USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=13 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 180:sc= 0 USER MOD Set 1.2: A 171 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 142 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 169 GLN : amide:sc= -0.271 X(o=-0.27,f=0.085) USER MOD Set 3.1: A 156 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 157 THR OG1 : rot 180:sc= -0.227 USER MOD Set 4.1: A 143 HIS : no HE2:sc= 0.213 K(o=1.5,f=-3.4!) USER MOD Set 4.2: A 153 SER OG : rot 167:sc= 1.25 USER MOD Single : A 126 CYS SG : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= 0.623 K(o=0.62,f=-0.51) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0717) USER MOD Single : A 146 HIS : no HD1:sc= -0.346 K(o=-0.35,f=-1.2) USER MOD Single : A 147 LYS NZ :NH3+ -126:sc= -0.0182 (180deg=-0.406) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 MET CE :methyl -144:sc= -0.011 (180deg=-1.29) USER MOD Single : A 165 GLN : amide:sc= -2.37 K(o=-2.4,f=-5.8!) USER MOD Single : A 170 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.15) USER MOD Single : A 172 SER OG : rot 180:sc= -0.0399 USER MOD Single : A 175 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 124 1.881 15.037 -6.332 1.00 0.00 N ATOM 2 CA ALA A 124 1.788 13.935 -5.337 1.00 0.00 C ATOM 3 C ALA A 124 1.081 12.723 -5.930 1.00 0.00 C ATOM 4 O ALA A 124 0.655 12.741 -7.085 1.00 0.00 O ATOM 5 CB ALA A 124 1.059 14.413 -4.091 1.00 0.00 C ATOM 0 HA ALA A 124 2.800 13.637 -5.063 1.00 0.00 H new ATOM 0 HB1 ALA A 124 0.997 13.598 -3.370 1.00 0.00 H new ATOM 0 HB2 ALA A 124 1.603 15.248 -3.649 1.00 0.00 H new ATOM 0 HB3 ALA A 124 0.053 14.737 -4.359 1.00 0.00 H new ATOM 11 N ILE A 125 0.959 11.667 -5.130 1.00 0.00 N ATOM 12 CA ILE A 125 0.302 10.444 -5.576 1.00 0.00 C ATOM 13 C ILE A 125 -0.507 9.813 -4.448 1.00 0.00 C ATOM 14 O ILE A 125 0.040 9.123 -3.588 1.00 0.00 O ATOM 15 CB ILE A 125 1.323 9.415 -6.096 1.00 0.00 C ATOM 16 CG1 ILE A 125 2.290 10.075 -7.081 1.00 0.00 C ATOM 17 CG2 ILE A 125 0.609 8.243 -6.751 1.00 0.00 C ATOM 18 CD1 ILE A 125 3.386 9.149 -7.564 1.00 0.00 C ATOM 0 H ILE A 125 1.306 11.634 -4.171 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.368 10.723 -6.389 1.00 0.00 H new ATOM 0 HB ILE A 125 1.898 9.038 -5.250 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.728 10.439 -7.941 1.00 0.00 H new ATOM 0 HG13 ILE A 125 2.743 10.945 -6.605 1.00 0.00 H new ATOM 0 HG21 ILE A 125 1.345 7.525 -7.113 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.041 7.760 -6.022 1.00 0.00 H new ATOM 0 HG23 ILE A 125 0.011 8.603 -7.588 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.034 9.683 -8.259 1.00 0.00 H new ATOM 0 HD12 ILE A 125 3.973 8.805 -6.712 1.00 0.00 H new ATOM 0 HD13 ILE A 125 2.941 8.291 -8.069 1.00 0.00 H new ATOM 30 N CYS A 126 -1.815 10.053 -4.457 1.00 0.00 N ATOM 31 CA CYS A 126 -2.701 9.508 -3.435 1.00 0.00 C ATOM 32 C CYS A 126 -2.620 7.984 -3.399 1.00 0.00 C ATOM 33 O CYS A 126 -2.210 7.352 -4.372 1.00 0.00 O ATOM 34 CB CYS A 126 -4.142 9.949 -3.692 1.00 0.00 C ATOM 35 SG CYS A 126 -4.601 11.488 -2.863 1.00 0.00 S ATOM 0 H CYS A 126 -2.285 10.622 -5.162 1.00 0.00 H new ATOM 0 HA CYS A 126 -2.378 9.893 -2.468 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -4.288 10.069 -4.765 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -4.817 9.158 -3.365 1.00 0.00 H new ATOM 0 HG CYS A 126 -5.837 11.780 -3.142 1.00 0.00 H new ATOM 41 N CYS A 127 -3.019 7.401 -2.274 1.00 0.00 N ATOM 42 CA CYS A 127 -2.994 5.953 -2.111 1.00 0.00 C ATOM 43 C CYS A 127 -3.849 5.271 -3.175 1.00 0.00 C ATOM 44 O CYS A 127 -4.877 5.805 -3.593 1.00 0.00 O ATOM 45 CB CYS A 127 -3.490 5.567 -0.717 1.00 0.00 C ATOM 46 SG CYS A 127 -3.058 3.883 -0.217 1.00 0.00 S ATOM 0 H CYS A 127 -3.364 7.910 -1.460 1.00 0.00 H new ATOM 0 HA CYS A 127 -1.964 5.617 -2.228 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -3.078 6.267 0.010 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -4.574 5.677 -0.686 1.00 0.00 H new ATOM 51 N GLN A 128 -3.419 4.092 -3.609 1.00 0.00 N ATOM 52 CA GLN A 128 -4.149 3.339 -4.623 1.00 0.00 C ATOM 53 C GLN A 128 -5.053 2.290 -3.982 1.00 0.00 C ATOM 54 O GLN A 128 -5.392 1.285 -4.606 1.00 0.00 O ATOM 55 CB GLN A 128 -3.173 2.666 -5.590 1.00 0.00 C ATOM 56 CG GLN A 128 -2.324 1.582 -4.944 1.00 0.00 C ATOM 57 CD GLN A 128 -1.645 0.689 -5.966 1.00 0.00 C ATOM 58 OE1 GLN A 128 -2.304 -0.047 -6.700 1.00 0.00 O ATOM 59 NE2 GLN A 128 -0.318 0.750 -6.015 1.00 0.00 N ATOM 0 H GLN A 128 -2.569 3.637 -3.275 1.00 0.00 H new ATOM 0 HA GLN A 128 -4.775 4.039 -5.177 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -3.735 2.231 -6.416 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -2.516 3.424 -6.016 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -1.567 2.046 -4.312 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -2.952 0.973 -4.294 1.00 0.00 H new ATOM 0 HE21 GLN A 128 0.187 1.375 -5.387 1.00 0.00 H new ATOM 0 HE22 GLN A 128 0.195 0.172 -6.681 1.00 0.00 H new ATOM 68 N VAL A 129 -5.443 2.531 -2.732 1.00 0.00 N ATOM 69 CA VAL A 129 -6.308 1.605 -2.012 1.00 0.00 C ATOM 70 C VAL A 129 -7.704 2.191 -1.831 1.00 0.00 C ATOM 71 O VAL A 129 -7.867 3.405 -1.708 1.00 0.00 O ATOM 72 CB VAL A 129 -5.726 1.251 -0.631 1.00 0.00 C ATOM 73 CG1 VAL A 129 -6.552 0.158 0.031 1.00 0.00 C ATOM 74 CG2 VAL A 129 -4.270 0.827 -0.752 1.00 0.00 C ATOM 0 H VAL A 129 -5.173 3.358 -2.200 1.00 0.00 H new ATOM 0 HA VAL A 129 -6.372 0.697 -2.612 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.768 2.141 -0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -6.126 -0.080 1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -7.578 0.503 0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.544 -0.734 -0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -3.879 0.582 0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -4.198 -0.048 -1.398 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -3.688 1.643 -1.180 1.00 0.00 H new ATOM 84 N ASP A 130 -8.708 1.321 -1.815 1.00 0.00 N ATOM 85 CA ASP A 130 -10.090 1.754 -1.648 1.00 0.00 C ATOM 86 C ASP A 130 -10.354 2.202 -0.214 1.00 0.00 C ATOM 87 O ASP A 130 -9.792 1.649 0.732 1.00 0.00 O ATOM 88 CB ASP A 130 -11.049 0.623 -2.025 1.00 0.00 C ATOM 89 CG ASP A 130 -12.339 1.137 -2.634 1.00 0.00 C ATOM 90 OD1 ASP A 130 -12.283 1.728 -3.733 1.00 0.00 O ATOM 91 OD2 ASP A 130 -13.406 0.946 -2.013 1.00 0.00 O ATOM 0 H ASP A 130 -8.591 0.313 -1.916 1.00 0.00 H new ATOM 0 HA ASP A 130 -10.259 2.603 -2.310 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -10.558 -0.045 -2.732 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -11.279 0.034 -1.137 1.00 0.00 H new ATOM 96 N ASN A 131 -11.212 3.205 -0.061 1.00 0.00 N ATOM 97 CA ASN A 131 -11.553 3.729 1.256 1.00 0.00 C ATOM 98 C ASN A 131 -10.325 4.313 1.949 1.00 0.00 C ATOM 99 O ASN A 131 -10.223 4.288 3.175 1.00 0.00 O ATOM 100 CB ASN A 131 -12.168 2.629 2.123 1.00 0.00 C ATOM 101 CG ASN A 131 -13.481 2.117 1.562 1.00 0.00 C ATOM 102 OD1 ASN A 131 -14.432 2.878 1.385 1.00 0.00 O ATOM 103 ND2 ASN A 131 -13.538 0.821 1.279 1.00 0.00 N ATOM 0 H ASN A 131 -11.685 3.672 -0.835 1.00 0.00 H new ATOM 0 HA ASN A 131 -12.283 4.527 1.121 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -11.464 1.801 2.207 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -12.331 3.013 3.130 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -14.395 0.419 0.899 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -12.725 0.227 1.442 1.00 0.00 H new ATOM 110 N CYS A 132 -9.396 4.842 1.156 1.00 0.00 N ATOM 111 CA CYS A 132 -8.178 5.434 1.699 1.00 0.00 C ATOM 112 C CYS A 132 -7.742 6.637 0.870 1.00 0.00 C ATOM 113 O CYS A 132 -7.226 6.487 -0.238 1.00 0.00 O ATOM 114 CB CYS A 132 -7.054 4.397 1.746 1.00 0.00 C ATOM 115 SG CYS A 132 -5.623 4.913 2.724 1.00 0.00 S ATOM 0 H CYS A 132 -9.464 4.872 0.139 1.00 0.00 H new ATOM 0 HA CYS A 132 -8.391 5.771 2.713 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -7.447 3.467 2.158 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -6.728 4.182 0.728 1.00 0.00 H new ATOM 120 N GLY A 133 -7.951 7.831 1.415 1.00 0.00 N ATOM 121 CA GLY A 133 -7.571 9.044 0.714 1.00 0.00 C ATOM 122 C GLY A 133 -6.256 9.610 1.211 1.00 0.00 C ATOM 123 O GLY A 133 -6.072 10.827 1.246 1.00 0.00 O ATOM 0 H GLY A 133 -8.377 7.980 2.330 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -7.493 8.835 -0.353 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -8.355 9.792 0.836 1.00 0.00 H new ATOM 127 N ALA A 134 -5.344 8.727 1.598 1.00 0.00 N ATOM 128 CA ALA A 134 -4.039 9.144 2.100 1.00 0.00 C ATOM 129 C ALA A 134 -3.287 9.964 1.057 1.00 0.00 C ATOM 130 O ALA A 134 -3.343 9.670 -0.138 1.00 0.00 O ATOM 131 CB ALA A 134 -3.219 7.929 2.509 1.00 0.00 C ATOM 0 H ALA A 134 -5.483 7.717 1.574 1.00 0.00 H new ATOM 0 HA ALA A 134 -4.198 9.774 2.975 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -2.248 8.254 2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -3.744 7.383 3.293 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -3.077 7.278 1.646 1.00 0.00 H new ATOM 137 N ASP A 135 -2.583 10.992 1.516 1.00 0.00 N ATOM 138 CA ASP A 135 -1.819 11.856 0.625 1.00 0.00 C ATOM 139 C ASP A 135 -0.328 11.551 0.718 1.00 0.00 C ATOM 140 O ASP A 135 0.276 11.673 1.784 1.00 0.00 O ATOM 141 CB ASP A 135 -2.074 13.326 0.962 1.00 0.00 C ATOM 142 CG ASP A 135 -1.519 14.265 -0.091 1.00 0.00 C ATOM 143 OD1 ASP A 135 -1.721 13.995 -1.293 1.00 0.00 O ATOM 144 OD2 ASP A 135 -0.881 15.271 0.287 1.00 0.00 O ATOM 0 H ASP A 135 -2.526 11.248 2.502 1.00 0.00 H new ATOM 0 HA ASP A 135 -2.147 11.664 -0.396 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -3.146 13.492 1.064 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -1.623 13.558 1.926 1.00 0.00 H new ATOM 149 N LEU A 136 0.260 11.155 -0.405 1.00 0.00 N ATOM 150 CA LEU A 136 1.681 10.831 -0.452 1.00 0.00 C ATOM 151 C LEU A 136 2.486 11.998 -1.017 1.00 0.00 C ATOM 152 O LEU A 136 3.183 11.858 -2.020 1.00 0.00 O ATOM 153 CB LEU A 136 1.910 9.576 -1.297 1.00 0.00 C ATOM 154 CG LEU A 136 1.012 8.388 -0.951 1.00 0.00 C ATOM 155 CD1 LEU A 136 1.232 7.248 -1.933 1.00 0.00 C ATOM 156 CD2 LEU A 136 1.268 7.923 0.475 1.00 0.00 C ATOM 0 H LEU A 136 -0.226 11.050 -1.296 1.00 0.00 H new ATOM 0 HA LEU A 136 2.021 10.640 0.566 1.00 0.00 H new ATOM 0 HB2 LEU A 136 1.760 9.831 -2.346 1.00 0.00 H new ATOM 0 HB3 LEU A 136 2.950 9.269 -1.189 1.00 0.00 H new ATOM 0 HG LEU A 136 -0.027 8.709 -1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.584 6.412 -1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 136 0.997 7.586 -2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 136 2.273 6.928 -1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 136 0.620 7.077 0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.310 7.620 0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 136 1.058 8.739 1.167 1.00 0.00 H new ATOM 168 N SER A 137 2.382 13.151 -0.363 1.00 0.00 N ATOM 169 CA SER A 137 3.099 14.342 -0.799 1.00 0.00 C ATOM 170 C SER A 137 4.268 14.645 0.132 1.00 0.00 C ATOM 171 O SER A 137 5.375 14.935 -0.320 1.00 0.00 O ATOM 172 CB SER A 137 2.151 15.543 -0.854 1.00 0.00 C ATOM 173 OG SER A 137 2.817 16.697 -1.336 1.00 0.00 O ATOM 0 H SER A 137 1.808 13.285 0.470 1.00 0.00 H new ATOM 0 HA SER A 137 3.493 14.153 -1.798 1.00 0.00 H new ATOM 0 HB2 SER A 137 1.304 15.312 -1.500 1.00 0.00 H new ATOM 0 HB3 SER A 137 1.750 15.739 0.140 1.00 0.00 H new ATOM 0 HG SER A 137 2.190 17.449 -1.363 1.00 0.00 H new ATOM 179 N LYS A 138 4.013 14.574 1.434 1.00 0.00 N ATOM 180 CA LYS A 138 5.045 14.841 2.431 1.00 0.00 C ATOM 181 C LYS A 138 6.075 13.717 2.462 1.00 0.00 C ATOM 182 O LYS A 138 7.236 13.935 2.812 1.00 0.00 O ATOM 183 CB LYS A 138 4.417 15.009 3.815 1.00 0.00 C ATOM 184 CG LYS A 138 5.264 15.833 4.772 1.00 0.00 C ATOM 185 CD LYS A 138 5.266 15.237 6.171 1.00 0.00 C ATOM 186 CE LYS A 138 6.468 15.706 6.974 1.00 0.00 C ATOM 187 NZ LYS A 138 6.126 15.933 8.404 1.00 0.00 N ATOM 0 H LYS A 138 3.102 14.334 1.824 1.00 0.00 H new ATOM 0 HA LYS A 138 5.550 15.766 2.154 1.00 0.00 H new ATOM 0 HB2 LYS A 138 3.441 15.483 3.707 1.00 0.00 H new ATOM 0 HB3 LYS A 138 4.247 14.024 4.250 1.00 0.00 H new ATOM 0 HG2 LYS A 138 6.286 15.889 4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 138 4.882 16.853 4.811 1.00 0.00 H new ATOM 0 HD2 LYS A 138 4.349 15.518 6.689 1.00 0.00 H new ATOM 0 HD3 LYS A 138 5.274 14.149 6.104 1.00 0.00 H new ATOM 0 HE2 LYS A 138 7.263 14.964 6.904 1.00 0.00 H new ATOM 0 HE3 LYS A 138 6.855 16.629 6.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 6.973 16.252 8.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 5.385 16.660 8.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 5.781 15.046 8.823 1.00 0.00 H new ATOM 201 N VAL A 139 5.646 12.512 2.097 1.00 0.00 N ATOM 202 CA VAL A 139 6.533 11.354 2.084 1.00 0.00 C ATOM 203 C VAL A 139 7.755 11.605 1.205 1.00 0.00 C ATOM 204 O VAL A 139 7.896 12.673 0.610 1.00 0.00 O ATOM 205 CB VAL A 139 5.805 10.093 1.580 1.00 0.00 C ATOM 206 CG1 VAL A 139 4.720 9.675 2.560 1.00 0.00 C ATOM 207 CG2 VAL A 139 5.222 10.330 0.195 1.00 0.00 C ATOM 0 H VAL A 139 4.689 12.313 1.806 1.00 0.00 H new ATOM 0 HA VAL A 139 6.855 11.193 3.113 1.00 0.00 H new ATOM 0 HB VAL A 139 6.529 9.282 1.509 1.00 0.00 H new ATOM 0 HG11 VAL A 139 4.217 8.783 2.187 1.00 0.00 H new ATOM 0 HG12 VAL A 139 5.169 9.460 3.530 1.00 0.00 H new ATOM 0 HG13 VAL A 139 3.995 10.482 2.667 1.00 0.00 H new ATOM 0 HG21 VAL A 139 4.712 9.428 -0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 139 4.511 11.156 0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 139 6.025 10.576 -0.500 1.00 0.00 H new ATOM 217 N LYS A 140 8.636 10.613 1.130 1.00 0.00 N ATOM 218 CA LYS A 140 9.847 10.727 0.326 1.00 0.00 C ATOM 219 C LYS A 140 9.650 10.100 -1.050 1.00 0.00 C ATOM 220 O LYS A 140 9.485 10.804 -2.046 1.00 0.00 O ATOM 221 CB LYS A 140 11.024 10.059 1.042 1.00 0.00 C ATOM 222 CG LYS A 140 11.930 11.041 1.768 1.00 0.00 C ATOM 223 CD LYS A 140 13.220 10.378 2.224 1.00 0.00 C ATOM 224 CE LYS A 140 13.187 10.060 3.709 1.00 0.00 C ATOM 225 NZ LYS A 140 12.199 8.991 4.028 1.00 0.00 N ATOM 0 H LYS A 140 8.534 9.722 1.616 1.00 0.00 H new ATOM 0 HA LYS A 140 10.066 11.786 0.192 1.00 0.00 H new ATOM 0 HB2 LYS A 140 10.639 9.334 1.759 1.00 0.00 H new ATOM 0 HB3 LYS A 140 11.614 9.503 0.313 1.00 0.00 H new ATOM 0 HG2 LYS A 140 12.163 11.878 1.109 1.00 0.00 H new ATOM 0 HG3 LYS A 140 11.406 11.451 2.631 1.00 0.00 H new ATOM 0 HD2 LYS A 140 13.379 9.460 1.658 1.00 0.00 H new ATOM 0 HD3 LYS A 140 14.063 11.035 2.010 1.00 0.00 H new ATOM 0 HE2 LYS A 140 14.179 9.746 4.035 1.00 0.00 H new ATOM 0 HE3 LYS A 140 12.938 10.962 4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 12.291 8.721 5.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 11.237 9.344 3.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 12.379 8.161 3.427 1.00 0.00 H new ATOM 239 N ASP A 141 9.668 8.774 -1.094 1.00 0.00 N ATOM 240 CA ASP A 141 9.492 8.046 -2.346 1.00 0.00 C ATOM 241 C ASP A 141 9.017 6.620 -2.088 1.00 0.00 C ATOM 242 O ASP A 141 8.120 6.122 -2.770 1.00 0.00 O ATOM 243 CB ASP A 141 10.803 8.023 -3.134 1.00 0.00 C ATOM 244 CG ASP A 141 11.134 9.371 -3.746 1.00 0.00 C ATOM 245 OD1 ASP A 141 10.291 9.904 -4.498 1.00 0.00 O ATOM 246 OD2 ASP A 141 12.235 9.893 -3.472 1.00 0.00 O ATOM 0 H ASP A 141 9.803 8.179 -0.276 1.00 0.00 H new ATOM 0 HA ASP A 141 8.731 8.562 -2.931 1.00 0.00 H new ATOM 0 HB2 ASP A 141 11.615 7.717 -2.474 1.00 0.00 H new ATOM 0 HB3 ASP A 141 10.736 7.275 -3.924 1.00 0.00 H new ATOM 251 N TYR A 142 9.624 5.966 -1.100 1.00 0.00 N ATOM 252 CA TYR A 142 9.264 4.594 -0.750 1.00 0.00 C ATOM 253 C TYR A 142 7.751 4.431 -0.631 1.00 0.00 C ATOM 254 O TYR A 142 7.185 3.446 -1.104 1.00 0.00 O ATOM 255 CB TYR A 142 9.935 4.192 0.565 1.00 0.00 C ATOM 256 CG TYR A 142 10.345 2.738 0.618 1.00 0.00 C ATOM 257 CD1 TYR A 142 9.392 1.728 0.656 1.00 0.00 C ATOM 258 CD2 TYR A 142 11.687 2.375 0.632 1.00 0.00 C ATOM 259 CE1 TYR A 142 9.763 0.398 0.704 1.00 0.00 C ATOM 260 CE2 TYR A 142 12.066 1.047 0.682 1.00 0.00 C ATOM 261 CZ TYR A 142 11.100 0.063 0.718 1.00 0.00 C ATOM 262 OH TYR A 142 11.474 -1.260 0.769 1.00 0.00 O ATOM 0 H TYR A 142 10.368 6.365 -0.527 1.00 0.00 H new ATOM 0 HA TYR A 142 9.615 3.941 -1.549 1.00 0.00 H new ATOM 0 HB2 TYR A 142 10.816 4.815 0.718 1.00 0.00 H new ATOM 0 HB3 TYR A 142 9.252 4.398 1.389 1.00 0.00 H new ATOM 0 HD1 TYR A 142 8.343 1.987 0.648 1.00 0.00 H new ATOM 0 HD2 TYR A 142 12.446 3.143 0.603 1.00 0.00 H new ATOM 0 HE1 TYR A 142 9.009 -0.375 0.730 1.00 0.00 H new ATOM 0 HE2 TYR A 142 13.113 0.781 0.693 1.00 0.00 H new ATOM 0 HH TYR A 142 12.452 -1.324 0.771 1.00 0.00 H new ATOM 272 N HIS A 143 7.103 5.403 0.002 1.00 0.00 N ATOM 273 CA HIS A 143 5.656 5.368 0.181 1.00 0.00 C ATOM 274 C HIS A 143 4.969 6.364 -0.747 1.00 0.00 C ATOM 275 O HIS A 143 4.015 7.037 -0.356 1.00 0.00 O ATOM 276 CB HIS A 143 5.294 5.671 1.636 1.00 0.00 C ATOM 277 CG HIS A 143 5.740 4.612 2.596 1.00 0.00 C ATOM 278 ND1 HIS A 143 6.292 4.896 3.828 1.00 0.00 N ATOM 279 CD2 HIS A 143 5.710 3.262 2.503 1.00 0.00 C ATOM 280 CE1 HIS A 143 6.584 3.767 4.449 1.00 0.00 C ATOM 281 NE2 HIS A 143 6.240 2.761 3.666 1.00 0.00 N ATOM 0 H HIS A 143 7.557 6.225 0.400 1.00 0.00 H new ATOM 0 HA HIS A 143 5.307 4.366 -0.071 1.00 0.00 H new ATOM 0 HB2 HIS A 143 5.742 6.622 1.923 1.00 0.00 H new ATOM 0 HB3 HIS A 143 4.214 5.791 1.716 1.00 0.00 H new ATOM 0 HD1 HIS A 143 6.450 5.832 4.201 1.00 0.00 H new ATOM 0 HD2 HIS A 143 5.338 2.686 1.669 1.00 0.00 H new ATOM 0 HE1 HIS A 143 7.028 3.682 5.430 1.00 0.00 H new ATOM 289 N ARG A 144 5.461 6.454 -1.978 1.00 0.00 N ATOM 290 CA ARG A 144 4.894 7.368 -2.963 1.00 0.00 C ATOM 291 C ARG A 144 4.908 6.745 -4.355 1.00 0.00 C ATOM 292 O ARG A 144 3.899 6.755 -5.061 1.00 0.00 O ATOM 293 CB ARG A 144 5.673 8.685 -2.973 1.00 0.00 C ATOM 294 CG ARG A 144 4.797 9.909 -3.197 1.00 0.00 C ATOM 295 CD ARG A 144 5.033 10.528 -4.566 1.00 0.00 C ATOM 296 NE ARG A 144 5.580 11.879 -4.469 1.00 0.00 N ATOM 297 CZ ARG A 144 5.715 12.701 -5.507 1.00 0.00 C ATOM 298 NH1 ARG A 144 5.345 12.314 -6.722 1.00 0.00 N ATOM 299 NH2 ARG A 144 6.221 13.914 -5.330 1.00 0.00 N ATOM 0 H ARG A 144 6.251 5.905 -2.317 1.00 0.00 H new ATOM 0 HA ARG A 144 3.859 7.567 -2.685 1.00 0.00 H new ATOM 0 HB2 ARG A 144 6.199 8.794 -2.024 1.00 0.00 H new ATOM 0 HB3 ARG A 144 6.431 8.643 -3.755 1.00 0.00 H new ATOM 0 HG2 ARG A 144 3.748 9.628 -3.101 1.00 0.00 H new ATOM 0 HG3 ARG A 144 5.001 10.649 -2.423 1.00 0.00 H new ATOM 0 HD2 ARG A 144 5.718 9.899 -5.135 1.00 0.00 H new ATOM 0 HD3 ARG A 144 4.094 10.556 -5.118 1.00 0.00 H new ATOM 0 HE ARG A 144 5.876 12.212 -3.551 1.00 0.00 H new ATOM 0 HH11 ARG A 144 4.955 11.382 -6.864 1.00 0.00 H new ATOM 0 HH12 ARG A 144 5.451 12.948 -7.514 1.00 0.00 H new ATOM 0 HH21 ARG A 144 6.507 14.217 -4.399 1.00 0.00 H new ATOM 0 HH22 ARG A 144 6.325 14.544 -6.125 1.00 0.00 H new ATOM 313 N ARG A 145 6.058 6.204 -4.743 1.00 0.00 N ATOM 314 CA ARG A 145 6.205 5.577 -6.052 1.00 0.00 C ATOM 315 C ARG A 145 5.286 4.365 -6.181 1.00 0.00 C ATOM 316 O ARG A 145 4.805 4.053 -7.271 1.00 0.00 O ATOM 317 CB ARG A 145 7.658 5.154 -6.278 1.00 0.00 C ATOM 318 CG ARG A 145 8.069 5.145 -7.739 1.00 0.00 C ATOM 319 CD ARG A 145 9.442 4.521 -7.926 1.00 0.00 C ATOM 320 NE ARG A 145 9.419 3.075 -7.714 1.00 0.00 N ATOM 321 CZ ARG A 145 10.503 2.349 -7.445 1.00 0.00 C ATOM 322 NH1 ARG A 145 11.694 2.926 -7.355 1.00 0.00 N ATOM 323 NH2 ARG A 145 10.392 1.040 -7.263 1.00 0.00 N ATOM 0 H ARG A 145 6.902 6.187 -4.170 1.00 0.00 H new ATOM 0 HA ARG A 145 5.924 6.308 -6.810 1.00 0.00 H new ATOM 0 HB2 ARG A 145 8.314 5.830 -5.729 1.00 0.00 H new ATOM 0 HB3 ARG A 145 7.806 4.158 -5.862 1.00 0.00 H new ATOM 0 HG2 ARG A 145 7.333 4.591 -8.322 1.00 0.00 H new ATOM 0 HG3 ARG A 145 8.076 6.165 -8.123 1.00 0.00 H new ATOM 0 HD2 ARG A 145 9.803 4.734 -8.932 1.00 0.00 H new ATOM 0 HD3 ARG A 145 10.146 4.978 -7.231 1.00 0.00 H new ATOM 0 HE ARG A 145 8.521 2.594 -7.776 1.00 0.00 H new ATOM 0 HH11 ARG A 145 11.785 3.933 -7.492 1.00 0.00 H new ATOM 0 HH12 ARG A 145 12.519 2.363 -7.149 1.00 0.00 H new ATOM 0 HH21 ARG A 145 9.478 0.592 -7.329 1.00 0.00 H new ATOM 0 HH22 ARG A 145 11.220 0.482 -7.057 1.00 0.00 H new ATOM 337 N HIS A 146 5.046 3.687 -5.064 1.00 0.00 N ATOM 338 CA HIS A 146 4.186 2.509 -5.053 1.00 0.00 C ATOM 339 C HIS A 146 2.709 2.897 -4.941 1.00 0.00 C ATOM 340 O HIS A 146 1.832 2.036 -4.976 1.00 0.00 O ATOM 341 CB HIS A 146 4.569 1.585 -3.897 1.00 0.00 C ATOM 342 CG HIS A 146 5.940 0.999 -4.028 1.00 0.00 C ATOM 343 ND1 HIS A 146 6.736 0.698 -2.944 1.00 0.00 N ATOM 344 CD2 HIS A 146 6.657 0.659 -5.125 1.00 0.00 C ATOM 345 CE1 HIS A 146 7.883 0.197 -3.368 1.00 0.00 C ATOM 346 NE2 HIS A 146 7.861 0.163 -4.687 1.00 0.00 N ATOM 0 H HIS A 146 5.435 3.933 -4.154 1.00 0.00 H new ATOM 0 HA HIS A 146 4.329 1.984 -5.998 1.00 0.00 H new ATOM 0 HB2 HIS A 146 4.509 2.142 -2.962 1.00 0.00 H new ATOM 0 HB3 HIS A 146 3.842 0.776 -3.833 1.00 0.00 H new ATOM 0 HD2 HIS A 146 6.341 0.759 -6.153 1.00 0.00 H new ATOM 0 HE1 HIS A 146 8.700 -0.129 -2.741 1.00 0.00 H new ATOM 0 HE2 HIS A 146 8.615 -0.176 -5.284 1.00 0.00 H new ATOM 354 N LYS A 147 2.442 4.194 -4.807 1.00 0.00 N ATOM 355 CA LYS A 147 1.072 4.683 -4.692 1.00 0.00 C ATOM 356 C LYS A 147 0.385 4.109 -3.456 1.00 0.00 C ATOM 357 O LYS A 147 -0.836 3.957 -3.429 1.00 0.00 O ATOM 358 CB LYS A 147 0.273 4.324 -5.947 1.00 0.00 C ATOM 359 CG LYS A 147 0.514 5.268 -7.114 1.00 0.00 C ATOM 360 CD LYS A 147 0.620 4.513 -8.430 1.00 0.00 C ATOM 361 CE LYS A 147 2.005 3.915 -8.621 1.00 0.00 C ATOM 362 NZ LYS A 147 2.021 2.451 -8.352 1.00 0.00 N ATOM 0 H LYS A 147 3.155 4.923 -4.776 1.00 0.00 H new ATOM 0 HA LYS A 147 1.110 5.768 -4.590 1.00 0.00 H new ATOM 0 HB2 LYS A 147 0.529 3.310 -6.253 1.00 0.00 H new ATOM 0 HB3 LYS A 147 -0.789 4.325 -5.704 1.00 0.00 H new ATOM 0 HG2 LYS A 147 -0.300 5.991 -7.173 1.00 0.00 H new ATOM 0 HG3 LYS A 147 1.430 5.833 -6.943 1.00 0.00 H new ATOM 0 HD2 LYS A 147 -0.127 3.719 -8.456 1.00 0.00 H new ATOM 0 HD3 LYS A 147 0.397 5.188 -9.256 1.00 0.00 H new ATOM 0 HE2 LYS A 147 2.343 4.100 -9.641 1.00 0.00 H new ATOM 0 HE3 LYS A 147 2.710 4.414 -7.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 2.754 2.236 -7.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 1.093 2.155 -7.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 2.227 1.938 -9.233 1.00 0.00 H new ATOM 376 N VAL A 148 1.175 3.793 -2.436 1.00 0.00 N ATOM 377 CA VAL A 148 0.639 3.237 -1.199 1.00 0.00 C ATOM 378 C VAL A 148 1.136 4.020 0.013 1.00 0.00 C ATOM 379 O VAL A 148 2.286 4.460 0.051 1.00 0.00 O ATOM 380 CB VAL A 148 1.019 1.753 -1.036 1.00 0.00 C ATOM 381 CG1 VAL A 148 2.529 1.589 -0.949 1.00 0.00 C ATOM 382 CG2 VAL A 148 0.338 1.156 0.186 1.00 0.00 C ATOM 0 H VAL A 148 2.188 3.912 -2.441 1.00 0.00 H new ATOM 0 HA VAL A 148 -0.446 3.317 -1.259 1.00 0.00 H new ATOM 0 HB VAL A 148 0.671 1.213 -1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 148 2.774 0.533 -0.834 1.00 0.00 H new ATOM 0 HG12 VAL A 148 2.990 1.972 -1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 148 2.906 2.145 -0.091 1.00 0.00 H new ATOM 0 HG21 VAL A 148 0.619 0.107 0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 148 0.649 1.700 1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -0.743 1.233 0.074 1.00 0.00 H new ATOM 392 N CYS A 149 0.265 4.189 1.001 1.00 0.00 N ATOM 393 CA CYS A 149 0.618 4.920 2.211 1.00 0.00 C ATOM 394 C CYS A 149 1.339 4.011 3.205 1.00 0.00 C ATOM 395 O CYS A 149 1.696 2.878 2.878 1.00 0.00 O ATOM 396 CB CYS A 149 -0.634 5.524 2.855 1.00 0.00 C ATOM 397 SG CYS A 149 -1.746 4.313 3.611 1.00 0.00 S ATOM 0 H CYS A 149 -0.690 3.830 0.988 1.00 0.00 H new ATOM 0 HA CYS A 149 1.294 5.729 1.934 1.00 0.00 H new ATOM 0 HB2 CYS A 149 -0.326 6.241 3.616 1.00 0.00 H new ATOM 0 HB3 CYS A 149 -1.185 6.081 2.097 1.00 0.00 H new ATOM 402 N GLU A 150 1.556 4.515 4.415 1.00 0.00 N ATOM 403 CA GLU A 150 2.238 3.749 5.452 1.00 0.00 C ATOM 404 C GLU A 150 1.317 2.684 6.042 1.00 0.00 C ATOM 405 O GLU A 150 1.767 1.605 6.427 1.00 0.00 O ATOM 406 CB GLU A 150 2.737 4.679 6.558 1.00 0.00 C ATOM 407 CG GLU A 150 4.149 5.193 6.331 1.00 0.00 C ATOM 408 CD GLU A 150 4.368 6.576 6.915 1.00 0.00 C ATOM 409 OE1 GLU A 150 3.848 7.553 6.339 1.00 0.00 O ATOM 410 OE2 GLU A 150 5.059 6.680 7.950 1.00 0.00 O ATOM 0 H GLU A 150 1.269 5.451 4.702 1.00 0.00 H new ATOM 0 HA GLU A 150 3.092 3.249 4.995 1.00 0.00 H new ATOM 0 HB2 GLU A 150 2.059 5.529 6.640 1.00 0.00 H new ATOM 0 HB3 GLU A 150 2.701 4.149 7.510 1.00 0.00 H new ATOM 0 HG2 GLU A 150 4.861 4.498 6.776 1.00 0.00 H new ATOM 0 HG3 GLU A 150 4.355 5.218 5.261 1.00 0.00 H new ATOM 417 N ILE A 151 0.027 2.996 6.112 1.00 0.00 N ATOM 418 CA ILE A 151 -0.955 2.067 6.658 1.00 0.00 C ATOM 419 C ILE A 151 -1.022 0.783 5.833 1.00 0.00 C ATOM 420 O ILE A 151 -1.091 -0.315 6.385 1.00 0.00 O ATOM 421 CB ILE A 151 -2.359 2.702 6.715 1.00 0.00 C ATOM 422 CG1 ILE A 151 -2.324 3.995 7.532 1.00 0.00 C ATOM 423 CG2 ILE A 151 -3.366 1.724 7.303 1.00 0.00 C ATOM 424 CD1 ILE A 151 -1.811 3.805 8.943 1.00 0.00 C ATOM 0 H ILE A 151 -0.362 3.885 5.797 1.00 0.00 H new ATOM 0 HA ILE A 151 -0.631 1.826 7.671 1.00 0.00 H new ATOM 0 HB ILE A 151 -2.672 2.943 5.699 1.00 0.00 H new ATOM 0 HG12 ILE A 151 -1.694 4.722 7.020 1.00 0.00 H new ATOM 0 HG13 ILE A 151 -3.328 4.417 7.573 1.00 0.00 H new ATOM 0 HG21 ILE A 151 -4.351 2.191 7.335 1.00 0.00 H new ATOM 0 HG22 ILE A 151 -3.409 0.829 6.683 1.00 0.00 H new ATOM 0 HG23 ILE A 151 -3.061 1.451 8.313 1.00 0.00 H new ATOM 0 HD11 ILE A 151 -1.814 4.763 9.463 1.00 0.00 H new ATOM 0 HD12 ILE A 151 -2.455 3.103 9.473 1.00 0.00 H new ATOM 0 HD13 ILE A 151 -0.795 3.413 8.911 1.00 0.00 H new ATOM 436 N HIS A 152 -1.004 0.930 4.513 1.00 0.00 N ATOM 437 CA HIS A 152 -1.066 -0.218 3.618 1.00 0.00 C ATOM 438 C HIS A 152 0.331 -0.654 3.182 1.00 0.00 C ATOM 439 O HIS A 152 0.500 -1.240 2.112 1.00 0.00 O ATOM 440 CB HIS A 152 -1.917 0.110 2.391 1.00 0.00 C ATOM 441 CG HIS A 152 -3.368 0.312 2.704 1.00 0.00 C ATOM 442 ND1 HIS A 152 -3.992 1.539 2.631 1.00 0.00 N ATOM 443 CD2 HIS A 152 -4.321 -0.567 3.096 1.00 0.00 C ATOM 444 CE1 HIS A 152 -5.263 1.409 2.964 1.00 0.00 C ATOM 445 NE2 HIS A 152 -5.489 0.140 3.251 1.00 0.00 N ATOM 0 H HIS A 152 -0.947 1.832 4.040 1.00 0.00 H new ATOM 0 HA HIS A 152 -1.527 -1.042 4.163 1.00 0.00 H new ATOM 0 HB2 HIS A 152 -1.527 1.012 1.919 1.00 0.00 H new ATOM 0 HB3 HIS A 152 -1.819 -0.697 1.665 1.00 0.00 H new ATOM 0 HD2 HIS A 152 -4.188 -1.627 3.257 1.00 0.00 H new ATOM 0 HE1 HIS A 152 -5.993 2.204 2.996 1.00 0.00 H new ATOM 0 HE2 HIS A 152 -6.385 -0.252 3.541 1.00 0.00 H new ATOM 452 N SER A 153 1.326 -0.368 4.015 1.00 0.00 N ATOM 453 CA SER A 153 2.705 -0.735 3.711 1.00 0.00 C ATOM 454 C SER A 153 3.141 -1.936 4.546 1.00 0.00 C ATOM 455 O SER A 153 3.954 -2.749 4.105 1.00 0.00 O ATOM 456 CB SER A 153 3.638 0.448 3.971 1.00 0.00 C ATOM 457 OG SER A 153 4.972 0.134 3.611 1.00 0.00 O ATOM 0 H SER A 153 1.204 0.116 4.905 1.00 0.00 H new ATOM 0 HA SER A 153 2.761 -1.007 2.657 1.00 0.00 H new ATOM 0 HB2 SER A 153 3.299 1.314 3.403 1.00 0.00 H new ATOM 0 HB3 SER A 153 3.597 0.722 5.025 1.00 0.00 H new ATOM 0 HG SER A 153 5.508 0.954 3.593 1.00 0.00 H new ATOM 463 N LYS A 154 2.592 -2.041 5.752 1.00 0.00 N ATOM 464 CA LYS A 154 2.921 -3.141 6.649 1.00 0.00 C ATOM 465 C LYS A 154 1.661 -3.703 7.304 1.00 0.00 C ATOM 466 O LYS A 154 1.706 -4.214 8.425 1.00 0.00 O ATOM 467 CB LYS A 154 3.909 -2.676 7.723 1.00 0.00 C ATOM 468 CG LYS A 154 5.343 -3.100 7.454 1.00 0.00 C ATOM 469 CD LYS A 154 6.040 -3.550 8.729 1.00 0.00 C ATOM 470 CE LYS A 154 7.177 -4.516 8.434 1.00 0.00 C ATOM 471 NZ LYS A 154 8.449 -4.090 9.084 1.00 0.00 N ATOM 0 H LYS A 154 1.917 -1.377 6.130 1.00 0.00 H new ATOM 0 HA LYS A 154 3.386 -3.932 6.060 1.00 0.00 H new ATOM 0 HB2 LYS A 154 3.868 -1.589 7.797 1.00 0.00 H new ATOM 0 HB3 LYS A 154 3.597 -3.073 8.689 1.00 0.00 H new ATOM 0 HG2 LYS A 154 5.353 -3.912 6.727 1.00 0.00 H new ATOM 0 HG3 LYS A 154 5.892 -2.269 7.012 1.00 0.00 H new ATOM 0 HD2 LYS A 154 6.429 -2.680 9.258 1.00 0.00 H new ATOM 0 HD3 LYS A 154 5.317 -4.029 9.390 1.00 0.00 H new ATOM 0 HE2 LYS A 154 6.907 -5.513 8.783 1.00 0.00 H new ATOM 0 HE3 LYS A 154 7.325 -4.585 7.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 9.200 -4.774 8.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 8.721 -3.150 8.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 8.315 -4.049 10.115 1.00 0.00 H new ATOM 485 N ALA A 155 0.538 -3.604 6.600 1.00 0.00 N ATOM 486 CA ALA A 155 -0.733 -4.099 7.114 1.00 0.00 C ATOM 487 C ALA A 155 -0.977 -5.542 6.678 1.00 0.00 C ATOM 488 O ALA A 155 -0.387 -6.013 5.705 1.00 0.00 O ATOM 489 CB ALA A 155 -1.874 -3.207 6.650 1.00 0.00 C ATOM 0 H ALA A 155 0.483 -3.185 5.672 1.00 0.00 H new ATOM 0 HA ALA A 155 -0.689 -4.077 8.203 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -2.817 -3.589 7.042 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -1.714 -2.192 7.015 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -1.910 -3.199 5.561 1.00 0.00 H new ATOM 495 N THR A 156 -1.849 -6.234 7.403 1.00 0.00 N ATOM 496 CA THR A 156 -2.171 -7.620 7.088 1.00 0.00 C ATOM 497 C THR A 156 -3.452 -7.718 6.265 1.00 0.00 C ATOM 498 O THR A 156 -4.126 -8.748 6.268 1.00 0.00 O ATOM 499 CB THR A 156 -2.335 -8.462 8.367 1.00 0.00 C ATOM 500 OG1 THR A 156 -3.249 -7.820 9.264 1.00 0.00 O ATOM 501 CG2 THR A 156 -0.995 -8.661 9.060 1.00 0.00 C ATOM 0 H THR A 156 -2.345 -5.858 8.211 1.00 0.00 H new ATOM 0 HA THR A 156 -1.337 -8.011 6.505 1.00 0.00 H new ATOM 0 HB THR A 156 -2.729 -9.438 8.083 1.00 0.00 H new ATOM 0 HG1 THR A 156 -3.349 -8.363 10.074 1.00 0.00 H new ATOM 0 HG21 THR A 156 -1.136 -9.259 9.961 1.00 0.00 H new ATOM 0 HG22 THR A 156 -0.310 -9.176 8.387 1.00 0.00 H new ATOM 0 HG23 THR A 156 -0.577 -7.691 9.330 1.00 0.00 H new ATOM 509 N THR A 157 -3.783 -6.639 5.560 1.00 0.00 N ATOM 510 CA THR A 157 -4.981 -6.604 4.733 1.00 0.00 C ATOM 511 C THR A 157 -5.113 -5.263 4.016 1.00 0.00 C ATOM 512 O THR A 157 -4.917 -4.206 4.614 1.00 0.00 O ATOM 513 CB THR A 157 -6.254 -6.856 5.568 1.00 0.00 C ATOM 514 OG1 THR A 157 -6.009 -6.538 6.944 1.00 0.00 O ATOM 515 CG2 THR A 157 -6.705 -8.306 5.445 1.00 0.00 C ATOM 0 H THR A 157 -3.236 -5.778 5.546 1.00 0.00 H new ATOM 0 HA THR A 157 -4.879 -7.401 3.996 1.00 0.00 H new ATOM 0 HB THR A 157 -7.047 -6.214 5.185 1.00 0.00 H new ATOM 0 HG1 THR A 157 -6.822 -6.699 7.467 1.00 0.00 H new ATOM 0 HG21 THR A 157 -7.604 -8.459 6.042 1.00 0.00 H new ATOM 0 HG22 THR A 157 -6.920 -8.533 4.401 1.00 0.00 H new ATOM 0 HG23 THR A 157 -5.914 -8.965 5.804 1.00 0.00 H new ATOM 523 N ALA A 158 -5.448 -5.316 2.732 1.00 0.00 N ATOM 524 CA ALA A 158 -5.607 -4.106 1.932 1.00 0.00 C ATOM 525 C ALA A 158 -6.619 -4.319 0.813 1.00 0.00 C ATOM 526 O ALA A 158 -6.597 -5.340 0.128 1.00 0.00 O ATOM 527 CB ALA A 158 -4.264 -3.673 1.362 1.00 0.00 C ATOM 0 H ALA A 158 -5.615 -6.184 2.222 1.00 0.00 H new ATOM 0 HA ALA A 158 -5.985 -3.315 2.580 1.00 0.00 H new ATOM 0 HB1 ALA A 158 -4.396 -2.769 0.767 1.00 0.00 H new ATOM 0 HB2 ALA A 158 -3.570 -3.472 2.178 1.00 0.00 H new ATOM 0 HB3 ALA A 158 -3.863 -4.467 0.732 1.00 0.00 H new ATOM 533 N LEU A 159 -7.507 -3.347 0.632 1.00 0.00 N ATOM 534 CA LEU A 159 -8.529 -3.429 -0.404 1.00 0.00 C ATOM 535 C LEU A 159 -8.190 -2.517 -1.580 1.00 0.00 C ATOM 536 O LEU A 159 -8.407 -1.307 -1.523 1.00 0.00 O ATOM 537 CB LEU A 159 -9.898 -3.054 0.168 1.00 0.00 C ATOM 538 CG LEU A 159 -11.091 -3.719 -0.516 1.00 0.00 C ATOM 539 CD1 LEU A 159 -11.126 -3.364 -1.994 1.00 0.00 C ATOM 540 CD2 LEU A 159 -11.038 -5.228 -0.329 1.00 0.00 C ATOM 0 H LEU A 159 -7.539 -2.493 1.190 1.00 0.00 H new ATOM 0 HA LEU A 159 -8.562 -4.458 -0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -9.915 -3.313 1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -10.018 -1.973 0.102 1.00 0.00 H new ATOM 0 HG LEU A 159 -12.005 -3.347 -0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -11.983 -3.847 -2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -11.212 -2.283 -2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -10.209 -3.707 -2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -11.895 -5.686 -0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -10.118 -5.617 -0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -11.063 -5.464 0.735 1.00 0.00 H new ATOM 552 N VAL A 160 -7.659 -3.108 -2.645 1.00 0.00 N ATOM 553 CA VAL A 160 -7.290 -2.350 -3.836 1.00 0.00 C ATOM 554 C VAL A 160 -7.912 -2.963 -5.089 1.00 0.00 C ATOM 555 O VAL A 160 -7.842 -4.172 -5.300 1.00 0.00 O ATOM 556 CB VAL A 160 -5.761 -2.286 -4.012 1.00 0.00 C ATOM 557 CG1 VAL A 160 -5.392 -1.386 -5.183 1.00 0.00 C ATOM 558 CG2 VAL A 160 -5.096 -1.806 -2.731 1.00 0.00 C ATOM 0 H VAL A 160 -7.474 -4.109 -2.708 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.672 -1.338 -3.700 1.00 0.00 H new ATOM 0 HB VAL A 160 -5.398 -3.290 -4.229 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -4.308 -1.354 -5.290 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -5.836 -1.779 -6.098 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -5.768 -0.379 -5.001 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -4.016 -1.767 -2.874 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -5.465 -0.811 -2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -5.330 -2.495 -1.919 1.00 0.00 H new ATOM 568 N GLY A 161 -8.519 -2.117 -5.914 1.00 0.00 N ATOM 569 CA GLY A 161 -9.142 -2.592 -7.135 1.00 0.00 C ATOM 570 C GLY A 161 -10.283 -3.555 -6.868 1.00 0.00 C ATOM 571 O GLY A 161 -10.574 -4.425 -7.688 1.00 0.00 O ATOM 0 H GLY A 161 -8.591 -1.111 -5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -9.515 -1.740 -7.704 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -8.392 -3.085 -7.754 1.00 0.00 H new ATOM 575 N GLY A 162 -10.928 -3.399 -5.718 1.00 0.00 N ATOM 576 CA GLY A 162 -12.036 -4.269 -5.365 1.00 0.00 C ATOM 577 C GLY A 162 -11.583 -5.669 -5.005 1.00 0.00 C ATOM 578 O GLY A 162 -12.305 -6.640 -5.229 1.00 0.00 O ATOM 0 H GLY A 162 -10.704 -2.686 -5.023 1.00 0.00 H new ATOM 0 HA2 GLY A 162 -12.578 -3.838 -4.523 1.00 0.00 H new ATOM 0 HA3 GLY A 162 -12.734 -4.320 -6.201 1.00 0.00 H new ATOM 582 N ILE A 163 -10.383 -5.774 -4.444 1.00 0.00 N ATOM 583 CA ILE A 163 -9.833 -7.066 -4.052 1.00 0.00 C ATOM 584 C ILE A 163 -8.941 -6.933 -2.821 1.00 0.00 C ATOM 585 O ILE A 163 -8.448 -5.846 -2.514 1.00 0.00 O ATOM 586 CB ILE A 163 -9.018 -7.701 -5.194 1.00 0.00 C ATOM 587 CG1 ILE A 163 -9.805 -7.647 -6.505 1.00 0.00 C ATOM 588 CG2 ILE A 163 -8.650 -9.136 -4.848 1.00 0.00 C ATOM 589 CD1 ILE A 163 -9.049 -8.213 -7.687 1.00 0.00 C ATOM 0 H ILE A 163 -9.773 -4.980 -4.251 1.00 0.00 H new ATOM 0 HA ILE A 163 -10.680 -7.711 -3.818 1.00 0.00 H new ATOM 0 HB ILE A 163 -8.097 -7.132 -5.323 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -10.737 -8.198 -6.383 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -10.072 -6.612 -6.717 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -8.074 -9.571 -5.665 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -8.053 -9.149 -3.936 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -9.559 -9.718 -4.695 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -9.667 -8.142 -8.582 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -8.129 -7.647 -7.836 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -8.805 -9.258 -7.496 1.00 0.00 H new ATOM 601 N MET A 164 -8.738 -8.042 -2.121 1.00 0.00 N ATOM 602 CA MET A 164 -7.904 -8.051 -0.925 1.00 0.00 C ATOM 603 C MET A 164 -6.469 -8.433 -1.268 1.00 0.00 C ATOM 604 O MET A 164 -6.231 -9.390 -2.006 1.00 0.00 O ATOM 605 CB MET A 164 -8.470 -9.022 0.113 1.00 0.00 C ATOM 606 CG MET A 164 -9.431 -8.371 1.095 1.00 0.00 C ATOM 607 SD MET A 164 -8.647 -7.078 2.078 1.00 0.00 S ATOM 608 CE MET A 164 -10.011 -6.575 3.125 1.00 0.00 C ATOM 0 H MET A 164 -9.140 -8.948 -2.361 1.00 0.00 H new ATOM 0 HA MET A 164 -7.904 -7.045 -0.505 1.00 0.00 H new ATOM 0 HB2 MET A 164 -8.985 -9.833 -0.403 1.00 0.00 H new ATOM 0 HB3 MET A 164 -7.645 -9.470 0.667 1.00 0.00 H new ATOM 0 HG2 MET A 164 -10.272 -7.946 0.547 1.00 0.00 H new ATOM 0 HG3 MET A 164 -9.836 -9.133 1.761 1.00 0.00 H new ATOM 0 HE1 MET A 164 -9.962 -5.499 3.295 1.00 0.00 H new ATOM 0 HE2 MET A 164 -10.954 -6.823 2.638 1.00 0.00 H new ATOM 0 HE3 MET A 164 -9.948 -7.096 4.080 1.00 0.00 H new ATOM 618 N GLN A 165 -5.514 -7.679 -0.731 1.00 0.00 N ATOM 619 CA GLN A 165 -4.102 -7.939 -0.986 1.00 0.00 C ATOM 620 C GLN A 165 -3.238 -7.463 0.178 1.00 0.00 C ATOM 621 O GLN A 165 -3.748 -6.959 1.177 1.00 0.00 O ATOM 622 CB GLN A 165 -3.659 -7.248 -2.277 1.00 0.00 C ATOM 623 CG GLN A 165 -4.202 -5.836 -2.430 1.00 0.00 C ATOM 624 CD GLN A 165 -5.066 -5.672 -3.665 1.00 0.00 C ATOM 625 OE1 GLN A 165 -6.249 -5.344 -3.572 1.00 0.00 O ATOM 626 NE2 GLN A 165 -4.477 -5.900 -4.833 1.00 0.00 N ATOM 0 H GLN A 165 -5.693 -6.884 -0.117 1.00 0.00 H new ATOM 0 HA GLN A 165 -3.973 -9.016 -1.093 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -2.570 -7.214 -2.306 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -3.982 -7.847 -3.129 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -4.786 -5.578 -1.546 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -3.369 -5.134 -2.478 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -3.494 -6.170 -4.864 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -5.008 -5.805 -5.699 1.00 0.00 H new ATOM 635 N ARG A 166 -1.926 -7.629 0.038 1.00 0.00 N ATOM 636 CA ARG A 166 -0.989 -7.217 1.077 1.00 0.00 C ATOM 637 C ARG A 166 0.321 -6.728 0.463 1.00 0.00 C ATOM 638 O ARG A 166 0.854 -7.345 -0.458 1.00 0.00 O ATOM 639 CB ARG A 166 -0.715 -8.377 2.036 1.00 0.00 C ATOM 640 CG ARG A 166 -1.735 -8.490 3.157 1.00 0.00 C ATOM 641 CD ARG A 166 -1.211 -9.344 4.301 1.00 0.00 C ATOM 642 NE ARG A 166 0.061 -8.843 4.820 1.00 0.00 N ATOM 643 CZ ARG A 166 0.857 -9.541 5.626 1.00 0.00 C ATOM 644 NH1 ARG A 166 0.517 -10.764 6.011 1.00 0.00 N ATOM 645 NH2 ARG A 166 1.997 -9.012 6.051 1.00 0.00 N ATOM 0 H ARG A 166 -1.488 -8.045 -0.784 1.00 0.00 H new ATOM 0 HA ARG A 166 -1.439 -6.395 1.633 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -0.702 -9.309 1.472 1.00 0.00 H new ATOM 0 HB3 ARG A 166 0.277 -8.253 2.469 1.00 0.00 H new ATOM 0 HG2 ARG A 166 -1.982 -7.495 3.527 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -2.657 -8.924 2.770 1.00 0.00 H new ATOM 0 HD2 ARG A 166 -1.947 -9.365 5.104 1.00 0.00 H new ATOM 0 HD3 ARG A 166 -1.084 -10.371 3.958 1.00 0.00 H new ATOM 0 HE ARG A 166 0.355 -7.905 4.549 1.00 0.00 H new ATOM 0 HH11 ARG A 166 -0.359 -11.175 5.689 1.00 0.00 H new ATOM 0 HH12 ARG A 166 1.132 -11.294 6.629 1.00 0.00 H new ATOM 0 HH21 ARG A 166 2.262 -8.071 5.760 1.00 0.00 H new ATOM 0 HH22 ARG A 166 2.608 -9.546 6.669 1.00 0.00 H new ATOM 659 N PHE A 167 0.832 -5.616 0.981 1.00 0.00 N ATOM 660 CA PHE A 167 2.079 -5.044 0.484 1.00 0.00 C ATOM 661 C PHE A 167 3.283 -5.703 1.149 1.00 0.00 C ATOM 662 O PHE A 167 3.246 -6.039 2.333 1.00 0.00 O ATOM 663 CB PHE A 167 2.107 -3.535 0.732 1.00 0.00 C ATOM 664 CG PHE A 167 3.295 -2.848 0.117 1.00 0.00 C ATOM 665 CD1 PHE A 167 3.280 -2.470 -1.215 1.00 0.00 C ATOM 666 CD2 PHE A 167 4.425 -2.579 0.875 1.00 0.00 C ATOM 667 CE1 PHE A 167 4.370 -1.838 -1.783 1.00 0.00 C ATOM 668 CE2 PHE A 167 5.518 -1.948 0.313 1.00 0.00 C ATOM 669 CZ PHE A 167 5.491 -1.577 -1.018 1.00 0.00 C ATOM 0 H PHE A 167 0.403 -5.093 1.744 1.00 0.00 H new ATOM 0 HA PHE A 167 2.133 -5.230 -0.589 1.00 0.00 H new ATOM 0 HB2 PHE A 167 1.194 -3.092 0.333 1.00 0.00 H new ATOM 0 HB3 PHE A 167 2.107 -3.351 1.806 1.00 0.00 H new ATOM 0 HD1 PHE A 167 2.406 -2.671 -1.817 1.00 0.00 H new ATOM 0 HD2 PHE A 167 4.451 -2.866 1.916 1.00 0.00 H new ATOM 0 HE1 PHE A 167 4.346 -1.549 -2.823 1.00 0.00 H new ATOM 0 HE2 PHE A 167 6.393 -1.745 0.913 1.00 0.00 H new ATOM 0 HZ PHE A 167 6.344 -1.084 -1.460 1.00 0.00 H new ATOM 679 N CYS A 168 4.351 -5.886 0.377 1.00 0.00 N ATOM 680 CA CYS A 168 5.568 -6.506 0.889 1.00 0.00 C ATOM 681 C CYS A 168 6.790 -5.647 0.578 1.00 0.00 C ATOM 682 O CYS A 168 6.733 -4.756 -0.269 1.00 0.00 O ATOM 683 CB CYS A 168 5.745 -7.902 0.290 1.00 0.00 C ATOM 684 SG CYS A 168 6.443 -9.115 1.434 1.00 0.00 S ATOM 0 H CYS A 168 4.398 -5.614 -0.605 1.00 0.00 H new ATOM 0 HA CYS A 168 5.474 -6.592 1.972 1.00 0.00 H new ATOM 0 HB2 CYS A 168 4.776 -8.262 -0.057 1.00 0.00 H new ATOM 0 HB3 CYS A 168 6.391 -7.831 -0.585 1.00 0.00 H new ATOM 0 HG CYS A 168 6.552 -10.264 0.835 1.00 0.00 H new ATOM 690 N GLN A 169 7.891 -5.923 1.268 1.00 0.00 N ATOM 691 CA GLN A 169 9.127 -5.176 1.065 1.00 0.00 C ATOM 692 C GLN A 169 10.067 -5.923 0.124 1.00 0.00 C ATOM 693 O GLN A 169 10.528 -5.372 -0.876 1.00 0.00 O ATOM 694 CB GLN A 169 9.822 -4.922 2.405 1.00 0.00 C ATOM 695 CG GLN A 169 9.489 -3.571 3.015 1.00 0.00 C ATOM 696 CD GLN A 169 10.585 -3.059 3.931 1.00 0.00 C ATOM 697 OE1 GLN A 169 10.336 -2.725 5.090 1.00 0.00 O ATOM 698 NE2 GLN A 169 11.806 -2.997 3.415 1.00 0.00 N ATOM 0 H GLN A 169 7.953 -6.658 1.972 1.00 0.00 H new ATOM 0 HA GLN A 169 8.872 -4.219 0.610 1.00 0.00 H new ATOM 0 HB2 GLN A 169 9.540 -5.708 3.106 1.00 0.00 H new ATOM 0 HB3 GLN A 169 10.901 -4.992 2.265 1.00 0.00 H new ATOM 0 HG2 GLN A 169 9.320 -2.848 2.217 1.00 0.00 H new ATOM 0 HG3 GLN A 169 8.558 -3.649 3.577 1.00 0.00 H new ATOM 0 HE21 GLN A 169 11.967 -3.284 2.450 1.00 0.00 H new ATOM 0 HE22 GLN A 169 12.584 -2.662 3.984 1.00 0.00 H new ATOM 707 N GLN A 170 10.349 -7.179 0.452 1.00 0.00 N ATOM 708 CA GLN A 170 11.233 -8.003 -0.363 1.00 0.00 C ATOM 709 C GLN A 170 10.646 -8.218 -1.755 1.00 0.00 C ATOM 710 O GLN A 170 11.364 -8.177 -2.755 1.00 0.00 O ATOM 711 CB GLN A 170 11.479 -9.351 0.317 1.00 0.00 C ATOM 712 CG GLN A 170 12.878 -9.497 0.894 1.00 0.00 C ATOM 713 CD GLN A 170 13.954 -9.458 -0.173 1.00 0.00 C ATOM 714 OE1 GLN A 170 14.143 -10.421 -0.917 1.00 0.00 O ATOM 715 NE2 GLN A 170 14.666 -8.339 -0.256 1.00 0.00 N ATOM 0 H GLN A 170 9.978 -7.649 1.278 1.00 0.00 H new ATOM 0 HA GLN A 170 12.184 -7.480 -0.468 1.00 0.00 H new ATOM 0 HB2 GLN A 170 10.750 -9.483 1.116 1.00 0.00 H new ATOM 0 HB3 GLN A 170 11.308 -10.149 -0.405 1.00 0.00 H new ATOM 0 HG2 GLN A 170 13.056 -8.698 1.614 1.00 0.00 H new ATOM 0 HG3 GLN A 170 12.946 -10.438 1.439 1.00 0.00 H new ATOM 0 HE21 GLN A 170 14.476 -7.565 0.381 1.00 0.00 H new ATOM 0 HE22 GLN A 170 15.403 -8.254 -0.956 1.00 0.00 H new ATOM 724 N CYS A 171 9.339 -8.446 -1.812 1.00 0.00 N ATOM 725 CA CYS A 171 8.654 -8.667 -3.080 1.00 0.00 C ATOM 726 C CYS A 171 8.284 -7.341 -3.737 1.00 0.00 C ATOM 727 O CYS A 171 8.240 -7.235 -4.962 1.00 0.00 O ATOM 728 CB CYS A 171 7.399 -9.512 -2.865 1.00 0.00 C ATOM 729 SG CYS A 171 7.698 -11.070 -1.998 1.00 0.00 S ATOM 0 H CYS A 171 8.732 -8.483 -0.993 1.00 0.00 H new ATOM 0 HA CYS A 171 9.334 -9.202 -3.743 1.00 0.00 H new ATOM 0 HB2 CYS A 171 6.673 -8.928 -2.300 1.00 0.00 H new ATOM 0 HB3 CYS A 171 6.949 -9.728 -3.834 1.00 0.00 H new ATOM 0 HG CYS A 171 6.576 -11.713 -1.862 1.00 0.00 H new ATOM 735 N SER A 172 8.018 -6.332 -2.914 1.00 0.00 N ATOM 736 CA SER A 172 7.651 -5.013 -3.415 1.00 0.00 C ATOM 737 C SER A 172 6.366 -5.079 -4.234 1.00 0.00 C ATOM 738 O SER A 172 5.904 -6.162 -4.596 1.00 0.00 O ATOM 739 CB SER A 172 8.782 -4.434 -4.266 1.00 0.00 C ATOM 740 OG SER A 172 8.559 -3.064 -4.548 1.00 0.00 O ATOM 0 H SER A 172 8.050 -6.403 -1.897 1.00 0.00 H new ATOM 0 HA SER A 172 7.481 -4.362 -2.558 1.00 0.00 H new ATOM 0 HB2 SER A 172 9.731 -4.551 -3.743 1.00 0.00 H new ATOM 0 HB3 SER A 172 8.861 -4.992 -5.199 1.00 0.00 H new ATOM 0 HG SER A 172 9.297 -2.718 -5.092 1.00 0.00 H new ATOM 746 N ARG A 173 5.793 -3.915 -4.521 1.00 0.00 N ATOM 747 CA ARG A 173 4.559 -3.841 -5.297 1.00 0.00 C ATOM 748 C ARG A 173 3.426 -4.576 -4.589 1.00 0.00 C ATOM 749 O ARG A 173 3.664 -5.448 -3.753 1.00 0.00 O ATOM 750 CB ARG A 173 4.773 -4.429 -6.693 1.00 0.00 C ATOM 751 CG ARG A 173 5.227 -3.405 -7.720 1.00 0.00 C ATOM 752 CD ARG A 173 4.501 -3.584 -9.044 1.00 0.00 C ATOM 753 NE ARG A 173 5.250 -4.431 -9.970 1.00 0.00 N ATOM 754 CZ ARG A 173 5.026 -4.475 -11.281 1.00 0.00 C ATOM 755 NH1 ARG A 173 4.079 -3.723 -11.826 1.00 0.00 N ATOM 756 NH2 ARG A 173 5.753 -5.274 -12.051 1.00 0.00 N ATOM 0 H ARG A 173 6.162 -3.010 -4.229 1.00 0.00 H new ATOM 0 HA ARG A 173 4.282 -2.791 -5.393 1.00 0.00 H new ATOM 0 HB2 ARG A 173 5.515 -5.225 -6.633 1.00 0.00 H new ATOM 0 HB3 ARG A 173 3.843 -4.885 -7.033 1.00 0.00 H new ATOM 0 HG2 ARG A 173 5.047 -2.400 -7.338 1.00 0.00 H new ATOM 0 HG3 ARG A 173 6.302 -3.498 -7.878 1.00 0.00 H new ATOM 0 HD2 ARG A 173 3.520 -4.024 -8.863 1.00 0.00 H new ATOM 0 HD3 ARG A 173 4.333 -2.608 -9.500 1.00 0.00 H new ATOM 0 HE ARG A 173 5.988 -5.023 -9.589 1.00 0.00 H new ATOM 0 HH11 ARG A 173 3.517 -3.106 -11.239 1.00 0.00 H new ATOM 0 HH12 ARG A 173 3.913 -3.762 -12.832 1.00 0.00 H new ATOM 0 HH21 ARG A 173 6.483 -5.854 -11.638 1.00 0.00 H new ATOM 0 HH22 ARG A 173 5.582 -5.308 -13.056 1.00 0.00 H new ATOM 770 N PHE A 174 2.191 -4.219 -4.929 1.00 0.00 N ATOM 771 CA PHE A 174 1.020 -4.845 -4.326 1.00 0.00 C ATOM 772 C PHE A 174 0.873 -6.291 -4.791 1.00 0.00 C ATOM 773 O PHE A 174 0.942 -6.580 -5.985 1.00 0.00 O ATOM 774 CB PHE A 174 -0.242 -4.053 -4.676 1.00 0.00 C ATOM 775 CG PHE A 174 -0.680 -3.112 -3.589 1.00 0.00 C ATOM 776 CD1 PHE A 174 -0.877 -3.569 -2.296 1.00 0.00 C ATOM 777 CD2 PHE A 174 -0.894 -1.770 -3.863 1.00 0.00 C ATOM 778 CE1 PHE A 174 -1.281 -2.705 -1.296 1.00 0.00 C ATOM 779 CE2 PHE A 174 -1.298 -0.903 -2.866 1.00 0.00 C ATOM 780 CZ PHE A 174 -1.491 -1.370 -1.581 1.00 0.00 C ATOM 0 H PHE A 174 1.976 -3.499 -5.619 1.00 0.00 H new ATOM 0 HA PHE A 174 1.155 -4.844 -3.244 1.00 0.00 H new ATOM 0 HB2 PHE A 174 -0.063 -3.484 -5.588 1.00 0.00 H new ATOM 0 HB3 PHE A 174 -1.052 -4.751 -4.890 1.00 0.00 H new ATOM 0 HD1 PHE A 174 -0.713 -4.612 -2.067 1.00 0.00 H new ATOM 0 HD2 PHE A 174 -0.743 -1.399 -4.866 1.00 0.00 H new ATOM 0 HE1 PHE A 174 -1.432 -3.073 -0.292 1.00 0.00 H new ATOM 0 HE2 PHE A 174 -1.463 0.140 -3.092 1.00 0.00 H new ATOM 0 HZ PHE A 174 -1.805 -0.693 -0.801 1.00 0.00 H new ATOM 790 N HIS A 175 0.670 -7.194 -3.837 1.00 0.00 N ATOM 791 CA HIS A 175 0.512 -8.611 -4.145 1.00 0.00 C ATOM 792 C HIS A 175 -0.817 -9.137 -3.612 1.00 0.00 C ATOM 793 O HIS A 175 -1.168 -8.903 -2.455 1.00 0.00 O ATOM 794 CB HIS A 175 1.669 -9.417 -3.552 1.00 0.00 C ATOM 795 CG HIS A 175 2.850 -9.528 -4.464 1.00 0.00 C ATOM 796 ND1 HIS A 175 2.843 -10.283 -5.618 1.00 0.00 N ATOM 797 CD2 HIS A 175 4.084 -8.974 -4.389 1.00 0.00 C ATOM 798 CE1 HIS A 175 4.021 -10.190 -6.212 1.00 0.00 C ATOM 799 NE2 HIS A 175 4.790 -9.401 -5.485 1.00 0.00 N ATOM 0 H HIS A 175 0.611 -6.970 -2.844 1.00 0.00 H new ATOM 0 HA HIS A 175 0.519 -8.725 -5.229 1.00 0.00 H new ATOM 0 HB2 HIS A 175 1.984 -8.952 -2.618 1.00 0.00 H new ATOM 0 HB3 HIS A 175 1.315 -10.418 -3.306 1.00 0.00 H new ATOM 0 HD2 HIS A 175 4.445 -8.318 -3.611 1.00 0.00 H new ATOM 0 HE1 HIS A 175 4.305 -10.676 -7.134 1.00 0.00 H new ATOM 0 HE2 HIS A 175 5.754 -9.149 -5.703 1.00 0.00 H new ATOM 807 N VAL A 176 -1.553 -9.846 -4.463 1.00 0.00 N ATOM 808 CA VAL A 176 -2.845 -10.405 -4.080 1.00 0.00 C ATOM 809 C VAL A 176 -2.757 -11.166 -2.760 1.00 0.00 C ATOM 810 O VAL A 176 -1.665 -11.492 -2.292 1.00 0.00 O ATOM 811 CB VAL A 176 -3.394 -11.350 -5.165 1.00 0.00 C ATOM 812 CG1 VAL A 176 -3.831 -10.561 -6.390 1.00 0.00 C ATOM 813 CG2 VAL A 176 -2.354 -12.396 -5.538 1.00 0.00 C ATOM 0 H VAL A 176 -1.276 -10.047 -5.424 1.00 0.00 H new ATOM 0 HA VAL A 176 -3.524 -9.561 -3.962 1.00 0.00 H new ATOM 0 HB VAL A 176 -4.267 -11.866 -4.764 1.00 0.00 H new ATOM 0 HG11 VAL A 176 -4.216 -11.246 -7.146 1.00 0.00 H new ATOM 0 HG12 VAL A 176 -4.612 -9.855 -6.108 1.00 0.00 H new ATOM 0 HG13 VAL A 176 -2.978 -10.016 -6.795 1.00 0.00 H new ATOM 0 HG21 VAL A 176 -2.760 -13.055 -6.306 1.00 0.00 H new ATOM 0 HG22 VAL A 176 -1.461 -11.901 -5.919 1.00 0.00 H new ATOM 0 HG23 VAL A 176 -2.095 -12.983 -4.656 1.00 0.00 H new ATOM 823 N LEU A 177 -3.911 -11.442 -2.164 1.00 0.00 N ATOM 824 CA LEU A 177 -3.966 -12.163 -0.898 1.00 0.00 C ATOM 825 C LEU A 177 -4.223 -13.649 -1.126 1.00 0.00 C ATOM 826 O LEU A 177 -4.942 -14.289 -0.360 1.00 0.00 O ATOM 827 CB LEU A 177 -5.058 -11.575 -0.001 1.00 0.00 C ATOM 828 CG LEU A 177 -4.701 -11.499 1.488 1.00 0.00 C ATOM 829 CD1 LEU A 177 -4.830 -10.072 1.999 1.00 0.00 C ATOM 830 CD2 LEU A 177 -5.586 -12.437 2.297 1.00 0.00 C ATOM 0 H LEU A 177 -4.822 -11.177 -2.538 1.00 0.00 H new ATOM 0 HA LEU A 177 -3.000 -12.054 -0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -5.296 -10.572 -0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -5.961 -12.175 -0.113 1.00 0.00 H new ATOM 0 HG LEU A 177 -3.664 -11.813 1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -4.572 -10.040 3.058 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -4.155 -9.423 1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -5.856 -9.729 1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -5.319 -12.370 3.352 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -6.630 -12.153 2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -5.443 -13.461 1.951 1.00 0.00 H new ATOM 842 N GLU A 178 -3.628 -14.192 -2.182 1.00 0.00 N ATOM 843 CA GLU A 178 -3.792 -15.604 -2.509 1.00 0.00 C ATOM 844 C GLU A 178 -2.855 -16.466 -1.668 1.00 0.00 C ATOM 845 O GLU A 178 -3.168 -17.613 -1.350 1.00 0.00 O ATOM 846 CB GLU A 178 -3.528 -15.839 -3.996 1.00 0.00 C ATOM 847 CG GLU A 178 -4.344 -14.938 -4.909 1.00 0.00 C ATOM 848 CD GLU A 178 -5.645 -15.578 -5.346 1.00 0.00 C ATOM 849 OE1 GLU A 178 -6.446 -15.958 -4.465 1.00 0.00 O ATOM 850 OE2 GLU A 178 -5.867 -15.699 -6.570 1.00 0.00 O ATOM 0 H GLU A 178 -3.028 -13.677 -2.826 1.00 0.00 H new ATOM 0 HA GLU A 178 -4.820 -15.889 -2.283 1.00 0.00 H new ATOM 0 HB2 GLU A 178 -2.468 -15.682 -4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 178 -3.748 -16.879 -4.235 1.00 0.00 H new ATOM 0 HG2 GLU A 178 -4.559 -14.002 -4.393 1.00 0.00 H new ATOM 0 HG3 GLU A 178 -3.753 -14.688 -5.790 1.00 0.00 H new ATOM 857 N GLU A 179 -1.703 -15.905 -1.311 1.00 0.00 N ATOM 858 CA GLU A 179 -0.721 -16.620 -0.506 1.00 0.00 C ATOM 859 C GLU A 179 -0.557 -15.959 0.860 1.00 0.00 C ATOM 860 O GLU A 179 -0.393 -16.638 1.873 1.00 0.00 O ATOM 861 CB GLU A 179 0.626 -16.669 -1.233 1.00 0.00 C ATOM 862 CG GLU A 179 1.114 -18.081 -1.510 1.00 0.00 C ATOM 863 CD GLU A 179 1.946 -18.172 -2.776 1.00 0.00 C ATOM 864 OE1 GLU A 179 2.743 -17.244 -3.030 1.00 0.00 O ATOM 865 OE2 GLU A 179 1.801 -19.171 -3.510 1.00 0.00 O ATOM 0 H GLU A 179 -1.428 -14.957 -1.567 1.00 0.00 H new ATOM 0 HA GLU A 179 -1.079 -17.639 -0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 179 0.540 -16.131 -2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 179 1.372 -16.146 -0.635 1.00 0.00 H new ATOM 0 HG2 GLU A 179 1.707 -18.429 -0.664 1.00 0.00 H new ATOM 0 HG3 GLU A 179 0.256 -18.748 -1.594 1.00 0.00 H new ATOM 872 N PHE A 180 -0.603 -14.631 0.879 1.00 0.00 N ATOM 873 CA PHE A 180 -0.461 -13.879 2.121 1.00 0.00 C ATOM 874 C PHE A 180 -1.669 -14.095 3.027 1.00 0.00 C ATOM 875 O PHE A 180 -2.808 -13.840 2.631 1.00 0.00 O ATOM 876 CB PHE A 180 -0.295 -12.386 1.824 1.00 0.00 C ATOM 877 CG PHE A 180 0.948 -12.064 1.043 1.00 0.00 C ATOM 878 CD1 PHE A 180 0.941 -12.099 -0.343 1.00 0.00 C ATOM 879 CD2 PHE A 180 2.123 -11.724 1.694 1.00 0.00 C ATOM 880 CE1 PHE A 180 2.082 -11.802 -1.063 1.00 0.00 C ATOM 881 CE2 PHE A 180 3.267 -11.426 0.979 1.00 0.00 C ATOM 882 CZ PHE A 180 3.246 -11.465 -0.401 1.00 0.00 C ATOM 0 H PHE A 180 -0.737 -14.053 0.049 1.00 0.00 H new ATOM 0 HA PHE A 180 0.429 -14.241 2.635 1.00 0.00 H new ATOM 0 HB2 PHE A 180 -1.165 -12.035 1.268 1.00 0.00 H new ATOM 0 HB3 PHE A 180 -0.276 -11.837 2.765 1.00 0.00 H new ATOM 0 HD1 PHE A 180 0.033 -12.361 -0.866 1.00 0.00 H new ATOM 0 HD2 PHE A 180 2.145 -11.692 2.773 1.00 0.00 H new ATOM 0 HE1 PHE A 180 2.064 -11.833 -2.142 1.00 0.00 H new ATOM 0 HE2 PHE A 180 4.176 -11.163 1.499 1.00 0.00 H new ATOM 0 HZ PHE A 180 4.139 -11.232 -0.962 1.00 0.00 H new ATOM 892 N ASP A 181 -1.415 -14.567 4.243 1.00 0.00 N ATOM 893 CA ASP A 181 -2.484 -14.818 5.203 1.00 0.00 C ATOM 894 C ASP A 181 -3.012 -13.510 5.784 1.00 0.00 C ATOM 895 O ASP A 181 -2.254 -12.518 5.790 1.00 0.00 O ATOM 896 CB ASP A 181 -1.983 -15.724 6.330 1.00 0.00 C ATOM 897 CG ASP A 181 -2.222 -17.193 6.041 1.00 0.00 C ATOM 898 OD1 ASP A 181 -3.384 -17.639 6.158 1.00 0.00 O ATOM 899 OD2 ASP A 181 -1.250 -17.897 5.699 1.00 0.00 O ATOM 900 OXT ASP A 181 -4.180 -13.488 6.225 1.00 0.00 O ATOM 0 H ASP A 181 -0.479 -14.783 4.587 1.00 0.00 H new ATOM 0 HA ASP A 181 -3.299 -15.317 4.679 1.00 0.00 H new ATOM 0 HB2 ASP A 181 -0.917 -15.555 6.481 1.00 0.00 H new ATOM 0 HB3 ASP A 181 -2.484 -15.453 7.260 1.00 0.00 H new TER 905 ASP A 181 HETATM 906 ZN ZN A 182 -3.614 3.592 2.170 1.00 0.00 ZN