USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 500 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 102 HIS HD1 : A 102 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD NoAdj-H: A 140 HIS HD1 : A 140 HIS ND1 : A 2 ZNZN :(H bumps) USER MOD Set 1.1: A 107 HIS : no HD1:sc= -0.443 X(o=-3.1,f=-3.2) USER MOD Set 1.2: A 109 TYR OH : rot 180:sc= -2.6! USER MOD Set 1.3: A 131 LYS NZ :NH3+ 165:sc= -0.0442 (180deg=-0.226) USER MOD Set 2.1: A 113 THR OG1 : rot 82:sc= 0.636 USER MOD Set 2.2: A 128 GLN : amide:sc= -12.4! C(o=-12!,f=-20!) USER MOD Set 3.1: A 110 SER OG : rot -73:sc= 0.931 USER MOD Set 3.2: A 111 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 108 SER OG : rot -83:sc= 0.162 USER MOD Set 4.2: A 127 HIS : no HD1:sc=-0.000976 K(o=0.16,f=-6.2!) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -6.04! C(o=-6!,f=-6.8!) USER MOD Single : A 120 SER OG : rot 180:sc= -0.17 USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 MET CE :methyl -168:sc= -1.03 (180deg=-1.7) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 CYS SG : rot -120:sc= 0.576 USER MOD Single : A 137 MET CE :methyl -179:sc= 0 (180deg=-0.00207) USER MOD Single : A 138 ASN : amide:sc= -1.23 K(o=-1.2,f=-6.7!) USER MOD Single : A 146 SER OG : rot 97:sc= 0.446 USER MOD Single : A 149 SER OG : rot 180:sc= -1.08 USER MOD Single : A 155 HIS : no HD1:sc= -0.51 X(o=-0.51,f=-0.84) USER MOD Single : A 156 THR OG1 : rot 47:sc= -0.115! USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 94 -14.741 20.791 -3.834 1.00 0.00 N ATOM 2 CA GLN A 94 -15.901 20.164 -4.527 1.00 0.00 C ATOM 3 C GLN A 94 -16.427 18.996 -3.690 1.00 0.00 C ATOM 4 O GLN A 94 -17.424 19.110 -3.006 1.00 0.00 O ATOM 5 CB GLN A 94 -15.457 19.648 -5.899 1.00 0.00 C ATOM 6 CG GLN A 94 -14.953 20.818 -6.746 1.00 0.00 C ATOM 7 CD GLN A 94 -15.984 21.150 -7.825 1.00 0.00 C ATOM 8 OE1 GLN A 94 -17.130 21.420 -7.524 1.00 0.00 O ATOM 9 NE2 GLN A 94 -15.624 21.141 -9.079 1.00 0.00 N ATOM 0 HA GLN A 94 -16.691 20.904 -4.654 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -14.669 18.904 -5.782 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -16.289 19.154 -6.400 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -14.779 21.689 -6.114 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -13.999 20.562 -7.207 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -14.662 20.914 -9.332 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -16.304 21.361 -9.807 1.00 0.00 H new ATOM 20 N THR A 95 -15.764 17.873 -3.739 1.00 0.00 N ATOM 21 CA THR A 95 -16.226 16.700 -2.944 1.00 0.00 C ATOM 22 C THR A 95 -15.013 15.901 -2.463 1.00 0.00 C ATOM 23 O THR A 95 -14.821 15.699 -1.281 1.00 0.00 O ATOM 24 CB THR A 95 -17.110 15.808 -3.820 1.00 0.00 C ATOM 25 OG1 THR A 95 -16.368 15.374 -4.952 1.00 0.00 O ATOM 26 CG2 THR A 95 -18.336 16.596 -4.283 1.00 0.00 C ATOM 0 H THR A 95 -14.923 17.717 -4.295 1.00 0.00 H new ATOM 0 HA THR A 95 -16.798 17.046 -2.083 1.00 0.00 H new ATOM 0 HB THR A 95 -17.435 14.942 -3.244 1.00 0.00 H new ATOM 0 HG1 THR A 95 -16.932 14.801 -5.513 1.00 0.00 H new ATOM 0 HG21 THR A 95 -18.964 15.959 -4.906 1.00 0.00 H new ATOM 0 HG22 THR A 95 -18.905 16.928 -3.414 1.00 0.00 H new ATOM 0 HG23 THR A 95 -18.015 17.464 -4.859 1.00 0.00 H new ATOM 34 N ASP A 96 -14.194 15.446 -3.371 1.00 0.00 N ATOM 35 CA ASP A 96 -12.995 14.661 -2.964 1.00 0.00 C ATOM 36 C ASP A 96 -13.393 13.632 -1.904 1.00 0.00 C ATOM 37 O ASP A 96 -13.268 13.867 -0.719 1.00 0.00 O ATOM 38 CB ASP A 96 -11.939 15.606 -2.385 1.00 0.00 C ATOM 39 CG ASP A 96 -11.448 16.555 -3.478 1.00 0.00 C ATOM 40 OD1 ASP A 96 -11.649 16.244 -4.641 1.00 0.00 O ATOM 41 OD2 ASP A 96 -10.880 17.579 -3.136 1.00 0.00 O ATOM 0 H ASP A 96 -14.303 15.584 -4.376 1.00 0.00 H new ATOM 0 HA ASP A 96 -12.586 14.147 -3.834 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -12.361 16.176 -1.557 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.103 15.032 -1.984 1.00 0.00 H new ATOM 46 N ASP A 97 -13.872 12.492 -2.322 1.00 0.00 N ATOM 47 CA ASP A 97 -14.276 11.449 -1.336 1.00 0.00 C ATOM 48 C ASP A 97 -13.130 10.450 -1.153 1.00 0.00 C ATOM 49 O ASP A 97 -12.259 10.351 -1.994 1.00 0.00 O ATOM 50 CB ASP A 97 -15.516 10.714 -1.851 1.00 0.00 C ATOM 51 CG ASP A 97 -16.749 11.601 -1.666 1.00 0.00 C ATOM 52 OD1 ASP A 97 -16.876 12.566 -2.401 1.00 0.00 O ATOM 53 OD2 ASP A 97 -17.544 11.301 -0.791 1.00 0.00 O ATOM 0 H ASP A 97 -14.001 12.238 -3.301 1.00 0.00 H new ATOM 0 HA ASP A 97 -14.504 11.920 -0.380 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -15.391 10.462 -2.904 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -15.646 9.776 -1.312 1.00 0.00 H new ATOM 58 N PRO A 98 -13.166 9.742 -0.051 1.00 0.00 N ATOM 59 CA PRO A 98 -12.143 8.737 0.287 1.00 0.00 C ATOM 60 C PRO A 98 -12.404 7.426 -0.466 1.00 0.00 C ATOM 61 O PRO A 98 -12.653 6.398 0.131 1.00 0.00 O ATOM 62 CB PRO A 98 -12.323 8.538 1.794 1.00 0.00 C ATOM 63 CG PRO A 98 -13.768 8.984 2.124 1.00 0.00 C ATOM 64 CD PRO A 98 -14.228 9.887 0.965 1.00 0.00 C ATOM 0 HA PRO A 98 -11.134 9.048 0.015 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -12.166 7.495 2.070 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -11.597 9.128 2.353 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -14.426 8.121 2.226 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -13.800 9.523 3.071 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -15.197 9.573 0.576 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -14.334 10.923 1.285 1.00 0.00 H new ATOM 72 N ARG A 99 -12.346 7.454 -1.769 1.00 0.00 N ATOM 73 CA ARG A 99 -12.589 6.211 -2.554 1.00 0.00 C ATOM 74 C ARG A 99 -11.698 6.217 -3.798 1.00 0.00 C ATOM 75 O ARG A 99 -12.174 6.311 -4.912 1.00 0.00 O ATOM 76 CB ARG A 99 -14.058 6.154 -2.980 1.00 0.00 C ATOM 77 CG ARG A 99 -14.938 5.884 -1.758 1.00 0.00 C ATOM 78 CD ARG A 99 -15.070 4.375 -1.547 1.00 0.00 C ATOM 79 NE ARG A 99 -16.342 3.897 -2.159 1.00 0.00 N ATOM 80 CZ ARG A 99 -16.479 2.641 -2.482 1.00 0.00 C ATOM 81 NH1 ARG A 99 -16.429 1.720 -1.558 1.00 0.00 N ATOM 82 NH2 ARG A 99 -16.666 2.304 -3.729 1.00 0.00 N ATOM 0 H ARG A 99 -12.141 8.285 -2.324 1.00 0.00 H new ATOM 0 HA ARG A 99 -12.356 5.341 -1.941 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -14.348 7.095 -3.448 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -14.201 5.370 -3.724 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -14.503 6.349 -0.873 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -15.923 6.329 -1.900 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -14.221 3.859 -1.996 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -15.057 4.143 -0.482 1.00 0.00 H new ATOM 0 HE ARG A 99 -17.106 4.552 -2.325 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -16.283 1.983 -0.583 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -16.536 0.738 -1.811 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -16.705 3.023 -4.451 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -16.773 1.321 -3.981 1.00 0.00 H new ATOM 96 N ASN A 100 -10.410 6.123 -3.619 1.00 0.00 N ATOM 97 CA ASN A 100 -9.493 6.127 -4.785 1.00 0.00 C ATOM 98 C ASN A 100 -8.663 4.841 -4.778 1.00 0.00 C ATOM 99 O ASN A 100 -9.178 3.761 -4.562 1.00 0.00 O ATOM 100 CB ASN A 100 -8.579 7.353 -4.693 1.00 0.00 C ATOM 101 CG ASN A 100 -9.431 8.622 -4.630 1.00 0.00 C ATOM 102 OD1 ASN A 100 -10.067 8.988 -5.599 1.00 0.00 O ATOM 103 ND2 ASN A 100 -9.471 9.313 -3.524 1.00 0.00 N ATOM 0 H ASN A 100 -9.954 6.043 -2.710 1.00 0.00 H new ATOM 0 HA ASN A 100 -10.062 6.174 -5.714 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -7.947 7.283 -3.808 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -7.915 7.390 -5.557 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -10.036 10.161 -3.472 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -8.937 9.006 -2.711 1.00 0.00 H new ATOM 110 N LYS A 101 -7.390 4.945 -5.017 1.00 0.00 N ATOM 111 CA LYS A 101 -6.528 3.730 -5.030 1.00 0.00 C ATOM 112 C LYS A 101 -6.101 3.382 -3.604 1.00 0.00 C ATOM 113 O LYS A 101 -6.508 4.015 -2.650 1.00 0.00 O ATOM 114 CB LYS A 101 -5.286 3.997 -5.881 1.00 0.00 C ATOM 115 CG LYS A 101 -5.708 4.331 -7.312 1.00 0.00 C ATOM 116 CD LYS A 101 -4.840 5.471 -7.848 1.00 0.00 C ATOM 117 CE LYS A 101 -3.884 4.927 -8.911 1.00 0.00 C ATOM 118 NZ LYS A 101 -4.118 5.636 -10.200 1.00 0.00 N ATOM 0 H LYS A 101 -6.904 5.822 -5.205 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.089 2.896 -5.451 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.713 4.822 -5.458 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.635 3.123 -5.878 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -5.605 3.451 -7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -6.759 4.619 -7.335 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.469 6.252 -8.275 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.275 5.926 -7.034 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.851 5.064 -8.591 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -4.038 3.856 -9.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.468 5.266 -10.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -5.100 5.483 -10.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -3.950 6.654 -10.072 1.00 0.00 H new ATOM 132 N HIS A 102 -5.282 2.377 -3.458 1.00 0.00 N ATOM 133 CA HIS A 102 -4.819 1.974 -2.100 1.00 0.00 C ATOM 134 C HIS A 102 -4.498 3.220 -1.272 1.00 0.00 C ATOM 135 O HIS A 102 -4.113 4.245 -1.799 1.00 0.00 O ATOM 136 CB HIS A 102 -3.554 1.121 -2.228 1.00 0.00 C ATOM 137 CG HIS A 102 -3.855 -0.118 -3.024 1.00 0.00 C ATOM 138 ND1 HIS A 102 -4.394 -1.255 -2.445 1.00 0.00 N ATOM 139 CD2 HIS A 102 -3.691 -0.415 -4.354 1.00 0.00 C ATOM 140 CE1 HIS A 102 -4.534 -2.177 -3.415 1.00 0.00 C ATOM 141 NE2 HIS A 102 -4.122 -1.717 -4.599 1.00 0.00 N ATOM 0 H HIS A 102 -4.912 1.815 -4.225 1.00 0.00 H new ATOM 0 HA HIS A 102 -5.606 1.402 -1.608 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -2.765 1.694 -2.715 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -3.186 0.849 -1.239 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -3.289 0.258 -5.097 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -4.931 -3.169 -3.255 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -4.123 -2.212 -5.491 1.00 0.00 H new ATOM 148 N LYS A 103 -4.642 3.135 0.021 1.00 0.00 N ATOM 149 CA LYS A 103 -4.332 4.309 0.884 1.00 0.00 C ATOM 150 C LYS A 103 -2.859 4.244 1.283 1.00 0.00 C ATOM 151 O LYS A 103 -2.513 4.354 2.442 1.00 0.00 O ATOM 152 CB LYS A 103 -5.208 4.267 2.139 1.00 0.00 C ATOM 153 CG LYS A 103 -5.579 5.691 2.554 1.00 0.00 C ATOM 154 CD LYS A 103 -6.415 5.649 3.836 1.00 0.00 C ATOM 155 CE LYS A 103 -5.493 5.768 5.050 1.00 0.00 C ATOM 156 NZ LYS A 103 -5.535 7.164 5.572 1.00 0.00 N ATOM 0 H LYS A 103 -4.961 2.303 0.518 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.531 5.234 0.343 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -6.110 3.687 1.945 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.676 3.768 2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -4.677 6.281 2.715 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.140 6.179 1.757 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.141 6.462 3.836 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.979 4.718 3.884 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -5.804 5.069 5.826 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -4.473 5.503 4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -4.908 7.245 6.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.218 7.821 4.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.508 7.401 5.852 1.00 0.00 H new ATOM 170 N PHE A 104 -1.992 4.052 0.324 1.00 0.00 N ATOM 171 CA PHE A 104 -0.535 3.962 0.626 1.00 0.00 C ATOM 172 C PHE A 104 -0.156 4.991 1.693 1.00 0.00 C ATOM 173 O PHE A 104 -0.624 6.112 1.686 1.00 0.00 O ATOM 174 CB PHE A 104 0.265 4.239 -0.648 1.00 0.00 C ATOM 175 CG PHE A 104 0.001 3.150 -1.662 1.00 0.00 C ATOM 176 CD1 PHE A 104 0.252 1.811 -1.334 1.00 0.00 C ATOM 177 CD2 PHE A 104 -0.490 3.480 -2.932 1.00 0.00 C ATOM 178 CE1 PHE A 104 0.010 0.802 -2.275 1.00 0.00 C ATOM 179 CE2 PHE A 104 -0.730 2.470 -3.874 1.00 0.00 C ATOM 180 CZ PHE A 104 -0.481 1.132 -3.545 1.00 0.00 C ATOM 0 H PHE A 104 -2.234 3.953 -0.662 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.309 2.962 0.996 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.014 5.209 -1.060 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.329 4.285 -0.418 1.00 0.00 H new ATOM 0 HD1 PHE A 104 0.632 1.557 -0.356 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.683 4.512 -3.185 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.202 -0.230 -2.022 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.107 2.724 -4.854 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.668 0.354 -4.271 1.00 0.00 H new ATOM 190 N ARG A 105 0.692 4.614 2.609 1.00 0.00 N ATOM 191 CA ARG A 105 1.110 5.562 3.677 1.00 0.00 C ATOM 192 C ARG A 105 2.585 5.327 4.007 1.00 0.00 C ATOM 193 O ARG A 105 2.945 4.340 4.618 1.00 0.00 O ATOM 194 CB ARG A 105 0.262 5.329 4.929 1.00 0.00 C ATOM 195 CG ARG A 105 0.526 6.446 5.941 1.00 0.00 C ATOM 196 CD ARG A 105 -0.444 7.603 5.690 1.00 0.00 C ATOM 197 NE ARG A 105 0.172 8.568 4.737 1.00 0.00 N ATOM 198 CZ ARG A 105 -0.536 9.554 4.258 1.00 0.00 C ATOM 199 NH1 ARG A 105 -1.367 9.342 3.274 1.00 0.00 N ATOM 200 NH2 ARG A 105 -0.413 10.751 4.761 1.00 0.00 N ATOM 0 H ARG A 105 1.114 3.687 2.663 1.00 0.00 H new ATOM 0 HA ARG A 105 0.970 6.587 3.333 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -0.795 5.305 4.665 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.503 4.361 5.369 1.00 0.00 H new ATOM 0 HG2 ARG A 105 0.403 6.068 6.956 1.00 0.00 H new ATOM 0 HG3 ARG A 105 1.555 6.795 5.853 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -1.382 7.224 5.285 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -0.681 8.103 6.629 1.00 0.00 H new ATOM 0 HE ARG A 105 1.147 8.458 4.459 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.463 8.406 2.880 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.921 10.112 2.899 1.00 0.00 H new ATOM 0 HH21 ARG A 105 0.237 10.917 5.529 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -0.967 11.521 4.386 1.00 0.00 H new ATOM 214 N LEU A 106 3.444 6.223 3.603 1.00 0.00 N ATOM 215 CA LEU A 106 4.892 6.046 3.891 1.00 0.00 C ATOM 216 C LEU A 106 5.091 5.851 5.395 1.00 0.00 C ATOM 217 O LEU A 106 4.614 6.624 6.202 1.00 0.00 O ATOM 218 CB LEU A 106 5.661 7.285 3.422 1.00 0.00 C ATOM 219 CG LEU A 106 5.409 8.443 4.386 1.00 0.00 C ATOM 220 CD1 LEU A 106 6.158 9.685 3.902 1.00 0.00 C ATOM 221 CD2 LEU A 106 3.912 8.743 4.446 1.00 0.00 C ATOM 0 H LEU A 106 3.204 7.069 3.086 1.00 0.00 H new ATOM 0 HA LEU A 106 5.266 5.170 3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.728 7.066 3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.346 7.561 2.416 1.00 0.00 H new ATOM 0 HG LEU A 106 5.764 8.169 5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 106 5.977 10.510 4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.226 9.473 3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.805 9.958 2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.734 9.569 5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.555 9.015 3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.377 7.859 4.794 1.00 0.00 H new ATOM 233 N HIS A 107 5.790 4.820 5.778 1.00 0.00 N ATOM 234 CA HIS A 107 6.021 4.569 7.229 1.00 0.00 C ATOM 235 C HIS A 107 7.515 4.367 7.477 1.00 0.00 C ATOM 236 O HIS A 107 8.326 4.493 6.582 1.00 0.00 O ATOM 237 CB HIS A 107 5.257 3.315 7.655 1.00 0.00 C ATOM 238 CG HIS A 107 3.817 3.668 7.908 1.00 0.00 C ATOM 239 ND1 HIS A 107 3.449 4.769 8.665 1.00 0.00 N ATOM 240 CD2 HIS A 107 2.643 3.076 7.511 1.00 0.00 C ATOM 241 CE1 HIS A 107 2.105 4.806 8.700 1.00 0.00 C ATOM 242 NE2 HIS A 107 1.563 3.798 8.013 1.00 0.00 N ATOM 0 H HIS A 107 6.213 4.138 5.148 1.00 0.00 H new ATOM 0 HA HIS A 107 5.669 5.422 7.809 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.325 2.553 6.878 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.703 2.893 8.556 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.569 2.187 6.903 1.00 0.00 H new ATOM 0 HE1 HIS A 107 1.534 5.560 9.221 1.00 0.00 H new ATOM 0 HE2 HIS A 107 0.571 3.599 7.884 1.00 0.00 H new ATOM 250 N SER A 108 7.886 4.057 8.687 1.00 0.00 N ATOM 251 CA SER A 108 9.331 3.850 8.990 1.00 0.00 C ATOM 252 C SER A 108 9.484 2.801 10.094 1.00 0.00 C ATOM 253 O SER A 108 9.134 3.030 11.235 1.00 0.00 O ATOM 254 CB SER A 108 9.947 5.170 9.454 1.00 0.00 C ATOM 255 OG SER A 108 9.268 6.250 8.829 1.00 0.00 O ATOM 0 H SER A 108 7.254 3.938 9.478 1.00 0.00 H new ATOM 0 HA SER A 108 9.841 3.503 8.091 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.874 5.258 10.538 1.00 0.00 H new ATOM 0 HB3 SER A 108 11.007 5.198 9.203 1.00 0.00 H new ATOM 0 HG SER A 108 9.635 6.392 7.932 1.00 0.00 H new ATOM 261 N TYR A 109 10.014 1.654 9.765 1.00 0.00 N ATOM 262 CA TYR A 109 10.200 0.594 10.795 1.00 0.00 C ATOM 263 C TYR A 109 11.690 0.280 10.929 1.00 0.00 C ATOM 264 O TYR A 109 12.071 -0.825 11.264 1.00 0.00 O ATOM 265 CB TYR A 109 9.454 -0.676 10.376 1.00 0.00 C ATOM 266 CG TYR A 109 8.196 -0.310 9.625 1.00 0.00 C ATOM 267 CD1 TYR A 109 7.212 0.470 10.245 1.00 0.00 C ATOM 268 CD2 TYR A 109 8.013 -0.757 8.310 1.00 0.00 C ATOM 269 CE1 TYR A 109 6.042 0.804 9.548 1.00 0.00 C ATOM 270 CE2 TYR A 109 6.843 -0.424 7.614 1.00 0.00 C ATOM 271 CZ TYR A 109 5.858 0.357 8.233 1.00 0.00 C ATOM 272 OH TYR A 109 4.706 0.684 7.548 1.00 0.00 O ATOM 0 H TYR A 109 10.326 1.406 8.826 1.00 0.00 H new ATOM 0 HA TYR A 109 9.806 0.945 11.749 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.096 -1.295 9.748 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.203 -1.268 11.256 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.354 0.814 11.259 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.773 -1.358 7.833 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.283 1.406 10.025 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.701 -0.769 6.601 1.00 0.00 H new ATOM 0 HH TYR A 109 4.739 0.296 6.649 1.00 0.00 H new ATOM 282 N SER A 110 12.534 1.245 10.660 1.00 0.00 N ATOM 283 CA SER A 110 14.008 1.022 10.759 1.00 0.00 C ATOM 284 C SER A 110 14.518 0.380 9.466 1.00 0.00 C ATOM 285 O SER A 110 15.545 0.761 8.938 1.00 0.00 O ATOM 286 CB SER A 110 14.321 0.108 11.945 1.00 0.00 C ATOM 287 OG SER A 110 14.484 -1.225 11.479 1.00 0.00 O ATOM 0 H SER A 110 12.262 2.185 10.374 1.00 0.00 H new ATOM 0 HA SER A 110 14.504 1.981 10.909 1.00 0.00 H new ATOM 0 HB2 SER A 110 15.228 0.443 12.448 1.00 0.00 H new ATOM 0 HB3 SER A 110 13.515 0.154 12.677 1.00 0.00 H new ATOM 0 HG SER A 110 13.611 -1.594 11.231 1.00 0.00 H new ATOM 293 N SER A 111 13.812 -0.588 8.947 1.00 0.00 N ATOM 294 CA SER A 111 14.261 -1.246 7.687 1.00 0.00 C ATOM 295 C SER A 111 13.109 -1.247 6.677 1.00 0.00 C ATOM 296 O SER A 111 11.955 -1.208 7.057 1.00 0.00 O ATOM 297 CB SER A 111 14.679 -2.685 7.985 1.00 0.00 C ATOM 298 OG SER A 111 15.891 -2.677 8.728 1.00 0.00 O ATOM 0 H SER A 111 12.944 -0.951 9.341 1.00 0.00 H new ATOM 0 HA SER A 111 15.109 -0.701 7.272 1.00 0.00 H new ATOM 0 HB2 SER A 111 13.897 -3.194 8.548 1.00 0.00 H new ATOM 0 HB3 SER A 111 14.813 -3.237 7.055 1.00 0.00 H new ATOM 0 HG SER A 111 16.161 -3.599 8.923 1.00 0.00 H new ATOM 304 N PRO A 112 13.459 -1.291 5.418 1.00 0.00 N ATOM 305 CA PRO A 112 12.476 -1.296 4.320 1.00 0.00 C ATOM 306 C PRO A 112 11.849 -2.684 4.163 1.00 0.00 C ATOM 307 O PRO A 112 12.511 -3.696 4.291 1.00 0.00 O ATOM 308 CB PRO A 112 13.309 -0.926 3.090 1.00 0.00 C ATOM 309 CG PRO A 112 14.776 -1.276 3.433 1.00 0.00 C ATOM 310 CD PRO A 112 14.866 -1.339 4.970 1.00 0.00 C ATOM 0 HA PRO A 112 11.645 -0.610 4.487 1.00 0.00 H new ATOM 0 HB2 PRO A 112 12.973 -1.479 2.213 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.207 0.134 2.857 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.061 -2.230 2.989 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.457 -0.523 3.036 1.00 0.00 H new ATOM 0 HD2 PRO A 112 15.359 -2.252 5.303 1.00 0.00 H new ATOM 0 HD3 PRO A 112 15.440 -0.503 5.370 1.00 0.00 H new ATOM 318 N THR A 113 10.577 -2.736 3.883 1.00 0.00 N ATOM 319 CA THR A 113 9.901 -4.051 3.714 1.00 0.00 C ATOM 320 C THR A 113 9.991 -4.478 2.250 1.00 0.00 C ATOM 321 O THR A 113 10.485 -3.751 1.410 1.00 0.00 O ATOM 322 CB THR A 113 8.429 -3.925 4.119 1.00 0.00 C ATOM 323 OG1 THR A 113 8.303 -2.938 5.133 1.00 0.00 O ATOM 324 CG2 THR A 113 7.925 -5.269 4.647 1.00 0.00 C ATOM 0 H THR A 113 9.975 -1.921 3.764 1.00 0.00 H new ATOM 0 HA THR A 113 10.387 -4.796 4.344 1.00 0.00 H new ATOM 0 HB THR A 113 7.837 -3.634 3.251 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.283 -2.048 4.723 1.00 0.00 H new ATOM 0 HG21 THR A 113 6.878 -5.177 4.935 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.023 -6.026 3.868 1.00 0.00 H new ATOM 0 HG23 THR A 113 8.515 -5.563 5.515 1.00 0.00 H new ATOM 332 N PHE A 114 9.522 -5.651 1.939 1.00 0.00 N ATOM 333 CA PHE A 114 9.587 -6.127 0.530 1.00 0.00 C ATOM 334 C PHE A 114 8.453 -5.491 -0.276 1.00 0.00 C ATOM 335 O PHE A 114 7.405 -5.172 0.249 1.00 0.00 O ATOM 336 CB PHE A 114 9.439 -7.649 0.497 1.00 0.00 C ATOM 337 CG PHE A 114 10.799 -8.297 0.602 1.00 0.00 C ATOM 338 CD1 PHE A 114 11.400 -8.466 1.857 1.00 0.00 C ATOM 339 CD2 PHE A 114 11.459 -8.731 -0.556 1.00 0.00 C ATOM 340 CE1 PHE A 114 12.661 -9.070 1.954 1.00 0.00 C ATOM 341 CE2 PHE A 114 12.720 -9.335 -0.458 1.00 0.00 C ATOM 342 CZ PHE A 114 13.321 -9.504 0.797 1.00 0.00 C ATOM 0 H PHE A 114 9.096 -6.302 2.599 1.00 0.00 H new ATOM 0 HA PHE A 114 10.547 -5.845 0.097 1.00 0.00 H new ATOM 0 HB2 PHE A 114 8.804 -7.980 1.319 1.00 0.00 H new ATOM 0 HB3 PHE A 114 8.950 -7.956 -0.427 1.00 0.00 H new ATOM 0 HD1 PHE A 114 10.892 -8.131 2.749 1.00 0.00 H new ATOM 0 HD2 PHE A 114 10.996 -8.600 -1.523 1.00 0.00 H new ATOM 0 HE1 PHE A 114 13.124 -9.201 2.921 1.00 0.00 H new ATOM 0 HE2 PHE A 114 13.229 -9.670 -1.350 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.293 -9.969 0.872 1.00 0.00 H new ATOM 352 N CYS A 115 8.656 -5.305 -1.553 1.00 0.00 N ATOM 353 CA CYS A 115 7.592 -4.693 -2.396 1.00 0.00 C ATOM 354 C CYS A 115 6.697 -5.797 -2.958 1.00 0.00 C ATOM 355 O CYS A 115 7.160 -6.846 -3.359 1.00 0.00 O ATOM 356 CB CYS A 115 8.241 -3.910 -3.536 1.00 0.00 C ATOM 357 SG CYS A 115 6.964 -3.194 -4.598 1.00 0.00 S ATOM 0 H CYS A 115 9.513 -5.551 -2.048 1.00 0.00 H new ATOM 0 HA CYS A 115 6.986 -4.014 -1.797 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.874 -3.120 -3.132 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.885 -4.568 -4.120 1.00 0.00 H new ATOM 362 N ASP A 116 5.415 -5.568 -2.980 1.00 0.00 N ATOM 363 CA ASP A 116 4.476 -6.605 -3.500 1.00 0.00 C ATOM 364 C ASP A 116 4.152 -6.328 -4.969 1.00 0.00 C ATOM 365 O ASP A 116 3.627 -7.172 -5.667 1.00 0.00 O ATOM 366 CB ASP A 116 3.183 -6.578 -2.681 1.00 0.00 C ATOM 367 CG ASP A 116 2.660 -5.142 -2.600 1.00 0.00 C ATOM 368 OD1 ASP A 116 2.281 -4.612 -3.632 1.00 0.00 O ATOM 369 OD2 ASP A 116 2.648 -4.597 -1.509 1.00 0.00 O ATOM 0 H ASP A 116 4.974 -4.706 -2.660 1.00 0.00 H new ATOM 0 HA ASP A 116 4.945 -7.585 -3.416 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.435 -7.223 -3.141 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.366 -6.967 -1.679 1.00 0.00 H new ATOM 374 N HIS A 117 4.457 -5.154 -5.442 1.00 0.00 N ATOM 375 CA HIS A 117 4.163 -4.826 -6.864 1.00 0.00 C ATOM 376 C HIS A 117 5.353 -5.227 -7.738 1.00 0.00 C ATOM 377 O HIS A 117 5.208 -5.484 -8.917 1.00 0.00 O ATOM 378 CB HIS A 117 3.917 -3.322 -6.998 1.00 0.00 C ATOM 379 CG HIS A 117 3.837 -2.953 -8.454 1.00 0.00 C ATOM 380 ND1 HIS A 117 2.628 -2.735 -9.096 1.00 0.00 N ATOM 381 CD2 HIS A 117 4.807 -2.760 -9.405 1.00 0.00 C ATOM 382 CE1 HIS A 117 2.900 -2.426 -10.377 1.00 0.00 C ATOM 383 NE2 HIS A 117 4.213 -2.427 -10.619 1.00 0.00 N ATOM 0 H HIS A 117 4.897 -4.406 -4.906 1.00 0.00 H new ATOM 0 HA HIS A 117 3.276 -5.371 -7.187 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.992 -3.048 -6.491 1.00 0.00 H new ATOM 0 HB3 HIS A 117 4.721 -2.767 -6.515 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.870 -2.852 -9.237 1.00 0.00 H new ATOM 0 HE1 HIS A 117 2.148 -2.204 -11.119 1.00 0.00 H new ATOM 0 HE2 HIS A 117 4.680 -2.227 -11.503 1.00 0.00 H new ATOM 391 N CYS A 118 6.529 -5.289 -7.173 1.00 0.00 N ATOM 392 CA CYS A 118 7.718 -5.679 -7.982 1.00 0.00 C ATOM 393 C CYS A 118 8.467 -6.818 -7.283 1.00 0.00 C ATOM 394 O CYS A 118 9.409 -7.371 -7.816 1.00 0.00 O ATOM 395 CB CYS A 118 8.648 -4.474 -8.139 1.00 0.00 C ATOM 396 SG CYS A 118 9.129 -3.864 -6.506 1.00 0.00 S ATOM 0 H CYS A 118 6.717 -5.087 -6.191 1.00 0.00 H new ATOM 0 HA CYS A 118 7.390 -6.014 -8.966 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.533 -4.757 -8.708 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.147 -3.685 -8.700 1.00 0.00 H new ATOM 401 N GLY A 119 8.057 -7.179 -6.096 1.00 0.00 N ATOM 402 CA GLY A 119 8.748 -8.285 -5.373 1.00 0.00 C ATOM 403 C GLY A 119 10.219 -7.925 -5.163 1.00 0.00 C ATOM 404 O GLY A 119 11.108 -8.674 -5.517 1.00 0.00 O ATOM 0 H GLY A 119 7.274 -6.756 -5.597 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.266 -8.460 -4.411 1.00 0.00 H new ATOM 0 HA3 GLY A 119 8.668 -9.211 -5.943 1.00 0.00 H new ATOM 408 N SER A 120 10.485 -6.783 -4.590 1.00 0.00 N ATOM 409 CA SER A 120 11.901 -6.379 -4.358 1.00 0.00 C ATOM 410 C SER A 120 11.986 -5.511 -3.099 1.00 0.00 C ATOM 411 O SER A 120 11.215 -4.590 -2.916 1.00 0.00 O ATOM 412 CB SER A 120 12.406 -5.583 -5.561 1.00 0.00 C ATOM 413 OG SER A 120 12.055 -6.266 -6.757 1.00 0.00 O ATOM 0 H SER A 120 9.784 -6.113 -4.273 1.00 0.00 H new ATOM 0 HA SER A 120 12.516 -7.269 -4.226 1.00 0.00 H new ATOM 0 HB2 SER A 120 11.971 -4.583 -5.559 1.00 0.00 H new ATOM 0 HB3 SER A 120 13.488 -5.461 -5.503 1.00 0.00 H new ATOM 0 HG SER A 120 12.376 -5.757 -7.531 1.00 0.00 H new ATOM 419 N LEU A 121 12.919 -5.796 -2.231 1.00 0.00 N ATOM 420 CA LEU A 121 13.051 -4.985 -0.987 1.00 0.00 C ATOM 421 C LEU A 121 13.215 -3.509 -1.338 1.00 0.00 C ATOM 422 O LEU A 121 14.000 -3.144 -2.190 1.00 0.00 O ATOM 423 CB LEU A 121 14.270 -5.451 -0.191 1.00 0.00 C ATOM 424 CG LEU A 121 13.848 -6.527 0.808 1.00 0.00 C ATOM 425 CD1 LEU A 121 15.073 -7.341 1.226 1.00 0.00 C ATOM 426 CD2 LEU A 121 13.234 -5.857 2.041 1.00 0.00 C ATOM 0 H LEU A 121 13.594 -6.554 -2.329 1.00 0.00 H new ATOM 0 HA LEU A 121 12.150 -5.116 -0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.029 -5.845 -0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 121 14.718 -4.608 0.335 1.00 0.00 H new ATOM 0 HG LEU A 121 13.114 -7.188 0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 121 14.773 -8.109 1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 121 15.513 -7.813 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 121 15.807 -6.682 1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 121 12.931 -6.621 2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 121 13.970 -5.199 2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 121 12.363 -5.274 1.742 1.00 0.00 H new ATOM 438 N LEU A 122 12.483 -2.657 -0.677 1.00 0.00 N ATOM 439 CA LEU A 122 12.599 -1.201 -0.958 1.00 0.00 C ATOM 440 C LEU A 122 13.962 -0.703 -0.474 1.00 0.00 C ATOM 441 O LEU A 122 14.179 -0.504 0.704 1.00 0.00 O ATOM 442 CB LEU A 122 11.487 -0.450 -0.222 1.00 0.00 C ATOM 443 CG LEU A 122 10.146 -1.132 -0.499 1.00 0.00 C ATOM 444 CD1 LEU A 122 9.218 -0.943 0.702 1.00 0.00 C ATOM 445 CD2 LEU A 122 9.504 -0.509 -1.740 1.00 0.00 C ATOM 0 H LEU A 122 11.809 -2.907 0.046 1.00 0.00 H new ATOM 0 HA LEU A 122 12.505 -1.024 -2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 122 11.688 -0.439 0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 122 11.455 0.589 -0.551 1.00 0.00 H new ATOM 0 HG LEU A 122 10.309 -2.196 -0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.263 -1.429 0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 122 9.674 -1.386 1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 122 9.055 0.121 0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.548 -0.995 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 122 9.342 0.555 -1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 122 10.164 -0.643 -2.597 1.00 0.00 H new ATOM 457 N TYR A 123 14.886 -0.506 -1.376 1.00 0.00 N ATOM 458 CA TYR A 123 16.238 -0.029 -0.970 1.00 0.00 C ATOM 459 C TYR A 123 16.112 1.286 -0.198 1.00 0.00 C ATOM 460 O TYR A 123 15.063 1.615 0.321 1.00 0.00 O ATOM 461 CB TYR A 123 17.097 0.192 -2.216 1.00 0.00 C ATOM 462 CG TYR A 123 17.165 -1.088 -3.015 1.00 0.00 C ATOM 463 CD1 TYR A 123 17.533 -2.287 -2.390 1.00 0.00 C ATOM 464 CD2 TYR A 123 16.861 -1.076 -4.383 1.00 0.00 C ATOM 465 CE1 TYR A 123 17.598 -3.474 -3.132 1.00 0.00 C ATOM 466 CE2 TYR A 123 16.925 -2.263 -5.125 1.00 0.00 C ATOM 467 CZ TYR A 123 17.293 -3.461 -4.500 1.00 0.00 C ATOM 468 OH TYR A 123 17.357 -4.630 -5.232 1.00 0.00 O ATOM 0 H TYR A 123 14.762 -0.655 -2.377 1.00 0.00 H new ATOM 0 HA TYR A 123 16.707 -0.778 -0.332 1.00 0.00 H new ATOM 0 HB2 TYR A 123 16.674 0.991 -2.825 1.00 0.00 H new ATOM 0 HB3 TYR A 123 18.100 0.507 -1.928 1.00 0.00 H new ATOM 0 HD1 TYR A 123 17.767 -2.296 -1.336 1.00 0.00 H new ATOM 0 HD2 TYR A 123 16.577 -0.152 -4.865 1.00 0.00 H new ATOM 0 HE1 TYR A 123 17.883 -4.398 -2.650 1.00 0.00 H new ATOM 0 HE2 TYR A 123 16.690 -2.254 -6.179 1.00 0.00 H new ATOM 0 HH TYR A 123 17.114 -4.446 -6.164 1.00 0.00 H new ATOM 478 N GLY A 124 17.174 2.041 -0.116 1.00 0.00 N ATOM 479 CA GLY A 124 17.116 3.333 0.626 1.00 0.00 C ATOM 480 C GLY A 124 16.584 4.432 -0.295 1.00 0.00 C ATOM 481 O GLY A 124 17.110 5.526 -0.339 1.00 0.00 O ATOM 0 H GLY A 124 18.079 1.819 -0.531 1.00 0.00 H new ATOM 0 HA2 GLY A 124 16.472 3.233 1.499 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.108 3.599 0.991 1.00 0.00 H new ATOM 485 N LEU A 125 15.542 4.153 -1.030 1.00 0.00 N ATOM 486 CA LEU A 125 14.978 5.185 -1.944 1.00 0.00 C ATOM 487 C LEU A 125 13.659 5.704 -1.369 1.00 0.00 C ATOM 488 O LEU A 125 13.217 6.790 -1.686 1.00 0.00 O ATOM 489 CB LEU A 125 14.725 4.565 -3.321 1.00 0.00 C ATOM 490 CG LEU A 125 16.037 4.517 -4.106 1.00 0.00 C ATOM 491 CD1 LEU A 125 15.773 3.959 -5.506 1.00 0.00 C ATOM 492 CD2 LEU A 125 16.611 5.931 -4.224 1.00 0.00 C ATOM 0 H LEU A 125 15.058 3.255 -1.037 1.00 0.00 H new ATOM 0 HA LEU A 125 15.684 6.010 -2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 125 14.318 3.560 -3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 125 13.984 5.151 -3.865 1.00 0.00 H new ATOM 0 HG LEU A 125 16.749 3.876 -3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 125 16.707 3.924 -6.066 1.00 0.00 H new ATOM 0 HD12 LEU A 125 15.361 2.953 -5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 125 15.062 4.601 -6.026 1.00 0.00 H new ATOM 0 HD21 LEU A 125 17.546 5.899 -4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 125 15.899 6.571 -4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 125 16.798 6.332 -3.228 1.00 0.00 H new ATOM 504 N VAL A 126 13.030 4.936 -0.523 1.00 0.00 N ATOM 505 CA VAL A 126 11.741 5.383 0.077 1.00 0.00 C ATOM 506 C VAL A 126 11.778 5.144 1.586 1.00 0.00 C ATOM 507 O VAL A 126 12.228 4.115 2.048 1.00 0.00 O ATOM 508 CB VAL A 126 10.588 4.585 -0.536 1.00 0.00 C ATOM 509 CG1 VAL A 126 10.434 4.960 -2.011 1.00 0.00 C ATOM 510 CG2 VAL A 126 10.889 3.088 -0.422 1.00 0.00 C ATOM 0 H VAL A 126 13.353 4.017 -0.221 1.00 0.00 H new ATOM 0 HA VAL A 126 11.594 6.444 -0.123 1.00 0.00 H new ATOM 0 HB VAL A 126 9.665 4.814 -0.004 1.00 0.00 H new ATOM 0 HG11 VAL A 126 9.613 4.391 -2.447 1.00 0.00 H new ATOM 0 HG12 VAL A 126 10.222 6.026 -2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 126 11.357 4.730 -2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 126 10.069 2.518 -0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 126 11.812 2.861 -0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 126 11.000 2.818 0.628 1.00 0.00 H new ATOM 520 N HIS A 127 11.308 6.085 2.361 1.00 0.00 N ATOM 521 CA HIS A 127 11.317 5.906 3.841 1.00 0.00 C ATOM 522 C HIS A 127 10.705 4.548 4.189 1.00 0.00 C ATOM 523 O HIS A 127 9.512 4.426 4.369 1.00 0.00 O ATOM 524 CB HIS A 127 10.496 7.019 4.494 1.00 0.00 C ATOM 525 CG HIS A 127 11.162 7.450 5.772 1.00 0.00 C ATOM 526 ND1 HIS A 127 10.463 7.584 6.961 1.00 0.00 N ATOM 527 CD2 HIS A 127 12.463 7.781 6.061 1.00 0.00 C ATOM 528 CE1 HIS A 127 11.339 7.981 7.902 1.00 0.00 C ATOM 529 NE2 HIS A 127 12.572 8.116 7.407 1.00 0.00 N ATOM 0 H HIS A 127 10.919 6.969 2.033 1.00 0.00 H new ATOM 0 HA HIS A 127 12.342 5.949 4.209 1.00 0.00 H new ATOM 0 HB2 HIS A 127 10.407 7.866 3.814 1.00 0.00 H new ATOM 0 HB3 HIS A 127 9.485 6.667 4.699 1.00 0.00 H new ATOM 0 HD2 HIS A 127 13.277 7.781 5.352 1.00 0.00 H new ATOM 0 HE1 HIS A 127 11.077 8.168 8.933 1.00 0.00 H new ATOM 0 HE2 HIS A 127 13.413 8.403 7.908 1.00 0.00 H new ATOM 537 N GLN A 128 11.518 3.529 4.280 1.00 0.00 N ATOM 538 CA GLN A 128 10.993 2.171 4.609 1.00 0.00 C ATOM 539 C GLN A 128 10.141 1.656 3.442 1.00 0.00 C ATOM 540 O GLN A 128 10.615 0.918 2.602 1.00 0.00 O ATOM 541 CB GLN A 128 10.148 2.235 5.886 1.00 0.00 C ATOM 542 CG GLN A 128 9.715 0.823 6.283 1.00 0.00 C ATOM 543 CD GLN A 128 8.509 0.401 5.443 1.00 0.00 C ATOM 544 OE1 GLN A 128 8.526 -0.639 4.815 1.00 0.00 O ATOM 545 NE2 GLN A 128 7.455 1.169 5.402 1.00 0.00 N ATOM 0 H GLN A 128 12.527 3.579 4.140 1.00 0.00 H new ATOM 0 HA GLN A 128 11.828 1.490 4.773 1.00 0.00 H new ATOM 0 HB2 GLN A 128 10.723 2.691 6.692 1.00 0.00 H new ATOM 0 HB3 GLN A 128 9.272 2.863 5.724 1.00 0.00 H new ATOM 0 HG2 GLN A 128 10.538 0.124 6.133 1.00 0.00 H new ATOM 0 HG3 GLN A 128 9.461 0.794 7.343 1.00 0.00 H new ATOM 0 HE21 GLN A 128 7.440 2.042 5.929 1.00 0.00 H new ATOM 0 HE22 GLN A 128 6.647 0.896 4.843 1.00 0.00 H new ATOM 554 N GLY A 129 8.893 2.035 3.379 1.00 0.00 N ATOM 555 CA GLY A 129 8.027 1.561 2.264 1.00 0.00 C ATOM 556 C GLY A 129 6.626 2.156 2.414 1.00 0.00 C ATOM 557 O GLY A 129 6.229 2.568 3.486 1.00 0.00 O ATOM 0 H GLY A 129 8.437 2.652 4.051 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.457 1.854 1.306 1.00 0.00 H new ATOM 0 HA3 GLY A 129 7.973 0.472 2.269 1.00 0.00 H new ATOM 561 N MET A 130 5.873 2.202 1.350 1.00 0.00 N ATOM 562 CA MET A 130 4.498 2.769 1.436 1.00 0.00 C ATOM 563 C MET A 130 3.509 1.643 1.743 1.00 0.00 C ATOM 564 O MET A 130 3.220 0.813 0.906 1.00 0.00 O ATOM 565 CB MET A 130 4.127 3.428 0.104 1.00 0.00 C ATOM 566 CG MET A 130 5.389 3.960 -0.583 1.00 0.00 C ATOM 567 SD MET A 130 6.375 4.911 0.602 1.00 0.00 S ATOM 568 CE MET A 130 5.806 6.554 0.105 1.00 0.00 C ATOM 0 H MET A 130 6.150 1.872 0.426 1.00 0.00 H new ATOM 0 HA MET A 130 4.461 3.517 2.228 1.00 0.00 H new ATOM 0 HB2 MET A 130 3.627 2.706 -0.542 1.00 0.00 H new ATOM 0 HB3 MET A 130 3.424 4.243 0.275 1.00 0.00 H new ATOM 0 HG2 MET A 130 5.977 3.131 -0.977 1.00 0.00 H new ATOM 0 HG3 MET A 130 5.116 4.589 -1.431 1.00 0.00 H new ATOM 0 HE1 MET A 130 6.442 7.313 0.561 1.00 0.00 H new ATOM 0 HE2 MET A 130 5.855 6.643 -0.980 1.00 0.00 H new ATOM 0 HE3 MET A 130 4.777 6.698 0.435 1.00 0.00 H new ATOM 578 N LYS A 131 2.993 1.606 2.941 1.00 0.00 N ATOM 579 CA LYS A 131 2.030 0.529 3.303 1.00 0.00 C ATOM 580 C LYS A 131 0.599 1.017 3.084 1.00 0.00 C ATOM 581 O LYS A 131 0.205 2.058 3.571 1.00 0.00 O ATOM 582 CB LYS A 131 2.218 0.150 4.771 1.00 0.00 C ATOM 583 CG LYS A 131 1.457 -1.144 5.069 1.00 0.00 C ATOM 584 CD LYS A 131 0.375 -0.871 6.117 1.00 0.00 C ATOM 585 CE LYS A 131 0.862 -1.342 7.488 1.00 0.00 C ATOM 586 NZ LYS A 131 2.090 -0.587 7.866 1.00 0.00 N ATOM 0 H LYS A 131 3.197 2.275 3.684 1.00 0.00 H new ATOM 0 HA LYS A 131 2.213 -0.342 2.673 1.00 0.00 H new ATOM 0 HB2 LYS A 131 3.278 0.019 4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.856 0.953 5.413 1.00 0.00 H new ATOM 0 HG2 LYS A 131 1.004 -1.531 4.156 1.00 0.00 H new ATOM 0 HG3 LYS A 131 2.145 -1.908 5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 131 0.144 0.194 6.148 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -0.545 -1.389 5.848 1.00 0.00 H new ATOM 0 HE2 LYS A 131 0.083 -1.188 8.235 1.00 0.00 H new ATOM 0 HE3 LYS A 131 1.073 -2.411 7.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 2.276 -0.713 8.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 2.899 -0.944 7.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 1.953 0.424 7.662 1.00 0.00 H new ATOM 600 N CYS A 132 -0.182 0.268 2.360 1.00 0.00 N ATOM 601 CA CYS A 132 -1.590 0.681 2.112 1.00 0.00 C ATOM 602 C CYS A 132 -2.379 0.585 3.419 1.00 0.00 C ATOM 603 O CYS A 132 -2.444 -0.456 4.041 1.00 0.00 O ATOM 604 CB CYS A 132 -2.218 -0.242 1.063 1.00 0.00 C ATOM 605 SG CYS A 132 -4.005 0.041 0.995 1.00 0.00 S ATOM 0 H CYS A 132 0.094 -0.614 1.928 1.00 0.00 H new ATOM 0 HA CYS A 132 -1.612 1.707 1.746 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -1.773 -0.054 0.086 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -2.014 -1.283 1.312 1.00 0.00 H new ATOM 610 N SER A 133 -2.975 1.666 3.838 1.00 0.00 N ATOM 611 CA SER A 133 -3.760 1.641 5.105 1.00 0.00 C ATOM 612 C SER A 133 -5.177 1.137 4.821 1.00 0.00 C ATOM 613 O SER A 133 -6.149 1.692 5.293 1.00 0.00 O ATOM 614 CB SER A 133 -3.826 3.052 5.689 1.00 0.00 C ATOM 615 OG SER A 133 -3.378 3.024 7.038 1.00 0.00 O ATOM 0 H SER A 133 -2.953 2.566 3.359 1.00 0.00 H new ATOM 0 HA SER A 133 -3.277 0.974 5.819 1.00 0.00 H new ATOM 0 HB2 SER A 133 -3.207 3.730 5.102 1.00 0.00 H new ATOM 0 HB3 SER A 133 -4.847 3.431 5.641 1.00 0.00 H new ATOM 0 HG SER A 133 -3.418 3.928 7.415 1.00 0.00 H new ATOM 621 N CYS A 134 -5.301 0.089 4.054 1.00 0.00 N ATOM 622 CA CYS A 134 -6.654 -0.452 3.741 1.00 0.00 C ATOM 623 C CYS A 134 -6.563 -1.965 3.540 1.00 0.00 C ATOM 624 O CYS A 134 -7.426 -2.711 3.957 1.00 0.00 O ATOM 625 CB CYS A 134 -7.182 0.202 2.462 1.00 0.00 C ATOM 626 SG CYS A 134 -8.794 -0.507 2.044 1.00 0.00 S ATOM 0 H CYS A 134 -4.523 -0.417 3.630 1.00 0.00 H new ATOM 0 HA CYS A 134 -7.332 -0.235 4.566 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -7.272 1.279 2.602 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -6.480 0.044 1.643 1.00 0.00 H new ATOM 0 HG CYS A 134 -8.731 -1.067 0.873 1.00 0.00 H new ATOM 632 N CYS A 135 -5.521 -2.427 2.902 1.00 0.00 N ATOM 633 CA CYS A 135 -5.375 -3.892 2.674 1.00 0.00 C ATOM 634 C CYS A 135 -3.957 -4.333 3.051 1.00 0.00 C ATOM 635 O CYS A 135 -3.600 -5.486 2.914 1.00 0.00 O ATOM 636 CB CYS A 135 -5.634 -4.208 1.198 1.00 0.00 C ATOM 637 SG CYS A 135 -4.268 -3.571 0.192 1.00 0.00 S ATOM 0 H CYS A 135 -4.765 -1.852 2.529 1.00 0.00 H new ATOM 0 HA CYS A 135 -6.096 -4.427 3.292 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -5.731 -5.285 1.058 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -6.574 -3.759 0.879 1.00 0.00 H new ATOM 642 N GLU A 136 -3.144 -3.425 3.521 1.00 0.00 N ATOM 643 CA GLU A 136 -1.752 -3.798 3.900 1.00 0.00 C ATOM 644 C GLU A 136 -0.957 -4.134 2.638 1.00 0.00 C ATOM 645 O GLU A 136 -0.752 -5.286 2.308 1.00 0.00 O ATOM 646 CB GLU A 136 -1.782 -5.016 4.825 1.00 0.00 C ATOM 647 CG GLU A 136 -2.863 -4.825 5.891 1.00 0.00 C ATOM 648 CD GLU A 136 -2.977 -6.095 6.736 1.00 0.00 C ATOM 649 OE1 GLU A 136 -2.759 -7.165 6.193 1.00 0.00 O ATOM 650 OE2 GLU A 136 -3.280 -5.975 7.911 1.00 0.00 O ATOM 0 H GLU A 136 -3.384 -2.443 3.658 1.00 0.00 H new ATOM 0 HA GLU A 136 -1.279 -2.963 4.418 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -1.982 -5.919 4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -0.809 -5.149 5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -2.616 -3.974 6.526 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -3.820 -4.603 5.418 1.00 0.00 H new ATOM 657 N MET A 137 -0.510 -3.136 1.927 1.00 0.00 N ATOM 658 CA MET A 137 0.269 -3.397 0.683 1.00 0.00 C ATOM 659 C MET A 137 1.504 -2.493 0.652 1.00 0.00 C ATOM 660 O MET A 137 1.406 -1.297 0.464 1.00 0.00 O ATOM 661 CB MET A 137 -0.608 -3.102 -0.536 1.00 0.00 C ATOM 662 CG MET A 137 -0.168 -3.981 -1.708 1.00 0.00 C ATOM 663 SD MET A 137 -1.626 -4.729 -2.480 1.00 0.00 S ATOM 664 CE MET A 137 -0.962 -4.840 -4.160 1.00 0.00 C ATOM 0 H MET A 137 -0.650 -2.151 2.153 1.00 0.00 H new ATOM 0 HA MET A 137 0.583 -4.440 0.664 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.655 -3.292 -0.298 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.529 -2.049 -0.808 1.00 0.00 H new ATOM 0 HG2 MET A 137 0.379 -3.385 -2.439 1.00 0.00 H new ATOM 0 HG3 MET A 137 0.511 -4.759 -1.359 1.00 0.00 H new ATOM 0 HE1 MET A 137 -1.716 -5.266 -4.822 1.00 0.00 H new ATOM 0 HE2 MET A 137 -0.691 -3.844 -4.511 1.00 0.00 H new ATOM 0 HE3 MET A 137 -0.078 -5.477 -4.160 1.00 0.00 H new ATOM 674 N ASN A 138 2.668 -3.056 0.831 1.00 0.00 N ATOM 675 CA ASN A 138 3.907 -2.228 0.809 1.00 0.00 C ATOM 676 C ASN A 138 4.455 -2.179 -0.618 1.00 0.00 C ATOM 677 O ASN A 138 4.575 -3.190 -1.282 1.00 0.00 O ATOM 678 CB ASN A 138 4.953 -2.848 1.739 1.00 0.00 C ATOM 679 CG ASN A 138 4.709 -2.373 3.172 1.00 0.00 C ATOM 680 OD1 ASN A 138 4.409 -1.217 3.397 1.00 0.00 O ATOM 681 ND2 ASN A 138 4.825 -3.220 4.157 1.00 0.00 N ATOM 0 H ASN A 138 2.814 -4.053 0.991 1.00 0.00 H new ATOM 0 HA ASN A 138 3.678 -1.217 1.147 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.898 -3.936 1.691 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.955 -2.565 1.417 1.00 0.00 H new ATOM 0 HD21 ASN A 138 4.664 -2.912 5.116 1.00 0.00 H new ATOM 0 HD22 ASN A 138 5.077 -4.190 3.968 1.00 0.00 H new ATOM 688 N VAL A 139 4.786 -1.012 -1.100 1.00 0.00 N ATOM 689 CA VAL A 139 5.321 -0.907 -2.487 1.00 0.00 C ATOM 690 C VAL A 139 6.320 0.250 -2.567 1.00 0.00 C ATOM 691 O VAL A 139 6.469 1.022 -1.640 1.00 0.00 O ATOM 692 CB VAL A 139 4.169 -0.651 -3.458 1.00 0.00 C ATOM 693 CG1 VAL A 139 3.500 -1.979 -3.820 1.00 0.00 C ATOM 694 CG2 VAL A 139 3.143 0.271 -2.799 1.00 0.00 C ATOM 0 H VAL A 139 4.709 -0.129 -0.595 1.00 0.00 H new ATOM 0 HA VAL A 139 5.823 -1.837 -2.752 1.00 0.00 H new ATOM 0 HB VAL A 139 4.555 -0.180 -4.362 1.00 0.00 H new ATOM 0 HG11 VAL A 139 2.678 -1.796 -4.513 1.00 0.00 H new ATOM 0 HG12 VAL A 139 4.230 -2.638 -4.290 1.00 0.00 H new ATOM 0 HG13 VAL A 139 3.114 -2.450 -2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.321 0.454 -3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 139 2.758 -0.200 -1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 139 3.618 1.218 -2.541 1.00 0.00 H new ATOM 704 N HIS A 140 7.003 0.374 -3.672 1.00 0.00 N ATOM 705 CA HIS A 140 7.991 1.480 -3.820 1.00 0.00 C ATOM 706 C HIS A 140 7.250 2.795 -4.059 1.00 0.00 C ATOM 707 O HIS A 140 6.047 2.877 -3.918 1.00 0.00 O ATOM 708 CB HIS A 140 8.901 1.190 -5.016 1.00 0.00 C ATOM 709 CG HIS A 140 9.839 0.066 -4.674 1.00 0.00 C ATOM 710 ND1 HIS A 140 9.571 -1.250 -5.015 1.00 0.00 N ATOM 711 CD2 HIS A 140 11.046 0.047 -4.022 1.00 0.00 C ATOM 712 CE1 HIS A 140 10.596 -2.000 -4.570 1.00 0.00 C ATOM 713 NE2 HIS A 140 11.523 -1.259 -3.958 1.00 0.00 N ATOM 0 H HIS A 140 6.919 -0.243 -4.480 1.00 0.00 H new ATOM 0 HA HIS A 140 8.590 1.557 -2.912 1.00 0.00 H new ATOM 0 HB2 HIS A 140 8.301 0.925 -5.887 1.00 0.00 H new ATOM 0 HB3 HIS A 140 9.468 2.083 -5.280 1.00 0.00 H new ATOM 0 HD2 HIS A 140 11.549 0.914 -3.620 1.00 0.00 H new ATOM 0 HE1 HIS A 140 10.661 -3.071 -4.693 1.00 0.00 H new ATOM 0 HE2 HIS A 140 12.393 -1.581 -3.535 1.00 0.00 H new ATOM 720 N ARG A 141 7.960 3.827 -4.427 1.00 0.00 N ATOM 721 CA ARG A 141 7.296 5.135 -4.682 1.00 0.00 C ATOM 722 C ARG A 141 6.938 5.236 -6.166 1.00 0.00 C ATOM 723 O ARG A 141 6.075 5.995 -6.558 1.00 0.00 O ATOM 724 CB ARG A 141 8.248 6.272 -4.306 1.00 0.00 C ATOM 725 CG ARG A 141 7.653 7.073 -3.145 1.00 0.00 C ATOM 726 CD ARG A 141 8.108 8.530 -3.244 1.00 0.00 C ATOM 727 NE ARG A 141 7.478 9.168 -4.433 1.00 0.00 N ATOM 728 CZ ARG A 141 7.409 10.468 -4.516 1.00 0.00 C ATOM 729 NH1 ARG A 141 6.659 11.137 -3.685 1.00 0.00 N ATOM 730 NH2 ARG A 141 8.094 11.100 -5.431 1.00 0.00 N ATOM 0 H ARG A 141 8.971 3.820 -4.562 1.00 0.00 H new ATOM 0 HA ARG A 141 6.390 5.210 -4.081 1.00 0.00 H new ATOM 0 HB2 ARG A 141 9.220 5.868 -4.023 1.00 0.00 H new ATOM 0 HB3 ARG A 141 8.411 6.923 -5.165 1.00 0.00 H new ATOM 0 HG2 ARG A 141 6.565 7.018 -3.172 1.00 0.00 H new ATOM 0 HG3 ARG A 141 7.971 6.646 -2.194 1.00 0.00 H new ATOM 0 HD2 ARG A 141 7.831 9.071 -2.339 1.00 0.00 H new ATOM 0 HD3 ARG A 141 9.194 8.578 -3.325 1.00 0.00 H new ATOM 0 HE ARG A 141 7.100 8.588 -5.183 1.00 0.00 H new ATOM 0 HH11 ARG A 141 6.126 10.644 -2.969 1.00 0.00 H new ATOM 0 HH12 ARG A 141 6.606 12.153 -3.751 1.00 0.00 H new ATOM 0 HH21 ARG A 141 8.682 10.577 -6.080 1.00 0.00 H new ATOM 0 HH22 ARG A 141 8.041 12.116 -5.497 1.00 0.00 H new ATOM 744 N ARG A 142 7.596 4.470 -6.995 1.00 0.00 N ATOM 745 CA ARG A 142 7.294 4.515 -8.453 1.00 0.00 C ATOM 746 C ARG A 142 6.373 3.349 -8.819 1.00 0.00 C ATOM 747 O ARG A 142 5.899 3.247 -9.934 1.00 0.00 O ATOM 748 CB ARG A 142 8.598 4.405 -9.247 1.00 0.00 C ATOM 749 CG ARG A 142 9.656 5.316 -8.621 1.00 0.00 C ATOM 750 CD ARG A 142 10.494 5.959 -9.727 1.00 0.00 C ATOM 751 NE ARG A 142 10.952 7.306 -9.284 1.00 0.00 N ATOM 752 CZ ARG A 142 11.543 7.446 -8.129 1.00 0.00 C ATOM 753 NH1 ARG A 142 12.838 7.321 -8.039 1.00 0.00 N ATOM 754 NH2 ARG A 142 10.837 7.712 -7.064 1.00 0.00 N ATOM 0 H ARG A 142 8.330 3.815 -6.724 1.00 0.00 H new ATOM 0 HA ARG A 142 6.801 5.457 -8.694 1.00 0.00 H new ATOM 0 HB2 ARG A 142 8.948 3.373 -9.250 1.00 0.00 H new ATOM 0 HB3 ARG A 142 8.428 4.688 -10.286 1.00 0.00 H new ATOM 0 HG2 ARG A 142 9.177 6.087 -8.018 1.00 0.00 H new ATOM 0 HG3 ARG A 142 10.297 4.741 -7.952 1.00 0.00 H new ATOM 0 HD2 ARG A 142 11.353 5.329 -9.960 1.00 0.00 H new ATOM 0 HD3 ARG A 142 9.905 6.045 -10.640 1.00 0.00 H new ATOM 0 HE ARG A 142 10.804 8.118 -9.883 1.00 0.00 H new ATOM 0 HH11 ARG A 142 13.389 7.114 -8.872 1.00 0.00 H new ATOM 0 HH12 ARG A 142 13.299 7.431 -7.136 1.00 0.00 H new ATOM 0 HH21 ARG A 142 9.824 7.810 -7.135 1.00 0.00 H new ATOM 0 HH22 ARG A 142 11.298 7.822 -6.161 1.00 0.00 H new ATOM 768 N CYS A 143 6.114 2.469 -7.890 1.00 0.00 N ATOM 769 CA CYS A 143 5.224 1.312 -8.187 1.00 0.00 C ATOM 770 C CYS A 143 3.775 1.694 -7.878 1.00 0.00 C ATOM 771 O CYS A 143 2.846 1.021 -8.277 1.00 0.00 O ATOM 772 CB CYS A 143 5.633 0.118 -7.322 1.00 0.00 C ATOM 773 SG CYS A 143 7.309 -0.405 -7.766 1.00 0.00 S ATOM 0 H CYS A 143 6.480 2.502 -6.939 1.00 0.00 H new ATOM 0 HA CYS A 143 5.314 1.044 -9.240 1.00 0.00 H new ATOM 0 HB2 CYS A 143 5.593 0.389 -6.267 1.00 0.00 H new ATOM 0 HB3 CYS A 143 4.934 -0.705 -7.466 1.00 0.00 H new ATOM 778 N VAL A 144 3.576 2.772 -7.170 1.00 0.00 N ATOM 779 CA VAL A 144 2.188 3.199 -6.835 1.00 0.00 C ATOM 780 C VAL A 144 1.494 3.713 -8.098 1.00 0.00 C ATOM 781 O VAL A 144 0.337 3.432 -8.340 1.00 0.00 O ATOM 782 CB VAL A 144 2.237 4.316 -5.791 1.00 0.00 C ATOM 783 CG1 VAL A 144 0.820 4.820 -5.513 1.00 0.00 C ATOM 784 CG2 VAL A 144 2.850 3.777 -4.496 1.00 0.00 C ATOM 0 H VAL A 144 4.315 3.376 -6.809 1.00 0.00 H new ATOM 0 HA VAL A 144 1.633 2.350 -6.435 1.00 0.00 H new ATOM 0 HB VAL A 144 2.846 5.138 -6.168 1.00 0.00 H new ATOM 0 HG11 VAL A 144 0.856 5.616 -4.769 1.00 0.00 H new ATOM 0 HG12 VAL A 144 0.383 5.205 -6.435 1.00 0.00 H new ATOM 0 HG13 VAL A 144 0.209 3.999 -5.137 1.00 0.00 H new ATOM 0 HG21 VAL A 144 2.885 4.572 -3.752 1.00 0.00 H new ATOM 0 HG22 VAL A 144 2.241 2.955 -4.120 1.00 0.00 H new ATOM 0 HG23 VAL A 144 3.861 3.419 -4.693 1.00 0.00 H new ATOM 794 N ARG A 145 2.193 4.462 -8.906 1.00 0.00 N ATOM 795 CA ARG A 145 1.574 4.993 -10.153 1.00 0.00 C ATOM 796 C ARG A 145 1.542 3.894 -11.218 1.00 0.00 C ATOM 797 O ARG A 145 1.137 4.119 -12.342 1.00 0.00 O ATOM 798 CB ARG A 145 2.397 6.177 -10.666 1.00 0.00 C ATOM 799 CG ARG A 145 1.459 7.314 -11.074 1.00 0.00 C ATOM 800 CD ARG A 145 2.274 8.452 -11.692 1.00 0.00 C ATOM 801 NE ARG A 145 1.361 9.565 -12.077 1.00 0.00 N ATOM 802 CZ ARG A 145 1.318 9.974 -13.315 1.00 0.00 C ATOM 803 NH1 ARG A 145 2.144 10.896 -13.727 1.00 0.00 N ATOM 804 NH2 ARG A 145 0.448 9.461 -14.142 1.00 0.00 N ATOM 0 H ARG A 145 3.166 4.729 -8.756 1.00 0.00 H new ATOM 0 HA ARG A 145 0.556 5.321 -9.941 1.00 0.00 H new ATOM 0 HB2 ARG A 145 3.084 6.519 -9.892 1.00 0.00 H new ATOM 0 HB3 ARG A 145 3.004 5.869 -11.517 1.00 0.00 H new ATOM 0 HG2 ARG A 145 0.721 6.951 -11.789 1.00 0.00 H new ATOM 0 HG3 ARG A 145 0.910 7.676 -10.205 1.00 0.00 H new ATOM 0 HD2 ARG A 145 3.019 8.808 -10.980 1.00 0.00 H new ATOM 0 HD3 ARG A 145 2.815 8.092 -12.567 1.00 0.00 H new ATOM 0 HE ARG A 145 0.770 10.007 -11.373 1.00 0.00 H new ATOM 0 HH11 ARG A 145 2.824 11.297 -13.081 1.00 0.00 H new ATOM 0 HH12 ARG A 145 2.110 11.215 -14.695 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -0.198 8.740 -13.820 1.00 0.00 H new ATOM 0 HH22 ARG A 145 0.414 9.781 -15.110 1.00 0.00 H new ATOM 818 N SER A 146 1.968 2.708 -10.877 1.00 0.00 N ATOM 819 CA SER A 146 1.961 1.601 -11.873 1.00 0.00 C ATOM 820 C SER A 146 0.948 0.533 -11.449 1.00 0.00 C ATOM 821 O SER A 146 0.806 -0.489 -12.089 1.00 0.00 O ATOM 822 CB SER A 146 3.354 0.977 -11.951 1.00 0.00 C ATOM 823 OG SER A 146 4.323 2.007 -12.093 1.00 0.00 O ATOM 0 H SER A 146 2.320 2.459 -9.953 1.00 0.00 H new ATOM 0 HA SER A 146 1.683 1.996 -12.850 1.00 0.00 H new ATOM 0 HB2 SER A 146 3.555 0.394 -11.052 1.00 0.00 H new ATOM 0 HB3 SER A 146 3.410 0.290 -12.795 1.00 0.00 H new ATOM 0 HG SER A 146 4.704 2.221 -11.216 1.00 0.00 H new ATOM 829 N VAL A 147 0.242 0.762 -10.374 1.00 0.00 N ATOM 830 CA VAL A 147 -0.759 -0.242 -9.915 1.00 0.00 C ATOM 831 C VAL A 147 -2.169 0.234 -10.289 1.00 0.00 C ATOM 832 O VAL A 147 -2.481 1.401 -10.145 1.00 0.00 O ATOM 833 CB VAL A 147 -0.660 -0.399 -8.397 1.00 0.00 C ATOM 834 CG1 VAL A 147 -1.484 -1.609 -7.953 1.00 0.00 C ATOM 835 CG2 VAL A 147 0.803 -0.605 -7.999 1.00 0.00 C ATOM 0 H VAL A 147 0.315 1.599 -9.796 1.00 0.00 H new ATOM 0 HA VAL A 147 -0.561 -1.201 -10.395 1.00 0.00 H new ATOM 0 HB VAL A 147 -1.045 0.499 -7.914 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -1.413 -1.720 -6.871 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -2.527 -1.462 -8.235 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -1.100 -2.508 -8.436 1.00 0.00 H new ATOM 0 HG21 VAL A 147 0.873 -0.717 -6.917 1.00 0.00 H new ATOM 0 HG22 VAL A 147 1.189 -1.503 -8.482 1.00 0.00 H new ATOM 0 HG23 VAL A 147 1.391 0.258 -8.314 1.00 0.00 H new ATOM 845 N PRO A 148 -2.979 -0.682 -10.759 1.00 0.00 N ATOM 846 CA PRO A 148 -4.366 -0.386 -11.163 1.00 0.00 C ATOM 847 C PRO A 148 -5.289 -0.338 -9.939 1.00 0.00 C ATOM 848 O PRO A 148 -6.396 -0.837 -9.968 1.00 0.00 O ATOM 849 CB PRO A 148 -4.733 -1.566 -12.066 1.00 0.00 C ATOM 850 CG PRO A 148 -3.787 -2.727 -11.675 1.00 0.00 C ATOM 851 CD PRO A 148 -2.589 -2.095 -10.940 1.00 0.00 C ATOM 0 HA PRO A 148 -4.468 0.580 -11.658 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -5.776 -1.851 -11.927 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -4.611 -1.303 -13.117 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -4.299 -3.444 -11.034 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -3.455 -3.270 -12.560 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -2.406 -2.583 -9.983 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -1.672 -2.184 -11.523 1.00 0.00 H new ATOM 859 N SER A 149 -4.847 0.257 -8.863 1.00 0.00 N ATOM 860 CA SER A 149 -5.705 0.330 -7.647 1.00 0.00 C ATOM 861 C SER A 149 -6.359 -1.032 -7.400 1.00 0.00 C ATOM 862 O SER A 149 -7.537 -1.216 -7.631 1.00 0.00 O ATOM 863 CB SER A 149 -6.791 1.387 -7.855 1.00 0.00 C ATOM 864 OG SER A 149 -6.679 1.925 -9.166 1.00 0.00 O ATOM 0 H SER A 149 -3.930 0.695 -8.775 1.00 0.00 H new ATOM 0 HA SER A 149 -5.094 0.600 -6.786 1.00 0.00 H new ATOM 0 HB2 SER A 149 -7.777 0.944 -7.714 1.00 0.00 H new ATOM 0 HB3 SER A 149 -6.689 2.180 -7.114 1.00 0.00 H new ATOM 0 HG SER A 149 -7.375 2.601 -9.303 1.00 0.00 H new ATOM 870 N LEU A 150 -5.603 -1.986 -6.932 1.00 0.00 N ATOM 871 CA LEU A 150 -6.182 -3.334 -6.671 1.00 0.00 C ATOM 872 C LEU A 150 -6.597 -3.433 -5.201 1.00 0.00 C ATOM 873 O LEU A 150 -6.328 -4.414 -4.536 1.00 0.00 O ATOM 874 CB LEU A 150 -5.135 -4.408 -6.978 1.00 0.00 C ATOM 875 CG LEU A 150 -5.311 -4.897 -8.417 1.00 0.00 C ATOM 876 CD1 LEU A 150 -3.976 -4.797 -9.157 1.00 0.00 C ATOM 877 CD2 LEU A 150 -5.779 -6.353 -8.405 1.00 0.00 C ATOM 0 H LEU A 150 -4.610 -1.891 -6.719 1.00 0.00 H new ATOM 0 HA LEU A 150 -7.054 -3.485 -7.307 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -4.132 -4.003 -6.840 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -5.240 -5.242 -6.284 1.00 0.00 H new ATOM 0 HG LEU A 150 -6.053 -4.280 -8.923 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -4.101 -5.145 -10.182 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -3.641 -3.760 -9.165 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -3.233 -5.415 -8.652 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -5.905 -6.703 -9.430 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -5.036 -6.970 -7.899 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -6.730 -6.425 -7.877 1.00 0.00 H new ATOM 889 N CYS A 151 -7.250 -2.425 -4.690 1.00 0.00 N ATOM 890 CA CYS A 151 -7.680 -2.463 -3.264 1.00 0.00 C ATOM 891 C CYS A 151 -9.181 -2.748 -3.191 1.00 0.00 C ATOM 892 O CYS A 151 -9.996 -1.945 -3.600 1.00 0.00 O ATOM 893 CB CYS A 151 -7.384 -1.113 -2.606 1.00 0.00 C ATOM 894 SG CYS A 151 -7.134 -1.350 -0.830 1.00 0.00 S ATOM 0 H CYS A 151 -7.504 -1.578 -5.198 1.00 0.00 H new ATOM 0 HA CYS A 151 -7.136 -3.249 -2.741 1.00 0.00 H new ATOM 0 HB2 CYS A 151 -6.496 -0.666 -3.053 1.00 0.00 H new ATOM 0 HB3 CYS A 151 -8.210 -0.423 -2.779 1.00 0.00 H new ATOM 899 N GLY A 152 -9.553 -3.887 -2.673 1.00 0.00 N ATOM 900 CA GLY A 152 -11.002 -4.222 -2.575 1.00 0.00 C ATOM 901 C GLY A 152 -11.372 -5.217 -3.677 1.00 0.00 C ATOM 902 O GLY A 152 -12.059 -6.191 -3.441 1.00 0.00 O ATOM 0 H GLY A 152 -8.917 -4.599 -2.314 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -11.222 -4.649 -1.596 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -11.602 -3.317 -2.671 1.00 0.00 H new ATOM 906 N VAL A 153 -10.923 -4.980 -4.879 1.00 0.00 N ATOM 907 CA VAL A 153 -11.250 -5.912 -5.994 1.00 0.00 C ATOM 908 C VAL A 153 -10.206 -7.029 -6.048 1.00 0.00 C ATOM 909 O VAL A 153 -9.059 -6.804 -6.385 1.00 0.00 O ATOM 910 CB VAL A 153 -11.245 -5.144 -7.317 1.00 0.00 C ATOM 911 CG1 VAL A 153 -9.843 -4.591 -7.581 1.00 0.00 C ATOM 912 CG2 VAL A 153 -11.641 -6.088 -8.454 1.00 0.00 C ATOM 0 H VAL A 153 -10.344 -4.181 -5.137 1.00 0.00 H new ATOM 0 HA VAL A 153 -12.236 -6.345 -5.829 1.00 0.00 H new ATOM 0 HB VAL A 153 -11.956 -4.320 -7.262 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -9.839 -4.044 -8.524 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -9.558 -3.920 -6.771 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -9.131 -5.415 -7.637 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -11.638 -5.542 -9.398 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -10.928 -6.911 -8.508 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -12.639 -6.484 -8.267 1.00 0.00 H new ATOM 922 N ASP A 154 -10.591 -8.231 -5.719 1.00 0.00 N ATOM 923 CA ASP A 154 -9.619 -9.361 -5.753 1.00 0.00 C ATOM 924 C ASP A 154 -9.387 -9.790 -7.204 1.00 0.00 C ATOM 925 O ASP A 154 -9.674 -9.059 -8.130 1.00 0.00 O ATOM 926 CB ASP A 154 -10.179 -10.540 -4.955 1.00 0.00 C ATOM 927 CG ASP A 154 -9.092 -11.096 -4.034 1.00 0.00 C ATOM 928 OD1 ASP A 154 -7.964 -11.215 -4.486 1.00 0.00 O ATOM 929 OD2 ASP A 154 -9.404 -11.393 -2.893 1.00 0.00 O ATOM 0 H ASP A 154 -11.536 -8.480 -5.428 1.00 0.00 H new ATOM 0 HA ASP A 154 -8.674 -9.042 -5.313 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -11.039 -10.219 -4.367 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -10.529 -11.318 -5.633 1.00 0.00 H new ATOM 934 N HIS A 155 -8.869 -10.970 -7.407 1.00 0.00 N ATOM 935 CA HIS A 155 -8.621 -11.444 -8.798 1.00 0.00 C ATOM 936 C HIS A 155 -9.088 -12.894 -8.935 1.00 0.00 C ATOM 937 O HIS A 155 -8.291 -13.810 -9.001 1.00 0.00 O ATOM 938 CB HIS A 155 -7.124 -11.358 -9.105 1.00 0.00 C ATOM 939 CG HIS A 155 -6.339 -11.851 -7.921 1.00 0.00 C ATOM 940 ND1 HIS A 155 -6.002 -11.023 -6.862 1.00 0.00 N ATOM 941 CD2 HIS A 155 -5.818 -13.082 -7.614 1.00 0.00 C ATOM 942 CE1 HIS A 155 -5.308 -11.759 -5.975 1.00 0.00 C ATOM 943 NE2 HIS A 155 -5.167 -13.023 -6.385 1.00 0.00 N ATOM 0 H HIS A 155 -8.607 -11.626 -6.671 1.00 0.00 H new ATOM 0 HA HIS A 155 -9.173 -10.818 -9.499 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -6.888 -11.956 -9.985 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -6.848 -10.329 -9.335 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -5.900 -13.964 -8.232 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -4.913 -11.375 -5.046 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -4.686 -13.781 -5.901 1.00 0.00 H new ATOM 951 N THR A 156 -10.374 -13.111 -8.976 1.00 0.00 N ATOM 952 CA THR A 156 -10.891 -14.503 -9.108 1.00 0.00 C ATOM 953 C THR A 156 -10.183 -15.408 -8.098 1.00 0.00 C ATOM 954 O THR A 156 -9.166 -16.005 -8.391 1.00 0.00 O ATOM 955 CB THR A 156 -10.624 -15.014 -10.526 1.00 0.00 C ATOM 956 OG1 THR A 156 -9.336 -14.585 -10.947 1.00 0.00 O ATOM 957 CG2 THR A 156 -11.685 -14.460 -11.478 1.00 0.00 C ATOM 0 H THR A 156 -11.089 -12.385 -8.924 1.00 0.00 H new ATOM 0 HA THR A 156 -11.964 -14.512 -8.914 1.00 0.00 H new ATOM 0 HB THR A 156 -10.665 -16.103 -10.534 1.00 0.00 H new ATOM 0 HG1 THR A 156 -8.685 -14.758 -10.235 1.00 0.00 H new ATOM 0 HG21 THR A 156 -11.494 -14.824 -12.487 1.00 0.00 H new ATOM 0 HG22 THR A 156 -12.672 -14.789 -11.154 1.00 0.00 H new ATOM 0 HG23 THR A 156 -11.646 -13.371 -11.472 1.00 0.00 H new ATOM 965 N GLU A 157 -10.713 -15.514 -6.910 1.00 0.00 N ATOM 966 CA GLU A 157 -10.069 -16.380 -5.882 1.00 0.00 C ATOM 967 C GLU A 157 -10.788 -17.729 -5.827 1.00 0.00 C ATOM 968 O GLU A 157 -10.577 -18.519 -4.929 1.00 0.00 O ATOM 969 CB GLU A 157 -10.156 -15.700 -4.515 1.00 0.00 C ATOM 970 CG GLU A 157 -9.008 -14.699 -4.368 1.00 0.00 C ATOM 971 CD GLU A 157 -8.130 -15.101 -3.180 1.00 0.00 C ATOM 972 OE1 GLU A 157 -8.476 -14.745 -2.067 1.00 0.00 O ATOM 973 OE2 GLU A 157 -7.128 -15.758 -3.406 1.00 0.00 O ATOM 0 H GLU A 157 -11.563 -15.039 -6.607 1.00 0.00 H new ATOM 0 HA GLU A 157 -9.023 -16.537 -6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -11.113 -15.189 -4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -10.106 -16.446 -3.722 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -8.414 -14.674 -5.281 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -9.404 -13.695 -4.218 1.00 0.00 H new ATOM 980 N ARG A 158 -11.638 -17.998 -6.781 1.00 0.00 N ATOM 981 CA ARG A 158 -12.370 -19.297 -6.783 1.00 0.00 C ATOM 982 C ARG A 158 -12.655 -19.722 -8.225 1.00 0.00 C ATOM 983 O ARG A 158 -13.635 -19.318 -8.818 1.00 0.00 O ATOM 984 CB ARG A 158 -13.691 -19.137 -6.027 1.00 0.00 C ATOM 985 CG ARG A 158 -13.438 -18.426 -4.697 1.00 0.00 C ATOM 986 CD ARG A 158 -14.626 -18.653 -3.761 1.00 0.00 C ATOM 987 NE ARG A 158 -15.183 -17.337 -3.338 1.00 0.00 N ATOM 988 CZ ARG A 158 -14.825 -16.813 -2.197 1.00 0.00 C ATOM 989 NH1 ARG A 158 -15.434 -17.164 -1.098 1.00 0.00 N ATOM 990 NH2 ARG A 158 -13.858 -15.938 -2.157 1.00 0.00 N ATOM 0 H ARG A 158 -11.857 -17.375 -7.558 1.00 0.00 H new ATOM 0 HA ARG A 158 -11.761 -20.058 -6.295 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -14.398 -18.565 -6.628 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -14.140 -20.114 -5.849 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -12.524 -18.804 -4.239 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -13.293 -17.359 -4.865 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -15.394 -19.240 -4.266 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -14.311 -19.224 -2.888 1.00 0.00 H new ATOM 0 HE ARG A 158 -15.844 -16.846 -3.940 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -16.190 -17.848 -1.130 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -15.154 -16.754 -0.207 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -13.382 -15.664 -3.017 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -13.578 -15.528 -1.266 1.00 0.00 H new ATOM 1004 N ARG A 159 -11.807 -20.534 -8.793 1.00 0.00 N ATOM 1005 CA ARG A 159 -12.030 -20.984 -10.196 1.00 0.00 C ATOM 1006 C ARG A 159 -12.622 -22.395 -10.190 1.00 0.00 C ATOM 1007 O ARG A 159 -12.258 -23.165 -9.317 1.00 0.00 O ATOM 1008 CB ARG A 159 -10.696 -20.993 -10.947 1.00 0.00 C ATOM 1009 CG ARG A 159 -9.731 -21.961 -10.259 1.00 0.00 C ATOM 1010 CD ARG A 159 -8.332 -21.342 -10.220 1.00 0.00 C ATOM 1011 NE ARG A 159 -7.499 -21.930 -11.308 1.00 0.00 N ATOM 1012 CZ ARG A 159 -6.395 -22.560 -11.016 1.00 0.00 C ATOM 1013 NH1 ARG A 159 -6.437 -23.667 -10.328 1.00 0.00 N ATOM 1014 NH2 ARG A 159 -5.247 -22.083 -11.413 1.00 0.00 N ATOM 1015 OXT ARG A 159 -13.428 -22.681 -11.060 1.00 0.00 O ATOM 0 H ARG A 159 -10.969 -20.906 -8.346 1.00 0.00 H new ATOM 0 HA ARG A 159 -12.721 -20.302 -10.692 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -10.852 -21.293 -11.983 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -10.270 -19.990 -10.966 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -10.074 -22.176 -9.247 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -9.706 -22.910 -10.795 1.00 0.00 H new ATOM 0 HD2 ARG A 159 -8.397 -20.261 -10.341 1.00 0.00 H new ATOM 0 HD3 ARG A 159 -7.868 -21.527 -9.251 1.00 0.00 H new ATOM 0 HE ARG A 159 -7.793 -21.840 -12.281 1.00 0.00 H new ATOM 0 HH11 ARG A 159 -7.334 -24.041 -10.018 1.00 0.00 H new ATOM 0 HH12 ARG A 159 -5.573 -24.159 -10.100 1.00 0.00 H new ATOM 0 HH21 ARG A 159 -5.213 -21.217 -11.952 1.00 0.00 H new ATOM 0 HH22 ARG A 159 -4.384 -22.576 -11.185 1.00 0.00 H new TER 1029 ARG A 159 HETATM 1030 ZN ZN A 1 -4.863 -1.468 -0.512 1.00 0.00 ZN HETATM 1031 ZN ZN A 2 8.036 -1.871 -6.144 1.00 0.00 ZN