USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 595 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 TYR OH : rot -32:sc= 1.98 USER MOD Set 1.2: A 59 ASN : amide:sc= 0.154 K(o=2.3,f=-7.5!) USER MOD Set 1.3: A 60 LYS NZ :NH3+ -147:sc= 0.193 (180deg=0.103) USER MOD Set 2.1: A 12 TYR OH : rot -27:sc= 2.12 USER MOD Set 2.2: A 48 GLN : amide:sc= 1.13 K(o=3.2,f=1.1) USER MOD Single : A 1 LYS N :NH3+ 133:sc= 0.0814 (180deg=-0.00393) USER MOD Single : A 1 LYS NZ :NH3+ 168:sc= 1.89 (180deg=1.7) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 4 MET CE :methyl 180:sc= -0.309 (180deg=-0.309) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.322 F(o=-1.4!,f=-0.32) USER MOD Single : A 9 ASN : amide:sc= 1.04 K(o=1,f=-0.11) USER MOD Single : A 11 LYS NZ :NH3+ 171:sc= 0.907 (180deg=0.852) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.0439 USER MOD Single : A 18 LYS NZ :NH3+ 156:sc= 1.17 (180deg=0.068) USER MOD Single : A 22 LYS NZ :NH3+ 169:sc= -0.217 (180deg=-0.485) USER MOD Single : A 23 LYS NZ :NH3+ -131:sc= 1.09 (180deg=-0.683) USER MOD Single : A 25 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0826) USER MOD Single : A 38 ASN : amide:sc= 0.423! C(o=0.42!,f=-4.3!) USER MOD Single : A 47 HIS : no HE2:sc= 0.176 K(o=0.18,f=-3.9!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -150:sc= 0.812 (180deg=0.244) USER MOD Single : A 66 SER OG : rot 66:sc= 1.31 USER MOD Single : A 74 ASN : amide:sc= 1.05 K(o=1.1,f=-6.3!) USER MOD Single : A 75 MET CE :methyl -178:sc= 0 (180deg=-0.00684) USER MOD Single : A 79 TYR OH : rot 143:sc= 1.29 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -5.893 17.131 -6.447 1.00 0.00 N ATOM 2 CA LYS A 1 -4.933 16.042 -6.702 1.00 0.00 C ATOM 3 C LYS A 1 -3.828 16.492 -7.657 1.00 0.00 C ATOM 4 O LYS A 1 -4.010 17.455 -8.401 1.00 0.00 O ATOM 5 CB LYS A 1 -5.635 14.784 -7.231 1.00 0.00 C ATOM 6 CG LYS A 1 -6.361 14.983 -8.568 1.00 0.00 C ATOM 7 CD LYS A 1 -7.036 13.684 -9.036 1.00 0.00 C ATOM 8 CE LYS A 1 -6.012 12.599 -9.397 1.00 0.00 C ATOM 9 NZ LYS A 1 -6.656 11.414 -9.984 1.00 0.00 N ATOM 0 H1 LYS A 1 -6.863 16.768 -6.542 1.00 0.00 H new ATOM 0 H2 LYS A 1 -5.753 17.498 -5.484 1.00 0.00 H new ATOM 0 H3 LYS A 1 -5.741 17.896 -7.135 1.00 0.00 H new ATOM 0 HA LYS A 1 -4.471 15.786 -5.748 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -4.896 13.991 -7.346 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.355 14.443 -6.487 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -7.110 15.768 -8.464 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -5.651 15.319 -9.323 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -7.694 13.314 -8.249 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.663 13.893 -9.903 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -5.286 13.005 -10.101 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -5.461 12.308 -8.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -5.931 10.794 -10.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -7.172 10.897 -9.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -7.321 11.712 -10.726 1.00 0.00 H new ATOM 25 N ALA A 2 -2.697 15.781 -7.668 1.00 0.00 N ATOM 26 CA ALA A 2 -1.674 15.986 -8.683 1.00 0.00 C ATOM 27 C ALA A 2 -2.067 15.250 -9.966 1.00 0.00 C ATOM 28 O ALA A 2 -2.881 14.329 -9.949 1.00 0.00 O ATOM 29 CB ALA A 2 -0.305 15.546 -8.164 1.00 0.00 C ATOM 0 H ALA A 2 -2.472 15.060 -6.983 1.00 0.00 H new ATOM 0 HA ALA A 2 -1.599 17.048 -8.915 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.446 15.707 -8.937 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.047 16.129 -7.280 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.337 14.488 -7.904 1.00 0.00 H new ATOM 35 N THR A 3 -1.490 15.672 -11.090 1.00 0.00 N ATOM 36 CA THR A 3 -1.862 15.232 -12.424 1.00 0.00 C ATOM 37 C THR A 3 -1.387 13.811 -12.731 1.00 0.00 C ATOM 38 O THR A 3 -1.970 13.143 -13.584 1.00 0.00 O ATOM 39 CB THR A 3 -1.257 16.238 -13.412 1.00 0.00 C ATOM 40 OG1 THR A 3 0.046 16.577 -12.968 1.00 0.00 O ATOM 41 CG2 THR A 3 -2.094 17.520 -13.458 1.00 0.00 C ATOM 0 H THR A 3 -0.728 16.350 -11.092 1.00 0.00 H new ATOM 0 HA THR A 3 -2.948 15.199 -12.507 1.00 0.00 H new ATOM 0 HB THR A 3 -1.234 15.788 -14.404 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.447 17.219 -13.591 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.648 18.220 -14.164 1.00 0.00 H new ATOM 0 HG22 THR A 3 -3.109 17.281 -13.776 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.121 17.972 -12.467 1.00 0.00 H new ATOM 49 N MET A 4 -0.314 13.349 -12.081 1.00 0.00 N ATOM 50 CA MET A 4 0.344 12.087 -12.404 1.00 0.00 C ATOM 51 C MET A 4 -0.444 10.888 -11.859 1.00 0.00 C ATOM 52 O MET A 4 0.046 10.152 -11.002 1.00 0.00 O ATOM 53 CB MET A 4 1.795 12.121 -11.900 1.00 0.00 C ATOM 54 CG MET A 4 2.584 13.269 -12.545 1.00 0.00 C ATOM 55 SD MET A 4 4.384 13.201 -12.346 1.00 0.00 S ATOM 56 CE MET A 4 4.526 13.217 -10.548 1.00 0.00 C ATOM 0 H MET A 4 0.124 13.849 -11.308 1.00 0.00 H new ATOM 0 HA MET A 4 0.368 11.961 -13.486 1.00 0.00 H new ATOM 0 HB2 MET A 4 1.803 12.236 -10.816 1.00 0.00 H new ATOM 0 HB3 MET A 4 2.282 11.172 -12.124 1.00 0.00 H new ATOM 0 HG2 MET A 4 2.356 13.287 -13.611 1.00 0.00 H new ATOM 0 HG3 MET A 4 2.227 14.210 -12.127 1.00 0.00 H new ATOM 0 HE1 MET A 4 5.578 13.179 -10.266 1.00 0.00 H new ATOM 0 HE2 MET A 4 4.078 14.130 -10.156 1.00 0.00 H new ATOM 0 HE3 MET A 4 4.008 12.352 -10.134 1.00 0.00 H new ATOM 66 N GLN A 5 -1.650 10.683 -12.400 1.00 0.00 N ATOM 67 CA GLN A 5 -2.655 9.682 -12.053 1.00 0.00 C ATOM 68 C GLN A 5 -3.061 9.682 -10.574 1.00 0.00 C ATOM 69 O GLN A 5 -4.188 10.055 -10.256 1.00 0.00 O ATOM 70 CB GLN A 5 -2.394 8.298 -12.689 1.00 0.00 C ATOM 71 CG GLN A 5 -1.002 7.652 -12.576 1.00 0.00 C ATOM 72 CD GLN A 5 -0.741 6.954 -11.243 1.00 0.00 C ATOM 73 OE1 GLN A 5 0.152 7.498 -10.422 1.00 0.00 O flip ATOM 74 NE2 GLN A 5 -1.329 5.917 -10.958 1.00 0.00 N flip ATOM 0 H GLN A 5 -1.974 11.273 -13.166 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.573 10.008 -12.542 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.111 7.601 -12.256 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.629 8.379 -13.750 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.884 6.927 -13.382 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.244 8.421 -12.725 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.009 5.522 -11.607 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.138 5.449 -10.072 1.00 0.00 H new ATOM 83 N CYS A 6 -2.157 9.291 -9.679 1.00 0.00 N ATOM 84 CA CYS A 6 -2.294 9.292 -8.229 1.00 0.00 C ATOM 85 C CYS A 6 -3.445 8.428 -7.701 1.00 0.00 C ATOM 86 O CYS A 6 -3.192 7.413 -7.057 1.00 0.00 O ATOM 87 CB CYS A 6 -2.349 10.722 -7.687 1.00 0.00 C ATOM 88 SG CYS A 6 -0.893 11.761 -7.945 1.00 0.00 S ATOM 0 H CYS A 6 -1.245 8.940 -9.972 1.00 0.00 H new ATOM 0 HA CYS A 6 -1.395 8.811 -7.844 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.205 11.222 -8.140 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -2.541 10.670 -6.615 1.00 0.00 H new ATOM 93 N GLY A 7 -4.698 8.828 -7.934 1.00 0.00 N ATOM 94 CA GLY A 7 -5.887 8.095 -7.524 1.00 0.00 C ATOM 95 C GLY A 7 -6.998 9.057 -7.111 1.00 0.00 C ATOM 96 O GLY A 7 -7.633 9.666 -7.970 1.00 0.00 O ATOM 0 H GLY A 7 -4.913 9.695 -8.427 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.232 7.464 -8.343 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.644 7.434 -6.692 1.00 0.00 H new ATOM 100 N GLU A 8 -7.241 9.182 -5.801 1.00 0.00 N ATOM 101 CA GLU A 8 -8.268 10.054 -5.243 1.00 0.00 C ATOM 102 C GLU A 8 -7.722 11.487 -5.135 1.00 0.00 C ATOM 103 O GLU A 8 -6.929 11.915 -5.972 1.00 0.00 O ATOM 104 CB GLU A 8 -8.721 9.499 -3.882 1.00 0.00 C ATOM 105 CG GLU A 8 -9.133 8.020 -3.914 1.00 0.00 C ATOM 106 CD GLU A 8 -9.752 7.565 -2.589 1.00 0.00 C ATOM 107 OE1 GLU A 8 -9.796 8.396 -1.653 1.00 0.00 O ATOM 108 OE2 GLU A 8 -10.197 6.398 -2.548 1.00 0.00 O ATOM 0 H GLU A 8 -6.718 8.669 -5.091 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.140 10.084 -5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.911 9.624 -3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.562 10.092 -3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.848 7.861 -4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.260 7.406 -4.136 1.00 0.00 H new ATOM 115 N ASN A 9 -8.097 12.225 -4.079 1.00 0.00 N ATOM 116 CA ASN A 9 -7.545 13.542 -3.769 1.00 0.00 C ATOM 117 C ASN A 9 -6.107 13.374 -3.276 1.00 0.00 C ATOM 118 O ASN A 9 -5.827 13.568 -2.095 1.00 0.00 O ATOM 119 CB ASN A 9 -8.396 14.258 -2.709 1.00 0.00 C ATOM 120 CG ASN A 9 -9.823 14.511 -3.177 1.00 0.00 C ATOM 121 OD1 ASN A 9 -10.045 15.218 -4.154 1.00 0.00 O ATOM 122 ND2 ASN A 9 -10.807 13.929 -2.495 1.00 0.00 N ATOM 0 H ASN A 9 -8.802 11.915 -3.411 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.555 14.156 -4.670 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.417 13.658 -1.799 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -7.927 15.208 -2.453 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -11.776 14.066 -2.781 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.592 13.346 -1.686 1.00 0.00 H new ATOM 129 N GLU A 10 -5.206 12.965 -4.172 1.00 0.00 N ATOM 130 CA GLU A 10 -3.850 12.550 -3.860 1.00 0.00 C ATOM 131 C GLU A 10 -2.843 13.439 -4.590 1.00 0.00 C ATOM 132 O GLU A 10 -2.960 13.660 -5.793 1.00 0.00 O ATOM 133 CB GLU A 10 -3.682 11.073 -4.235 1.00 0.00 C ATOM 134 CG GLU A 10 -4.437 10.155 -3.271 1.00 0.00 C ATOM 135 CD GLU A 10 -4.292 8.686 -3.653 1.00 0.00 C ATOM 136 OE1 GLU A 10 -3.173 8.161 -3.469 1.00 0.00 O ATOM 137 OE2 GLU A 10 -5.303 8.122 -4.123 1.00 0.00 O ATOM 0 H GLU A 10 -5.415 12.914 -5.169 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.661 12.660 -2.792 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.045 10.912 -5.250 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.623 10.814 -4.230 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.063 10.305 -2.258 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.493 10.426 -3.264 1.00 0.00 H new ATOM 144 N LYS A 11 -1.856 13.954 -3.856 1.00 0.00 N ATOM 145 CA LYS A 11 -0.794 14.804 -4.371 1.00 0.00 C ATOM 146 C LYS A 11 0.491 13.984 -4.425 1.00 0.00 C ATOM 147 O LYS A 11 0.731 13.158 -3.544 1.00 0.00 O ATOM 148 CB LYS A 11 -0.655 16.027 -3.457 1.00 0.00 C ATOM 149 CG LYS A 11 0.368 17.053 -3.962 1.00 0.00 C ATOM 150 CD LYS A 11 0.331 18.306 -3.079 1.00 0.00 C ATOM 151 CE LYS A 11 1.434 19.284 -3.495 1.00 0.00 C ATOM 152 NZ LYS A 11 1.377 20.526 -2.702 1.00 0.00 N ATOM 0 H LYS A 11 -1.776 13.782 -2.854 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.017 15.160 -5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.627 16.511 -3.360 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.364 15.695 -2.460 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.368 16.619 -3.950 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.149 17.320 -4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.643 18.789 -3.162 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.460 18.026 -2.033 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.408 18.812 -3.366 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.332 19.521 -4.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.221 21.102 -2.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.524 21.063 -2.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.345 20.290 -1.690 1.00 0.00 H new ATOM 166 N TYR A 12 1.311 14.208 -5.457 1.00 0.00 N ATOM 167 CA TYR A 12 2.621 13.590 -5.555 1.00 0.00 C ATOM 168 C TYR A 12 3.482 14.067 -4.386 1.00 0.00 C ATOM 169 O TYR A 12 3.511 15.262 -4.099 1.00 0.00 O ATOM 170 CB TYR A 12 3.275 13.909 -6.902 1.00 0.00 C ATOM 171 CG TYR A 12 4.508 13.066 -7.159 1.00 0.00 C ATOM 172 CD1 TYR A 12 4.357 11.702 -7.470 1.00 0.00 C ATOM 173 CD2 TYR A 12 5.799 13.601 -6.986 1.00 0.00 C ATOM 174 CE1 TYR A 12 5.484 10.878 -7.611 1.00 0.00 C ATOM 175 CE2 TYR A 12 6.929 12.779 -7.148 1.00 0.00 C ATOM 176 CZ TYR A 12 6.769 11.414 -7.443 1.00 0.00 C ATOM 177 OH TYR A 12 7.858 10.604 -7.550 1.00 0.00 O ATOM 0 H TYR A 12 1.080 14.820 -6.239 1.00 0.00 H new ATOM 0 HA TYR A 12 2.520 12.506 -5.501 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.553 13.745 -7.702 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.547 14.964 -6.930 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.368 11.287 -7.601 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.922 14.643 -6.729 1.00 0.00 H new ATOM 0 HE1 TYR A 12 5.362 9.832 -7.849 1.00 0.00 H new ATOM 0 HE2 TYR A 12 7.920 13.197 -7.046 1.00 0.00 H new ATOM 0 HH TYR A 12 7.607 9.686 -7.315 1.00 0.00 H new ATOM 187 N ASP A 13 4.163 13.145 -3.707 1.00 0.00 N ATOM 188 CA ASP A 13 4.992 13.441 -2.551 1.00 0.00 C ATOM 189 C ASP A 13 6.237 12.574 -2.635 1.00 0.00 C ATOM 190 O ASP A 13 6.167 11.441 -3.101 1.00 0.00 O ATOM 191 CB ASP A 13 4.215 13.122 -1.269 1.00 0.00 C ATOM 192 CG ASP A 13 5.094 13.223 -0.026 1.00 0.00 C ATOM 193 OD1 ASP A 13 5.772 14.266 0.107 1.00 0.00 O ATOM 194 OD2 ASP A 13 5.089 12.249 0.756 1.00 0.00 O ATOM 0 H ASP A 13 4.150 12.155 -3.953 1.00 0.00 H new ATOM 0 HA ASP A 13 5.269 14.495 -2.536 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.374 13.809 -1.175 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.799 12.117 -1.338 1.00 0.00 H new ATOM 199 N SER A 14 7.372 13.071 -2.150 1.00 0.00 N ATOM 200 CA SER A 14 8.619 12.328 -2.149 1.00 0.00 C ATOM 201 C SER A 14 8.635 11.241 -1.066 1.00 0.00 C ATOM 202 O SER A 14 9.618 11.132 -0.337 1.00 0.00 O ATOM 203 CB SER A 14 9.769 13.320 -1.953 1.00 0.00 C ATOM 204 OG SER A 14 9.588 14.438 -2.804 1.00 0.00 O ATOM 0 H SER A 14 7.448 14.005 -1.746 1.00 0.00 H new ATOM 0 HA SER A 14 8.731 11.812 -3.102 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.808 13.645 -0.913 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.721 12.835 -2.171 1.00 0.00 H new ATOM 0 HG SER A 14 10.325 15.071 -2.674 1.00 0.00 H new ATOM 210 N CYS A 15 7.571 10.436 -0.946 1.00 0.00 N ATOM 211 CA CYS A 15 7.505 9.339 0.006 1.00 0.00 C ATOM 212 C CYS A 15 6.419 8.335 -0.395 1.00 0.00 C ATOM 213 O CYS A 15 5.794 8.487 -1.444 1.00 0.00 O ATOM 214 CB CYS A 15 7.328 9.890 1.427 1.00 0.00 C ATOM 215 SG CYS A 15 8.187 8.971 2.722 1.00 0.00 S ATOM 0 H CYS A 15 6.730 10.535 -1.515 1.00 0.00 H new ATOM 0 HA CYS A 15 8.444 8.786 -0.006 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.676 10.923 1.445 1.00 0.00 H new ATOM 0 HB3 CYS A 15 6.264 9.909 1.662 1.00 0.00 H new ATOM 220 N GLY A 16 6.245 7.279 0.403 1.00 0.00 N ATOM 221 CA GLY A 16 5.417 6.123 0.085 1.00 0.00 C ATOM 222 C GLY A 16 3.925 6.443 0.042 1.00 0.00 C ATOM 223 O GLY A 16 3.423 7.238 0.836 1.00 0.00 O ATOM 0 H GLY A 16 6.693 7.207 1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.723 5.720 -0.880 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.593 5.344 0.826 1.00 0.00 H new ATOM 227 N SER A 17 3.213 5.770 -0.866 1.00 0.00 N ATOM 228 CA SER A 17 1.839 6.021 -1.265 1.00 0.00 C ATOM 229 C SER A 17 0.841 6.215 -0.118 1.00 0.00 C ATOM 230 O SER A 17 -0.042 7.062 -0.208 1.00 0.00 O ATOM 231 CB SER A 17 1.417 4.894 -2.213 1.00 0.00 C ATOM 232 OG SER A 17 2.550 4.440 -2.940 1.00 0.00 O ATOM 0 H SER A 17 3.616 4.982 -1.373 1.00 0.00 H new ATOM 0 HA SER A 17 1.815 6.989 -1.765 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.981 4.071 -1.646 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.649 5.250 -2.900 1.00 0.00 H new ATOM 0 HG SER A 17 2.282 3.718 -3.546 1.00 0.00 H new ATOM 238 N LYS A 18 0.953 5.421 0.948 1.00 0.00 N ATOM 239 CA LYS A 18 0.200 5.648 2.178 1.00 0.00 C ATOM 240 C LYS A 18 1.163 5.506 3.351 1.00 0.00 C ATOM 241 O LYS A 18 0.890 4.785 4.310 1.00 0.00 O ATOM 242 CB LYS A 18 -1.022 4.717 2.305 1.00 0.00 C ATOM 243 CG LYS A 18 -2.098 4.967 1.237 1.00 0.00 C ATOM 244 CD LYS A 18 -1.877 4.125 -0.032 1.00 0.00 C ATOM 245 CE LYS A 18 -2.656 4.627 -1.257 1.00 0.00 C ATOM 246 NZ LYS A 18 -2.454 6.069 -1.505 1.00 0.00 N ATOM 0 H LYS A 18 1.566 4.606 0.981 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.219 6.654 2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.688 3.682 2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.465 4.845 3.293 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.079 4.739 1.654 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.103 6.024 0.971 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.813 4.116 -0.269 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.167 3.094 0.173 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.345 4.064 -2.137 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.719 4.432 -1.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.637 6.278 -2.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.108 6.618 -0.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.474 6.328 -1.271 1.00 0.00 H new ATOM 260 N GLU A 19 2.308 6.189 3.259 1.00 0.00 N ATOM 261 CA GLU A 19 3.237 6.261 4.372 1.00 0.00 C ATOM 262 C GLU A 19 2.593 7.041 5.525 1.00 0.00 C ATOM 263 O GLU A 19 1.456 7.507 5.415 1.00 0.00 O ATOM 264 CB GLU A 19 4.590 6.798 3.883 1.00 0.00 C ATOM 265 CG GLU A 19 5.743 6.498 4.862 1.00 0.00 C ATOM 266 CD GLU A 19 7.087 6.214 4.191 1.00 0.00 C ATOM 267 OE1 GLU A 19 7.092 5.902 2.981 1.00 0.00 O ATOM 268 OE2 GLU A 19 8.102 6.292 4.915 1.00 0.00 O ATOM 0 H GLU A 19 2.606 6.695 2.425 1.00 0.00 H new ATOM 0 HA GLU A 19 3.455 5.274 4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.820 6.359 2.912 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.516 7.875 3.736 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.860 7.346 5.536 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.468 5.639 5.475 1.00 0.00 H new ATOM 275 N CYS A 20 3.310 7.186 6.639 1.00 0.00 N ATOM 276 CA CYS A 20 2.751 7.687 7.890 1.00 0.00 C ATOM 277 C CYS A 20 2.603 9.215 7.898 1.00 0.00 C ATOM 278 O CYS A 20 3.147 9.902 8.757 1.00 0.00 O ATOM 279 CB CYS A 20 3.524 7.130 9.103 1.00 0.00 C ATOM 280 SG CYS A 20 4.291 5.486 8.941 1.00 0.00 S ATOM 0 H CYS A 20 4.302 6.957 6.697 1.00 0.00 H new ATOM 0 HA CYS A 20 1.732 7.311 7.975 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.310 7.842 9.355 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.839 7.098 9.950 1.00 0.00 H new ATOM 285 N ASP A 21 1.843 9.735 6.931 1.00 0.00 N ATOM 286 CA ASP A 21 1.423 11.126 6.828 1.00 0.00 C ATOM 287 C ASP A 21 0.086 11.265 7.583 1.00 0.00 C ATOM 288 O ASP A 21 -0.297 10.364 8.327 1.00 0.00 O ATOM 289 CB ASP A 21 1.374 11.475 5.324 1.00 0.00 C ATOM 290 CG ASP A 21 1.212 12.954 4.973 1.00 0.00 C ATOM 291 OD1 ASP A 21 1.177 13.780 5.910 1.00 0.00 O ATOM 292 OD2 ASP A 21 1.121 13.236 3.759 1.00 0.00 O ATOM 0 H ASP A 21 1.489 9.165 6.163 1.00 0.00 H new ATOM 0 HA ASP A 21 2.105 11.840 7.290 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.291 11.112 4.859 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.549 10.925 4.873 1.00 0.00 H new ATOM 297 N LYS A 22 -0.616 12.387 7.419 1.00 0.00 N ATOM 298 CA LYS A 22 -1.815 12.760 8.158 1.00 0.00 C ATOM 299 C LYS A 22 -2.889 11.656 8.209 1.00 0.00 C ATOM 300 O LYS A 22 -3.683 11.500 7.276 1.00 0.00 O ATOM 301 CB LYS A 22 -2.375 14.053 7.550 1.00 0.00 C ATOM 302 CG LYS A 22 -1.457 15.261 7.802 1.00 0.00 C ATOM 303 CD LYS A 22 -1.976 16.539 7.122 1.00 0.00 C ATOM 304 CE LYS A 22 -1.379 16.767 5.725 1.00 0.00 C ATOM 305 NZ LYS A 22 -1.770 15.725 4.761 1.00 0.00 N ATOM 0 H LYS A 22 -0.348 13.092 6.733 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.529 12.915 9.198 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.509 13.919 6.477 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.360 14.254 7.972 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.371 15.432 8.875 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.456 15.037 7.434 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.062 16.485 7.042 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.746 17.398 7.753 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.700 17.740 5.352 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.292 16.797 5.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.500 16.021 3.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.288 14.835 4.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.799 15.583 4.802 1.00 0.00 H new ATOM 319 N LYS A 23 -2.931 10.922 9.327 1.00 0.00 N ATOM 320 CA LYS A 23 -3.995 9.985 9.665 1.00 0.00 C ATOM 321 C LYS A 23 -5.174 10.747 10.258 1.00 0.00 C ATOM 322 O LYS A 23 -5.008 11.837 10.804 1.00 0.00 O ATOM 323 CB LYS A 23 -3.510 8.988 10.726 1.00 0.00 C ATOM 324 CG LYS A 23 -2.237 8.234 10.343 1.00 0.00 C ATOM 325 CD LYS A 23 -2.366 7.624 8.945 1.00 0.00 C ATOM 326 CE LYS A 23 -1.228 6.630 8.696 1.00 0.00 C ATOM 327 NZ LYS A 23 -1.377 5.405 9.503 1.00 0.00 N ATOM 0 H LYS A 23 -2.202 10.969 10.039 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.286 9.457 8.757 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.334 9.524 11.659 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.303 8.265 10.918 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.385 8.913 10.371 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.042 7.447 11.071 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.327 7.120 8.847 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.342 8.412 8.192 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.202 6.366 7.639 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.275 7.104 8.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.479 5.194 9.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.124 5.546 10.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.633 4.610 8.883 1.00 0.00 H new ATOM 341 N CYS A 24 -6.365 10.153 10.198 1.00 0.00 N ATOM 342 CA CYS A 24 -7.503 10.690 10.924 1.00 0.00 C ATOM 343 C CYS A 24 -7.324 10.409 12.413 1.00 0.00 C ATOM 344 O CYS A 24 -6.927 9.309 12.791 1.00 0.00 O ATOM 345 CB CYS A 24 -8.791 10.036 10.430 1.00 0.00 C ATOM 346 SG CYS A 24 -10.178 10.215 11.565 1.00 0.00 S ATOM 0 H CYS A 24 -6.561 9.309 9.659 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.565 11.765 10.757 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -9.062 10.470 9.468 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -8.607 8.975 10.260 1.00 0.00 H new ATOM 351 N LYS A 25 -7.672 11.379 13.262 1.00 0.00 N ATOM 352 CA LYS A 25 -7.769 11.220 14.708 1.00 0.00 C ATOM 353 C LYS A 25 -8.958 10.326 15.116 1.00 0.00 C ATOM 354 O LYS A 25 -9.764 10.697 15.963 1.00 0.00 O ATOM 355 CB LYS A 25 -7.738 12.606 15.395 1.00 0.00 C ATOM 356 CG LYS A 25 -8.571 13.756 14.788 1.00 0.00 C ATOM 357 CD LYS A 25 -10.097 13.620 14.894 1.00 0.00 C ATOM 358 CE LYS A 25 -10.606 13.829 16.324 1.00 0.00 C ATOM 359 NZ LYS A 25 -12.080 13.869 16.358 1.00 0.00 N ATOM 0 H LYS A 25 -7.900 12.323 12.949 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.896 10.677 15.070 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.064 12.471 16.426 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.699 12.934 15.430 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.276 14.686 15.274 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.308 13.850 13.734 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.570 14.347 14.233 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.396 12.631 14.546 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.245 13.024 16.964 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.204 14.759 16.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.404 13.909 17.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.416 14.711 15.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.461 13.015 15.903 1.00 0.00 H new ATOM 373 N TYR A 26 -9.059 9.124 14.539 1.00 0.00 N ATOM 374 CA TYR A 26 -10.107 8.162 14.860 1.00 0.00 C ATOM 375 C TYR A 26 -9.905 7.607 16.270 1.00 0.00 C ATOM 376 O TYR A 26 -10.883 7.365 16.975 1.00 0.00 O ATOM 377 CB TYR A 26 -10.100 7.001 13.851 1.00 0.00 C ATOM 378 CG TYR A 26 -10.792 7.223 12.518 1.00 0.00 C ATOM 379 CD1 TYR A 26 -12.110 7.722 12.457 1.00 0.00 C ATOM 380 CD2 TYR A 26 -10.149 6.825 11.331 1.00 0.00 C ATOM 381 CE1 TYR A 26 -12.762 7.849 11.218 1.00 0.00 C ATOM 382 CE2 TYR A 26 -10.794 6.980 10.093 1.00 0.00 C ATOM 383 CZ TYR A 26 -12.096 7.497 10.033 1.00 0.00 C ATOM 384 OH TYR A 26 -12.709 7.617 8.821 1.00 0.00 O ATOM 0 H TYR A 26 -8.406 8.793 13.829 1.00 0.00 H new ATOM 0 HA TYR A 26 -11.067 8.676 14.808 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.062 6.737 13.650 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.562 6.137 14.329 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.620 8.007 13.365 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -9.157 6.399 11.372 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.776 8.218 11.178 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -10.285 6.700 9.183 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.671 7.460 8.924 1.00 0.00 H new ATOM 394 N ASP A 27 -8.642 7.346 16.634 1.00 0.00 N ATOM 395 CA ASP A 27 -8.210 6.652 17.844 1.00 0.00 C ATOM 396 C ASP A 27 -9.101 5.448 18.166 1.00 0.00 C ATOM 397 O ASP A 27 -8.841 4.349 17.680 1.00 0.00 O ATOM 398 CB ASP A 27 -8.037 7.622 19.018 1.00 0.00 C ATOM 399 CG ASP A 27 -7.414 6.904 20.214 1.00 0.00 C ATOM 400 OD1 ASP A 27 -8.174 6.231 20.943 1.00 0.00 O ATOM 401 OD2 ASP A 27 -6.178 7.022 20.353 1.00 0.00 O ATOM 0 H ASP A 27 -7.853 7.632 16.055 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.221 6.235 17.653 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.405 8.458 18.718 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.004 8.039 19.299 1.00 0.00 H new ATOM 406 N GLY A 28 -10.158 5.635 18.958 1.00 0.00 N ATOM 407 CA GLY A 28 -11.154 4.610 19.210 1.00 0.00 C ATOM 408 C GLY A 28 -11.626 3.951 17.916 1.00 0.00 C ATOM 409 O GLY A 28 -11.602 2.732 17.786 1.00 0.00 O ATOM 0 H GLY A 28 -10.342 6.513 19.444 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.737 3.852 19.873 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.007 5.050 19.726 1.00 0.00 H new ATOM 413 N VAL A 29 -11.995 4.758 16.920 1.00 0.00 N ATOM 414 CA VAL A 29 -12.523 4.256 15.654 1.00 0.00 C ATOM 415 C VAL A 29 -11.438 3.579 14.792 1.00 0.00 C ATOM 416 O VAL A 29 -11.740 3.077 13.711 1.00 0.00 O ATOM 417 CB VAL A 29 -13.311 5.391 14.963 1.00 0.00 C ATOM 418 CG1 VAL A 29 -13.765 5.063 13.534 1.00 0.00 C ATOM 419 CG2 VAL A 29 -14.557 5.716 15.798 1.00 0.00 C ATOM 0 H VAL A 29 -11.936 5.775 16.969 1.00 0.00 H new ATOM 0 HA VAL A 29 -13.228 3.444 15.831 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.626 6.236 14.894 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -14.311 5.912 13.122 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -12.893 4.856 12.914 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -14.414 4.188 13.550 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -15.119 6.517 15.317 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -15.185 4.828 15.876 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.254 6.034 16.795 1.00 0.00 H new ATOM 429 N GLU A 30 -10.184 3.513 15.262 1.00 0.00 N ATOM 430 CA GLU A 30 -9.134 2.713 14.642 1.00 0.00 C ATOM 431 C GLU A 30 -8.481 1.786 15.678 1.00 0.00 C ATOM 432 O GLU A 30 -7.347 1.351 15.483 1.00 0.00 O ATOM 433 CB GLU A 30 -8.141 3.625 13.899 1.00 0.00 C ATOM 434 CG GLU A 30 -7.415 4.596 14.837 1.00 0.00 C ATOM 435 CD GLU A 30 -6.621 5.677 14.113 1.00 0.00 C ATOM 436 OE1 GLU A 30 -6.017 5.349 13.069 1.00 0.00 O ATOM 437 OE2 GLU A 30 -6.644 6.817 14.631 1.00 0.00 O ATOM 0 H GLU A 30 -9.874 4.020 16.091 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.563 2.055 13.886 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.406 3.009 13.381 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.675 4.193 13.137 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.148 5.072 15.489 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.739 4.030 15.477 1.00 0.00 H new ATOM 444 N GLU A 31 -9.198 1.442 16.758 1.00 0.00 N ATOM 445 CA GLU A 31 -8.765 0.411 17.696 1.00 0.00 C ATOM 446 C GLU A 31 -8.801 -0.961 17.020 1.00 0.00 C ATOM 447 O GLU A 31 -8.042 -1.856 17.389 1.00 0.00 O ATOM 448 CB GLU A 31 -9.600 0.457 18.985 1.00 0.00 C ATOM 449 CG GLU A 31 -11.023 -0.111 18.861 1.00 0.00 C ATOM 450 CD GLU A 31 -11.888 0.215 20.080 1.00 0.00 C ATOM 451 OE1 GLU A 31 -11.724 1.324 20.637 1.00 0.00 O ATOM 452 OE2 GLU A 31 -12.718 -0.652 20.429 1.00 0.00 O ATOM 0 H GLU A 31 -10.090 1.873 17.000 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.733 0.603 17.990 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.071 -0.096 19.762 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.667 1.492 19.320 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.496 0.292 17.965 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.970 -1.192 18.735 1.00 0.00 H new ATOM 459 N GLU A 32 -9.664 -1.113 16.009 1.00 0.00 N ATOM 460 CA GLU A 32 -9.722 -2.253 15.108 1.00 0.00 C ATOM 461 C GLU A 32 -8.481 -2.293 14.204 1.00 0.00 C ATOM 462 O GLU A 32 -8.572 -2.260 12.977 1.00 0.00 O ATOM 463 CB GLU A 32 -11.044 -2.245 14.316 1.00 0.00 C ATOM 464 CG GLU A 32 -11.364 -0.926 13.585 1.00 0.00 C ATOM 465 CD GLU A 32 -12.254 0.009 14.403 1.00 0.00 C ATOM 466 OE1 GLU A 32 -11.721 0.599 15.366 1.00 0.00 O ATOM 467 OE2 GLU A 32 -13.453 0.102 14.063 1.00 0.00 O ATOM 0 H GLU A 32 -10.370 -0.409 15.793 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.710 -3.174 15.691 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.014 -3.050 13.582 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.861 -2.469 15.002 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.432 -0.414 13.346 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.856 -1.151 12.639 1.00 0.00 H new ATOM 474 N ASP A 33 -7.307 -2.435 14.825 1.00 0.00 N ATOM 475 CA ASP A 33 -6.018 -2.587 14.165 1.00 0.00 C ATOM 476 C ASP A 33 -6.011 -3.788 13.211 1.00 0.00 C ATOM 477 O ASP A 33 -5.167 -3.871 12.324 1.00 0.00 O ATOM 478 CB ASP A 33 -4.914 -2.670 15.226 1.00 0.00 C ATOM 479 CG ASP A 33 -4.854 -4.039 15.901 1.00 0.00 C ATOM 480 OD1 ASP A 33 -5.923 -4.494 16.365 1.00 0.00 O ATOM 481 OD2 ASP A 33 -3.742 -4.607 15.936 1.00 0.00 O ATOM 0 H ASP A 33 -7.231 -2.447 15.842 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.826 -1.714 13.541 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.952 -2.455 14.762 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.082 -1.903 15.982 1.00 0.00 H new ATOM 486 N ASP A 34 -6.980 -4.696 13.386 1.00 0.00 N ATOM 487 CA ASP A 34 -7.315 -5.790 12.482 1.00 0.00 C ATOM 488 C ASP A 34 -7.344 -5.315 11.025 1.00 0.00 C ATOM 489 O ASP A 34 -7.072 -6.103 10.121 1.00 0.00 O ATOM 490 CB ASP A 34 -8.691 -6.362 12.853 1.00 0.00 C ATOM 491 CG ASP A 34 -8.791 -6.756 14.322 1.00 0.00 C ATOM 492 OD1 ASP A 34 -8.895 -5.817 15.142 1.00 0.00 O ATOM 493 OD2 ASP A 34 -8.760 -7.974 14.596 1.00 0.00 O ATOM 0 H ASP A 34 -7.581 -4.681 14.210 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.549 -6.559 12.582 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.460 -5.623 12.627 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.896 -7.235 12.233 1.00 0.00 H new ATOM 498 N GLU A 35 -7.687 -4.042 10.787 1.00 0.00 N ATOM 499 CA GLU A 35 -7.542 -3.407 9.485 1.00 0.00 C ATOM 500 C GLU A 35 -6.052 -3.336 9.114 1.00 0.00 C ATOM 501 O GLU A 35 -5.428 -2.284 9.224 1.00 0.00 O ATOM 502 CB GLU A 35 -8.170 -2.005 9.535 1.00 0.00 C ATOM 503 CG GLU A 35 -9.681 -2.030 9.808 1.00 0.00 C ATOM 504 CD GLU A 35 -10.458 -2.708 8.685 1.00 0.00 C ATOM 505 OE1 GLU A 35 -10.557 -2.081 7.607 1.00 0.00 O ATOM 506 OE2 GLU A 35 -10.932 -3.840 8.920 1.00 0.00 O ATOM 0 H GLU A 35 -8.075 -3.426 11.502 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.056 -3.989 8.720 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.676 -1.420 10.311 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.986 -1.497 8.588 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.870 -2.553 10.746 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.043 -1.009 9.933 1.00 0.00 H new ATOM 513 N GLU A 36 -5.487 -4.462 8.668 1.00 0.00 N ATOM 514 CA GLU A 36 -4.056 -4.630 8.449 1.00 0.00 C ATOM 515 C GLU A 36 -3.374 -3.511 7.638 1.00 0.00 C ATOM 516 O GLU A 36 -2.257 -3.144 7.993 1.00 0.00 O ATOM 517 CB GLU A 36 -3.733 -6.019 7.873 1.00 0.00 C ATOM 518 CG GLU A 36 -4.242 -7.163 8.763 1.00 0.00 C ATOM 519 CD GLU A 36 -3.674 -8.506 8.319 1.00 0.00 C ATOM 520 OE1 GLU A 36 -4.090 -8.963 7.232 1.00 0.00 O ATOM 521 OE2 GLU A 36 -2.827 -9.044 9.064 1.00 0.00 O ATOM 0 H GLU A 36 -6.028 -5.298 8.446 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.619 -4.548 9.444 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.178 -6.109 6.882 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.654 -6.114 7.748 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.962 -6.972 9.799 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.331 -7.197 8.728 1.00 0.00 H new ATOM 528 N PRO A 37 -3.939 -2.988 6.537 1.00 0.00 N ATOM 529 CA PRO A 37 -3.246 -1.982 5.748 1.00 0.00 C ATOM 530 C PRO A 37 -3.601 -0.559 6.192 1.00 0.00 C ATOM 531 O PRO A 37 -4.733 -0.293 6.585 1.00 0.00 O ATOM 532 CB PRO A 37 -3.699 -2.249 4.321 1.00 0.00 C ATOM 533 CG PRO A 37 -5.152 -2.694 4.503 1.00 0.00 C ATOM 534 CD PRO A 37 -5.132 -3.447 5.837 1.00 0.00 C ATOM 0 HA PRO A 37 -2.164 -2.048 5.862 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.624 -1.357 3.699 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.096 -3.022 3.843 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.832 -1.842 4.533 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.481 -3.335 3.685 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.030 -3.237 6.417 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.100 -4.525 5.677 1.00 0.00 H new ATOM 542 N ASN A 38 -2.632 0.361 6.084 1.00 0.00 N ATOM 543 CA ASN A 38 -2.784 1.808 6.258 1.00 0.00 C ATOM 544 C ASN A 38 -3.076 2.226 7.704 1.00 0.00 C ATOM 545 O ASN A 38 -2.391 3.123 8.192 1.00 0.00 O ATOM 546 CB ASN A 38 -3.747 2.402 5.218 1.00 0.00 C ATOM 547 CG ASN A 38 -3.956 3.927 5.249 1.00 0.00 C ATOM 548 OD1 ASN A 38 -4.715 4.444 4.436 1.00 0.00 O ATOM 549 ND2 ASN A 38 -3.318 4.701 6.127 1.00 0.00 N ATOM 0 H ASN A 38 -1.672 0.099 5.861 1.00 0.00 H new ATOM 0 HA ASN A 38 -1.811 2.256 6.057 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.385 2.130 4.227 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.719 1.924 5.344 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.464 5.710 6.117 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -2.684 4.284 6.808 1.00 0.00 H new ATOM 556 N VAL A 39 -4.035 1.618 8.407 1.00 0.00 N ATOM 557 CA VAL A 39 -4.253 1.899 9.825 1.00 0.00 C ATOM 558 C VAL A 39 -2.931 1.773 10.601 1.00 0.00 C ATOM 559 O VAL A 39 -2.441 2.781 11.108 1.00 0.00 O ATOM 560 CB VAL A 39 -5.419 1.075 10.405 1.00 0.00 C ATOM 561 CG1 VAL A 39 -5.508 1.236 11.929 1.00 0.00 C ATOM 562 CG2 VAL A 39 -6.745 1.524 9.785 1.00 0.00 C ATOM 0 H VAL A 39 -4.674 0.926 8.014 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.575 2.934 9.939 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.231 0.028 10.168 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.340 0.643 12.310 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.579 0.894 12.386 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.668 2.286 12.175 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.560 0.934 10.203 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.911 2.579 10.004 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.709 1.379 8.705 1.00 0.00 H new ATOM 572 N PRO A 40 -2.272 0.602 10.645 1.00 0.00 N ATOM 573 CA PRO A 40 -0.952 0.469 11.256 1.00 0.00 C ATOM 574 C PRO A 40 0.158 1.012 10.337 1.00 0.00 C ATOM 575 O PRO A 40 1.235 0.425 10.279 1.00 0.00 O ATOM 576 CB PRO A 40 -0.801 -1.040 11.490 1.00 0.00 C ATOM 577 CG PRO A 40 -1.534 -1.621 10.282 1.00 0.00 C ATOM 578 CD PRO A 40 -2.741 -0.694 10.173 1.00 0.00 C ATOM 0 HA PRO A 40 -0.862 1.045 12.177 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.245 -1.346 11.519 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.252 -1.354 12.431 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.920 -1.600 9.382 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.828 -2.658 10.442 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.099 -0.633 9.145 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.572 -1.056 10.779 1.00 0.00 H new ATOM 586 N CYS A 41 -0.063 2.159 9.678 1.00 0.00 N ATOM 587 CA CYS A 41 0.746 2.745 8.605 1.00 0.00 C ATOM 588 C CYS A 41 1.201 1.773 7.505 1.00 0.00 C ATOM 589 O CYS A 41 0.784 1.926 6.359 1.00 0.00 O ATOM 590 CB CYS A 41 1.924 3.519 9.197 1.00 0.00 C ATOM 591 SG CYS A 41 2.911 4.305 7.913 1.00 0.00 S ATOM 0 H CYS A 41 -0.871 2.742 9.899 1.00 0.00 H new ATOM 0 HA CYS A 41 0.077 3.428 8.081 1.00 0.00 H new ATOM 0 HB2 CYS A 41 1.553 4.277 9.887 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.552 2.841 9.776 1.00 0.00 H new ATOM 596 N LEU A 42 2.043 0.785 7.817 1.00 0.00 N ATOM 597 CA LEU A 42 2.468 -0.309 6.948 1.00 0.00 C ATOM 598 C LEU A 42 3.447 0.141 5.862 1.00 0.00 C ATOM 599 O LEU A 42 4.556 -0.392 5.783 1.00 0.00 O ATOM 600 CB LEU A 42 1.267 -1.089 6.377 1.00 0.00 C ATOM 601 CG LEU A 42 1.670 -2.324 5.548 1.00 0.00 C ATOM 602 CD1 LEU A 42 2.406 -3.376 6.387 1.00 0.00 C ATOM 603 CD2 LEU A 42 0.419 -2.972 4.948 1.00 0.00 C ATOM 0 H LEU A 42 2.471 0.726 8.741 1.00 0.00 H new ATOM 0 HA LEU A 42 3.025 -1.005 7.576 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.627 -1.407 7.200 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.674 -0.421 5.753 1.00 0.00 H new ATOM 0 HG LEU A 42 2.345 -1.977 4.766 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.668 -4.226 5.757 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.314 -2.939 6.803 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.760 -3.712 7.198 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.707 -3.845 4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.252 -3.278 5.750 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.089 -2.254 4.304 1.00 0.00 H new ATOM 615 N VAL A 43 3.054 1.100 5.019 1.00 0.00 N ATOM 616 CA VAL A 43 3.775 1.490 3.811 1.00 0.00 C ATOM 617 C VAL A 43 4.962 2.404 4.159 1.00 0.00 C ATOM 618 O VAL A 43 5.105 3.505 3.630 1.00 0.00 O ATOM 619 CB VAL A 43 2.790 2.118 2.798 1.00 0.00 C ATOM 620 CG1 VAL A 43 3.400 2.263 1.395 1.00 0.00 C ATOM 621 CG2 VAL A 43 1.511 1.275 2.654 1.00 0.00 C ATOM 0 H VAL A 43 2.201 1.640 5.165 1.00 0.00 H new ATOM 0 HA VAL A 43 4.206 0.610 3.333 1.00 0.00 H new ATOM 0 HB VAL A 43 2.558 3.104 3.201 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.666 2.709 0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.281 2.902 1.446 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.686 1.281 1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.843 1.748 1.934 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.771 0.275 2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.011 1.204 3.620 1.00 0.00 H new ATOM 631 N ARG A 44 5.860 1.938 5.030 1.00 0.00 N ATOM 632 CA ARG A 44 7.072 2.656 5.409 1.00 0.00 C ATOM 633 C ARG A 44 8.144 2.432 4.339 1.00 0.00 C ATOM 634 O ARG A 44 9.225 1.923 4.623 1.00 0.00 O ATOM 635 CB ARG A 44 7.529 2.198 6.800 1.00 0.00 C ATOM 636 CG ARG A 44 6.506 2.584 7.886 1.00 0.00 C ATOM 637 CD ARG A 44 6.355 1.465 8.918 1.00 0.00 C ATOM 638 NE ARG A 44 5.817 0.266 8.268 1.00 0.00 N ATOM 639 CZ ARG A 44 5.933 -0.993 8.703 1.00 0.00 C ATOM 640 NH1 ARG A 44 6.391 -1.259 9.929 1.00 0.00 N ATOM 641 NH2 ARG A 44 5.585 -1.973 7.867 1.00 0.00 N ATOM 0 H ARG A 44 5.761 1.037 5.497 1.00 0.00 H new ATOM 0 HA ARG A 44 6.881 3.727 5.468 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.671 1.117 6.800 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.495 2.646 7.033 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.825 3.501 8.382 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.540 2.791 7.424 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.321 1.243 9.372 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.691 1.784 9.721 1.00 0.00 H new ATOM 0 HE ARG A 44 5.303 0.406 7.398 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.659 -0.496 10.550 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.473 -2.226 10.244 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.244 -1.749 6.932 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.660 -2.946 8.163 1.00 0.00 H new ATOM 655 N VAL A 45 7.821 2.798 3.097 1.00 0.00 N ATOM 656 CA VAL A 45 8.676 2.639 1.932 1.00 0.00 C ATOM 657 C VAL A 45 8.662 3.965 1.177 1.00 0.00 C ATOM 658 O VAL A 45 7.795 4.210 0.342 1.00 0.00 O ATOM 659 CB VAL A 45 8.228 1.433 1.080 1.00 0.00 C ATOM 660 CG1 VAL A 45 8.697 0.125 1.729 1.00 0.00 C ATOM 661 CG2 VAL A 45 6.711 1.341 0.853 1.00 0.00 C ATOM 0 H VAL A 45 6.924 3.228 2.873 1.00 0.00 H new ATOM 0 HA VAL A 45 9.703 2.411 2.216 1.00 0.00 H new ATOM 0 HB VAL A 45 8.689 1.588 0.104 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.375 -0.719 1.119 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.784 0.125 1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.265 0.038 2.726 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.487 0.465 0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.204 1.255 1.814 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.365 2.238 0.339 1.00 0.00 H new ATOM 671 N CYS A 46 9.617 4.842 1.500 1.00 0.00 N ATOM 672 CA CYS A 46 9.635 6.232 1.054 1.00 0.00 C ATOM 673 C CYS A 46 10.054 6.376 -0.413 1.00 0.00 C ATOM 674 O CYS A 46 11.036 7.041 -0.728 1.00 0.00 O ATOM 675 CB CYS A 46 10.495 7.050 2.024 1.00 0.00 C ATOM 676 SG CYS A 46 10.169 8.829 2.070 1.00 0.00 S ATOM 0 H CYS A 46 10.413 4.598 2.090 1.00 0.00 H new ATOM 0 HA CYS A 46 8.621 6.632 1.077 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.355 6.649 3.028 1.00 0.00 H new ATOM 0 HB3 CYS A 46 11.543 6.900 1.764 1.00 0.00 H new ATOM 681 N HIS A 47 9.294 5.754 -1.322 1.00 0.00 N ATOM 682 CA HIS A 47 9.643 5.595 -2.729 1.00 0.00 C ATOM 683 C HIS A 47 8.875 6.564 -3.636 1.00 0.00 C ATOM 684 O HIS A 47 8.519 6.216 -4.759 1.00 0.00 O ATOM 685 CB HIS A 47 9.455 4.125 -3.131 1.00 0.00 C ATOM 686 CG HIS A 47 8.020 3.651 -3.141 1.00 0.00 C ATOM 687 ND1 HIS A 47 7.006 4.209 -3.878 1.00 0.00 N ATOM 688 CD2 HIS A 47 7.510 2.543 -2.520 1.00 0.00 C ATOM 689 CE1 HIS A 47 5.903 3.483 -3.674 1.00 0.00 C ATOM 690 NE2 HIS A 47 6.154 2.451 -2.852 1.00 0.00 N ATOM 0 H HIS A 47 8.393 5.337 -1.087 1.00 0.00 H new ATOM 0 HA HIS A 47 10.692 5.858 -2.865 1.00 0.00 H new ATOM 0 HB2 HIS A 47 9.879 3.977 -4.124 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.025 3.499 -2.445 1.00 0.00 H new ATOM 0 HD1 HIS A 47 7.081 5.032 -4.476 1.00 0.00 H new ATOM 0 HD2 HIS A 47 8.057 1.861 -1.886 1.00 0.00 H new ATOM 0 HE1 HIS A 47 4.939 3.697 -4.111 1.00 0.00 H new ATOM 698 N GLN A 48 8.673 7.797 -3.173 1.00 0.00 N ATOM 699 CA GLN A 48 8.141 8.905 -3.963 1.00 0.00 C ATOM 700 C GLN A 48 6.945 8.564 -4.875 1.00 0.00 C ATOM 701 O GLN A 48 7.073 8.492 -6.099 1.00 0.00 O ATOM 702 CB GLN A 48 9.297 9.596 -4.708 1.00 0.00 C ATOM 703 CG GLN A 48 10.088 8.678 -5.655 1.00 0.00 C ATOM 704 CD GLN A 48 11.116 9.461 -6.464 1.00 0.00 C ATOM 705 OE1 GLN A 48 12.317 9.254 -6.320 1.00 0.00 O ATOM 706 NE2 GLN A 48 10.666 10.374 -7.320 1.00 0.00 N ATOM 0 H GLN A 48 8.881 8.059 -2.210 1.00 0.00 H new ATOM 0 HA GLN A 48 7.693 9.605 -3.258 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.894 10.429 -5.284 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.984 10.018 -3.974 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.592 7.904 -5.076 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.400 8.172 -6.332 1.00 0.00 H new ATOM 0 HE21 GLN A 48 9.663 10.527 -7.421 1.00 0.00 H new ATOM 0 HE22 GLN A 48 11.324 10.921 -7.875 1.00 0.00 H new ATOM 715 N ASP A 49 5.762 8.408 -4.275 1.00 0.00 N ATOM 716 CA ASP A 49 4.501 8.129 -4.968 1.00 0.00 C ATOM 717 C ASP A 49 3.535 9.312 -4.776 1.00 0.00 C ATOM 718 O ASP A 49 3.991 10.442 -4.608 1.00 0.00 O ATOM 719 CB ASP A 49 3.956 6.800 -4.430 1.00 0.00 C ATOM 720 CG ASP A 49 3.014 6.106 -5.409 1.00 0.00 C ATOM 721 OD1 ASP A 49 1.805 6.425 -5.363 1.00 0.00 O ATOM 722 OD2 ASP A 49 3.520 5.271 -6.188 1.00 0.00 O ATOM 0 H ASP A 49 5.652 8.474 -3.263 1.00 0.00 H new ATOM 0 HA ASP A 49 4.640 8.024 -6.044 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.790 6.136 -4.203 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.429 6.981 -3.493 1.00 0.00 H new ATOM 727 N CYS A 50 2.214 9.091 -4.791 1.00 0.00 N ATOM 728 CA CYS A 50 1.235 10.103 -4.403 1.00 0.00 C ATOM 729 C CYS A 50 0.560 9.675 -3.110 1.00 0.00 C ATOM 730 O CYS A 50 0.333 8.484 -2.908 1.00 0.00 O ATOM 731 CB CYS A 50 0.162 10.352 -5.466 1.00 0.00 C ATOM 732 SG CYS A 50 0.684 10.642 -7.170 1.00 0.00 S ATOM 0 H CYS A 50 1.798 8.203 -5.073 1.00 0.00 H new ATOM 0 HA CYS A 50 1.782 11.038 -4.277 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.509 9.493 -5.467 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -0.425 11.214 -5.148 1.00 0.00 H new ATOM 737 N VAL A 51 0.241 10.646 -2.253 1.00 0.00 N ATOM 738 CA VAL A 51 -0.369 10.441 -0.946 1.00 0.00 C ATOM 739 C VAL A 51 -1.580 11.367 -0.851 1.00 0.00 C ATOM 740 O VAL A 51 -1.631 12.347 -1.595 1.00 0.00 O ATOM 741 CB VAL A 51 0.671 10.732 0.156 1.00 0.00 C ATOM 742 CG1 VAL A 51 1.961 9.931 -0.062 1.00 0.00 C ATOM 743 CG2 VAL A 51 1.031 12.221 0.255 1.00 0.00 C ATOM 0 H VAL A 51 0.408 11.631 -2.461 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.699 9.411 -0.813 1.00 0.00 H new ATOM 0 HB VAL A 51 0.198 10.426 1.089 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.671 10.161 0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.734 8.865 -0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.396 10.197 -1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.766 12.366 1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.448 12.558 -0.694 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.135 12.798 0.483 1.00 0.00 H new ATOM 753 N CYS A 52 -2.547 11.093 0.038 1.00 0.00 N ATOM 754 CA CYS A 52 -3.700 11.981 0.213 1.00 0.00 C ATOM 755 C CYS A 52 -3.204 13.413 0.420 1.00 0.00 C ATOM 756 O CYS A 52 -2.349 13.661 1.273 1.00 0.00 O ATOM 757 CB CYS A 52 -4.635 11.555 1.350 1.00 0.00 C ATOM 758 SG CYS A 52 -5.415 9.930 1.260 1.00 0.00 S ATOM 0 H CYS A 52 -2.552 10.270 0.641 1.00 0.00 H new ATOM 0 HA CYS A 52 -4.300 11.918 -0.695 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.068 11.600 2.280 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -5.428 12.300 1.424 1.00 0.00 H new ATOM 763 N GLU A 53 -3.707 14.324 -0.414 1.00 0.00 N ATOM 764 CA GLU A 53 -3.243 15.692 -0.560 1.00 0.00 C ATOM 765 C GLU A 53 -3.305 16.458 0.765 1.00 0.00 C ATOM 766 O GLU A 53 -4.061 16.109 1.667 1.00 0.00 O ATOM 767 CB GLU A 53 -4.070 16.335 -1.686 1.00 0.00 C ATOM 768 CG GLU A 53 -3.778 17.816 -1.956 1.00 0.00 C ATOM 769 CD GLU A 53 -4.419 18.253 -3.270 1.00 0.00 C ATOM 770 OE1 GLU A 53 -3.745 18.092 -4.311 1.00 0.00 O ATOM 771 OE2 GLU A 53 -5.578 18.715 -3.215 1.00 0.00 O ATOM 0 H GLU A 53 -4.488 14.111 -1.034 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.188 15.720 -0.834 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.897 15.775 -2.605 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.127 16.230 -1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.162 18.424 -1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.701 17.979 -1.997 1.00 0.00 H new ATOM 778 N GLU A 54 -2.505 17.519 0.882 1.00 0.00 N ATOM 779 CA GLU A 54 -2.518 18.399 2.040 1.00 0.00 C ATOM 780 C GLU A 54 -3.945 18.898 2.296 1.00 0.00 C ATOM 781 O GLU A 54 -4.599 19.381 1.374 1.00 0.00 O ATOM 782 CB GLU A 54 -1.548 19.563 1.808 1.00 0.00 C ATOM 783 CG GLU A 54 -0.100 19.069 1.671 1.00 0.00 C ATOM 784 CD GLU A 54 0.851 20.219 1.364 1.00 0.00 C ATOM 785 OE1 GLU A 54 1.164 20.966 2.316 1.00 0.00 O ATOM 786 OE2 GLU A 54 1.235 20.336 0.180 1.00 0.00 O ATOM 0 H GLU A 54 -1.828 17.789 0.169 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.190 17.855 2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.836 20.104 0.907 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.617 20.266 2.638 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.207 18.577 2.594 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.041 18.324 0.877 1.00 0.00 H new ATOM 793 N GLY A 55 -4.438 18.737 3.528 1.00 0.00 N ATOM 794 CA GLY A 55 -5.814 19.054 3.896 1.00 0.00 C ATOM 795 C GLY A 55 -6.706 17.811 3.897 1.00 0.00 C ATOM 796 O GLY A 55 -7.722 17.786 4.593 1.00 0.00 O ATOM 0 H GLY A 55 -3.883 18.378 4.305 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.829 19.512 4.885 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.216 19.789 3.198 1.00 0.00 H new ATOM 800 N PHE A 56 -6.324 16.779 3.138 1.00 0.00 N ATOM 801 CA PHE A 56 -6.991 15.492 3.084 1.00 0.00 C ATOM 802 C PHE A 56 -6.215 14.515 3.969 1.00 0.00 C ATOM 803 O PHE A 56 -5.024 14.706 4.228 1.00 0.00 O ATOM 804 CB PHE A 56 -7.085 15.004 1.632 1.00 0.00 C ATOM 805 CG PHE A 56 -7.793 15.966 0.691 1.00 0.00 C ATOM 806 CD1 PHE A 56 -7.123 17.096 0.185 1.00 0.00 C ATOM 807 CD2 PHE A 56 -9.130 15.735 0.320 1.00 0.00 C ATOM 808 CE1 PHE A 56 -7.773 17.967 -0.705 1.00 0.00 C ATOM 809 CE2 PHE A 56 -9.787 16.613 -0.560 1.00 0.00 C ATOM 810 CZ PHE A 56 -9.103 17.723 -1.083 1.00 0.00 C ATOM 0 H PHE A 56 -5.510 16.828 2.525 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.012 15.570 3.456 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.078 14.823 1.256 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -7.608 14.048 1.616 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -6.104 17.294 0.483 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -9.655 14.877 0.714 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -7.249 18.825 -1.099 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -10.816 16.434 -0.834 1.00 0.00 H new ATOM 0 HZ PHE A 56 -9.599 18.388 -1.775 1.00 0.00 H new ATOM 820 N TYR A 57 -6.895 13.479 4.457 1.00 0.00 N ATOM 821 CA TYR A 57 -6.334 12.526 5.399 1.00 0.00 C ATOM 822 C TYR A 57 -6.377 11.130 4.805 1.00 0.00 C ATOM 823 O TYR A 57 -7.399 10.739 4.247 1.00 0.00 O ATOM 824 CB TYR A 57 -7.168 12.548 6.685 1.00 0.00 C ATOM 825 CG TYR A 57 -6.986 13.814 7.489 1.00 0.00 C ATOM 826 CD1 TYR A 57 -7.714 14.973 7.166 1.00 0.00 C ATOM 827 CD2 TYR A 57 -5.964 13.874 8.449 1.00 0.00 C ATOM 828 CE1 TYR A 57 -7.379 16.202 7.758 1.00 0.00 C ATOM 829 CE2 TYR A 57 -5.691 15.084 9.110 1.00 0.00 C ATOM 830 CZ TYR A 57 -6.375 16.255 8.739 1.00 0.00 C ATOM 831 OH TYR A 57 -6.046 17.443 9.321 1.00 0.00 O ATOM 0 H TYR A 57 -7.863 13.280 4.203 1.00 0.00 H new ATOM 0 HA TYR A 57 -5.300 12.795 5.616 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.222 12.436 6.429 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -6.896 11.691 7.302 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.531 14.918 6.462 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.387 12.990 8.680 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -7.892 17.104 7.460 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.957 15.114 9.902 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.334 17.299 9.978 1.00 0.00 H new ATOM 841 N ARG A 58 -5.312 10.344 4.980 1.00 0.00 N ATOM 842 CA ARG A 58 -5.350 8.921 4.663 1.00 0.00 C ATOM 843 C ARG A 58 -5.997 8.256 5.878 1.00 0.00 C ATOM 844 O ARG A 58 -5.378 7.457 6.579 1.00 0.00 O ATOM 845 CB ARG A 58 -3.949 8.390 4.316 1.00 0.00 C ATOM 846 CG ARG A 58 -2.891 8.606 5.408 1.00 0.00 C ATOM 847 CD ARG A 58 -1.778 9.563 4.974 1.00 0.00 C ATOM 848 NE ARG A 58 -2.253 10.959 4.936 1.00 0.00 N ATOM 849 CZ ARG A 58 -2.107 11.833 3.929 1.00 0.00 C ATOM 850 NH1 ARG A 58 -1.323 11.567 2.884 1.00 0.00 N ATOM 851 NH2 ARG A 58 -2.766 12.994 3.924 1.00 0.00 N ATOM 0 H ARG A 58 -4.415 10.672 5.339 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.934 8.699 3.770 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.022 7.323 4.106 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.609 8.873 3.400 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.374 8.999 6.303 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.453 7.645 5.678 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.937 9.482 5.663 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.412 9.275 3.989 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.745 11.296 5.764 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.818 10.682 2.838 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.229 12.248 2.131 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.392 13.228 4.694 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.643 13.647 3.150 1.00 0.00 H new ATOM 865 N ASN A 59 -7.250 8.662 6.127 1.00 0.00 N ATOM 866 CA ASN A 59 -8.044 8.402 7.314 1.00 0.00 C ATOM 867 C ASN A 59 -7.774 7.060 7.995 1.00 0.00 C ATOM 868 O ASN A 59 -7.403 7.039 9.167 1.00 0.00 O ATOM 869 CB ASN A 59 -9.531 8.653 7.024 1.00 0.00 C ATOM 870 CG ASN A 59 -10.182 7.602 6.126 1.00 0.00 C ATOM 871 OD1 ASN A 59 -9.531 6.978 5.283 1.00 0.00 O ATOM 872 ND2 ASN A 59 -11.476 7.368 6.318 1.00 0.00 N ATOM 0 H ASN A 59 -7.764 9.222 5.447 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.716 9.119 8.066 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.072 8.692 7.969 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -9.638 9.631 6.555 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.954 6.659 5.762 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -11.991 7.898 7.021 1.00 0.00 H new ATOM 879 N LYS A 60 -7.974 5.961 7.269 1.00 0.00 N ATOM 880 CA LYS A 60 -7.784 4.604 7.752 1.00 0.00 C ATOM 881 C LYS A 60 -7.337 3.700 6.612 1.00 0.00 C ATOM 882 O LYS A 60 -6.379 2.950 6.759 1.00 0.00 O ATOM 883 CB LYS A 60 -9.056 4.081 8.439 1.00 0.00 C ATOM 884 CG LYS A 60 -10.353 4.104 7.606 1.00 0.00 C ATOM 885 CD LYS A 60 -11.504 3.628 8.506 1.00 0.00 C ATOM 886 CE LYS A 60 -12.848 3.568 7.774 1.00 0.00 C ATOM 887 NZ LYS A 60 -13.329 4.905 7.392 1.00 0.00 N ATOM 0 H LYS A 60 -8.283 5.997 6.298 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.996 4.604 8.505 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.874 3.054 8.756 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.221 4.669 9.342 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.550 5.110 7.235 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.258 3.456 6.735 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.266 2.640 8.899 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.591 4.299 9.361 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.747 2.951 6.881 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.588 3.086 8.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.368 4.924 7.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.944 5.613 8.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.015 5.124 6.425 1.00 0.00 H new ATOM 901 N ASP A 61 -8.039 3.778 5.479 1.00 0.00 N ATOM 902 CA ASP A 61 -7.769 2.987 4.289 1.00 0.00 C ATOM 903 C ASP A 61 -7.949 3.896 3.076 1.00 0.00 C ATOM 904 O ASP A 61 -8.892 3.750 2.303 1.00 0.00 O ATOM 905 CB ASP A 61 -8.677 1.754 4.269 1.00 0.00 C ATOM 906 CG ASP A 61 -8.486 0.919 3.005 1.00 0.00 C ATOM 907 OD1 ASP A 61 -7.312 0.713 2.628 1.00 0.00 O ATOM 908 OD2 ASP A 61 -9.521 0.496 2.445 1.00 0.00 O ATOM 0 H ASP A 61 -8.831 4.412 5.367 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.748 2.606 4.277 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.470 1.138 5.144 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.718 2.070 4.340 1.00 0.00 H new ATOM 913 N ASP A 62 -7.029 4.854 2.965 1.00 0.00 N ATOM 914 CA ASP A 62 -6.891 5.846 1.910 1.00 0.00 C ATOM 915 C ASP A 62 -8.211 6.460 1.440 1.00 0.00 C ATOM 916 O ASP A 62 -8.367 6.721 0.251 1.00 0.00 O ATOM 917 CB ASP A 62 -6.112 5.223 0.739 1.00 0.00 C ATOM 918 CG ASP A 62 -5.511 6.281 -0.185 1.00 0.00 C ATOM 919 OD1 ASP A 62 -4.617 7.007 0.301 1.00 0.00 O ATOM 920 OD2 ASP A 62 -5.910 6.318 -1.368 1.00 0.00 O ATOM 0 H ASP A 62 -6.302 4.961 3.673 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.338 6.686 2.331 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.315 4.591 1.131 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.777 4.578 0.165 1.00 0.00 H new ATOM 925 N LYS A 63 -9.150 6.751 2.348 1.00 0.00 N ATOM 926 CA LYS A 63 -10.310 7.534 1.953 1.00 0.00 C ATOM 927 C LYS A 63 -9.848 8.989 1.994 1.00 0.00 C ATOM 928 O LYS A 63 -9.913 9.626 3.044 1.00 0.00 O ATOM 929 CB LYS A 63 -11.532 7.260 2.847 1.00 0.00 C ATOM 930 CG LYS A 63 -11.804 5.768 3.105 1.00 0.00 C ATOM 931 CD LYS A 63 -11.989 5.039 1.764 1.00 0.00 C ATOM 932 CE LYS A 63 -12.522 3.614 1.927 1.00 0.00 C ATOM 933 NZ LYS A 63 -11.595 2.783 2.708 1.00 0.00 N ATOM 0 H LYS A 63 -9.127 6.465 3.327 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.657 7.266 0.955 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.388 7.762 3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.413 7.704 2.384 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.975 5.327 3.659 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.696 5.652 3.720 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.676 5.609 1.139 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.034 5.006 1.240 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.493 3.641 2.421 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.676 3.166 0.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.674 1.793 2.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.621 3.115 2.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.834 2.852 3.718 1.00 0.00 H new ATOM 947 N CYS A 64 -9.311 9.495 0.879 1.00 0.00 N ATOM 948 CA CYS A 64 -8.712 10.823 0.828 1.00 0.00 C ATOM 949 C CYS A 64 -9.801 11.892 0.853 1.00 0.00 C ATOM 950 O CYS A 64 -10.095 12.526 -0.159 1.00 0.00 O ATOM 951 CB CYS A 64 -7.801 11.000 -0.393 1.00 0.00 C ATOM 952 SG CYS A 64 -6.407 9.860 -0.565 1.00 0.00 S ATOM 0 H CYS A 64 -9.282 8.993 -0.009 1.00 0.00 H new ATOM 0 HA CYS A 64 -8.083 10.936 1.711 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.417 10.916 -1.288 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.405 12.015 -0.373 1.00 0.00 H new ATOM 957 N VAL A 65 -10.379 12.099 2.032 1.00 0.00 N ATOM 958 CA VAL A 65 -11.318 13.158 2.363 1.00 0.00 C ATOM 959 C VAL A 65 -10.730 13.954 3.531 1.00 0.00 C ATOM 960 O VAL A 65 -9.724 13.550 4.118 1.00 0.00 O ATOM 961 CB VAL A 65 -12.712 12.572 2.654 1.00 0.00 C ATOM 962 CG1 VAL A 65 -13.471 12.356 1.340 1.00 0.00 C ATOM 963 CG2 VAL A 65 -12.654 11.234 3.402 1.00 0.00 C ATOM 0 H VAL A 65 -10.190 11.492 2.830 1.00 0.00 H new ATOM 0 HA VAL A 65 -11.462 13.840 1.525 1.00 0.00 H new ATOM 0 HB VAL A 65 -13.223 13.294 3.291 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -14.456 11.941 1.553 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -13.582 13.309 0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -12.915 11.664 0.708 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -13.667 10.871 3.578 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.107 10.506 2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.147 11.373 4.357 1.00 0.00 H new ATOM 973 N SER A 66 -11.306 15.124 3.823 1.00 0.00 N ATOM 974 CA SER A 66 -10.775 16.007 4.852 1.00 0.00 C ATOM 975 C SER A 66 -11.255 15.594 6.247 1.00 0.00 C ATOM 976 O SER A 66 -12.002 14.627 6.415 1.00 0.00 O ATOM 977 CB SER A 66 -11.095 17.472 4.525 1.00 0.00 C ATOM 978 OG SER A 66 -10.331 18.317 5.367 1.00 0.00 O ATOM 0 H SER A 66 -12.142 15.477 3.357 1.00 0.00 H new ATOM 0 HA SER A 66 -9.689 15.911 4.863 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.869 17.681 3.479 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.159 17.664 4.666 1.00 0.00 H new ATOM 0 HG SER A 66 -9.379 18.212 5.159 1.00 0.00 H new ATOM 984 N ALA A 67 -10.839 16.372 7.252 1.00 0.00 N ATOM 985 CA ALA A 67 -11.123 16.123 8.662 1.00 0.00 C ATOM 986 C ALA A 67 -12.630 16.035 8.929 1.00 0.00 C ATOM 987 O ALA A 67 -13.064 15.417 9.898 1.00 0.00 O ATOM 988 CB ALA A 67 -10.476 17.192 9.542 1.00 0.00 C ATOM 0 H ALA A 67 -10.282 17.213 7.099 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.689 15.157 8.919 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.701 16.987 10.589 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.396 17.181 9.394 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -10.869 18.172 9.272 1.00 0.00 H new ATOM 994 N GLU A 68 -13.421 16.643 8.045 1.00 0.00 N ATOM 995 CA GLU A 68 -14.864 16.506 7.991 1.00 0.00 C ATOM 996 C GLU A 68 -15.247 15.026 8.117 1.00 0.00 C ATOM 997 O GLU A 68 -15.973 14.640 9.032 1.00 0.00 O ATOM 998 CB GLU A 68 -15.369 17.091 6.660 1.00 0.00 C ATOM 999 CG GLU A 68 -14.858 18.517 6.398 1.00 0.00 C ATOM 1000 CD GLU A 68 -15.406 19.050 5.080 1.00 0.00 C ATOM 1001 OE1 GLU A 68 -14.814 18.685 4.041 1.00 0.00 O ATOM 1002 OE2 GLU A 68 -16.407 19.795 5.135 1.00 0.00 O ATOM 0 H GLU A 68 -13.055 17.265 7.324 1.00 0.00 H new ATOM 0 HA GLU A 68 -15.326 17.049 8.816 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -15.055 16.443 5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -16.459 17.096 6.662 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -15.159 19.173 7.215 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.768 18.520 6.372 1.00 0.00 H new ATOM 1009 N ASP A 69 -14.721 14.191 7.212 1.00 0.00 N ATOM 1010 CA ASP A 69 -14.987 12.760 7.236 1.00 0.00 C ATOM 1011 C ASP A 69 -14.487 12.180 8.544 1.00 0.00 C ATOM 1012 O ASP A 69 -15.216 11.477 9.231 1.00 0.00 O ATOM 1013 CB ASP A 69 -14.285 12.045 6.079 1.00 0.00 C ATOM 1014 CG ASP A 69 -14.434 10.529 6.219 1.00 0.00 C ATOM 1015 OD1 ASP A 69 -15.538 10.035 5.902 1.00 0.00 O ATOM 1016 OD2 ASP A 69 -13.447 9.894 6.651 1.00 0.00 O ATOM 0 H ASP A 69 -14.107 14.490 6.454 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.062 12.613 7.136 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -14.710 12.372 5.130 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.229 12.313 6.065 1.00 0.00 H new ATOM 1021 N CYS A 70 -13.225 12.470 8.858 1.00 0.00 N ATOM 1022 CA CYS A 70 -12.553 11.933 10.029 1.00 0.00 C ATOM 1023 C CYS A 70 -13.417 12.060 11.286 1.00 0.00 C ATOM 1024 O CYS A 70 -13.610 11.091 12.014 1.00 0.00 O ATOM 1025 CB CYS A 70 -11.231 12.672 10.224 1.00 0.00 C ATOM 1026 SG CYS A 70 -10.406 12.254 11.755 1.00 0.00 S ATOM 0 H CYS A 70 -12.640 13.090 8.299 1.00 0.00 H new ATOM 0 HA CYS A 70 -12.370 10.871 9.867 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -10.569 12.444 9.389 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -11.416 13.746 10.201 1.00 0.00 H new ATOM 1031 N GLU A 71 -13.944 13.264 11.520 1.00 0.00 N ATOM 1032 CA GLU A 71 -14.787 13.555 12.663 1.00 0.00 C ATOM 1033 C GLU A 71 -16.167 12.906 12.507 1.00 0.00 C ATOM 1034 O GLU A 71 -16.635 12.227 13.418 1.00 0.00 O ATOM 1035 CB GLU A 71 -14.877 15.077 12.838 1.00 0.00 C ATOM 1036 CG GLU A 71 -15.592 15.456 14.140 1.00 0.00 C ATOM 1037 CD GLU A 71 -15.531 16.961 14.377 1.00 0.00 C ATOM 1038 OE1 GLU A 71 -16.443 17.653 13.878 1.00 0.00 O ATOM 1039 OE2 GLU A 71 -14.563 17.390 15.043 1.00 0.00 O ATOM 0 H GLU A 71 -13.791 14.067 10.910 1.00 0.00 H new ATOM 0 HA GLU A 71 -14.348 13.128 13.565 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.874 15.504 12.836 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -15.409 15.510 11.991 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -16.632 15.133 14.096 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -15.131 14.933 14.978 1.00 0.00 H new ATOM 1046 N LEU A 72 -16.842 13.145 11.378 1.00 0.00 N ATOM 1047 CA LEU A 72 -18.226 12.710 11.201 1.00 0.00 C ATOM 1048 C LEU A 72 -18.357 11.185 11.207 1.00 0.00 C ATOM 1049 O LEU A 72 -19.355 10.654 11.691 1.00 0.00 O ATOM 1050 CB LEU A 72 -18.808 13.298 9.907 1.00 0.00 C ATOM 1051 CG LEU A 72 -18.987 14.827 9.950 1.00 0.00 C ATOM 1052 CD1 LEU A 72 -19.279 15.340 8.535 1.00 0.00 C ATOM 1053 CD2 LEU A 72 -20.134 15.246 10.880 1.00 0.00 C ATOM 0 H LEU A 72 -16.450 13.637 10.575 1.00 0.00 H new ATOM 0 HA LEU A 72 -18.797 13.084 12.051 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -18.153 13.041 9.074 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -19.774 12.833 9.709 1.00 0.00 H new ATOM 0 HG LEU A 72 -18.065 15.260 10.337 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -19.407 16.422 8.559 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -18.447 15.088 7.878 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -20.191 14.875 8.161 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -20.224 16.332 10.880 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -21.067 14.804 10.529 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -19.927 14.899 11.892 1.00 0.00 H new ATOM 1065 N ASP A 73 -17.367 10.471 10.665 1.00 0.00 N ATOM 1066 CA ASP A 73 -17.379 9.022 10.496 1.00 0.00 C ATOM 1067 C ASP A 73 -17.090 8.305 11.824 1.00 0.00 C ATOM 1068 O ASP A 73 -16.180 7.484 11.935 1.00 0.00 O ATOM 1069 CB ASP A 73 -16.377 8.661 9.391 1.00 0.00 C ATOM 1070 CG ASP A 73 -16.342 7.172 9.081 1.00 0.00 C ATOM 1071 OD1 ASP A 73 -17.438 6.579 8.978 1.00 0.00 O ATOM 1072 OD2 ASP A 73 -15.211 6.658 8.932 1.00 0.00 O ATOM 0 H ASP A 73 -16.509 10.903 10.322 1.00 0.00 H new ATOM 0 HA ASP A 73 -18.369 8.682 10.193 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -16.632 9.209 8.484 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -15.381 8.987 9.691 1.00 0.00 H new ATOM 1077 N ASN A 74 -17.892 8.610 12.843 1.00 0.00 N ATOM 1078 CA ASN A 74 -17.810 8.013 14.162 1.00 0.00 C ATOM 1079 C ASN A 74 -18.502 6.653 14.110 1.00 0.00 C ATOM 1080 O ASN A 74 -19.706 6.565 14.345 1.00 0.00 O ATOM 1081 CB ASN A 74 -18.453 8.957 15.189 1.00 0.00 C ATOM 1082 CG ASN A 74 -18.417 8.376 16.601 1.00 0.00 C ATOM 1083 OD1 ASN A 74 -17.605 8.786 17.425 1.00 0.00 O ATOM 1084 ND2 ASN A 74 -19.289 7.409 16.879 1.00 0.00 N ATOM 0 H ASN A 74 -18.638 9.302 12.764 1.00 0.00 H new ATOM 0 HA ASN A 74 -16.775 7.862 14.469 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -17.932 9.914 15.177 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -19.487 9.153 14.904 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -19.298 6.981 17.805 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -19.948 7.096 16.166 1.00 0.00 H new ATOM 1091 N MET A 75 -17.748 5.598 13.796 1.00 0.00 N ATOM 1092 CA MET A 75 -18.279 4.241 13.728 1.00 0.00 C ATOM 1093 C MET A 75 -18.864 3.818 15.080 1.00 0.00 C ATOM 1094 O MET A 75 -20.069 3.619 15.208 1.00 0.00 O ATOM 1095 CB MET A 75 -17.184 3.263 13.279 1.00 0.00 C ATOM 1096 CG MET A 75 -16.695 3.494 11.845 1.00 0.00 C ATOM 1097 SD MET A 75 -17.936 3.230 10.553 1.00 0.00 S ATOM 1098 CE MET A 75 -16.877 3.296 9.093 1.00 0.00 C ATOM 0 H MET A 75 -16.753 5.663 13.582 1.00 0.00 H new ATOM 0 HA MET A 75 -19.083 4.221 12.992 1.00 0.00 H new ATOM 0 HB2 MET A 75 -16.336 3.345 13.959 1.00 0.00 H new ATOM 0 HB3 MET A 75 -17.563 2.245 13.364 1.00 0.00 H new ATOM 0 HG2 MET A 75 -16.323 4.516 11.765 1.00 0.00 H new ATOM 0 HG3 MET A 75 -15.850 2.832 11.655 1.00 0.00 H new ATOM 0 HE1 MET A 75 -17.487 3.186 8.196 1.00 0.00 H new ATOM 0 HE2 MET A 75 -16.357 4.254 9.064 1.00 0.00 H new ATOM 0 HE3 MET A 75 -16.147 2.488 9.136 1.00 0.00 H new ATOM 1108 N ASP A 76 -17.990 3.661 16.078 1.00 0.00 N ATOM 1109 CA ASP A 76 -18.363 3.316 17.443 1.00 0.00 C ATOM 1110 C ASP A 76 -18.337 4.591 18.280 1.00 0.00 C ATOM 1111 O ASP A 76 -19.373 5.188 18.566 1.00 0.00 O ATOM 1112 CB ASP A 76 -17.407 2.243 17.984 1.00 0.00 C ATOM 1113 CG ASP A 76 -17.642 1.980 19.471 1.00 0.00 C ATOM 1114 OD1 ASP A 76 -18.731 1.455 19.787 1.00 0.00 O ATOM 1115 OD2 ASP A 76 -16.739 2.320 20.267 1.00 0.00 O ATOM 0 H ASP A 76 -16.984 3.774 15.952 1.00 0.00 H new ATOM 0 HA ASP A 76 -19.368 2.896 17.484 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -17.543 1.318 17.424 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -16.376 2.561 17.828 1.00 0.00 H new ATOM 1120 N PHE A 77 -17.137 5.033 18.654 1.00 0.00 N ATOM 1121 CA PHE A 77 -16.945 6.251 19.417 1.00 0.00 C ATOM 1122 C PHE A 77 -15.493 6.688 19.261 1.00 0.00 C ATOM 1123 O PHE A 77 -14.586 5.911 19.562 1.00 0.00 O ATOM 1124 CB PHE A 77 -17.316 6.044 20.889 1.00 0.00 C ATOM 1125 CG PHE A 77 -17.443 7.352 21.642 1.00 0.00 C ATOM 1126 CD1 PHE A 77 -16.294 7.981 22.149 1.00 0.00 C ATOM 1127 CD2 PHE A 77 -18.679 8.024 21.678 1.00 0.00 C ATOM 1128 CE1 PHE A 77 -16.375 9.275 22.690 1.00 0.00 C ATOM 1129 CE2 PHE A 77 -18.766 9.308 22.244 1.00 0.00 C ATOM 1130 CZ PHE A 77 -17.613 9.935 22.748 1.00 0.00 C ATOM 0 H PHE A 77 -16.268 4.547 18.431 1.00 0.00 H new ATOM 0 HA PHE A 77 -17.602 7.034 19.039 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -18.258 5.500 20.950 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -16.558 5.424 21.368 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -15.344 7.468 22.123 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -19.561 7.553 21.271 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -15.485 9.762 23.061 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -19.719 9.813 22.292 1.00 0.00 H new ATOM 0 HZ PHE A 77 -17.679 10.923 23.179 1.00 0.00 H new ATOM 1140 N ILE A 78 -15.262 7.913 18.786 1.00 0.00 N ATOM 1141 CA ILE A 78 -13.926 8.493 18.740 1.00 0.00 C ATOM 1142 C ILE A 78 -13.484 8.771 20.182 1.00 0.00 C ATOM 1143 O ILE A 78 -13.619 9.882 20.693 1.00 0.00 O ATOM 1144 CB ILE A 78 -13.901 9.733 17.819 1.00 0.00 C ATOM 1145 CG1 ILE A 78 -14.260 9.309 16.379 1.00 0.00 C ATOM 1146 CG2 ILE A 78 -12.514 10.396 17.825 1.00 0.00 C ATOM 1147 CD1 ILE A 78 -14.377 10.479 15.396 1.00 0.00 C ATOM 0 H ILE A 78 -15.994 8.525 18.425 1.00 0.00 H new ATOM 0 HA ILE A 78 -13.206 7.804 18.298 1.00 0.00 H new ATOM 0 HB ILE A 78 -14.630 10.454 18.190 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -13.501 8.617 16.015 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -15.205 8.766 16.396 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -12.524 11.266 17.169 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.265 10.709 18.839 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.769 9.684 17.472 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -14.631 10.099 14.407 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -15.157 11.162 15.734 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -13.426 11.010 15.347 1.00 0.00 H new ATOM 1159 N TYR A 79 -12.984 7.734 20.860 1.00 0.00 N ATOM 1160 CA TYR A 79 -12.386 7.869 22.183 1.00 0.00 C ATOM 1161 C TYR A 79 -11.203 8.850 22.120 1.00 0.00 C ATOM 1162 O TYR A 79 -10.633 9.033 21.043 1.00 0.00 O ATOM 1163 CB TYR A 79 -11.944 6.493 22.705 1.00 0.00 C ATOM 1164 CG TYR A 79 -13.065 5.482 22.883 1.00 0.00 C ATOM 1165 CD1 TYR A 79 -14.130 5.752 23.762 1.00 0.00 C ATOM 1166 CD2 TYR A 79 -13.044 4.261 22.183 1.00 0.00 C ATOM 1167 CE1 TYR A 79 -15.234 4.884 23.815 1.00 0.00 C ATOM 1168 CE2 TYR A 79 -14.166 3.417 22.199 1.00 0.00 C ATOM 1169 CZ TYR A 79 -15.276 3.745 22.992 1.00 0.00 C ATOM 1170 OH TYR A 79 -16.433 3.038 22.874 1.00 0.00 O ATOM 0 H TYR A 79 -12.984 6.778 20.503 1.00 0.00 H new ATOM 0 HA TYR A 79 -13.124 8.269 22.878 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -11.208 6.079 22.016 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.442 6.629 23.663 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -14.099 6.626 24.396 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.161 3.972 21.631 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -16.052 5.092 24.489 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -14.175 2.517 21.602 1.00 0.00 H new ATOM 0 HH TYR A 79 -16.528 2.718 21.953 1.00 0.00 H new ATOM 1180 N PRO A 80 -10.835 9.492 23.247 1.00 0.00 N ATOM 1181 CA PRO A 80 -9.711 10.416 23.319 1.00 0.00 C ATOM 1182 C PRO A 80 -8.439 9.880 22.658 1.00 0.00 C ATOM 1183 O PRO A 80 -8.205 8.675 22.638 1.00 0.00 O ATOM 1184 CB PRO A 80 -9.486 10.663 24.812 1.00 0.00 C ATOM 1185 CG PRO A 80 -10.897 10.544 25.382 1.00 0.00 C ATOM 1186 CD PRO A 80 -11.498 9.416 24.543 1.00 0.00 C ATOM 0 HA PRO A 80 -9.940 11.329 22.770 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.809 9.928 25.248 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -9.054 11.646 25.000 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -10.886 10.299 26.444 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -11.458 11.473 25.275 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -11.330 8.447 25.012 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.576 9.537 24.439 1.00 0.00 H new ATOM 1194 N GLY A 81 -7.608 10.790 22.139 1.00 0.00 N ATOM 1195 CA GLY A 81 -6.386 10.467 21.417 1.00 0.00 C ATOM 1196 C GLY A 81 -5.316 9.854 22.320 1.00 0.00 C ATOM 1197 O GLY A 81 -4.312 10.495 22.620 1.00 0.00 O ATOM 0 H GLY A 81 -7.776 11.793 22.214 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.618 9.772 20.610 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.991 11.372 20.954 1.00 0.00 H new ATOM 1201 N THR A 82 -5.518 8.605 22.735 1.00 0.00 N ATOM 1202 CA THR A 82 -4.547 7.798 23.448 1.00 0.00 C ATOM 1203 C THR A 82 -4.879 6.336 23.157 1.00 0.00 C ATOM 1204 O THR A 82 -6.046 5.947 23.220 1.00 0.00 O ATOM 1205 CB THR A 82 -4.553 8.144 24.946 1.00 0.00 C ATOM 1206 OG1 THR A 82 -3.586 7.360 25.615 1.00 0.00 O ATOM 1207 CG2 THR A 82 -5.918 7.943 25.618 1.00 0.00 C ATOM 0 H THR A 82 -6.398 8.115 22.575 1.00 0.00 H new ATOM 0 HA THR A 82 -3.529 7.999 23.114 1.00 0.00 H new ATOM 0 HB THR A 82 -4.318 9.206 25.020 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.589 7.582 26.570 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.846 8.207 26.673 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.659 8.580 25.134 1.00 0.00 H new ATOM 0 HG23 THR A 82 -6.220 6.900 25.524 1.00 0.00 H new ATOM 1215 N ARG A 83 -3.876 5.530 22.795 1.00 0.00 N ATOM 1216 CA ARG A 83 -4.084 4.164 22.329 1.00 0.00 C ATOM 1217 C ARG A 83 -4.348 3.237 23.520 1.00 0.00 C ATOM 1218 O ARG A 83 -3.540 2.365 23.833 1.00 0.00 O ATOM 1219 CB ARG A 83 -2.878 3.729 21.477 1.00 0.00 C ATOM 1220 CG ARG A 83 -3.036 2.385 20.739 1.00 0.00 C ATOM 1221 CD ARG A 83 -4.020 2.436 19.562 1.00 0.00 C ATOM 1222 NE ARG A 83 -5.417 2.437 20.011 1.00 0.00 N ATOM 1223 CZ ARG A 83 -6.447 2.933 19.312 1.00 0.00 C ATOM 1224 NH1 ARG A 83 -6.301 3.349 18.053 1.00 0.00 N ATOM 1225 NH2 ARG A 83 -7.656 3.010 19.866 1.00 0.00 N ATOM 0 H ARG A 83 -2.896 5.812 22.819 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.967 4.106 21.692 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.677 4.507 20.740 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.002 3.668 22.123 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.061 2.066 20.371 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.372 1.629 21.449 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.829 3.331 18.969 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.850 1.579 18.910 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.619 2.029 20.924 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.389 3.294 17.600 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -7.102 3.723 17.543 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.799 2.691 20.824 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.439 3.388 19.332 1.00 0.00 H new ATOM 1239 N ASN A 84 -5.478 3.452 24.197 1.00 0.00 N ATOM 1240 CA ASN A 84 -5.928 2.672 25.344 1.00 0.00 C ATOM 1241 C ASN A 84 -7.092 1.747 24.964 1.00 0.00 C ATOM 1242 O ASN A 84 -6.899 0.534 24.982 1.00 0.00 O ATOM 1243 CB ASN A 84 -6.215 3.584 26.544 1.00 0.00 C ATOM 1244 CG ASN A 84 -6.918 2.817 27.660 1.00 0.00 C ATOM 1245 OD1 ASN A 84 -8.082 3.064 27.951 1.00 0.00 O ATOM 1246 ND2 ASN A 84 -6.225 1.872 28.288 1.00 0.00 N ATOM 0 H ASN A 84 -6.125 4.201 23.950 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.124 2.008 25.662 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.281 4.002 26.918 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.836 4.422 26.228 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.661 1.330 29.034 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.257 1.689 28.024 1.00 0.00 H new ATOM 1253 N PRO A 85 -8.289 2.250 24.608 1.00 0.00 N ATOM 1254 CA PRO A 85 -9.364 1.383 24.144 1.00 0.00 C ATOM 1255 C PRO A 85 -9.017 0.780 22.780 1.00 0.00 C ATOM 1256 O PRO A 85 -9.536 -0.322 22.496 1.00 0.00 O ATOM 1257 CB PRO A 85 -10.606 2.273 24.067 1.00 0.00 C ATOM 1258 CG PRO A 85 -10.019 3.653 23.780 1.00 0.00 C ATOM 1259 CD PRO A 85 -8.715 3.643 24.573 1.00 0.00 C ATOM 1260 OXT PRO A 85 -8.254 1.436 22.036 1.00 0.00 O ATOM 0 HA PRO A 85 -9.528 0.540 24.815 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -11.286 1.951 23.278 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -11.171 2.260 24.999 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -9.843 3.803 22.715 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -10.685 4.451 24.108 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -7.962 4.271 24.097 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -8.865 4.032 25.580 1.00 0.00 H new TER 1268 PRO A 85