USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 585 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 1 MET CE :methyl -145:sc= -0.165 (180deg=-0.922) USER MOD Set 1.2: A 74 GLN : amide:sc= 0 X(o=-0.16,f=-0.53) USER MOD Single : A 1 MET N :NH3+ -134:sc= -0.384 (180deg=-3.06!) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -164:sc= -0.0177 (180deg=-0.271) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 39 MET CE :methyl -157:sc= -0.464 (180deg=-1.24) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.47! USER MOD Single : A 42 LYS NZ :NH3+ 161:sc= -0.0528 (180deg=-0.426) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -163:sc= -0.0223 (180deg=-0.329) USER MOD Single : A 49 SER OG : rot 39:sc= -0.406! USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= -0.0242 (180deg=-0.41) USER MOD Single : A 57 LYS NZ :NH3+ 160:sc= -0.0641 (180deg=-0.492) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -3.83 K(o=-3.8,f=-8.6!) USER MOD Single : A 70 SER OG : rot -13:sc= 0.681 USER MOD Single : A 71 THR OG1 : rot 38:sc= 0.514 USER MOD Single : A 77 THR OG1 : rot -15:sc= 0.826 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 73.271 0.910 -10.659 1.00 0.00 N ATOM 2 CA MET A 1 71.952 0.245 -10.454 1.00 0.00 C ATOM 3 C MET A 1 72.169 -1.212 -10.076 1.00 0.00 C ATOM 4 O MET A 1 72.979 -1.909 -10.685 1.00 0.00 O ATOM 5 CB MET A 1 71.137 0.327 -11.747 1.00 0.00 C ATOM 6 CG MET A 1 70.793 1.784 -12.052 1.00 0.00 C ATOM 7 SD MET A 1 69.685 2.443 -10.777 1.00 0.00 S ATOM 8 CE MET A 1 68.209 1.485 -11.206 1.00 0.00 C ATOM 0 H1 MET A 1 73.276 1.828 -10.171 1.00 0.00 H new ATOM 0 H2 MET A 1 74.027 0.309 -10.273 1.00 0.00 H new ATOM 0 H3 MET A 1 73.431 1.057 -11.676 1.00 0.00 H new ATOM 0 HA MET A 1 71.411 0.747 -9.652 1.00 0.00 H new ATOM 0 HB2 MET A 1 71.704 -0.103 -12.573 1.00 0.00 H new ATOM 0 HB3 MET A 1 70.223 -0.259 -11.649 1.00 0.00 H new ATOM 0 HG2 MET A 1 71.705 2.380 -12.095 1.00 0.00 H new ATOM 0 HG3 MET A 1 70.318 1.856 -13.030 1.00 0.00 H new ATOM 0 HE1 MET A 1 67.319 2.091 -11.035 1.00 0.00 H new ATOM 0 HE2 MET A 1 68.255 1.196 -12.256 1.00 0.00 H new ATOM 0 HE3 MET A 1 68.163 0.590 -10.585 1.00 0.00 H new ATOM 20 N TYR A 2 71.428 -1.668 -9.070 1.00 0.00 N ATOM 21 CA TYR A 2 71.535 -3.056 -8.616 1.00 0.00 C ATOM 22 C TYR A 2 70.188 -3.551 -8.096 1.00 0.00 C ATOM 23 O TYR A 2 69.395 -2.781 -7.554 1.00 0.00 O ATOM 24 CB TYR A 2 72.608 -3.170 -7.517 1.00 0.00 C ATOM 25 CG TYR A 2 73.207 -4.572 -7.505 1.00 0.00 C ATOM 26 CD1 TYR A 2 72.489 -5.645 -6.955 1.00 0.00 C ATOM 27 CD2 TYR A 2 74.485 -4.799 -8.045 1.00 0.00 C ATOM 28 CE1 TYR A 2 73.042 -6.931 -6.944 1.00 0.00 C ATOM 29 CE2 TYR A 2 75.035 -6.087 -8.030 1.00 0.00 C ATOM 30 CZ TYR A 2 74.314 -7.151 -7.481 1.00 0.00 C ATOM 31 OH TYR A 2 74.857 -8.420 -7.466 1.00 0.00 O ATOM 0 H TYR A 2 70.751 -1.104 -8.556 1.00 0.00 H new ATOM 0 HA TYR A 2 71.829 -3.680 -9.460 1.00 0.00 H new ATOM 0 HB2 TYR A 2 73.393 -2.433 -7.688 1.00 0.00 H new ATOM 0 HB3 TYR A 2 72.168 -2.947 -6.545 1.00 0.00 H new ATOM 0 HD1 TYR A 2 71.506 -5.478 -6.539 1.00 0.00 H new ATOM 0 HD2 TYR A 2 75.043 -3.979 -8.472 1.00 0.00 H new ATOM 0 HE1 TYR A 2 72.486 -7.754 -6.520 1.00 0.00 H new ATOM 0 HE2 TYR A 2 76.018 -6.258 -8.443 1.00 0.00 H new ATOM 0 HH TYR A 2 75.746 -8.400 -7.878 1.00 0.00 H new ATOM 41 N GLU A 3 69.941 -4.847 -8.276 1.00 0.00 N ATOM 42 CA GLU A 3 68.690 -5.471 -7.838 1.00 0.00 C ATOM 43 C GLU A 3 68.988 -6.680 -6.959 1.00 0.00 C ATOM 44 O GLU A 3 69.899 -7.456 -7.251 1.00 0.00 O ATOM 45 CB GLU A 3 67.883 -5.913 -9.065 1.00 0.00 C ATOM 46 CG GLU A 3 67.252 -4.687 -9.740 1.00 0.00 C ATOM 47 CD GLU A 3 66.025 -4.237 -8.957 1.00 0.00 C ATOM 48 OE1 GLU A 3 65.161 -5.066 -8.721 1.00 0.00 O ATOM 49 OE2 GLU A 3 65.963 -3.074 -8.608 1.00 0.00 O ATOM 0 H GLU A 3 70.593 -5.490 -8.725 1.00 0.00 H new ATOM 0 HA GLU A 3 68.113 -4.748 -7.262 1.00 0.00 H new ATOM 0 HB2 GLU A 3 68.531 -6.435 -9.770 1.00 0.00 H new ATOM 0 HB3 GLU A 3 67.105 -6.616 -8.767 1.00 0.00 H new ATOM 0 HG2 GLU A 3 67.978 -3.876 -9.792 1.00 0.00 H new ATOM 0 HG3 GLU A 3 66.971 -4.930 -10.765 1.00 0.00 H new ATOM 56 N PHE A 4 68.218 -6.840 -5.879 1.00 0.00 N ATOM 57 CA PHE A 4 68.411 -7.968 -4.958 1.00 0.00 C ATOM 58 C PHE A 4 67.286 -8.987 -5.115 1.00 0.00 C ATOM 59 O PHE A 4 66.128 -8.714 -4.803 1.00 0.00 O ATOM 60 CB PHE A 4 68.487 -7.444 -3.502 1.00 0.00 C ATOM 61 CG PHE A 4 68.174 -8.537 -2.478 1.00 0.00 C ATOM 62 CD1 PHE A 4 68.899 -9.744 -2.460 1.00 0.00 C ATOM 63 CD2 PHE A 4 67.147 -8.336 -1.533 1.00 0.00 C ATOM 64 CE1 PHE A 4 68.596 -10.731 -1.516 1.00 0.00 C ATOM 65 CE2 PHE A 4 66.852 -9.327 -0.590 1.00 0.00 C ATOM 66 CZ PHE A 4 67.575 -10.523 -0.582 1.00 0.00 C ATOM 0 H PHE A 4 67.460 -6.209 -5.620 1.00 0.00 H new ATOM 0 HA PHE A 4 69.349 -8.469 -5.198 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.484 -7.045 -3.313 1.00 0.00 H new ATOM 0 HB3 PHE A 4 67.785 -6.620 -3.377 1.00 0.00 H new ATOM 0 HD1 PHE A 4 69.690 -9.908 -3.176 1.00 0.00 H new ATOM 0 HD2 PHE A 4 66.586 -7.413 -1.537 1.00 0.00 H new ATOM 0 HE1 PHE A 4 69.152 -11.657 -1.508 1.00 0.00 H new ATOM 0 HE2 PHE A 4 66.065 -9.167 0.132 1.00 0.00 H new ATOM 0 HZ PHE A 4 67.345 -11.287 0.146 1.00 0.00 H new ATOM 76 N LYS A 5 67.656 -10.172 -5.597 1.00 0.00 N ATOM 77 CA LYS A 5 66.706 -11.267 -5.797 1.00 0.00 C ATOM 78 C LYS A 5 67.126 -12.455 -4.944 1.00 0.00 C ATOM 79 O LYS A 5 68.173 -13.050 -5.190 1.00 0.00 O ATOM 80 CB LYS A 5 66.690 -11.682 -7.271 1.00 0.00 C ATOM 81 CG LYS A 5 66.099 -10.552 -8.114 1.00 0.00 C ATOM 82 CD LYS A 5 66.092 -10.966 -9.588 1.00 0.00 C ATOM 83 CE LYS A 5 65.492 -9.840 -10.429 1.00 0.00 C ATOM 84 NZ LYS A 5 65.475 -10.244 -11.864 1.00 0.00 N ATOM 0 H LYS A 5 68.615 -10.400 -5.858 1.00 0.00 H new ATOM 0 HA LYS A 5 65.709 -10.936 -5.508 1.00 0.00 H new ATOM 0 HB2 LYS A 5 67.702 -11.909 -7.607 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.101 -12.590 -7.397 1.00 0.00 H new ATOM 0 HG2 LYS A 5 65.085 -10.329 -7.783 1.00 0.00 H new ATOM 0 HG3 LYS A 5 66.684 -9.642 -7.983 1.00 0.00 H new ATOM 0 HD2 LYS A 5 67.107 -11.182 -9.921 1.00 0.00 H new ATOM 0 HD3 LYS A 5 65.512 -11.880 -9.718 1.00 0.00 H new ATOM 0 HE2 LYS A 5 64.480 -9.619 -10.091 1.00 0.00 H new ATOM 0 HE3 LYS A 5 66.076 -8.928 -10.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 65.067 -9.477 -12.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 66.447 -10.434 -12.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 64.900 -11.103 -11.976 1.00 0.00 H new ATOM 98 N LEU A 6 66.315 -12.783 -3.935 1.00 0.00 N ATOM 99 CA LEU A 6 66.631 -13.904 -3.030 1.00 0.00 C ATOM 100 C LEU A 6 67.310 -15.048 -3.807 1.00 0.00 C ATOM 101 O LEU A 6 66.626 -15.825 -4.472 1.00 0.00 O ATOM 102 CB LEU A 6 65.353 -14.440 -2.350 1.00 0.00 C ATOM 103 CG LEU A 6 65.719 -15.198 -1.063 1.00 0.00 C ATOM 104 CD1 LEU A 6 64.438 -15.626 -0.346 1.00 0.00 C ATOM 105 CD2 LEU A 6 66.562 -16.443 -1.400 1.00 0.00 C ATOM 0 H LEU A 6 65.443 -12.298 -3.721 1.00 0.00 H new ATOM 0 HA LEU A 6 67.311 -13.531 -2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 6 64.682 -13.614 -2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 6 64.819 -15.102 -3.032 1.00 0.00 H new ATOM 0 HG LEU A 6 66.302 -14.542 -0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 6 64.694 -16.164 0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 6 63.850 -14.744 -0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 6 63.856 -16.276 -0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 6 66.815 -16.971 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 6 65.991 -17.103 -2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 6 67.478 -16.136 -1.906 1.00 0.00 H new ATOM 117 N PRO A 7 68.625 -15.167 -3.756 1.00 0.00 N ATOM 118 CA PRO A 7 69.345 -16.240 -4.503 1.00 0.00 C ATOM 119 C PRO A 7 69.271 -17.587 -3.786 1.00 0.00 C ATOM 120 O PRO A 7 69.108 -17.642 -2.566 1.00 0.00 O ATOM 121 CB PRO A 7 70.782 -15.715 -4.572 1.00 0.00 C ATOM 122 CG PRO A 7 70.954 -14.912 -3.322 1.00 0.00 C ATOM 123 CD PRO A 7 69.572 -14.324 -2.989 1.00 0.00 C ATOM 0 HA PRO A 7 68.912 -16.431 -5.485 1.00 0.00 H new ATOM 0 HB2 PRO A 7 71.501 -16.533 -4.619 1.00 0.00 H new ATOM 0 HB3 PRO A 7 70.938 -15.103 -5.460 1.00 0.00 H new ATOM 0 HG2 PRO A 7 71.317 -15.537 -2.506 1.00 0.00 H new ATOM 0 HG3 PRO A 7 71.688 -14.120 -3.468 1.00 0.00 H new ATOM 0 HD2 PRO A 7 69.368 -14.368 -1.919 1.00 0.00 H new ATOM 0 HD3 PRO A 7 69.503 -13.277 -3.284 1.00 0.00 H new ATOM 221 N GLU A 15 60.064 -20.800 -1.317 1.00 0.00 N ATOM 222 CA GLU A 15 59.109 -19.719 -1.059 1.00 0.00 C ATOM 223 C GLU A 15 59.776 -18.605 -0.264 1.00 0.00 C ATOM 224 O GLU A 15 60.628 -18.862 0.587 1.00 0.00 O ATOM 225 CB GLU A 15 57.890 -20.266 -0.305 1.00 0.00 C ATOM 226 CG GLU A 15 56.853 -19.159 -0.095 1.00 0.00 C ATOM 227 CD GLU A 15 56.271 -18.722 -1.434 1.00 0.00 C ATOM 228 OE1 GLU A 15 56.370 -19.486 -2.381 1.00 0.00 O ATOM 229 OE2 GLU A 15 55.730 -17.631 -1.494 1.00 0.00 O ATOM 0 HA GLU A 15 58.773 -19.307 -2.011 1.00 0.00 H new ATOM 0 HB2 GLU A 15 57.446 -21.088 -0.866 1.00 0.00 H new ATOM 0 HB3 GLU A 15 58.201 -20.670 0.659 1.00 0.00 H new ATOM 0 HG2 GLU A 15 56.056 -19.516 0.557 1.00 0.00 H new ATOM 0 HG3 GLU A 15 57.315 -18.307 0.404 1.00 0.00 H new ATOM 236 N GLY A 16 59.389 -17.358 -0.552 1.00 0.00 N ATOM 237 CA GLY A 16 59.965 -16.206 0.137 1.00 0.00 C ATOM 238 C GLY A 16 58.964 -15.581 1.104 1.00 0.00 C ATOM 239 O GLY A 16 57.980 -14.973 0.682 1.00 0.00 O ATOM 0 H GLY A 16 58.685 -17.125 -1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 16 60.857 -16.514 0.682 1.00 0.00 H new ATOM 0 HA3 GLY A 16 60.280 -15.462 -0.595 1.00 0.00 H new ATOM 243 N GLU A 17 59.230 -15.712 2.407 1.00 0.00 N ATOM 244 CA GLU A 17 58.362 -15.138 3.434 1.00 0.00 C ATOM 245 C GLU A 17 59.175 -14.172 4.283 1.00 0.00 C ATOM 246 O GLU A 17 60.270 -14.503 4.736 1.00 0.00 O ATOM 247 CB GLU A 17 57.783 -16.247 4.314 1.00 0.00 C ATOM 248 CG GLU A 17 56.819 -15.642 5.337 1.00 0.00 C ATOM 249 CD GLU A 17 56.155 -16.755 6.142 1.00 0.00 C ATOM 250 OE1 GLU A 17 56.622 -17.879 6.058 1.00 0.00 O ATOM 251 OE2 GLU A 17 55.188 -16.467 6.827 1.00 0.00 O ATOM 0 H GLU A 17 60.040 -16.211 2.774 1.00 0.00 H new ATOM 0 HA GLU A 17 57.537 -14.607 2.960 1.00 0.00 H new ATOM 0 HB2 GLU A 17 57.262 -16.979 3.697 1.00 0.00 H new ATOM 0 HB3 GLU A 17 58.587 -16.776 4.826 1.00 0.00 H new ATOM 0 HG2 GLU A 17 57.358 -14.969 6.005 1.00 0.00 H new ATOM 0 HG3 GLU A 17 56.061 -15.047 4.828 1.00 0.00 H new ATOM 258 N ILE A 18 58.653 -12.966 4.469 1.00 0.00 N ATOM 259 CA ILE A 18 59.359 -11.936 5.237 1.00 0.00 C ATOM 260 C ILE A 18 58.783 -11.797 6.643 1.00 0.00 C ATOM 261 O ILE A 18 57.611 -11.466 6.814 1.00 0.00 O ATOM 262 CB ILE A 18 59.250 -10.589 4.512 1.00 0.00 C ATOM 263 CG1 ILE A 18 59.552 -10.751 3.000 1.00 0.00 C ATOM 264 CG2 ILE A 18 60.232 -9.590 5.123 1.00 0.00 C ATOM 265 CD1 ILE A 18 61.062 -10.900 2.739 1.00 0.00 C ATOM 0 H ILE A 18 57.747 -12.673 4.102 1.00 0.00 H new ATOM 0 HA ILE A 18 60.404 -12.236 5.321 1.00 0.00 H new ATOM 0 HB ILE A 18 58.231 -10.220 4.627 1.00 0.00 H new ATOM 0 HG12 ILE A 18 59.027 -11.625 2.615 1.00 0.00 H new ATOM 0 HG13 ILE A 18 59.171 -9.886 2.457 1.00 0.00 H new ATOM 0 HG21 ILE A 18 60.150 -8.635 4.604 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.999 -9.450 6.179 1.00 0.00 H new ATOM 0 HG23 ILE A 18 61.248 -9.971 5.023 1.00 0.00 H new ATOM 0 HD11 ILE A 18 61.237 -11.011 1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 18 61.583 -10.014 3.102 1.00 0.00 H new ATOM 0 HD13 ILE A 18 61.436 -11.780 3.261 1.00 0.00 H new ATOM 277 N VAL A 19 59.625 -12.053 7.650 1.00 0.00 N ATOM 278 CA VAL A 19 59.200 -11.959 9.046 1.00 0.00 C ATOM 279 C VAL A 19 59.572 -10.605 9.666 1.00 0.00 C ATOM 280 O VAL A 19 58.743 -9.978 10.325 1.00 0.00 O ATOM 281 CB VAL A 19 59.840 -13.093 9.853 1.00 0.00 C ATOM 282 CG1 VAL A 19 61.335 -12.823 10.042 1.00 0.00 C ATOM 283 CG2 VAL A 19 59.154 -13.203 11.219 1.00 0.00 C ATOM 0 H VAL A 19 60.600 -12.325 7.523 1.00 0.00 H new ATOM 0 HA VAL A 19 58.114 -12.048 9.073 1.00 0.00 H new ATOM 0 HB VAL A 19 59.717 -14.031 9.311 1.00 0.00 H new ATOM 0 HG11 VAL A 19 61.781 -13.634 10.617 1.00 0.00 H new ATOM 0 HG12 VAL A 19 61.819 -12.759 9.068 1.00 0.00 H new ATOM 0 HG13 VAL A 19 61.470 -11.883 10.576 1.00 0.00 H new ATOM 0 HG21 VAL A 19 59.611 -14.010 11.792 1.00 0.00 H new ATOM 0 HG22 VAL A 19 59.269 -12.264 11.760 1.00 0.00 H new ATOM 0 HG23 VAL A 19 58.094 -13.413 11.078 1.00 0.00 H new ATOM 293 N ARG A 20 60.823 -10.158 9.477 1.00 0.00 N ATOM 294 CA ARG A 20 61.268 -8.878 10.060 1.00 0.00 C ATOM 295 C ARG A 20 62.189 -8.094 9.118 1.00 0.00 C ATOM 296 O ARG A 20 63.001 -8.672 8.397 1.00 0.00 O ATOM 297 CB ARG A 20 62.010 -9.140 11.374 1.00 0.00 C ATOM 298 CG ARG A 20 61.019 -9.585 12.453 1.00 0.00 C ATOM 299 CD ARG A 20 61.787 -9.970 13.719 1.00 0.00 C ATOM 300 NE ARG A 20 62.495 -8.810 14.250 1.00 0.00 N ATOM 301 CZ ARG A 20 63.310 -8.921 15.294 1.00 0.00 C ATOM 302 NH1 ARG A 20 63.461 -10.076 15.883 1.00 0.00 N ATOM 303 NH2 ARG A 20 63.951 -7.874 15.735 1.00 0.00 N ATOM 0 H ARG A 20 61.534 -10.651 8.936 1.00 0.00 H new ATOM 0 HA ARG A 20 60.375 -8.277 10.233 1.00 0.00 H new ATOM 0 HB2 ARG A 20 62.769 -9.908 11.226 1.00 0.00 H new ATOM 0 HB3 ARG A 20 62.529 -8.237 11.695 1.00 0.00 H new ATOM 0 HG2 ARG A 20 60.316 -8.781 12.671 1.00 0.00 H new ATOM 0 HG3 ARG A 20 60.433 -10.433 12.097 1.00 0.00 H new ATOM 0 HD2 ARG A 20 61.097 -10.358 14.468 1.00 0.00 H new ATOM 0 HD3 ARG A 20 62.496 -10.767 13.495 1.00 0.00 H new ATOM 0 HE ARG A 20 62.362 -7.898 13.812 1.00 0.00 H new ATOM 0 HH11 ARG A 20 62.954 -10.893 15.542 1.00 0.00 H new ATOM 0 HH12 ARG A 20 64.086 -10.162 16.684 1.00 0.00 H new ATOM 0 HH21 ARG A 20 63.827 -6.970 15.279 1.00 0.00 H new ATOM 0 HH22 ARG A 20 64.576 -7.959 16.536 1.00 0.00 H new ATOM 317 N TRP A 21 62.068 -6.762 9.171 1.00 0.00 N ATOM 318 CA TRP A 21 62.905 -5.859 8.362 1.00 0.00 C ATOM 319 C TRP A 21 63.754 -4.991 9.304 1.00 0.00 C ATOM 320 O TRP A 21 63.256 -4.523 10.328 1.00 0.00 O ATOM 321 CB TRP A 21 62.033 -4.922 7.496 1.00 0.00 C ATOM 322 CG TRP A 21 61.618 -5.561 6.205 1.00 0.00 C ATOM 323 CD1 TRP A 21 60.330 -5.782 5.853 1.00 0.00 C ATOM 324 CD2 TRP A 21 62.433 -6.023 5.071 1.00 0.00 C ATOM 325 NE1 TRP A 21 60.295 -6.348 4.597 1.00 0.00 N ATOM 326 CE2 TRP A 21 61.560 -6.521 4.074 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.823 -6.068 4.808 1.00 0.00 C ATOM 328 CZ2 TRP A 21 62.037 -7.037 2.869 1.00 0.00 C ATOM 329 CZ3 TRP A 21 64.303 -6.589 3.590 1.00 0.00 C ATOM 330 CH2 TRP A 21 63.411 -7.071 2.626 1.00 0.00 C ATOM 0 H TRP A 21 61.396 -6.281 9.768 1.00 0.00 H new ATOM 0 HA TRP A 21 63.534 -6.464 7.709 1.00 0.00 H new ATOM 0 HB2 TRP A 21 61.145 -4.634 8.058 1.00 0.00 H new ATOM 0 HB3 TRP A 21 62.587 -4.007 7.284 1.00 0.00 H new ATOM 0 HD1 TRP A 21 59.467 -5.551 6.460 1.00 0.00 H new ATOM 0 HE1 TRP A 21 59.436 -6.608 4.112 1.00 0.00 H new ATOM 0 HE3 TRP A 21 64.521 -5.700 5.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 61.346 -7.409 2.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 65.366 -6.616 3.399 1.00 0.00 H new ATOM 0 HH2 TRP A 21 63.785 -7.469 1.694 1.00 0.00 H new ATOM 341 N ASP A 22 65.023 -4.764 8.954 1.00 0.00 N ATOM 342 CA ASP A 22 65.912 -3.932 9.783 1.00 0.00 C ATOM 343 C ASP A 22 66.194 -2.579 9.122 1.00 0.00 C ATOM 344 O ASP A 22 66.995 -1.793 9.629 1.00 0.00 O ATOM 345 CB ASP A 22 67.229 -4.668 10.042 1.00 0.00 C ATOM 346 CG ASP A 22 67.733 -5.321 8.760 1.00 0.00 C ATOM 347 OD1 ASP A 22 67.056 -5.209 7.750 1.00 0.00 O ATOM 348 OD2 ASP A 22 68.794 -5.921 8.804 1.00 0.00 O ATOM 0 H ASP A 22 65.459 -5.139 8.111 1.00 0.00 H new ATOM 0 HA ASP A 22 65.406 -3.745 10.730 1.00 0.00 H new ATOM 0 HB2 ASP A 22 67.975 -3.969 10.420 1.00 0.00 H new ATOM 0 HB3 ASP A 22 67.084 -5.426 10.811 1.00 0.00 H new ATOM 353 N VAL A 23 65.538 -2.313 7.995 1.00 0.00 N ATOM 354 CA VAL A 23 65.726 -1.049 7.271 1.00 0.00 C ATOM 355 C VAL A 23 64.376 -0.456 6.868 1.00 0.00 C ATOM 356 O VAL A 23 63.382 -1.176 6.757 1.00 0.00 O ATOM 357 CB VAL A 23 66.585 -1.294 6.023 1.00 0.00 C ATOM 358 CG1 VAL A 23 67.803 -2.143 6.405 1.00 0.00 C ATOM 359 CG2 VAL A 23 65.763 -2.043 4.961 1.00 0.00 C ATOM 0 H VAL A 23 64.872 -2.952 7.560 1.00 0.00 H new ATOM 0 HA VAL A 23 66.232 -0.340 7.926 1.00 0.00 H new ATOM 0 HB VAL A 23 66.911 -0.336 5.619 1.00 0.00 H new ATOM 0 HG11 VAL A 23 68.416 -2.319 5.521 1.00 0.00 H new ATOM 0 HG12 VAL A 23 68.392 -1.617 7.156 1.00 0.00 H new ATOM 0 HG13 VAL A 23 67.468 -3.098 6.810 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.379 -2.214 4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 23 65.434 -3.001 5.364 1.00 0.00 H new ATOM 0 HG23 VAL A 23 64.893 -1.446 4.687 1.00 0.00 H new ATOM 369 N LYS A 24 64.347 0.860 6.640 1.00 0.00 N ATOM 370 CA LYS A 24 63.113 1.545 6.238 1.00 0.00 C ATOM 371 C LYS A 24 63.366 2.432 5.024 1.00 0.00 C ATOM 372 O LYS A 24 64.440 3.016 4.882 1.00 0.00 O ATOM 373 CB LYS A 24 62.592 2.405 7.391 1.00 0.00 C ATOM 374 CG LYS A 24 62.131 1.506 8.540 1.00 0.00 C ATOM 375 CD LYS A 24 61.590 2.377 9.677 1.00 0.00 C ATOM 376 CE LYS A 24 61.144 1.487 10.839 1.00 0.00 C ATOM 377 NZ LYS A 24 59.936 0.715 10.434 1.00 0.00 N ATOM 0 H LYS A 24 65.159 1.471 6.726 1.00 0.00 H new ATOM 0 HA LYS A 24 62.370 0.790 5.980 1.00 0.00 H new ATOM 0 HB2 LYS A 24 63.375 3.080 7.737 1.00 0.00 H new ATOM 0 HB3 LYS A 24 61.764 3.026 7.048 1.00 0.00 H new ATOM 0 HG2 LYS A 24 61.359 0.820 8.193 1.00 0.00 H new ATOM 0 HG3 LYS A 24 62.962 0.897 8.896 1.00 0.00 H new ATOM 0 HD2 LYS A 24 62.359 3.073 10.013 1.00 0.00 H new ATOM 0 HD3 LYS A 24 60.751 2.976 9.322 1.00 0.00 H new ATOM 0 HE2 LYS A 24 61.948 0.806 11.119 1.00 0.00 H new ATOM 0 HE3 LYS A 24 60.923 2.097 11.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 59.474 0.325 11.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 59.273 1.343 9.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 60.216 -0.063 9.803 1.00 0.00 H new ATOM 391 N GLU A 25 62.368 2.526 4.150 1.00 0.00 N ATOM 392 CA GLU A 25 62.492 3.342 2.946 1.00 0.00 C ATOM 393 C GLU A 25 62.717 4.813 3.296 1.00 0.00 C ATOM 394 O GLU A 25 62.088 5.349 4.208 1.00 0.00 O ATOM 395 CB GLU A 25 61.236 3.191 2.082 1.00 0.00 C ATOM 396 CG GLU A 25 60.005 3.663 2.859 1.00 0.00 C ATOM 397 CD GLU A 25 58.755 3.480 2.005 1.00 0.00 C ATOM 398 OE1 GLU A 25 58.901 3.165 0.836 1.00 0.00 O ATOM 399 OE2 GLU A 25 57.668 3.660 2.532 1.00 0.00 O ATOM 0 H GLU A 25 61.471 2.051 4.251 1.00 0.00 H new ATOM 0 HA GLU A 25 63.359 2.993 2.385 1.00 0.00 H new ATOM 0 HB2 GLU A 25 61.343 3.772 1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 25 61.112 2.149 1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 25 59.910 3.097 3.786 1.00 0.00 H new ATOM 0 HG3 GLU A 25 60.118 4.711 3.135 1.00 0.00 H new ATOM 406 N GLY A 26 63.620 5.461 2.555 1.00 0.00 N ATOM 407 CA GLY A 26 63.924 6.874 2.784 1.00 0.00 C ATOM 408 C GLY A 26 65.078 7.057 3.772 1.00 0.00 C ATOM 409 O GLY A 26 65.359 8.177 4.200 1.00 0.00 O ATOM 0 H GLY A 26 64.150 5.032 1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 26 64.179 7.349 1.836 1.00 0.00 H new ATOM 0 HA3 GLY A 26 63.036 7.379 3.165 1.00 0.00 H new ATOM 413 N ASP A 27 65.736 5.956 4.144 1.00 0.00 N ATOM 414 CA ASP A 27 66.850 6.014 5.102 1.00 0.00 C ATOM 415 C ASP A 27 68.158 5.552 4.463 1.00 0.00 C ATOM 416 O ASP A 27 68.194 4.544 3.757 1.00 0.00 O ATOM 417 CB ASP A 27 66.534 5.122 6.304 1.00 0.00 C ATOM 418 CG ASP A 27 67.640 5.226 7.348 1.00 0.00 C ATOM 419 OD1 ASP A 27 68.641 5.862 7.062 1.00 0.00 O ATOM 420 OD2 ASP A 27 67.467 4.670 8.419 1.00 0.00 O ATOM 0 H ASP A 27 65.521 5.020 3.801 1.00 0.00 H new ATOM 0 HA ASP A 27 66.971 7.050 5.420 1.00 0.00 H new ATOM 0 HB2 ASP A 27 65.581 5.417 6.744 1.00 0.00 H new ATOM 0 HB3 ASP A 27 66.428 4.087 5.979 1.00 0.00 H new ATOM 425 N MET A 28 69.235 6.295 4.725 1.00 0.00 N ATOM 426 CA MET A 28 70.552 5.952 4.187 1.00 0.00 C ATOM 427 C MET A 28 71.294 5.043 5.161 1.00 0.00 C ATOM 428 O MET A 28 71.358 5.326 6.357 1.00 0.00 O ATOM 429 CB MET A 28 71.370 7.227 3.949 1.00 0.00 C ATOM 430 CG MET A 28 70.591 8.183 3.038 1.00 0.00 C ATOM 431 SD MET A 28 69.395 9.119 4.022 1.00 0.00 S ATOM 432 CE MET A 28 68.756 10.146 2.676 1.00 0.00 C ATOM 0 H MET A 28 69.221 7.135 5.304 1.00 0.00 H new ATOM 0 HA MET A 28 70.418 5.429 3.240 1.00 0.00 H new ATOM 0 HB2 MET A 28 71.587 7.713 4.900 1.00 0.00 H new ATOM 0 HB3 MET A 28 72.328 6.976 3.493 1.00 0.00 H new ATOM 0 HG2 MET A 28 71.278 8.865 2.537 1.00 0.00 H new ATOM 0 HG3 MET A 28 70.076 7.621 2.259 1.00 0.00 H new ATOM 0 HE1 MET A 28 67.988 10.816 3.063 1.00 0.00 H new ATOM 0 HE2 MET A 28 69.569 10.734 2.249 1.00 0.00 H new ATOM 0 HE3 MET A 28 68.326 9.508 1.904 1.00 0.00 H new ATOM 442 N VAL A 29 71.854 3.947 4.646 1.00 0.00 N ATOM 443 CA VAL A 29 72.587 2.998 5.492 1.00 0.00 C ATOM 444 C VAL A 29 73.711 2.321 4.698 1.00 0.00 C ATOM 445 O VAL A 29 73.577 2.080 3.499 1.00 0.00 O ATOM 446 CB VAL A 29 71.606 1.941 6.066 1.00 0.00 C ATOM 447 CG1 VAL A 29 71.002 2.442 7.385 1.00 0.00 C ATOM 448 CG2 VAL A 29 70.462 1.695 5.076 1.00 0.00 C ATOM 0 H VAL A 29 71.816 3.694 3.658 1.00 0.00 H new ATOM 0 HA VAL A 29 73.042 3.542 6.320 1.00 0.00 H new ATOM 0 HB VAL A 29 72.160 1.018 6.236 1.00 0.00 H new ATOM 0 HG11 VAL A 29 70.315 1.693 7.779 1.00 0.00 H new ATOM 0 HG12 VAL A 29 71.800 2.618 8.107 1.00 0.00 H new ATOM 0 HG13 VAL A 29 70.461 3.372 7.208 1.00 0.00 H new ATOM 0 HG21 VAL A 29 69.779 0.952 5.487 1.00 0.00 H new ATOM 0 HG22 VAL A 29 69.924 2.627 4.903 1.00 0.00 H new ATOM 0 HG23 VAL A 29 70.869 1.331 4.133 1.00 0.00 H new ATOM 458 N GLU A 30 74.822 2.027 5.381 1.00 0.00 N ATOM 459 CA GLU A 30 75.972 1.380 4.741 1.00 0.00 C ATOM 460 C GLU A 30 75.885 -0.141 4.897 1.00 0.00 C ATOM 461 O GLU A 30 75.164 -0.642 5.759 1.00 0.00 O ATOM 462 CB GLU A 30 77.269 1.893 5.378 1.00 0.00 C ATOM 463 CG GLU A 30 77.438 3.387 5.079 1.00 0.00 C ATOM 464 CD GLU A 30 77.639 3.607 3.584 1.00 0.00 C ATOM 465 OE1 GLU A 30 78.018 2.661 2.912 1.00 0.00 O ATOM 466 OE2 GLU A 30 77.412 4.716 3.132 1.00 0.00 O ATOM 0 H GLU A 30 74.949 2.226 6.373 1.00 0.00 H new ATOM 0 HA GLU A 30 75.967 1.622 3.678 1.00 0.00 H new ATOM 0 HB2 GLU A 30 77.246 1.729 6.455 1.00 0.00 H new ATOM 0 HB3 GLU A 30 78.121 1.336 4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 30 76.559 3.935 5.419 1.00 0.00 H new ATOM 0 HG3 GLU A 30 78.292 3.781 5.630 1.00 0.00 H new ATOM 473 N LYS A 31 76.606 -0.869 4.044 1.00 0.00 N ATOM 474 CA LYS A 31 76.583 -2.334 4.085 1.00 0.00 C ATOM 475 C LYS A 31 76.874 -2.852 5.493 1.00 0.00 C ATOM 476 O LYS A 31 77.856 -2.454 6.117 1.00 0.00 O ATOM 477 CB LYS A 31 77.631 -2.893 3.114 1.00 0.00 C ATOM 478 CG LYS A 31 77.492 -4.420 3.026 1.00 0.00 C ATOM 479 CD LYS A 31 78.570 -5.000 2.098 1.00 0.00 C ATOM 480 CE LYS A 31 78.205 -4.758 0.629 1.00 0.00 C ATOM 481 NZ LYS A 31 79.121 -5.546 -0.243 1.00 0.00 N ATOM 0 H LYS A 31 77.209 -0.474 3.322 1.00 0.00 H new ATOM 0 HA LYS A 31 75.587 -2.666 3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 31 77.500 -2.449 2.127 1.00 0.00 H new ATOM 0 HB3 LYS A 31 78.633 -2.628 3.453 1.00 0.00 H new ATOM 0 HG2 LYS A 31 77.584 -4.858 4.020 1.00 0.00 H new ATOM 0 HG3 LYS A 31 76.502 -4.681 2.652 1.00 0.00 H new ATOM 0 HD2 LYS A 31 79.533 -4.541 2.319 1.00 0.00 H new ATOM 0 HD3 LYS A 31 78.677 -6.069 2.280 1.00 0.00 H new ATOM 0 HE2 LYS A 31 77.171 -5.050 0.447 1.00 0.00 H new ATOM 0 HE3 LYS A 31 78.283 -3.697 0.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 78.876 -5.384 -1.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 80.103 -5.247 -0.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 79.025 -6.558 -0.023 1.00 0.00 H new ATOM 495 N ASP A 32 76.011 -3.756 5.976 1.00 0.00 N ATOM 496 CA ASP A 32 76.166 -4.352 7.303 1.00 0.00 C ATOM 497 C ASP A 32 74.907 -5.126 7.697 1.00 0.00 C ATOM 498 O ASP A 32 73.789 -4.630 7.552 1.00 0.00 O ATOM 499 CB ASP A 32 76.456 -3.264 8.349 1.00 0.00 C ATOM 500 CG ASP A 32 75.614 -2.027 8.056 1.00 0.00 C ATOM 501 OD1 ASP A 32 74.548 -2.183 7.483 1.00 0.00 O ATOM 502 OD2 ASP A 32 76.048 -0.942 8.405 1.00 0.00 O ATOM 0 H ASP A 32 75.196 -4.090 5.462 1.00 0.00 H new ATOM 0 HA ASP A 32 77.007 -5.044 7.268 1.00 0.00 H new ATOM 0 HB2 ASP A 32 76.233 -3.639 9.348 1.00 0.00 H new ATOM 0 HB3 ASP A 32 77.515 -3.006 8.335 1.00 0.00 H new ATOM 507 N GLN A 33 75.105 -6.343 8.198 1.00 0.00 N ATOM 508 CA GLN A 33 73.992 -7.187 8.619 1.00 0.00 C ATOM 509 C GLN A 33 73.296 -6.590 9.836 1.00 0.00 C ATOM 510 O GLN A 33 73.538 -7.019 10.964 1.00 0.00 O ATOM 511 CB GLN A 33 74.512 -8.580 8.985 1.00 0.00 C ATOM 512 CG GLN A 33 73.331 -9.510 9.272 1.00 0.00 C ATOM 513 CD GLN A 33 73.838 -10.907 9.614 1.00 0.00 C ATOM 514 OE1 GLN A 33 74.791 -11.053 10.381 1.00 0.00 O ATOM 515 NE2 GLN A 33 73.258 -11.950 9.087 1.00 0.00 N ATOM 0 H GLN A 33 76.025 -6.766 8.322 1.00 0.00 H new ATOM 0 HA GLN A 33 73.282 -7.254 7.795 1.00 0.00 H new ATOM 0 HB2 GLN A 33 75.113 -8.981 8.169 1.00 0.00 H new ATOM 0 HB3 GLN A 33 75.161 -8.519 9.859 1.00 0.00 H new ATOM 0 HG2 GLN A 33 72.740 -9.116 10.099 1.00 0.00 H new ATOM 0 HG3 GLN A 33 72.674 -9.555 8.404 1.00 0.00 H new ATOM 0 HE21 GLN A 33 72.469 -11.828 8.452 1.00 0.00 H new ATOM 0 HE22 GLN A 33 73.593 -12.887 9.310 1.00 0.00 H new ATOM 524 N ASP A 34 72.433 -5.605 9.618 1.00 0.00 N ATOM 525 CA ASP A 34 71.734 -4.987 10.735 1.00 0.00 C ATOM 526 C ASP A 34 70.838 -6.005 11.428 1.00 0.00 C ATOM 527 O ASP A 34 70.808 -6.067 12.653 1.00 0.00 O ATOM 528 CB ASP A 34 70.910 -3.783 10.267 1.00 0.00 C ATOM 529 CG ASP A 34 70.234 -3.124 11.464 1.00 0.00 C ATOM 530 OD1 ASP A 34 70.347 -3.659 12.554 1.00 0.00 O ATOM 531 OD2 ASP A 34 69.609 -2.092 11.273 1.00 0.00 O ATOM 0 H ASP A 34 72.205 -5.225 8.700 1.00 0.00 H new ATOM 0 HA ASP A 34 72.479 -4.633 11.448 1.00 0.00 H new ATOM 0 HB2 ASP A 34 71.554 -3.064 9.760 1.00 0.00 H new ATOM 0 HB3 ASP A 34 70.159 -4.103 9.544 1.00 0.00 H new ATOM 536 N LEU A 35 70.134 -6.803 10.622 1.00 0.00 N ATOM 537 CA LEU A 35 69.231 -7.857 11.125 1.00 0.00 C ATOM 538 C LEU A 35 68.133 -8.173 10.096 1.00 0.00 C ATOM 539 O LEU A 35 67.025 -7.647 10.189 1.00 0.00 O ATOM 540 CB LEU A 35 68.564 -7.446 12.472 1.00 0.00 C ATOM 541 CG LEU A 35 69.319 -8.073 13.675 1.00 0.00 C ATOM 542 CD1 LEU A 35 69.139 -7.199 14.920 1.00 0.00 C ATOM 543 CD2 LEU A 35 68.762 -9.473 13.966 1.00 0.00 C ATOM 0 H LEU A 35 70.169 -6.742 9.604 1.00 0.00 H new ATOM 0 HA LEU A 35 69.841 -8.745 11.292 1.00 0.00 H new ATOM 0 HB2 LEU A 35 68.561 -6.360 12.565 1.00 0.00 H new ATOM 0 HB3 LEU A 35 67.523 -7.770 12.481 1.00 0.00 H new ATOM 0 HG LEU A 35 70.378 -8.141 13.426 1.00 0.00 H new ATOM 0 HD11 LEU A 35 69.672 -7.647 15.759 1.00 0.00 H new ATOM 0 HD12 LEU A 35 69.538 -6.203 14.726 1.00 0.00 H new ATOM 0 HD13 LEU A 35 68.079 -7.124 15.162 1.00 0.00 H new ATOM 0 HD21 LEU A 35 69.295 -9.908 14.811 1.00 0.00 H new ATOM 0 HD22 LEU A 35 67.701 -9.400 14.205 1.00 0.00 H new ATOM 0 HD23 LEU A 35 68.893 -10.106 13.089 1.00 0.00 H new ATOM 555 N VAL A 36 68.421 -9.070 9.150 1.00 0.00 N ATOM 556 CA VAL A 36 67.424 -9.478 8.153 1.00 0.00 C ATOM 557 C VAL A 36 67.161 -10.968 8.335 1.00 0.00 C ATOM 558 O VAL A 36 68.089 -11.776 8.339 1.00 0.00 O ATOM 559 CB VAL A 36 67.923 -9.164 6.720 1.00 0.00 C ATOM 560 CG1 VAL A 36 69.456 -9.241 6.689 1.00 0.00 C ATOM 561 CG2 VAL A 36 67.341 -10.179 5.715 1.00 0.00 C ATOM 0 H VAL A 36 69.328 -9.526 9.052 1.00 0.00 H new ATOM 0 HA VAL A 36 66.497 -8.922 8.294 1.00 0.00 H new ATOM 0 HB VAL A 36 67.594 -8.163 6.442 1.00 0.00 H new ATOM 0 HG11 VAL A 36 69.811 -9.021 5.682 1.00 0.00 H new ATOM 0 HG12 VAL A 36 69.871 -8.514 7.387 1.00 0.00 H new ATOM 0 HG13 VAL A 36 69.776 -10.243 6.975 1.00 0.00 H new ATOM 0 HG21 VAL A 36 67.700 -9.946 4.713 1.00 0.00 H new ATOM 0 HG22 VAL A 36 67.658 -11.185 5.989 1.00 0.00 H new ATOM 0 HG23 VAL A 36 66.252 -10.125 5.732 1.00 0.00 H new ATOM 571 N GLU A 37 65.891 -11.320 8.501 1.00 0.00 N ATOM 572 CA GLU A 37 65.503 -12.716 8.703 1.00 0.00 C ATOM 573 C GLU A 37 64.535 -13.163 7.614 1.00 0.00 C ATOM 574 O GLU A 37 63.475 -12.567 7.430 1.00 0.00 O ATOM 575 CB GLU A 37 64.831 -12.856 10.071 1.00 0.00 C ATOM 576 CG GLU A 37 64.523 -14.328 10.353 1.00 0.00 C ATOM 577 CD GLU A 37 63.889 -14.466 11.736 1.00 0.00 C ATOM 578 OE1 GLU A 37 63.951 -13.509 12.490 1.00 0.00 O ATOM 579 OE2 GLU A 37 63.344 -15.519 12.015 1.00 0.00 O ATOM 0 H GLU A 37 65.112 -10.661 8.500 1.00 0.00 H new ATOM 0 HA GLU A 37 66.394 -13.343 8.658 1.00 0.00 H new ATOM 0 HB2 GLU A 37 65.483 -12.457 10.848 1.00 0.00 H new ATOM 0 HB3 GLU A 37 63.911 -12.272 10.095 1.00 0.00 H new ATOM 0 HG2 GLU A 37 63.848 -14.720 9.592 1.00 0.00 H new ATOM 0 HG3 GLU A 37 65.439 -14.917 10.302 1.00 0.00 H new ATOM 586 N VAL A 38 64.906 -14.225 6.901 1.00 0.00 N ATOM 587 CA VAL A 38 64.062 -14.766 5.834 1.00 0.00 C ATOM 588 C VAL A 38 63.884 -16.265 6.043 1.00 0.00 C ATOM 589 O VAL A 38 64.854 -16.992 6.267 1.00 0.00 O ATOM 590 CB VAL A 38 64.701 -14.476 4.465 1.00 0.00 C ATOM 591 CG1 VAL A 38 66.177 -14.871 4.482 1.00 0.00 C ATOM 592 CG2 VAL A 38 63.984 -15.255 3.354 1.00 0.00 C ATOM 0 H VAL A 38 65.782 -14.728 7.041 1.00 0.00 H new ATOM 0 HA VAL A 38 63.082 -14.289 5.861 1.00 0.00 H new ATOM 0 HB VAL A 38 64.608 -13.408 4.267 1.00 0.00 H new ATOM 0 HG11 VAL A 38 66.621 -14.662 3.509 1.00 0.00 H new ATOM 0 HG12 VAL A 38 66.698 -14.298 5.249 1.00 0.00 H new ATOM 0 HG13 VAL A 38 66.266 -15.935 4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 38 64.452 -15.035 2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 38 64.054 -16.324 3.555 1.00 0.00 H new ATOM 0 HG23 VAL A 38 62.935 -14.960 3.322 1.00 0.00 H new ATOM 602 N MET A 39 62.634 -16.721 5.993 1.00 0.00 N ATOM 603 CA MET A 39 62.324 -18.136 6.199 1.00 0.00 C ATOM 604 C MET A 39 61.466 -18.680 5.064 1.00 0.00 C ATOM 605 O MET A 39 60.694 -17.948 4.445 1.00 0.00 O ATOM 606 CB MET A 39 61.572 -18.312 7.518 1.00 0.00 C ATOM 607 CG MET A 39 60.263 -17.524 7.466 1.00 0.00 C ATOM 608 SD MET A 39 59.510 -17.488 9.112 1.00 0.00 S ATOM 609 CE MET A 39 59.146 -19.257 9.240 1.00 0.00 C ATOM 0 H MET A 39 61.820 -16.133 5.812 1.00 0.00 H new ATOM 0 HA MET A 39 63.264 -18.687 6.225 1.00 0.00 H new ATOM 0 HB2 MET A 39 61.367 -19.368 7.694 1.00 0.00 H new ATOM 0 HB3 MET A 39 62.186 -17.964 8.349 1.00 0.00 H new ATOM 0 HG2 MET A 39 60.452 -16.508 7.119 1.00 0.00 H new ATOM 0 HG3 MET A 39 59.579 -17.983 6.752 1.00 0.00 H new ATOM 0 HE1 MET A 39 58.341 -19.412 9.958 1.00 0.00 H new ATOM 0 HE2 MET A 39 58.841 -19.637 8.265 1.00 0.00 H new ATOM 0 HE3 MET A 39 60.037 -19.789 9.574 1.00 0.00 H new ATOM 619 N THR A 40 61.594 -19.980 4.815 1.00 0.00 N ATOM 620 CA THR A 40 60.816 -20.643 3.768 1.00 0.00 C ATOM 621 C THR A 40 59.562 -21.259 4.384 1.00 0.00 C ATOM 622 O THR A 40 58.691 -20.542 4.875 1.00 0.00 O ATOM 623 CB THR A 40 61.658 -21.732 3.084 1.00 0.00 C ATOM 624 OG1 THR A 40 60.803 -22.613 2.369 1.00 0.00 O ATOM 625 CG2 THR A 40 62.446 -22.519 4.136 1.00 0.00 C ATOM 0 H THR A 40 62.228 -20.597 5.323 1.00 0.00 H new ATOM 0 HA THR A 40 60.528 -19.908 3.016 1.00 0.00 H new ATOM 0 HB THR A 40 62.358 -21.263 2.392 1.00 0.00 H new ATOM 0 HG1 THR A 40 61.340 -23.306 1.931 1.00 0.00 H new ATOM 0 HG21 THR A 40 63.040 -23.289 3.644 1.00 0.00 H new ATOM 0 HG22 THR A 40 63.106 -21.842 4.678 1.00 0.00 H new ATOM 0 HG23 THR A 40 61.753 -22.987 4.835 1.00 0.00 H new ATOM 633 N ASP A 41 59.478 -22.584 4.372 1.00 0.00 N ATOM 634 CA ASP A 41 58.315 -23.260 4.957 1.00 0.00 C ATOM 635 C ASP A 41 58.279 -23.006 6.465 1.00 0.00 C ATOM 636 O ASP A 41 57.230 -22.678 7.017 1.00 0.00 O ATOM 637 CB ASP A 41 58.391 -24.771 4.675 1.00 0.00 C ATOM 638 CG ASP A 41 57.863 -25.085 3.273 1.00 0.00 C ATOM 639 OD1 ASP A 41 57.263 -24.209 2.670 1.00 0.00 O ATOM 640 OD2 ASP A 41 58.071 -26.199 2.821 1.00 0.00 O ATOM 0 H ASP A 41 60.182 -23.205 3.974 1.00 0.00 H new ATOM 0 HA ASP A 41 57.404 -22.865 4.508 1.00 0.00 H new ATOM 0 HB2 ASP A 41 59.422 -25.112 4.766 1.00 0.00 H new ATOM 0 HB3 ASP A 41 57.809 -25.315 5.419 1.00 0.00 H new ATOM 645 N LYS A 42 59.435 -23.142 7.115 1.00 0.00 N ATOM 646 CA LYS A 42 59.528 -22.910 8.561 1.00 0.00 C ATOM 647 C LYS A 42 60.978 -23.038 9.040 1.00 0.00 C ATOM 648 O LYS A 42 61.277 -23.854 9.912 1.00 0.00 O ATOM 649 CB LYS A 42 58.657 -23.918 9.324 1.00 0.00 C ATOM 650 CG LYS A 42 58.462 -23.444 10.767 1.00 0.00 C ATOM 651 CD LYS A 42 57.487 -24.381 11.480 1.00 0.00 C ATOM 652 CE LYS A 42 57.287 -23.917 12.924 1.00 0.00 C ATOM 653 NZ LYS A 42 56.649 -22.569 12.929 1.00 0.00 N ATOM 0 H LYS A 42 60.314 -23.409 6.671 1.00 0.00 H new ATOM 0 HA LYS A 42 59.173 -21.899 8.759 1.00 0.00 H new ATOM 0 HB2 LYS A 42 57.690 -24.023 8.832 1.00 0.00 H new ATOM 0 HB3 LYS A 42 59.128 -24.901 9.314 1.00 0.00 H new ATOM 0 HG2 LYS A 42 59.418 -23.430 11.290 1.00 0.00 H new ATOM 0 HG3 LYS A 42 58.078 -22.424 10.778 1.00 0.00 H new ATOM 0 HD2 LYS A 42 56.531 -24.393 10.956 1.00 0.00 H new ATOM 0 HD3 LYS A 42 57.872 -25.401 11.466 1.00 0.00 H new ATOM 0 HE2 LYS A 42 56.662 -24.629 13.463 1.00 0.00 H new ATOM 0 HE3 LYS A 42 58.246 -23.879 13.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 56.224 -22.390 13.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 57.368 -21.844 12.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 55.910 -22.532 12.198 1.00 0.00 H new ATOM 667 N VAL A 43 61.880 -22.234 8.468 1.00 0.00 N ATOM 668 CA VAL A 43 63.296 -22.276 8.852 1.00 0.00 C ATOM 669 C VAL A 43 63.861 -20.866 8.976 1.00 0.00 C ATOM 670 O VAL A 43 63.558 -19.991 8.167 1.00 0.00 O ATOM 671 CB VAL A 43 64.099 -23.055 7.812 1.00 0.00 C ATOM 672 CG1 VAL A 43 65.558 -23.147 8.258 1.00 0.00 C ATOM 673 CG2 VAL A 43 63.515 -24.461 7.666 1.00 0.00 C ATOM 0 H VAL A 43 61.658 -21.551 7.743 1.00 0.00 H new ATOM 0 HA VAL A 43 63.373 -22.774 9.818 1.00 0.00 H new ATOM 0 HB VAL A 43 64.048 -22.541 6.852 1.00 0.00 H new ATOM 0 HG11 VAL A 43 66.131 -23.703 7.516 1.00 0.00 H new ATOM 0 HG12 VAL A 43 65.972 -22.144 8.359 1.00 0.00 H new ATOM 0 HG13 VAL A 43 65.613 -23.660 9.218 1.00 0.00 H new ATOM 0 HG21 VAL A 43 64.088 -25.018 6.924 1.00 0.00 H new ATOM 0 HG22 VAL A 43 63.565 -24.977 8.625 1.00 0.00 H new ATOM 0 HG23 VAL A 43 62.476 -24.392 7.345 1.00 0.00 H new ATOM 683 N THR A 44 64.684 -20.653 9.998 1.00 0.00 N ATOM 684 CA THR A 44 65.295 -19.336 10.231 1.00 0.00 C ATOM 685 C THR A 44 66.690 -19.280 9.621 1.00 0.00 C ATOM 686 O THR A 44 67.587 -20.015 10.030 1.00 0.00 O ATOM 687 CB THR A 44 65.409 -19.069 11.736 1.00 0.00 C ATOM 688 OG1 THR A 44 64.175 -19.379 12.369 1.00 0.00 O ATOM 689 CG2 THR A 44 65.754 -17.599 11.988 1.00 0.00 C ATOM 0 H THR A 44 64.946 -21.367 10.678 1.00 0.00 H new ATOM 0 HA THR A 44 64.662 -18.581 9.765 1.00 0.00 H new ATOM 0 HB THR A 44 66.201 -19.696 12.146 1.00 0.00 H new ATOM 0 HG1 THR A 44 64.249 -19.210 13.331 1.00 0.00 H new ATOM 0 HG21 THR A 44 65.832 -17.422 13.061 1.00 0.00 H new ATOM 0 HG22 THR A 44 66.705 -17.361 11.511 1.00 0.00 H new ATOM 0 HG23 THR A 44 64.971 -16.965 11.572 1.00 0.00 H new ATOM 697 N VAL A 45 66.868 -18.394 8.643 1.00 0.00 N ATOM 698 CA VAL A 45 68.164 -18.232 7.975 1.00 0.00 C ATOM 699 C VAL A 45 68.610 -16.767 8.017 1.00 0.00 C ATOM 700 O VAL A 45 67.935 -15.889 7.475 1.00 0.00 O ATOM 701 CB VAL A 45 68.037 -18.692 6.512 1.00 0.00 C ATOM 702 CG1 VAL A 45 69.410 -19.059 5.936 1.00 0.00 C ATOM 703 CG2 VAL A 45 67.123 -19.917 6.446 1.00 0.00 C ATOM 0 H VAL A 45 66.135 -17.777 8.294 1.00 0.00 H new ATOM 0 HA VAL A 45 68.910 -18.836 8.492 1.00 0.00 H new ATOM 0 HB VAL A 45 67.617 -17.875 5.925 1.00 0.00 H new ATOM 0 HG11 VAL A 45 69.296 -19.381 4.901 1.00 0.00 H new ATOM 0 HG12 VAL A 45 70.065 -18.189 5.975 1.00 0.00 H new ATOM 0 HG13 VAL A 45 69.846 -19.868 6.522 1.00 0.00 H new ATOM 0 HG21 VAL A 45 67.030 -20.246 5.411 1.00 0.00 H new ATOM 0 HG22 VAL A 45 67.549 -20.721 7.046 1.00 0.00 H new ATOM 0 HG23 VAL A 45 66.138 -19.657 6.834 1.00 0.00 H new ATOM 713 N LYS A 46 69.759 -16.512 8.645 1.00 0.00 N ATOM 714 CA LYS A 46 70.303 -15.155 8.732 1.00 0.00 C ATOM 715 C LYS A 46 71.257 -14.913 7.567 1.00 0.00 C ATOM 716 O LYS A 46 72.113 -15.749 7.274 1.00 0.00 O ATOM 717 CB LYS A 46 71.044 -14.962 10.057 1.00 0.00 C ATOM 718 CG LYS A 46 70.039 -14.950 11.213 1.00 0.00 C ATOM 719 CD LYS A 46 70.788 -14.773 12.537 1.00 0.00 C ATOM 720 CE LYS A 46 69.792 -14.823 13.696 1.00 0.00 C ATOM 721 NZ LYS A 46 68.897 -13.633 13.632 1.00 0.00 N ATOM 0 H LYS A 46 70.330 -17.225 9.100 1.00 0.00 H new ATOM 0 HA LYS A 46 69.481 -14.441 8.685 1.00 0.00 H new ATOM 0 HB2 LYS A 46 71.768 -15.764 10.200 1.00 0.00 H new ATOM 0 HB3 LYS A 46 71.604 -14.027 10.039 1.00 0.00 H new ATOM 0 HG2 LYS A 46 69.322 -14.141 11.077 1.00 0.00 H new ATOM 0 HG3 LYS A 46 69.471 -15.880 11.225 1.00 0.00 H new ATOM 0 HD2 LYS A 46 71.536 -15.558 12.652 1.00 0.00 H new ATOM 0 HD3 LYS A 46 71.321 -13.822 12.542 1.00 0.00 H new ATOM 0 HE2 LYS A 46 69.202 -15.738 13.644 1.00 0.00 H new ATOM 0 HE3 LYS A 46 70.324 -14.840 14.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 68.423 -13.505 14.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 69.460 -12.787 13.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 68.182 -13.776 12.890 1.00 0.00 H new ATOM 735 N ILE A 47 71.096 -13.776 6.889 1.00 0.00 N ATOM 736 CA ILE A 47 71.945 -13.447 5.731 1.00 0.00 C ATOM 737 C ILE A 47 72.289 -11.948 5.725 1.00 0.00 C ATOM 738 O ILE A 47 71.408 -11.127 5.972 1.00 0.00 O ATOM 739 CB ILE A 47 71.190 -13.787 4.432 1.00 0.00 C ATOM 740 CG1 ILE A 47 70.709 -15.243 4.467 1.00 0.00 C ATOM 741 CG2 ILE A 47 72.112 -13.595 3.225 1.00 0.00 C ATOM 742 CD1 ILE A 47 69.857 -15.530 3.228 1.00 0.00 C ATOM 0 H ILE A 47 70.395 -13.070 7.114 1.00 0.00 H new ATOM 0 HA ILE A 47 72.866 -14.027 5.798 1.00 0.00 H new ATOM 0 HB ILE A 47 70.331 -13.122 4.346 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.564 -15.919 4.498 1.00 0.00 H new ATOM 0 HG13 ILE A 47 70.127 -15.423 5.371 1.00 0.00 H new ATOM 0 HG21 ILE A 47 71.570 -13.838 2.311 1.00 0.00 H new ATOM 0 HG22 ILE A 47 72.447 -12.558 3.184 1.00 0.00 H new ATOM 0 HG23 ILE A 47 72.977 -14.252 3.319 1.00 0.00 H new ATOM 0 HD11 ILE A 47 69.515 -16.565 3.253 1.00 0.00 H new ATOM 0 HD12 ILE A 47 68.995 -14.863 3.217 1.00 0.00 H new ATOM 0 HD13 ILE A 47 70.453 -15.367 2.330 1.00 0.00 H new ATOM 754 N PRO A 48 73.518 -11.547 5.427 1.00 0.00 N ATOM 755 CA PRO A 48 73.861 -10.092 5.383 1.00 0.00 C ATOM 756 C PRO A 48 72.891 -9.326 4.487 1.00 0.00 C ATOM 757 O PRO A 48 72.460 -9.831 3.449 1.00 0.00 O ATOM 758 CB PRO A 48 75.296 -10.050 4.822 1.00 0.00 C ATOM 759 CG PRO A 48 75.871 -11.407 5.087 1.00 0.00 C ATOM 760 CD PRO A 48 74.695 -12.392 5.120 1.00 0.00 C ATOM 0 HA PRO A 48 73.791 -9.620 6.363 1.00 0.00 H new ATOM 0 HB2 PRO A 48 75.294 -9.827 3.755 1.00 0.00 H new ATOM 0 HB3 PRO A 48 75.885 -9.273 5.309 1.00 0.00 H new ATOM 0 HG2 PRO A 48 76.584 -11.683 4.310 1.00 0.00 H new ATOM 0 HG3 PRO A 48 76.411 -11.419 6.034 1.00 0.00 H new ATOM 0 HD2 PRO A 48 74.578 -12.904 4.165 1.00 0.00 H new ATOM 0 HD3 PRO A 48 74.841 -13.161 5.879 1.00 0.00 H new ATOM 768 N SER A 49 72.534 -8.115 4.904 1.00 0.00 N ATOM 769 CA SER A 49 71.596 -7.306 4.139 1.00 0.00 C ATOM 770 C SER A 49 71.962 -7.301 2.647 1.00 0.00 C ATOM 771 O SER A 49 73.078 -7.662 2.270 1.00 0.00 O ATOM 772 CB SER A 49 71.557 -5.882 4.711 1.00 0.00 C ATOM 773 OG SER A 49 70.235 -5.591 5.142 1.00 0.00 O ATOM 0 H SER A 49 72.877 -7.677 5.759 1.00 0.00 H new ATOM 0 HA SER A 49 70.601 -7.742 4.224 1.00 0.00 H new ATOM 0 HB2 SER A 49 72.253 -5.793 5.545 1.00 0.00 H new ATOM 0 HB3 SER A 49 71.873 -5.164 3.954 1.00 0.00 H new ATOM 0 HG SER A 49 69.844 -6.387 5.560 1.00 0.00 H new ATOM 779 N PRO A 50 71.036 -6.912 1.805 1.00 0.00 N ATOM 780 CA PRO A 50 71.241 -6.869 0.321 1.00 0.00 C ATOM 781 C PRO A 50 72.052 -5.643 -0.139 1.00 0.00 C ATOM 782 O PRO A 50 71.592 -4.881 -0.988 1.00 0.00 O ATOM 783 CB PRO A 50 69.802 -6.803 -0.207 1.00 0.00 C ATOM 784 CG PRO A 50 69.060 -6.041 0.837 1.00 0.00 C ATOM 785 CD PRO A 50 69.675 -6.467 2.171 1.00 0.00 C ATOM 0 HA PRO A 50 71.817 -7.720 -0.044 1.00 0.00 H new ATOM 0 HB2 PRO A 50 69.756 -6.301 -1.174 1.00 0.00 H new ATOM 0 HB3 PRO A 50 69.383 -7.800 -0.345 1.00 0.00 H new ATOM 0 HG2 PRO A 50 69.161 -4.966 0.684 1.00 0.00 H new ATOM 0 HG3 PRO A 50 67.995 -6.269 0.806 1.00 0.00 H new ATOM 0 HD2 PRO A 50 69.702 -5.641 2.881 1.00 0.00 H new ATOM 0 HD3 PRO A 50 69.103 -7.270 2.637 1.00 0.00 H new ATOM 793 N VAL A 51 73.250 -5.442 0.420 1.00 0.00 N ATOM 794 CA VAL A 51 74.065 -4.285 0.023 1.00 0.00 C ATOM 795 C VAL A 51 73.291 -2.995 0.301 1.00 0.00 C ATOM 796 O VAL A 51 72.297 -2.707 -0.365 1.00 0.00 O ATOM 797 CB VAL A 51 74.399 -4.374 -1.471 1.00 0.00 C ATOM 798 CG1 VAL A 51 75.545 -3.415 -1.804 1.00 0.00 C ATOM 799 CG2 VAL A 51 74.822 -5.806 -1.809 1.00 0.00 C ATOM 0 H VAL A 51 73.669 -6.045 1.128 1.00 0.00 H new ATOM 0 HA VAL A 51 74.991 -4.283 0.597 1.00 0.00 H new ATOM 0 HB VAL A 51 73.520 -4.101 -2.055 1.00 0.00 H new ATOM 0 HG11 VAL A 51 75.778 -3.482 -2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 51 75.248 -2.395 -1.561 1.00 0.00 H new ATOM 0 HG13 VAL A 51 76.426 -3.684 -1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 51 75.060 -5.874 -2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 51 75.700 -6.074 -1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 51 74.007 -6.491 -1.576 1.00 0.00 H new ATOM 809 N ARG A 52 73.732 -2.233 1.306 1.00 0.00 N ATOM 810 CA ARG A 52 73.052 -0.992 1.683 1.00 0.00 C ATOM 811 C ARG A 52 73.795 0.239 1.174 1.00 0.00 C ATOM 812 O ARG A 52 75.024 0.261 1.098 1.00 0.00 O ATOM 813 CB ARG A 52 72.921 -0.948 3.202 1.00 0.00 C ATOM 814 CG ARG A 52 71.954 -2.041 3.643 1.00 0.00 C ATOM 815 CD ARG A 52 71.848 -2.058 5.166 1.00 0.00 C ATOM 816 NE ARG A 52 70.970 -3.143 5.579 1.00 0.00 N ATOM 817 CZ ARG A 52 70.468 -3.200 6.804 1.00 0.00 C ATOM 818 NH1 ARG A 52 70.738 -2.263 7.672 1.00 0.00 N ATOM 819 NH2 ARG A 52 69.692 -4.193 7.136 1.00 0.00 N ATOM 0 H ARG A 52 74.553 -2.453 1.870 1.00 0.00 H new ATOM 0 HA ARG A 52 72.065 -0.979 1.221 1.00 0.00 H new ATOM 0 HB2 ARG A 52 73.895 -1.094 3.669 1.00 0.00 H new ATOM 0 HB3 ARG A 52 72.558 0.029 3.521 1.00 0.00 H new ATOM 0 HG2 ARG A 52 70.972 -1.868 3.203 1.00 0.00 H new ATOM 0 HG3 ARG A 52 72.299 -3.010 3.283 1.00 0.00 H new ATOM 0 HD2 ARG A 52 72.836 -2.187 5.609 1.00 0.00 H new ATOM 0 HD3 ARG A 52 71.460 -1.105 5.525 1.00 0.00 H new ATOM 0 HE ARG A 52 70.736 -3.876 4.910 1.00 0.00 H new ATOM 0 HH11 ARG A 52 71.338 -1.482 7.409 1.00 0.00 H new ATOM 0 HH12 ARG A 52 70.349 -2.312 8.613 1.00 0.00 H new ATOM 0 HH21 ARG A 52 69.474 -4.920 6.455 1.00 0.00 H new ATOM 0 HH22 ARG A 52 69.302 -4.243 8.077 1.00 0.00 H new ATOM 833 N GLY A 53 73.021 1.262 0.826 1.00 0.00 N ATOM 834 CA GLY A 53 73.564 2.516 0.316 1.00 0.00 C ATOM 835 C GLY A 53 72.449 3.552 0.238 1.00 0.00 C ATOM 836 O GLY A 53 72.240 4.319 1.179 1.00 0.00 O ATOM 0 H GLY A 53 72.003 1.245 0.889 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.362 2.872 0.968 1.00 0.00 H new ATOM 0 HA3 GLY A 53 74.002 2.362 -0.670 1.00 0.00 H new ATOM 840 N LYS A 54 71.710 3.553 -0.877 1.00 0.00 N ATOM 841 CA LYS A 54 70.591 4.478 -1.054 1.00 0.00 C ATOM 842 C LYS A 54 69.336 3.683 -1.380 1.00 0.00 C ATOM 843 O LYS A 54 69.255 3.040 -2.426 1.00 0.00 O ATOM 844 CB LYS A 54 70.895 5.464 -2.185 1.00 0.00 C ATOM 845 CG LYS A 54 71.993 6.429 -1.736 1.00 0.00 C ATOM 846 CD LYS A 54 72.305 7.411 -2.867 1.00 0.00 C ATOM 847 CE LYS A 54 73.363 8.414 -2.400 1.00 0.00 C ATOM 848 NZ LYS A 54 74.635 7.697 -2.107 1.00 0.00 N ATOM 0 H LYS A 54 71.868 2.926 -1.666 1.00 0.00 H new ATOM 0 HA LYS A 54 70.438 5.043 -0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 54 71.212 4.924 -3.077 1.00 0.00 H new ATOM 0 HB3 LYS A 54 69.995 6.018 -2.451 1.00 0.00 H new ATOM 0 HG2 LYS A 54 71.673 6.972 -0.847 1.00 0.00 H new ATOM 0 HG3 LYS A 54 72.891 5.874 -1.464 1.00 0.00 H new ATOM 0 HD2 LYS A 54 72.664 6.870 -3.743 1.00 0.00 H new ATOM 0 HD3 LYS A 54 71.398 7.937 -3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 54 73.528 9.169 -3.169 1.00 0.00 H new ATOM 0 HE3 LYS A 54 73.015 8.937 -1.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 75.421 8.378 -2.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 74.563 7.226 -1.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 74.810 6.985 -2.845 1.00 0.00 H new ATOM 862 N ILE A 55 68.362 3.711 -0.472 1.00 0.00 N ATOM 863 CA ILE A 55 67.125 2.963 -0.676 1.00 0.00 C ATOM 864 C ILE A 55 66.096 3.859 -1.374 1.00 0.00 C ATOM 865 O ILE A 55 65.736 4.917 -0.859 1.00 0.00 O ATOM 866 CB ILE A 55 66.591 2.498 0.689 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.767 2.125 1.607 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.698 1.267 0.509 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.698 1.120 0.919 1.00 0.00 C ATOM 0 H ILE A 55 68.404 4.237 0.401 1.00 0.00 H new ATOM 0 HA ILE A 55 67.313 2.092 -1.303 1.00 0.00 H new ATOM 0 HB ILE A 55 66.015 3.309 1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.326 3.022 1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.388 1.699 2.536 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.324 0.944 1.480 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.858 1.519 -0.138 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.276 0.461 0.056 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.522 0.871 1.587 1.00 0.00 H new ATOM 0 HD12 ILE A 55 68.141 0.215 0.677 1.00 0.00 H new ATOM 0 HD13 ILE A 55 69.094 1.559 0.003 1.00 0.00 H new ATOM 881 N VAL A 56 65.645 3.441 -2.558 1.00 0.00 N ATOM 882 CA VAL A 56 64.680 4.238 -3.322 1.00 0.00 C ATOM 883 C VAL A 56 63.252 4.063 -2.795 1.00 0.00 C ATOM 884 O VAL A 56 62.568 5.047 -2.517 1.00 0.00 O ATOM 885 CB VAL A 56 64.745 3.851 -4.816 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.513 4.384 -5.565 1.00 0.00 C ATOM 887 CG2 VAL A 56 66.011 4.449 -5.451 1.00 0.00 C ATOM 0 H VAL A 56 65.926 2.568 -3.005 1.00 0.00 H new ATOM 0 HA VAL A 56 64.948 5.288 -3.204 1.00 0.00 H new ATOM 0 HB VAL A 56 64.767 2.764 -4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.576 4.102 -6.616 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.609 3.958 -5.128 1.00 0.00 H new ATOM 0 HG13 VAL A 56 63.479 5.470 -5.482 1.00 0.00 H new ATOM 0 HG21 VAL A 56 66.054 4.174 -6.505 1.00 0.00 H new ATOM 0 HG22 VAL A 56 65.986 5.535 -5.360 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.892 4.062 -4.939 1.00 0.00 H new ATOM 897 N LYS A 57 62.793 2.818 -2.676 1.00 0.00 N ATOM 898 CA LYS A 57 61.430 2.580 -2.205 1.00 0.00 C ATOM 899 C LYS A 57 61.202 1.102 -1.910 1.00 0.00 C ATOM 900 O LYS A 57 61.905 0.237 -2.433 1.00 0.00 O ATOM 901 CB LYS A 57 60.435 3.053 -3.271 1.00 0.00 C ATOM 902 CG LYS A 57 59.006 2.977 -2.725 1.00 0.00 C ATOM 903 CD LYS A 57 58.032 3.556 -3.754 1.00 0.00 C ATOM 904 CE LYS A 57 56.607 3.487 -3.202 1.00 0.00 C ATOM 905 NZ LYS A 57 56.487 4.380 -2.016 1.00 0.00 N ATOM 0 H LYS A 57 63.329 1.978 -2.893 1.00 0.00 H new ATOM 0 HA LYS A 57 61.280 3.139 -1.281 1.00 0.00 H new ATOM 0 HB2 LYS A 57 60.666 4.076 -3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 57 60.525 2.435 -4.164 1.00 0.00 H new ATOM 0 HG2 LYS A 57 58.745 1.942 -2.504 1.00 0.00 H new ATOM 0 HG3 LYS A 57 58.934 3.531 -1.789 1.00 0.00 H new ATOM 0 HD2 LYS A 57 58.296 4.589 -3.980 1.00 0.00 H new ATOM 0 HD3 LYS A 57 58.099 2.998 -4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 57 55.894 3.787 -3.970 1.00 0.00 H new ATOM 0 HE3 LYS A 57 56.363 2.462 -2.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 55.485 4.601 -1.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 56.881 3.902 -1.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 57.011 5.261 -2.190 1.00 0.00 H new ATOM 919 N ILE A 58 60.211 0.820 -1.062 1.00 0.00 N ATOM 920 CA ILE A 58 59.879 -0.551 -0.685 1.00 0.00 C ATOM 921 C ILE A 58 58.530 -0.959 -1.285 1.00 0.00 C ATOM 922 O ILE A 58 57.501 -0.347 -1.002 1.00 0.00 O ATOM 923 CB ILE A 58 59.846 -0.640 0.849 1.00 0.00 C ATOM 924 CG1 ILE A 58 59.975 -2.102 1.289 1.00 0.00 C ATOM 925 CG2 ILE A 58 58.543 -0.032 1.391 1.00 0.00 C ATOM 926 CD1 ILE A 58 59.558 -2.264 2.758 1.00 0.00 C ATOM 0 H ILE A 58 59.623 1.528 -0.623 1.00 0.00 H new ATOM 0 HA ILE A 58 60.632 -1.237 -1.073 1.00 0.00 H new ATOM 0 HB ILE A 58 60.685 -0.074 1.254 1.00 0.00 H new ATOM 0 HG12 ILE A 58 59.351 -2.734 0.657 1.00 0.00 H new ATOM 0 HG13 ILE A 58 61.004 -2.437 1.159 1.00 0.00 H new ATOM 0 HG21 ILE A 58 58.534 -0.102 2.479 1.00 0.00 H new ATOM 0 HG22 ILE A 58 58.479 1.015 1.094 1.00 0.00 H new ATOM 0 HG23 ILE A 58 57.691 -0.577 0.985 1.00 0.00 H new ATOM 0 HD11 ILE A 58 59.657 -3.309 3.051 1.00 0.00 H new ATOM 0 HD12 ILE A 58 60.200 -1.648 3.388 1.00 0.00 H new ATOM 0 HD13 ILE A 58 58.521 -1.950 2.879 1.00 0.00 H new ATOM 938 N LEU A 59 58.546 -1.995 -2.122 1.00 0.00 N ATOM 939 CA LEU A 59 57.319 -2.480 -2.762 1.00 0.00 C ATOM 940 C LEU A 59 56.732 -3.652 -1.978 1.00 0.00 C ATOM 941 O LEU A 59 55.562 -3.997 -2.146 1.00 0.00 O ATOM 942 CB LEU A 59 57.618 -2.922 -4.201 1.00 0.00 C ATOM 943 CG LEU A 59 58.121 -1.729 -5.027 1.00 0.00 C ATOM 944 CD1 LEU A 59 58.568 -2.226 -6.407 1.00 0.00 C ATOM 945 CD2 LEU A 59 57.001 -0.682 -5.195 1.00 0.00 C ATOM 0 H LEU A 59 59.388 -2.513 -2.373 1.00 0.00 H new ATOM 0 HA LEU A 59 56.593 -1.667 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 59 58.367 -3.714 -4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 59 56.719 -3.336 -4.657 1.00 0.00 H new ATOM 0 HG LEU A 59 58.960 -1.264 -4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 59 58.926 -1.384 -6.999 1.00 0.00 H new ATOM 0 HD12 LEU A 59 59.371 -2.954 -6.289 1.00 0.00 H new ATOM 0 HD13 LEU A 59 57.725 -2.694 -6.916 1.00 0.00 H new ATOM 0 HD21 LEU A 59 57.373 0.157 -5.783 1.00 0.00 H new ATOM 0 HD22 LEU A 59 56.153 -1.136 -5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 59 56.685 -0.327 -4.214 1.00 0.00 H new ATOM 957 N TYR A 60 57.553 -4.263 -1.122 1.00 0.00 N ATOM 958 CA TYR A 60 57.113 -5.403 -0.307 1.00 0.00 C ATOM 959 C TYR A 60 57.014 -5.014 1.164 1.00 0.00 C ATOM 960 O TYR A 60 57.851 -4.272 1.680 1.00 0.00 O ATOM 961 CB TYR A 60 58.111 -6.566 -0.459 1.00 0.00 C ATOM 962 CG TYR A 60 57.871 -7.285 -1.777 1.00 0.00 C ATOM 963 CD1 TYR A 60 58.214 -6.667 -2.989 1.00 0.00 C ATOM 964 CD2 TYR A 60 57.313 -8.578 -1.787 1.00 0.00 C ATOM 965 CE1 TYR A 60 57.998 -7.335 -4.201 1.00 0.00 C ATOM 966 CE2 TYR A 60 57.100 -9.237 -2.999 1.00 0.00 C ATOM 967 CZ TYR A 60 57.443 -8.619 -4.207 1.00 0.00 C ATOM 968 OH TYR A 60 57.232 -9.276 -5.401 1.00 0.00 O ATOM 0 H TYR A 60 58.525 -3.990 -0.973 1.00 0.00 H new ATOM 0 HA TYR A 60 56.127 -5.711 -0.655 1.00 0.00 H new ATOM 0 HB2 TYR A 60 59.132 -6.187 -0.422 1.00 0.00 H new ATOM 0 HB3 TYR A 60 57.999 -7.263 0.371 1.00 0.00 H new ATOM 0 HD1 TYR A 60 58.644 -5.676 -2.987 1.00 0.00 H new ATOM 0 HD2 TYR A 60 57.050 -9.060 -0.857 1.00 0.00 H new ATOM 0 HE1 TYR A 60 58.261 -6.857 -5.133 1.00 0.00 H new ATOM 0 HE2 TYR A 60 56.669 -10.227 -3.005 1.00 0.00 H new ATOM 0 HH TYR A 60 56.841 -10.157 -5.225 1.00 0.00 H new ATOM 978 N ARG A 61 55.990 -5.538 1.840 1.00 0.00 N ATOM 979 CA ARG A 61 55.781 -5.262 3.262 1.00 0.00 C ATOM 980 C ARG A 61 55.520 -6.563 4.015 1.00 0.00 C ATOM 981 O ARG A 61 55.267 -7.605 3.410 1.00 0.00 O ATOM 982 CB ARG A 61 54.608 -4.294 3.453 1.00 0.00 C ATOM 983 CG ARG A 61 53.309 -4.926 2.952 1.00 0.00 C ATOM 984 CD ARG A 61 52.164 -3.927 3.116 1.00 0.00 C ATOM 985 NE ARG A 61 52.339 -2.808 2.197 1.00 0.00 N ATOM 986 CZ ARG A 61 51.516 -1.766 2.217 1.00 0.00 C ATOM 987 NH1 ARG A 61 50.541 -1.720 3.083 1.00 0.00 N ATOM 988 NH2 ARG A 61 51.688 -0.784 1.373 1.00 0.00 N ATOM 0 H ARG A 61 55.292 -6.156 1.425 1.00 0.00 H new ATOM 0 HA ARG A 61 56.682 -4.797 3.663 1.00 0.00 H new ATOM 0 HB2 ARG A 61 54.511 -4.034 4.507 1.00 0.00 H new ATOM 0 HB3 ARG A 61 54.801 -3.367 2.913 1.00 0.00 H new ATOM 0 HG2 ARG A 61 53.410 -5.211 1.905 1.00 0.00 H new ATOM 0 HG3 ARG A 61 53.095 -5.837 3.511 1.00 0.00 H new ATOM 0 HD2 ARG A 61 51.211 -4.420 2.924 1.00 0.00 H new ATOM 0 HD3 ARG A 61 52.133 -3.563 4.143 1.00 0.00 H new ATOM 0 HE ARG A 61 53.108 -2.826 1.527 1.00 0.00 H new ATOM 0 HH11 ARG A 61 50.411 -2.485 3.745 1.00 0.00 H new ATOM 0 HH12 ARG A 61 49.909 -0.919 3.098 1.00 0.00 H new ATOM 0 HH21 ARG A 61 52.454 -0.818 0.700 1.00 0.00 H new ATOM 0 HH22 ARG A 61 51.057 0.017 1.387 1.00 0.00 H new ATOM 1002 N GLU A 62 55.604 -6.495 5.335 1.00 0.00 N ATOM 1003 CA GLU A 62 55.400 -7.671 6.179 1.00 0.00 C ATOM 1004 C GLU A 62 54.078 -8.368 5.870 1.00 0.00 C ATOM 1005 O GLU A 62 53.062 -7.719 5.624 1.00 0.00 O ATOM 1006 CB GLU A 62 55.408 -7.261 7.655 1.00 0.00 C ATOM 1007 CG GLU A 62 56.814 -6.829 8.067 1.00 0.00 C ATOM 1008 CD GLU A 62 56.817 -6.380 9.522 1.00 0.00 C ATOM 1009 OE1 GLU A 62 55.769 -6.445 10.144 1.00 0.00 O ATOM 1010 OE2 GLU A 62 57.867 -5.978 9.998 1.00 0.00 O ATOM 0 H GLU A 62 55.812 -5.639 5.849 1.00 0.00 H new ATOM 0 HA GLU A 62 56.214 -8.365 5.972 1.00 0.00 H new ATOM 0 HB2 GLU A 62 54.705 -6.444 7.818 1.00 0.00 H new ATOM 0 HB3 GLU A 62 55.078 -8.095 8.275 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.511 -7.656 7.932 1.00 0.00 H new ATOM 0 HG3 GLU A 62 57.156 -6.016 7.426 1.00 0.00 H new ATOM 1017 N GLY A 63 54.100 -9.705 5.912 1.00 0.00 N ATOM 1018 CA GLY A 63 52.889 -10.501 5.660 1.00 0.00 C ATOM 1019 C GLY A 63 52.797 -10.969 4.211 1.00 0.00 C ATOM 1020 O GLY A 63 51.796 -11.564 3.811 1.00 0.00 O ATOM 0 H GLY A 63 54.934 -10.256 6.116 1.00 0.00 H new ATOM 0 HA2 GLY A 63 52.882 -11.368 6.321 1.00 0.00 H new ATOM 0 HA3 GLY A 63 52.009 -9.907 5.905 1.00 0.00 H new ATOM 1024 N GLN A 64 53.833 -10.700 3.416 1.00 0.00 N ATOM 1025 CA GLN A 64 53.830 -11.105 2.007 1.00 0.00 C ATOM 1026 C GLN A 64 54.625 -12.386 1.783 1.00 0.00 C ATOM 1027 O GLN A 64 55.767 -12.519 2.222 1.00 0.00 O ATOM 1028 CB GLN A 64 54.407 -9.990 1.132 1.00 0.00 C ATOM 1029 CG GLN A 64 53.404 -8.840 1.052 1.00 0.00 C ATOM 1030 CD GLN A 64 53.974 -7.710 0.201 1.00 0.00 C ATOM 1031 OE1 GLN A 64 55.088 -7.819 -0.310 1.00 0.00 O ATOM 1032 NE2 GLN A 64 53.264 -6.635 0.003 1.00 0.00 N ATOM 0 H GLN A 64 54.675 -10.210 3.717 1.00 0.00 H new ATOM 0 HA GLN A 64 52.793 -11.294 1.728 1.00 0.00 H new ATOM 0 HB2 GLN A 64 55.350 -9.637 1.548 1.00 0.00 H new ATOM 0 HB3 GLN A 64 54.622 -10.370 0.133 1.00 0.00 H new ATOM 0 HG2 GLN A 64 52.467 -9.193 0.622 1.00 0.00 H new ATOM 0 HG3 GLN A 64 53.177 -8.474 2.053 1.00 0.00 H new ATOM 0 HE21 GLN A 64 52.341 -6.548 0.428 1.00 0.00 H new ATOM 0 HE22 GLN A 64 53.631 -5.881 -0.577 1.00 0.00 H new ATOM 1041 N VAL A 65 53.999 -13.316 1.066 1.00 0.00 N ATOM 1042 CA VAL A 65 54.613 -14.601 0.726 1.00 0.00 C ATOM 1043 C VAL A 65 54.497 -14.805 -0.782 1.00 0.00 C ATOM 1044 O VAL A 65 53.400 -14.751 -1.336 1.00 0.00 O ATOM 1045 CB VAL A 65 53.903 -15.737 1.479 1.00 0.00 C ATOM 1046 CG1 VAL A 65 52.382 -15.598 1.337 1.00 0.00 C ATOM 1047 CG2 VAL A 65 54.343 -17.088 0.913 1.00 0.00 C ATOM 0 H VAL A 65 53.052 -13.202 0.704 1.00 0.00 H new ATOM 0 HA VAL A 65 55.663 -14.606 1.018 1.00 0.00 H new ATOM 0 HB VAL A 65 54.171 -15.678 2.534 1.00 0.00 H new ATOM 0 HG11 VAL A 65 51.891 -16.409 1.875 1.00 0.00 H new ATOM 0 HG12 VAL A 65 52.064 -14.642 1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 65 52.109 -15.644 0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 65 53.837 -17.890 1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 65 54.085 -17.141 -0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 65 55.421 -17.198 1.029 1.00 0.00 H new ATOM 1057 N VAL A 66 55.633 -15.012 -1.449 1.00 0.00 N ATOM 1058 CA VAL A 66 55.628 -15.185 -2.910 1.00 0.00 C ATOM 1059 C VAL A 66 56.757 -16.132 -3.366 1.00 0.00 C ATOM 1060 O VAL A 66 57.876 -16.025 -2.869 1.00 0.00 O ATOM 1061 CB VAL A 66 55.838 -13.816 -3.573 1.00 0.00 C ATOM 1062 CG1 VAL A 66 55.432 -13.875 -5.048 1.00 0.00 C ATOM 1063 CG2 VAL A 66 54.988 -12.759 -2.863 1.00 0.00 C ATOM 0 H VAL A 66 56.555 -15.064 -1.015 1.00 0.00 H new ATOM 0 HA VAL A 66 54.671 -15.619 -3.201 1.00 0.00 H new ATOM 0 HB VAL A 66 56.893 -13.552 -3.498 1.00 0.00 H new ATOM 0 HG11 VAL A 66 55.585 -12.898 -5.507 1.00 0.00 H new ATOM 0 HG12 VAL A 66 56.041 -14.618 -5.563 1.00 0.00 H new ATOM 0 HG13 VAL A 66 54.380 -14.151 -5.125 1.00 0.00 H new ATOM 0 HG21 VAL A 66 55.141 -11.790 -3.338 1.00 0.00 H new ATOM 0 HG22 VAL A 66 53.935 -13.034 -2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 66 55.282 -12.700 -1.815 1.00 0.00 H new ATOM 1073 N PRO A 67 56.519 -17.033 -4.312 1.00 0.00 N ATOM 1074 CA PRO A 67 57.597 -17.946 -4.807 1.00 0.00 C ATOM 1075 C PRO A 67 58.853 -17.183 -5.246 1.00 0.00 C ATOM 1076 O PRO A 67 58.765 -16.087 -5.800 1.00 0.00 O ATOM 1077 CB PRO A 67 56.959 -18.678 -6.002 1.00 0.00 C ATOM 1078 CG PRO A 67 55.482 -18.593 -5.781 1.00 0.00 C ATOM 1079 CD PRO A 67 55.230 -17.303 -4.994 1.00 0.00 C ATOM 0 HA PRO A 67 57.935 -18.623 -4.023 1.00 0.00 H new ATOM 0 HB2 PRO A 67 57.242 -18.211 -6.945 1.00 0.00 H new ATOM 0 HB3 PRO A 67 57.290 -19.716 -6.049 1.00 0.00 H new ATOM 0 HG2 PRO A 67 54.948 -18.577 -6.731 1.00 0.00 H new ATOM 0 HG3 PRO A 67 55.123 -19.461 -5.228 1.00 0.00 H new ATOM 0 HD2 PRO A 67 54.950 -16.482 -5.654 1.00 0.00 H new ATOM 0 HD3 PRO A 67 54.419 -17.426 -4.277 1.00 0.00 H new ATOM 1087 N VAL A 68 60.015 -17.778 -4.988 1.00 0.00 N ATOM 1088 CA VAL A 68 61.293 -17.161 -5.356 1.00 0.00 C ATOM 1089 C VAL A 68 61.291 -16.758 -6.832 1.00 0.00 C ATOM 1090 O VAL A 68 60.985 -17.568 -7.710 1.00 0.00 O ATOM 1091 CB VAL A 68 62.439 -18.157 -5.079 1.00 0.00 C ATOM 1092 CG1 VAL A 68 62.040 -19.552 -5.571 1.00 0.00 C ATOM 1093 CG2 VAL A 68 63.727 -17.721 -5.800 1.00 0.00 C ATOM 0 H VAL A 68 60.101 -18.684 -4.527 1.00 0.00 H new ATOM 0 HA VAL A 68 61.439 -16.262 -4.758 1.00 0.00 H new ATOM 0 HB VAL A 68 62.623 -18.177 -4.005 1.00 0.00 H new ATOM 0 HG11 VAL A 68 62.851 -20.253 -5.374 1.00 0.00 H new ATOM 0 HG12 VAL A 68 61.142 -19.880 -5.047 1.00 0.00 H new ATOM 0 HG13 VAL A 68 61.843 -19.517 -6.642 1.00 0.00 H new ATOM 0 HG21 VAL A 68 64.521 -18.437 -5.591 1.00 0.00 H new ATOM 0 HG22 VAL A 68 63.547 -17.682 -6.874 1.00 0.00 H new ATOM 0 HG23 VAL A 68 64.026 -16.734 -5.446 1.00 0.00 H new ATOM 1103 N GLY A 69 61.654 -15.502 -7.093 1.00 0.00 N ATOM 1104 CA GLY A 69 61.714 -14.982 -8.465 1.00 0.00 C ATOM 1105 C GLY A 69 61.037 -13.615 -8.583 1.00 0.00 C ATOM 1106 O GLY A 69 60.174 -13.420 -9.439 1.00 0.00 O ATOM 0 H GLY A 69 61.911 -14.824 -6.375 1.00 0.00 H new ATOM 0 HA2 GLY A 69 62.755 -14.901 -8.778 1.00 0.00 H new ATOM 0 HA3 GLY A 69 61.232 -15.687 -9.142 1.00 0.00 H new ATOM 1110 N SER A 70 61.433 -12.666 -7.731 1.00 0.00 N ATOM 1111 CA SER A 70 60.846 -11.325 -7.777 1.00 0.00 C ATOM 1112 C SER A 70 61.789 -10.289 -7.168 1.00 0.00 C ATOM 1113 O SER A 70 62.706 -10.633 -6.422 1.00 0.00 O ATOM 1114 CB SER A 70 59.523 -11.310 -7.015 1.00 0.00 C ATOM 1115 OG SER A 70 58.611 -12.204 -7.638 1.00 0.00 O ATOM 0 H SER A 70 62.145 -12.797 -7.013 1.00 0.00 H new ATOM 0 HA SER A 70 60.675 -11.069 -8.823 1.00 0.00 H new ATOM 0 HB2 SER A 70 59.685 -11.602 -5.977 1.00 0.00 H new ATOM 0 HB3 SER A 70 59.109 -10.302 -7.002 1.00 0.00 H new ATOM 0 HG SER A 70 58.956 -12.462 -8.518 1.00 0.00 H new ATOM 1121 N THR A 71 61.545 -9.015 -7.484 1.00 0.00 N ATOM 1122 CA THR A 71 62.365 -7.924 -6.957 1.00 0.00 C ATOM 1123 C THR A 71 61.741 -7.380 -5.683 1.00 0.00 C ATOM 1124 O THR A 71 60.665 -6.784 -5.710 1.00 0.00 O ATOM 1125 CB THR A 71 62.466 -6.797 -7.984 1.00 0.00 C ATOM 1126 OG1 THR A 71 61.165 -6.455 -8.441 1.00 0.00 O ATOM 1127 CG2 THR A 71 63.315 -7.263 -9.158 1.00 0.00 C ATOM 0 H THR A 71 60.789 -8.715 -8.100 1.00 0.00 H new ATOM 0 HA THR A 71 63.362 -8.309 -6.744 1.00 0.00 H new ATOM 0 HB THR A 71 62.928 -5.923 -7.526 1.00 0.00 H new ATOM 0 HG1 THR A 71 60.534 -6.495 -7.692 1.00 0.00 H new ATOM 0 HG21 THR A 71 63.390 -6.462 -9.893 1.00 0.00 H new ATOM 0 HG22 THR A 71 64.312 -7.525 -8.804 1.00 0.00 H new ATOM 0 HG23 THR A 71 62.852 -8.136 -9.618 1.00 0.00 H new ATOM 1135 N LEU A 72 62.408 -7.613 -4.563 1.00 0.00 N ATOM 1136 CA LEU A 72 61.903 -7.177 -3.275 1.00 0.00 C ATOM 1137 C LEU A 72 62.366 -5.765 -2.925 1.00 0.00 C ATOM 1138 O LEU A 72 61.926 -5.206 -1.920 1.00 0.00 O ATOM 1139 CB LEU A 72 62.383 -8.153 -2.197 1.00 0.00 C ATOM 1140 CG LEU A 72 61.708 -9.530 -2.355 1.00 0.00 C ATOM 1141 CD1 LEU A 72 60.197 -9.423 -2.091 1.00 0.00 C ATOM 1142 CD2 LEU A 72 61.942 -10.097 -3.766 1.00 0.00 C ATOM 0 H LEU A 72 63.302 -8.103 -4.523 1.00 0.00 H new ATOM 0 HA LEU A 72 60.814 -7.162 -3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 72 63.465 -8.266 -2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 72 62.162 -7.747 -1.210 1.00 0.00 H new ATOM 0 HG LEU A 72 62.154 -10.205 -1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 72 59.737 -10.404 -2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 72 60.030 -9.061 -1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 72 59.752 -8.727 -2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 72 61.456 -11.069 -3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 72 61.524 -9.415 -4.506 1.00 0.00 H new ATOM 0 HD23 LEU A 72 63.012 -10.209 -3.940 1.00 0.00 H new ATOM 1154 N LEU A 73 63.255 -5.182 -3.730 1.00 0.00 N ATOM 1155 CA LEU A 73 63.740 -3.829 -3.432 1.00 0.00 C ATOM 1156 C LEU A 73 64.685 -3.323 -4.532 1.00 0.00 C ATOM 1157 O LEU A 73 65.497 -4.083 -5.060 1.00 0.00 O ATOM 1158 CB LEU A 73 64.476 -3.837 -2.058 1.00 0.00 C ATOM 1159 CG LEU A 73 64.069 -2.639 -1.188 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.611 -2.841 0.229 1.00 0.00 C ATOM 1161 CD2 LEU A 73 64.654 -1.351 -1.770 1.00 0.00 C ATOM 0 H LEU A 73 63.646 -5.608 -4.570 1.00 0.00 H new ATOM 0 HA LEU A 73 62.885 -3.154 -3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 73 64.250 -4.763 -1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 73 65.553 -3.818 -2.222 1.00 0.00 H new ATOM 0 HG LEU A 73 62.982 -2.563 -1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 73 64.325 -1.993 0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 73 64.196 -3.757 0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 73 65.698 -2.917 0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 73 64.361 -0.505 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 73 65.741 -1.424 -1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 73 64.277 -1.205 -2.782 1.00 0.00 H new ATOM 1173 N GLN A 74 64.594 -2.026 -4.846 1.00 0.00 N ATOM 1174 CA GLN A 74 65.468 -1.416 -5.856 1.00 0.00 C ATOM 1175 C GLN A 74 66.535 -0.590 -5.151 1.00 0.00 C ATOM 1176 O GLN A 74 66.225 0.249 -4.306 1.00 0.00 O ATOM 1177 CB GLN A 74 64.657 -0.520 -6.792 1.00 0.00 C ATOM 1178 CG GLN A 74 65.569 0.056 -7.882 1.00 0.00 C ATOM 1179 CD GLN A 74 64.756 0.937 -8.824 1.00 0.00 C ATOM 1180 OE1 GLN A 74 63.939 1.739 -8.373 1.00 0.00 O ATOM 1181 NE2 GLN A 74 64.930 0.834 -10.113 1.00 0.00 N ATOM 0 H GLN A 74 63.929 -1.381 -4.419 1.00 0.00 H new ATOM 0 HA GLN A 74 65.936 -2.202 -6.449 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.848 -1.092 -7.247 1.00 0.00 H new ATOM 0 HB3 GLN A 74 64.196 0.289 -6.226 1.00 0.00 H new ATOM 0 HG2 GLN A 74 66.371 0.637 -7.428 1.00 0.00 H new ATOM 0 HG3 GLN A 74 66.039 -0.753 -8.441 1.00 0.00 H new ATOM 0 HE21 GLN A 74 65.608 0.168 -10.485 1.00 0.00 H new ATOM 0 HE22 GLN A 74 64.388 1.419 -10.749 1.00 0.00 H new ATOM 1190 N ILE A 75 67.797 -0.861 -5.476 1.00 0.00 N ATOM 1191 CA ILE A 75 68.923 -0.168 -4.838 1.00 0.00 C ATOM 1192 C ILE A 75 69.880 0.412 -5.873 1.00 0.00 C ATOM 1193 O ILE A 75 70.349 -0.288 -6.770 1.00 0.00 O ATOM 1194 CB ILE A 75 69.666 -1.169 -3.948 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.731 -1.658 -2.822 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.908 -0.517 -3.325 1.00 0.00 C ATOM 1197 CD1 ILE A 75 69.240 -2.992 -2.271 1.00 0.00 C ATOM 0 H ILE A 75 68.069 -1.553 -6.175 1.00 0.00 H new ATOM 0 HA ILE A 75 68.538 0.662 -4.245 1.00 0.00 H new ATOM 0 HB ILE A 75 69.978 -2.013 -4.563 1.00 0.00 H new ATOM 0 HG12 ILE A 75 68.688 -0.917 -2.024 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.717 -1.774 -3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 75 71.423 -1.243 -2.696 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.579 -0.182 -4.116 1.00 0.00 H new ATOM 0 HG23 ILE A 75 70.605 0.337 -2.720 1.00 0.00 H new ATOM 0 HD11 ILE A 75 68.577 -3.334 -1.476 1.00 0.00 H new ATOM 0 HD12 ILE A 75 69.260 -3.732 -3.071 1.00 0.00 H new ATOM 0 HD13 ILE A 75 70.246 -2.861 -1.873 1.00 0.00 H new ATOM 1209 N ASP A 76 70.176 1.700 -5.720 1.00 0.00 N ATOM 1210 CA ASP A 76 71.093 2.396 -6.620 1.00 0.00 C ATOM 1211 C ASP A 76 72.464 2.536 -5.967 1.00 0.00 C ATOM 1212 O ASP A 76 72.623 3.280 -4.999 1.00 0.00 O ATOM 1213 CB ASP A 76 70.548 3.789 -6.938 1.00 0.00 C ATOM 1214 CG ASP A 76 69.273 3.673 -7.765 1.00 0.00 C ATOM 1215 OD1 ASP A 76 68.966 2.573 -8.192 1.00 0.00 O ATOM 1216 OD2 ASP A 76 68.618 4.686 -7.953 1.00 0.00 O ATOM 0 H ASP A 76 69.793 2.286 -4.978 1.00 0.00 H new ATOM 0 HA ASP A 76 71.186 1.817 -7.539 1.00 0.00 H new ATOM 0 HB2 ASP A 76 70.344 4.329 -6.013 1.00 0.00 H new ATOM 0 HB3 ASP A 76 71.295 4.365 -7.485 1.00 0.00 H new ATOM 1221 N THR A 77 73.452 1.823 -6.495 1.00 0.00 N ATOM 1222 CA THR A 77 74.799 1.890 -5.940 1.00 0.00 C ATOM 1223 C THR A 77 75.261 3.341 -5.842 1.00 0.00 C ATOM 1224 O THR A 77 76.320 3.569 -5.282 1.00 0.00 O ATOM 1225 CB THR A 77 75.772 1.103 -6.820 1.00 0.00 C ATOM 1226 OG1 THR A 77 77.091 1.261 -6.321 1.00 0.00 O ATOM 1227 CG2 THR A 77 75.702 1.629 -8.255 1.00 0.00 C ATOM 1228 OXT THR A 77 74.548 4.202 -6.329 1.00 0.00 O ATOM 0 H THR A 77 73.349 1.200 -7.296 1.00 0.00 H new ATOM 0 HA THR A 77 74.782 1.453 -4.942 1.00 0.00 H new ATOM 0 HB THR A 77 75.502 0.047 -6.808 1.00 0.00 H new ATOM 0 HG1 THR A 77 77.115 2.011 -5.690 1.00 0.00 H new ATOM 0 HG21 THR A 77 76.395 1.068 -8.882 1.00 0.00 H new ATOM 0 HG22 THR A 77 74.688 1.509 -8.637 1.00 0.00 H new ATOM 0 HG23 THR A 77 75.973 2.685 -8.269 1.00 0.00 H new