USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 444 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 NoAdj-H: A 152 HIS HD1 : A 152 HIS ND1 : A 182 ZNZN :(H bumps) USER MOD Set 1.1: A 168 CYS SG : rot 152:sc= 0.738 USER MOD Set 1.2: A 171 CYS SG : rot 82:sc= 1.36 USER MOD Set 2.1: A 156 THR OG1 : rot 180:sc= 0.0357 USER MOD Set 2.2: A 157 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 143 HIS : no HE2:sc= -2.1 K(o=-1,f=-14!) USER MOD Set 3.2: A 153 SER OG : rot 135:sc= 1.07 USER MOD Set 4.1: A 142 TYR OH : rot 15:sc=0.000802 USER MOD Set 4.2: A 172 SER OG : rot 180:sc= 0 USER MOD Single : A 126 CYS SG : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= -1.27 K(o=-1.3,f=-2.3) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 SER OG : rot 112:sc= 0.0958 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0091) USER MOD Single : A 146 HIS : no HD1:sc= -0.8 X(o=-0.8,f=-0.77) USER MOD Single : A 147 LYS NZ :NH3+ 171:sc= -0.029 (180deg=-0.159) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 MET CE :methyl 179:sc= -0.0836 (180deg=-0.0875) USER MOD Single : A 165 GLN : amide:sc= -2.69! C(o=-2.7!,f=-3.5!) USER MOD Single : A 169 GLN : amide:sc= -0.425 X(o=-0.43,f=0) USER MOD Single : A 170 GLN : amide:sc= -0.218 K(o=-0.22,f=-1.4!) USER MOD Single : A 175 HIS : no HE2:sc= 0.223 K(o=0.22,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 124 3.125 14.228 -6.537 1.00 0.00 N ATOM 2 CA ALA A 124 2.078 13.895 -5.536 1.00 0.00 C ATOM 3 C ALA A 124 1.196 12.752 -6.026 1.00 0.00 C ATOM 4 O ALA A 124 0.529 12.866 -7.054 1.00 0.00 O ATOM 5 CB ALA A 124 1.231 15.121 -5.233 1.00 0.00 C ATOM 0 HA ALA A 124 2.574 13.572 -4.621 1.00 0.00 H new ATOM 0 HB1 ALA A 124 0.468 14.864 -4.498 1.00 0.00 H new ATOM 0 HB2 ALA A 124 1.866 15.912 -4.835 1.00 0.00 H new ATOM 0 HB3 ALA A 124 0.751 15.467 -6.149 1.00 0.00 H new ATOM 11 N ILE A 125 1.200 11.649 -5.284 1.00 0.00 N ATOM 12 CA ILE A 125 0.400 10.484 -5.642 1.00 0.00 C ATOM 13 C ILE A 125 -0.469 10.033 -4.474 1.00 0.00 C ATOM 14 O ILE A 125 -0.025 10.022 -3.325 1.00 0.00 O ATOM 15 CB ILE A 125 1.290 9.309 -6.090 1.00 0.00 C ATOM 16 CG1 ILE A 125 2.310 9.779 -7.128 1.00 0.00 C ATOM 17 CG2 ILE A 125 0.437 8.179 -6.649 1.00 0.00 C ATOM 18 CD1 ILE A 125 3.232 8.682 -7.610 1.00 0.00 C ATOM 0 H ILE A 125 1.748 11.538 -4.431 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.240 10.783 -6.472 1.00 0.00 H new ATOM 0 HB ILE A 125 1.831 8.932 -5.222 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.779 10.198 -7.983 1.00 0.00 H new ATOM 0 HG13 ILE A 125 2.908 10.583 -6.699 1.00 0.00 H new ATOM 0 HG21 ILE A 125 1.081 7.357 -6.961 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.252 7.829 -5.880 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.130 8.541 -7.507 1.00 0.00 H new ATOM 0 HD11 ILE A 125 3.928 9.088 -8.344 1.00 0.00 H new ATOM 0 HD12 ILE A 125 3.790 8.278 -6.765 1.00 0.00 H new ATOM 0 HD13 ILE A 125 2.643 7.888 -8.069 1.00 0.00 H new ATOM 30 N CYS A 126 -1.710 9.664 -4.773 1.00 0.00 N ATOM 31 CA CYS A 126 -2.642 9.213 -3.747 1.00 0.00 C ATOM 32 C CYS A 126 -2.604 7.694 -3.603 1.00 0.00 C ATOM 33 O CYS A 126 -2.239 6.983 -4.539 1.00 0.00 O ATOM 34 CB CYS A 126 -4.063 9.669 -4.082 1.00 0.00 C ATOM 35 SG CYS A 126 -4.262 11.464 -4.168 1.00 0.00 S ATOM 0 H CYS A 126 -2.093 9.669 -5.718 1.00 0.00 H new ATOM 0 HA CYS A 126 -2.339 9.657 -2.799 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -4.356 9.236 -5.038 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -4.746 9.274 -3.330 1.00 0.00 H new ATOM 0 HG CYS A 126 -5.496 11.750 -4.459 1.00 0.00 H new ATOM 41 N CYS A 127 -2.984 7.207 -2.427 1.00 0.00 N ATOM 42 CA CYS A 127 -2.992 5.771 -2.162 1.00 0.00 C ATOM 43 C CYS A 127 -3.937 5.049 -3.116 1.00 0.00 C ATOM 44 O CYS A 127 -5.096 5.434 -3.271 1.00 0.00 O ATOM 45 CB CYS A 127 -3.407 5.503 -0.714 1.00 0.00 C ATOM 46 SG CYS A 127 -2.989 3.846 -0.123 1.00 0.00 S ATOM 0 H CYS A 127 -3.290 7.783 -1.643 1.00 0.00 H new ATOM 0 HA CYS A 127 -1.983 5.390 -2.321 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -2.929 6.239 -0.068 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -4.483 5.649 -0.622 1.00 0.00 H new ATOM 51 N GLN A 128 -3.433 3.997 -3.754 1.00 0.00 N ATOM 52 CA GLN A 128 -4.232 3.218 -4.695 1.00 0.00 C ATOM 53 C GLN A 128 -5.345 2.464 -3.974 1.00 0.00 C ATOM 54 O GLN A 128 -6.399 2.195 -4.550 1.00 0.00 O ATOM 55 CB GLN A 128 -3.342 2.231 -5.455 1.00 0.00 C ATOM 56 CG GLN A 128 -2.652 1.218 -4.557 1.00 0.00 C ATOM 57 CD GLN A 128 -1.495 0.522 -5.248 1.00 0.00 C ATOM 58 OE1 GLN A 128 -1.691 -0.256 -6.182 1.00 0.00 O ATOM 59 NE2 GLN A 128 -0.280 0.798 -4.790 1.00 0.00 N ATOM 0 H GLN A 128 -2.476 3.664 -3.637 1.00 0.00 H new ATOM 0 HA GLN A 128 -4.688 3.909 -5.404 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -3.948 1.700 -6.189 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -2.586 2.788 -6.008 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -2.287 1.721 -3.661 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -3.378 0.473 -4.231 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -0.163 1.449 -4.014 1.00 0.00 H new ATOM 0 HE22 GLN A 128 0.537 0.359 -5.215 1.00 0.00 H new ATOM 68 N VAL A 129 -5.104 2.126 -2.710 1.00 0.00 N ATOM 69 CA VAL A 129 -6.086 1.401 -1.913 1.00 0.00 C ATOM 70 C VAL A 129 -7.399 2.174 -1.819 1.00 0.00 C ATOM 71 O VAL A 129 -7.405 3.399 -1.707 1.00 0.00 O ATOM 72 CB VAL A 129 -5.565 1.128 -0.490 1.00 0.00 C ATOM 73 CG1 VAL A 129 -6.516 0.212 0.263 1.00 0.00 C ATOM 74 CG2 VAL A 129 -4.166 0.531 -0.540 1.00 0.00 C ATOM 0 H VAL A 129 -4.238 2.343 -2.217 1.00 0.00 H new ATOM 0 HA VAL A 129 -6.261 0.451 -2.418 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.513 2.076 0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -6.130 0.032 1.266 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -7.497 0.683 0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.605 -0.736 -0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -3.814 0.345 0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -4.190 -0.407 -1.094 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -3.491 1.228 -1.036 1.00 0.00 H new ATOM 84 N ASP A 130 -8.510 1.445 -1.861 1.00 0.00 N ATOM 85 CA ASP A 130 -9.830 2.057 -1.779 1.00 0.00 C ATOM 86 C ASP A 130 -10.143 2.486 -0.348 1.00 0.00 C ATOM 87 O ASP A 130 -9.619 1.915 0.609 1.00 0.00 O ATOM 88 CB ASP A 130 -10.899 1.083 -2.276 1.00 0.00 C ATOM 89 CG ASP A 130 -12.076 1.792 -2.918 1.00 0.00 C ATOM 90 OD1 ASP A 130 -11.874 2.455 -3.956 1.00 0.00 O ATOM 91 OD2 ASP A 130 -13.199 1.683 -2.381 1.00 0.00 O ATOM 0 H ASP A 130 -8.521 0.429 -1.951 1.00 0.00 H new ATOM 0 HA ASP A 130 -9.832 2.943 -2.414 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -10.454 0.397 -2.997 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -11.254 0.480 -1.440 1.00 0.00 H new ATOM 96 N ASN A 131 -10.998 3.493 -0.211 1.00 0.00 N ATOM 97 CA ASN A 131 -11.383 3.997 1.103 1.00 0.00 C ATOM 98 C ASN A 131 -10.178 4.571 1.846 1.00 0.00 C ATOM 99 O ASN A 131 -10.147 4.583 3.076 1.00 0.00 O ATOM 100 CB ASN A 131 -12.026 2.886 1.933 1.00 0.00 C ATOM 101 CG ASN A 131 -13.253 2.300 1.263 1.00 0.00 C ATOM 102 OD1 ASN A 131 -14.343 2.870 1.331 1.00 0.00 O ATOM 103 ND2 ASN A 131 -13.083 1.157 0.611 1.00 0.00 N ATOM 0 H ASN A 131 -11.438 3.977 -0.994 1.00 0.00 H new ATOM 0 HA ASN A 131 -12.109 4.797 0.955 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -11.296 2.095 2.104 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -12.303 3.281 2.911 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -13.873 0.716 0.140 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -12.162 0.719 0.580 1.00 0.00 H new ATOM 110 N CYS A 132 -9.191 5.047 1.093 1.00 0.00 N ATOM 111 CA CYS A 132 -7.990 5.622 1.685 1.00 0.00 C ATOM 112 C CYS A 132 -7.537 6.855 0.909 1.00 0.00 C ATOM 113 O CYS A 132 -6.661 6.770 0.047 1.00 0.00 O ATOM 114 CB CYS A 132 -6.863 4.588 1.722 1.00 0.00 C ATOM 115 SG CYS A 132 -5.480 5.043 2.795 1.00 0.00 S ATOM 0 H CYS A 132 -9.200 5.046 0.073 1.00 0.00 H new ATOM 0 HA CYS A 132 -8.230 5.922 2.705 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -7.270 3.634 2.057 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -6.489 4.437 0.709 1.00 0.00 H new ATOM 120 N GLY A 133 -8.139 7.998 1.220 1.00 0.00 N ATOM 121 CA GLY A 133 -7.783 9.230 0.542 1.00 0.00 C ATOM 122 C GLY A 133 -6.560 9.892 1.148 1.00 0.00 C ATOM 123 O GLY A 133 -6.618 11.045 1.578 1.00 0.00 O ATOM 0 H GLY A 133 -8.866 8.093 1.929 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -7.595 9.021 -0.511 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -8.625 9.921 0.584 1.00 0.00 H new ATOM 127 N ALA A 134 -5.451 9.161 1.184 1.00 0.00 N ATOM 128 CA ALA A 134 -4.209 9.681 1.741 1.00 0.00 C ATOM 129 C ALA A 134 -3.299 10.222 0.646 1.00 0.00 C ATOM 130 O ALA A 134 -3.248 9.678 -0.459 1.00 0.00 O ATOM 131 CB ALA A 134 -3.495 8.600 2.538 1.00 0.00 C ATOM 0 H ALA A 134 -5.388 8.205 0.833 1.00 0.00 H new ATOM 0 HA ALA A 134 -4.457 10.506 2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -2.569 9.002 2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -4.137 8.264 3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -3.267 7.757 1.885 1.00 0.00 H new ATOM 137 N ASP A 135 -2.581 11.296 0.956 1.00 0.00 N ATOM 138 CA ASP A 135 -1.670 11.910 -0.004 1.00 0.00 C ATOM 139 C ASP A 135 -0.230 11.484 0.263 1.00 0.00 C ATOM 140 O ASP A 135 0.264 11.600 1.386 1.00 0.00 O ATOM 141 CB ASP A 135 -1.782 13.434 0.059 1.00 0.00 C ATOM 142 CG ASP A 135 -1.655 14.080 -1.307 1.00 0.00 C ATOM 143 OD1 ASP A 135 -2.580 13.916 -2.129 1.00 0.00 O ATOM 144 OD2 ASP A 135 -0.631 14.752 -1.553 1.00 0.00 O ATOM 0 H ASP A 135 -2.612 11.759 1.864 1.00 0.00 H new ATOM 0 HA ASP A 135 -1.951 11.572 -1.001 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -2.741 13.707 0.499 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -1.006 13.826 0.717 1.00 0.00 H new ATOM 149 N LEU A 136 0.438 10.989 -0.773 1.00 0.00 N ATOM 150 CA LEU A 136 1.821 10.545 -0.649 1.00 0.00 C ATOM 151 C LEU A 136 2.788 11.680 -0.974 1.00 0.00 C ATOM 152 O LEU A 136 3.709 11.516 -1.776 1.00 0.00 O ATOM 153 CB LEU A 136 2.081 9.353 -1.574 1.00 0.00 C ATOM 154 CG LEU A 136 1.072 8.209 -1.454 1.00 0.00 C ATOM 155 CD1 LEU A 136 1.318 7.166 -2.533 1.00 0.00 C ATOM 156 CD2 LEU A 136 1.148 7.577 -0.072 1.00 0.00 C ATOM 0 H LEU A 136 0.044 10.885 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 136 1.987 10.236 0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 136 2.086 9.707 -2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 136 3.077 8.962 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 136 0.070 8.616 -1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.591 6.360 -2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.215 7.627 -3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 136 2.325 6.762 -2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 136 0.424 6.765 -0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.151 7.184 0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 136 0.923 8.329 0.685 1.00 0.00 H new ATOM 168 N SER A 137 2.574 12.831 -0.345 1.00 0.00 N ATOM 169 CA SER A 137 3.427 13.994 -0.566 1.00 0.00 C ATOM 170 C SER A 137 4.335 14.237 0.635 1.00 0.00 C ATOM 171 O SER A 137 5.474 14.681 0.485 1.00 0.00 O ATOM 172 CB SER A 137 2.574 15.234 -0.835 1.00 0.00 C ATOM 173 OG SER A 137 2.325 15.390 -2.221 1.00 0.00 O ATOM 0 H SER A 137 1.817 12.984 0.322 1.00 0.00 H new ATOM 0 HA SER A 137 4.052 13.796 -1.437 1.00 0.00 H new ATOM 0 HB2 SER A 137 1.628 15.152 -0.299 1.00 0.00 H new ATOM 0 HB3 SER A 137 3.082 16.119 -0.452 1.00 0.00 H new ATOM 0 HG SER A 137 1.373 15.240 -2.401 1.00 0.00 H new ATOM 179 N LYS A 138 3.824 13.944 1.826 1.00 0.00 N ATOM 180 CA LYS A 138 4.588 14.131 3.054 1.00 0.00 C ATOM 181 C LYS A 138 5.606 13.010 3.238 1.00 0.00 C ATOM 182 O LYS A 138 6.654 13.206 3.855 1.00 0.00 O ATOM 183 CB LYS A 138 3.650 14.186 4.261 1.00 0.00 C ATOM 184 CG LYS A 138 4.202 14.993 5.424 1.00 0.00 C ATOM 185 CD LYS A 138 3.611 14.539 6.749 1.00 0.00 C ATOM 186 CE LYS A 138 4.659 14.522 7.851 1.00 0.00 C ATOM 187 NZ LYS A 138 4.116 15.034 9.140 1.00 0.00 N ATOM 0 H LYS A 138 2.883 13.576 1.967 1.00 0.00 H new ATOM 0 HA LYS A 138 5.125 15.076 2.977 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.697 14.616 3.951 1.00 0.00 H new ATOM 0 HB3 LYS A 138 3.446 13.170 4.599 1.00 0.00 H new ATOM 0 HG2 LYS A 138 5.287 14.893 5.455 1.00 0.00 H new ATOM 0 HG3 LYS A 138 3.984 16.050 5.271 1.00 0.00 H new ATOM 0 HD2 LYS A 138 2.795 15.204 7.032 1.00 0.00 H new ATOM 0 HD3 LYS A 138 3.185 13.542 6.636 1.00 0.00 H new ATOM 0 HE2 LYS A 138 5.024 13.504 7.989 1.00 0.00 H new ATOM 0 HE3 LYS A 138 5.513 15.129 7.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 4.860 15.006 9.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 3.791 16.014 9.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 3.317 14.440 9.441 1.00 0.00 H new ATOM 201 N VAL A 139 5.293 11.835 2.701 1.00 0.00 N ATOM 202 CA VAL A 139 6.181 10.684 2.807 1.00 0.00 C ATOM 203 C VAL A 139 7.558 10.994 2.227 1.00 0.00 C ATOM 204 O VAL A 139 7.769 12.053 1.637 1.00 0.00 O ATOM 205 CB VAL A 139 5.597 9.456 2.082 1.00 0.00 C ATOM 206 CG1 VAL A 139 4.316 8.994 2.758 1.00 0.00 C ATOM 207 CG2 VAL A 139 5.351 9.771 0.614 1.00 0.00 C ATOM 0 H VAL A 139 4.430 11.655 2.188 1.00 0.00 H new ATOM 0 HA VAL A 139 6.280 10.459 3.869 1.00 0.00 H new ATOM 0 HB VAL A 139 6.322 8.644 2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 139 3.919 8.126 2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 139 4.527 8.725 3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 139 3.582 9.799 2.735 1.00 0.00 H new ATOM 0 HG21 VAL A 139 4.939 8.893 0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 139 4.646 10.598 0.533 1.00 0.00 H new ATOM 0 HG23 VAL A 139 6.292 10.048 0.139 1.00 0.00 H new ATOM 217 N LYS A 140 8.489 10.063 2.399 1.00 0.00 N ATOM 218 CA LYS A 140 9.845 10.235 1.892 1.00 0.00 C ATOM 219 C LYS A 140 9.874 10.132 0.372 1.00 0.00 C ATOM 220 O LYS A 140 10.020 11.135 -0.327 1.00 0.00 O ATOM 221 CB LYS A 140 10.779 9.189 2.505 1.00 0.00 C ATOM 222 CG LYS A 140 11.277 9.557 3.892 1.00 0.00 C ATOM 223 CD LYS A 140 10.137 9.609 4.897 1.00 0.00 C ATOM 224 CE LYS A 140 9.614 11.025 5.071 1.00 0.00 C ATOM 225 NZ LYS A 140 10.524 11.857 5.906 1.00 0.00 N ATOM 0 H LYS A 140 8.330 9.181 2.886 1.00 0.00 H new ATOM 0 HA LYS A 140 10.189 11.229 2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 140 10.257 8.234 2.557 1.00 0.00 H new ATOM 0 HB3 LYS A 140 11.636 9.048 1.846 1.00 0.00 H new ATOM 0 HG2 LYS A 140 12.019 8.828 4.219 1.00 0.00 H new ATOM 0 HG3 LYS A 140 11.776 10.525 3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 140 9.327 8.959 4.565 1.00 0.00 H new ATOM 0 HD3 LYS A 140 10.480 9.226 5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 140 9.494 11.490 4.092 1.00 0.00 H new ATOM 0 HE3 LYS A 140 8.627 10.993 5.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 10.083 12.782 6.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 10.700 11.377 6.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 11.425 11.994 5.406 1.00 0.00 H new ATOM 239 N ASP A 141 9.735 8.913 -0.130 1.00 0.00 N ATOM 240 CA ASP A 141 9.744 8.669 -1.567 1.00 0.00 C ATOM 241 C ASP A 141 9.317 7.239 -1.880 1.00 0.00 C ATOM 242 O ASP A 141 8.555 6.998 -2.816 1.00 0.00 O ATOM 243 CB ASP A 141 11.137 8.937 -2.141 1.00 0.00 C ATOM 244 CG ASP A 141 11.086 9.721 -3.438 1.00 0.00 C ATOM 245 OD1 ASP A 141 10.832 10.942 -3.384 1.00 0.00 O ATOM 246 OD2 ASP A 141 11.300 9.111 -4.508 1.00 0.00 O ATOM 0 H ASP A 141 9.614 8.075 0.438 1.00 0.00 H new ATOM 0 HA ASP A 141 9.030 9.350 -2.031 1.00 0.00 H new ATOM 0 HB2 ASP A 141 11.729 9.488 -1.410 1.00 0.00 H new ATOM 0 HB3 ASP A 141 11.645 7.988 -2.313 1.00 0.00 H new ATOM 251 N TYR A 142 9.811 6.291 -1.088 1.00 0.00 N ATOM 252 CA TYR A 142 9.480 4.884 -1.281 1.00 0.00 C ATOM 253 C TYR A 142 7.976 4.657 -1.174 1.00 0.00 C ATOM 254 O TYR A 142 7.427 3.763 -1.819 1.00 0.00 O ATOM 255 CB TYR A 142 10.211 4.022 -0.249 1.00 0.00 C ATOM 256 CG TYR A 142 9.951 2.541 -0.400 1.00 0.00 C ATOM 257 CD1 TYR A 142 8.762 1.976 0.043 1.00 0.00 C ATOM 258 CD2 TYR A 142 10.895 1.707 -0.988 1.00 0.00 C ATOM 259 CE1 TYR A 142 8.520 0.622 -0.094 1.00 0.00 C ATOM 260 CE2 TYR A 142 10.659 0.352 -1.129 1.00 0.00 C ATOM 261 CZ TYR A 142 9.472 -0.185 -0.680 1.00 0.00 C ATOM 262 OH TYR A 142 9.234 -1.534 -0.818 1.00 0.00 O ATOM 0 H TYR A 142 10.442 6.472 -0.307 1.00 0.00 H new ATOM 0 HA TYR A 142 9.802 4.596 -2.282 1.00 0.00 H new ATOM 0 HB2 TYR A 142 11.283 4.204 -0.331 1.00 0.00 H new ATOM 0 HB3 TYR A 142 9.910 4.335 0.751 1.00 0.00 H new ATOM 0 HD1 TYR A 142 8.014 2.605 0.502 1.00 0.00 H new ATOM 0 HD2 TYR A 142 11.827 2.124 -1.340 1.00 0.00 H new ATOM 0 HE1 TYR A 142 7.590 0.199 0.256 1.00 0.00 H new ATOM 0 HE2 TYR A 142 11.402 -0.283 -1.589 1.00 0.00 H new ATOM 0 HH TYR A 142 8.281 -1.714 -0.678 1.00 0.00 H new ATOM 272 N HIS A 143 7.316 5.472 -0.359 1.00 0.00 N ATOM 273 CA HIS A 143 5.874 5.358 -0.169 1.00 0.00 C ATOM 274 C HIS A 143 5.130 6.378 -1.024 1.00 0.00 C ATOM 275 O HIS A 143 4.121 6.942 -0.601 1.00 0.00 O ATOM 276 CB HIS A 143 5.516 5.554 1.305 1.00 0.00 C ATOM 277 CG HIS A 143 5.648 4.309 2.125 1.00 0.00 C ATOM 278 ND1 HIS A 143 6.155 4.301 3.407 1.00 0.00 N ATOM 279 CD2 HIS A 143 5.336 3.021 1.839 1.00 0.00 C ATOM 280 CE1 HIS A 143 6.150 3.064 3.874 1.00 0.00 C ATOM 281 NE2 HIS A 143 5.657 2.270 2.942 1.00 0.00 N ATOM 0 H HIS A 143 7.755 6.218 0.180 1.00 0.00 H new ATOM 0 HA HIS A 143 5.570 4.359 -0.480 1.00 0.00 H new ATOM 0 HB2 HIS A 143 6.159 6.326 1.727 1.00 0.00 H new ATOM 0 HB3 HIS A 143 4.491 5.919 1.376 1.00 0.00 H new ATOM 0 HD1 HIS A 143 6.483 5.122 3.916 1.00 0.00 H new ATOM 0 HD2 HIS A 143 4.914 2.654 0.915 1.00 0.00 H new ATOM 0 HE1 HIS A 143 6.491 2.756 4.851 1.00 0.00 H new ATOM 289 N ARG A 144 5.634 6.609 -2.232 1.00 0.00 N ATOM 290 CA ARG A 144 5.017 7.562 -3.149 1.00 0.00 C ATOM 291 C ARG A 144 4.821 6.943 -4.528 1.00 0.00 C ATOM 292 O ARG A 144 3.691 6.762 -4.983 1.00 0.00 O ATOM 293 CB ARG A 144 5.874 8.824 -3.259 1.00 0.00 C ATOM 294 CG ARG A 144 5.117 10.032 -3.788 1.00 0.00 C ATOM 295 CD ARG A 144 5.490 10.338 -5.230 1.00 0.00 C ATOM 296 NE ARG A 144 6.820 10.935 -5.337 1.00 0.00 N ATOM 297 CZ ARG A 144 7.242 11.620 -6.396 1.00 0.00 C ATOM 298 NH1 ARG A 144 6.445 11.795 -7.443 1.00 0.00 N ATOM 299 NH2 ARG A 144 8.467 12.129 -6.411 1.00 0.00 N ATOM 0 H ARG A 144 6.468 6.150 -2.599 1.00 0.00 H new ATOM 0 HA ARG A 144 4.039 7.830 -2.750 1.00 0.00 H new ATOM 0 HB2 ARG A 144 6.281 9.063 -2.277 1.00 0.00 H new ATOM 0 HB3 ARG A 144 6.721 8.621 -3.914 1.00 0.00 H new ATOM 0 HG2 ARG A 144 4.045 9.849 -3.720 1.00 0.00 H new ATOM 0 HG3 ARG A 144 5.332 10.899 -3.164 1.00 0.00 H new ATOM 0 HD2 ARG A 144 5.457 9.419 -5.816 1.00 0.00 H new ATOM 0 HD3 ARG A 144 4.753 11.016 -5.659 1.00 0.00 H new ATOM 0 HE ARG A 144 7.462 10.819 -4.553 1.00 0.00 H new ATOM 0 HH11 ARG A 144 5.503 11.403 -7.438 1.00 0.00 H new ATOM 0 HH12 ARG A 144 6.774 12.321 -8.252 1.00 0.00 H new ATOM 0 HH21 ARG A 144 9.085 11.995 -5.611 1.00 0.00 H new ATOM 0 HH22 ARG A 144 8.791 12.654 -7.223 1.00 0.00 H new ATOM 313 N ARG A 145 5.928 6.620 -5.190 1.00 0.00 N ATOM 314 CA ARG A 145 5.876 6.020 -6.519 1.00 0.00 C ATOM 315 C ARG A 145 5.108 4.702 -6.492 1.00 0.00 C ATOM 316 O ARG A 145 4.463 4.328 -7.471 1.00 0.00 O ATOM 317 CB ARG A 145 7.292 5.790 -7.051 1.00 0.00 C ATOM 318 CG ARG A 145 7.428 6.044 -8.545 1.00 0.00 C ATOM 319 CD ARG A 145 8.707 6.800 -8.870 1.00 0.00 C ATOM 320 NE ARG A 145 8.517 7.754 -9.960 1.00 0.00 N ATOM 321 CZ ARG A 145 9.518 8.359 -10.597 1.00 0.00 C ATOM 322 NH1 ARG A 145 10.776 8.112 -10.258 1.00 0.00 N ATOM 323 NH2 ARG A 145 9.257 9.212 -11.578 1.00 0.00 N ATOM 0 H ARG A 145 6.871 6.763 -4.828 1.00 0.00 H new ATOM 0 HA ARG A 145 5.353 6.709 -7.183 1.00 0.00 H new ATOM 0 HB2 ARG A 145 7.983 6.441 -6.515 1.00 0.00 H new ATOM 0 HB3 ARG A 145 7.590 4.764 -6.836 1.00 0.00 H new ATOM 0 HG2 ARG A 145 7.421 5.093 -9.078 1.00 0.00 H new ATOM 0 HG3 ARG A 145 6.568 6.614 -8.898 1.00 0.00 H new ATOM 0 HD2 ARG A 145 9.051 7.329 -7.981 1.00 0.00 H new ATOM 0 HD3 ARG A 145 9.489 6.090 -9.141 1.00 0.00 H new ATOM 0 HE ARG A 145 7.563 7.969 -10.250 1.00 0.00 H new ATOM 0 HH11 ARG A 145 10.982 7.455 -9.505 1.00 0.00 H new ATOM 0 HH12 ARG A 145 11.538 8.579 -10.750 1.00 0.00 H new ATOM 0 HH21 ARG A 145 8.291 9.404 -11.844 1.00 0.00 H new ATOM 0 HH22 ARG A 145 10.022 9.676 -12.067 1.00 0.00 H new ATOM 337 N HIS A 146 5.184 4.001 -5.365 1.00 0.00 N ATOM 338 CA HIS A 146 4.496 2.725 -5.208 1.00 0.00 C ATOM 339 C HIS A 146 2.982 2.915 -5.132 1.00 0.00 C ATOM 340 O HIS A 146 2.222 1.959 -5.280 1.00 0.00 O ATOM 341 CB HIS A 146 4.993 2.005 -3.954 1.00 0.00 C ATOM 342 CG HIS A 146 6.416 1.545 -4.051 1.00 0.00 C ATOM 343 ND1 HIS A 146 7.145 1.597 -5.220 1.00 0.00 N ATOM 344 CD2 HIS A 146 7.243 1.023 -3.115 1.00 0.00 C ATOM 345 CE1 HIS A 146 8.360 1.125 -5.000 1.00 0.00 C ATOM 346 NE2 HIS A 146 8.445 0.771 -3.730 1.00 0.00 N ATOM 0 H HIS A 146 5.716 4.296 -4.546 1.00 0.00 H new ATOM 0 HA HIS A 146 4.719 2.117 -6.085 1.00 0.00 H new ATOM 0 HB2 HIS A 146 4.893 2.673 -3.098 1.00 0.00 H new ATOM 0 HB3 HIS A 146 4.354 1.143 -3.762 1.00 0.00 H new ATOM 0 HD2 HIS A 146 7.003 0.839 -2.078 1.00 0.00 H new ATOM 0 HE1 HIS A 146 9.149 1.043 -5.733 1.00 0.00 H new ATOM 0 HE2 HIS A 146 9.270 0.375 -3.279 1.00 0.00 H new ATOM 354 N LYS A 147 2.550 4.153 -4.896 1.00 0.00 N ATOM 355 CA LYS A 147 1.126 4.461 -4.797 1.00 0.00 C ATOM 356 C LYS A 147 0.505 3.781 -3.580 1.00 0.00 C ATOM 357 O LYS A 147 -0.540 3.139 -3.678 1.00 0.00 O ATOM 358 CB LYS A 147 0.395 4.027 -6.070 1.00 0.00 C ATOM 359 CG LYS A 147 0.996 4.601 -7.342 1.00 0.00 C ATOM 360 CD LYS A 147 -0.081 4.974 -8.349 1.00 0.00 C ATOM 361 CE LYS A 147 -0.302 3.869 -9.367 1.00 0.00 C ATOM 362 NZ LYS A 147 -0.683 2.585 -8.717 1.00 0.00 N ATOM 0 H LYS A 147 3.165 4.957 -4.770 1.00 0.00 H new ATOM 0 HA LYS A 147 1.022 5.540 -4.680 1.00 0.00 H new ATOM 0 HB2 LYS A 147 0.406 2.939 -6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 147 -0.649 4.332 -6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 147 1.590 5.482 -7.099 1.00 0.00 H new ATOM 0 HG3 LYS A 147 1.674 3.872 -7.786 1.00 0.00 H new ATOM 0 HD2 LYS A 147 -1.015 5.179 -7.825 1.00 0.00 H new ATOM 0 HD3 LYS A 147 0.203 5.892 -8.864 1.00 0.00 H new ATOM 0 HE2 LYS A 147 -1.084 4.169 -10.065 1.00 0.00 H new ATOM 0 HE3 LYS A 147 0.608 3.725 -9.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 -0.972 1.900 -9.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 0.131 2.208 -8.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 -1.474 2.749 -8.062 1.00 0.00 H new ATOM 376 N VAL A 148 1.158 3.928 -2.431 1.00 0.00 N ATOM 377 CA VAL A 148 0.672 3.333 -1.193 1.00 0.00 C ATOM 378 C VAL A 148 1.207 4.086 0.022 1.00 0.00 C ATOM 379 O VAL A 148 2.365 4.504 0.046 1.00 0.00 O ATOM 380 CB VAL A 148 1.078 1.848 -1.088 1.00 0.00 C ATOM 381 CG1 VAL A 148 2.593 1.700 -1.076 1.00 0.00 C ATOM 382 CG2 VAL A 148 0.459 1.211 0.148 1.00 0.00 C ATOM 0 H VAL A 148 2.026 4.455 -2.333 1.00 0.00 H new ATOM 0 HA VAL A 148 -0.416 3.403 -1.210 1.00 0.00 H new ATOM 0 HB VAL A 148 0.698 1.326 -1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 148 2.855 0.645 -1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 148 3.006 2.112 -1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 148 3.004 2.237 -0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 148 0.756 0.164 0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 148 0.804 1.735 1.039 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -0.627 1.277 0.086 1.00 0.00 H new ATOM 392 N CYS A 149 0.358 4.257 1.029 1.00 0.00 N ATOM 393 CA CYS A 149 0.747 4.961 2.244 1.00 0.00 C ATOM 394 C CYS A 149 1.491 4.029 3.197 1.00 0.00 C ATOM 395 O CYS A 149 1.876 2.922 2.822 1.00 0.00 O ATOM 396 CB CYS A 149 -0.486 5.558 2.934 1.00 0.00 C ATOM 397 SG CYS A 149 -1.584 4.337 3.694 1.00 0.00 S ATOM 0 H CYS A 149 -0.604 3.918 1.028 1.00 0.00 H new ATOM 0 HA CYS A 149 1.419 5.773 1.967 1.00 0.00 H new ATOM 0 HB2 CYS A 149 -0.154 6.257 3.701 1.00 0.00 H new ATOM 0 HB3 CYS A 149 -1.054 6.133 2.202 1.00 0.00 H new ATOM 402 N GLU A 150 1.695 4.486 4.428 1.00 0.00 N ATOM 403 CA GLU A 150 2.398 3.693 5.431 1.00 0.00 C ATOM 404 C GLU A 150 1.481 2.637 6.042 1.00 0.00 C ATOM 405 O GLU A 150 1.924 1.544 6.393 1.00 0.00 O ATOM 406 CB GLU A 150 2.952 4.599 6.531 1.00 0.00 C ATOM 407 CG GLU A 150 4.327 5.167 6.219 1.00 0.00 C ATOM 408 CD GLU A 150 4.306 6.667 6.007 1.00 0.00 C ATOM 409 OE1 GLU A 150 3.285 7.183 5.507 1.00 0.00 O ATOM 410 OE2 GLU A 150 5.313 7.328 6.341 1.00 0.00 O ATOM 0 H GLU A 150 1.384 5.401 4.755 1.00 0.00 H new ATOM 0 HA GLU A 150 3.224 3.184 4.935 1.00 0.00 H new ATOM 0 HB2 GLU A 150 2.257 5.422 6.696 1.00 0.00 H new ATOM 0 HB3 GLU A 150 3.004 4.035 7.462 1.00 0.00 H new ATOM 0 HG2 GLU A 150 5.008 4.929 7.036 1.00 0.00 H new ATOM 0 HG3 GLU A 150 4.721 4.683 5.325 1.00 0.00 H new ATOM 417 N ILE A 151 0.201 2.972 6.167 1.00 0.00 N ATOM 418 CA ILE A 151 -0.777 2.055 6.739 1.00 0.00 C ATOM 419 C ILE A 151 -0.893 0.779 5.912 1.00 0.00 C ATOM 420 O ILE A 151 -0.948 -0.322 6.458 1.00 0.00 O ATOM 421 CB ILE A 151 -2.168 2.713 6.847 1.00 0.00 C ATOM 422 CG1 ILE A 151 -2.081 4.010 7.655 1.00 0.00 C ATOM 423 CG2 ILE A 151 -3.165 1.752 7.480 1.00 0.00 C ATOM 424 CD1 ILE A 151 -1.525 3.817 9.049 1.00 0.00 C ATOM 0 H ILE A 151 -0.183 3.872 5.880 1.00 0.00 H new ATOM 0 HA ILE A 151 -0.422 1.802 7.738 1.00 0.00 H new ATOM 0 HB ILE A 151 -2.517 2.955 5.843 1.00 0.00 H new ATOM 0 HG12 ILE A 151 -1.454 4.722 7.118 1.00 0.00 H new ATOM 0 HG13 ILE A 151 -3.075 4.451 7.727 1.00 0.00 H new ATOM 0 HG21 ILE A 151 -4.141 2.233 7.548 1.00 0.00 H new ATOM 0 HG22 ILE A 151 -3.245 0.854 6.867 1.00 0.00 H new ATOM 0 HG23 ILE A 151 -2.824 1.480 8.479 1.00 0.00 H new ATOM 0 HD11 ILE A 151 -1.492 4.777 9.564 1.00 0.00 H new ATOM 0 HD12 ILE A 151 -2.164 3.130 9.604 1.00 0.00 H new ATOM 0 HD13 ILE A 151 -0.518 3.405 8.985 1.00 0.00 H new ATOM 436 N HIS A 152 -0.934 0.934 4.593 1.00 0.00 N ATOM 437 CA HIS A 152 -1.049 -0.210 3.697 1.00 0.00 C ATOM 438 C HIS A 152 0.324 -0.684 3.223 1.00 0.00 C ATOM 439 O HIS A 152 0.436 -1.364 2.204 1.00 0.00 O ATOM 440 CB HIS A 152 -1.923 0.147 2.494 1.00 0.00 C ATOM 441 CG HIS A 152 -3.355 0.394 2.852 1.00 0.00 C ATOM 442 ND1 HIS A 152 -3.945 1.637 2.786 1.00 0.00 N ATOM 443 CD2 HIS A 152 -4.320 -0.453 3.286 1.00 0.00 C ATOM 444 CE1 HIS A 152 -5.208 1.548 3.165 1.00 0.00 C ATOM 445 NE2 HIS A 152 -5.460 0.289 3.472 1.00 0.00 N ATOM 0 H HIS A 152 -0.889 1.838 4.122 1.00 0.00 H new ATOM 0 HA HIS A 152 -1.516 -1.024 4.251 1.00 0.00 H new ATOM 0 HB2 HIS A 152 -1.518 1.037 2.011 1.00 0.00 H new ATOM 0 HB3 HIS A 152 -1.873 -0.662 1.765 1.00 0.00 H new ATOM 0 HD2 HIS A 152 -4.212 -1.514 3.454 1.00 0.00 H new ATOM 0 HE1 HIS A 152 -5.913 2.365 3.215 1.00 0.00 H new ATOM 0 HE2 HIS A 152 -6.357 -0.074 3.795 1.00 0.00 H new ATOM 452 N SER A 153 1.364 -0.326 3.971 1.00 0.00 N ATOM 453 CA SER A 153 2.724 -0.723 3.624 1.00 0.00 C ATOM 454 C SER A 153 3.096 -2.027 4.320 1.00 0.00 C ATOM 455 O SER A 153 3.870 -2.825 3.793 1.00 0.00 O ATOM 456 CB SER A 153 3.714 0.378 4.011 1.00 0.00 C ATOM 457 OG SER A 153 5.052 -0.077 3.900 1.00 0.00 O ATOM 0 H SER A 153 1.291 0.237 4.819 1.00 0.00 H new ATOM 0 HA SER A 153 2.771 -0.878 2.546 1.00 0.00 H new ATOM 0 HB2 SER A 153 3.567 1.246 3.368 1.00 0.00 H new ATOM 0 HB3 SER A 153 3.521 0.702 5.033 1.00 0.00 H new ATOM 0 HG SER A 153 5.591 0.601 3.443 1.00 0.00 H new ATOM 463 N LYS A 154 2.535 -2.236 5.508 1.00 0.00 N ATOM 464 CA LYS A 154 2.803 -3.445 6.277 1.00 0.00 C ATOM 465 C LYS A 154 1.587 -3.837 7.112 1.00 0.00 C ATOM 466 O LYS A 154 1.720 -4.426 8.185 1.00 0.00 O ATOM 467 CB LYS A 154 4.021 -3.238 7.183 1.00 0.00 C ATOM 468 CG LYS A 154 5.242 -4.034 6.750 1.00 0.00 C ATOM 469 CD LYS A 154 5.934 -4.686 7.936 1.00 0.00 C ATOM 470 CE LYS A 154 6.411 -6.090 7.601 1.00 0.00 C ATOM 471 NZ LYS A 154 6.724 -6.878 8.827 1.00 0.00 N ATOM 0 H LYS A 154 1.893 -1.584 5.958 1.00 0.00 H new ATOM 0 HA LYS A 154 3.015 -4.254 5.578 1.00 0.00 H new ATOM 0 HB2 LYS A 154 4.275 -2.178 7.200 1.00 0.00 H new ATOM 0 HB3 LYS A 154 3.757 -3.519 8.203 1.00 0.00 H new ATOM 0 HG2 LYS A 154 4.943 -4.801 6.036 1.00 0.00 H new ATOM 0 HG3 LYS A 154 5.943 -3.376 6.236 1.00 0.00 H new ATOM 0 HD2 LYS A 154 6.783 -4.076 8.243 1.00 0.00 H new ATOM 0 HD3 LYS A 154 5.248 -4.726 8.782 1.00 0.00 H new ATOM 0 HE2 LYS A 154 5.644 -6.606 7.024 1.00 0.00 H new ATOM 0 HE3 LYS A 154 7.298 -6.031 6.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 7.046 -7.829 8.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 7.474 -6.399 9.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 5.871 -6.956 9.417 1.00 0.00 H new ATOM 485 N ALA A 155 0.401 -3.507 6.611 1.00 0.00 N ATOM 486 CA ALA A 155 -0.840 -3.824 7.308 1.00 0.00 C ATOM 487 C ALA A 155 -1.192 -5.301 7.158 1.00 0.00 C ATOM 488 O ALA A 155 -0.595 -6.011 6.351 1.00 0.00 O ATOM 489 CB ALA A 155 -1.974 -2.955 6.789 1.00 0.00 C ATOM 0 H ALA A 155 0.273 -3.020 5.724 1.00 0.00 H new ATOM 0 HA ALA A 155 -0.695 -3.617 8.368 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -2.894 -3.203 7.318 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -1.732 -1.905 6.953 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -2.110 -3.133 5.722 1.00 0.00 H new ATOM 495 N THR A 156 -2.167 -5.753 7.940 1.00 0.00 N ATOM 496 CA THR A 156 -2.599 -7.144 7.893 1.00 0.00 C ATOM 497 C THR A 156 -3.395 -7.428 6.624 1.00 0.00 C ATOM 498 O THR A 156 -3.380 -8.545 6.107 1.00 0.00 O ATOM 499 CB THR A 156 -3.459 -7.507 9.118 1.00 0.00 C ATOM 500 OG1 THR A 156 -4.364 -6.438 9.416 1.00 0.00 O ATOM 501 CG2 THR A 156 -2.583 -7.790 10.329 1.00 0.00 C ATOM 0 H THR A 156 -2.672 -5.176 8.613 1.00 0.00 H new ATOM 0 HA THR A 156 -1.697 -7.756 7.898 1.00 0.00 H new ATOM 0 HB THR A 156 -4.027 -8.407 8.882 1.00 0.00 H new ATOM 0 HG1 THR A 156 -4.908 -6.678 10.195 1.00 0.00 H new ATOM 0 HG21 THR A 156 -3.212 -8.044 11.182 1.00 0.00 H new ATOM 0 HG22 THR A 156 -1.916 -8.624 10.109 1.00 0.00 H new ATOM 0 HG23 THR A 156 -1.992 -6.905 10.565 1.00 0.00 H new ATOM 509 N THR A 157 -4.091 -6.410 6.128 1.00 0.00 N ATOM 510 CA THR A 157 -4.892 -6.550 4.919 1.00 0.00 C ATOM 511 C THR A 157 -5.098 -5.202 4.235 1.00 0.00 C ATOM 512 O THR A 157 -4.923 -4.149 4.850 1.00 0.00 O ATOM 513 CB THR A 157 -6.268 -7.171 5.227 1.00 0.00 C ATOM 514 OG1 THR A 157 -6.713 -6.759 6.525 1.00 0.00 O ATOM 515 CG2 THR A 157 -6.203 -8.690 5.167 1.00 0.00 C ATOM 0 H THR A 157 -4.116 -5.480 6.545 1.00 0.00 H new ATOM 0 HA THR A 157 -4.342 -7.213 4.251 1.00 0.00 H new ATOM 0 HB THR A 157 -6.975 -6.823 4.473 1.00 0.00 H new ATOM 0 HG1 THR A 157 -7.589 -7.157 6.712 1.00 0.00 H new ATOM 0 HG21 THR A 157 -7.186 -9.105 5.388 1.00 0.00 H new ATOM 0 HG22 THR A 157 -5.893 -9.002 4.170 1.00 0.00 H new ATOM 0 HG23 THR A 157 -5.483 -9.053 5.900 1.00 0.00 H new ATOM 523 N ALA A 158 -5.473 -5.243 2.961 1.00 0.00 N ATOM 524 CA ALA A 158 -5.705 -4.025 2.192 1.00 0.00 C ATOM 525 C ALA A 158 -6.753 -4.253 1.108 1.00 0.00 C ATOM 526 O ALA A 158 -6.982 -5.385 0.683 1.00 0.00 O ATOM 527 CB ALA A 158 -4.402 -3.534 1.576 1.00 0.00 C ATOM 0 H ALA A 158 -5.623 -6.106 2.439 1.00 0.00 H new ATOM 0 HA ALA A 158 -6.083 -3.261 2.871 1.00 0.00 H new ATOM 0 HB1 ALA A 158 -4.589 -2.625 1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 158 -3.682 -3.324 2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 158 -4.000 -4.302 0.914 1.00 0.00 H new ATOM 533 N LEU A 159 -7.389 -3.173 0.668 1.00 0.00 N ATOM 534 CA LEU A 159 -8.416 -3.259 -0.366 1.00 0.00 C ATOM 535 C LEU A 159 -7.992 -2.504 -1.622 1.00 0.00 C ATOM 536 O LEU A 159 -7.848 -1.281 -1.604 1.00 0.00 O ATOM 537 CB LEU A 159 -9.740 -2.698 0.157 1.00 0.00 C ATOM 538 CG LEU A 159 -10.993 -3.281 -0.498 1.00 0.00 C ATOM 539 CD1 LEU A 159 -10.920 -3.141 -2.011 1.00 0.00 C ATOM 540 CD2 LEU A 159 -11.171 -4.738 -0.103 1.00 0.00 C ATOM 0 H LEU A 159 -7.212 -2.228 1.010 1.00 0.00 H new ATOM 0 HA LEU A 159 -8.549 -4.310 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -9.794 -2.876 1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -9.742 -1.618 0.012 1.00 0.00 H new ATOM 0 HG LEU A 159 -11.859 -2.721 -0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -11.820 -3.561 -2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -10.841 -2.086 -2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -10.046 -3.675 -2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -12.067 -5.137 -0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -10.303 -5.312 -0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -11.271 -4.812 0.980 1.00 0.00 H new ATOM 552 N VAL A 160 -7.794 -3.239 -2.711 1.00 0.00 N ATOM 553 CA VAL A 160 -7.388 -2.639 -3.976 1.00 0.00 C ATOM 554 C VAL A 160 -8.057 -3.335 -5.156 1.00 0.00 C ATOM 555 O VAL A 160 -8.075 -4.564 -5.235 1.00 0.00 O ATOM 556 CB VAL A 160 -5.860 -2.693 -4.164 1.00 0.00 C ATOM 557 CG1 VAL A 160 -5.430 -1.812 -5.327 1.00 0.00 C ATOM 558 CG2 VAL A 160 -5.145 -2.285 -2.884 1.00 0.00 C ATOM 0 H VAL A 160 -7.908 -4.252 -2.743 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.705 -1.597 -3.943 1.00 0.00 H new ATOM 0 HB VAL A 160 -5.581 -3.721 -4.395 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -4.347 -1.865 -5.442 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -5.910 -2.158 -6.242 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -5.724 -0.781 -5.131 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -4.067 -2.330 -3.039 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -5.431 -1.268 -2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -5.424 -2.964 -2.079 1.00 0.00 H new ATOM 568 N GLY A 161 -8.603 -2.543 -6.074 1.00 0.00 N ATOM 569 CA GLY A 161 -9.264 -3.101 -7.239 1.00 0.00 C ATOM 570 C GLY A 161 -10.376 -4.066 -6.873 1.00 0.00 C ATOM 571 O GLY A 161 -10.641 -5.023 -7.599 1.00 0.00 O ATOM 0 H GLY A 161 -8.599 -1.524 -6.031 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -9.675 -2.291 -7.842 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -8.529 -3.617 -7.857 1.00 0.00 H new ATOM 575 N GLY A 162 -11.028 -3.812 -5.743 1.00 0.00 N ATOM 576 CA GLY A 162 -12.108 -4.672 -5.300 1.00 0.00 C ATOM 577 C GLY A 162 -11.626 -6.056 -4.908 1.00 0.00 C ATOM 578 O GLY A 162 -12.370 -7.030 -5.004 1.00 0.00 O ATOM 0 H GLY A 162 -10.827 -3.025 -5.126 1.00 0.00 H new ATOM 0 HA2 GLY A 162 -12.609 -4.211 -4.449 1.00 0.00 H new ATOM 0 HA3 GLY A 162 -12.847 -4.760 -6.096 1.00 0.00 H new ATOM 582 N ILE A 163 -10.375 -6.139 -4.465 1.00 0.00 N ATOM 583 CA ILE A 163 -9.794 -7.413 -4.055 1.00 0.00 C ATOM 584 C ILE A 163 -8.814 -7.224 -2.903 1.00 0.00 C ATOM 585 O ILE A 163 -8.019 -6.283 -2.898 1.00 0.00 O ATOM 586 CB ILE A 163 -9.063 -8.100 -5.226 1.00 0.00 C ATOM 587 CG1 ILE A 163 -9.954 -8.124 -6.469 1.00 0.00 C ATOM 588 CG2 ILE A 163 -8.649 -9.510 -4.836 1.00 0.00 C ATOM 589 CD1 ILE A 163 -9.294 -8.763 -7.671 1.00 0.00 C ATOM 0 H ILE A 163 -9.745 -5.341 -4.381 1.00 0.00 H new ATOM 0 HA ILE A 163 -10.619 -8.046 -3.728 1.00 0.00 H new ATOM 0 HB ILE A 163 -8.164 -7.530 -5.459 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -10.872 -8.664 -6.238 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -10.240 -7.103 -6.721 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -8.134 -9.983 -5.673 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -7.981 -9.468 -3.976 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -9.535 -10.092 -4.580 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -9.982 -8.746 -8.516 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -8.391 -8.209 -7.927 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -9.033 -9.795 -7.437 1.00 0.00 H new ATOM 601 N MET A 164 -8.873 -8.124 -1.927 1.00 0.00 N ATOM 602 CA MET A 164 -7.990 -8.057 -0.770 1.00 0.00 C ATOM 603 C MET A 164 -6.559 -8.416 -1.158 1.00 0.00 C ATOM 604 O MET A 164 -6.333 -9.282 -2.003 1.00 0.00 O ATOM 605 CB MET A 164 -8.482 -8.998 0.331 1.00 0.00 C ATOM 606 CG MET A 164 -9.698 -8.473 1.080 1.00 0.00 C ATOM 607 SD MET A 164 -9.435 -8.385 2.862 1.00 0.00 S ATOM 608 CE MET A 164 -9.389 -6.611 3.111 1.00 0.00 C ATOM 0 H MET A 164 -9.524 -8.909 -1.915 1.00 0.00 H new ATOM 0 HA MET A 164 -8.002 -7.034 -0.395 1.00 0.00 H new ATOM 0 HB2 MET A 164 -8.726 -9.964 -0.110 1.00 0.00 H new ATOM 0 HB3 MET A 164 -7.673 -9.167 1.041 1.00 0.00 H new ATOM 0 HG2 MET A 164 -9.950 -7.481 0.705 1.00 0.00 H new ATOM 0 HG3 MET A 164 -10.552 -9.118 0.875 1.00 0.00 H new ATOM 0 HE1 MET A 164 -9.250 -6.396 4.170 1.00 0.00 H new ATOM 0 HE2 MET A 164 -8.562 -6.185 2.543 1.00 0.00 H new ATOM 0 HE3 MET A 164 -10.327 -6.172 2.772 1.00 0.00 H new ATOM 618 N GLN A 165 -5.596 -7.744 -0.536 1.00 0.00 N ATOM 619 CA GLN A 165 -4.187 -7.993 -0.818 1.00 0.00 C ATOM 620 C GLN A 165 -3.295 -7.324 0.222 1.00 0.00 C ATOM 621 O GLN A 165 -3.782 -6.667 1.141 1.00 0.00 O ATOM 622 CB GLN A 165 -3.828 -7.484 -2.216 1.00 0.00 C ATOM 623 CG GLN A 165 -4.367 -6.094 -2.512 1.00 0.00 C ATOM 624 CD GLN A 165 -4.194 -5.702 -3.966 1.00 0.00 C ATOM 625 OE1 GLN A 165 -3.435 -4.789 -4.289 1.00 0.00 O ATOM 626 NE2 GLN A 165 -4.901 -6.390 -4.854 1.00 0.00 N ATOM 0 H GLN A 165 -5.765 -7.024 0.166 1.00 0.00 H new ATOM 0 HA GLN A 165 -4.020 -9.069 -0.775 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -2.743 -7.475 -2.323 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -4.216 -8.181 -2.959 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -5.425 -6.055 -2.252 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -3.856 -5.368 -1.880 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -5.519 -7.140 -4.543 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -4.826 -6.169 -5.847 1.00 0.00 H new ATOM 635 N ARG A 166 -1.987 -7.498 0.071 1.00 0.00 N ATOM 636 CA ARG A 166 -1.023 -6.912 0.994 1.00 0.00 C ATOM 637 C ARG A 166 0.205 -6.403 0.247 1.00 0.00 C ATOM 638 O ARG A 166 0.448 -6.783 -0.898 1.00 0.00 O ATOM 639 CB ARG A 166 -0.605 -7.938 2.050 1.00 0.00 C ATOM 640 CG ARG A 166 -1.467 -7.908 3.302 1.00 0.00 C ATOM 641 CD ARG A 166 -1.008 -8.939 4.322 1.00 0.00 C ATOM 642 NE ARG A 166 -1.975 -10.022 4.478 1.00 0.00 N ATOM 643 CZ ARG A 166 -1.718 -11.160 5.120 1.00 0.00 C ATOM 644 NH1 ARG A 166 -0.525 -11.366 5.665 1.00 0.00 N ATOM 645 NH2 ARG A 166 -2.654 -12.093 5.216 1.00 0.00 N ATOM 0 H ARG A 166 -1.569 -8.042 -0.684 1.00 0.00 H new ATOM 0 HA ARG A 166 -1.500 -6.067 1.490 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -0.649 -8.935 1.613 1.00 0.00 H new ATOM 0 HB3 ARG A 166 0.433 -7.757 2.329 1.00 0.00 H new ATOM 0 HG2 ARG A 166 -1.429 -6.914 3.747 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -2.506 -8.098 3.034 1.00 0.00 H new ATOM 0 HD2 ARG A 166 -0.048 -9.352 4.013 1.00 0.00 H new ATOM 0 HD3 ARG A 166 -0.851 -8.452 5.284 1.00 0.00 H new ATOM 0 HE ARG A 166 -2.902 -9.900 4.071 1.00 0.00 H new ATOM 0 HH11 ARG A 166 0.199 -10.651 5.593 1.00 0.00 H new ATOM 0 HH12 ARG A 166 -0.332 -12.239 6.156 1.00 0.00 H new ATOM 0 HH21 ARG A 166 -3.572 -11.940 4.798 1.00 0.00 H new ATOM 0 HH22 ARG A 166 -2.457 -12.965 5.708 1.00 0.00 H new ATOM 659 N PHE A 167 0.976 -5.541 0.902 1.00 0.00 N ATOM 660 CA PHE A 167 2.177 -4.979 0.298 1.00 0.00 C ATOM 661 C PHE A 167 3.425 -5.708 0.787 1.00 0.00 C ATOM 662 O PHE A 167 3.546 -6.029 1.969 1.00 0.00 O ATOM 663 CB PHE A 167 2.286 -3.488 0.620 1.00 0.00 C ATOM 664 CG PHE A 167 3.396 -2.794 -0.118 1.00 0.00 C ATOM 665 CD1 PHE A 167 3.263 -2.479 -1.460 1.00 0.00 C ATOM 666 CD2 PHE A 167 4.573 -2.458 0.533 1.00 0.00 C ATOM 667 CE1 PHE A 167 4.282 -1.841 -2.141 1.00 0.00 C ATOM 668 CE2 PHE A 167 5.596 -1.819 -0.143 1.00 0.00 C ATOM 669 CZ PHE A 167 5.451 -1.511 -1.482 1.00 0.00 C ATOM 0 H PHE A 167 0.790 -5.217 1.851 1.00 0.00 H new ATOM 0 HA PHE A 167 2.103 -5.106 -0.782 1.00 0.00 H new ATOM 0 HB2 PHE A 167 1.341 -3.002 0.378 1.00 0.00 H new ATOM 0 HB3 PHE A 167 2.442 -3.367 1.692 1.00 0.00 H new ATOM 0 HD1 PHE A 167 2.352 -2.735 -1.980 1.00 0.00 H new ATOM 0 HD2 PHE A 167 4.692 -2.698 1.579 1.00 0.00 H new ATOM 0 HE1 PHE A 167 4.165 -1.600 -3.187 1.00 0.00 H new ATOM 0 HE2 PHE A 167 6.508 -1.561 0.375 1.00 0.00 H new ATOM 0 HZ PHE A 167 6.249 -1.013 -2.012 1.00 0.00 H new ATOM 679 N CYS A 168 4.351 -5.966 -0.131 1.00 0.00 N ATOM 680 CA CYS A 168 5.590 -6.655 0.206 1.00 0.00 C ATOM 681 C CYS A 168 6.777 -5.697 0.156 1.00 0.00 C ATOM 682 O CYS A 168 6.792 -4.755 -0.635 1.00 0.00 O ATOM 683 CB CYS A 168 5.824 -7.826 -0.751 1.00 0.00 C ATOM 684 SG CYS A 168 6.490 -9.308 0.043 1.00 0.00 S ATOM 0 H CYS A 168 4.266 -5.708 -1.114 1.00 0.00 H new ATOM 0 HA CYS A 168 5.498 -7.038 1.222 1.00 0.00 H new ATOM 0 HB2 CYS A 168 4.881 -8.079 -1.235 1.00 0.00 H new ATOM 0 HB3 CYS A 168 6.510 -7.508 -1.536 1.00 0.00 H new ATOM 0 HG CYS A 168 6.116 -10.361 -0.621 1.00 0.00 H new ATOM 690 N GLN A 169 7.768 -5.945 1.007 1.00 0.00 N ATOM 691 CA GLN A 169 8.957 -5.103 1.059 1.00 0.00 C ATOM 692 C GLN A 169 10.011 -5.586 0.070 1.00 0.00 C ATOM 693 O GLN A 169 10.789 -4.792 -0.461 1.00 0.00 O ATOM 694 CB GLN A 169 9.537 -5.094 2.476 1.00 0.00 C ATOM 695 CG GLN A 169 8.926 -4.034 3.377 1.00 0.00 C ATOM 696 CD GLN A 169 9.619 -3.942 4.721 1.00 0.00 C ATOM 697 OE1 GLN A 169 10.747 -3.460 4.821 1.00 0.00 O ATOM 698 NE2 GLN A 169 8.946 -4.408 5.767 1.00 0.00 N ATOM 0 H GLN A 169 7.771 -6.721 1.669 1.00 0.00 H new ATOM 0 HA GLN A 169 8.666 -4.089 0.784 1.00 0.00 H new ATOM 0 HB2 GLN A 169 9.385 -6.074 2.928 1.00 0.00 H new ATOM 0 HB3 GLN A 169 10.613 -4.933 2.418 1.00 0.00 H new ATOM 0 HG2 GLN A 169 8.977 -3.066 2.879 1.00 0.00 H new ATOM 0 HG3 GLN A 169 7.870 -4.258 3.531 1.00 0.00 H new ATOM 0 HE21 GLN A 169 8.013 -4.800 5.640 1.00 0.00 H new ATOM 0 HE22 GLN A 169 9.362 -4.374 6.698 1.00 0.00 H new ATOM 707 N GLN A 170 10.032 -6.892 -0.177 1.00 0.00 N ATOM 708 CA GLN A 170 10.991 -7.479 -1.104 1.00 0.00 C ATOM 709 C GLN A 170 10.486 -7.391 -2.540 1.00 0.00 C ATOM 710 O GLN A 170 11.271 -7.258 -3.479 1.00 0.00 O ATOM 711 CB GLN A 170 11.259 -8.940 -0.735 1.00 0.00 C ATOM 712 CG GLN A 170 9.994 -9.758 -0.532 1.00 0.00 C ATOM 713 CD GLN A 170 10.015 -11.066 -1.298 1.00 0.00 C ATOM 714 OE1 GLN A 170 10.658 -11.179 -2.341 1.00 0.00 O ATOM 715 NE2 GLN A 170 9.309 -12.066 -0.782 1.00 0.00 N ATOM 0 H GLN A 170 9.395 -7.563 0.252 1.00 0.00 H new ATOM 0 HA GLN A 170 11.921 -6.915 -1.030 1.00 0.00 H new ATOM 0 HB2 GLN A 170 11.857 -9.401 -1.521 1.00 0.00 H new ATOM 0 HB3 GLN A 170 11.853 -8.972 0.178 1.00 0.00 H new ATOM 0 HG2 GLN A 170 9.867 -9.966 0.530 1.00 0.00 H new ATOM 0 HG3 GLN A 170 9.132 -9.171 -0.847 1.00 0.00 H new ATOM 0 HE21 GLN A 170 8.790 -11.929 0.085 1.00 0.00 H new ATOM 0 HE22 GLN A 170 9.286 -12.970 -1.253 1.00 0.00 H new ATOM 724 N CYS A 171 9.169 -7.468 -2.704 1.00 0.00 N ATOM 725 CA CYS A 171 8.558 -7.396 -4.026 1.00 0.00 C ATOM 726 C CYS A 171 8.314 -5.947 -4.436 1.00 0.00 C ATOM 727 O CYS A 171 8.331 -5.616 -5.621 1.00 0.00 O ATOM 728 CB CYS A 171 7.240 -8.172 -4.044 1.00 0.00 C ATOM 729 SG CYS A 171 7.334 -9.807 -3.277 1.00 0.00 S ATOM 0 H CYS A 171 8.505 -7.580 -1.938 1.00 0.00 H new ATOM 0 HA CYS A 171 9.247 -7.845 -4.742 1.00 0.00 H new ATOM 0 HB2 CYS A 171 6.478 -7.585 -3.531 1.00 0.00 H new ATOM 0 HB3 CYS A 171 6.912 -8.286 -5.077 1.00 0.00 H new ATOM 0 HG CYS A 171 7.220 -9.689 -1.987 1.00 0.00 H new ATOM 735 N SER A 172 8.084 -5.087 -3.448 1.00 0.00 N ATOM 736 CA SER A 172 7.836 -3.675 -3.708 1.00 0.00 C ATOM 737 C SER A 172 6.573 -3.489 -4.544 1.00 0.00 C ATOM 738 O SER A 172 6.459 -2.533 -5.312 1.00 0.00 O ATOM 739 CB SER A 172 9.032 -3.045 -4.421 1.00 0.00 C ATOM 740 OG SER A 172 10.200 -3.116 -3.621 1.00 0.00 O ATOM 0 H SER A 172 8.064 -5.344 -2.461 1.00 0.00 H new ATOM 0 HA SER A 172 7.693 -3.176 -2.749 1.00 0.00 H new ATOM 0 HB2 SER A 172 9.205 -3.556 -5.368 1.00 0.00 H new ATOM 0 HB3 SER A 172 8.812 -2.004 -4.656 1.00 0.00 H new ATOM 0 HG SER A 172 10.951 -2.708 -4.101 1.00 0.00 H new ATOM 746 N ARG A 173 5.627 -4.410 -4.390 1.00 0.00 N ATOM 747 CA ARG A 173 4.371 -4.349 -5.130 1.00 0.00 C ATOM 748 C ARG A 173 3.261 -5.068 -4.373 1.00 0.00 C ATOM 749 O ARG A 173 3.524 -5.929 -3.534 1.00 0.00 O ATOM 750 CB ARG A 173 4.544 -4.969 -6.520 1.00 0.00 C ATOM 751 CG ARG A 173 4.873 -3.952 -7.601 1.00 0.00 C ATOM 752 CD ARG A 173 3.672 -3.081 -7.932 1.00 0.00 C ATOM 753 NE ARG A 173 3.006 -3.509 -9.160 1.00 0.00 N ATOM 754 CZ ARG A 173 2.167 -2.743 -9.854 1.00 0.00 C ATOM 755 NH1 ARG A 173 1.890 -1.512 -9.446 1.00 0.00 N ATOM 756 NH2 ARG A 173 1.607 -3.210 -10.962 1.00 0.00 N ATOM 0 H ARG A 173 5.706 -5.208 -3.759 1.00 0.00 H new ATOM 0 HA ARG A 173 4.091 -3.301 -5.240 1.00 0.00 H new ATOM 0 HB2 ARG A 173 5.338 -5.715 -6.480 1.00 0.00 H new ATOM 0 HB3 ARG A 173 3.628 -5.493 -6.792 1.00 0.00 H new ATOM 0 HG2 ARG A 173 5.700 -3.323 -7.271 1.00 0.00 H new ATOM 0 HG3 ARG A 173 5.206 -4.470 -8.500 1.00 0.00 H new ATOM 0 HD2 ARG A 173 2.963 -3.113 -7.105 1.00 0.00 H new ATOM 0 HD3 ARG A 173 3.994 -2.045 -8.036 1.00 0.00 H new ATOM 0 HE ARG A 173 3.195 -4.450 -9.506 1.00 0.00 H new ATOM 0 HH11 ARG A 173 2.321 -1.147 -8.596 1.00 0.00 H new ATOM 0 HH12 ARG A 173 1.246 -0.930 -9.982 1.00 0.00 H new ATOM 0 HH21 ARG A 173 1.819 -4.155 -11.281 1.00 0.00 H new ATOM 0 HH22 ARG A 173 0.964 -2.624 -11.495 1.00 0.00 H new ATOM 770 N PHE A 174 2.017 -4.709 -4.675 1.00 0.00 N ATOM 771 CA PHE A 174 0.866 -5.322 -4.021 1.00 0.00 C ATOM 772 C PHE A 174 0.676 -6.762 -4.487 1.00 0.00 C ATOM 773 O PHE A 174 0.778 -7.058 -5.678 1.00 0.00 O ATOM 774 CB PHE A 174 -0.400 -4.511 -4.304 1.00 0.00 C ATOM 775 CG PHE A 174 -0.715 -3.498 -3.239 1.00 0.00 C ATOM 776 CD1 PHE A 174 -0.721 -3.861 -1.901 1.00 0.00 C ATOM 777 CD2 PHE A 174 -1.007 -2.187 -3.576 1.00 0.00 C ATOM 778 CE1 PHE A 174 -1.011 -2.933 -0.920 1.00 0.00 C ATOM 779 CE2 PHE A 174 -1.298 -1.255 -2.599 1.00 0.00 C ATOM 780 CZ PHE A 174 -1.300 -1.628 -1.269 1.00 0.00 C ATOM 0 H PHE A 174 1.780 -3.998 -5.367 1.00 0.00 H new ATOM 0 HA PHE A 174 1.053 -5.329 -2.947 1.00 0.00 H new ATOM 0 HB2 PHE A 174 -0.287 -3.999 -5.259 1.00 0.00 H new ATOM 0 HB3 PHE A 174 -1.244 -5.194 -4.406 1.00 0.00 H new ATOM 0 HD1 PHE A 174 -0.497 -4.880 -1.623 1.00 0.00 H new ATOM 0 HD2 PHE A 174 -1.007 -1.890 -4.614 1.00 0.00 H new ATOM 0 HE1 PHE A 174 -1.012 -3.227 0.119 1.00 0.00 H new ATOM 0 HE2 PHE A 174 -1.524 -0.235 -2.875 1.00 0.00 H new ATOM 0 HZ PHE A 174 -1.527 -0.901 -0.503 1.00 0.00 H new ATOM 790 N HIS A 175 0.399 -7.653 -3.541 1.00 0.00 N ATOM 791 CA HIS A 175 0.194 -9.061 -3.853 1.00 0.00 C ATOM 792 C HIS A 175 -1.132 -9.555 -3.279 1.00 0.00 C ATOM 793 O HIS A 175 -1.471 -9.260 -2.133 1.00 0.00 O ATOM 794 CB HIS A 175 1.349 -9.901 -3.302 1.00 0.00 C ATOM 795 CG HIS A 175 2.384 -10.241 -4.329 1.00 0.00 C ATOM 796 ND1 HIS A 175 2.668 -9.431 -5.408 1.00 0.00 N ATOM 797 CD2 HIS A 175 3.207 -11.311 -4.437 1.00 0.00 C ATOM 798 CE1 HIS A 175 3.618 -9.990 -6.137 1.00 0.00 C ATOM 799 NE2 HIS A 175 3.964 -11.129 -5.568 1.00 0.00 N ATOM 0 H HIS A 175 0.311 -7.424 -2.551 1.00 0.00 H new ATOM 0 HA HIS A 175 0.163 -9.169 -4.937 1.00 0.00 H new ATOM 0 HB2 HIS A 175 1.824 -9.359 -2.485 1.00 0.00 H new ATOM 0 HB3 HIS A 175 0.949 -10.824 -2.882 1.00 0.00 H new ATOM 0 HD1 HIS A 175 2.216 -8.540 -5.612 1.00 0.00 H new ATOM 0 HD2 HIS A 175 3.258 -12.151 -3.760 1.00 0.00 H new ATOM 0 HE1 HIS A 175 4.040 -9.584 -7.044 1.00 0.00 H new ATOM 807 N VAL A 176 -1.878 -10.308 -4.084 1.00 0.00 N ATOM 808 CA VAL A 176 -3.168 -10.842 -3.659 1.00 0.00 C ATOM 809 C VAL A 176 -3.069 -11.521 -2.295 1.00 0.00 C ATOM 810 O VAL A 176 -1.981 -11.660 -1.737 1.00 0.00 O ATOM 811 CB VAL A 176 -3.723 -11.850 -4.681 1.00 0.00 C ATOM 812 CG1 VAL A 176 -4.267 -11.127 -5.904 1.00 0.00 C ATOM 813 CG2 VAL A 176 -2.651 -12.854 -5.077 1.00 0.00 C ATOM 0 H VAL A 176 -1.610 -10.562 -5.035 1.00 0.00 H new ATOM 0 HA VAL A 176 -3.848 -9.993 -3.587 1.00 0.00 H new ATOM 0 HB VAL A 176 -4.544 -12.396 -4.217 1.00 0.00 H new ATOM 0 HG11 VAL A 176 -4.655 -11.856 -6.615 1.00 0.00 H new ATOM 0 HG12 VAL A 176 -5.069 -10.453 -5.602 1.00 0.00 H new ATOM 0 HG13 VAL A 176 -3.468 -10.553 -6.373 1.00 0.00 H new ATOM 0 HG21 VAL A 176 -3.062 -13.559 -5.800 1.00 0.00 H new ATOM 0 HG22 VAL A 176 -1.807 -12.328 -5.522 1.00 0.00 H new ATOM 0 HG23 VAL A 176 -2.316 -13.396 -4.193 1.00 0.00 H new ATOM 823 N LEU A 177 -4.213 -11.939 -1.765 1.00 0.00 N ATOM 824 CA LEU A 177 -4.257 -12.602 -0.467 1.00 0.00 C ATOM 825 C LEU A 177 -4.241 -14.120 -0.627 1.00 0.00 C ATOM 826 O LEU A 177 -4.951 -14.837 0.079 1.00 0.00 O ATOM 827 CB LEU A 177 -5.506 -12.170 0.307 1.00 0.00 C ATOM 828 CG LEU A 177 -5.280 -11.878 1.791 1.00 0.00 C ATOM 829 CD1 LEU A 177 -4.452 -10.614 1.965 1.00 0.00 C ATOM 830 CD2 LEU A 177 -6.610 -11.750 2.517 1.00 0.00 C ATOM 0 H LEU A 177 -5.122 -11.831 -2.214 1.00 0.00 H new ATOM 0 HA LEU A 177 -3.370 -12.307 0.094 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -5.916 -11.277 -0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -6.259 -12.953 0.217 1.00 0.00 H new ATOM 0 HG LEU A 177 -4.730 -12.712 2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -4.301 -10.421 3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -3.485 -10.743 1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -4.976 -9.771 1.514 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -6.430 -11.542 3.572 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -7.186 -10.935 2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -7.168 -12.681 2.421 1.00 0.00 H new ATOM 842 N GLU A 178 -3.427 -14.604 -1.560 1.00 0.00 N ATOM 843 CA GLU A 178 -3.318 -16.035 -1.812 1.00 0.00 C ATOM 844 C GLU A 178 -1.966 -16.568 -1.348 1.00 0.00 C ATOM 845 O GLU A 178 -1.850 -17.720 -0.932 1.00 0.00 O ATOM 846 CB GLU A 178 -3.513 -16.330 -3.301 1.00 0.00 C ATOM 847 CG GLU A 178 -4.740 -15.661 -3.897 1.00 0.00 C ATOM 848 CD GLU A 178 -5.960 -16.561 -3.880 1.00 0.00 C ATOM 849 OE1 GLU A 178 -5.973 -17.528 -3.091 1.00 0.00 O ATOM 850 OE2 GLU A 178 -6.901 -16.301 -4.658 1.00 0.00 O ATOM 0 H GLU A 178 -2.833 -14.025 -2.154 1.00 0.00 H new ATOM 0 HA GLU A 178 -4.101 -16.538 -1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 178 -2.629 -16.001 -3.847 1.00 0.00 H new ATOM 0 HB3 GLU A 178 -3.592 -17.408 -3.442 1.00 0.00 H new ATOM 0 HG2 GLU A 178 -4.958 -14.749 -3.341 1.00 0.00 H new ATOM 0 HG3 GLU A 178 -4.525 -15.365 -4.924 1.00 0.00 H new ATOM 857 N GLU A 179 -0.944 -15.719 -1.425 1.00 0.00 N ATOM 858 CA GLU A 179 0.401 -16.104 -1.015 1.00 0.00 C ATOM 859 C GLU A 179 0.619 -15.816 0.468 1.00 0.00 C ATOM 860 O GLU A 179 1.195 -16.629 1.191 1.00 0.00 O ATOM 861 CB GLU A 179 1.444 -15.362 -1.854 1.00 0.00 C ATOM 862 CG GLU A 179 2.399 -16.285 -2.594 1.00 0.00 C ATOM 863 CD GLU A 179 2.809 -15.736 -3.946 1.00 0.00 C ATOM 864 OE1 GLU A 179 1.922 -15.282 -4.698 1.00 0.00 O ATOM 865 OE2 GLU A 179 4.020 -15.759 -4.253 1.00 0.00 O ATOM 0 H GLU A 179 -1.023 -14.761 -1.767 1.00 0.00 H new ATOM 0 HA GLU A 179 0.513 -17.176 -1.178 1.00 0.00 H new ATOM 0 HB2 GLU A 179 0.932 -14.728 -2.577 1.00 0.00 H new ATOM 0 HB3 GLU A 179 2.020 -14.703 -1.204 1.00 0.00 H new ATOM 0 HG2 GLU A 179 3.289 -16.444 -1.985 1.00 0.00 H new ATOM 0 HG3 GLU A 179 1.927 -17.258 -2.729 1.00 0.00 H new ATOM 872 N PHE A 180 0.156 -14.653 0.913 1.00 0.00 N ATOM 873 CA PHE A 180 0.300 -14.256 2.308 1.00 0.00 C ATOM 874 C PHE A 180 -0.454 -15.214 3.227 1.00 0.00 C ATOM 875 O PHE A 180 -1.435 -15.835 2.821 1.00 0.00 O ATOM 876 CB PHE A 180 -0.213 -12.829 2.512 1.00 0.00 C ATOM 877 CG PHE A 180 0.665 -11.781 1.889 1.00 0.00 C ATOM 878 CD1 PHE A 180 1.836 -11.381 2.512 1.00 0.00 C ATOM 879 CD2 PHE A 180 0.319 -11.197 0.681 1.00 0.00 C ATOM 880 CE1 PHE A 180 2.646 -10.417 1.942 1.00 0.00 C ATOM 881 CE2 PHE A 180 1.124 -10.233 0.106 1.00 0.00 C ATOM 882 CZ PHE A 180 2.290 -9.842 0.737 1.00 0.00 C ATOM 0 H PHE A 180 -0.322 -13.969 0.327 1.00 0.00 H new ATOM 0 HA PHE A 180 1.360 -14.293 2.561 1.00 0.00 H new ATOM 0 HB2 PHE A 180 -1.215 -12.748 2.092 1.00 0.00 H new ATOM 0 HB3 PHE A 180 -0.299 -12.632 3.581 1.00 0.00 H new ATOM 0 HD1 PHE A 180 2.119 -11.828 3.454 1.00 0.00 H new ATOM 0 HD2 PHE A 180 -0.591 -11.499 0.183 1.00 0.00 H new ATOM 0 HE1 PHE A 180 3.556 -10.113 2.438 1.00 0.00 H new ATOM 0 HE2 PHE A 180 0.843 -9.785 -0.836 1.00 0.00 H new ATOM 0 HZ PHE A 180 2.921 -9.089 0.289 1.00 0.00 H new ATOM 892 N ASP A 181 0.013 -15.326 4.467 1.00 0.00 N ATOM 893 CA ASP A 181 -0.618 -16.209 5.442 1.00 0.00 C ATOM 894 C ASP A 181 -0.438 -15.670 6.857 1.00 0.00 C ATOM 895 O ASP A 181 0.642 -15.898 7.444 1.00 0.00 O ATOM 896 CB ASP A 181 -0.030 -17.617 5.341 1.00 0.00 C ATOM 897 CG ASP A 181 -0.723 -18.458 4.288 1.00 0.00 C ATOM 898 OD1 ASP A 181 -0.550 -18.166 3.086 1.00 0.00 O ATOM 899 OD2 ASP A 181 -1.439 -19.410 4.666 1.00 0.00 O ATOM 900 OXT ASP A 181 -1.377 -15.026 7.369 1.00 0.00 O ATOM 0 H ASP A 181 0.824 -14.818 4.820 1.00 0.00 H new ATOM 0 HA ASP A 181 -1.685 -16.252 5.221 1.00 0.00 H new ATOM 0 HB2 ASP A 181 1.032 -17.548 5.106 1.00 0.00 H new ATOM 0 HB3 ASP A 181 -0.111 -18.112 6.309 1.00 0.00 H new TER 905 ASP A 181 HETATM 906 ZN ZN A 182 -3.501 3.664 2.284 1.00 0.00 ZN