USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=20 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 110 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 111 SER OG : rot 21:sc= 0.445 USER MOD Set 2.1: A 108 SER OG : rot -112:sc= 1.29 USER MOD Set 2.2: A 127 HIS :FLIP no HE2:sc= 0.115 F(o=-8.8,f=-1) USER MOD Set 2.3: A 128 GLN : amide:sc= -2.41 K(o=-1,f=-12!) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.375 X(o=-0.37,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 161:sc= -0.0204 (180deg=-0.22) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HE2:sc= -0.362 K(o=-0.36,f=-1.5) USER MOD Single : A 109 TYR OH : rot 1:sc= -2.6! USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 HIS :FLIP no HD1:sc= -0.428 F(o=-1.8,f=-0.43) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 MET CE :methyl 159:sc= -0.958 (180deg=-1.73!) USER MOD Single : A 131 LYS NZ :NH3+ 151:sc= -0.51 (180deg=-2.03!) USER MOD Single : A 133 SER OG : rot 80:sc= 0.387 USER MOD Single : A 134 CYS SG : rot 180:sc=-0.00178 USER MOD Single : A 137 MET CE :methyl -124:sc= -0.197 (180deg=-2.06!) USER MOD Single : A 138 ASN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 149 SER OG : rot 180:sc= -0.481 USER MOD Single : A 155 HIS : no HD1:sc= -2.84! C(o=-2.8!,f=-4.4!) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 94 -22.295 13.884 -8.520 1.00 0.00 N ATOM 2 CA GLN A 94 -22.897 13.322 -7.278 1.00 0.00 C ATOM 3 C GLN A 94 -22.298 14.024 -6.058 1.00 0.00 C ATOM 4 O GLN A 94 -22.968 14.763 -5.364 1.00 0.00 O ATOM 5 CB GLN A 94 -22.598 11.823 -7.200 1.00 0.00 C ATOM 6 CG GLN A 94 -23.526 11.066 -8.152 1.00 0.00 C ATOM 7 CD GLN A 94 -24.352 10.050 -7.361 1.00 0.00 C ATOM 8 OE1 GLN A 94 -23.806 9.182 -6.709 1.00 0.00 O ATOM 9 NE2 GLN A 94 -25.655 10.123 -7.389 1.00 0.00 N ATOM 0 HA GLN A 94 -23.976 13.478 -7.294 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -21.557 11.635 -7.464 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -22.737 11.466 -6.179 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -24.186 11.765 -8.666 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -22.941 10.557 -8.918 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -26.113 10.852 -7.936 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -26.215 9.451 -6.864 1.00 0.00 H new ATOM 20 N THR A 95 -21.041 13.800 -5.790 1.00 0.00 N ATOM 21 CA THR A 95 -20.402 14.455 -4.615 1.00 0.00 C ATOM 22 C THR A 95 -18.922 14.706 -4.912 1.00 0.00 C ATOM 23 O THR A 95 -18.398 14.265 -5.917 1.00 0.00 O ATOM 24 CB THR A 95 -20.529 13.546 -3.391 1.00 0.00 C ATOM 25 OG1 THR A 95 -19.927 12.289 -3.673 1.00 0.00 O ATOM 26 CG2 THR A 95 -22.006 13.342 -3.055 1.00 0.00 C ATOM 0 H THR A 95 -20.429 13.192 -6.334 1.00 0.00 H new ATOM 0 HA THR A 95 -20.899 15.404 -4.415 1.00 0.00 H new ATOM 0 HB THR A 95 -20.027 14.008 -2.541 1.00 0.00 H new ATOM 0 HG1 THR A 95 -20.006 11.706 -2.890 1.00 0.00 H new ATOM 0 HG21 THR A 95 -22.095 12.694 -2.183 1.00 0.00 H new ATOM 0 HG22 THR A 95 -22.467 14.306 -2.839 1.00 0.00 H new ATOM 0 HG23 THR A 95 -22.512 12.880 -3.903 1.00 0.00 H new ATOM 34 N ASP A 96 -18.244 15.410 -4.048 1.00 0.00 N ATOM 35 CA ASP A 96 -16.799 15.688 -4.283 1.00 0.00 C ATOM 36 C ASP A 96 -15.964 14.986 -3.210 1.00 0.00 C ATOM 37 O ASP A 96 -15.463 15.607 -2.295 1.00 0.00 O ATOM 38 CB ASP A 96 -16.554 17.196 -4.215 1.00 0.00 C ATOM 39 CG ASP A 96 -16.623 17.789 -5.624 1.00 0.00 C ATOM 40 OD1 ASP A 96 -17.547 17.447 -6.344 1.00 0.00 O ATOM 41 OD2 ASP A 96 -15.753 18.575 -5.958 1.00 0.00 O ATOM 0 H ASP A 96 -18.628 15.805 -3.189 1.00 0.00 H new ATOM 0 HA ASP A 96 -16.512 15.317 -5.267 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -17.299 17.667 -3.574 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -15.579 17.397 -3.772 1.00 0.00 H new ATOM 46 N ASP A 97 -15.811 13.694 -3.315 1.00 0.00 N ATOM 47 CA ASP A 97 -15.008 12.954 -2.301 1.00 0.00 C ATOM 48 C ASP A 97 -14.460 11.667 -2.923 1.00 0.00 C ATOM 49 O ASP A 97 -14.957 10.591 -2.655 1.00 0.00 O ATOM 50 CB ASP A 97 -15.896 12.606 -1.104 1.00 0.00 C ATOM 51 CG ASP A 97 -15.049 12.581 0.170 1.00 0.00 C ATOM 52 OD1 ASP A 97 -14.321 11.620 0.356 1.00 0.00 O ATOM 53 OD2 ASP A 97 -15.144 13.524 0.938 1.00 0.00 O ATOM 0 H ASP A 97 -16.207 13.119 -4.059 1.00 0.00 H new ATOM 0 HA ASP A 97 -14.178 13.577 -1.969 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -16.697 13.339 -1.007 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -16.369 11.636 -1.258 1.00 0.00 H new ATOM 58 N PRO A 98 -13.447 11.820 -3.737 1.00 0.00 N ATOM 59 CA PRO A 98 -12.800 10.686 -4.420 1.00 0.00 C ATOM 60 C PRO A 98 -11.866 9.946 -3.458 1.00 0.00 C ATOM 61 O PRO A 98 -11.135 10.551 -2.698 1.00 0.00 O ATOM 62 CB PRO A 98 -12.005 11.353 -5.547 1.00 0.00 C ATOM 63 CG PRO A 98 -11.783 12.822 -5.114 1.00 0.00 C ATOM 64 CD PRO A 98 -12.855 13.135 -4.053 1.00 0.00 C ATOM 0 HA PRO A 98 -13.509 9.944 -4.786 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -11.053 10.846 -5.703 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -12.551 11.304 -6.489 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -10.782 12.958 -4.705 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -11.874 13.495 -5.967 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -12.417 13.597 -3.169 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -13.605 13.827 -4.436 1.00 0.00 H new ATOM 72 N ARG A 99 -11.884 8.641 -3.484 1.00 0.00 N ATOM 73 CA ARG A 99 -10.998 7.866 -2.570 1.00 0.00 C ATOM 74 C ARG A 99 -11.013 6.391 -2.976 1.00 0.00 C ATOM 75 O ARG A 99 -10.968 5.507 -2.143 1.00 0.00 O ATOM 76 CB ARG A 99 -11.503 8.003 -1.132 1.00 0.00 C ATOM 77 CG ARG A 99 -12.937 7.477 -1.040 1.00 0.00 C ATOM 78 CD ARG A 99 -13.126 6.735 0.284 1.00 0.00 C ATOM 79 NE ARG A 99 -13.566 5.338 0.011 1.00 0.00 N ATOM 80 CZ ARG A 99 -14.730 4.926 0.433 1.00 0.00 C ATOM 81 NH1 ARG A 99 -15.153 5.269 1.620 1.00 0.00 N ATOM 82 NH2 ARG A 99 -15.472 4.173 -0.330 1.00 0.00 N ATOM 0 H ARG A 99 -12.473 8.079 -4.098 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.981 8.252 -2.636 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.856 7.446 -0.454 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.467 9.047 -0.821 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -13.644 8.304 -1.109 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -13.145 6.809 -1.876 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.193 6.730 0.847 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -13.866 7.248 0.898 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.957 4.703 -0.506 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -14.574 5.859 2.217 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -16.063 4.947 1.950 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -15.143 3.905 -1.258 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -16.382 3.851 0.001 1.00 0.00 H new ATOM 96 N ASN A 100 -11.076 6.117 -4.251 1.00 0.00 N ATOM 97 CA ASN A 100 -11.093 4.699 -4.708 1.00 0.00 C ATOM 98 C ASN A 100 -9.665 4.247 -5.023 1.00 0.00 C ATOM 99 O ASN A 100 -9.434 3.478 -5.934 1.00 0.00 O ATOM 100 CB ASN A 100 -11.956 4.580 -5.966 1.00 0.00 C ATOM 101 CG ASN A 100 -13.434 4.582 -5.573 1.00 0.00 C ATOM 102 OD1 ASN A 100 -14.137 3.619 -5.804 1.00 0.00 O ATOM 103 ND2 ASN A 100 -13.938 5.632 -4.985 1.00 0.00 N ATOM 0 H ASN A 100 -11.116 6.814 -4.995 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.508 4.068 -3.922 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -11.748 5.409 -6.643 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -11.712 3.662 -6.502 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -14.923 5.644 -4.719 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -13.347 6.441 -4.791 1.00 0.00 H new ATOM 110 N LYS A 101 -8.705 4.718 -4.274 1.00 0.00 N ATOM 111 CA LYS A 101 -7.294 4.315 -4.530 1.00 0.00 C ATOM 112 C LYS A 101 -6.689 3.739 -3.248 1.00 0.00 C ATOM 113 O LYS A 101 -7.319 3.718 -2.209 1.00 0.00 O ATOM 114 CB LYS A 101 -6.487 5.538 -4.973 1.00 0.00 C ATOM 115 CG LYS A 101 -7.332 6.393 -5.919 1.00 0.00 C ATOM 116 CD LYS A 101 -6.414 7.205 -6.834 1.00 0.00 C ATOM 117 CE LYS A 101 -7.208 8.344 -7.474 1.00 0.00 C ATOM 118 NZ LYS A 101 -7.426 9.423 -6.470 1.00 0.00 N ATOM 0 H LYS A 101 -8.838 5.364 -3.496 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.267 3.559 -5.315 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.189 6.125 -4.104 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -5.571 5.221 -5.472 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.986 5.756 -6.515 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.974 7.061 -5.346 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.577 7.607 -6.263 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -5.993 6.562 -7.607 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -6.669 8.738 -8.336 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.166 7.973 -7.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.667 10.309 -6.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.205 9.155 -5.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.558 9.560 -5.913 1.00 0.00 H new ATOM 132 N HIS A 102 -5.472 3.271 -3.311 1.00 0.00 N ATOM 133 CA HIS A 102 -4.831 2.697 -2.093 1.00 0.00 C ATOM 134 C HIS A 102 -4.541 3.815 -1.091 1.00 0.00 C ATOM 135 O HIS A 102 -4.260 4.938 -1.462 1.00 0.00 O ATOM 136 CB HIS A 102 -3.505 2.031 -2.469 1.00 0.00 C ATOM 137 CG HIS A 102 -3.740 0.917 -3.450 1.00 0.00 C ATOM 138 ND1 HIS A 102 -4.039 -0.373 -3.044 1.00 0.00 N ATOM 139 CD2 HIS A 102 -3.694 0.880 -4.820 1.00 0.00 C ATOM 140 CE1 HIS A 102 -4.158 -1.129 -4.152 1.00 0.00 C ATOM 141 NE2 HIS A 102 -3.959 -0.413 -5.263 1.00 0.00 N ATOM 0 H HIS A 102 -4.894 3.261 -4.152 1.00 0.00 H new ATOM 0 HA HIS A 102 -5.506 1.963 -1.654 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -2.829 2.769 -2.902 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -3.020 1.641 -1.574 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -3.484 1.725 -5.458 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -4.386 -2.185 -4.144 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -3.994 -0.743 -6.228 1.00 0.00 H new ATOM 148 N LYS A 103 -4.576 3.512 0.177 1.00 0.00 N ATOM 149 CA LYS A 103 -4.270 4.549 1.201 1.00 0.00 C ATOM 150 C LYS A 103 -2.772 4.492 1.502 1.00 0.00 C ATOM 151 O LYS A 103 -2.346 4.589 2.636 1.00 0.00 O ATOM 152 CB LYS A 103 -5.066 4.269 2.477 1.00 0.00 C ATOM 153 CG LYS A 103 -6.373 5.065 2.451 1.00 0.00 C ATOM 154 CD LYS A 103 -6.255 6.272 3.384 1.00 0.00 C ATOM 155 CE LYS A 103 -7.094 7.426 2.834 1.00 0.00 C ATOM 156 NZ LYS A 103 -7.963 7.970 3.916 1.00 0.00 N ATOM 0 H LYS A 103 -4.804 2.590 0.548 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.544 5.537 0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.279 3.203 2.558 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.478 4.544 3.352 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.589 5.397 1.435 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.203 4.431 2.762 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.595 6.006 4.385 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.212 6.576 3.472 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.443 8.210 2.447 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.706 7.080 2.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.533 8.755 3.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.593 7.220 4.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.370 8.315 4.697 1.00 0.00 H new ATOM 170 N PHE A 104 -1.975 4.318 0.483 1.00 0.00 N ATOM 171 CA PHE A 104 -0.501 4.230 0.672 1.00 0.00 C ATOM 172 C PHE A 104 -0.035 5.245 1.716 1.00 0.00 C ATOM 173 O PHE A 104 -0.432 6.394 1.705 1.00 0.00 O ATOM 174 CB PHE A 104 0.196 4.517 -0.659 1.00 0.00 C ATOM 175 CG PHE A 104 0.125 3.292 -1.539 1.00 0.00 C ATOM 176 CD1 PHE A 104 0.602 2.063 -1.066 1.00 0.00 C ATOM 177 CD2 PHE A 104 -0.415 3.384 -2.829 1.00 0.00 C ATOM 178 CE1 PHE A 104 0.540 0.926 -1.881 1.00 0.00 C ATOM 179 CE2 PHE A 104 -0.477 2.248 -3.645 1.00 0.00 C ATOM 180 CZ PHE A 104 0.001 1.018 -3.171 1.00 0.00 C ATOM 0 H PHE A 104 -2.288 4.232 -0.484 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.248 3.228 1.018 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.279 5.363 -1.156 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.236 4.793 -0.485 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.018 1.992 -0.072 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.783 4.331 -3.194 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.908 -0.021 -1.515 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -0.893 2.319 -4.639 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.046 0.142 -3.800 1.00 0.00 H new ATOM 190 N ARG A 105 0.816 4.827 2.611 1.00 0.00 N ATOM 191 CA ARG A 105 1.330 5.755 3.653 1.00 0.00 C ATOM 192 C ARG A 105 2.739 5.317 4.053 1.00 0.00 C ATOM 193 O ARG A 105 2.919 4.333 4.743 1.00 0.00 O ATOM 194 CB ARG A 105 0.413 5.709 4.879 1.00 0.00 C ATOM 195 CG ARG A 105 -0.210 7.088 5.103 1.00 0.00 C ATOM 196 CD ARG A 105 -0.417 7.320 6.601 1.00 0.00 C ATOM 197 NE ARG A 105 -0.599 8.776 6.857 1.00 0.00 N ATOM 198 CZ ARG A 105 -0.248 9.286 8.006 1.00 0.00 C ATOM 199 NH1 ARG A 105 -0.152 8.520 9.058 1.00 0.00 N ATOM 200 NH2 ARG A 105 0.007 10.563 8.102 1.00 0.00 N ATOM 0 H ARG A 105 1.179 3.875 2.664 1.00 0.00 H new ATOM 0 HA ARG A 105 1.355 6.772 3.262 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -0.369 4.964 4.733 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.980 5.407 5.759 1.00 0.00 H new ATOM 0 HG2 ARG A 105 0.437 7.862 4.691 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -1.163 7.157 4.579 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -1.290 6.767 6.948 1.00 0.00 H new ATOM 0 HD3 ARG A 105 0.441 6.946 7.160 1.00 0.00 H new ATOM 0 HE ARG A 105 -0.998 9.375 6.134 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -0.351 7.523 8.982 1.00 0.00 H new ATOM 0 HH12 ARG A 105 0.122 8.919 9.956 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -0.068 11.161 7.279 1.00 0.00 H new ATOM 0 HH22 ARG A 105 0.281 10.962 9.000 1.00 0.00 H new ATOM 214 N LEU A 106 3.744 6.032 3.624 1.00 0.00 N ATOM 215 CA LEU A 106 5.130 5.639 3.986 1.00 0.00 C ATOM 216 C LEU A 106 5.223 5.490 5.504 1.00 0.00 C ATOM 217 O LEU A 106 4.963 6.414 6.250 1.00 0.00 O ATOM 218 CB LEU A 106 6.116 6.704 3.494 1.00 0.00 C ATOM 219 CG LEU A 106 6.021 7.951 4.374 1.00 0.00 C ATOM 220 CD1 LEU A 106 6.949 9.035 3.824 1.00 0.00 C ATOM 221 CD2 LEU A 106 4.583 8.469 4.381 1.00 0.00 C ATOM 0 H LEU A 106 3.663 6.866 3.042 1.00 0.00 H new ATOM 0 HA LEU A 106 5.382 4.689 3.514 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.132 6.309 3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.898 6.963 2.458 1.00 0.00 H new ATOM 0 HG LEU A 106 6.318 7.697 5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.882 9.924 4.451 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.976 8.669 3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.652 9.286 2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.519 9.358 5.009 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.282 8.721 3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.921 7.698 4.775 1.00 0.00 H new ATOM 233 N HIS A 107 5.574 4.324 5.971 1.00 0.00 N ATOM 234 CA HIS A 107 5.668 4.110 7.443 1.00 0.00 C ATOM 235 C HIS A 107 7.137 4.088 7.870 1.00 0.00 C ATOM 236 O HIS A 107 8.033 4.206 7.058 1.00 0.00 O ATOM 237 CB HIS A 107 5.015 2.777 7.806 1.00 0.00 C ATOM 238 CG HIS A 107 3.961 3.004 8.855 1.00 0.00 C ATOM 239 ND1 HIS A 107 4.090 2.519 10.148 1.00 0.00 N ATOM 240 CD2 HIS A 107 2.756 3.659 8.819 1.00 0.00 C ATOM 241 CE1 HIS A 107 2.990 2.888 10.830 1.00 0.00 C ATOM 242 NE2 HIS A 107 2.145 3.586 10.067 1.00 0.00 N ATOM 0 H HIS A 107 5.800 3.511 5.398 1.00 0.00 H new ATOM 0 HA HIS A 107 5.155 4.922 7.958 1.00 0.00 H new ATOM 0 HB2 HIS A 107 4.570 2.325 6.920 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.767 2.080 8.176 1.00 0.00 H new ATOM 0 HD1 HIS A 107 4.875 1.981 10.515 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.344 4.156 7.953 1.00 0.00 H new ATOM 0 HE1 HIS A 107 2.812 2.649 11.868 1.00 0.00 H new ATOM 250 N SER A 108 7.388 3.935 9.142 1.00 0.00 N ATOM 251 CA SER A 108 8.796 3.902 9.627 1.00 0.00 C ATOM 252 C SER A 108 8.930 2.835 10.717 1.00 0.00 C ATOM 253 O SER A 108 9.087 3.142 11.882 1.00 0.00 O ATOM 254 CB SER A 108 9.168 5.268 10.205 1.00 0.00 C ATOM 255 OG SER A 108 8.429 6.279 9.533 1.00 0.00 O ATOM 0 H SER A 108 6.677 3.831 9.866 1.00 0.00 H new ATOM 0 HA SER A 108 9.463 3.665 8.798 1.00 0.00 H new ATOM 0 HB2 SER A 108 8.954 5.294 11.273 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.237 5.446 10.090 1.00 0.00 H new ATOM 0 HG SER A 108 9.039 6.831 9.000 1.00 0.00 H new ATOM 261 N TYR A 109 8.870 1.585 10.349 1.00 0.00 N ATOM 262 CA TYR A 109 8.994 0.501 11.366 1.00 0.00 C ATOM 263 C TYR A 109 10.450 0.402 11.821 1.00 0.00 C ATOM 264 O TYR A 109 10.741 0.303 12.996 1.00 0.00 O ATOM 265 CB TYR A 109 8.565 -0.838 10.755 1.00 0.00 C ATOM 266 CG TYR A 109 7.521 -0.606 9.687 1.00 0.00 C ATOM 267 CD1 TYR A 109 6.186 -0.383 10.046 1.00 0.00 C ATOM 268 CD2 TYR A 109 7.891 -0.617 8.335 1.00 0.00 C ATOM 269 CE1 TYR A 109 5.219 -0.170 9.054 1.00 0.00 C ATOM 270 CE2 TYR A 109 6.924 -0.405 7.343 1.00 0.00 C ATOM 271 CZ TYR A 109 5.589 -0.181 7.703 1.00 0.00 C ATOM 272 OH TYR A 109 4.637 0.028 6.726 1.00 0.00 O ATOM 0 H TYR A 109 8.741 1.267 9.389 1.00 0.00 H new ATOM 0 HA TYR A 109 8.353 0.731 12.217 1.00 0.00 H new ATOM 0 HB2 TYR A 109 9.429 -1.346 10.327 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.165 -1.490 11.531 1.00 0.00 H new ATOM 0 HD1 TYR A 109 5.901 -0.375 11.088 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.921 -0.789 8.058 1.00 0.00 H new ATOM 0 HE1 TYR A 109 4.189 0.002 9.331 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.208 -0.414 6.301 1.00 0.00 H new ATOM 0 HH TYR A 109 3.765 0.181 7.146 1.00 0.00 H new ATOM 282 N SER A 110 11.366 0.426 10.893 1.00 0.00 N ATOM 283 CA SER A 110 12.809 0.329 11.252 1.00 0.00 C ATOM 284 C SER A 110 13.600 -0.069 10.007 1.00 0.00 C ATOM 285 O SER A 110 14.772 0.224 9.878 1.00 0.00 O ATOM 286 CB SER A 110 12.998 -0.731 12.338 1.00 0.00 C ATOM 287 OG SER A 110 14.269 -1.347 12.177 1.00 0.00 O ATOM 0 H SER A 110 11.176 0.509 9.894 1.00 0.00 H new ATOM 0 HA SER A 110 13.163 1.290 11.626 1.00 0.00 H new ATOM 0 HB2 SER A 110 12.925 -0.274 13.325 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.208 -1.479 12.274 1.00 0.00 H new ATOM 0 HG SER A 110 14.394 -2.026 12.873 1.00 0.00 H new ATOM 293 N SER A 111 12.960 -0.734 9.086 1.00 0.00 N ATOM 294 CA SER A 111 13.656 -1.154 7.839 1.00 0.00 C ATOM 295 C SER A 111 12.630 -1.249 6.706 1.00 0.00 C ATOM 296 O SER A 111 11.442 -1.319 6.954 1.00 0.00 O ATOM 297 CB SER A 111 14.309 -2.520 8.054 1.00 0.00 C ATOM 298 OG SER A 111 15.540 -2.347 8.744 1.00 0.00 O ATOM 0 H SER A 111 11.979 -1.006 9.145 1.00 0.00 H new ATOM 0 HA SER A 111 14.425 -0.426 7.581 1.00 0.00 H new ATOM 0 HB2 SER A 111 13.645 -3.167 8.627 1.00 0.00 H new ATOM 0 HB3 SER A 111 14.482 -3.009 7.095 1.00 0.00 H new ATOM 0 HG SER A 111 15.538 -1.482 9.205 1.00 0.00 H new ATOM 304 N PRO A 112 13.119 -1.246 5.494 1.00 0.00 N ATOM 305 CA PRO A 112 12.265 -1.327 4.299 1.00 0.00 C ATOM 306 C PRO A 112 11.782 -2.762 4.075 1.00 0.00 C ATOM 307 O PRO A 112 12.550 -3.703 4.123 1.00 0.00 O ATOM 308 CB PRO A 112 13.187 -0.870 3.167 1.00 0.00 C ATOM 309 CG PRO A 112 14.636 -1.089 3.665 1.00 0.00 C ATOM 310 CD PRO A 112 14.565 -1.163 5.203 1.00 0.00 C ATOM 0 HA PRO A 112 11.363 -0.720 4.376 1.00 0.00 H new ATOM 0 HB2 PRO A 112 12.998 -1.442 2.258 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.014 0.179 2.925 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.053 -2.007 3.252 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.283 -0.272 3.346 1.00 0.00 H new ATOM 0 HD2 PRO A 112 15.099 -2.033 5.585 1.00 0.00 H new ATOM 0 HD3 PRO A 112 15.015 -0.284 5.665 1.00 0.00 H new ATOM 318 N THR A 113 10.511 -2.933 3.830 1.00 0.00 N ATOM 319 CA THR A 113 9.968 -4.301 3.600 1.00 0.00 C ATOM 320 C THR A 113 10.048 -4.630 2.111 1.00 0.00 C ATOM 321 O THR A 113 10.487 -3.830 1.312 1.00 0.00 O ATOM 322 CB THR A 113 8.508 -4.351 4.057 1.00 0.00 C ATOM 323 OG1 THR A 113 8.315 -3.429 5.120 1.00 0.00 O ATOM 324 CG2 THR A 113 8.170 -5.763 4.538 1.00 0.00 C ATOM 0 H THR A 113 9.824 -2.181 3.779 1.00 0.00 H new ATOM 0 HA THR A 113 10.550 -5.028 4.166 1.00 0.00 H new ATOM 0 HB THR A 113 7.857 -4.088 3.223 1.00 0.00 H new ATOM 0 HG1 THR A 113 7.380 -3.458 5.413 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.130 -5.797 4.863 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.319 -6.471 3.722 1.00 0.00 H new ATOM 0 HG23 THR A 113 8.820 -6.029 5.372 1.00 0.00 H new ATOM 332 N PHE A 114 9.632 -5.802 1.734 1.00 0.00 N ATOM 333 CA PHE A 114 9.690 -6.185 0.295 1.00 0.00 C ATOM 334 C PHE A 114 8.515 -5.551 -0.452 1.00 0.00 C ATOM 335 O PHE A 114 7.527 -5.161 0.140 1.00 0.00 O ATOM 336 CB PHE A 114 9.610 -7.708 0.166 1.00 0.00 C ATOM 337 CG PHE A 114 10.953 -8.314 0.495 1.00 0.00 C ATOM 338 CD1 PHE A 114 11.444 -8.264 1.807 1.00 0.00 C ATOM 339 CD2 PHE A 114 11.710 -8.929 -0.512 1.00 0.00 C ATOM 340 CE1 PHE A 114 12.690 -8.827 2.111 1.00 0.00 C ATOM 341 CE2 PHE A 114 12.956 -9.493 -0.208 1.00 0.00 C ATOM 342 CZ PHE A 114 13.445 -9.442 1.104 1.00 0.00 C ATOM 0 H PHE A 114 9.253 -6.514 2.358 1.00 0.00 H new ATOM 0 HA PHE A 114 10.628 -5.832 -0.134 1.00 0.00 H new ATOM 0 HB2 PHE A 114 8.848 -8.101 0.839 1.00 0.00 H new ATOM 0 HB3 PHE A 114 9.314 -7.983 -0.846 1.00 0.00 H new ATOM 0 HD1 PHE A 114 10.861 -7.791 2.584 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.332 -8.968 -1.523 1.00 0.00 H new ATOM 0 HE1 PHE A 114 13.069 -8.787 3.122 1.00 0.00 H new ATOM 0 HE2 PHE A 114 13.539 -9.967 -0.984 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.405 -9.877 1.339 1.00 0.00 H new ATOM 352 N CYS A 115 8.615 -5.440 -1.750 1.00 0.00 N ATOM 353 CA CYS A 115 7.508 -4.827 -2.534 1.00 0.00 C ATOM 354 C CYS A 115 6.666 -5.928 -3.179 1.00 0.00 C ATOM 355 O CYS A 115 7.177 -6.832 -3.813 1.00 0.00 O ATOM 356 CB CYS A 115 8.096 -3.916 -3.612 1.00 0.00 C ATOM 357 SG CYS A 115 6.818 -3.456 -4.809 1.00 0.00 S ATOM 0 H CYS A 115 9.417 -5.748 -2.300 1.00 0.00 H new ATOM 0 HA CYS A 115 6.873 -4.237 -1.873 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.514 -3.020 -3.153 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.915 -4.425 -4.121 1.00 0.00 H new ATOM 362 N ASP A 116 5.377 -5.854 -3.013 1.00 0.00 N ATOM 363 CA ASP A 116 4.481 -6.892 -3.602 1.00 0.00 C ATOM 364 C ASP A 116 4.079 -6.494 -5.020 1.00 0.00 C ATOM 365 O ASP A 116 2.974 -6.745 -5.459 1.00 0.00 O ATOM 366 CB ASP A 116 3.223 -7.025 -2.752 1.00 0.00 C ATOM 367 CG ASP A 116 2.743 -5.640 -2.315 1.00 0.00 C ATOM 368 OD1 ASP A 116 2.521 -4.812 -3.183 1.00 0.00 O ATOM 369 OD2 ASP A 116 2.606 -5.430 -1.122 1.00 0.00 O ATOM 0 H ASP A 116 4.901 -5.117 -2.493 1.00 0.00 H new ATOM 0 HA ASP A 116 5.015 -7.842 -3.628 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.441 -7.528 -3.320 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.428 -7.642 -1.877 1.00 0.00 H new ATOM 374 N HIS A 117 4.968 -5.883 -5.738 1.00 0.00 N ATOM 375 CA HIS A 117 4.651 -5.470 -7.134 1.00 0.00 C ATOM 376 C HIS A 117 5.858 -5.752 -8.027 1.00 0.00 C ATOM 377 O HIS A 117 5.723 -6.182 -9.156 1.00 0.00 O ATOM 378 CB HIS A 117 4.331 -3.974 -7.167 1.00 0.00 C ATOM 379 CG HIS A 117 4.041 -3.557 -8.582 1.00 0.00 C ATOM 380 ND1 HIS A 117 4.842 -3.461 -9.693 1.00 0.00 N flip ATOM 381 CD2 HIS A 117 2.774 -3.175 -8.995 1.00 0.00 C flip ATOM 382 CE1 HIS A 117 4.087 -3.026 -10.779 1.00 0.00 C flip ATOM 383 NE2 HIS A 117 2.850 -2.869 -10.303 1.00 0.00 N flip ATOM 0 H HIS A 117 5.908 -5.648 -5.421 1.00 0.00 H new ATOM 0 HA HIS A 117 3.788 -6.031 -7.494 1.00 0.00 H new ATOM 0 HB2 HIS A 117 3.473 -3.760 -6.530 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.171 -3.402 -6.773 1.00 0.00 H new ATOM 0 HD2 HIS A 117 1.888 -3.131 -8.379 1.00 0.00 H new ATOM 0 HE1 HIS A 117 4.429 -2.853 -11.789 1.00 0.00 H new ATOM 0 HE2 HIS A 117 2.058 -2.555 -10.863 1.00 0.00 H new ATOM 391 N CYS A 118 7.039 -5.514 -7.529 1.00 0.00 N ATOM 392 CA CYS A 118 8.257 -5.769 -8.345 1.00 0.00 C ATOM 393 C CYS A 118 9.117 -6.831 -7.656 1.00 0.00 C ATOM 394 O CYS A 118 10.061 -7.342 -8.224 1.00 0.00 O ATOM 395 CB CYS A 118 9.057 -4.470 -8.485 1.00 0.00 C ATOM 396 SG CYS A 118 9.442 -3.818 -6.842 1.00 0.00 S ATOM 0 H CYS A 118 7.213 -5.153 -6.591 1.00 0.00 H new ATOM 0 HA CYS A 118 7.967 -6.124 -9.334 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.977 -4.655 -9.039 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.484 -3.737 -9.054 1.00 0.00 H new ATOM 401 N GLY A 119 8.797 -7.170 -6.434 1.00 0.00 N ATOM 402 CA GLY A 119 9.596 -8.201 -5.714 1.00 0.00 C ATOM 403 C GLY A 119 10.981 -7.640 -5.382 1.00 0.00 C ATOM 404 O GLY A 119 11.990 -8.271 -5.624 1.00 0.00 O ATOM 0 H GLY A 119 8.018 -6.777 -5.906 1.00 0.00 H new ATOM 0 HA2 GLY A 119 9.084 -8.498 -4.799 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.693 -9.095 -6.330 1.00 0.00 H new ATOM 408 N SER A 120 11.035 -6.461 -4.828 1.00 0.00 N ATOM 409 CA SER A 120 12.354 -5.862 -4.478 1.00 0.00 C ATOM 410 C SER A 120 12.247 -5.150 -3.129 1.00 0.00 C ATOM 411 O SER A 120 11.239 -4.551 -2.812 1.00 0.00 O ATOM 412 CB SER A 120 12.762 -4.858 -5.556 1.00 0.00 C ATOM 413 OG SER A 120 12.845 -5.522 -6.810 1.00 0.00 O ATOM 0 H SER A 120 10.223 -5.886 -4.602 1.00 0.00 H new ATOM 0 HA SER A 120 13.106 -6.649 -4.415 1.00 0.00 H new ATOM 0 HB2 SER A 120 12.035 -4.048 -5.608 1.00 0.00 H new ATOM 0 HB3 SER A 120 13.723 -4.408 -5.305 1.00 0.00 H new ATOM 0 HG SER A 120 13.105 -4.880 -7.503 1.00 0.00 H new ATOM 419 N LEU A 121 13.278 -5.210 -2.330 1.00 0.00 N ATOM 420 CA LEU A 121 13.229 -4.537 -1.003 1.00 0.00 C ATOM 421 C LEU A 121 13.231 -3.020 -1.191 1.00 0.00 C ATOM 422 O LEU A 121 14.120 -2.457 -1.797 1.00 0.00 O ATOM 423 CB LEU A 121 14.445 -4.947 -0.170 1.00 0.00 C ATOM 424 CG LEU A 121 14.097 -6.182 0.659 1.00 0.00 C ATOM 425 CD1 LEU A 121 15.374 -6.963 0.974 1.00 0.00 C ATOM 426 CD2 LEU A 121 13.432 -5.743 1.965 1.00 0.00 C ATOM 0 H LEU A 121 14.150 -5.695 -2.540 1.00 0.00 H new ATOM 0 HA LEU A 121 12.317 -4.837 -0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.292 -5.160 -0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 121 14.745 -4.128 0.484 1.00 0.00 H new ATOM 0 HG LEU A 121 13.414 -6.818 0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 121 15.125 -7.844 1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 121 15.850 -7.273 0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 121 16.058 -6.329 1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 121 13.182 -6.622 2.559 1.00 0.00 H new ATOM 0 HD22 LEU A 121 14.117 -5.108 2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 121 12.522 -5.186 1.741 1.00 0.00 H new ATOM 438 N LEU A 122 12.238 -2.358 -0.668 1.00 0.00 N ATOM 439 CA LEU A 122 12.170 -0.876 -0.804 1.00 0.00 C ATOM 440 C LEU A 122 13.488 -0.259 -0.329 1.00 0.00 C ATOM 441 O LEU A 122 13.641 0.085 0.826 1.00 0.00 O ATOM 442 CB LEU A 122 11.025 -0.340 0.058 1.00 0.00 C ATOM 443 CG LEU A 122 9.720 -1.037 -0.329 1.00 0.00 C ATOM 444 CD1 LEU A 122 8.803 -1.116 0.894 1.00 0.00 C ATOM 445 CD2 LEU A 122 9.026 -0.238 -1.431 1.00 0.00 C ATOM 0 H LEU A 122 11.467 -2.781 -0.150 1.00 0.00 H new ATOM 0 HA LEU A 122 11.999 -0.615 -1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 122 11.241 -0.510 1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 122 10.928 0.737 -0.078 1.00 0.00 H new ATOM 0 HG LEU A 122 9.937 -2.043 -0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 122 7.872 -1.613 0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 122 9.297 -1.682 1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 122 8.585 -0.109 1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.095 -0.733 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.809 0.767 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.678 -0.177 -2.302 1.00 0.00 H new ATOM 457 N TYR A 123 14.441 -0.114 -1.208 1.00 0.00 N ATOM 458 CA TYR A 123 15.741 0.484 -0.797 1.00 0.00 C ATOM 459 C TYR A 123 15.478 1.735 0.044 1.00 0.00 C ATOM 460 O TYR A 123 14.392 2.279 0.039 1.00 0.00 O ATOM 461 CB TYR A 123 16.546 0.863 -2.042 1.00 0.00 C ATOM 462 CG TYR A 123 17.411 -0.304 -2.459 1.00 0.00 C ATOM 463 CD1 TYR A 123 17.027 -1.614 -2.141 1.00 0.00 C ATOM 464 CD2 TYR A 123 18.599 -0.076 -3.167 1.00 0.00 C ATOM 465 CE1 TYR A 123 17.830 -2.694 -2.530 1.00 0.00 C ATOM 466 CE2 TYR A 123 19.402 -1.156 -3.556 1.00 0.00 C ATOM 467 CZ TYR A 123 19.018 -2.465 -3.238 1.00 0.00 C ATOM 468 OH TYR A 123 19.809 -3.529 -3.620 1.00 0.00 O ATOM 0 H TYR A 123 14.376 -0.383 -2.190 1.00 0.00 H new ATOM 0 HA TYR A 123 16.306 -0.239 -0.209 1.00 0.00 H new ATOM 0 HB2 TYR A 123 15.872 1.138 -2.854 1.00 0.00 H new ATOM 0 HB3 TYR A 123 17.168 1.734 -1.835 1.00 0.00 H new ATOM 0 HD1 TYR A 123 16.112 -1.791 -1.596 1.00 0.00 H new ATOM 0 HD2 TYR A 123 18.896 0.933 -3.413 1.00 0.00 H new ATOM 0 HE1 TYR A 123 17.534 -3.703 -2.284 1.00 0.00 H new ATOM 0 HE2 TYR A 123 20.317 -0.979 -4.101 1.00 0.00 H new ATOM 0 HH TYR A 123 20.594 -3.196 -4.103 1.00 0.00 H new ATOM 478 N GLY A 124 16.462 2.198 0.765 1.00 0.00 N ATOM 479 CA GLY A 124 16.262 3.416 1.601 1.00 0.00 C ATOM 480 C GLY A 124 15.790 4.571 0.717 1.00 0.00 C ATOM 481 O GLY A 124 15.271 5.561 1.195 1.00 0.00 O ATOM 0 H GLY A 124 17.394 1.787 0.812 1.00 0.00 H new ATOM 0 HA2 GLY A 124 15.527 3.218 2.381 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.193 3.684 2.101 1.00 0.00 H new ATOM 485 N LEU A 125 15.964 4.454 -0.571 1.00 0.00 N ATOM 486 CA LEU A 125 15.527 5.543 -1.489 1.00 0.00 C ATOM 487 C LEU A 125 14.109 5.990 -1.124 1.00 0.00 C ATOM 488 O LEU A 125 13.704 7.097 -1.419 1.00 0.00 O ATOM 489 CB LEU A 125 15.542 5.030 -2.930 1.00 0.00 C ATOM 490 CG LEU A 125 16.975 5.036 -3.460 1.00 0.00 C ATOM 491 CD1 LEU A 125 17.082 4.088 -4.657 1.00 0.00 C ATOM 492 CD2 LEU A 125 17.349 6.454 -3.900 1.00 0.00 C ATOM 0 H LEU A 125 16.391 3.649 -1.028 1.00 0.00 H new ATOM 0 HA LEU A 125 16.208 6.389 -1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 125 15.132 4.021 -2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 125 14.909 5.658 -3.557 1.00 0.00 H new ATOM 0 HG LEU A 125 17.654 4.706 -2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 125 18.104 4.093 -5.035 1.00 0.00 H new ATOM 0 HD12 LEU A 125 16.815 3.078 -4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 125 16.403 4.417 -5.444 1.00 0.00 H new ATOM 0 HD21 LEU A 125 18.371 6.460 -4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 125 16.669 6.782 -4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 125 17.273 7.131 -3.049 1.00 0.00 H new ATOM 504 N VAL A 126 13.348 5.141 -0.489 1.00 0.00 N ATOM 505 CA VAL A 126 11.957 5.528 -0.116 1.00 0.00 C ATOM 506 C VAL A 126 11.785 5.435 1.401 1.00 0.00 C ATOM 507 O VAL A 126 10.971 4.681 1.896 1.00 0.00 O ATOM 508 CB VAL A 126 10.966 4.584 -0.800 1.00 0.00 C ATOM 509 CG1 VAL A 126 10.721 5.052 -2.235 1.00 0.00 C ATOM 510 CG2 VAL A 126 11.541 3.167 -0.818 1.00 0.00 C ATOM 0 H VAL A 126 13.627 4.200 -0.213 1.00 0.00 H new ATOM 0 HA VAL A 126 11.768 6.552 -0.438 1.00 0.00 H new ATOM 0 HB VAL A 126 10.024 4.588 -0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 126 10.015 4.379 -2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 126 10.311 6.062 -2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 126 11.662 5.049 -2.784 1.00 0.00 H new ATOM 0 HG21 VAL A 126 10.835 2.494 -1.305 1.00 0.00 H new ATOM 0 HG22 VAL A 126 12.483 3.164 -1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 126 11.715 2.832 0.205 1.00 0.00 H new ATOM 520 N HIS A 127 12.543 6.198 2.142 1.00 0.00 N ATOM 521 CA HIS A 127 12.422 6.157 3.628 1.00 0.00 C ATOM 522 C HIS A 127 12.301 4.700 4.091 1.00 0.00 C ATOM 523 O HIS A 127 13.290 4.018 4.278 1.00 0.00 O ATOM 524 CB HIS A 127 11.184 6.951 4.060 1.00 0.00 C ATOM 525 CG HIS A 127 11.071 6.917 5.559 1.00 0.00 C ATOM 526 ND1 HIS A 127 11.897 6.406 6.527 1.00 0.00 N flip ATOM 527 CD2 HIS A 127 9.992 7.468 6.232 1.00 0.00 C flip ATOM 528 CE1 HIS A 127 11.343 6.634 7.784 1.00 0.00 C flip ATOM 529 NE2 HIS A 127 10.196 7.276 7.549 1.00 0.00 N flip ATOM 0 H HIS A 127 13.241 6.848 1.782 1.00 0.00 H new ATOM 0 HA HIS A 127 13.308 6.602 4.082 1.00 0.00 H new ATOM 0 HB2 HIS A 127 11.259 7.981 3.713 1.00 0.00 H new ATOM 0 HB3 HIS A 127 10.289 6.526 3.606 1.00 0.00 H new ATOM 0 HD1 HIS A 127 12.783 5.931 6.353 1.00 0.00 H new ATOM 0 HD2 HIS A 127 9.143 7.961 5.782 1.00 0.00 H new ATOM 0 HE1 HIS A 127 11.753 6.352 8.743 1.00 0.00 H new ATOM 537 N GLN A 128 11.103 4.213 4.271 1.00 0.00 N ATOM 538 CA GLN A 128 10.933 2.801 4.716 1.00 0.00 C ATOM 539 C GLN A 128 10.156 2.027 3.648 1.00 0.00 C ATOM 540 O GLN A 128 10.690 1.163 2.983 1.00 0.00 O ATOM 541 CB GLN A 128 10.157 2.773 6.035 1.00 0.00 C ATOM 542 CG GLN A 128 10.978 2.037 7.096 1.00 0.00 C ATOM 543 CD GLN A 128 12.164 2.908 7.516 1.00 0.00 C ATOM 544 OE1 GLN A 128 12.591 3.772 6.777 1.00 0.00 O ATOM 545 NE2 GLN A 128 12.718 2.714 8.682 1.00 0.00 N ATOM 0 H GLN A 128 10.236 4.731 4.129 1.00 0.00 H new ATOM 0 HA GLN A 128 11.910 2.341 4.862 1.00 0.00 H new ATOM 0 HB2 GLN A 128 9.944 3.790 6.365 1.00 0.00 H new ATOM 0 HB3 GLN A 128 9.197 2.276 5.894 1.00 0.00 H new ATOM 0 HG2 GLN A 128 10.355 1.810 7.961 1.00 0.00 H new ATOM 0 HG3 GLN A 128 11.333 1.085 6.701 1.00 0.00 H new ATOM 0 HE21 GLN A 128 12.359 1.988 9.303 1.00 0.00 H new ATOM 0 HE22 GLN A 128 13.510 3.288 8.972 1.00 0.00 H new ATOM 554 N GLY A 129 8.898 2.335 3.478 1.00 0.00 N ATOM 555 CA GLY A 129 8.088 1.622 2.451 1.00 0.00 C ATOM 556 C GLY A 129 6.666 2.188 2.442 1.00 0.00 C ATOM 557 O GLY A 129 6.202 2.735 3.422 1.00 0.00 O ATOM 0 H GLY A 129 8.397 3.050 4.006 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.544 1.738 1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 129 8.065 0.554 2.667 1.00 0.00 H new ATOM 561 N MET A 130 5.971 2.061 1.345 1.00 0.00 N ATOM 562 CA MET A 130 4.580 2.593 1.283 1.00 0.00 C ATOM 563 C MET A 130 3.600 1.513 1.737 1.00 0.00 C ATOM 564 O MET A 130 3.346 0.559 1.031 1.00 0.00 O ATOM 565 CB MET A 130 4.248 3.002 -0.153 1.00 0.00 C ATOM 566 CG MET A 130 4.615 4.469 -0.373 1.00 0.00 C ATOM 567 SD MET A 130 6.309 4.763 0.189 1.00 0.00 S ATOM 568 CE MET A 130 6.299 6.557 -0.034 1.00 0.00 C ATOM 0 H MET A 130 6.305 1.613 0.491 1.00 0.00 H new ATOM 0 HA MET A 130 4.499 3.461 1.937 1.00 0.00 H new ATOM 0 HB2 MET A 130 4.794 2.372 -0.855 1.00 0.00 H new ATOM 0 HB3 MET A 130 3.186 2.850 -0.348 1.00 0.00 H new ATOM 0 HG2 MET A 130 4.522 4.723 -1.429 1.00 0.00 H new ATOM 0 HG3 MET A 130 3.924 5.113 0.171 1.00 0.00 H new ATOM 0 HE1 MET A 130 7.080 7.004 0.580 1.00 0.00 H new ATOM 0 HE2 MET A 130 6.481 6.794 -1.082 1.00 0.00 H new ATOM 0 HE3 MET A 130 5.330 6.955 0.265 1.00 0.00 H new ATOM 578 N LYS A 131 3.044 1.654 2.908 1.00 0.00 N ATOM 579 CA LYS A 131 2.080 0.633 3.398 1.00 0.00 C ATOM 580 C LYS A 131 0.655 1.102 3.118 1.00 0.00 C ATOM 581 O LYS A 131 0.265 2.192 3.485 1.00 0.00 O ATOM 582 CB LYS A 131 2.262 0.436 4.902 1.00 0.00 C ATOM 583 CG LYS A 131 1.451 -0.777 5.362 1.00 0.00 C ATOM 584 CD LYS A 131 0.356 -0.323 6.330 1.00 0.00 C ATOM 585 CE LYS A 131 -0.023 -1.483 7.253 1.00 0.00 C ATOM 586 NZ LYS A 131 1.207 -2.039 7.884 1.00 0.00 N ATOM 0 H LYS A 131 3.216 2.432 3.545 1.00 0.00 H new ATOM 0 HA LYS A 131 2.262 -0.311 2.884 1.00 0.00 H new ATOM 0 HB2 LYS A 131 3.317 0.291 5.135 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.937 1.328 5.438 1.00 0.00 H new ATOM 0 HG2 LYS A 131 1.006 -1.277 4.502 1.00 0.00 H new ATOM 0 HG3 LYS A 131 2.104 -1.501 5.849 1.00 0.00 H new ATOM 0 HD2 LYS A 131 0.705 0.525 6.919 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -0.519 0.014 5.774 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -0.715 -1.139 8.022 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -0.537 -2.260 6.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 0.969 -2.441 8.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 1.603 -2.784 7.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 1.909 -1.281 8.004 1.00 0.00 H new ATOM 600 N CYS A 132 -0.128 0.285 2.474 1.00 0.00 N ATOM 601 CA CYS A 132 -1.532 0.685 2.177 1.00 0.00 C ATOM 602 C CYS A 132 -2.344 0.641 3.471 1.00 0.00 C ATOM 603 O CYS A 132 -2.463 -0.388 4.105 1.00 0.00 O ATOM 604 CB CYS A 132 -2.137 -0.273 1.155 1.00 0.00 C ATOM 605 SG CYS A 132 -3.781 0.310 0.677 1.00 0.00 S ATOM 0 H CYS A 132 0.141 -0.641 2.141 1.00 0.00 H new ATOM 0 HA CYS A 132 -1.548 1.695 1.766 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -1.494 -0.338 0.277 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -2.204 -1.276 1.577 1.00 0.00 H new ATOM 610 N SER A 133 -2.899 1.750 3.872 1.00 0.00 N ATOM 611 CA SER A 133 -3.698 1.769 5.132 1.00 0.00 C ATOM 612 C SER A 133 -5.097 1.206 4.872 1.00 0.00 C ATOM 613 O SER A 133 -5.971 1.282 5.714 1.00 0.00 O ATOM 614 CB SER A 133 -3.816 3.209 5.636 1.00 0.00 C ATOM 615 OG SER A 133 -2.544 3.838 5.562 1.00 0.00 O ATOM 0 H SER A 133 -2.835 2.643 3.384 1.00 0.00 H new ATOM 0 HA SER A 133 -3.199 1.155 5.882 1.00 0.00 H new ATOM 0 HB2 SER A 133 -4.542 3.758 5.036 1.00 0.00 H new ATOM 0 HB3 SER A 133 -4.180 3.218 6.663 1.00 0.00 H new ATOM 0 HG SER A 133 -2.374 4.124 4.640 1.00 0.00 H new ATOM 621 N CYS A 134 -5.325 0.642 3.716 1.00 0.00 N ATOM 622 CA CYS A 134 -6.671 0.081 3.419 1.00 0.00 C ATOM 623 C CYS A 134 -6.547 -1.397 3.044 1.00 0.00 C ATOM 624 O CYS A 134 -7.529 -2.109 2.964 1.00 0.00 O ATOM 625 CB CYS A 134 -7.294 0.850 2.251 1.00 0.00 C ATOM 626 SG CYS A 134 -8.660 1.870 2.860 1.00 0.00 S ATOM 0 H CYS A 134 -4.638 0.547 2.968 1.00 0.00 H new ATOM 0 HA CYS A 134 -7.303 0.176 4.302 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -6.542 1.478 1.773 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -7.655 0.153 1.495 1.00 0.00 H new ATOM 0 HG CYS A 134 -9.188 2.525 1.869 1.00 0.00 H new ATOM 632 N CYS A 135 -5.352 -1.871 2.806 1.00 0.00 N ATOM 633 CA CYS A 135 -5.191 -3.306 2.431 1.00 0.00 C ATOM 634 C CYS A 135 -3.832 -3.838 2.903 1.00 0.00 C ATOM 635 O CYS A 135 -3.419 -4.917 2.527 1.00 0.00 O ATOM 636 CB CYS A 135 -5.288 -3.440 0.909 1.00 0.00 C ATOM 637 SG CYS A 135 -3.806 -2.733 0.144 1.00 0.00 S ATOM 0 H CYS A 135 -4.488 -1.332 2.855 1.00 0.00 H new ATOM 0 HA CYS A 135 -5.979 -3.887 2.910 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -5.388 -4.489 0.631 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -6.178 -2.927 0.544 1.00 0.00 H new ATOM 642 N GLU A 136 -3.130 -3.100 3.721 1.00 0.00 N ATOM 643 CA GLU A 136 -1.804 -3.585 4.199 1.00 0.00 C ATOM 644 C GLU A 136 -0.984 -4.057 2.996 1.00 0.00 C ATOM 645 O GLU A 136 -0.716 -5.230 2.832 1.00 0.00 O ATOM 646 CB GLU A 136 -2.004 -4.749 5.171 1.00 0.00 C ATOM 647 CG GLU A 136 -2.842 -4.280 6.362 1.00 0.00 C ATOM 648 CD GLU A 136 -1.948 -4.156 7.597 1.00 0.00 C ATOM 649 OE1 GLU A 136 -0.743 -4.267 7.446 1.00 0.00 O ATOM 650 OE2 GLU A 136 -2.485 -3.951 8.674 1.00 0.00 O ATOM 0 H GLU A 136 -3.416 -2.188 4.077 1.00 0.00 H new ATOM 0 HA GLU A 136 -1.279 -2.778 4.710 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -2.501 -5.577 4.666 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -1.038 -5.119 5.515 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -3.306 -3.320 6.138 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -3.649 -4.987 6.554 1.00 0.00 H new ATOM 657 N MET A 137 -0.598 -3.146 2.148 1.00 0.00 N ATOM 658 CA MET A 137 0.190 -3.525 0.944 1.00 0.00 C ATOM 659 C MET A 137 1.455 -2.667 0.867 1.00 0.00 C ATOM 660 O MET A 137 1.391 -1.466 0.697 1.00 0.00 O ATOM 661 CB MET A 137 -0.672 -3.284 -0.294 1.00 0.00 C ATOM 662 CG MET A 137 0.062 -3.755 -1.551 1.00 0.00 C ATOM 663 SD MET A 137 -0.223 -2.562 -2.884 1.00 0.00 S ATOM 664 CE MET A 137 -0.136 -3.731 -4.262 1.00 0.00 C ATOM 0 H MET A 137 -0.796 -2.149 2.238 1.00 0.00 H new ATOM 0 HA MET A 137 0.478 -4.575 1.000 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.618 -3.816 -0.196 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.910 -2.224 -0.379 1.00 0.00 H new ATOM 0 HG2 MET A 137 1.129 -3.848 -1.351 1.00 0.00 H new ATOM 0 HG3 MET A 137 -0.294 -4.742 -1.847 1.00 0.00 H new ATOM 0 HE1 MET A 137 0.626 -3.404 -4.969 1.00 0.00 H new ATOM 0 HE2 MET A 137 0.121 -4.721 -3.884 1.00 0.00 H new ATOM 0 HE3 MET A 137 -1.102 -3.774 -4.764 1.00 0.00 H new ATOM 674 N ASN A 138 2.603 -3.273 0.988 1.00 0.00 N ATOM 675 CA ASN A 138 3.869 -2.489 0.921 1.00 0.00 C ATOM 676 C ASN A 138 4.345 -2.414 -0.530 1.00 0.00 C ATOM 677 O ASN A 138 4.480 -3.419 -1.200 1.00 0.00 O ATOM 678 CB ASN A 138 4.938 -3.173 1.775 1.00 0.00 C ATOM 679 CG ASN A 138 4.366 -3.480 3.160 1.00 0.00 C ATOM 680 OD1 ASN A 138 3.875 -2.598 3.837 1.00 0.00 O ATOM 681 ND2 ASN A 138 4.409 -4.703 3.614 1.00 0.00 N ATOM 0 H ASN A 138 2.720 -4.276 1.130 1.00 0.00 H new ATOM 0 HA ASN A 138 3.694 -1.481 1.298 1.00 0.00 H new ATOM 0 HB2 ASN A 138 5.268 -4.094 1.294 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.813 -2.529 1.866 1.00 0.00 H new ATOM 0 HD21 ASN A 138 4.031 -4.918 4.536 1.00 0.00 H new ATOM 0 HD22 ASN A 138 4.821 -5.444 3.046 1.00 0.00 H new ATOM 688 N VAL A 139 4.598 -1.232 -1.024 1.00 0.00 N ATOM 689 CA VAL A 139 5.062 -1.100 -2.433 1.00 0.00 C ATOM 690 C VAL A 139 6.062 0.053 -2.542 1.00 0.00 C ATOM 691 O VAL A 139 6.243 0.821 -1.617 1.00 0.00 O ATOM 692 CB VAL A 139 3.864 -0.817 -3.340 1.00 0.00 C ATOM 693 CG1 VAL A 139 2.910 -2.012 -3.315 1.00 0.00 C ATOM 694 CG2 VAL A 139 3.132 0.428 -2.837 1.00 0.00 C ATOM 0 H VAL A 139 4.503 -0.354 -0.513 1.00 0.00 H new ATOM 0 HA VAL A 139 5.544 -2.028 -2.741 1.00 0.00 H new ATOM 0 HB VAL A 139 4.211 -0.651 -4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 139 2.056 -1.810 -3.962 1.00 0.00 H new ATOM 0 HG12 VAL A 139 3.431 -2.901 -3.670 1.00 0.00 H new ATOM 0 HG13 VAL A 139 2.562 -2.178 -2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.277 0.633 -3.482 1.00 0.00 H new ATOM 0 HG22 VAL A 139 2.786 0.259 -1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 139 3.811 1.281 -2.853 1.00 0.00 H new ATOM 704 N HIS A 140 6.711 0.176 -3.668 1.00 0.00 N ATOM 705 CA HIS A 140 7.701 1.275 -3.847 1.00 0.00 C ATOM 706 C HIS A 140 6.968 2.584 -4.149 1.00 0.00 C ATOM 707 O HIS A 140 5.763 2.612 -4.298 1.00 0.00 O ATOM 708 CB HIS A 140 8.633 0.931 -5.013 1.00 0.00 C ATOM 709 CG HIS A 140 9.546 -0.193 -4.607 1.00 0.00 C ATOM 710 ND1 HIS A 140 9.314 -1.508 -4.980 1.00 0.00 N ATOM 711 CD2 HIS A 140 10.694 -0.213 -3.852 1.00 0.00 C ATOM 712 CE1 HIS A 140 10.300 -2.258 -4.452 1.00 0.00 C ATOM 713 NE2 HIS A 140 11.168 -1.518 -3.756 1.00 0.00 N ATOM 0 H HIS A 140 6.597 -0.439 -4.474 1.00 0.00 H new ATOM 0 HA HIS A 140 8.284 1.391 -2.933 1.00 0.00 H new ATOM 0 HB2 HIS A 140 8.049 0.642 -5.887 1.00 0.00 H new ATOM 0 HB3 HIS A 140 9.218 1.806 -5.296 1.00 0.00 H new ATOM 0 HD2 HIS A 140 11.158 0.652 -3.402 1.00 0.00 H new ATOM 0 HE1 HIS A 140 10.380 -3.328 -4.576 1.00 0.00 H new ATOM 0 HE2 HIS A 140 11.999 -1.840 -3.261 1.00 0.00 H new ATOM 720 N ARG A 141 7.688 3.668 -4.240 1.00 0.00 N ATOM 721 CA ARG A 141 7.040 4.975 -4.531 1.00 0.00 C ATOM 722 C ARG A 141 6.843 5.116 -6.044 1.00 0.00 C ATOM 723 O ARG A 141 6.179 6.021 -6.510 1.00 0.00 O ATOM 724 CB ARG A 141 7.937 6.104 -4.017 1.00 0.00 C ATOM 725 CG ARG A 141 7.500 7.432 -4.633 1.00 0.00 C ATOM 726 CD ARG A 141 7.802 8.572 -3.658 1.00 0.00 C ATOM 727 NE ARG A 141 7.212 9.838 -4.176 1.00 0.00 N ATOM 728 CZ ARG A 141 5.927 10.044 -4.086 1.00 0.00 C ATOM 729 NH1 ARG A 141 5.411 10.465 -2.963 1.00 0.00 N ATOM 730 NH2 ARG A 141 5.158 9.830 -5.118 1.00 0.00 N ATOM 0 H ARG A 141 8.701 3.704 -4.125 1.00 0.00 H new ATOM 0 HA ARG A 141 6.070 5.028 -4.036 1.00 0.00 H new ATOM 0 HB2 ARG A 141 7.880 6.160 -2.930 1.00 0.00 H new ATOM 0 HB3 ARG A 141 8.977 5.899 -4.271 1.00 0.00 H new ATOM 0 HG2 ARG A 141 8.023 7.597 -5.575 1.00 0.00 H new ATOM 0 HG3 ARG A 141 6.434 7.406 -4.860 1.00 0.00 H new ATOM 0 HD2 ARG A 141 7.391 8.342 -2.675 1.00 0.00 H new ATOM 0 HD3 ARG A 141 8.879 8.684 -3.535 1.00 0.00 H new ATOM 0 HE ARG A 141 7.813 10.544 -4.601 1.00 0.00 H new ATOM 0 HH11 ARG A 141 6.013 10.633 -2.157 1.00 0.00 H new ATOM 0 HH12 ARG A 141 4.406 10.626 -2.892 1.00 0.00 H new ATOM 0 HH21 ARG A 141 5.562 9.502 -5.995 1.00 0.00 H new ATOM 0 HH22 ARG A 141 4.153 9.991 -5.047 1.00 0.00 H new ATOM 744 N ARG A 142 7.414 4.230 -6.812 1.00 0.00 N ATOM 745 CA ARG A 142 7.259 4.315 -8.291 1.00 0.00 C ATOM 746 C ARG A 142 6.380 3.163 -8.781 1.00 0.00 C ATOM 747 O ARG A 142 5.988 3.113 -9.929 1.00 0.00 O ATOM 748 CB ARG A 142 8.635 4.225 -8.953 1.00 0.00 C ATOM 749 CG ARG A 142 9.517 3.252 -8.169 1.00 0.00 C ATOM 750 CD ARG A 142 10.482 2.551 -9.126 1.00 0.00 C ATOM 751 NE ARG A 142 10.395 1.077 -8.928 1.00 0.00 N ATOM 752 CZ ARG A 142 11.484 0.358 -8.901 1.00 0.00 C ATOM 753 NH1 ARG A 142 12.137 0.122 -10.005 1.00 0.00 N ATOM 754 NH2 ARG A 142 11.920 -0.123 -7.769 1.00 0.00 N ATOM 0 H ARG A 142 7.981 3.451 -6.479 1.00 0.00 H new ATOM 0 HA ARG A 142 6.791 5.264 -8.553 1.00 0.00 H new ATOM 0 HB2 ARG A 142 8.532 3.889 -9.985 1.00 0.00 H new ATOM 0 HB3 ARG A 142 9.100 5.210 -8.984 1.00 0.00 H new ATOM 0 HG2 ARG A 142 10.075 3.788 -7.402 1.00 0.00 H new ATOM 0 HG3 ARG A 142 8.898 2.516 -7.657 1.00 0.00 H new ATOM 0 HD2 ARG A 142 10.237 2.805 -10.157 1.00 0.00 H new ATOM 0 HD3 ARG A 142 11.501 2.893 -8.947 1.00 0.00 H new ATOM 0 HE ARG A 142 9.485 0.630 -8.814 1.00 0.00 H new ATOM 0 HH11 ARG A 142 11.797 0.499 -10.889 1.00 0.00 H new ATOM 0 HH12 ARG A 142 12.988 -0.440 -9.984 1.00 0.00 H new ATOM 0 HH21 ARG A 142 11.410 0.063 -6.906 1.00 0.00 H new ATOM 0 HH22 ARG A 142 12.771 -0.685 -7.748 1.00 0.00 H new ATOM 768 N CYS A 143 6.065 2.236 -7.917 1.00 0.00 N ATOM 769 CA CYS A 143 5.209 1.090 -8.335 1.00 0.00 C ATOM 770 C CYS A 143 3.739 1.450 -8.108 1.00 0.00 C ATOM 771 O CYS A 143 2.850 0.866 -8.694 1.00 0.00 O ATOM 772 CB CYS A 143 5.567 -0.145 -7.503 1.00 0.00 C ATOM 773 SG CYS A 143 7.201 -0.750 -7.995 1.00 0.00 S ATOM 0 H CYS A 143 6.363 2.223 -6.942 1.00 0.00 H new ATOM 0 HA CYS A 143 5.375 0.875 -9.391 1.00 0.00 H new ATOM 0 HB2 CYS A 143 5.564 0.105 -6.442 1.00 0.00 H new ATOM 0 HB3 CYS A 143 4.819 -0.925 -7.649 1.00 0.00 H new ATOM 778 N VAL A 144 3.480 2.408 -7.262 1.00 0.00 N ATOM 779 CA VAL A 144 2.070 2.810 -6.997 1.00 0.00 C ATOM 780 C VAL A 144 1.472 3.437 -8.257 1.00 0.00 C ATOM 781 O VAL A 144 0.289 3.333 -8.513 1.00 0.00 O ATOM 782 CB VAL A 144 2.037 3.832 -5.858 1.00 0.00 C ATOM 783 CG1 VAL A 144 0.600 4.307 -5.639 1.00 0.00 C ATOM 784 CG2 VAL A 144 2.560 3.183 -4.575 1.00 0.00 C ATOM 0 H VAL A 144 4.185 2.931 -6.742 1.00 0.00 H new ATOM 0 HA VAL A 144 1.489 1.931 -6.717 1.00 0.00 H new ATOM 0 HB VAL A 144 2.665 4.684 -6.117 1.00 0.00 H new ATOM 0 HG11 VAL A 144 0.577 5.035 -4.828 1.00 0.00 H new ATOM 0 HG12 VAL A 144 0.227 4.770 -6.552 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -0.029 3.455 -5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 144 2.537 3.910 -3.764 1.00 0.00 H new ATOM 0 HG22 VAL A 144 1.932 2.331 -4.316 1.00 0.00 H new ATOM 0 HG23 VAL A 144 3.585 2.845 -4.730 1.00 0.00 H new ATOM 794 N ARG A 145 2.280 4.090 -9.047 1.00 0.00 N ATOM 795 CA ARG A 145 1.757 4.725 -10.289 1.00 0.00 C ATOM 796 C ARG A 145 1.408 3.642 -11.314 1.00 0.00 C ATOM 797 O ARG A 145 0.891 3.926 -12.376 1.00 0.00 O ATOM 798 CB ARG A 145 2.822 5.655 -10.875 1.00 0.00 C ATOM 799 CG ARG A 145 3.132 6.772 -9.876 1.00 0.00 C ATOM 800 CD ARG A 145 4.032 7.816 -10.540 1.00 0.00 C ATOM 801 NE ARG A 145 3.973 9.087 -9.767 1.00 0.00 N ATOM 802 CZ ARG A 145 3.917 10.231 -10.392 1.00 0.00 C ATOM 803 NH1 ARG A 145 4.867 10.568 -11.221 1.00 0.00 N ATOM 804 NH2 ARG A 145 2.911 11.037 -10.190 1.00 0.00 N ATOM 0 H ARG A 145 3.280 4.211 -8.886 1.00 0.00 H new ATOM 0 HA ARG A 145 0.862 5.300 -10.050 1.00 0.00 H new ATOM 0 HB2 ARG A 145 3.728 5.092 -11.099 1.00 0.00 H new ATOM 0 HB3 ARG A 145 2.471 6.081 -11.815 1.00 0.00 H new ATOM 0 HG2 ARG A 145 2.207 7.237 -9.536 1.00 0.00 H new ATOM 0 HG3 ARG A 145 3.624 6.360 -8.995 1.00 0.00 H new ATOM 0 HD2 ARG A 145 5.058 7.452 -10.583 1.00 0.00 H new ATOM 0 HD3 ARG A 145 3.711 7.988 -11.567 1.00 0.00 H new ATOM 0 HE ARG A 145 3.976 9.063 -8.747 1.00 0.00 H new ATOM 0 HH11 ARG A 145 5.653 9.937 -11.380 1.00 0.00 H new ATOM 0 HH12 ARG A 145 4.824 11.462 -11.710 1.00 0.00 H new ATOM 0 HH21 ARG A 145 2.168 10.773 -9.543 1.00 0.00 H new ATOM 0 HH22 ARG A 145 2.868 11.931 -10.679 1.00 0.00 H new ATOM 818 N SER A 146 1.686 2.405 -11.005 1.00 0.00 N ATOM 819 CA SER A 146 1.369 1.311 -11.966 1.00 0.00 C ATOM 820 C SER A 146 0.167 0.513 -11.454 1.00 0.00 C ATOM 821 O SER A 146 -0.415 -0.277 -12.170 1.00 0.00 O ATOM 822 CB SER A 146 2.577 0.383 -12.100 1.00 0.00 C ATOM 823 OG SER A 146 3.770 1.147 -11.981 1.00 0.00 O ATOM 0 H SER A 146 2.118 2.105 -10.131 1.00 0.00 H new ATOM 0 HA SER A 146 1.132 1.741 -12.939 1.00 0.00 H new ATOM 0 HB2 SER A 146 2.546 -0.387 -11.329 1.00 0.00 H new ATOM 0 HB3 SER A 146 2.553 -0.128 -13.062 1.00 0.00 H new ATOM 0 HG SER A 146 4.547 0.556 -12.065 1.00 0.00 H new ATOM 829 N VAL A 147 -0.208 0.712 -10.220 1.00 0.00 N ATOM 830 CA VAL A 147 -1.371 -0.038 -9.667 1.00 0.00 C ATOM 831 C VAL A 147 -2.673 0.607 -10.158 1.00 0.00 C ATOM 832 O VAL A 147 -2.769 1.816 -10.235 1.00 0.00 O ATOM 833 CB VAL A 147 -1.325 0.010 -8.138 1.00 0.00 C ATOM 834 CG1 VAL A 147 -2.342 -0.976 -7.563 1.00 0.00 C ATOM 835 CG2 VAL A 147 0.079 -0.370 -7.660 1.00 0.00 C ATOM 0 H VAL A 147 0.240 1.360 -9.572 1.00 0.00 H new ATOM 0 HA VAL A 147 -1.329 -1.075 -10.001 1.00 0.00 H new ATOM 0 HB VAL A 147 -1.567 1.018 -7.799 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -2.308 -0.940 -6.474 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -3.342 -0.707 -7.904 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -2.102 -1.984 -7.901 1.00 0.00 H new ATOM 0 HG21 VAL A 147 0.114 -0.336 -6.571 1.00 0.00 H new ATOM 0 HG22 VAL A 147 0.319 -1.377 -8.000 1.00 0.00 H new ATOM 0 HG23 VAL A 147 0.805 0.333 -8.068 1.00 0.00 H new ATOM 845 N PRO A 148 -3.637 -0.221 -10.479 1.00 0.00 N ATOM 846 CA PRO A 148 -4.951 0.237 -10.970 1.00 0.00 C ATOM 847 C PRO A 148 -5.845 0.677 -9.803 1.00 0.00 C ATOM 848 O PRO A 148 -7.026 0.394 -9.777 1.00 0.00 O ATOM 849 CB PRO A 148 -5.529 -1.005 -11.652 1.00 0.00 C ATOM 850 CG PRO A 148 -4.805 -2.223 -11.029 1.00 0.00 C ATOM 851 CD PRO A 148 -3.508 -1.690 -10.392 1.00 0.00 C ATOM 0 HA PRO A 148 -4.879 1.097 -11.636 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -6.605 -1.070 -11.493 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -5.368 -0.967 -12.729 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -5.434 -2.705 -10.281 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -4.583 -2.972 -11.789 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -3.408 -2.020 -9.358 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -2.627 -2.045 -10.927 1.00 0.00 H new ATOM 859 N SER A 149 -5.295 1.363 -8.837 1.00 0.00 N ATOM 860 CA SER A 149 -6.119 1.813 -7.679 1.00 0.00 C ATOM 861 C SER A 149 -6.925 0.631 -7.133 1.00 0.00 C ATOM 862 O SER A 149 -7.935 0.806 -6.480 1.00 0.00 O ATOM 863 CB SER A 149 -7.077 2.916 -8.131 1.00 0.00 C ATOM 864 OG SER A 149 -6.791 3.260 -9.480 1.00 0.00 O ATOM 0 H SER A 149 -4.311 1.631 -8.800 1.00 0.00 H new ATOM 0 HA SER A 149 -5.464 2.198 -6.897 1.00 0.00 H new ATOM 0 HB2 SER A 149 -8.109 2.577 -8.041 1.00 0.00 H new ATOM 0 HB3 SER A 149 -6.971 3.791 -7.490 1.00 0.00 H new ATOM 0 HG SER A 149 -7.404 3.966 -9.775 1.00 0.00 H new ATOM 870 N LEU A 150 -6.486 -0.570 -7.392 1.00 0.00 N ATOM 871 CA LEU A 150 -7.225 -1.761 -6.886 1.00 0.00 C ATOM 872 C LEU A 150 -6.871 -1.992 -5.418 1.00 0.00 C ATOM 873 O LEU A 150 -6.115 -2.883 -5.085 1.00 0.00 O ATOM 874 CB LEU A 150 -6.829 -2.990 -7.705 1.00 0.00 C ATOM 875 CG LEU A 150 -8.087 -3.671 -8.246 1.00 0.00 C ATOM 876 CD1 LEU A 150 -7.897 -3.996 -9.728 1.00 0.00 C ATOM 877 CD2 LEU A 150 -8.339 -4.965 -7.469 1.00 0.00 C ATOM 0 H LEU A 150 -5.647 -0.778 -7.933 1.00 0.00 H new ATOM 0 HA LEU A 150 -8.298 -1.592 -6.979 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -6.179 -2.697 -8.529 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.264 -3.686 -7.085 1.00 0.00 H new ATOM 0 HG LEU A 150 -8.940 -3.003 -8.129 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -8.794 -4.481 -10.112 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -7.717 -3.075 -10.282 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -7.044 -4.664 -9.848 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -9.235 -5.452 -7.853 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -7.485 -5.632 -7.587 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -8.476 -4.734 -6.413 1.00 0.00 H new ATOM 889 N CYS A 151 -7.414 -1.198 -4.535 1.00 0.00 N ATOM 890 CA CYS A 151 -7.111 -1.377 -3.087 1.00 0.00 C ATOM 891 C CYS A 151 -8.073 -2.411 -2.502 1.00 0.00 C ATOM 892 O CYS A 151 -8.826 -2.132 -1.589 1.00 0.00 O ATOM 893 CB CYS A 151 -7.285 -0.043 -2.358 1.00 0.00 C ATOM 894 SG CYS A 151 -6.500 -0.141 -0.731 1.00 0.00 S ATOM 0 H CYS A 151 -8.054 -0.434 -4.754 1.00 0.00 H new ATOM 0 HA CYS A 151 -6.083 -1.720 -2.965 1.00 0.00 H new ATOM 0 HB2 CYS A 151 -6.840 0.763 -2.941 1.00 0.00 H new ATOM 0 HB3 CYS A 151 -8.344 0.189 -2.250 1.00 0.00 H new ATOM 899 N GLY A 152 -8.060 -3.602 -3.031 1.00 0.00 N ATOM 900 CA GLY A 152 -8.976 -4.659 -2.524 1.00 0.00 C ATOM 901 C GLY A 152 -9.861 -5.139 -3.673 1.00 0.00 C ATOM 902 O GLY A 152 -9.617 -6.166 -4.274 1.00 0.00 O ATOM 0 H GLY A 152 -7.451 -3.890 -3.797 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -8.402 -5.492 -2.117 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -9.590 -4.268 -1.713 1.00 0.00 H new ATOM 906 N VAL A 153 -10.886 -4.394 -3.990 1.00 0.00 N ATOM 907 CA VAL A 153 -11.787 -4.795 -5.109 1.00 0.00 C ATOM 908 C VAL A 153 -12.568 -3.571 -5.592 1.00 0.00 C ATOM 909 O VAL A 153 -12.142 -2.446 -5.426 1.00 0.00 O ATOM 910 CB VAL A 153 -12.776 -5.865 -4.639 1.00 0.00 C ATOM 911 CG1 VAL A 153 -13.040 -6.842 -5.786 1.00 0.00 C ATOM 912 CG2 VAL A 153 -12.198 -6.630 -3.446 1.00 0.00 C ATOM 0 H VAL A 153 -11.138 -3.524 -3.522 1.00 0.00 H new ATOM 0 HA VAL A 153 -11.182 -5.200 -5.921 1.00 0.00 H new ATOM 0 HB VAL A 153 -13.706 -5.384 -4.336 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -13.744 -7.607 -5.458 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -13.460 -6.302 -6.634 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -12.104 -7.314 -6.084 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -12.910 -7.388 -3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -11.265 -7.111 -3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -12.007 -5.936 -2.627 1.00 0.00 H new ATOM 922 N ASP A 154 -13.710 -3.783 -6.185 1.00 0.00 N ATOM 923 CA ASP A 154 -14.521 -2.634 -6.675 1.00 0.00 C ATOM 924 C ASP A 154 -15.688 -2.393 -5.716 1.00 0.00 C ATOM 925 O ASP A 154 -16.256 -1.320 -5.669 1.00 0.00 O ATOM 926 CB ASP A 154 -15.063 -2.950 -8.071 1.00 0.00 C ATOM 927 CG ASP A 154 -16.119 -1.912 -8.455 1.00 0.00 C ATOM 928 OD1 ASP A 154 -17.136 -1.854 -7.783 1.00 0.00 O ATOM 929 OD2 ASP A 154 -15.895 -1.194 -9.415 1.00 0.00 O ATOM 0 H ASP A 154 -14.117 -4.703 -6.352 1.00 0.00 H new ATOM 0 HA ASP A 154 -13.898 -1.741 -6.723 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -14.251 -2.944 -8.798 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -15.498 -3.949 -8.086 1.00 0.00 H new ATOM 934 N HIS A 155 -16.049 -3.385 -4.948 1.00 0.00 N ATOM 935 CA HIS A 155 -17.177 -3.217 -3.991 1.00 0.00 C ATOM 936 C HIS A 155 -17.430 -4.539 -3.264 1.00 0.00 C ATOM 937 O HIS A 155 -17.234 -4.650 -2.069 1.00 0.00 O ATOM 938 CB HIS A 155 -18.439 -2.807 -4.753 1.00 0.00 C ATOM 939 CG HIS A 155 -19.605 -2.764 -3.805 1.00 0.00 C ATOM 940 ND1 HIS A 155 -20.816 -3.371 -4.094 1.00 0.00 N ATOM 941 CD2 HIS A 155 -19.760 -2.189 -2.567 1.00 0.00 C ATOM 942 CE1 HIS A 155 -21.640 -3.151 -3.052 1.00 0.00 C ATOM 943 NE2 HIS A 155 -21.045 -2.436 -2.094 1.00 0.00 N ATOM 0 H HIS A 155 -15.610 -4.306 -4.943 1.00 0.00 H new ATOM 0 HA HIS A 155 -16.924 -2.444 -3.265 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -18.296 -1.830 -5.215 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -18.637 -3.515 -5.558 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -19.000 -1.630 -2.041 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -22.657 -3.509 -2.998 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -21.446 -2.135 -1.206 1.00 0.00 H new ATOM 951 N THR A 156 -17.861 -5.545 -3.975 1.00 0.00 N ATOM 952 CA THR A 156 -18.124 -6.859 -3.324 1.00 0.00 C ATOM 953 C THR A 156 -17.013 -7.844 -3.696 1.00 0.00 C ATOM 954 O THR A 156 -16.070 -7.501 -4.380 1.00 0.00 O ATOM 955 CB THR A 156 -19.472 -7.406 -3.803 1.00 0.00 C ATOM 956 OG1 THR A 156 -19.411 -7.646 -5.203 1.00 0.00 O ATOM 957 CG2 THR A 156 -20.573 -6.387 -3.505 1.00 0.00 C ATOM 0 H THR A 156 -18.042 -5.513 -4.978 1.00 0.00 H new ATOM 0 HA THR A 156 -18.148 -6.730 -2.242 1.00 0.00 H new ATOM 0 HB THR A 156 -19.694 -8.338 -3.283 1.00 0.00 H new ATOM 0 HG1 THR A 156 -20.272 -7.998 -5.512 1.00 0.00 H new ATOM 0 HG21 THR A 156 -21.532 -6.777 -3.846 1.00 0.00 H new ATOM 0 HG22 THR A 156 -20.617 -6.203 -2.432 1.00 0.00 H new ATOM 0 HG23 THR A 156 -20.355 -5.454 -4.025 1.00 0.00 H new ATOM 965 N GLU A 157 -17.118 -9.067 -3.252 1.00 0.00 N ATOM 966 CA GLU A 157 -16.067 -10.071 -3.581 1.00 0.00 C ATOM 967 C GLU A 157 -16.727 -11.344 -4.115 1.00 0.00 C ATOM 968 O GLU A 157 -17.930 -11.416 -4.260 1.00 0.00 O ATOM 969 CB GLU A 157 -15.265 -10.402 -2.320 1.00 0.00 C ATOM 970 CG GLU A 157 -14.849 -9.105 -1.625 1.00 0.00 C ATOM 971 CD GLU A 157 -15.904 -8.719 -0.586 1.00 0.00 C ATOM 972 OE1 GLU A 157 -16.675 -9.585 -0.205 1.00 0.00 O ATOM 973 OE2 GLU A 157 -15.925 -7.566 -0.190 1.00 0.00 O ATOM 0 H GLU A 157 -17.885 -9.414 -2.676 1.00 0.00 H new ATOM 0 HA GLU A 157 -15.399 -9.663 -4.339 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -15.864 -11.013 -1.645 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -14.383 -10.987 -2.580 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -13.880 -9.233 -1.144 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -14.737 -8.307 -2.359 1.00 0.00 H new ATOM 980 N ARG A 158 -15.948 -12.349 -4.407 1.00 0.00 N ATOM 981 CA ARG A 158 -16.530 -13.616 -4.931 1.00 0.00 C ATOM 982 C ARG A 158 -15.679 -14.800 -4.467 1.00 0.00 C ATOM 983 O ARG A 158 -16.112 -15.619 -3.683 1.00 0.00 O ATOM 984 CB ARG A 158 -16.553 -13.572 -6.459 1.00 0.00 C ATOM 985 CG ARG A 158 -17.153 -12.243 -6.924 1.00 0.00 C ATOM 986 CD ARG A 158 -17.404 -12.295 -8.432 1.00 0.00 C ATOM 987 NE ARG A 158 -16.747 -11.127 -9.085 1.00 0.00 N ATOM 988 CZ ARG A 158 -16.816 -9.947 -8.533 1.00 0.00 C ATOM 989 NH1 ARG A 158 -17.953 -9.510 -8.065 1.00 0.00 N ATOM 990 NH2 ARG A 158 -15.746 -9.204 -8.448 1.00 0.00 N ATOM 0 H ARG A 158 -14.933 -12.347 -4.305 1.00 0.00 H new ATOM 0 HA ARG A 158 -17.547 -13.731 -4.555 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -15.542 -13.684 -6.852 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -17.140 -14.404 -6.848 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -18.087 -12.049 -6.396 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -16.476 -11.423 -6.686 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -17.012 -13.224 -8.845 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -18.475 -12.283 -8.634 1.00 0.00 H new ATOM 0 HE ARG A 158 -16.243 -11.250 -9.963 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -18.789 -10.091 -8.131 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -18.006 -8.587 -7.634 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -14.857 -9.546 -8.813 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -15.799 -8.281 -8.017 1.00 0.00 H new ATOM 1004 N ARG A 159 -14.468 -14.895 -4.946 1.00 0.00 N ATOM 1005 CA ARG A 159 -13.590 -16.026 -4.532 1.00 0.00 C ATOM 1006 C ARG A 159 -12.604 -15.542 -3.468 1.00 0.00 C ATOM 1007 O ARG A 159 -12.831 -14.477 -2.919 1.00 0.00 O ATOM 1008 CB ARG A 159 -12.818 -16.542 -5.747 1.00 0.00 C ATOM 1009 CG ARG A 159 -13.804 -17.024 -6.813 1.00 0.00 C ATOM 1010 CD ARG A 159 -13.378 -16.490 -8.183 1.00 0.00 C ATOM 1011 NE ARG A 159 -14.323 -16.985 -9.223 1.00 0.00 N ATOM 1012 CZ ARG A 159 -13.863 -17.449 -10.354 1.00 0.00 C ATOM 1013 NH1 ARG A 159 -13.162 -16.677 -11.140 1.00 0.00 N ATOM 1014 NH2 ARG A 159 -14.103 -18.684 -10.698 1.00 0.00 N ATOM 1015 OXT ARG A 159 -11.638 -16.245 -3.220 1.00 0.00 O ATOM 0 H ARG A 159 -14.049 -14.239 -5.605 1.00 0.00 H new ATOM 0 HA ARG A 159 -14.201 -16.830 -4.122 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -12.186 -15.751 -6.152 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -12.158 -17.358 -5.452 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -13.834 -18.113 -6.829 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -14.811 -16.681 -6.574 1.00 0.00 H new ATOM 0 HD2 ARG A 159 -13.368 -15.400 -8.174 1.00 0.00 H new ATOM 0 HD3 ARG A 159 -12.364 -16.816 -8.413 1.00 0.00 H new ATOM 0 HE ARG A 159 -15.328 -16.962 -9.052 1.00 0.00 H new ATOM 0 HH11 ARG A 159 -12.974 -15.711 -10.871 1.00 0.00 H new ATOM 0 HH12 ARG A 159 -12.803 -17.040 -12.023 1.00 0.00 H new ATOM 0 HH21 ARG A 159 -14.650 -19.287 -10.084 1.00 0.00 H new ATOM 0 HH22 ARG A 159 -13.744 -19.046 -11.581 1.00 0.00 H new TER 1029 ARG A 159 HETATM 1030 ZN ZN A 1 -4.392 -0.936 -1.156 1.00 0.00 ZN HETATM 1031 ZN ZN A 2 7.948 -2.138 -6.319 1.00 0.00 ZN