 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.476 -10.096 1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.534 -11.419 1.544 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.324 -11.723 3.110 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.530 -12.876 1.770 1.00 0.00 H new ATOM 697 N SER A 84 -6.665 -9.998 -0.264 1.00 0.00 N ATOM 698 CA SER A 84 -6.767 -9.642 -1.671 1.00 0.00 C ATOM 699 C SER A 84 -5.720 -8.671 -2.131 1.00 0.00 C ATOM 700 O SER A 84 -4.874 -8.242 -1.381 1.00 0.00 O ATOM 701 CB SER A 84 -8.142 -9.128 -1.749 1.00 0.00 C ATOM 702 OG SER A 84 -8.904 -10.319 -1.636 1.00 0.00 O ATOM 0 H SER A 84 -6.709 -9.200 0.369 1.00 0.00 H new ATOM 0 HA SER A 84 -6.581 -10.478 -2.346 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.362 -8.424 -0.946 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.332 -8.609 -2.688 1.00 0.00 H new ATOM 0 HG SER A 84 -9.379 -10.323 -0.779 1.00 0.00 H new ATOM 708 N PHE A 85 -5.813 -8.361 -3.387 1.00 0.00 N ATOM 709 CA PHE A 85 -4.872 -7.421 -3.991 1.00 0.00 C ATOM 710 C PHE A 85 -5.815 -6.336 -4.507 1.00 0.00 C ATOM 711 O PHE A 85 -6.909 -6.612 -4.947 1.00 0.00 O ATOM 712 CB PHE A 85 -4.163 -8.238 -5.024 1.00 0.00 C ATOM 713 CG PHE A 85 -3.771 -9.555 -4.314 1.00 0.00 C ATOM 714 CD1 PHE A 85 -3.061 -9.551 -3.121 1.00 0.00 C ATOM 715 CD2 PHE A 85 -4.152 -10.765 -4.852 1.00 0.00 C ATOM 716 CE1 PHE A 85 -2.741 -10.731 -2.472 1.00 0.00 C ATOM 717 CE2 PHE A 85 -3.835 -11.948 -4.214 1.00 0.00 C ATOM 718 CZ PHE A 85 -3.132 -11.933 -3.026 1.00 0.00 C ATOM 0 H PHE A 85 -6.518 -8.732 -4.023 1.00 0.00 H new ATOM 0 HA PHE A 85 -4.097 -6.950 -3.386 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.808 -8.432 -5.881 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.282 -7.717 -5.399 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.753 -8.609 -2.691 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.703 -10.788 -5.780 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.191 -10.711 -1.542 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.139 -12.890 -4.647 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.888 -12.861 -2.531 1.00 0.00 H new ATOM 728 N VAL A 86 -5.369 -5.123 -4.424 1.00 0.00 N ATOM 729 CA VAL A 86 -6.189 -3.965 -4.880 1.00 0.00 C ATOM 730 C VAL A 86 -5.312 -3.047 -5.723 1.00 0.00 C ATOM 731 O VAL A 86 -4.115 -3.229 -5.760 1.00 0.00 O ATOM 732 CB VAL A 86 -6.625 -3.398 -3.599 1.00 0.00 C ATOM 733 CG1 VAL A 86 -5.525 -2.559 -2.986 1.00 0.00 C ATOM 734 CG2 VAL A 86 -7.908 -2.661 -3.809 1.00 0.00 C ATOM 0 H VAL A 86 -4.452 -4.874 -4.052 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.041 -4.183 -5.524 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.823 -4.187 -2.873 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.868 -2.147 -2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.646 -3.180 -2.816 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.268 -1.744 -3.663 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.242 -2.235 -2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.754 -1.861 -4.533 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.666 -3.349 -4.185 1.00 0.00 H new ATOM 744 N THR A 87 -5.904 -2.102 -6.391 1.00 0.00 N ATOM 745 CA THR A 87 -5.088 -1.166 -7.205 1.00 0.00 C ATOM 746 C THR A 87 -5.696 0.143 -6.798 1.00 0.00 C ATOM 747 O THR A 87 -6.881 0.347 -7.045 1.00 0.00 O ATOM 748 CB THR A 87 -5.261 -1.290 -8.700 1.00 0.00 C ATOM 749 OG1 THR A 87 -4.830 -2.609 -8.998 1.00 0.00 O ATOM 750 CG2 THR A 87 -4.159 -0.408 -9.270 1.00 0.00 C ATOM 0 H THR A 87 -6.910 -1.937 -6.409 1.00 0.00 H new ATOM 0 HA THR A 87 -4.023 -1.326 -7.035 1.00 0.00 H new ATOM 0 HB THR A 87 -6.264 -1.055 -9.056 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.914 -2.771 -9.961 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.201 -0.431 -10.359 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.297 0.616 -8.923 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.189 -0.776 -8.936 1.00 0.00 H new ATOM 758 N LEU A 88 -4.801 0.909 -6.203 1.00 0.00 N ATOM 759 CA LEU A 88 -5.058 2.273 -5.650 1.00 0.00 C ATOM 760 C LEU A 88 -4.114 3.340 -6.119 1.00 0.00 C ATOM 761 O LEU A 88 -2.990 3.073 -6.470 1.00 0.00 O ATOM 762 CB LEU A 88 -4.883 2.333 -4.207 1.00 0.00 C ATOM 763 CG LEU A 88 -6.055 1.934 -3.301 1.00 0.00 C ATOM 764 CD1 LEU A 88 -6.836 3.213 -3.004 1.00 0.00 C ATOM 765 CD2 LEU A 88 -6.951 0.864 -3.921 1.00 0.00 C ATOM 0 H LEU A 88 -3.834 0.610 -6.075 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.078 2.450 -5.992 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.037 1.696 -3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.602 3.355 -3.951 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.674 1.481 -2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.684 2.980 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.185 3.929 -2.502 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.197 3.644 -3.938 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.761 0.624 -3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.368 1.236 -4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.364 -0.033 -4.117 1.00 0.00 H new ATOM 777 N GLN A 89 -4.593 4.545 -6.103 1.00 0.00 N ATOM 778 CA GLN A 89 -3.805 5.639 -6.504 1.00 0.00 C ATOM 779 C GLN A 89 -4.435 6.864 -5.806 1.00 0.00 C ATOM 780 O GLN A 89 -4.872 6.870 -4.671 1.00 0.00 O ATOM 781 CB GLN A 89 -3.833 5.863 -7.913 1.00 0.00 C ATOM 782 CG GLN A 89 -2.453 6.642 -7.830 1.00 0.00 C ATOM 783 CD GLN A 89 -2.294 7.945 -8.653 1.00 0.00 C ATOM 784 OE1 GLN A 89 -3.249 8.577 -9.048 1.00 0.00 O ATOM 785 NE2 GLN A 89 -1.101 8.401 -8.921 1.00 0.00 N ATOM 0 H GLN A 89 -5.540 4.784 -5.810 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.763 5.457 -6.240 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -3.810 4.958 -8.520 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.674 6.461 -8.264 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.271 6.886 -6.783 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.665 5.956 -8.139 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -0.277 7.892 -8.602 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -0.993 9.267 -9.449 1.00 0.00 H new ATOM 794 N ASP A 90 -4.429 7.863 -6.628 1.00 0.00 N ATOM 795 CA ASP A 90 -4.963 9.209 -6.317 1.00 0.00 C ATOM 796 C ASP A 90 -5.646 9.628 -7.582 1.00 0.00 C ATOM 797 O ASP A 90 -6.353 8.825 -8.155 1.00 0.00 O ATOM 798 CB ASP A 90 -3.749 10.092 -5.805 1.00 0.00 C ATOM 799 CG ASP A 90 -2.422 9.954 -6.530 1.00 0.00 C ATOM 800 OD1 ASP A 90 -2.228 10.685 -7.482 1.00 0.00 O ATOM 801 OD2 ASP A 90 -1.669 9.113 -6.069 1.00 0.00 O ATOM 0 H ASP A 90 -4.047 7.793 -7.571 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.697 9.288 -5.515 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.051 11.138 -5.854 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.583 9.857 -4.754 1.00 0.00 H new ATOM 806 N VAL A 91 -5.425 10.840 -7.940 1.00 0.00 N ATOM 807 CA VAL A 91 -5.994 11.477 -9.158 1.00 0.00 C ATOM 808 C VAL A 91 -6.369 10.482 -10.282 1.00 0.00 C ATOM 809 O VAL A 91 -7.361 10.665 -10.960 1.00 0.00 O ATOM 810 CB VAL A 91 -4.979 12.483 -9.612 1.00 0.00 C ATOM 811 CG1 VAL A 91 -3.777 11.752 -10.117 1.00 0.00 C ATOM 812 CG2 VAL A 91 -5.676 13.253 -10.690 1.00 0.00 C ATOM 0 H VAL A 91 -4.829 11.469 -7.402 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.948 11.944 -8.912 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.628 13.153 -8.828 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.028 12.470 -10.451 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.361 11.140 -9.317 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.064 11.112 -10.951 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.005 14.016 -11.084 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.965 12.575 -11.493 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.566 13.729 -10.279 1.00 0.00 H new ATOM 822 N GLY A 92 -5.572 9.457 -10.447 1.00 0.00 N ATOM 823 CA GLY A 92 -5.844 8.432 -11.495 1.00 0.00 C ATOM 824 C GLY A 92 -4.590 7.820 -12.137 1.00 0.00 C ATOM 825 O GLY A 92 -4.472 7.806 -13.345 1.00 0.00 O ATOM 0 H GLY A 92 -4.734 9.286 -9.892 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -6.438 7.631 -11.055 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.452 8.885 -12.278 1.00 0.00 H new ATOM 829 N GLY A 93 -3.676 7.323 -11.342 1.00 0.00 N ATOM 830 CA GLY A 93 -2.444 6.714 -11.985 1.00 0.00 C ATOM 831 C GLY A 93 -1.898 5.932 -10.872 1.00 0.00 C ATOM 832 O GLY A 93 -0.965 6.265 -10.178 1.00 0.00 O ATOM 0 H GLY A 93 -3.711 7.305 -10.323 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.694 6.090 -12.843 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.745 7.473 -12.336 1.00 0.00 H new ATOM 836 N ARG A 94 -2.514 4.829 -10.805 1.00 0.00 N ATOM 837 CA ARG A 94 -2.199 3.907 -9.754 1.00 0.00 C ATOM 838 C ARG A 94 -1.026 2.970 -9.834 1.00 0.00 C ATOM 839 O ARG A 94 -0.309 2.824 -10.805 1.00 0.00 O ATOM 840 CB ARG A 94 -3.293 3.051 -9.583 1.00 0.00 C ATOM 841 CG ARG A 94 -4.585 3.645 -9.816 1.00 0.00 C ATOM 842 CD ARG A 94 -5.280 2.960 -11.003 1.00 0.00 C ATOM 843 NE ARG A 94 -4.434 3.139 -12.218 1.00 0.00 N ATOM 844 CZ ARG A 94 -3.928 2.089 -12.803 1.00 0.00 C ATOM 845 NH1 ARG A 94 -4.731 1.144 -13.212 1.00 0.00 N ATOM 846 NH2 ARG A 94 -2.635 2.024 -12.957 1.00 0.00 N ATOM 0 H ARG A 94 -3.240 4.523 -11.453 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.936 4.610 -8.964 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -3.176 2.201 -10.255 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -3.270 2.659 -8.566 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -5.202 3.553 -8.922 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.472 4.710 -10.017 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -5.425 1.900 -10.796 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -6.268 3.391 -11.163 1.00 0.00 H new ATOM 0 HE ARG A 94 -4.253 4.072 -12.587 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -5.737 1.234 -13.072 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.352 0.316 -13.671 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -2.043 2.784 -12.623 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -2.216 1.213 -13.412 1.00 0.00 H new ATOM 860 N ILE A 95 -0.953 2.375 -8.680 1.00 0.00 N ATOM 861 CA ILE A 95 0.073 1.352 -8.361 1.00 0.00 C ATOM 862 C ILE A 95 -0.775 0.256 -7.713 1.00 0.00 C ATOM 863 O ILE A 95 -1.928 0.496 -7.380 1.00 0.00 O ATOM 864 CB ILE A 95 1.137 1.978 -7.396 1.00 0.00 C ATOM 865 CG1 ILE A 95 0.902 1.741 -5.887 1.00 0.00 C ATOM 866 CG2 ILE A 95 1.124 3.490 -7.665 1.00 0.00 C ATOM 867 CD1 ILE A 95 -0.323 2.482 -5.398 1.00 0.00 C ATOM 0 H ILE A 95 -1.594 2.567 -7.911 1.00 0.00 H new ATOM 0 HA ILE A 95 0.652 0.972 -9.203 1.00 0.00 H new ATOM 0 HB ILE A 95 2.088 1.489 -7.606 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.783 0.674 -5.699 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.776 2.069 -5.325 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.850 3.981 -7.017 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.383 3.676 -8.707 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.129 3.887 -7.462 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.461 2.295 -4.333 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.192 3.551 -5.564 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.200 2.135 -5.944 1.00 0.00 H new ATOM 879 N GLN A 96 -0.220 -0.910 -7.532 1.00 0.00 N ATOM 880 CA GLN A 96 -1.074 -1.952 -6.908 1.00 0.00 C ATOM 881 C GLN A 96 -0.620 -2.193 -5.490 1.00 0.00 C ATOM 882 O GLN A 96 0.519 -1.957 -5.138 1.00 0.00 O ATOM 883 CB GLN A 96 -0.964 -3.233 -7.721 1.00 0.00 C ATOM 884 CG GLN A 96 0.318 -3.911 -7.320 1.00 0.00 C ATOM 885 CD GLN A 96 0.594 -5.080 -8.266 1.00 0.00 C ATOM 886 OE1 GLN A 96 -0.176 -6.015 -8.363 1.00 0.00 O ATOM 887 NE2 GLN A 96 1.685 -5.061 -8.981 1.00 0.00 N ATOM 0 H GLN A 96 0.734 -1.176 -7.774 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.113 -1.623 -6.892 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.818 -3.883 -7.531 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.964 -3.012 -8.788 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.144 -3.200 -7.353 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.247 -4.269 -6.293 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.333 -4.277 -8.902 1.00 0.00 H new ATOM 0 HE22 GLN A 96 1.890 -5.830 -9.619 1.00 0.00 H new ATOM 896 N LEU A 97 -1.556 -2.661 -4.717 1.00 0.00 N ATOM 897 CA LEU A 97 -1.266 -2.953 -3.302 1.00 0.00 C ATOM 898 C LEU A 97 -1.623 -4.414 -3.088 1.00 0.00 C ATOM 899 O LEU A 97 -2.242 -5.058 -3.916 1.00 0.00 O ATOM 900 CB LEU A 97 -2.124 -2.156 -2.322 1.00 0.00 C ATOM 901 CG LEU A 97 -2.619 -0.823 -2.878 1.00 0.00 C ATOM 902 CD1 LEU A 97 -3.427 -0.190 -1.761 1.00 0.00 C ATOM 903 CD2 LEU A 97 -1.488 0.134 -3.174 1.00 0.00 C ATOM 0 H LEU A 97 -2.513 -2.853 -5.013 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.222 -2.699 -3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.984 -2.760 -2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.546 -1.969 -1.417 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.170 -1.004 -3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.814 0.774 -2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.259 -0.844 -1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.790 -0.044 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.894 1.066 -3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.934 0.337 -2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.819 -0.310 -3.911 1.00 0.00 H new ATOM 915 N TYR A 98 -1.208 -4.861 -1.946 1.00 0.00 N ATOM 916 CA TYR A 98 -1.424 -6.255 -1.507 1.00 0.00 C ATOM 917 C TYR A 98 -2.095 -6.150 -0.140 1.00 0.00 C ATOM 918 O TYR A 98 -1.447 -5.904 0.856 1.00 0.00 O ATOM 919 CB TYR A 98 -0.009 -6.870 -1.533 1.00 0.00 C ATOM 920 CG TYR A 98 0.213 -8.192 -0.808 1.00 0.00 C ATOM 921 CD1 TYR A 98 -0.779 -9.082 -0.489 1.00 0.00 C ATOM 922 CD2 TYR A 98 1.512 -8.512 -0.488 1.00 0.00 C ATOM 923 CE1 TYR A 98 -0.481 -10.263 0.125 1.00 0.00 C ATOM 924 CE2 TYR A 98 1.819 -9.709 0.139 1.00 0.00 C ATOM 925 CZ TYR A 98 0.812 -10.601 0.449 1.00 0.00 C ATOM 926 OH TYR A 98 1.089 -11.801 1.073 1.00 0.00 O ATOM 0 H TYR A 98 -0.704 -4.288 -1.269 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.071 -6.892 -2.110 1.00 0.00 H new ATOM 0 HB2 TYR A 98 0.274 -7.010 -2.576 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.680 -6.139 -1.111 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.806 -8.846 -0.726 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.305 -7.820 -0.729 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.280 -10.950 0.363 1.00 0.00 H new ATOM 0 HE2 TYR A 98 2.844 -9.944 0.385 1.00 0.00 H new ATOM 0 HH TYR A 98 0.436 -11.957 1.787 1.00 0.00 H new ATOM 936 N VAL A 99 -3.388 -6.352 -0.157 1.00 0.00 N ATOM 937 CA VAL A 99 -4.243 -6.297 1.033 1.00 0.00 C ATOM 938 C VAL A 99 -4.131 -7.657 1.630 1.00 0.00 C ATOM 939 O VAL A 99 -4.799 -8.567 1.191 1.00 0.00 O ATOM 940 CB VAL A 99 -5.641 -6.045 0.592 1.00 0.00 C ATOM 941 CG1 VAL A 99 -6.406 -6.090 1.821 1.00 0.00 C ATOM 942 CG2 VAL A 99 -5.762 -4.709 -0.035 1.00 0.00 C ATOM 0 H VAL A 99 -3.901 -6.565 -1.012 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.962 -5.516 1.740 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.981 -6.767 -0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.459 -5.914 1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.291 -7.069 2.285 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.044 -5.320 2.503 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.793 -4.547 -0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.477 -3.942 0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.105 -4.653 -0.903 1.00 0.00 H new ATOM 952 N ALA A 100 -3.283 -7.775 2.611 1.00 0.00 N ATOM 953 CA ALA A 100 -3.179 -9.124 3.182 1.00 0.00 C ATOM 954 C ALA A 100 -3.393 -9.276 4.680 1.00 0.00 C ATOM 955 O ALA A 100 -2.952 -8.492 5.497 1.00 0.00 O ATOM 956 CB ALA A 100 -1.856 -9.509 2.686 1.00 0.00 C ATOM 0 H ALA A 100 -2.697 -7.044 3.015 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.995 -9.780 2.878 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.617 -10.515 3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -1.856 -9.488 1.596 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -1.109 -8.810 3.062 1.00 0.00 H new ATOM 962 N ARG A 101 -4.098 -10.343 4.945 1.00 0.00 N ATOM 963 CA ARG A 101 -4.465 -10.745 6.329 1.00 0.00 C ATOM 964 C ARG A 101 -3.672 -12.008 6.684 1.00 0.00 C ATOM 965 O ARG A 101 -4.223 -12.983 7.158 1.00 0.00 O ATOM 966 CB ARG A 101 -5.965 -11.027 6.350 1.00 0.00 C ATOM 967 CG ARG A 101 -6.680 -9.838 5.703 1.00 0.00 C ATOM 968 CD ARG A 101 -8.185 -10.112 5.579 1.00 0.00 C ATOM 969 NE ARG A 101 -8.706 -10.647 6.869 1.00 0.00 N ATOM 970 CZ ARG A 101 -9.483 -11.693 6.857 1.00 0.00 C ATOM 971 NH1 ARG A 101 -10.526 -11.680 6.074 1.00 0.00 N ATOM 972 NH2 ARG A 101 -9.194 -12.707 7.626 1.00 0.00 N ATOM 0 H ARG A 101 -4.447 -10.976 4.226 1.00 0.00 H new ATOM 0 HA ARG A 101 -4.234 -9.964 7.054 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -6.187 -11.946 5.808 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -6.312 -11.169 7.374 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -6.517 -8.941 6.300 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.258 -9.646 4.717 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -8.711 -9.194 5.316 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -8.370 -10.827 4.777 1.00 0.00 H new ATOM 0 HE ARG A 101 -8.457 -10.199 7.751 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -10.716 -10.865 5.491 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -11.152 -12.485 6.044 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -8.369 -12.674 8.225 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -9.793 -13.533 7.628 1.00 0.00 H new ATOM 986 N ASP A 102 -2.391 -11.945 6.443 1.00 0.00 N ATOM 987 CA ASP A 102 -1.505 -13.104 6.740 1.00 0.00 C ATOM 988 C ASP A 102 -0.863 -13.080 8.130 1.00 0.00 C ATOM 989 O ASP A 102 -0.889 -14.072 8.831 1.00 0.00 O ATOM 990 CB ASP A 102 -0.418 -13.134 5.686 1.00 0.00 C ATOM 991 CG ASP A 102 -1.028 -13.462 4.320 1.00 0.00 C ATOM 992 OD1 ASP A 102 -1.743 -14.448 4.261 1.00 0.00 O ATOM 993 OD2 ASP A 102 -0.738 -12.703 3.411 1.00 0.00 O ATOM 0 H ASP A 102 -1.917 -11.132 6.049 1.00 0.00 H new ATOM 0 HA ASP A 102 -2.130 -13.997 6.726 1.00 0.00 H new ATOM 0 HB2 ASP A 102 0.089 -12.170 5.646 1.00 0.00 H new ATOM 0 HB3 ASP A 102 0.334 -13.879 5.947 1.00 0.00 H new ATOM 998 N ASP A 103 -0.305 -11.962 8.507 1.00 0.00 N ATOM 999 CA ASP A 103 0.340 -11.883 9.848 1.00 0.00 C ATOM 1000 C ASP A 103 -0.527 -11.128 10.846 1.00 0.00 C ATOM 1001 O ASP A 103 -0.825 -11.622 11.914 1.00 0.00 O ATOM 1002 CB ASP A 103 1.615 -11.217 9.661 1.00 0.00 C ATOM 1003 CG ASP A 103 2.428 -11.975 8.609 1.00 0.00 C ATOM 1004 OD1 ASP A 103 2.754 -13.116 8.888 1.00 0.00 O ATOM 1005 OD2 ASP A 103 2.669 -11.361 7.584 1.00 0.00 O ATOM 0 H ASP A 103 -0.268 -11.108 7.951 1.00 0.00 H new ATOM 0 HA ASP A 103 0.477 -12.882 10.261 1.00 0.00 H new ATOM 0 HB2 ASP A 103 1.458 -10.186 9.343 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.161 -11.180 10.603 1.00 0.00 H new ATOM 1010 N LEU A 104 -0.899 -9.942 10.457 1.00 0.00 N ATOM 1011 CA LEU A 104 -1.754 -9.071 11.305 1.00 0.00 C ATOM 1012 C LEU A 104 -3.075 -9.082 10.549 1.00 0.00 C ATOM 1013 O LEU A 104 -3.244 -8.274 9.658 1.00 0.00 O ATOM 1014 CB LEU A 104 -1.194 -7.659 11.337 1.00 0.00 C ATOM 1015 CG LEU A 104 -0.045 -7.502 12.350 1.00 0.00 C ATOM 1016 CD1 LEU A 104 1.188 -8.312 11.935 1.00 0.00 C ATOM 1017 CD2 LEU A 104 0.336 -6.020 12.413 1.00 0.00 C ATOM 0 H LEU A 104 -0.638 -9.530 9.561 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.829 -9.404 12.340 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.836 -7.391 10.343 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.993 -6.961 11.587 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.380 -7.870 13.319 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.978 -8.176 12.674 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.926 -9.368 11.874 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.539 -7.968 10.962 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.150 -5.883 13.125 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.657 -5.685 11.427 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.527 -5.436 12.732 1.00 0.00 H new ATOM 1029 N PRO A 105 -3.965 -9.982 10.896 1.00 0.00 N ATOM 1030 CA PRO A 105 -5.037 -10.434 9.983 1.00 0.00 C ATOM 1031 C PRO A 105 -6.271 -9.547 9.976 1.00 0.00 C ATOM 1032 O PRO A 105 -7.395 -9.980 10.132 1.00 0.00 O ATOM 1033 CB PRO A 105 -5.306 -11.841 10.459 1.00 0.00 C ATOM 1034 CG PRO A 105 -5.250 -11.632 11.997 1.00 0.00 C ATOM 1035 CD PRO A 105 -4.036 -10.688 12.203 1.00 0.00 C ATOM 0 HA PRO A 105 -4.738 -10.386 8.936 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -6.275 -12.214 10.126 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.554 -12.548 10.109 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -6.171 -11.186 12.373 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.115 -12.577 12.524 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.193 -9.997 13.031 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -3.122 -11.241 12.418 1.00 0.00 H new ATOM 1043 N GLU A 106 -5.969 -8.303 9.784 1.00 0.00 N ATOM 1044 CA GLU A 106 -6.863 -7.202 9.711 1.00 0.00 C ATOM 1045 C GLU A 106 -7.952 -7.320 8.705 1.00 0.00 C ATOM 1046 O GLU A 106 -8.132 -8.304 8.022 1.00 0.00 O ATOM 1047 CB GLU A 106 -5.991 -6.080 9.425 1.00 0.00 C ATOM 1048 CG GLU A 106 -5.871 -5.381 10.664 1.00 0.00 C ATOM 1049 CD GLU A 106 -4.893 -4.214 10.500 1.00 0.00 C ATOM 1050 OE1 GLU A 106 -5.206 -3.351 9.697 1.00 0.00 O ATOM 1051 OE2 GLU A 106 -3.888 -4.259 11.191 1.00 0.00 O ATOM 0 H GLU A 106 -4.999 -8.010 9.664 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.426 -7.111 10.640 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.019 -6.417 9.066 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -6.412 -5.440 8.650 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.846 -5.010 10.980 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -5.519 -6.058 11.443 1.00 0.00 H new ATOM 1058 N GLY A 107 -8.660 -6.241 8.665 1.00 0.00 N ATOM 1059 CA GLY A 107 -9.767 -6.165 7.724 1.00 0.00 C ATOM 1060 C GLY A 107 -9.398 -4.911 7.085 1.00 0.00 C ATOM 1061 O GLY A 107 -8.361 -4.937 6.462 1.00 0.00 O ATOM 0 H GLY A 107 -8.513 -5.415 9.245 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -9.795 -7.005 7.030 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -10.740 -6.124 8.213 1.00 0.00 H new ATOM 1065 N VAL A 108 -10.159 -3.887 7.376 1.00 0.00 N ATOM 1066 CA VAL A 108 -10.052 -2.475 6.814 1.00 0.00 C ATOM 1067 C VAL A 108 -8.930 -2.526 5.817 1.00 0.00 C ATOM 1068 O VAL A 108 -7.871 -1.937 5.739 1.00 0.00 O ATOM 1069 CB VAL A 108 -9.717 -1.717 7.888 1.00 0.00 C ATOM 1070 CG1 VAL A 108 -9.345 -0.256 7.566 1.00 0.00 C ATOM 1071 CG2 VAL A 108 -10.895 -1.783 8.830 1.00 0.00 C ATOM 0 H VAL A 108 -10.926 -3.972 8.043 1.00 0.00 H new ATOM 0 HA VAL A 108 -10.948 -2.085 6.332 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.803 -2.118 8.326 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -9.093 0.267 8.489 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -8.488 -0.239 6.893 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -10.191 0.238 7.088 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -10.684 -1.189 9.719 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -11.781 -1.389 8.332 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -11.072 -2.819 9.120 1.00 0.00 H new ATOM 1081 N TYR A 109 -9.478 -3.423 5.079 1.00 0.00 N ATOM 1082 CA TYR A 109 -8.966 -4.052 3.863 1.00 0.00 C ATOM 1083 C TYR A 109 -9.280 -3.545 2.493 1.00 0.00 C ATOM 1084 O TYR A 109 -9.389 -2.377 2.195 1.00 0.00 O ATOM 1085 CB TYR A 109 -9.348 -5.669 4.208 1.00 0.00 C ATOM 1086 CG TYR A 109 -9.691 -6.843 3.259 1.00 0.00 C ATOM 1087 CD1 TYR A 109 -10.934 -7.028 2.691 1.00 0.00 C ATOM 1088 CD2 TYR A 109 -8.683 -7.728 2.967 1.00 0.00 C ATOM 1089 CE1 TYR A 109 -11.152 -8.086 1.836 1.00 0.00 C ATOM 1090 CE2 TYR A 109 -8.882 -8.785 2.118 1.00 0.00 C ATOM 1091 CZ TYR A 109 -10.130 -8.971 1.541 1.00 0.00 C ATOM 1092 OH TYR A 109 -10.367 -10.017 0.677 1.00 0.00 O ATOM 0 H TYR A 109 -10.399 -3.791 5.319 1.00 0.00 H new ATOM 0 HA TYR A 109 -7.916 -3.807 3.705 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -8.501 -6.030 4.792 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -10.200 -5.609 4.885 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -11.738 -6.343 2.917 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -7.711 -7.588 3.417 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -12.127 -8.226 1.393 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -8.074 -9.468 1.900 1.00 0.00 H new ATOM 0 HH TYR A 109 -11.082 -10.583 1.037 1.00 0.00 H new ATOM 1102 N ASN A 110 -9.348 -4.568 1.739 1.00 0.00 N ATOM 1103 CA ASN A 110 -9.639 -4.602 0.302 1.00 0.00 C ATOM 1104 C ASN A 110 -11.097 -4.297 0.192 1.00 0.00 C ATOM 1105 O ASN A 110 -11.563 -3.798 -0.816 1.00 0.00 O ATOM 1106 CB ASN A 110 -9.381 -5.986 -0.280 1.00 0.00 C ATOM 1107 CG ASN A 110 -9.516 -5.908 -1.796 1.00 0.00 C ATOM 1108 OD1 ASN A 110 -8.673 -5.374 -2.487 1.00 0.00 O ATOM 1109 ND2 ASN A 110 -10.564 -6.428 -2.358 1.00 0.00 N ATOM 0 H ASN A 110 -9.193 -5.504 2.112 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.009 -3.897 -0.241 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -8.384 -6.332 -0.006 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -10.091 -6.706 0.127 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -10.673 -6.386 -3.371 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -11.278 -6.879 -1.786 1.00 0.00 H new ATOM 1116 N GLU A 111 -11.800 -4.577 1.254 1.00 0.00 N ATOM 1117 CA GLU A 111 -13.202 -4.329 1.139 1.00 0.00 C ATOM 1118 C GLU A 111 -13.510 -2.966 1.584 1.00 0.00 C ATOM 1119 O GLU A 111 -14.363 -2.253 1.106 1.00 0.00 O ATOM 1120 CB GLU A 111 -13.947 -5.263 1.956 1.00 0.00 C ATOM 1121 CG GLU A 111 -15.292 -4.999 1.363 1.00 0.00 C ATOM 1122 CD GLU A 111 -16.259 -4.484 2.430 1.00 0.00 C ATOM 1123 OE1 GLU A 111 -16.516 -5.252 3.342 1.00 0.00 O ATOM 1124 OE2 GLU A 111 -16.682 -3.349 2.272 1.00 0.00 O ATOM 0 H GLU A 111 -11.459 -4.948 2.141 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.485 -4.451 0.093 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -13.620 -6.295 1.834 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -13.896 -5.037 3.021 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -15.204 -4.267 0.560 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -15.685 -5.913 0.919 1.00 0.00 H new ATOM 1131 N GLN A 112 -12.758 -2.672 2.563 1.00 0.00 N ATOM 1132 CA GLN A 112 -12.843 -1.412 3.172 1.00 0.00 C ATOM 1133 C GLN A 112 -12.528 -0.577 1.958 1.00 0.00 C ATOM 1134 O GLN A 112 -13.237 0.346 1.626 1.00 0.00 O ATOM 1135 CB GLN A 112 -11.861 -1.688 4.204 1.00 0.00 C ATOM 1136 CG GLN A 112 -12.334 -0.795 5.228 1.00 0.00 C ATOM 1137 CD GLN A 112 -13.430 -1.446 6.087 1.00 0.00 C ATOM 1138 OE1 GLN A 112 -13.274 -2.515 6.645 1.00 0.00 O ATOM 1139 NE2 GLN A 112 -14.566 -0.819 6.216 1.00 0.00 N ATOM 0 H GLN A 112 -12.063 -3.300 2.967 1.00 0.00 H new ATOM 0 HA GLN A 112 -13.696 -0.930 3.649 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.869 -2.731 4.521 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.844 -1.459 3.886 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -11.501 -0.498 5.865 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.723 0.113 4.768 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -14.709 0.078 5.753 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -15.312 -1.226 6.780 1.00 0.00 H new ATOM 1148 N PHE A 113 -11.462 -0.955 1.326 1.00 0.00 N ATOM 1149 CA PHE A 113 -10.984 -0.273 0.098 1.00 0.00 C ATOM 1150 C PHE A 113 -12.107 -0.191 -0.895 1.00 0.00 C ATOM 1151 O PHE A 113 -12.258 0.741 -1.659 1.00 0.00 O ATOM 1152 CB PHE A 113 -9.968 -1.004 -0.613 1.00 0.00 C ATOM 1153 CG PHE A 113 -8.524 -0.602 -0.236 1.00 0.00 C ATOM 1154 CD1 PHE A 113 -8.154 0.707 0.077 1.00 0.00 C ATOM 1155 CD2 PHE A 113 -7.545 -1.567 -0.227 1.00 0.00 C ATOM 1156 CE1 PHE A 113 -6.846 1.010 0.386 1.00 0.00 C ATOM 1157 CE2 PHE A 113 -6.246 -1.264 0.080 1.00 0.00 C ATOM 1158 CZ PHE A 113 -5.888 0.025 0.389 1.00 0.00 C ATOM 0 H PHE A 113 -10.879 -1.739 1.621 1.00 0.00 H new ATOM 0 HA PHE A 113 -10.601 0.687 0.443 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -10.100 -2.069 -0.421 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -10.108 -0.853 -1.683 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -8.899 1.489 0.077 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -7.807 -2.587 -0.468 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -6.572 2.027 0.627 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -5.498 -2.043 0.079 1.00 0.00 H new ATOM 0 HZ PHE A 113 -4.863 0.263 0.632 1.00 0.00 H new ATOM 1168 N LYS A 114 -12.870 -1.239 -0.813 1.00 0.00 N ATOM 1169 CA LYS A 114 -14.028 -1.317 -1.765 1.00 0.00 C ATOM 1170 C LYS A 114 -15.003 -0.207 -1.433 1.00 0.00 C ATOM 1171 O LYS A 114 -15.650 0.374 -2.280 1.00 0.00 O ATOM 1172 CB LYS A 114 -14.743 -2.672 -1.650 1.00 0.00 C ATOM 1173 CG LYS A 114 -15.621 -2.900 -2.877 1.00 0.00 C ATOM 1174 CD LYS A 114 -16.314 -4.257 -2.702 1.00 0.00 C ATOM 1175 CE LYS A 114 -17.125 -4.574 -3.959 1.00 0.00 C ATOM 1176 NZ LYS A 114 -18.178 -3.542 -4.167 1.00 0.00 N ATOM 0 H LYS A 114 -12.760 -2.017 -0.163 1.00 0.00 H new ATOM 0 HA LYS A 114 -13.657 -1.211 -2.784 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -14.010 -3.474 -1.562 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -15.352 -2.696 -0.746 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -16.358 -2.103 -2.975 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -15.019 -2.891 -3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -15.573 -5.037 -2.527 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -16.967 -4.235 -1.829 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -16.466 -4.611 -4.826 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -17.584 -5.558 -3.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -18.883 -3.897 -4.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -18.643 -3.333 -3.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -17.744 -2.674 -4.541 1.00 0.00 H new ATOM 1190 N LYS A 115 -15.057 0.038 -0.162 1.00 0.00 N ATOM 1191 CA LYS A 115 -15.886 1.015 0.458 1.00 0.00 C ATOM 1192 C LYS A 115 -15.412 2.442 0.254 1.00 0.00 C ATOM 1193 O LYS A 115 -16.236 3.335 0.231 1.00 0.00 O ATOM 1194 CB LYS A 115 -15.914 0.610 1.900 1.00 0.00 C ATOM 1195 CG LYS A 115 -17.313 0.543 2.392 1.00 0.00 C ATOM 1196 CD LYS A 115 -17.977 1.927 2.388 1.00 0.00 C ATOM 1197 CE LYS A 115 -19.348 1.814 3.058 1.00 0.00 C ATOM 1198 NZ LYS A 115 -20.212 0.872 2.291 1.00 0.00 N ATOM 0 H LYS A 115 -14.486 -0.473 0.511 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.881 1.034 0.012 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -15.432 -0.360 2.021 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -15.346 1.324 2.496 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -17.888 -0.139 1.766 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -17.325 0.135 3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -17.354 2.647 2.920 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -18.084 2.292 1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -19.233 1.463 4.084 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -19.820 2.795 3.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -21.206 1.012 2.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -20.104 1.053 1.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -19.930 -0.107 2.500 1.00 0.00 H new ATOM 1212 N TRP A 116 -14.133 2.690 0.105 1.00 0.00 N ATOM 1213 CA TRP A 116 -13.862 4.146 -0.047 1.00 0.00 C ATOM 1214 C TRP A 116 -14.435 4.954 -1.173 1.00 0.00 C ATOM 1215 O TRP A 116 -14.443 4.649 -2.349 1.00 0.00 O ATOM 1216 CB TRP A 116 -12.426 4.468 -0.101 1.00 0.00 C ATOM 1217 CG TRP A 116 -12.079 3.738 1.093 1.00 0.00 C ATOM 1218 CD1 TRP A 116 -11.602 2.557 0.847 1.00 0.00 C ATOM 1219 CD2 TRP A 116 -12.328 3.898 2.381 1.00 0.00 C ATOM 1220 NE1 TRP A 116 -11.581 1.964 1.995 1.00 0.00 N ATOM 1221 CE2 TRP A 116 -12.018 2.717 2.930 1.00 0.00 C ATOM 1222 CE3 TRP A 116 -12.781 4.875 3.183 1.00 0.00 C ATOM 1223 CZ2 TRP A 116 -12.139 2.344 4.159 1.00 0.00 C ATOM 1224 CZ3 TRP A 116 -12.947 4.569 4.538 1.00 0.00 C ATOM 1225 CH2 TRP A 116 -12.632 3.290 5.041 1.00 0.00 C ATOM 0 H TRP A 116 -13.351 2.036 0.083 1.00 0.00 H new ATOM 0 HA TRP A 116 -14.402 4.436 0.854 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -11.929 4.099 -0.998 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -12.215 5.536 -0.037 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -11.291 2.157 -0.107 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -11.254 1.008 2.138 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -13.008 5.858 2.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -11.871 1.349 4.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -13.323 5.326 5.211 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -12.772 3.055 6.086 1.00 0.00 H new ATOM 1236 N ASP A 117 -14.906 6.008 -0.599 1.00 0.00 N ATOM 1237 CA ASP A 117 -15.586 7.143 -1.238 1.00 0.00 C ATOM 1238 C ASP A 117 -14.791 8.392 -1.176 1.00 0.00 C ATOM 1239 O ASP A 117 -13.588 8.462 -1.016 1.00 0.00 O ATOM 1240 CB ASP A 117 -16.886 7.378 -0.550 1.00 0.00 C ATOM 1241 CG ASP A 117 -16.730 7.860 0.895 1.00 0.00 C ATOM 1242 OD1 ASP A 117 -15.951 7.262 1.620 1.00 0.00 O ATOM 1243 OD2 ASP A 117 -17.421 8.816 1.193 1.00 0.00 O ATOM 0 H ASP A 117 -14.832 6.133 0.411 1.00 0.00 H new ATOM 0 HA ASP A 117 -15.728 6.888 -2.288 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -17.458 8.116 -1.112 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -17.465 6.454 -0.557 1.00 0.00 H new ATOM 1248 N LEU A 118 -15.646 9.348 -1.321 1.00 0.00 N ATOM 1249 CA LEU A 118 -15.268 10.751 -1.310 1.00 0.00 C ATOM 1250 C LEU A 118 -15.821 11.636 -0.186 1.00 0.00 C ATOM 1251 O LEU A 118 -16.658 11.289 0.621 1.00 0.00 O ATOM 1252 CB LEU A 118 -15.681 11.135 -2.639 1.00 0.00 C ATOM 1253 CG LEU A 118 -17.196 11.001 -2.867 1.00 0.00 C ATOM 1254 CD1 LEU A 118 -18.057 11.921 -2.136 1.00 0.00 C ATOM 1255 CD2 LEU A 118 -17.548 10.509 -4.204 1.00 0.00 C ATOM 0 H LEU A 118 -16.645 9.191 -1.453 1.00 0.00 H new ATOM 0 HA LEU A 118 -14.212 10.894 -1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -15.383 12.168 -2.821 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -15.155 10.519 -3.368 1.00 0.00 H new ATOM 0 HG LEU A 118 -17.540 10.146 -2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -19.099 11.721 -2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -17.908 11.785 -1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -17.809 12.947 -2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -18.632 10.440 -4.292 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -17.166 11.198 -4.957 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -17.108 9.523 -4.357 1.00 0.00 H new ATOM 1267 N GLY A 119 -15.254 12.796 -0.217 1.00 0.00 N ATOM 1268 CA GLY A 119 -15.541 13.911 0.717 1.00 0.00 C ATOM 1269 C GLY A 119 -14.267 13.885 1.522 1.00 0.00 C ATOM 1270 O GLY A 119 -13.605 14.866 1.788 1.00 0.00 O ATOM 0 H GLY A 119 -14.545 13.035 -0.910 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -15.694 14.860 0.204 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -16.427 13.731 1.326 1.00 0.00 H new ATOM 1274 N ASP A 120 -14.057 12.652 1.869 1.00 0.00 N ATOM 1275 CA ASP A 120 -13.035 12.032 2.614 1.00 0.00 C ATOM 1276 C ASP A 120 -12.028 11.362 1.684 1.00 0.00 C ATOM 1277 O ASP A 120 -12.147 11.473 0.482 1.00 0.00 O ATOM 1278 CB ASP A 120 -13.884 11.180 3.441 1.00 0.00 C ATOM 1279 CG ASP A 120 -14.741 10.142 2.695 1.00 0.00 C ATOM 1280 OD1 ASP A 120 -14.384 9.777 1.587 1.00 0.00 O ATOM 1281 OD2 ASP A 120 -15.722 9.759 3.306 1.00 0.00 O ATOM 0 H ASP A 120 -14.731 11.946 1.573 1.00 0.00 H new ATOM 0 HA ASP A 120 -12.358 12.642 3.212 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -13.249 10.652 4.152 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -14.549 11.820 4.021 1.00 0.00 H new ATOM 1286 N ILE A 121 -11.080 10.686 2.284 1.00 0.00 N ATOM 1287 CA ILE A 121 -10.011 9.967 1.507 1.00 0.00 C ATOM 1288 C ILE A 121 -9.137 9.031 2.377 1.00 0.00 C ATOM 1289 O ILE A 121 -9.278 8.933 3.578 1.00 0.00 O ATOM 1290 CB ILE A 121 -9.250 11.091 0.856 1.00 0.00 C ATOM 1291 CG1 ILE A 121 -9.432 10.997 -0.685 1.00 0.00 C ATOM 1292 CG2 ILE A 121 -7.763 11.119 1.201 1.00 0.00 C ATOM 1293 CD1 ILE A 121 -8.750 12.171 -1.402 1.00 0.00 C ATOM 0 H ILE A 121 -10.997 10.598 3.297 1.00 0.00 H new ATOM 0 HA ILE A 121 -10.417 9.267 0.777 1.00 0.00 H new ATOM 0 HB ILE A 121 -9.664 12.020 1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -9.015 10.057 -1.046 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -10.495 10.988 -0.928 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -7.287 11.958 0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -7.642 11.232 2.278 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -7.297 10.188 0.879 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -8.896 12.075 -2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -9.186 13.109 -1.059 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -7.683 12.163 -1.179 1.00 0.00 H new ATOM 1305 N LEU A 122 -8.223 8.341 1.763 1.00 0.00 N ATOM 1306 CA LEU A 122 -7.363 7.421 2.590 1.00 0.00 C ATOM 1307 C LEU A 122 -6.160 8.172 3.050 1.00 0.00 C ATOM 1308 O LEU A 122 -5.983 9.255 2.538 1.00 0.00 O ATOM 1309 CB LEU A 122 -6.727 6.255 1.830 1.00 0.00 C ATOM 1310 CG LEU A 122 -7.633 5.229 1.264 1.00 0.00 C ATOM 1311 CD1 LEU A 122 -8.921 5.935 0.865 1.00 0.00 C ATOM 1312 CD2 LEU A 122 -6.974 4.706 0.005 1.00 0.00 C ATOM 0 H LEU A 122 -8.028 8.362 0.762 1.00 0.00 H new ATOM 0 HA LEU A 122 -8.043 7.053 3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -6.136 6.669 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -6.032 5.754 2.504 1.00 0.00 H new ATOM 0 HG LEU A 122 -7.832 4.423 1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -9.617 5.211 0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -9.369 6.399 1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -8.700 6.702 0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -7.608 3.944 -0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -6.832 5.526 -0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -6.006 4.271 0.255 1.00 0.00 H new ATOM 1324 N GLY A 123 -5.472 7.514 3.967 1.00 0.00 N ATOM 1325 CA GLY A 123 -4.182 7.912 4.666 1.00 0.00 C ATOM 1326 C GLY A 123 -3.627 6.468 4.753 1.00 0.00 C ATOM 1327 O GLY A 123 -4.296 5.717 5.419 1.00 0.00 O ATOM 0 H GLY A 123 -5.798 6.605 4.296 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -3.557 8.587 4.082 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -4.337 8.381 5.637 1.00 0.00 H new ATOM 1331 N ALA A 124 -2.535 5.991 4.183 1.00 0.00 N ATOM 1332 CA ALA A 124 -2.274 4.538 4.423 1.00 0.00 C ATOM 1333 C ALA A 124 -0.869 4.176 4.206 1.00 0.00 C ATOM 1334 O ALA A 124 -0.059 4.977 3.804 1.00 0.00 O ATOM 1335 CB ALA A 124 -3.103 3.882 3.491 1.00 0.00 C ATOM 0 H ALA A 124 -1.865 6.501 3.608 1.00 0.00 H new ATOM 0 HA ALA A 124 -2.482 4.262 5.457 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -2.980 2.804 3.591 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.143 4.148 3.679 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.827 4.186 2.481 1.00 0.00 H new ATOM 1341 N LYS A 125 -0.644 2.935 4.482 1.00 0.00 N ATOM 1342 CA LYS A 125 0.713 2.433 4.294 1.00 0.00 C ATOM 1343 C LYS A 125 0.768 0.939 4.042 1.00 0.00 C ATOM 1344 O LYS A 125 0.101 0.174 4.709 1.00 0.00 O ATOM 1345 CB LYS A 125 1.482 2.824 5.537 1.00 0.00 C ATOM 1346 CG LYS A 125 2.626 1.857 5.747 1.00 0.00 C ATOM 1347 CD LYS A 125 2.226 0.655 6.645 1.00 0.00 C ATOM 1348 CE LYS A 125 2.724 0.875 8.082 1.00 0.00 C ATOM 1349 NZ LYS A 125 2.030 2.033 8.711 1.00 0.00 N ATOM 0 H LYS A 125 -1.331 2.263 4.823 1.00 0.00 H new ATOM 0 HA LYS A 125 1.153 2.871 3.398 1.00 0.00 H new ATOM 0 HB2 LYS A 125 1.864 3.840 5.437 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.821 2.816 6.404 1.00 0.00 H new ATOM 0 HG2 LYS A 125 2.968 1.487 4.780 1.00 0.00 H new ATOM 0 HG3 LYS A 125 3.465 2.384 6.202 1.00 0.00 H new ATOM 0 HD2 LYS A 125 1.143 0.535 6.643 1.00 0.00 H new ATOM 0 HD3 LYS A 125 2.650 -0.265 6.243 1.00 0.00 H new ATOM 0 HE2 LYS A 125 2.550 -0.024 8.673 1.00 0.00 H new ATOM 0 HE3 LYS A 125 3.800 1.050 8.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 1.858 1.830 9.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 2.625 2.882 8.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 1.122 2.197 8.230 1.00 0.00 H new ATOM 1363 N GLY A 126 1.544 0.555 3.071 1.00 0.00 N ATOM 1364 CA GLY A 126 1.651 -0.905 2.808 1.00 0.00 C ATOM 1365 C GLY A 126 3.150 -1.065 2.607 1.00 0.00 C ATOM 1366 O GLY A 126 3.798 -0.056 2.415 1.00 0.00 O ATOM 0 H GLY A 126 2.093 1.165 2.465 1.00 0.00 H new ATOM 0 HA2 GLY A 126 1.283 -1.501 3.643 1.00 0.00 H new ATOM 0 HA3 GLY A 126 1.084 -1.206 1.927 1.00 0.00 H new ATOM 1370 N LYS A 127 3.727 -2.237 2.622 1.00 0.00 N ATOM 1371 CA LYS A 127 5.187 -2.187 2.414 1.00 0.00 C ATOM 1372 C LYS A 127 5.581 -2.176 1.006 1.00 0.00 C ATOM 1373 O LYS A 127 4.830 -2.536 0.129 1.00 0.00 O ATOM 1374 CB LYS A 127 5.890 -3.348 3.002 1.00 0.00 C ATOM 1375 CG LYS A 127 6.512 -2.786 4.224 1.00 0.00 C ATOM 1376 CD LYS A 127 7.225 -3.873 5.031 1.00 0.00 C ATOM 1377 CE LYS A 127 8.356 -4.470 4.189 1.00 0.00 C ATOM 1378 NZ LYS A 127 9.162 -5.406 5.020 1.00 0.00 N ATOM 0 H LYS A 127 3.291 -3.149 2.757 1.00 0.00 H new ATOM 0 HA LYS A 127 5.468 -1.254 2.902 1.00 0.00 H new ATOM 0 HB2 LYS A 127 5.201 -4.159 3.238 1.00 0.00 H new ATOM 0 HB3 LYS A 127 6.637 -3.753 2.320 1.00 0.00 H new ATOM 0 HG2 LYS A 127 7.224 -2.008 3.948 1.00 0.00 H new ATOM 0 HG3 LYS A 127 5.747 -2.314 4.841 1.00 0.00 H new ATOM 0 HD2 LYS A 127 7.626 -3.453 5.953 1.00 0.00 H new ATOM 0 HD3 LYS A 127 6.518 -4.652 5.316 1.00 0.00 H new ATOM 0 HE2 LYS A 127 7.943 -4.997 3.329 1.00 0.00 H new ATOM 0 HE3 LYS A 127 8.992 -3.674 3.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 10.087 -4.978 5.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 8.662 -5.597 5.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 9.301 -6.297 4.503 1.00 0.00 H new ATOM 1392 N LEU A 128 6.794 -1.763 0.826 1.00 0.00 N ATOM 1393 CA LEU A 128 7.199 -1.739 -0.582 1.00 0.00 C ATOM 1394 C LEU A 128 7.799 -3.124 -0.687 1.00 0.00 C ATOM 1395 O LEU A 128 8.610 -3.523 0.126 1.00 0.00 O ATOM 1396 CB LEU A 128 8.138 -0.550 -0.704 1.00 0.00 C ATOM 1397 CG LEU A 128 9.309 -0.942 -1.500 1.00 0.00 C ATOM 1398 CD1 LEU A 128 9.112 -1.310 -2.888 1.00 0.00 C ATOM 1399 CD2 LEU A 128 10.242 0.215 -1.593 1.00 0.00 C ATOM 0 H LEU A 128 7.470 -1.465 1.529 1.00 0.00 H new ATOM 0 HA LEU A 128 6.472 -1.592 -1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 128 7.625 0.287 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 128 8.451 -0.215 0.285 1.00 0.00 H new ATOM 0 HG LEU A 128 9.652 -1.827 -0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 128 10.071 -1.572 -3.334 1.00 0.00 H new ATOM 0 HD12 LEU A 128 8.439 -2.165 -2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 128 8.678 -0.469 -3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 128 11.114 -0.067 -2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 128 9.736 1.053 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 128 10.560 0.508 -0.592 1.00 0.00 H new ATOM 1411 N PHE A 129 7.374 -3.830 -1.693 1.00 0.00 N ATOM 1412 CA PHE A 129 7.905 -5.203 -1.849 1.00 0.00 C ATOM 1413 C PHE A 129 7.702 -5.763 -3.243 1.00 0.00 C ATOM 1414 O PHE A 129 6.925 -5.279 -4.056 1.00 0.00 O ATOM 1415 CB PHE A 129 7.211 -6.136 -0.877 1.00 0.00 C ATOM 1416 CG PHE A 129 5.852 -6.461 -1.495 1.00 0.00 C ATOM 1417 CD1 PHE A 129 4.861 -5.508 -1.669 1.00 0.00 C ATOM 1418 CD2 PHE A 129 5.632 -7.754 -1.934 1.00 0.00 C ATOM 1419 CE1 PHE A 129 3.679 -5.882 -2.289 1.00 0.00 C ATOM 1420 CE2 PHE A 129 4.451 -8.105 -2.543 1.00 0.00 C ATOM 1421 CZ PHE A 129 3.475 -7.166 -2.723 1.00 0.00 C ATOM 0 H PHE A 129 6.700 -3.525 -2.395 1.00 0.00 H new ATOM 0 HA PHE A 129 8.976 -5.138 -1.654 1.00 0.00 H new ATOM 0 HB2 PHE A 129 7.796 -7.043 -0.723 1.00 0.00 H new ATOM 0 HB3 PHE A 129 7.092 -5.664 0.098 1.00 0.00 H new ATOM 0 HD1 PHE A 129 5.007 -4.494 -1.328 1.00 0.00 H new ATOM 0 HD2 PHE A 129 6.401 -8.500 -1.796 1.00 0.00 H new ATOM 0 HE1 PHE A 129 2.902 -5.146 -2.433 1.00 0.00 H new ATOM 0 HE2 PHE A 129 4.295 -9.120 -2.878 1.00 0.00 H new ATOM 0 HZ PHE A 129 2.547 -7.434 -3.205 1.00 0.00 H new ATOM 1510 N GLU A 135 10.913 -4.704 -5.547 1.00 0.00 N ATOM 1511 CA GLU A 135 10.731 -3.248 -5.482 1.00 0.00 C ATOM 1512 C GLU A 135 9.267 -2.916 -5.271 1.00 0.00 C ATOM 1513 O GLU A 135 8.534 -3.622 -4.634 1.00 0.00 O ATOM 1514 CB GLU A 135 11.336 -2.800 -6.774 1.00 0.00 C ATOM 1515 CG GLU A 135 11.876 -1.354 -6.682 1.00 0.00 C ATOM 1516 CD GLU A 135 12.559 -1.008 -8.003 1.00 0.00 C ATOM 1517 OE1 GLU A 135 13.425 -1.783 -8.370 1.00 0.00 O ATOM 1518 OE2 GLU A 135 12.179 0.006 -8.563 1.00 0.00 O ATOM 0 HA GLU A 135 11.206 -2.734 -4.646 1.00 0.00 H new ATOM 0 HB2 GLU A 135 12.147 -3.474 -7.049 1.00 0.00 H new ATOM 0 HB3 GLU A 135 10.589 -2.860 -7.566 1.00 0.00 H new ATOM 0 HG2 GLU A 135 11.062 -0.657 -6.483 1.00 0.00 H new ATOM 0 HG3 GLU A 135 12.581 -1.265 -5.856 1.00 0.00 H new ATOM 1525 N LEU A 136 8.941 -1.818 -5.844 1.00 0.00 N ATOM 1526 CA LEU A 136 7.698 -1.076 -5.924 1.00 0.00 C ATOM 1527 C LEU A 136 6.225 -1.417 -5.768 1.00 0.00 C ATOM 1528 O LEU A 136 5.389 -0.625 -6.161 1.00 0.00 O ATOM 1529 CB LEU A 136 7.973 -0.404 -7.206 1.00 0.00 C ATOM 1530 CG LEU A 136 7.363 -1.319 -8.255 1.00 0.00 C ATOM 1531 CD1 LEU A 136 7.694 -0.803 -9.648 1.00 0.00 C ATOM 1532 CD2 LEU A 136 7.746 -2.801 -8.102 1.00 0.00 C ATOM 0 H LEU A 136 9.660 -1.317 -6.366 1.00 0.00 H new ATOM 0 HA LEU A 136 7.592 -0.679 -4.914 1.00 0.00 H new ATOM 0 HB2 LEU A 136 7.525 0.589 -7.237 1.00 0.00 H new ATOM 0 HB3 LEU A 136 9.044 -0.276 -7.365 1.00 0.00 H new ATOM 0 HG LEU A 136 6.285 -1.291 -8.099 1.00 0.00 H new ATOM 0 HD11 LEU A 136 7.254 -1.464 -10.395 1.00 0.00 H new ATOM 0 HD12 LEU A 136 7.290 0.202 -9.769 1.00 0.00 H new ATOM 0 HD13 LEU A 136 8.776 -0.777 -9.779 1.00 0.00 H new ATOM 0 HD21 LEU A 136 7.269 -3.383 -8.890 1.00 0.00 H new ATOM 0 HD22 LEU A 136 8.828 -2.907 -8.177 1.00 0.00 H new ATOM 0 HD23 LEU A 136 7.413 -3.164 -7.130 1.00 0.00 H new ATOM 1544 N SER A 137 5.905 -2.523 -5.207 1.00 0.00 N ATOM 1545 CA SER A 137 4.428 -2.782 -5.077 1.00 0.00 C ATOM 1546 C SER A 137 4.100 -2.547 -3.632 1.00 0.00 C ATOM 1547 O SER A 137 4.976 -2.623 -2.799 1.00 0.00 O ATOM 1548 CB SER A 137 4.062 -4.218 -5.470 1.00 0.00 C ATOM 1549 OG SER A 137 2.777 -4.421 -4.899 1.00 0.00 O ATOM 0 H SER A 137 6.539 -3.235 -4.845 1.00 0.00 H new ATOM 0 HA SER A 137 3.865 -2.129 -5.744 1.00 0.00 H new ATOM 0 HB2 SER A 137 4.040 -4.341 -6.553 1.00 0.00 H new ATOM 0 HB3 SER A 137 4.787 -4.934 -5.083 1.00 0.00 H new ATOM 0 HG SER A 137 2.847 -5.053 -4.153 1.00 0.00 H new ATOM 1555 N ILE A 138 2.861 -2.269 -3.351 1.00 0.00 N ATOM 1556 CA ILE A 138 2.528 -2.029 -1.934 1.00 0.00 C ATOM 1557 C ILE A 138 1.924 -3.241 -1.304 1.00 0.00 C ATOM 1558 O ILE A 138 1.192 -3.994 -1.903 1.00 0.00 O ATOM 1559 CB ILE A 138 1.568 -0.852 -1.842 1.00 0.00 C ATOM 1560 CG1 ILE A 138 2.443 0.354 -2.031 1.00 0.00 C ATOM 1561 CG2 ILE A 138 1.004 -0.774 -0.421 1.00 0.00 C ATOM 1562 CD1 ILE A 138 1.580 1.636 -2.074 1.00 0.00 C ATOM 0 H ILE A 138 2.092 -2.200 -4.018 1.00 0.00 H new ATOM 0 HA ILE A 138 3.446 -1.801 -1.392 1.00 0.00 H new ATOM 0 HB ILE A 138 0.751 -0.930 -2.559 1.00 0.00 H new ATOM 0 HG12 ILE A 138 3.165 0.420 -1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 138 3.012 0.258 -2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 138 0.315 0.068 -0.349 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.474 -1.698 -0.189 1.00 0.00 H new ATOM 0 HG23 ILE A 138 1.821 -0.636 0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 138 2.225 2.504 -2.211 1.00 0.00 H new ATOM 0 HD12 ILE A 138 0.875 1.573 -2.903 1.00 0.00 H new ATOM 0 HD13 ILE A 138 1.031 1.736 -1.138 1.00 0.00 H new ATOM 1574 N HIS A 139 2.289 -3.359 -0.073 1.00 0.00 N ATOM 1575 CA HIS A 139 1.817 -4.497 0.755 1.00 0.00 C ATOM 1576 C HIS A 139 0.974 -3.931 1.876 1.00 0.00 C ATOM 1577 O HIS A 139 1.392 -3.758 3.001 1.00 0.00 O ATOM 1578 CB HIS A 139 3.093 -5.235 1.178 1.00 0.00 C ATOM 1579 CG HIS A 139 2.769 -6.540 1.899 1.00 0.00 C ATOM 1580 ND1 HIS A 139 3.645 -7.353 2.389 1.00 0.00 N ATOM 1581 CD2 HIS A 139 1.554 -7.144 2.169 1.00 0.00 C ATOM 1582 CE1 HIS A 139 3.044 -8.373 2.913 1.00 0.00 C ATOM 1583 NE2 HIS A 139 1.741 -8.285 2.801 1.00 0.00 N ATOM 0 H HIS A 139 2.906 -2.706 0.410 1.00 0.00 H new ATOM 0 HA HIS A 139 1.170 -5.217 0.254 1.00 0.00 H new ATOM 0 HB2 HIS A 139 3.702 -5.445 0.299 1.00 0.00 H new ATOM 0 HB3 HIS A 139 3.686 -4.595 1.831 1.00 0.00 H new ATOM 0 HD1 HIS A 139 4.655 -7.213 2.367 1.00 0.00 H new ATOM 0 HD2 HIS A 139 0.590 -6.738 1.900 1.00 0.00 H new ATOM 0 HE1 HIS A 139 3.555 -9.198 3.386 1.00 0.00 H new ATOM 1591 N CYS A 140 -0.237 -3.679 1.451 1.00 0.00 N ATOM 1592 CA CYS A 140 -1.295 -3.097 2.327 1.00 0.00 C ATOM 1593 C CYS A 140 -1.491 -3.802 3.666 1.00 0.00 C ATOM 1594 O CYS A 140 -1.951 -4.936 3.745 1.00 0.00 O ATOM 1595 CB CYS A 140 -2.603 -3.077 1.527 1.00 0.00 C ATOM 1596 SG CYS A 140 -4.109 -2.553 2.386 1.00 0.00 S ATOM 0 H CYS A 140 -0.546 -3.860 0.496 1.00 0.00 H new ATOM 0 HA CYS A 140 -0.970 -2.094 2.604 1.00 0.00 H new ATOM 0 HB2 CYS A 140 -2.461 -2.420 0.669 1.00 0.00 H new ATOM 0 HB3 CYS A 140 -2.772 -4.080 1.136 1.00 0.00 H new ATOM 0 HG CYS A 140 -4.827 -1.814 1.592 1.00 0.00 H new ATOM 1602 N THR A 141 -1.096 -3.018 4.650 1.00 0.00 N ATOM 1603 CA THR A 141 -1.150 -3.402 6.091 1.00 0.00 C ATOM 1604 C THR A 141 -1.762 -2.419 7.119 1.00 0.00 C ATOM 1605 O THR A 141 -2.514 -2.872 7.959 1.00 0.00 O ATOM 1606 CB THR A 141 0.243 -3.714 6.560 1.00 0.00 C ATOM 1607 OG1 THR A 141 1.054 -2.670 6.040 1.00 0.00 O ATOM 1608 CG2 THR A 141 0.699 -5.011 5.928 1.00 0.00 C ATOM 0 H THR A 141 -0.721 -2.082 4.495 1.00 0.00 H new ATOM 0 HA THR A 141 -1.846 -4.241 6.078 1.00 0.00 H new ATOM 0 HB THR A 141 0.297 -3.799 7.645 1.00 0.00 H new ATOM 0 HG1 THR A 141 1.985 -2.812 6.312 1.00 0.00 H new ATOM 0 HG21 THR A 141 1.709 -5.244 6.264 1.00 0.00 H new ATOM 0 HG22 THR A 141 0.025 -5.816 6.221 1.00 0.00 H new ATOM 0 HG23 THR A 141 0.692 -4.909 4.843 1.00 0.00 H new ATOM 1616 N GLU A 142 -1.471 -1.133 7.077 1.00 0.00 N ATOM 1617 CA GLU A 142 -2.081 -0.245 8.108 1.00 0.00 C ATOM 1618 C GLU A 142 -2.716 0.904 7.379 1.00 0.00 C ATOM 1619 O GLU A 142 -2.057 1.588 6.620 1.00 0.00 O ATOM 1620 CB GLU A 142 -0.979 0.258 9.059 1.00 0.00 C ATOM 1621 CG GLU A 142 -1.570 1.031 10.268 1.00 0.00 C ATOM 1622 CD GLU A 142 -2.290 2.310 9.827 1.00 0.00 C ATOM 1623 OE1 GLU A 142 -1.636 3.115 9.182 1.00 0.00 O ATOM 1624 OE2 GLU A 142 -3.457 2.398 10.166 1.00 0.00 O ATOM 0 H GLU A 142 -0.860 -0.680 6.397 1.00 0.00 H new ATOM 0 HA GLU A 142 -2.827 -0.772 8.703 1.00 0.00 H new ATOM 0 HB2 GLU A 142 -0.395 -0.589 9.419 1.00 0.00 H new ATOM 0 HB3 GLU A 142 -0.295 0.907 8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 142 -2.267 0.388 10.805 1.00 0.00 H new ATOM 0 HG3 GLU A 142 -0.770 1.285 10.963 1.00 0.00 H new ATOM 1631 N LEU A 143 -3.979 1.083 7.629 1.00 0.00 N ATOM 1632 CA LEU A 143 -4.663 2.195 6.948 1.00 0.00 C ATOM 1633 C LEU A 143 -5.404 3.125 7.891 1.00 0.00 C ATOM 1634 O LEU A 143 -6.010 2.753 8.877 1.00 0.00 O ATOM 1635 CB LEU A 143 -5.641 1.620 5.922 1.00 0.00 C ATOM 1636 CG LEU A 143 -4.851 0.816 4.873 1.00 0.00 C ATOM 1637 CD1 LEU A 143 -4.720 -0.660 5.275 1.00 0.00 C ATOM 1638 CD2 LEU A 143 -5.566 0.894 3.531 1.00 0.00 C ATOM 0 H LEU A 143 -4.550 0.520 8.260 1.00 0.00 H new ATOM 0 HA LEU A 143 -3.892 2.798 6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -6.371 0.979 6.416 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -6.197 2.424 5.440 1.00 0.00 H new ATOM 0 HG LEU A 143 -3.852 1.248 4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -4.157 -1.196 4.511 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -4.198 -0.732 6.229 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -5.712 -1.101 5.370 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -5.008 0.325 2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -6.569 0.478 3.628 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -5.634 1.935 3.215 1.00 0.00 H new ATOM 1650 N ARG A 144 -5.281 4.348 7.480 1.00 0.00 N ATOM 1651 CA ARG A 144 -5.883 5.527 8.153 1.00 0.00 C ATOM 1652 C ARG A 144 -6.746 6.023 7.007 1.00 0.00 C ATOM 1653 O ARG A 144 -6.578 7.078 6.427 1.00 0.00 O ATOM 1654 CB ARG A 144 -4.798 6.550 8.513 1.00 0.00 C ATOM 1655 CG ARG A 144 -3.727 5.894 9.399 1.00 0.00 C ATOM 1656 CD ARG A 144 -4.353 5.331 10.680 1.00 0.00 C ATOM 1657 NE ARG A 144 -5.116 6.417 11.351 1.00 0.00 N ATOM 1658 CZ ARG A 144 -6.399 6.266 11.528 1.00 0.00 C ATOM 1659 NH1 ARG A 144 -6.822 5.303 12.299 1.00 0.00 N ATOM 1660 NH2 ARG A 144 -7.218 7.083 10.924 1.00 0.00 N ATOM 0 H ARG A 144 -4.749 4.594 6.645 1.00 0.00 H new ATOM 0 HA ARG A 144 -6.406 5.335 9.090 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -4.340 6.941 7.604 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -5.244 7.397 9.035 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -3.232 5.094 8.848 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -2.961 6.626 9.654 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -5.012 4.496 10.444 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -3.578 4.948 11.343 1.00 0.00 H new ATOM 0 HE ARG A 144 -4.644 7.264 11.667 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -6.152 4.682 12.753 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -7.822 5.171 12.448 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -6.851 7.823 10.326 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -8.225 6.981 11.050 1.00 0.00 H new ATOM 1674 N LEU A 145 -7.660 5.155 6.704 1.00 0.00 N ATOM 1675 CA LEU A 145 -8.616 5.328 5.672 1.00 0.00 C ATOM 1676 C LEU A 145 -10.047 5.830 5.918 1.00 0.00 C ATOM 1677 O LEU A 145 -10.867 5.025 6.303 1.00 0.00 O ATOM 1678 CB LEU A 145 -8.441 3.948 5.103 1.00 0.00 C ATOM 1679 CG LEU A 145 -9.407 3.491 4.215 1.00 0.00 C ATOM 1680 CD1 LEU A 145 -9.641 4.594 3.346 1.00 0.00 C ATOM 1681 CD2 LEU A 145 -8.763 2.331 3.545 1.00 0.00 C ATOM 0 H LEU A 145 -7.759 4.267 7.197 1.00 0.00 H new ATOM 0 HA LEU A 145 -8.444 6.204 5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -7.476 3.913 4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -8.390 3.246 5.935 1.00 0.00 H new ATOM 0 HG LEU A 145 -10.361 3.171 4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -10.395 4.322 2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -9.993 5.446 3.927 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -8.714 4.860 2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -9.454 1.900 2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -7.860 2.662 3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -8.503 1.579 4.290 1.00 0.00 H new ATOM 1693 N LEU A 146 -10.318 7.103 5.720 1.00 0.00 N ATOM 1694 CA LEU A 146 -11.535 7.745 5.851 1.00 0.00 C ATOM 1695 C LEU A 146 -11.497 8.989 5.012 1.00 0.00 C ATOM 1696 O LEU A 146 -11.804 8.953 3.840 1.00 0.00 O ATOM 1697 CB LEU A 146 -11.944 8.203 7.339 1.00 0.00 C ATOM 1698 CG LEU A 146 -13.408 8.079 7.229 1.00 0.00 C ATOM 1699 CD1 LEU A 146 -13.911 8.636 5.810 1.00 0.00 C ATOM 1700 CD2 LEU A 146 -13.389 6.617 7.429 1.00 0.00 C ATOM 0 H LEU A 146 -9.585 7.752 5.433 1.00 0.00 H new ATOM 0 HA LEU A 146 -12.276 7.007 5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -11.524 7.555 8.108 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -11.624 9.219 7.569 1.00 0.00 H new ATOM 0 HG LEU A 146 -14.084 8.625 7.887 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -14.995 8.538 5.744 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -13.635 9.686 5.713 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -13.445 8.063 5.008 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -14.408 6.232 7.393 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -12.796 6.150 6.642 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -12.949 6.388 8.399 1.00 0.00 H new ATOM 1712 N THR A 147 -11.102 9.983 5.747 1.00 0.00 N ATOM 1713 CA THR A 147 -10.974 11.402 5.317 1.00 0.00 C ATOM 1714 C THR A 147 -9.988 11.958 4.364 1.00 0.00 C ATOM 1715 O THR A 147 -8.948 11.409 4.113 1.00 0.00 O ATOM 1716 CB THR A 147 -10.866 12.240 6.549 1.00 0.00 C ATOM 1717 OG1 THR A 147 -10.193 11.455 7.522 1.00 0.00 O ATOM 1718 CG2 THR A 147 -12.263 12.546 7.054 1.00 0.00 C ATOM 0 H THR A 147 -10.838 9.852 6.723 1.00 0.00 H new ATOM 0 HA THR A 147 -11.859 11.425 4.681 1.00 0.00 H new ATOM 0 HB THR A 147 -10.336 13.171 6.351 1.00 0.00 H new ATOM 0 HG1 THR A 147 -10.099 11.970 8.350 1.00 0.00 H new ATOM 0 HG21 THR A 147 -12.199 13.158 7.954 1.00 0.00 H new ATOM 0 HG22 THR A 147 -12.817 13.087 6.287 1.00 0.00 H new ATOM 0 HG23 THR A 147 -12.779 11.614 7.285 1.00 0.00 H new ATOM 1726 N LYS A 148 -10.443 13.064 3.843 1.00 0.00 N ATOM 1727 CA LYS A 148 -9.668 13.845 2.866 1.00 0.00 C ATOM 1728 C LYS A 148 -9.107 14.954 3.664 1.00 0.00 C ATOM 1729 O LYS A 148 -7.967 15.374 3.668 1.00 0.00 O ATOM 1730 CB LYS A 148 -10.574 14.354 1.718 1.00 0.00 C ATOM 1731 CG LYS A 148 -10.600 15.879 1.627 1.00 0.00 C ATOM 1732 CD LYS A 148 -11.214 16.299 0.292 1.00 0.00 C ATOM 1733 CE LYS A 148 -11.192 17.824 0.215 1.00 0.00 C ATOM 1734 NZ LYS A 148 -11.748 18.264 -1.094 1.00 0.00 N ATOM 0 H LYS A 148 -11.354 13.464 4.069 1.00 0.00 H new ATOM 0 HA LYS A 148 -8.890 13.262 2.374 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -10.222 13.943 0.772 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -11.588 13.985 1.869 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -11.179 16.293 2.452 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -9.589 16.277 1.716 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -10.652 15.868 -0.537 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -12.236 15.929 0.211 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -11.777 18.248 1.031 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -10.172 18.190 0.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -11.733 19.303 -1.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -11.173 17.870 -1.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -12.728 17.927 -1.186 1.00 0.00 H new ATOM 1748 N ALA A 149 -10.138 15.325 4.317 1.00 0.00 N ATOM 1749 CA ALA A 149 -10.170 16.429 5.299 1.00 0.00 C ATOM 1750 C ALA A 149 -10.136 15.904 6.738 1.00 0.00 C ATOM 1751 O ALA A 149 -9.083 16.049 7.335 1.00 0.00 O ATOM 1752 CB ALA A 149 -11.425 17.169 4.997 1.00 0.00 C ATOM 1753 OXT ALA A 149 -11.159 15.388 7.154 1.00 0.00 O ATOM 0 H ALA A 149 -11.044 14.871 4.204 1.00 0.00 H new ATOM 0 HA ALA A 149 -9.296 17.076 5.221 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -11.526 18.009 5.684 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -11.391 17.540 3.973 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -12.278 16.501 5.113 1.00 0.00 H new