USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 602 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 92 SER OG : rot -37:sc= 0.506 USER MOD Set 1.2: A 94 LYS NZ :NH3+ 168:sc= 0.881 (180deg=0.632) USER MOD Set 2.1: A 45 THR OG1 : rot -120:sc= -0.026 USER MOD Set 2.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 60 ASN : amide:sc= -0.312 K(o=-0.34,f=-1) USER MOD Set 3.1: A 1 GLY N :NH3+ -151:sc= 0 (180deg=0) USER MOD Set 3.2: A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0905 USER MOD Single : A 12 THR OG1 : rot -145:sc= -0.0368 USER MOD Single : A 16 LYS NZ :NH3+ -153:sc= -1.47 (180deg=-1.7) USER MOD Single : A 17 GLN : amide:sc= -0.642 K(o=-0.64,f=-2.1) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0712 USER MOD Single : A 24 THR OG1 : rot -29:sc= 0.687 USER MOD Single : A 25 SER OG : rot -35:sc= 0.325 USER MOD Single : A 28 ASN : amide:sc= -0.0113 X(o=-0.011,f=-0.0097) USER MOD Single : A 30 THR OG1 : rot 180:sc=-0.00396 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -1.67! K(o=-1.7!,f=-0.32) USER MOD Single : A 37 SER OG : rot 150:sc= -1.17 USER MOD Single : A 39 LYS NZ :NH3+ -176:sc= -0.0231 (180deg=-0.0912) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.225 K(o=-0.23,f=-1.6!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.97 K(o=-2,f=-0.1) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -130:sc= -1.66! USER MOD Single : A 72 THR OG1 : rot 180:sc=-0.000358 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -114:sc= 0.965 USER MOD Single : A 82 LYS NZ :NH3+ -163:sc= -0.0719 (180deg=-0.386) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 8:sc= 0.925 USER MOD Single : A 98 SER OG : rot -43:sc= 0.604 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 160:sc= -0.0453 (180deg=-0.805) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.917 20.565 1.716 1.00 0.00 N ATOM 2 CA GLY A 1 25.947 21.341 0.891 1.00 0.00 C ATOM 3 C GLY A 1 24.607 20.644 0.776 1.00 0.00 C ATOM 4 O GLY A 1 23.603 21.119 1.314 1.00 0.00 O ATOM 0 H1 GLY A 1 27.583 21.219 2.175 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.403 20.028 2.443 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.442 19.906 1.106 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.805 22.327 1.333 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.361 21.495 -0.105 1.00 0.00 H new ATOM 7 N SER A 2 24.589 19.516 0.081 1.00 0.00 N ATOM 8 CA SER A 2 23.379 18.738 -0.073 1.00 0.00 C ATOM 9 C SER A 2 23.053 18.027 1.237 1.00 0.00 C ATOM 10 O SER A 2 23.598 16.959 1.537 1.00 0.00 O ATOM 11 CB SER A 2 23.543 17.733 -1.213 1.00 0.00 C ATOM 12 OG SER A 2 23.924 18.392 -2.417 1.00 0.00 O ATOM 0 H SER A 2 25.406 19.122 -0.386 1.00 0.00 H new ATOM 0 HA SER A 2 22.551 19.402 -0.322 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.296 16.992 -0.945 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.607 17.196 -1.368 1.00 0.00 H new ATOM 0 HG SER A 2 24.025 17.731 -3.134 1.00 0.00 H new ATOM 18 N MET A 3 22.199 18.645 2.026 1.00 0.00 N ATOM 19 CA MET A 3 21.827 18.116 3.323 1.00 0.00 C ATOM 20 C MET A 3 20.576 17.266 3.220 1.00 0.00 C ATOM 21 O MET A 3 19.798 17.402 2.278 1.00 0.00 O ATOM 22 CB MET A 3 21.602 19.257 4.319 1.00 0.00 C ATOM 23 CG MET A 3 22.827 20.125 4.549 1.00 0.00 C ATOM 24 SD MET A 3 24.225 19.194 5.205 1.00 0.00 S ATOM 25 CE MET A 3 25.471 20.478 5.289 1.00 0.00 C ATOM 0 H MET A 3 21.744 19.526 1.788 1.00 0.00 H new ATOM 0 HA MET A 3 22.644 17.489 3.680 1.00 0.00 H new ATOM 0 HB2 MET A 3 20.787 19.885 3.959 1.00 0.00 H new ATOM 0 HB3 MET A 3 21.283 18.836 5.273 1.00 0.00 H new ATOM 0 HG2 MET A 3 23.117 20.594 3.609 1.00 0.00 H new ATOM 0 HG3 MET A 3 22.574 20.928 5.241 1.00 0.00 H new ATOM 0 HE1 MET A 3 26.399 20.059 5.677 1.00 0.00 H new ATOM 0 HE2 MET A 3 25.645 20.882 4.292 1.00 0.00 H new ATOM 0 HE3 MET A 3 25.128 21.275 5.949 1.00 0.00 H new ATOM 35 N SER A 4 20.388 16.393 4.190 1.00 0.00 N ATOM 36 CA SER A 4 19.225 15.527 4.226 1.00 0.00 C ATOM 37 C SER A 4 18.027 16.278 4.804 1.00 0.00 C ATOM 38 O SER A 4 16.874 15.880 4.622 1.00 0.00 O ATOM 39 CB SER A 4 19.533 14.291 5.065 1.00 0.00 C ATOM 40 OG SER A 4 20.749 13.686 4.639 1.00 0.00 O ATOM 0 H SER A 4 21.032 16.264 4.971 1.00 0.00 H new ATOM 0 HA SER A 4 18.979 15.214 3.211 1.00 0.00 H new ATOM 0 HB2 SER A 4 19.607 14.568 6.117 1.00 0.00 H new ATOM 0 HB3 SER A 4 18.715 13.575 4.981 1.00 0.00 H new ATOM 0 HG SER A 4 20.932 12.896 5.189 1.00 0.00 H new ATOM 46 N SER A 5 18.314 17.367 5.494 1.00 0.00 N ATOM 47 CA SER A 5 17.295 18.195 6.089 1.00 0.00 C ATOM 48 C SER A 5 16.611 19.059 5.033 1.00 0.00 C ATOM 49 O SER A 5 17.060 20.160 4.720 1.00 0.00 O ATOM 50 CB SER A 5 17.912 19.051 7.192 1.00 0.00 C ATOM 51 OG SER A 5 19.211 19.498 6.814 1.00 0.00 O ATOM 0 H SER A 5 19.265 17.698 5.655 1.00 0.00 H new ATOM 0 HA SER A 5 16.529 17.557 6.530 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.271 19.909 7.395 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.974 18.474 8.115 1.00 0.00 H new ATOM 0 HG SER A 5 19.590 20.046 7.532 1.00 0.00 H new ATOM 57 N VAL A 6 15.537 18.533 4.473 1.00 0.00 N ATOM 58 CA VAL A 6 14.785 19.228 3.445 1.00 0.00 C ATOM 59 C VAL A 6 13.907 20.334 4.055 1.00 0.00 C ATOM 60 O VAL A 6 13.522 21.281 3.380 1.00 0.00 O ATOM 61 CB VAL A 6 13.915 18.233 2.629 1.00 0.00 C ATOM 62 CG1 VAL A 6 12.819 17.621 3.490 1.00 0.00 C ATOM 63 CG2 VAL A 6 13.331 18.895 1.390 1.00 0.00 C ATOM 0 H VAL A 6 15.163 17.616 4.717 1.00 0.00 H new ATOM 0 HA VAL A 6 15.500 19.696 2.768 1.00 0.00 H new ATOM 0 HB VAL A 6 14.567 17.425 2.297 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.228 16.929 2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 6 13.269 17.083 4.324 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.174 18.411 3.873 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.728 18.172 0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.706 19.737 1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.140 19.251 0.752 1.00 0.00 H new ATOM 73 N PHE A 7 13.620 20.217 5.337 1.00 0.00 N ATOM 74 CA PHE A 7 12.800 21.203 6.011 1.00 0.00 C ATOM 75 C PHE A 7 13.655 22.186 6.781 1.00 0.00 C ATOM 76 O PHE A 7 14.755 21.853 7.226 1.00 0.00 O ATOM 77 CB PHE A 7 11.775 20.539 6.942 1.00 0.00 C ATOM 78 CG PHE A 7 12.364 19.599 7.967 1.00 0.00 C ATOM 79 CD1 PHE A 7 12.656 20.042 9.249 1.00 0.00 C ATOM 80 CD2 PHE A 7 12.611 18.272 7.650 1.00 0.00 C ATOM 81 CE1 PHE A 7 13.182 19.180 10.191 1.00 0.00 C ATOM 82 CE2 PHE A 7 13.139 17.406 8.588 1.00 0.00 C ATOM 83 CZ PHE A 7 13.424 17.861 9.859 1.00 0.00 C ATOM 0 H PHE A 7 13.941 19.452 5.930 1.00 0.00 H new ATOM 0 HA PHE A 7 12.253 21.750 5.244 1.00 0.00 H new ATOM 0 HB2 PHE A 7 11.219 21.319 7.462 1.00 0.00 H new ATOM 0 HB3 PHE A 7 11.057 19.988 6.334 1.00 0.00 H new ATOM 0 HD1 PHE A 7 12.470 21.073 9.513 1.00 0.00 H new ATOM 0 HD2 PHE A 7 12.388 17.911 6.657 1.00 0.00 H new ATOM 0 HE1 PHE A 7 13.404 19.537 11.186 1.00 0.00 H new ATOM 0 HE2 PHE A 7 13.328 16.375 8.327 1.00 0.00 H new ATOM 0 HZ PHE A 7 13.836 17.186 10.594 1.00 0.00 H new ATOM 93 N GLY A 8 13.146 23.390 6.931 1.00 0.00 N ATOM 94 CA GLY A 8 13.848 24.410 7.664 1.00 0.00 C ATOM 95 C GLY A 8 13.568 24.327 9.147 1.00 0.00 C ATOM 96 O GLY A 8 13.749 23.278 9.765 1.00 0.00 O ATOM 0 H GLY A 8 12.245 23.683 6.552 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.919 24.311 7.490 1.00 0.00 H new ATOM 0 HA3 GLY A 8 13.554 25.392 7.293 1.00 0.00 H new ATOM 100 N ALA A 9 13.101 25.418 9.714 1.00 0.00 N ATOM 101 CA ALA A 9 12.794 25.465 11.133 1.00 0.00 C ATOM 102 C ALA A 9 11.421 26.052 11.346 1.00 0.00 C ATOM 103 O ALA A 9 11.010 26.321 12.471 1.00 0.00 O ATOM 104 CB ALA A 9 13.844 26.274 11.878 1.00 0.00 C ATOM 0 H ALA A 9 12.924 26.289 9.214 1.00 0.00 H new ATOM 0 HA ALA A 9 12.804 24.449 11.528 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.598 26.299 12.940 1.00 0.00 H new ATOM 0 HB2 ALA A 9 14.822 25.813 11.743 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.865 27.291 11.487 1.00 0.00 H new ATOM 110 N GLY A 10 10.710 26.232 10.256 1.00 0.00 N ATOM 111 CA GLY A 10 9.396 26.800 10.318 1.00 0.00 C ATOM 112 C GLY A 10 8.571 26.414 9.125 1.00 0.00 C ATOM 113 O GLY A 10 7.963 27.269 8.481 1.00 0.00 O ATOM 0 H GLY A 10 11.027 25.990 9.317 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.898 26.468 11.229 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.471 27.886 10.374 1.00 0.00 H new ATOM 117 N CYS A 11 8.568 25.132 8.802 1.00 0.00 N ATOM 118 CA CYS A 11 7.803 24.655 7.686 1.00 0.00 C ATOM 119 C CYS A 11 6.372 24.383 8.103 1.00 0.00 C ATOM 120 O CYS A 11 6.120 23.942 9.227 1.00 0.00 O ATOM 121 CB CYS A 11 8.417 23.387 7.136 1.00 0.00 C ATOM 122 SG CYS A 11 10.137 23.563 6.661 1.00 0.00 S ATOM 0 H CYS A 11 9.089 24.412 9.302 1.00 0.00 H new ATOM 0 HA CYS A 11 7.809 25.423 6.913 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.335 22.600 7.886 1.00 0.00 H new ATOM 0 HB3 CYS A 11 7.842 23.062 6.269 1.00 0.00 H new ATOM 127 N THR A 12 5.445 24.640 7.213 1.00 0.00 N ATOM 128 CA THR A 12 4.053 24.379 7.490 1.00 0.00 C ATOM 129 C THR A 12 3.756 22.898 7.313 1.00 0.00 C ATOM 130 O THR A 12 4.570 22.155 6.752 1.00 0.00 O ATOM 131 CB THR A 12 3.148 25.176 6.538 1.00 0.00 C ATOM 132 OG1 THR A 12 3.444 24.822 5.178 1.00 0.00 O ATOM 133 CG2 THR A 12 3.342 26.665 6.730 1.00 0.00 C ATOM 0 H THR A 12 5.629 25.030 6.289 1.00 0.00 H new ATOM 0 HA THR A 12 3.853 24.683 8.518 1.00 0.00 H new ATOM 0 HB THR A 12 2.110 24.931 6.763 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.344 25.611 4.605 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.691 27.208 6.045 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.095 26.935 7.757 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.381 26.926 6.527 1.00 0.00 H new ATOM 141 N ASP A 13 2.597 22.461 7.775 1.00 0.00 N ATOM 142 CA ASP A 13 2.191 21.081 7.561 1.00 0.00 C ATOM 143 C ASP A 13 1.749 20.903 6.133 1.00 0.00 C ATOM 144 O ASP A 13 1.576 19.789 5.648 1.00 0.00 O ATOM 145 CB ASP A 13 1.092 20.650 8.528 1.00 0.00 C ATOM 146 CG ASP A 13 1.657 19.983 9.761 1.00 0.00 C ATOM 147 OD1 ASP A 13 2.007 20.698 10.724 1.00 0.00 O ATOM 148 OD2 ASP A 13 1.773 18.742 9.767 1.00 0.00 O ATOM 0 H ASP A 13 1.929 23.031 8.293 1.00 0.00 H new ATOM 0 HA ASP A 13 3.050 20.440 7.757 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.505 21.520 8.822 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.412 19.964 8.023 1.00 0.00 H new ATOM 153 N VAL A 14 1.579 22.024 5.457 1.00 0.00 N ATOM 154 CA VAL A 14 1.242 22.040 4.055 1.00 0.00 C ATOM 155 C VAL A 14 2.483 21.654 3.248 1.00 0.00 C ATOM 156 O VAL A 14 2.390 21.103 2.147 1.00 0.00 O ATOM 157 CB VAL A 14 0.744 23.442 3.625 1.00 0.00 C ATOM 158 CG1 VAL A 14 0.193 23.415 2.216 1.00 0.00 C ATOM 159 CG2 VAL A 14 -0.308 23.959 4.598 1.00 0.00 C ATOM 0 H VAL A 14 1.672 22.951 5.872 1.00 0.00 H new ATOM 0 HA VAL A 14 0.439 21.327 3.869 1.00 0.00 H new ATOM 0 HB VAL A 14 1.597 24.121 3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.149 24.412 1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.974 23.096 1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.643 22.717 2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.645 24.945 4.279 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.155 23.274 4.616 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.123 24.029 5.597 1.00 0.00 H new ATOM 169 N CYS A 15 3.648 21.924 3.836 1.00 0.00 N ATOM 170 CA CYS A 15 4.927 21.570 3.245 1.00 0.00 C ATOM 171 C CYS A 15 5.199 20.088 3.485 1.00 0.00 C ATOM 172 O CYS A 15 5.845 19.419 2.683 1.00 0.00 O ATOM 173 CB CYS A 15 6.043 22.436 3.860 1.00 0.00 C ATOM 174 SG CYS A 15 7.729 21.976 3.387 1.00 0.00 S ATOM 0 H CYS A 15 3.726 22.395 4.737 1.00 0.00 H new ATOM 0 HA CYS A 15 4.902 21.755 2.171 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.874 23.474 3.574 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.962 22.387 4.946 1.00 0.00 H new ATOM 179 N LYS A 16 4.666 19.570 4.600 1.00 0.00 N ATOM 180 CA LYS A 16 4.819 18.164 4.935 1.00 0.00 C ATOM 181 C LYS A 16 3.899 17.297 4.052 1.00 0.00 C ATOM 182 O LYS A 16 3.925 16.067 4.133 1.00 0.00 O ATOM 183 CB LYS A 16 4.511 17.910 6.428 1.00 0.00 C ATOM 184 CG LYS A 16 5.285 18.789 7.433 1.00 0.00 C ATOM 185 CD LYS A 16 6.805 18.693 7.266 1.00 0.00 C ATOM 186 CE LYS A 16 7.339 19.947 6.569 1.00 0.00 C ATOM 187 NZ LYS A 16 8.754 19.814 6.167 1.00 0.00 N ATOM 0 H LYS A 16 4.128 20.109 5.278 1.00 0.00 H new ATOM 0 HA LYS A 16 5.856 17.887 4.747 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.444 18.060 6.590 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.723 16.864 6.650 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.977 19.827 7.312 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.017 18.493 8.447 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.279 18.580 8.241 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.059 17.808 6.683 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.733 20.154 5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.234 20.802 7.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.196 20.755 6.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.256 19.220 6.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.808 19.374 5.226 1.00 0.00 H new ATOM 201 N GLN A 17 3.084 17.955 3.208 1.00 0.00 N ATOM 202 CA GLN A 17 2.183 17.249 2.291 1.00 0.00 C ATOM 203 C GLN A 17 2.967 16.482 1.231 1.00 0.00 C ATOM 204 O GLN A 17 4.194 16.592 1.129 1.00 0.00 O ATOM 205 CB GLN A 17 1.199 18.217 1.596 1.00 0.00 C ATOM 206 CG GLN A 17 -0.018 18.600 2.428 1.00 0.00 C ATOM 207 CD GLN A 17 -1.019 19.480 1.664 1.00 0.00 C ATOM 208 OE1 GLN A 17 -1.137 19.405 0.441 1.00 0.00 O ATOM 209 NE2 GLN A 17 -1.745 20.303 2.396 1.00 0.00 N ATOM 0 H GLN A 17 3.034 18.972 3.145 1.00 0.00 H new ATOM 0 HA GLN A 17 1.611 16.545 2.895 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.736 19.126 1.325 1.00 0.00 H new ATOM 0 HB3 GLN A 17 0.857 17.760 0.667 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.522 17.693 2.762 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.313 19.129 3.322 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.616 20.335 3.407 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.435 20.908 1.951 1.00 0.00 H new ATOM 218 N THR A 18 2.255 15.725 0.436 1.00 0.00 N ATOM 219 CA THR A 18 2.856 14.929 -0.620 1.00 0.00 C ATOM 220 C THR A 18 1.832 14.685 -1.727 1.00 0.00 C ATOM 221 O THR A 18 0.928 13.863 -1.575 1.00 0.00 O ATOM 222 CB THR A 18 3.393 13.573 -0.093 1.00 0.00 C ATOM 223 OG1 THR A 18 4.326 13.799 0.977 1.00 0.00 O ATOM 224 CG2 THR A 18 4.092 12.805 -1.207 1.00 0.00 C ATOM 0 H THR A 18 1.241 15.638 0.497 1.00 0.00 H new ATOM 0 HA THR A 18 3.705 15.488 -1.014 1.00 0.00 H new ATOM 0 HB THR A 18 2.548 12.988 0.270 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.660 12.939 1.307 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.462 11.856 -0.818 1.00 0.00 H new ATOM 0 HG22 THR A 18 3.387 12.615 -2.016 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.928 13.393 -1.585 1.00 0.00 H new ATOM 232 N PRO A 19 1.945 15.408 -2.854 1.00 0.00 N ATOM 233 CA PRO A 19 3.020 16.386 -3.087 1.00 0.00 C ATOM 234 C PRO A 19 2.871 17.618 -2.207 1.00 0.00 C ATOM 235 O PRO A 19 1.836 17.806 -1.569 1.00 0.00 O ATOM 236 CB PRO A 19 2.843 16.760 -4.560 1.00 0.00 C ATOM 237 CG PRO A 19 1.402 16.515 -4.839 1.00 0.00 C ATOM 238 CD PRO A 19 1.001 15.349 -3.976 1.00 0.00 C ATOM 0 HA PRO A 19 4.004 15.980 -2.852 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.110 17.801 -4.739 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.480 16.152 -5.203 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.805 17.396 -4.605 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.242 16.292 -5.894 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.031 15.438 -3.637 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.079 14.405 -4.516 1.00 0.00 H new ATOM 246 N CYS A 20 3.897 18.446 -2.176 1.00 0.00 N ATOM 247 CA CYS A 20 3.891 19.637 -1.356 1.00 0.00 C ATOM 248 C CYS A 20 2.712 20.514 -1.737 1.00 0.00 C ATOM 249 O CYS A 20 2.538 20.875 -2.906 1.00 0.00 O ATOM 250 CB CYS A 20 5.199 20.383 -1.524 1.00 0.00 C ATOM 251 SG CYS A 20 5.457 21.710 -0.349 1.00 0.00 S ATOM 0 H CYS A 20 4.752 18.312 -2.716 1.00 0.00 H new ATOM 0 HA CYS A 20 3.789 19.359 -0.307 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.021 19.673 -1.436 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.240 20.795 -2.532 1.00 0.00 H new ATOM 256 N GLY A 21 1.905 20.848 -0.758 1.00 0.00 N ATOM 257 CA GLY A 21 0.693 21.568 -1.023 1.00 0.00 C ATOM 258 C GLY A 21 0.870 23.071 -1.055 1.00 0.00 C ATOM 259 O GLY A 21 -0.039 23.788 -1.450 1.00 0.00 O ATOM 0 H GLY A 21 2.069 20.631 0.225 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.288 21.239 -1.980 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.043 21.314 -0.261 1.00 0.00 H new ATOM 263 N CYS A 22 2.043 23.552 -0.663 1.00 0.00 N ATOM 264 CA CYS A 22 2.322 25.000 -0.631 1.00 0.00 C ATOM 265 C CYS A 22 2.142 25.654 -1.998 1.00 0.00 C ATOM 266 O CYS A 22 1.852 26.846 -2.094 1.00 0.00 O ATOM 267 CB CYS A 22 3.732 25.256 -0.134 1.00 0.00 C ATOM 268 SG CYS A 22 3.968 24.949 1.618 1.00 0.00 S ATOM 0 H CYS A 22 2.823 22.968 -0.361 1.00 0.00 H new ATOM 0 HA CYS A 22 1.600 25.446 0.053 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.422 24.627 -0.697 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.997 26.291 -0.348 1.00 0.00 H new ATOM 273 N ALA A 23 2.293 24.872 -3.046 1.00 0.00 N ATOM 274 CA ALA A 23 2.192 25.389 -4.398 1.00 0.00 C ATOM 275 C ALA A 23 0.741 25.650 -4.808 1.00 0.00 C ATOM 276 O ALA A 23 0.489 26.326 -5.801 1.00 0.00 O ATOM 277 CB ALA A 23 2.861 24.436 -5.374 1.00 0.00 C ATOM 0 H ALA A 23 2.487 23.872 -2.989 1.00 0.00 H new ATOM 0 HA ALA A 23 2.709 26.348 -4.423 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.779 24.834 -6.385 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.913 24.326 -5.112 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.371 23.463 -5.326 1.00 0.00 H new ATOM 283 N THR A 24 -0.205 25.119 -4.046 1.00 0.00 N ATOM 284 CA THR A 24 -1.611 25.308 -4.367 1.00 0.00 C ATOM 285 C THR A 24 -2.431 25.647 -3.112 1.00 0.00 C ATOM 286 O THR A 24 -3.660 25.719 -3.161 1.00 0.00 O ATOM 287 CB THR A 24 -2.198 24.049 -5.065 1.00 0.00 C ATOM 288 OG1 THR A 24 -3.538 24.302 -5.504 1.00 0.00 O ATOM 289 CG2 THR A 24 -2.189 22.848 -4.126 1.00 0.00 C ATOM 0 H THR A 24 -0.027 24.561 -3.211 1.00 0.00 H new ATOM 0 HA THR A 24 -1.676 26.150 -5.056 1.00 0.00 H new ATOM 0 HB THR A 24 -1.571 23.823 -5.927 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.957 24.962 -4.913 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.605 21.981 -4.640 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.165 22.632 -3.821 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.791 23.071 -3.245 1.00 0.00 H new ATOM 297 N SER A 25 -1.747 25.864 -2.002 1.00 0.00 N ATOM 298 CA SER A 25 -2.416 26.179 -0.755 1.00 0.00 C ATOM 299 C SER A 25 -1.666 27.283 -0.005 1.00 0.00 C ATOM 300 O SER A 25 -2.006 27.617 1.132 1.00 0.00 O ATOM 301 CB SER A 25 -2.529 24.919 0.109 1.00 0.00 C ATOM 302 OG SER A 25 -3.392 25.118 1.222 1.00 0.00 O ATOM 0 H SER A 25 -0.730 25.828 -1.940 1.00 0.00 H new ATOM 0 HA SER A 25 -3.419 26.543 -0.976 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.903 24.094 -0.498 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.539 24.631 0.463 1.00 0.00 H new ATOM 0 HG SER A 25 -3.303 26.039 1.545 1.00 0.00 H new ATOM 308 N GLY A 26 -0.645 27.836 -0.646 1.00 0.00 N ATOM 309 CA GLY A 26 0.103 28.927 -0.054 1.00 0.00 C ATOM 310 C GLY A 26 1.302 28.476 0.754 1.00 0.00 C ATOM 311 O GLY A 26 1.230 27.509 1.513 1.00 0.00 O ATOM 0 H GLY A 26 -0.321 27.547 -1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.440 29.596 -0.846 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.561 29.504 0.589 1.00 0.00 H new ATOM 315 N CYS A 27 2.404 29.183 0.587 1.00 0.00 N ATOM 316 CA CYS A 27 3.632 28.891 1.299 1.00 0.00 C ATOM 317 C CYS A 27 3.846 29.886 2.438 1.00 0.00 C ATOM 318 O CYS A 27 3.559 31.082 2.296 1.00 0.00 O ATOM 319 CB CYS A 27 4.814 28.948 0.336 1.00 0.00 C ATOM 320 SG CYS A 27 6.420 28.779 1.131 1.00 0.00 S ATOM 0 H CYS A 27 2.472 29.978 -0.048 1.00 0.00 H new ATOM 0 HA CYS A 27 3.556 27.890 1.723 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.703 28.157 -0.406 1.00 0.00 H new ATOM 0 HB3 CYS A 27 4.785 29.896 -0.202 1.00 0.00 H new ATOM 325 N ASN A 28 4.341 29.394 3.568 1.00 0.00 N ATOM 326 CA ASN A 28 4.610 30.248 4.730 1.00 0.00 C ATOM 327 C ASN A 28 5.930 29.873 5.369 1.00 0.00 C ATOM 328 O ASN A 28 6.265 30.349 6.455 1.00 0.00 O ATOM 329 CB ASN A 28 3.499 30.125 5.783 1.00 0.00 C ATOM 330 CG ASN A 28 2.142 30.544 5.275 1.00 0.00 C ATOM 331 OD1 ASN A 28 1.783 31.721 5.333 1.00 0.00 O ATOM 332 ND2 ASN A 28 1.370 29.585 4.798 1.00 0.00 N ATOM 0 H ASN A 28 4.566 28.409 3.709 1.00 0.00 H new ATOM 0 HA ASN A 28 4.649 31.277 4.373 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.447 29.092 6.126 1.00 0.00 H new ATOM 0 HB3 ASN A 28 3.759 30.735 6.648 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.434 29.805 4.458 1.00 0.00 H new ATOM 0 HD22 ASN A 28 1.710 28.624 4.769 1.00 0.00 H new ATOM 339 N CYS A 29 6.684 29.033 4.695 1.00 0.00 N ATOM 340 CA CYS A 29 7.938 28.557 5.227 1.00 0.00 C ATOM 341 C CYS A 29 8.995 29.637 5.190 1.00 0.00 C ATOM 342 O CYS A 29 8.868 30.629 4.467 1.00 0.00 O ATOM 343 CB CYS A 29 8.400 27.339 4.453 1.00 0.00 C ATOM 344 SG CYS A 29 7.209 25.997 4.476 1.00 0.00 S ATOM 0 H CYS A 29 6.448 28.665 3.773 1.00 0.00 H new ATOM 0 HA CYS A 29 7.782 28.280 6.270 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.596 27.625 3.420 1.00 0.00 H new ATOM 0 HB3 CYS A 29 9.343 26.987 4.870 1.00 0.00 H new ATOM 349 N THR A 30 10.024 29.453 5.979 1.00 0.00 N ATOM 350 CA THR A 30 11.108 30.395 6.041 1.00 0.00 C ATOM 351 C THR A 30 12.085 30.158 4.890 1.00 0.00 C ATOM 352 O THR A 30 11.941 29.191 4.123 1.00 0.00 O ATOM 353 CB THR A 30 11.853 30.271 7.385 1.00 0.00 C ATOM 354 OG1 THR A 30 12.328 28.926 7.557 1.00 0.00 O ATOM 355 CG2 THR A 30 10.935 30.628 8.543 1.00 0.00 C ATOM 0 H THR A 30 10.132 28.647 6.594 1.00 0.00 H new ATOM 0 HA THR A 30 10.693 31.399 5.956 1.00 0.00 H new ATOM 0 HB THR A 30 12.696 30.962 7.374 1.00 0.00 H new ATOM 0 HG1 THR A 30 12.802 28.853 8.412 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.480 30.534 9.482 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.586 31.654 8.427 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.080 29.952 8.551 1.00 0.00 H new ATOM 363 N ASP A 31 13.083 31.019 4.770 1.00 0.00 N ATOM 364 CA ASP A 31 14.085 30.869 3.727 1.00 0.00 C ATOM 365 C ASP A 31 15.060 29.764 4.106 1.00 0.00 C ATOM 366 O ASP A 31 15.939 29.392 3.328 1.00 0.00 O ATOM 367 CB ASP A 31 14.828 32.186 3.483 1.00 0.00 C ATOM 368 CG ASP A 31 15.878 32.486 4.530 1.00 0.00 C ATOM 369 OD1 ASP A 31 15.518 32.668 5.711 1.00 0.00 O ATOM 370 OD2 ASP A 31 17.067 32.563 4.171 1.00 0.00 O ATOM 0 H ASP A 31 13.221 31.826 5.379 1.00 0.00 H new ATOM 0 HA ASP A 31 13.583 30.597 2.799 1.00 0.00 H new ATOM 0 HB2 ASP A 31 15.303 32.150 2.503 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.106 33.003 3.458 1.00 0.00 H new ATOM 375 N ASP A 32 14.882 29.235 5.313 1.00 0.00 N ATOM 376 CA ASP A 32 15.690 28.137 5.804 1.00 0.00 C ATOM 377 C ASP A 32 15.125 26.818 5.285 1.00 0.00 C ATOM 378 O ASP A 32 15.769 25.774 5.365 1.00 0.00 O ATOM 379 CB ASP A 32 15.722 28.147 7.336 1.00 0.00 C ATOM 380 CG ASP A 32 16.621 27.075 7.916 1.00 0.00 C ATOM 381 OD1 ASP A 32 16.125 26.237 8.689 1.00 0.00 O ATOM 382 OD2 ASP A 32 17.831 27.065 7.595 1.00 0.00 O ATOM 0 H ASP A 32 14.174 29.558 5.972 1.00 0.00 H new ATOM 0 HA ASP A 32 16.712 28.250 5.443 1.00 0.00 H new ATOM 0 HB2 ASP A 32 16.062 29.124 7.680 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.710 28.009 7.716 1.00 0.00 H new ATOM 387 N CYS A 33 13.901 26.882 4.754 1.00 0.00 N ATOM 388 CA CYS A 33 13.266 25.724 4.147 1.00 0.00 C ATOM 389 C CYS A 33 14.038 25.317 2.905 1.00 0.00 C ATOM 390 O CYS A 33 14.197 26.114 1.976 1.00 0.00 O ATOM 391 CB CYS A 33 11.814 26.034 3.786 1.00 0.00 C ATOM 392 SG CYS A 33 11.044 24.808 2.708 1.00 0.00 S ATOM 0 H CYS A 33 13.334 27.730 4.736 1.00 0.00 H new ATOM 0 HA CYS A 33 13.271 24.902 4.863 1.00 0.00 H new ATOM 0 HB2 CYS A 33 11.231 26.112 4.704 1.00 0.00 H new ATOM 0 HB3 CYS A 33 11.772 27.008 3.298 1.00 0.00 H new ATOM 397 N LYS A 34 14.496 24.085 2.889 1.00 0.00 N ATOM 398 CA LYS A 34 15.338 23.588 1.818 1.00 0.00 C ATOM 399 C LYS A 34 14.541 22.758 0.829 1.00 0.00 C ATOM 400 O LYS A 34 15.114 22.031 0.012 1.00 0.00 O ATOM 401 CB LYS A 34 16.448 22.731 2.418 1.00 0.00 C ATOM 402 CG LYS A 34 17.218 23.421 3.531 1.00 0.00 C ATOM 403 CD LYS A 34 17.913 24.675 3.038 1.00 0.00 C ATOM 404 CE LYS A 34 18.998 24.336 2.021 1.00 0.00 C ATOM 405 NZ LYS A 34 19.774 25.529 1.601 1.00 0.00 N ATOM 0 H LYS A 34 14.297 23.398 3.616 1.00 0.00 H new ATOM 0 HA LYS A 34 15.759 24.440 1.284 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.014 21.809 2.806 1.00 0.00 H new ATOM 0 HB3 LYS A 34 17.144 22.448 1.628 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.535 23.678 4.341 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.957 22.733 3.943 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.183 25.346 2.586 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.354 25.206 3.882 1.00 0.00 H new ATOM 0 HE2 LYS A 34 19.676 23.598 2.450 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.540 23.877 1.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 20.498 25.246 0.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 19.134 26.224 1.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 20.235 25.954 2.431 1.00 0.00 H new ATOM 419 N CYS A 35 13.231 22.874 0.883 1.00 0.00 N ATOM 420 CA CYS A 35 12.390 22.082 0.038 1.00 0.00 C ATOM 421 C CYS A 35 12.455 22.560 -1.403 1.00 0.00 C ATOM 422 O CYS A 35 12.675 23.741 -1.675 1.00 0.00 O ATOM 423 CB CYS A 35 10.962 22.075 0.547 1.00 0.00 C ATOM 424 SG CYS A 35 9.955 20.799 -0.212 1.00 0.00 S ATOM 0 H CYS A 35 12.734 23.511 1.506 1.00 0.00 H new ATOM 0 HA CYS A 35 12.760 21.057 0.064 1.00 0.00 H new ATOM 0 HB2 CYS A 35 10.968 21.931 1.627 1.00 0.00 H new ATOM 0 HB3 CYS A 35 10.509 23.048 0.357 1.00 0.00 H new ATOM 429 N GLN A 36 12.266 21.637 -2.319 1.00 0.00 N ATOM 430 CA GLN A 36 12.374 21.922 -3.741 1.00 0.00 C ATOM 431 C GLN A 36 11.013 22.198 -4.341 1.00 0.00 C ATOM 432 O GLN A 36 10.906 22.637 -5.480 1.00 0.00 O ATOM 433 CB GLN A 36 12.966 20.715 -4.459 1.00 0.00 C ATOM 434 CG GLN A 36 14.004 19.962 -3.652 1.00 0.00 C ATOM 435 CD GLN A 36 14.341 18.627 -4.269 1.00 0.00 C ATOM 436 OE1 GLN A 36 13.694 17.621 -3.984 1.00 0.00 O ATOM 437 NE2 GLN A 36 15.352 18.612 -5.111 1.00 0.00 N ATOM 0 H GLN A 36 12.033 20.667 -2.105 1.00 0.00 H new ATOM 0 HA GLN A 36 13.011 22.798 -3.861 1.00 0.00 H new ATOM 0 HB2 GLN A 36 12.159 20.031 -4.722 1.00 0.00 H new ATOM 0 HB3 GLN A 36 13.419 21.048 -5.393 1.00 0.00 H new ATOM 0 HG2 GLN A 36 14.909 20.564 -3.574 1.00 0.00 H new ATOM 0 HG3 GLN A 36 13.634 19.810 -2.638 1.00 0.00 H new ATOM 0 HE21 GLN A 36 15.858 19.474 -5.315 1.00 0.00 H new ATOM 0 HE22 GLN A 36 15.629 17.739 -5.559 1.00 0.00 H new ATOM 446 N SER A 37 9.976 21.955 -3.572 1.00 0.00 N ATOM 447 CA SER A 37 8.636 22.034 -4.104 1.00 0.00 C ATOM 448 C SER A 37 8.018 23.421 -3.935 1.00 0.00 C ATOM 449 O SER A 37 7.447 23.955 -4.878 1.00 0.00 O ATOM 450 CB SER A 37 7.756 20.957 -3.482 1.00 0.00 C ATOM 451 OG SER A 37 6.588 20.736 -4.260 1.00 0.00 O ATOM 0 H SER A 37 10.034 21.703 -2.585 1.00 0.00 H new ATOM 0 HA SER A 37 8.701 21.857 -5.178 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.320 20.028 -3.395 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.473 21.253 -2.472 1.00 0.00 H new ATOM 0 HG SER A 37 6.302 19.803 -4.164 1.00 0.00 H new ATOM 457 N CYS A 38 8.122 24.007 -2.751 1.00 0.00 N ATOM 458 CA CYS A 38 7.555 25.333 -2.544 1.00 0.00 C ATOM 459 C CYS A 38 8.519 26.422 -3.007 1.00 0.00 C ATOM 460 O CYS A 38 8.157 27.590 -3.107 1.00 0.00 O ATOM 461 CB CYS A 38 7.116 25.533 -1.091 1.00 0.00 C ATOM 462 SG CYS A 38 8.304 24.985 0.144 1.00 0.00 S ATOM 0 H CYS A 38 8.581 23.599 -1.937 1.00 0.00 H new ATOM 0 HA CYS A 38 6.659 25.414 -3.159 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.911 26.592 -0.932 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.179 24.999 -0.934 1.00 0.00 H new ATOM 467 N LYS A 39 9.745 26.016 -3.304 1.00 0.00 N ATOM 468 CA LYS A 39 10.754 26.918 -3.844 1.00 0.00 C ATOM 469 C LYS A 39 11.034 26.553 -5.287 1.00 0.00 C ATOM 470 O LYS A 39 12.130 26.788 -5.794 1.00 0.00 O ATOM 471 CB LYS A 39 12.065 26.850 -3.036 1.00 0.00 C ATOM 472 CG LYS A 39 12.013 27.536 -1.680 1.00 0.00 C ATOM 473 CD LYS A 39 11.325 26.674 -0.650 1.00 0.00 C ATOM 474 CE LYS A 39 10.976 27.466 0.599 1.00 0.00 C ATOM 475 NZ LYS A 39 12.170 28.099 1.214 1.00 0.00 N ATOM 0 H LYS A 39 10.068 25.057 -3.178 1.00 0.00 H new ATOM 0 HA LYS A 39 10.368 27.935 -3.779 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.331 25.803 -2.888 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.863 27.301 -3.626 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.026 27.764 -1.347 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.486 28.486 -1.772 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.417 26.249 -1.078 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.972 25.839 -0.383 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.248 28.237 0.347 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.502 26.806 1.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.895 28.571 2.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.883 27.370 1.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.569 28.800 0.557 1.00 0.00 H new ATOM 489 N TYR A 40 10.031 25.980 -5.948 1.00 0.00 N ATOM 490 CA TYR A 40 10.176 25.541 -7.325 1.00 0.00 C ATOM 491 C TYR A 40 10.592 26.694 -8.239 1.00 0.00 C ATOM 492 O TYR A 40 9.895 27.705 -8.365 1.00 0.00 O ATOM 493 CB TYR A 40 8.895 24.850 -7.837 1.00 0.00 C ATOM 494 CG TYR A 40 7.688 25.756 -7.998 1.00 0.00 C ATOM 495 CD1 TYR A 40 7.225 26.096 -9.261 1.00 0.00 C ATOM 496 CD2 TYR A 40 7.015 26.269 -6.894 1.00 0.00 C ATOM 497 CE1 TYR A 40 6.131 26.918 -9.422 1.00 0.00 C ATOM 498 CE2 TYR A 40 5.919 27.092 -7.048 1.00 0.00 C ATOM 499 CZ TYR A 40 5.482 27.413 -8.314 1.00 0.00 C ATOM 500 OH TYR A 40 4.391 28.231 -8.474 1.00 0.00 O ATOM 0 H TYR A 40 9.109 25.811 -5.547 1.00 0.00 H new ATOM 0 HA TYR A 40 10.976 24.801 -7.347 1.00 0.00 H new ATOM 0 HB2 TYR A 40 9.112 24.387 -8.800 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.636 24.046 -7.148 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.731 25.710 -10.133 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.356 26.019 -5.900 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.785 27.173 -10.413 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.407 27.482 -6.181 1.00 0.00 H new ATOM 0 HH TYR A 40 4.047 28.494 -7.595 1.00 0.00 H new ATOM 510 N GLY A 41 11.741 26.538 -8.841 1.00 0.00 N ATOM 511 CA GLY A 41 12.279 27.541 -9.725 1.00 0.00 C ATOM 512 C GLY A 41 13.594 27.088 -10.278 1.00 0.00 C ATOM 513 O GLY A 41 13.791 27.049 -11.488 1.00 0.00 O ATOM 0 H GLY A 41 12.331 25.713 -8.733 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.580 27.732 -10.539 1.00 0.00 H new ATOM 0 HA3 GLY A 41 12.406 28.480 -9.187 1.00 0.00 H new ATOM 517 N ALA A 42 14.479 26.690 -9.385 1.00 0.00 N ATOM 518 CA ALA A 42 15.780 26.168 -9.759 1.00 0.00 C ATOM 519 C ALA A 42 15.667 24.675 -10.035 1.00 0.00 C ATOM 520 O ALA A 42 16.647 23.930 -9.960 1.00 0.00 O ATOM 521 CB ALA A 42 16.786 26.431 -8.647 1.00 0.00 C ATOM 0 H ALA A 42 14.317 26.719 -8.378 1.00 0.00 H new ATOM 0 HA ALA A 42 16.127 26.670 -10.662 1.00 0.00 H new ATOM 0 HB1 ALA A 42 17.760 26.036 -8.936 1.00 0.00 H new ATOM 0 HB2 ALA A 42 16.866 27.504 -8.475 1.00 0.00 H new ATOM 0 HB3 ALA A 42 16.453 25.941 -7.732 1.00 0.00 H new ATOM 527 N GLY A 43 14.465 24.253 -10.381 1.00 0.00 N ATOM 528 CA GLY A 43 14.211 22.866 -10.631 1.00 0.00 C ATOM 529 C GLY A 43 13.248 22.625 -11.767 1.00 0.00 C ATOM 530 O GLY A 43 13.361 21.631 -12.473 1.00 0.00 O ATOM 0 H GLY A 43 13.654 24.861 -10.493 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.154 22.366 -10.853 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.813 22.409 -9.725 1.00 0.00 H new ATOM 534 N CYS A 44 12.357 23.559 -11.985 1.00 0.00 N ATOM 535 CA CYS A 44 11.280 23.386 -12.960 1.00 0.00 C ATOM 536 C CYS A 44 11.315 24.409 -14.074 1.00 0.00 C ATOM 537 O CYS A 44 12.231 25.230 -14.173 1.00 0.00 O ATOM 538 CB CYS A 44 9.917 23.457 -12.272 1.00 0.00 C ATOM 539 SG CYS A 44 9.403 21.938 -11.477 1.00 0.00 S ATOM 0 H CYS A 44 12.346 24.458 -11.503 1.00 0.00 H new ATOM 0 HA CYS A 44 11.435 22.403 -13.405 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.942 24.251 -11.526 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.166 23.737 -13.011 1.00 0.00 H new ATOM 544 N THR A 45 10.290 24.339 -14.905 1.00 0.00 N ATOM 545 CA THR A 45 10.098 25.224 -16.011 1.00 0.00 C ATOM 546 C THR A 45 8.591 25.427 -16.199 1.00 0.00 C ATOM 547 O THR A 45 7.788 24.871 -15.437 1.00 0.00 O ATOM 548 CB THR A 45 10.734 24.643 -17.308 1.00 0.00 C ATOM 549 OG1 THR A 45 10.549 25.540 -18.411 1.00 0.00 O ATOM 550 CG2 THR A 45 10.137 23.281 -17.648 1.00 0.00 C ATOM 0 H THR A 45 9.553 23.639 -14.815 1.00 0.00 H new ATOM 0 HA THR A 45 10.587 26.177 -15.809 1.00 0.00 H new ATOM 0 HB THR A 45 11.802 24.521 -17.125 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.041 25.089 -19.118 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.599 22.898 -18.558 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.322 22.588 -16.828 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.063 23.383 -17.802 1.00 0.00 H new ATOM 558 N ASP A 46 8.206 26.187 -17.195 1.00 0.00 N ATOM 559 CA ASP A 46 6.788 26.473 -17.440 1.00 0.00 C ATOM 560 C ASP A 46 6.130 25.364 -18.258 1.00 0.00 C ATOM 561 O ASP A 46 4.929 25.387 -18.501 1.00 0.00 O ATOM 562 CB ASP A 46 6.610 27.831 -18.134 1.00 0.00 C ATOM 563 CG ASP A 46 7.344 27.924 -19.457 1.00 0.00 C ATOM 564 OD1 ASP A 46 8.569 28.186 -19.441 1.00 0.00 O ATOM 565 OD2 ASP A 46 6.706 27.749 -20.515 1.00 0.00 O ATOM 0 H ASP A 46 8.846 26.626 -17.858 1.00 0.00 H new ATOM 0 HA ASP A 46 6.292 26.516 -16.470 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.548 28.010 -18.301 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.966 28.620 -17.472 1.00 0.00 H new ATOM 570 N THR A 47 6.919 24.393 -18.658 1.00 0.00 N ATOM 571 CA THR A 47 6.426 23.284 -19.447 1.00 0.00 C ATOM 572 C THR A 47 6.001 22.115 -18.542 1.00 0.00 C ATOM 573 O THR A 47 5.129 21.323 -18.898 1.00 0.00 O ATOM 574 CB THR A 47 7.516 22.796 -20.421 1.00 0.00 C ATOM 575 OG1 THR A 47 8.245 23.922 -20.931 1.00 0.00 O ATOM 576 CG2 THR A 47 6.898 22.048 -21.585 1.00 0.00 C ATOM 0 H THR A 47 7.916 24.348 -18.448 1.00 0.00 H new ATOM 0 HA THR A 47 5.560 23.633 -20.010 1.00 0.00 H new ATOM 0 HB THR A 47 8.185 22.127 -19.880 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.939 23.610 -21.549 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.685 21.712 -22.261 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.347 21.185 -21.212 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.217 22.708 -22.121 1.00 0.00 H new ATOM 584 N CYS A 48 6.600 22.039 -17.364 1.00 0.00 N ATOM 585 CA CYS A 48 6.333 20.949 -16.428 1.00 0.00 C ATOM 586 C CYS A 48 5.133 21.246 -15.533 1.00 0.00 C ATOM 587 O CYS A 48 4.448 20.337 -15.068 1.00 0.00 O ATOM 588 CB CYS A 48 7.565 20.684 -15.571 1.00 0.00 C ATOM 589 SG CYS A 48 7.277 19.544 -14.209 1.00 0.00 S ATOM 0 H CYS A 48 7.279 22.722 -17.028 1.00 0.00 H new ATOM 0 HA CYS A 48 6.096 20.062 -17.016 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.357 20.284 -16.205 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.926 21.631 -15.169 1.00 0.00 H new ATOM 594 N LYS A 49 4.858 22.523 -15.320 1.00 0.00 N ATOM 595 CA LYS A 49 3.770 22.940 -14.434 1.00 0.00 C ATOM 596 C LYS A 49 2.394 22.674 -15.051 1.00 0.00 C ATOM 597 O LYS A 49 1.370 23.083 -14.505 1.00 0.00 O ATOM 598 CB LYS A 49 3.902 24.415 -14.117 1.00 0.00 C ATOM 599 CG LYS A 49 3.724 25.305 -15.329 1.00 0.00 C ATOM 600 CD LYS A 49 3.930 26.755 -14.983 1.00 0.00 C ATOM 601 CE LYS A 49 2.956 27.224 -13.910 1.00 0.00 C ATOM 602 NZ LYS A 49 3.076 28.676 -13.655 1.00 0.00 N ATOM 0 H LYS A 49 5.371 23.294 -15.747 1.00 0.00 H new ATOM 0 HA LYS A 49 3.848 22.351 -13.520 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.162 24.686 -13.364 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.883 24.599 -13.680 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.431 25.011 -16.105 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.724 25.166 -15.740 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.952 26.904 -14.636 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.805 27.364 -15.879 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.937 26.992 -14.218 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.142 26.676 -12.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.397 28.956 -12.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.042 28.894 -13.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.874 29.200 -14.530 1.00 0.00 H new ATOM 616 N GLN A 50 2.381 22.008 -16.186 1.00 0.00 N ATOM 617 CA GLN A 50 1.152 21.675 -16.860 1.00 0.00 C ATOM 618 C GLN A 50 0.524 20.437 -16.223 1.00 0.00 C ATOM 619 O GLN A 50 0.987 19.964 -15.187 1.00 0.00 O ATOM 620 CB GLN A 50 1.425 21.434 -18.333 1.00 0.00 C ATOM 621 CG GLN A 50 2.207 22.559 -18.977 1.00 0.00 C ATOM 622 CD GLN A 50 1.685 22.914 -20.336 1.00 0.00 C ATOM 623 OE1 GLN A 50 0.492 22.771 -20.612 1.00 0.00 O ATOM 624 NE2 GLN A 50 2.551 23.385 -21.193 1.00 0.00 N ATOM 0 H GLN A 50 3.222 21.684 -16.664 1.00 0.00 H new ATOM 0 HA GLN A 50 0.453 22.505 -16.763 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.978 20.502 -18.447 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.478 21.309 -18.858 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.168 23.439 -18.335 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.255 22.270 -19.058 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.530 23.488 -20.925 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.248 23.650 -22.130 1.00 0.00 H new ATOM 633 N THR A 51 -0.522 19.925 -16.830 1.00 0.00 N ATOM 634 CA THR A 51 -1.193 18.742 -16.328 1.00 0.00 C ATOM 635 C THR A 51 -1.598 17.814 -17.482 1.00 0.00 C ATOM 636 O THR A 51 -2.367 18.203 -18.358 1.00 0.00 O ATOM 637 CB THR A 51 -2.437 19.111 -15.487 1.00 0.00 C ATOM 638 OG1 THR A 51 -2.043 19.947 -14.383 1.00 0.00 O ATOM 639 CG2 THR A 51 -3.119 17.859 -14.950 1.00 0.00 C ATOM 0 H THR A 51 -0.932 20.312 -17.680 1.00 0.00 H new ATOM 0 HA THR A 51 -0.488 18.218 -15.683 1.00 0.00 H new ATOM 0 HB THR A 51 -3.139 19.645 -16.127 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.833 20.181 -13.852 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.991 18.144 -14.362 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.433 17.230 -15.783 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.422 17.306 -14.321 1.00 0.00 H new ATOM 647 N PRO A 52 -1.067 16.571 -17.502 1.00 0.00 N ATOM 648 CA PRO A 52 -0.122 16.085 -16.484 1.00 0.00 C ATOM 649 C PRO A 52 1.216 16.810 -16.564 1.00 0.00 C ATOM 650 O PRO A 52 1.768 17.232 -15.553 1.00 0.00 O ATOM 651 CB PRO A 52 0.060 14.597 -16.831 1.00 0.00 C ATOM 652 CG PRO A 52 -1.050 14.273 -17.777 1.00 0.00 C ATOM 653 CD PRO A 52 -1.359 15.541 -18.509 1.00 0.00 C ATOM 0 HA PRO A 52 -0.491 16.253 -15.472 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.032 14.416 -17.289 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.009 13.976 -15.937 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.753 13.486 -18.470 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.926 13.911 -17.239 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.740 15.657 -19.399 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.398 15.577 -18.837 1.00 0.00 H new ATOM 661 N CYS A 53 1.717 16.949 -17.771 1.00 0.00 N ATOM 662 CA CYS A 53 2.952 17.649 -18.016 1.00 0.00 C ATOM 663 C CYS A 53 3.082 17.938 -19.495 1.00 0.00 C ATOM 664 O CYS A 53 2.475 17.248 -20.321 1.00 0.00 O ATOM 665 CB CYS A 53 4.135 16.817 -17.545 1.00 0.00 C ATOM 666 SG CYS A 53 5.715 17.691 -17.600 1.00 0.00 S ATOM 0 H CYS A 53 1.275 16.577 -18.612 1.00 0.00 H new ATOM 0 HA CYS A 53 2.945 18.587 -17.461 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.950 16.486 -16.523 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.205 15.921 -18.162 1.00 0.00 H new ATOM 671 N GLY A 54 3.842 18.958 -19.834 1.00 0.00 N ATOM 672 CA GLY A 54 4.036 19.283 -21.219 1.00 0.00 C ATOM 673 C GLY A 54 5.454 19.050 -21.678 1.00 0.00 C ATOM 674 O GLY A 54 5.747 19.164 -22.867 1.00 0.00 O ATOM 0 H GLY A 54 4.327 19.566 -19.174 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.358 18.684 -21.827 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.772 20.328 -21.383 1.00 0.00 H new ATOM 678 N CYS A 55 6.343 18.720 -20.745 1.00 0.00 N ATOM 679 CA CYS A 55 7.731 18.484 -21.078 1.00 0.00 C ATOM 680 C CYS A 55 7.895 17.229 -21.921 1.00 0.00 C ATOM 681 O CYS A 55 8.050 17.309 -23.136 1.00 0.00 O ATOM 682 CB CYS A 55 8.574 18.373 -19.814 1.00 0.00 C ATOM 683 SG CYS A 55 8.793 19.913 -18.910 1.00 0.00 S ATOM 0 H CYS A 55 6.120 18.612 -19.756 1.00 0.00 H new ATOM 0 HA CYS A 55 8.077 19.336 -21.664 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.112 17.642 -19.150 1.00 0.00 H new ATOM 0 HB3 CYS A 55 9.556 17.984 -20.083 1.00 0.00 H new ATOM 688 N GLY A 56 7.820 16.074 -21.276 1.00 0.00 N ATOM 689 CA GLY A 56 8.027 14.814 -21.966 1.00 0.00 C ATOM 690 C GLY A 56 9.367 14.767 -22.678 1.00 0.00 C ATOM 691 O GLY A 56 10.420 14.720 -22.037 1.00 0.00 O ATOM 0 H GLY A 56 7.618 15.985 -20.280 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.969 13.995 -21.249 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.227 14.662 -22.690 1.00 0.00 H new ATOM 695 N SER A 57 9.326 14.804 -24.000 1.00 0.00 N ATOM 696 CA SER A 57 10.526 14.778 -24.819 1.00 0.00 C ATOM 697 C SER A 57 11.005 16.205 -25.127 1.00 0.00 C ATOM 698 O SER A 57 12.012 16.409 -25.814 1.00 0.00 O ATOM 699 CB SER A 57 10.247 14.012 -26.109 1.00 0.00 C ATOM 700 OG SER A 57 9.688 12.739 -25.817 1.00 0.00 O ATOM 0 H SER A 57 8.459 14.853 -24.535 1.00 0.00 H new ATOM 0 HA SER A 57 11.320 14.272 -24.270 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.562 14.582 -26.737 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.171 13.890 -26.674 1.00 0.00 H new ATOM 0 HG SER A 57 9.512 12.259 -26.653 1.00 0.00 H new ATOM 706 N GLY A 58 10.275 17.178 -24.609 1.00 0.00 N ATOM 707 CA GLY A 58 10.624 18.570 -24.791 1.00 0.00 C ATOM 708 C GLY A 58 10.750 19.269 -23.461 1.00 0.00 C ATOM 709 O GLY A 58 10.125 20.304 -23.221 1.00 0.00 O ATOM 0 H GLY A 58 9.432 17.024 -24.056 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.564 18.645 -25.337 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.864 19.064 -25.396 1.00 0.00 H new ATOM 713 N CYS A 59 11.553 18.691 -22.594 1.00 0.00 N ATOM 714 CA CYS A 59 11.761 19.209 -21.261 1.00 0.00 C ATOM 715 C CYS A 59 12.654 20.446 -21.287 1.00 0.00 C ATOM 716 O CYS A 59 13.480 20.614 -22.190 1.00 0.00 O ATOM 717 CB CYS A 59 12.360 18.110 -20.374 1.00 0.00 C ATOM 718 SG CYS A 59 12.885 18.650 -18.731 1.00 0.00 S ATOM 0 H CYS A 59 12.083 17.843 -22.796 1.00 0.00 H new ATOM 0 HA CYS A 59 10.801 19.514 -20.844 1.00 0.00 H new ATOM 0 HB2 CYS A 59 11.623 17.315 -20.260 1.00 0.00 H new ATOM 0 HB3 CYS A 59 13.218 17.677 -20.888 1.00 0.00 H new ATOM 723 N ASN A 60 12.470 21.313 -20.309 1.00 0.00 N ATOM 724 CA ASN A 60 13.244 22.543 -20.210 1.00 0.00 C ATOM 725 C ASN A 60 13.503 22.868 -18.741 1.00 0.00 C ATOM 726 O ASN A 60 13.840 23.996 -18.380 1.00 0.00 O ATOM 727 CB ASN A 60 12.479 23.695 -20.877 1.00 0.00 C ATOM 728 CG ASN A 60 13.316 24.953 -21.035 1.00 0.00 C ATOM 729 OD1 ASN A 60 14.522 24.892 -21.271 1.00 0.00 O ATOM 730 ND2 ASN A 60 12.682 26.099 -20.892 1.00 0.00 N ATOM 0 H ASN A 60 11.785 21.189 -19.564 1.00 0.00 H new ATOM 0 HA ASN A 60 14.198 22.411 -20.720 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.130 23.372 -21.858 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.594 23.927 -20.285 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.192 26.978 -20.976 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.681 26.107 -20.697 1.00 0.00 H new ATOM 737 N CYS A 61 13.350 21.864 -17.896 1.00 0.00 N ATOM 738 CA CYS A 61 13.524 22.040 -16.464 1.00 0.00 C ATOM 739 C CYS A 61 14.962 22.323 -16.081 1.00 0.00 C ATOM 740 O CYS A 61 15.851 22.404 -16.931 1.00 0.00 O ATOM 741 CB CYS A 61 13.013 20.833 -15.701 1.00 0.00 C ATOM 742 SG CYS A 61 11.245 20.847 -15.454 1.00 0.00 S ATOM 0 H CYS A 61 13.105 20.915 -18.177 1.00 0.00 H new ATOM 0 HA CYS A 61 12.934 22.914 -16.189 1.00 0.00 H new ATOM 0 HB2 CYS A 61 13.290 19.927 -16.241 1.00 0.00 H new ATOM 0 HB3 CYS A 61 13.508 20.790 -14.731 1.00 0.00 H new ATOM 747 N LYS A 62 15.181 22.457 -14.794 1.00 0.00 N ATOM 748 CA LYS A 62 16.479 22.786 -14.270 1.00 0.00 C ATOM 749 C LYS A 62 17.165 21.538 -13.722 1.00 0.00 C ATOM 750 O LYS A 62 18.053 20.985 -14.361 1.00 0.00 O ATOM 751 CB LYS A 62 16.328 23.847 -13.181 1.00 0.00 C ATOM 752 CG LYS A 62 15.574 25.116 -13.611 1.00 0.00 C ATOM 753 CD LYS A 62 16.472 26.144 -14.303 1.00 0.00 C ATOM 754 CE LYS A 62 16.879 25.721 -15.706 1.00 0.00 C ATOM 755 NZ LYS A 62 17.701 26.755 -16.379 1.00 0.00 N ATOM 0 H LYS A 62 14.460 22.340 -14.082 1.00 0.00 H new ATOM 0 HA LYS A 62 17.103 23.184 -15.070 1.00 0.00 H new ATOM 0 HB2 LYS A 62 15.808 23.403 -12.332 1.00 0.00 H new ATOM 0 HB3 LYS A 62 17.321 24.133 -12.833 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.763 24.839 -14.285 1.00 0.00 H new ATOM 0 HG3 LYS A 62 15.117 25.574 -12.734 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.950 27.100 -14.354 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.367 26.301 -13.702 1.00 0.00 H new ATOM 0 HE2 LYS A 62 17.440 24.788 -15.655 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.986 25.524 -16.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 17.958 26.428 -17.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.157 27.639 -16.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 18.566 26.925 -15.827 1.00 0.00 H new ATOM 769 N GLU A 63 16.722 21.083 -12.555 1.00 0.00 N ATOM 770 CA GLU A 63 17.290 19.897 -11.920 1.00 0.00 C ATOM 771 C GLU A 63 16.484 19.493 -10.699 1.00 0.00 C ATOM 772 O GLU A 63 16.173 18.328 -10.519 1.00 0.00 O ATOM 773 CB GLU A 63 18.745 20.120 -11.521 1.00 0.00 C ATOM 774 CG GLU A 63 19.391 18.899 -10.891 1.00 0.00 C ATOM 775 CD GLU A 63 20.840 19.116 -10.580 1.00 0.00 C ATOM 776 OE1 GLU A 63 21.676 18.940 -11.496 1.00 0.00 O ATOM 777 OE2 GLU A 63 21.156 19.484 -9.433 1.00 0.00 O ATOM 0 H GLU A 63 15.967 21.520 -12.026 1.00 0.00 H new ATOM 0 HA GLU A 63 17.250 19.092 -12.654 1.00 0.00 H new ATOM 0 HB2 GLU A 63 19.316 20.409 -12.403 1.00 0.00 H new ATOM 0 HB3 GLU A 63 18.798 20.953 -10.820 1.00 0.00 H new ATOM 0 HG2 GLU A 63 18.860 18.643 -9.974 1.00 0.00 H new ATOM 0 HG3 GLU A 63 19.290 18.049 -11.566 1.00 0.00 H new ATOM 784 N ASP A 64 16.140 20.462 -9.865 1.00 0.00 N ATOM 785 CA ASP A 64 15.367 20.207 -8.648 1.00 0.00 C ATOM 786 C ASP A 64 13.895 19.911 -8.966 1.00 0.00 C ATOM 787 O ASP A 64 12.983 20.462 -8.353 1.00 0.00 O ATOM 788 CB ASP A 64 15.487 21.401 -7.703 1.00 0.00 C ATOM 789 CG ASP A 64 16.738 21.348 -6.846 1.00 0.00 C ATOM 790 OD1 ASP A 64 17.821 21.741 -7.334 1.00 0.00 O ATOM 791 OD2 ASP A 64 16.645 20.921 -5.678 1.00 0.00 O ATOM 0 H ASP A 64 16.384 21.442 -10.006 1.00 0.00 H new ATOM 0 HA ASP A 64 15.776 19.322 -8.161 1.00 0.00 H new ATOM 0 HB2 ASP A 64 15.490 22.322 -8.287 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.610 21.437 -7.056 1.00 0.00 H new ATOM 796 N CYS A 65 13.692 19.034 -9.925 1.00 0.00 N ATOM 797 CA CYS A 65 12.381 18.612 -10.350 1.00 0.00 C ATOM 798 C CYS A 65 12.134 17.193 -9.882 1.00 0.00 C ATOM 799 O CYS A 65 13.001 16.324 -10.034 1.00 0.00 O ATOM 800 CB CYS A 65 12.288 18.683 -11.879 1.00 0.00 C ATOM 801 SG CYS A 65 10.794 17.934 -12.586 1.00 0.00 S ATOM 0 H CYS A 65 14.451 18.587 -10.440 1.00 0.00 H new ATOM 0 HA CYS A 65 11.627 19.269 -9.918 1.00 0.00 H new ATOM 0 HB2 CYS A 65 12.332 19.729 -12.183 1.00 0.00 H new ATOM 0 HB3 CYS A 65 13.161 18.190 -12.305 1.00 0.00 H new ATOM 806 N ARG A 66 10.970 16.951 -9.312 1.00 0.00 N ATOM 807 CA ARG A 66 10.630 15.625 -8.831 1.00 0.00 C ATOM 808 C ARG A 66 9.455 15.052 -9.579 1.00 0.00 C ATOM 809 O ARG A 66 8.646 14.299 -9.031 1.00 0.00 O ATOM 810 CB ARG A 66 10.421 15.601 -7.311 1.00 0.00 C ATOM 811 CG ARG A 66 9.704 16.800 -6.744 1.00 0.00 C ATOM 812 CD ARG A 66 8.363 16.420 -6.144 1.00 0.00 C ATOM 813 NE ARG A 66 8.505 15.539 -4.980 1.00 0.00 N ATOM 814 CZ ARG A 66 7.999 15.800 -3.769 1.00 0.00 C ATOM 815 NH1 ARG A 66 7.323 16.928 -3.549 1.00 0.00 N ATOM 816 NH2 ARG A 66 8.168 14.933 -2.780 1.00 0.00 N ATOM 0 H ARG A 66 10.244 17.654 -9.170 1.00 0.00 H new ATOM 0 HA ARG A 66 11.483 14.977 -9.034 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.858 14.704 -7.052 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.394 15.517 -6.827 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.325 17.268 -5.980 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.554 17.540 -7.530 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.829 17.324 -5.850 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.756 15.924 -6.901 1.00 0.00 H new ATOM 0 HE ARG A 66 9.024 14.669 -5.102 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.189 17.598 -4.306 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.940 17.121 -2.624 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.683 14.068 -2.943 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.783 15.131 -1.857 1.00 0.00 H new ATOM 830 N CYS A 67 9.378 15.401 -10.839 1.00 0.00 N ATOM 831 CA CYS A 67 8.376 14.867 -11.708 1.00 0.00 C ATOM 832 C CYS A 67 8.901 13.592 -12.342 1.00 0.00 C ATOM 833 O CYS A 67 10.080 13.493 -12.657 1.00 0.00 O ATOM 834 CB CYS A 67 8.020 15.871 -12.788 1.00 0.00 C ATOM 835 SG CYS A 67 6.744 15.291 -13.909 1.00 0.00 S ATOM 0 H CYS A 67 10.012 16.064 -11.285 1.00 0.00 H new ATOM 0 HA CYS A 67 7.477 14.651 -11.130 1.00 0.00 H new ATOM 0 HB2 CYS A 67 7.687 16.796 -12.318 1.00 0.00 H new ATOM 0 HB3 CYS A 67 8.916 16.109 -13.361 1.00 0.00 H new ATOM 840 N GLN A 68 8.036 12.627 -12.538 1.00 0.00 N ATOM 841 CA GLN A 68 8.452 11.344 -13.086 1.00 0.00 C ATOM 842 C GLN A 68 8.062 11.202 -14.552 1.00 0.00 C ATOM 843 O GLN A 68 8.122 10.109 -15.111 1.00 0.00 O ATOM 844 CB GLN A 68 7.848 10.196 -12.276 1.00 0.00 C ATOM 845 CG GLN A 68 6.334 10.261 -12.154 1.00 0.00 C ATOM 846 CD GLN A 68 5.870 10.744 -10.793 1.00 0.00 C ATOM 847 OE1 GLN A 68 4.782 10.403 -10.345 1.00 0.00 O ATOM 848 NE2 GLN A 68 6.705 11.513 -10.108 1.00 0.00 N ATOM 0 H GLN A 68 7.040 12.698 -12.329 1.00 0.00 H new ATOM 0 HA GLN A 68 9.539 11.301 -13.021 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.125 9.250 -12.741 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.284 10.200 -11.277 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.941 10.926 -12.923 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.917 9.272 -12.344 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.603 11.777 -10.513 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.449 11.840 -9.176 1.00 0.00 H new ATOM 857 N SER A 69 7.667 12.293 -15.174 1.00 0.00 N ATOM 858 CA SER A 69 7.254 12.248 -16.557 1.00 0.00 C ATOM 859 C SER A 69 8.331 12.797 -17.498 1.00 0.00 C ATOM 860 O SER A 69 8.520 12.285 -18.603 1.00 0.00 O ATOM 861 CB SER A 69 5.948 13.012 -16.725 1.00 0.00 C ATOM 862 OG SER A 69 4.948 12.486 -15.861 1.00 0.00 O ATOM 0 H SER A 69 7.624 13.217 -14.744 1.00 0.00 H new ATOM 0 HA SER A 69 7.100 11.204 -16.830 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.107 14.068 -16.506 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.613 12.948 -17.760 1.00 0.00 H new ATOM 0 HG SER A 69 4.115 12.989 -15.980 1.00 0.00 H new ATOM 868 N CYS A 70 9.041 13.824 -17.064 1.00 0.00 N ATOM 869 CA CYS A 70 10.055 14.431 -17.911 1.00 0.00 C ATOM 870 C CYS A 70 11.464 14.156 -17.407 1.00 0.00 C ATOM 871 O CYS A 70 12.438 14.355 -18.132 1.00 0.00 O ATOM 872 CB CYS A 70 9.821 15.923 -18.022 1.00 0.00 C ATOM 873 SG CYS A 70 9.884 16.801 -16.449 1.00 0.00 S ATOM 0 H CYS A 70 8.937 14.251 -16.143 1.00 0.00 H new ATOM 0 HA CYS A 70 9.968 13.977 -18.898 1.00 0.00 H new ATOM 0 HB2 CYS A 70 10.568 16.348 -18.692 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.847 16.093 -18.481 1.00 0.00 H new ATOM 878 N SER A 71 11.571 13.704 -16.171 1.00 0.00 N ATOM 879 CA SER A 71 12.865 13.404 -15.589 1.00 0.00 C ATOM 880 C SER A 71 13.433 12.109 -16.183 1.00 0.00 C ATOM 881 O SER A 71 12.760 11.414 -16.961 1.00 0.00 O ATOM 882 CB SER A 71 12.745 13.294 -14.062 1.00 0.00 C ATOM 883 OG SER A 71 14.014 13.154 -13.440 1.00 0.00 O ATOM 0 H SER A 71 10.778 13.537 -15.552 1.00 0.00 H new ATOM 0 HA SER A 71 13.552 14.216 -15.825 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.246 14.181 -13.672 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.120 12.438 -13.808 1.00 0.00 H new ATOM 0 HG SER A 71 13.992 12.397 -12.818 1.00 0.00 H new ATOM 889 N THR A 72 14.654 11.797 -15.824 1.00 0.00 N ATOM 890 CA THR A 72 15.311 10.606 -16.303 1.00 0.00 C ATOM 891 C THR A 72 14.898 9.405 -15.450 1.00 0.00 C ATOM 892 O THR A 72 14.405 9.570 -14.330 1.00 0.00 O ATOM 893 CB THR A 72 16.855 10.774 -16.268 1.00 0.00 C ATOM 894 OG1 THR A 72 17.500 9.639 -16.857 1.00 0.00 O ATOM 895 CG2 THR A 72 17.352 10.949 -14.841 1.00 0.00 C ATOM 0 H THR A 72 15.221 12.362 -15.191 1.00 0.00 H new ATOM 0 HA THR A 72 15.007 10.437 -17.336 1.00 0.00 H new ATOM 0 HB THR A 72 17.102 11.667 -16.842 1.00 0.00 H new ATOM 0 HG1 THR A 72 18.472 9.763 -16.828 1.00 0.00 H new ATOM 0 HG21 THR A 72 18.436 11.064 -14.845 1.00 0.00 H new ATOM 0 HG22 THR A 72 16.894 11.836 -14.402 1.00 0.00 H new ATOM 0 HG23 THR A 72 17.083 10.072 -14.252 1.00 0.00 H new ATOM 903 N ALA A 73 15.080 8.210 -15.982 1.00 0.00 N ATOM 904 CA ALA A 73 14.743 7.001 -15.262 1.00 0.00 C ATOM 905 C ALA A 73 15.696 6.789 -14.105 1.00 0.00 C ATOM 906 O ALA A 73 16.859 6.423 -14.299 1.00 0.00 O ATOM 907 CB ALA A 73 14.759 5.802 -16.196 1.00 0.00 C ATOM 0 H ALA A 73 15.461 8.053 -16.915 1.00 0.00 H new ATOM 0 HA ALA A 73 13.735 7.109 -14.861 1.00 0.00 H new ATOM 0 HB1 ALA A 73 14.503 4.902 -15.637 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.032 5.953 -16.994 1.00 0.00 H new ATOM 0 HB3 ALA A 73 15.754 5.690 -16.628 1.00 0.00 H new ATOM 913 N CYS A 74 15.211 7.045 -12.908 1.00 0.00 N ATOM 914 CA CYS A 74 15.996 6.866 -11.707 1.00 0.00 C ATOM 915 C CYS A 74 16.469 5.440 -11.567 1.00 0.00 C ATOM 916 O CYS A 74 15.833 4.509 -12.066 1.00 0.00 O ATOM 917 CB CYS A 74 15.184 7.249 -10.484 1.00 0.00 C ATOM 918 SG CYS A 74 14.792 8.995 -10.380 1.00 0.00 S ATOM 0 H CYS A 74 14.263 7.382 -12.741 1.00 0.00 H new ATOM 0 HA CYS A 74 16.868 7.515 -11.785 1.00 0.00 H new ATOM 0 HB2 CYS A 74 14.255 6.679 -10.485 1.00 0.00 H new ATOM 0 HB3 CYS A 74 15.735 6.958 -9.590 1.00 0.00 H new ATOM 923 N LYS A 75 17.582 5.267 -10.878 1.00 0.00 N ATOM 924 CA LYS A 75 18.121 3.944 -10.621 1.00 0.00 C ATOM 925 C LYS A 75 17.391 3.303 -9.463 1.00 0.00 C ATOM 926 O LYS A 75 17.977 2.586 -8.654 1.00 0.00 O ATOM 927 CB LYS A 75 19.621 4.015 -10.338 1.00 0.00 C ATOM 928 CG LYS A 75 20.449 4.326 -11.566 1.00 0.00 C ATOM 929 CD LYS A 75 20.322 3.224 -12.602 1.00 0.00 C ATOM 930 CE LYS A 75 20.985 3.617 -13.909 1.00 0.00 C ATOM 931 NZ LYS A 75 20.857 2.557 -14.938 1.00 0.00 N ATOM 0 H LYS A 75 18.133 6.030 -10.485 1.00 0.00 H new ATOM 0 HA LYS A 75 17.975 3.331 -11.510 1.00 0.00 H new ATOM 0 HB2 LYS A 75 19.805 4.778 -9.582 1.00 0.00 H new ATOM 0 HB3 LYS A 75 19.950 3.064 -9.918 1.00 0.00 H new ATOM 0 HG2 LYS A 75 20.125 5.274 -11.997 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.495 4.445 -11.283 1.00 0.00 H new ATOM 0 HD2 LYS A 75 20.777 2.310 -12.221 1.00 0.00 H new ATOM 0 HD3 LYS A 75 19.268 3.006 -12.777 1.00 0.00 H new ATOM 0 HE2 LYS A 75 20.537 4.539 -14.280 1.00 0.00 H new ATOM 0 HE3 LYS A 75 22.040 3.825 -13.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 21.323 2.866 -15.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 21.307 1.684 -14.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 19.850 2.376 -15.127 1.00 0.00 H new ATOM 945 N CYS A 76 16.111 3.561 -9.394 1.00 0.00 N ATOM 946 CA CYS A 76 15.295 3.029 -8.370 1.00 0.00 C ATOM 947 C CYS A 76 14.455 1.910 -8.945 1.00 0.00 C ATOM 948 O CYS A 76 13.570 2.142 -9.757 1.00 0.00 O ATOM 949 CB CYS A 76 14.397 4.113 -7.788 1.00 0.00 C ATOM 950 SG CYS A 76 15.244 5.674 -7.399 1.00 0.00 S ATOM 0 H CYS A 76 15.615 4.153 -10.060 1.00 0.00 H new ATOM 0 HA CYS A 76 15.925 2.643 -7.568 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.593 4.318 -8.495 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.932 3.731 -6.879 1.00 0.00 H new ATOM 955 N ALA A 77 14.760 0.708 -8.545 1.00 0.00 N ATOM 956 CA ALA A 77 14.042 -0.471 -9.002 1.00 0.00 C ATOM 957 C ALA A 77 14.256 -1.604 -8.038 1.00 0.00 C ATOM 958 O ALA A 77 15.344 -1.728 -7.470 1.00 0.00 O ATOM 959 CB ALA A 77 14.486 -0.867 -10.404 1.00 0.00 C ATOM 0 H ALA A 77 15.515 0.507 -7.890 1.00 0.00 H new ATOM 0 HA ALA A 77 12.978 -0.238 -9.042 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.935 -1.751 -10.724 1.00 0.00 H new ATOM 0 HB2 ALA A 77 14.288 -0.047 -11.094 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.554 -1.087 -10.399 1.00 0.00 H new ATOM 965 N ALA A 78 13.204 -2.404 -7.828 1.00 0.00 N ATOM 966 CA ALA A 78 13.217 -3.543 -6.899 1.00 0.00 C ATOM 967 C ALA A 78 13.346 -3.075 -5.457 1.00 0.00 C ATOM 968 O ALA A 78 12.433 -3.223 -4.656 1.00 0.00 O ATOM 969 CB ALA A 78 14.324 -4.535 -7.257 1.00 0.00 C ATOM 0 H ALA A 78 12.310 -2.279 -8.303 1.00 0.00 H new ATOM 0 HA ALA A 78 12.263 -4.060 -6.996 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.309 -5.367 -6.553 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.162 -4.912 -8.267 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.291 -4.035 -7.207 1.00 0.00 H new ATOM 975 N GLY A 79 14.469 -2.499 -5.158 1.00 0.00 N ATOM 976 CA GLY A 79 14.740 -1.982 -3.835 1.00 0.00 C ATOM 977 C GLY A 79 15.898 -1.014 -3.853 1.00 0.00 C ATOM 978 O GLY A 79 16.484 -0.715 -2.826 1.00 0.00 O ATOM 0 H GLY A 79 15.233 -2.369 -5.822 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.852 -1.483 -3.448 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.963 -2.807 -3.158 1.00 0.00 H new ATOM 982 N SER A 80 16.207 -0.504 -5.038 1.00 0.00 N ATOM 983 CA SER A 80 17.341 0.386 -5.220 1.00 0.00 C ATOM 984 C SER A 80 16.948 1.856 -4.993 1.00 0.00 C ATOM 985 O SER A 80 17.711 2.767 -5.303 1.00 0.00 O ATOM 986 CB SER A 80 17.939 0.182 -6.624 1.00 0.00 C ATOM 987 OG SER A 80 19.148 0.909 -6.797 1.00 0.00 O ATOM 0 H SER A 80 15.683 -0.695 -5.892 1.00 0.00 H new ATOM 0 HA SER A 80 18.097 0.140 -4.474 1.00 0.00 H new ATOM 0 HB2 SER A 80 18.127 -0.879 -6.788 1.00 0.00 H new ATOM 0 HB3 SER A 80 17.215 0.497 -7.376 1.00 0.00 H new ATOM 0 HG SER A 80 19.014 1.611 -7.467 1.00 0.00 H new ATOM 993 N CYS A 81 15.770 2.084 -4.440 1.00 0.00 N ATOM 994 CA CYS A 81 15.337 3.438 -4.137 1.00 0.00 C ATOM 995 C CYS A 81 15.840 3.796 -2.739 1.00 0.00 C ATOM 996 O CYS A 81 15.049 4.007 -1.812 1.00 0.00 O ATOM 997 CB CYS A 81 13.809 3.534 -4.183 1.00 0.00 C ATOM 998 SG CYS A 81 13.165 5.191 -4.521 1.00 0.00 S ATOM 0 H CYS A 81 15.100 1.356 -4.193 1.00 0.00 H new ATOM 0 HA CYS A 81 15.741 4.131 -4.875 1.00 0.00 H new ATOM 0 HB2 CYS A 81 13.439 2.852 -4.948 1.00 0.00 H new ATOM 0 HB3 CYS A 81 13.408 3.191 -3.229 1.00 0.00 H new ATOM 1003 N LYS A 82 17.167 3.836 -2.584 1.00 0.00 N ATOM 1004 CA LYS A 82 17.786 4.053 -1.273 1.00 0.00 C ATOM 1005 C LYS A 82 17.709 5.507 -0.805 1.00 0.00 C ATOM 1006 O LYS A 82 18.434 5.912 0.108 1.00 0.00 O ATOM 1007 CB LYS A 82 19.245 3.536 -1.231 1.00 0.00 C ATOM 1008 CG LYS A 82 20.207 4.154 -2.252 1.00 0.00 C ATOM 1009 CD LYS A 82 20.445 3.222 -3.437 1.00 0.00 C ATOM 1010 CE LYS A 82 21.716 3.591 -4.215 1.00 0.00 C ATOM 1011 NZ LYS A 82 21.657 4.953 -4.812 1.00 0.00 N ATOM 0 H LYS A 82 17.832 3.721 -3.349 1.00 0.00 H new ATOM 0 HA LYS A 82 17.197 3.465 -0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.644 3.714 -0.232 1.00 0.00 H new ATOM 0 HB3 LYS A 82 19.231 2.457 -1.382 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.801 5.100 -2.609 1.00 0.00 H new ATOM 0 HG3 LYS A 82 21.158 4.378 -1.768 1.00 0.00 H new ATOM 0 HD2 LYS A 82 20.524 2.195 -3.080 1.00 0.00 H new ATOM 0 HD3 LYS A 82 19.586 3.261 -4.107 1.00 0.00 H new ATOM 0 HE2 LYS A 82 22.575 3.530 -3.547 1.00 0.00 H new ATOM 0 HE3 LYS A 82 21.876 2.860 -5.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 22.388 5.042 -5.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 20.720 5.106 -5.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 21.823 5.664 -4.071 1.00 0.00 H new ATOM 1025 N CYS A 83 16.823 6.279 -1.404 1.00 0.00 N ATOM 1026 CA CYS A 83 16.624 7.648 -0.987 1.00 0.00 C ATOM 1027 C CYS A 83 15.820 7.665 0.297 1.00 0.00 C ATOM 1028 O CYS A 83 16.069 8.470 1.195 1.00 0.00 O ATOM 1029 CB CYS A 83 15.880 8.429 -2.057 1.00 0.00 C ATOM 1030 SG CYS A 83 14.186 7.852 -2.342 1.00 0.00 S ATOM 0 H CYS A 83 16.232 5.980 -2.179 1.00 0.00 H new ATOM 0 HA CYS A 83 17.597 8.113 -0.827 1.00 0.00 H new ATOM 0 HB2 CYS A 83 15.852 9.481 -1.772 1.00 0.00 H new ATOM 0 HB3 CYS A 83 16.437 8.367 -2.992 1.00 0.00 H new ATOM 1035 N GLY A 84 14.854 6.755 0.378 1.00 0.00 N ATOM 1036 CA GLY A 84 14.011 6.683 1.540 1.00 0.00 C ATOM 1037 C GLY A 84 12.547 6.629 1.173 1.00 0.00 C ATOM 1038 O GLY A 84 11.706 6.299 2.010 1.00 0.00 O ATOM 0 H GLY A 84 14.646 6.068 -0.347 1.00 0.00 H new ATOM 0 HA2 GLY A 84 14.272 5.800 2.123 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.194 7.550 2.175 1.00 0.00 H new ATOM 1042 N LYS A 85 12.237 6.959 -0.079 1.00 0.00 N ATOM 1043 CA LYS A 85 10.861 6.919 -0.559 1.00 0.00 C ATOM 1044 C LYS A 85 10.398 5.479 -0.713 1.00 0.00 C ATOM 1045 O LYS A 85 9.301 5.121 -0.283 1.00 0.00 O ATOM 1046 CB LYS A 85 10.721 7.654 -1.899 1.00 0.00 C ATOM 1047 CG LYS A 85 11.058 9.141 -1.851 1.00 0.00 C ATOM 1048 CD LYS A 85 10.143 9.909 -0.906 1.00 0.00 C ATOM 1049 CE LYS A 85 8.696 9.888 -1.369 1.00 0.00 C ATOM 1050 NZ LYS A 85 7.807 10.611 -0.426 1.00 0.00 N ATOM 0 H LYS A 85 12.919 7.256 -0.776 1.00 0.00 H new ATOM 0 HA LYS A 85 10.235 7.422 0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.369 7.172 -2.631 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.697 7.539 -2.255 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.093 9.267 -1.534 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.978 9.562 -2.853 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.210 9.478 0.093 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.484 10.941 -0.831 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.624 10.342 -2.357 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.360 8.856 -1.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.828 10.575 -0.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.857 10.163 0.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.112 11.602 -0.352 1.00 0.00 H new ATOM 1064 N GLY A 86 11.238 4.658 -1.331 1.00 0.00 N ATOM 1065 CA GLY A 86 10.904 3.260 -1.521 1.00 0.00 C ATOM 1066 C GLY A 86 9.950 3.051 -2.678 1.00 0.00 C ATOM 1067 O GLY A 86 9.113 2.145 -2.650 1.00 0.00 O ATOM 0 H GLY A 86 12.146 4.936 -1.704 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.817 2.691 -1.698 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.456 2.868 -0.608 1.00 0.00 H new ATOM 1071 N CYS A 87 10.078 3.883 -3.695 1.00 0.00 N ATOM 1072 CA CYS A 87 9.218 3.807 -4.866 1.00 0.00 C ATOM 1073 C CYS A 87 9.617 2.646 -5.740 1.00 0.00 C ATOM 1074 O CYS A 87 8.766 1.892 -6.214 1.00 0.00 O ATOM 1075 CB CYS A 87 9.327 5.087 -5.652 1.00 0.00 C ATOM 1076 SG CYS A 87 9.126 6.554 -4.642 1.00 0.00 S ATOM 0 H CYS A 87 10.775 4.626 -3.735 1.00 0.00 H new ATOM 0 HA CYS A 87 8.189 3.661 -4.537 1.00 0.00 H new ATOM 0 HB2 CYS A 87 10.299 5.122 -6.144 1.00 0.00 H new ATOM 0 HB3 CYS A 87 8.572 5.089 -6.438 1.00 0.00 H new ATOM 1081 N THR A 88 10.925 2.517 -5.949 1.00 0.00 N ATOM 1082 CA THR A 88 11.506 1.448 -6.749 1.00 0.00 C ATOM 1083 C THR A 88 10.890 1.393 -8.147 1.00 0.00 C ATOM 1084 O THR A 88 10.392 0.357 -8.588 1.00 0.00 O ATOM 1085 CB THR A 88 11.401 0.066 -6.041 1.00 0.00 C ATOM 1086 OG1 THR A 88 10.034 -0.307 -5.853 1.00 0.00 O ATOM 1087 CG2 THR A 88 12.090 0.117 -4.688 1.00 0.00 C ATOM 0 H THR A 88 11.616 3.160 -5.563 1.00 0.00 H new ATOM 0 HA THR A 88 12.566 1.679 -6.858 1.00 0.00 H new ATOM 0 HB THR A 88 11.888 -0.674 -6.676 1.00 0.00 H new ATOM 0 HG1 THR A 88 9.454 0.327 -6.324 1.00 0.00 H new ATOM 0 HG21 THR A 88 12.010 -0.855 -4.202 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.142 0.369 -4.825 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.613 0.874 -4.065 1.00 0.00 H new ATOM 1095 N GLY A 89 10.930 2.519 -8.830 1.00 0.00 N ATOM 1096 CA GLY A 89 10.390 2.592 -10.169 1.00 0.00 C ATOM 1097 C GLY A 89 10.135 4.016 -10.592 1.00 0.00 C ATOM 1098 O GLY A 89 9.449 4.752 -9.886 1.00 0.00 O ATOM 0 H GLY A 89 11.329 3.391 -8.481 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.084 2.124 -10.867 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.460 2.026 -10.217 1.00 0.00 H new ATOM 1102 N PRO A 90 10.634 4.423 -11.776 1.00 0.00 N ATOM 1103 CA PRO A 90 10.551 5.817 -12.245 1.00 0.00 C ATOM 1104 C PRO A 90 9.127 6.278 -12.546 1.00 0.00 C ATOM 1105 O PRO A 90 8.901 7.443 -12.846 1.00 0.00 O ATOM 1106 CB PRO A 90 11.394 5.818 -13.523 1.00 0.00 C ATOM 1107 CG PRO A 90 11.360 4.409 -14.001 1.00 0.00 C ATOM 1108 CD PRO A 90 11.295 3.549 -12.767 1.00 0.00 C ATOM 0 HA PRO A 90 10.901 6.508 -11.478 1.00 0.00 H new ATOM 0 HB2 PRO A 90 10.982 6.499 -14.268 1.00 0.00 H new ATOM 0 HB3 PRO A 90 12.415 6.144 -13.323 1.00 0.00 H new ATOM 0 HG2 PRO A 90 10.496 4.236 -14.642 1.00 0.00 H new ATOM 0 HG3 PRO A 90 12.246 4.177 -14.591 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.725 2.637 -12.942 1.00 0.00 H new ATOM 0 HD3 PRO A 90 12.288 3.245 -12.436 1.00 0.00 H new ATOM 1116 N ASP A 91 8.178 5.368 -12.474 1.00 0.00 N ATOM 1117 CA ASP A 91 6.785 5.715 -12.709 1.00 0.00 C ATOM 1118 C ASP A 91 6.067 5.969 -11.395 1.00 0.00 C ATOM 1119 O ASP A 91 4.901 6.359 -11.379 1.00 0.00 O ATOM 1120 CB ASP A 91 6.070 4.613 -13.494 1.00 0.00 C ATOM 1121 CG ASP A 91 6.465 4.578 -14.956 1.00 0.00 C ATOM 1122 OD1 ASP A 91 5.610 4.883 -15.816 1.00 0.00 O ATOM 1123 OD2 ASP A 91 7.631 4.254 -15.259 1.00 0.00 O ATOM 0 H ASP A 91 8.341 4.385 -12.256 1.00 0.00 H new ATOM 0 HA ASP A 91 6.765 6.629 -13.302 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.293 3.648 -13.040 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.993 4.760 -13.418 1.00 0.00 H new ATOM 1128 N SER A 92 6.773 5.765 -10.293 1.00 0.00 N ATOM 1129 CA SER A 92 6.191 5.945 -8.975 1.00 0.00 C ATOM 1130 C SER A 92 7.165 6.685 -8.048 1.00 0.00 C ATOM 1131 O SER A 92 7.021 6.648 -6.829 1.00 0.00 O ATOM 1132 CB SER A 92 5.825 4.570 -8.385 1.00 0.00 C ATOM 1133 OG SER A 92 5.078 4.695 -7.182 1.00 0.00 O ATOM 0 H SER A 92 7.751 5.474 -10.287 1.00 0.00 H new ATOM 0 HA SER A 92 5.288 6.550 -9.065 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.247 4.003 -9.115 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.736 4.004 -8.190 1.00 0.00 H new ATOM 0 HG SER A 92 5.418 5.454 -6.663 1.00 0.00 H new ATOM 1139 N CYS A 93 8.127 7.382 -8.629 1.00 0.00 N ATOM 1140 CA CYS A 93 9.128 8.092 -7.844 1.00 0.00 C ATOM 1141 C CYS A 93 8.661 9.481 -7.493 1.00 0.00 C ATOM 1142 O CYS A 93 8.541 10.344 -8.354 1.00 0.00 O ATOM 1143 CB CYS A 93 10.472 8.157 -8.574 1.00 0.00 C ATOM 1144 SG CYS A 93 11.374 6.595 -8.599 1.00 0.00 S ATOM 0 H CYS A 93 8.238 7.473 -9.639 1.00 0.00 H new ATOM 0 HA CYS A 93 9.268 7.530 -6.921 1.00 0.00 H new ATOM 0 HB2 CYS A 93 10.300 8.481 -9.600 1.00 0.00 H new ATOM 0 HB3 CYS A 93 11.094 8.916 -8.100 1.00 0.00 H new ATOM 1149 N LYS A 94 8.389 9.688 -6.225 1.00 0.00 N ATOM 1150 CA LYS A 94 7.949 10.978 -5.743 1.00 0.00 C ATOM 1151 C LYS A 94 9.140 11.785 -5.225 1.00 0.00 C ATOM 1152 O LYS A 94 8.997 12.662 -4.363 1.00 0.00 O ATOM 1153 CB LYS A 94 6.885 10.808 -4.647 1.00 0.00 C ATOM 1154 CG LYS A 94 5.538 10.294 -5.162 1.00 0.00 C ATOM 1155 CD LYS A 94 5.500 8.779 -5.360 1.00 0.00 C ATOM 1156 CE LYS A 94 5.686 8.003 -4.071 1.00 0.00 C ATOM 1157 NZ LYS A 94 5.671 6.544 -4.325 1.00 0.00 N ATOM 0 H LYS A 94 8.466 8.972 -5.502 1.00 0.00 H new ATOM 0 HA LYS A 94 7.498 11.526 -6.571 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.262 10.117 -3.893 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.731 11.767 -4.152 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.756 10.580 -4.459 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.310 10.782 -6.109 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.546 8.502 -5.809 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.280 8.492 -6.065 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.630 8.285 -3.605 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.894 8.262 -3.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.999 6.040 -3.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.703 6.242 -4.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 6.301 6.324 -5.123 1.00 0.00 H new ATOM 1171 N CYS A 95 10.298 11.494 -5.777 1.00 0.00 N ATOM 1172 CA CYS A 95 11.537 12.158 -5.407 1.00 0.00 C ATOM 1173 C CYS A 95 12.135 12.858 -6.617 1.00 0.00 C ATOM 1174 O CYS A 95 11.702 12.629 -7.751 1.00 0.00 O ATOM 1175 CB CYS A 95 12.528 11.148 -4.830 1.00 0.00 C ATOM 1176 SG CYS A 95 12.783 9.690 -5.864 1.00 0.00 S ATOM 0 H CYS A 95 10.411 10.785 -6.501 1.00 0.00 H new ATOM 0 HA CYS A 95 11.322 12.905 -4.643 1.00 0.00 H new ATOM 0 HB2 CYS A 95 13.487 11.643 -4.677 1.00 0.00 H new ATOM 0 HB3 CYS A 95 12.174 10.828 -3.850 1.00 0.00 H new ATOM 1181 N ASP A 96 13.098 13.734 -6.381 1.00 0.00 N ATOM 1182 CA ASP A 96 13.722 14.472 -7.463 1.00 0.00 C ATOM 1183 C ASP A 96 14.852 13.702 -8.115 1.00 0.00 C ATOM 1184 O ASP A 96 15.297 12.669 -7.626 1.00 0.00 O ATOM 1185 CB ASP A 96 14.212 15.835 -6.998 1.00 0.00 C ATOM 1186 CG ASP A 96 15.454 15.759 -6.154 1.00 0.00 C ATOM 1187 OD1 ASP A 96 15.398 15.201 -5.046 1.00 0.00 O ATOM 1188 OD2 ASP A 96 16.484 16.290 -6.589 1.00 0.00 O ATOM 0 H ASP A 96 13.462 13.950 -5.453 1.00 0.00 H new ATOM 0 HA ASP A 96 12.948 14.619 -8.216 1.00 0.00 H new ATOM 0 HB2 ASP A 96 14.409 16.460 -7.869 1.00 0.00 H new ATOM 0 HB3 ASP A 96 13.422 16.323 -6.428 1.00 0.00 H new ATOM 1193 N ARG A 97 15.331 14.246 -9.209 1.00 0.00 N ATOM 1194 CA ARG A 97 16.369 13.609 -10.017 1.00 0.00 C ATOM 1195 C ARG A 97 17.764 13.852 -9.454 1.00 0.00 C ATOM 1196 O ARG A 97 18.748 13.328 -9.973 1.00 0.00 O ATOM 1197 CB ARG A 97 16.289 14.113 -11.443 1.00 0.00 C ATOM 1198 CG ARG A 97 16.357 15.615 -11.543 1.00 0.00 C ATOM 1199 CD ARG A 97 16.009 16.098 -12.924 1.00 0.00 C ATOM 1200 NE ARG A 97 17.009 15.707 -13.914 1.00 0.00 N ATOM 1201 CZ ARG A 97 16.960 16.042 -15.206 1.00 0.00 C ATOM 1202 NH1 ARG A 97 15.914 16.713 -15.690 1.00 0.00 N ATOM 1203 NH2 ARG A 97 17.946 15.683 -16.019 1.00 0.00 N ATOM 0 H ARG A 97 15.017 15.146 -9.573 1.00 0.00 H new ATOM 0 HA ARG A 97 16.192 12.534 -9.995 1.00 0.00 H new ATOM 0 HB2 ARG A 97 17.104 13.679 -12.022 1.00 0.00 H new ATOM 0 HB3 ARG A 97 15.359 13.766 -11.893 1.00 0.00 H new ATOM 0 HG2 ARG A 97 15.673 16.059 -10.819 1.00 0.00 H new ATOM 0 HG3 ARG A 97 17.360 15.952 -11.282 1.00 0.00 H new ATOM 0 HD2 ARG A 97 15.038 15.697 -13.213 1.00 0.00 H new ATOM 0 HD3 ARG A 97 15.915 17.184 -12.914 1.00 0.00 H new ATOM 0 HE ARG A 97 17.796 15.141 -13.598 1.00 0.00 H new ATOM 0 HH11 ARG A 97 15.145 16.973 -15.072 1.00 0.00 H new ATOM 0 HH12 ARG A 97 15.883 16.966 -16.678 1.00 0.00 H new ATOM 0 HH21 ARG A 97 18.738 15.153 -15.657 1.00 0.00 H new ATOM 0 HH22 ARG A 97 17.911 15.937 -17.006 1.00 0.00 H new ATOM 1217 N SER A 98 17.849 14.648 -8.418 1.00 0.00 N ATOM 1218 CA SER A 98 19.107 14.911 -7.767 1.00 0.00 C ATOM 1219 C SER A 98 19.037 14.381 -6.345 1.00 0.00 C ATOM 1220 O SER A 98 19.857 14.732 -5.480 1.00 0.00 O ATOM 1221 CB SER A 98 19.406 16.416 -7.777 1.00 0.00 C ATOM 1222 OG SER A 98 20.693 16.689 -7.244 1.00 0.00 O ATOM 0 H SER A 98 17.051 15.130 -8.004 1.00 0.00 H new ATOM 0 HA SER A 98 19.915 14.410 -8.300 1.00 0.00 H new ATOM 0 HB2 SER A 98 19.345 16.794 -8.797 1.00 0.00 H new ATOM 0 HB3 SER A 98 18.650 16.943 -7.195 1.00 0.00 H new ATOM 0 HG SER A 98 20.838 16.143 -6.443 1.00 0.00 H new ATOM 1228 N CYS A 99 18.054 13.511 -6.118 1.00 0.00 N ATOM 1229 CA CYS A 99 17.817 12.926 -4.820 1.00 0.00 C ATOM 1230 C CYS A 99 18.997 12.054 -4.390 1.00 0.00 C ATOM 1231 O CYS A 99 19.933 11.820 -5.166 1.00 0.00 O ATOM 1232 CB CYS A 99 16.516 12.116 -4.837 1.00 0.00 C ATOM 1233 SG CYS A 99 15.729 11.935 -3.218 1.00 0.00 S ATOM 0 H CYS A 99 17.403 13.198 -6.838 1.00 0.00 H new ATOM 0 HA CYS A 99 17.716 13.730 -4.091 1.00 0.00 H new ATOM 0 HB2 CYS A 99 15.813 12.595 -5.518 1.00 0.00 H new ATOM 0 HB3 CYS A 99 16.724 11.125 -5.239 1.00 0.00 H new ATOM 1238 N SER A 100 18.941 11.570 -3.162 1.00 0.00 N ATOM 1239 CA SER A 100 20.022 10.788 -2.575 1.00 0.00 C ATOM 1240 C SER A 100 20.344 9.531 -3.402 1.00 0.00 C ATOM 1241 O SER A 100 21.500 9.121 -3.492 1.00 0.00 O ATOM 1242 CB SER A 100 19.660 10.403 -1.134 1.00 0.00 C ATOM 1243 OG SER A 100 20.790 9.937 -0.419 1.00 0.00 O ATOM 0 H SER A 100 18.144 11.707 -2.540 1.00 0.00 H new ATOM 0 HA SER A 100 20.919 11.408 -2.573 1.00 0.00 H new ATOM 0 HB2 SER A 100 19.235 11.267 -0.622 1.00 0.00 H new ATOM 0 HB3 SER A 100 18.892 9.630 -1.145 1.00 0.00 H new ATOM 0 HG SER A 100 20.525 9.702 0.495 1.00 0.00 H new ATOM 1249 N CYS A 101 19.331 8.947 -4.015 1.00 0.00 N ATOM 1250 CA CYS A 101 19.501 7.721 -4.784 1.00 0.00 C ATOM 1251 C CYS A 101 20.067 7.991 -6.180 1.00 0.00 C ATOM 1252 O CYS A 101 20.920 7.246 -6.658 1.00 0.00 O ATOM 1253 CB CYS A 101 18.169 7.026 -4.901 1.00 0.00 C ATOM 1254 SG CYS A 101 16.881 8.119 -5.482 1.00 0.00 S ATOM 0 H CYS A 101 18.375 9.302 -3.997 1.00 0.00 H new ATOM 0 HA CYS A 101 20.217 7.089 -4.259 1.00 0.00 H new ATOM 0 HB2 CYS A 101 18.261 6.182 -5.584 1.00 0.00 H new ATOM 0 HB3 CYS A 101 17.887 6.620 -3.929 1.00 0.00 H new ATOM 1259 N LYS A 102 19.579 9.049 -6.826 1.00 0.00 N ATOM 1260 CA LYS A 102 20.025 9.414 -8.174 1.00 0.00 C ATOM 1261 C LYS A 102 21.489 9.844 -8.178 1.00 0.00 C ATOM 1262 O LYS A 102 22.344 9.001 -8.542 1.00 0.00 O ATOM 1263 CB LYS A 102 19.151 10.534 -8.751 1.00 0.00 C ATOM 1264 CG LYS A 102 17.916 10.066 -9.546 1.00 0.00 C ATOM 1265 CD LYS A 102 18.281 9.417 -10.900 1.00 0.00 C ATOM 1266 CE LYS A 102 19.262 10.278 -11.692 1.00 0.00 C ATOM 1267 NZ LYS A 102 19.665 9.636 -12.966 1.00 0.00 N ATOM 0 H LYS A 102 18.871 9.672 -6.437 1.00 0.00 H new ATOM 0 HA LYS A 102 19.926 8.528 -8.801 1.00 0.00 H new ATOM 0 HB2 LYS A 102 18.815 11.169 -7.931 1.00 0.00 H new ATOM 0 HB3 LYS A 102 19.767 11.154 -9.402 1.00 0.00 H new ATOM 0 HG2 LYS A 102 17.354 9.350 -8.946 1.00 0.00 H new ATOM 0 HG3 LYS A 102 17.260 10.918 -9.723 1.00 0.00 H new ATOM 0 HD2 LYS A 102 18.718 8.434 -10.726 1.00 0.00 H new ATOM 0 HD3 LYS A 102 17.375 9.264 -11.486 1.00 0.00 H new ATOM 0 HE2 LYS A 102 18.806 11.246 -11.902 1.00 0.00 H new ATOM 0 HE3 LYS A 102 20.148 10.468 -11.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 20.040 10.357 -13.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 20.399 8.924 -12.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 18.839 9.176 -13.400 1.00 0.00 H new TER 1281 LYS A 102 HETATM 1282 CD CD A 201 13.630 7.798 -8.177 1.00 0.00 CD HETATM 1283 CD CD A 202 11.562 7.034 -5.759 1.00 0.00 CD HETATM 1284 CD CD A 203 14.837 9.409 -4.264 1.00 0.00 CD HETATM 1285 CD CD A 204 7.398 17.336 -15.549 1.00 0.00 CD HETATM 1286 CD CD A 205 9.682 20.065 -13.440 1.00 0.00 CD HETATM 1287 CD CD A 206 10.701 19.042 -17.386 1.00 0.00 CD HETATM 1288 CD CD A 207 9.015 24.088 4.301 1.00 0.00 CD HETATM 1289 CD CD A 208 6.483 26.173 1.859 1.00 0.00 CD HETATM 1290 CD CD A 209 7.871 22.374 0.757 1.00 0.00 CD