USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 678 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 Single : A 1 GLY N :NH3+ -116:sc= 0.0836 (180deg=0) USER MOD Single : A 2 SER OG : rot -7:sc= 0.835 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -98:sc= 0.35 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0.0838 USER MOD Single : A 29 HIS : no HD1:sc= -1.34 X(o=-1.3,f=-1.2) USER MOD Single : A 30 THR OG1 : rot -167:sc= -3.29 USER MOD Single : A 35 THR OG1 : rot 180:sc= -1.47 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 68:sc= 0.726 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN :FLIP amide:sc= -8.87! C(o=-9.4!,f=-8.9!) USER MOD Single : A 60 GLN : amide:sc= -0.0696 K(o=-0.07,f=-1.1) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0.303 K(o=0.3,f=-3.3!) USER MOD Single : A 65 MET CE :methyl -118:sc= -2.57 (180deg=-11!) USER MOD Single : A 67 HIS : no HE2:sc= -0.182 X(o=-0.18,f=-0.29) USER MOD Single : A 71 GLN : amide:sc= -1.32 K(o=-1.3,f=-5.2!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 83:sc= -4.07! USER MOD Single : A 79 SER OG : rot -160:sc=-0.000478 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 22:sc= 0.273 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.163 28.275 8.304 1.00 0.00 N ATOM 2 CA GLY A 1 6.852 26.876 8.545 1.00 0.00 C ATOM 3 C GLY A 1 5.397 26.568 8.189 1.00 0.00 C ATOM 4 O GLY A 1 4.576 27.477 8.077 1.00 0.00 O ATOM 0 H1 GLY A 1 7.883 28.347 7.557 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.302 28.775 8.004 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.527 28.705 9.178 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.516 26.245 7.954 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.033 26.635 9.593 1.00 0.00 H new ATOM 8 N SER A 2 5.121 25.283 8.020 1.00 0.00 N ATOM 9 CA SER A 2 3.779 24.844 7.679 1.00 0.00 C ATOM 10 C SER A 2 3.729 23.317 7.610 1.00 0.00 C ATOM 11 O SER A 2 4.353 22.711 6.740 1.00 0.00 O ATOM 12 CB SER A 2 3.322 25.451 6.350 1.00 0.00 C ATOM 13 OG SER A 2 3.811 24.715 5.232 1.00 0.00 O ATOM 0 H SER A 2 5.805 24.532 8.113 1.00 0.00 H new ATOM 0 HA SER A 2 3.099 25.188 8.458 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.233 25.477 6.319 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.668 26.483 6.284 1.00 0.00 H new ATOM 0 HG SER A 2 4.443 24.032 5.541 1.00 0.00 H new ATOM 19 N SER A 3 2.982 22.738 8.538 1.00 0.00 N ATOM 20 CA SER A 3 2.843 21.293 8.594 1.00 0.00 C ATOM 21 C SER A 3 1.470 20.878 8.061 1.00 0.00 C ATOM 22 O SER A 3 0.492 20.856 8.807 1.00 0.00 O ATOM 23 CB SER A 3 3.037 20.775 10.021 1.00 0.00 C ATOM 24 OG SER A 3 4.411 20.755 10.398 1.00 0.00 O ATOM 0 H SER A 3 2.466 23.244 9.258 1.00 0.00 H new ATOM 0 HA SER A 3 3.618 20.851 7.968 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.480 21.405 10.714 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.624 19.769 10.101 1.00 0.00 H new ATOM 0 HG SER A 3 4.494 20.420 11.315 1.00 0.00 H new ATOM 30 N GLY A 4 1.441 20.560 6.776 1.00 0.00 N ATOM 31 CA GLY A 4 0.204 20.147 6.135 1.00 0.00 C ATOM 32 C GLY A 4 0.429 18.923 5.244 1.00 0.00 C ATOM 33 O GLY A 4 0.911 17.892 5.711 1.00 0.00 O ATOM 0 H GLY A 4 2.254 20.580 6.161 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.543 19.916 6.894 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.192 20.968 5.537 1.00 0.00 H new ATOM 37 N SER A 5 0.070 19.078 3.979 1.00 0.00 N ATOM 38 CA SER A 5 0.227 17.999 3.019 1.00 0.00 C ATOM 39 C SER A 5 -0.574 16.776 3.471 1.00 0.00 C ATOM 40 O SER A 5 -0.243 16.150 4.476 1.00 0.00 O ATOM 41 CB SER A 5 1.701 17.632 2.839 1.00 0.00 C ATOM 42 OG SER A 5 2.119 17.749 1.482 1.00 0.00 O ATOM 0 H SER A 5 -0.329 19.935 3.596 1.00 0.00 H new ATOM 0 HA SER A 5 -0.154 18.339 2.056 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.315 18.280 3.464 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.865 16.610 3.182 1.00 0.00 H new ATOM 0 HG SER A 5 3.066 17.508 1.409 1.00 0.00 H new ATOM 48 N SER A 6 -1.612 16.472 2.706 1.00 0.00 N ATOM 49 CA SER A 6 -2.463 15.335 3.015 1.00 0.00 C ATOM 50 C SER A 6 -1.872 14.060 2.411 1.00 0.00 C ATOM 51 O SER A 6 -1.179 14.113 1.396 1.00 0.00 O ATOM 52 CB SER A 6 -3.886 15.556 2.500 1.00 0.00 C ATOM 53 OG SER A 6 -4.858 14.930 3.333 1.00 0.00 O ATOM 0 H SER A 6 -1.883 16.993 1.872 1.00 0.00 H new ATOM 0 HA SER A 6 -2.511 15.228 4.099 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.090 16.625 2.445 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.970 15.163 1.487 1.00 0.00 H new ATOM 0 HG SER A 6 -5.113 14.067 2.946 1.00 0.00 H new ATOM 59 N GLY A 7 -2.167 12.944 3.060 1.00 0.00 N ATOM 60 CA GLY A 7 -1.674 11.657 2.600 1.00 0.00 C ATOM 61 C GLY A 7 -0.948 10.914 3.723 1.00 0.00 C ATOM 62 O GLY A 7 -0.062 11.472 4.369 1.00 0.00 O ATOM 0 H GLY A 7 -2.742 12.904 3.902 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.506 11.053 2.238 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.997 11.803 1.759 1.00 0.00 H new ATOM 66 N LEU A 8 -1.349 9.667 3.920 1.00 0.00 N ATOM 67 CA LEU A 8 -0.748 8.842 4.954 1.00 0.00 C ATOM 68 C LEU A 8 -0.002 7.677 4.301 1.00 0.00 C ATOM 69 O LEU A 8 -0.292 7.308 3.164 1.00 0.00 O ATOM 70 CB LEU A 8 -1.803 8.403 5.971 1.00 0.00 C ATOM 71 CG LEU A 8 -1.782 6.925 6.365 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.407 6.716 7.746 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.454 6.063 5.295 1.00 0.00 C ATOM 0 H LEU A 8 -2.083 9.208 3.381 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.013 9.416 5.519 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.679 9.001 6.874 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.788 8.637 5.567 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.742 6.604 6.431 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.379 5.657 8.001 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.846 7.283 8.489 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.442 7.059 7.733 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.425 5.017 5.600 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.491 6.377 5.173 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.925 6.180 4.349 1.00 0.00 H new ATOM 85 N THR A 9 0.946 7.130 5.049 1.00 0.00 N ATOM 86 CA THR A 9 1.736 6.014 4.557 1.00 0.00 C ATOM 87 C THR A 9 1.516 4.778 5.431 1.00 0.00 C ATOM 88 O THR A 9 1.067 4.891 6.570 1.00 0.00 O ATOM 89 CB THR A 9 3.198 6.461 4.494 1.00 0.00 C ATOM 90 OG1 THR A 9 3.165 7.644 3.700 1.00 0.00 O ATOM 91 CG2 THR A 9 4.071 5.496 3.689 1.00 0.00 C ATOM 0 H THR A 9 1.184 7.439 5.991 1.00 0.00 H new ATOM 0 HA THR A 9 1.426 5.723 3.553 1.00 0.00 H new ATOM 0 HB THR A 9 3.594 6.551 5.505 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.073 8.002 3.609 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.098 5.860 3.676 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.042 4.508 4.149 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.696 5.431 2.668 1.00 0.00 H new ATOM 99 N VAL A 10 1.842 3.626 4.864 1.00 0.00 N ATOM 100 CA VAL A 10 1.685 2.370 5.577 1.00 0.00 C ATOM 101 C VAL A 10 3.061 1.736 5.793 1.00 0.00 C ATOM 102 O VAL A 10 3.988 1.978 5.021 1.00 0.00 O ATOM 103 CB VAL A 10 0.717 1.456 4.822 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.320 0.252 5.678 1.00 0.00 C ATOM 105 CG2 VAL A 10 -0.518 2.230 4.358 1.00 0.00 C ATOM 0 H VAL A 10 2.214 3.536 3.919 1.00 0.00 H new ATOM 0 HA VAL A 10 1.248 2.541 6.561 1.00 0.00 H new ATOM 0 HB VAL A 10 1.231 1.082 3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.368 -0.381 5.118 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.211 -0.320 5.937 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.166 0.598 6.590 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.190 1.558 3.824 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.033 2.646 5.224 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.212 3.039 3.695 1.00 0.00 H new ATOM 115 N ASP A 11 3.150 0.936 6.845 1.00 0.00 N ATOM 116 CA ASP A 11 4.397 0.265 7.171 1.00 0.00 C ATOM 117 C ASP A 11 4.121 -1.217 7.433 1.00 0.00 C ATOM 118 O ASP A 11 3.858 -1.612 8.568 1.00 0.00 O ATOM 119 CB ASP A 11 5.028 0.858 8.433 1.00 0.00 C ATOM 120 CG ASP A 11 4.034 1.442 9.440 1.00 0.00 C ATOM 121 OD1 ASP A 11 3.281 0.635 10.027 1.00 0.00 O ATOM 122 OD2 ASP A 11 4.050 2.681 9.599 1.00 0.00 O ATOM 0 H ASP A 11 2.379 0.737 7.483 1.00 0.00 H new ATOM 0 HA ASP A 11 5.079 0.395 6.331 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.611 0.082 8.929 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.726 1.641 8.138 1.00 0.00 H new ATOM 127 N VAL A 12 4.190 -1.997 6.364 1.00 0.00 N ATOM 128 CA VAL A 12 3.950 -3.426 6.464 1.00 0.00 C ATOM 129 C VAL A 12 5.229 -4.122 6.935 1.00 0.00 C ATOM 130 O VAL A 12 6.327 -3.600 6.750 1.00 0.00 O ATOM 131 CB VAL A 12 3.434 -3.965 5.128 1.00 0.00 C ATOM 132 CG1 VAL A 12 2.742 -5.317 5.313 1.00 0.00 C ATOM 133 CG2 VAL A 12 2.499 -2.958 4.455 1.00 0.00 C ATOM 0 H VAL A 12 4.409 -1.666 5.424 1.00 0.00 H new ATOM 0 HA VAL A 12 3.176 -3.632 7.203 1.00 0.00 H new ATOM 0 HB VAL A 12 4.292 -4.115 4.473 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.385 -5.678 4.349 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.450 -6.034 5.729 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.898 -5.204 5.993 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.147 -3.366 3.508 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.646 -2.762 5.105 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.037 -2.028 4.272 1.00 0.00 H new ATOM 143 N ALA A 13 5.043 -5.288 7.535 1.00 0.00 N ATOM 144 CA ALA A 13 6.169 -6.060 8.034 1.00 0.00 C ATOM 145 C ALA A 13 6.261 -7.377 7.262 1.00 0.00 C ATOM 146 O ALA A 13 5.514 -8.316 7.536 1.00 0.00 O ATOM 147 CB ALA A 13 6.011 -6.278 9.541 1.00 0.00 C ATOM 0 H ALA A 13 4.130 -5.717 7.687 1.00 0.00 H new ATOM 0 HA ALA A 13 7.103 -5.520 7.878 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.855 -6.857 9.915 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.980 -5.313 10.047 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.085 -6.820 9.735 1.00 0.00 H new ATOM 153 N GLY A 14 7.183 -7.406 6.311 1.00 0.00 N ATOM 154 CA GLY A 14 7.382 -8.592 5.497 1.00 0.00 C ATOM 155 C GLY A 14 7.707 -9.807 6.368 1.00 0.00 C ATOM 156 O GLY A 14 7.619 -9.738 7.593 1.00 0.00 O ATOM 0 H GLY A 14 7.801 -6.626 6.086 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.485 -8.790 4.911 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.193 -8.420 4.790 1.00 0.00 H new ATOM 160 N PRO A 15 8.084 -10.921 5.684 1.00 0.00 N ATOM 161 CA PRO A 15 8.162 -10.918 4.233 1.00 0.00 C ATOM 162 C PRO A 15 6.766 -10.966 3.610 1.00 0.00 C ATOM 163 O PRO A 15 5.767 -10.761 4.298 1.00 0.00 O ATOM 164 CB PRO A 15 9.012 -12.128 3.882 1.00 0.00 C ATOM 165 CG PRO A 15 8.990 -13.023 5.111 1.00 0.00 C ATOM 166 CD PRO A 15 8.446 -12.207 6.272 1.00 0.00 C ATOM 0 HA PRO A 15 8.609 -10.006 3.837 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.611 -12.648 3.013 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.031 -11.831 3.633 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.366 -13.899 4.934 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.993 -13.387 5.337 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.582 -12.692 6.726 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.193 -12.087 7.056 1.00 0.00 H new ATOM 174 N ALA A 16 6.741 -11.239 2.313 1.00 0.00 N ATOM 175 CA ALA A 16 5.483 -11.317 1.589 1.00 0.00 C ATOM 176 C ALA A 16 4.915 -12.733 1.713 1.00 0.00 C ATOM 177 O ALA A 16 5.625 -13.658 2.106 1.00 0.00 O ATOM 178 CB ALA A 16 5.706 -10.904 0.133 1.00 0.00 C ATOM 0 H ALA A 16 7.571 -11.409 1.745 1.00 0.00 H new ATOM 0 HA ALA A 16 4.752 -10.630 2.015 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.763 -10.962 -0.410 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.082 -9.882 0.098 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.432 -11.573 -0.328 1.00 0.00 H new ATOM 184 N PRO A 17 3.608 -12.860 1.362 1.00 0.00 N ATOM 185 CA PRO A 17 2.840 -11.714 0.907 1.00 0.00 C ATOM 186 C PRO A 17 2.472 -10.800 2.078 1.00 0.00 C ATOM 187 O PRO A 17 2.814 -11.087 3.224 1.00 0.00 O ATOM 188 CB PRO A 17 1.625 -12.305 0.210 1.00 0.00 C ATOM 189 CG PRO A 17 1.519 -13.739 0.703 1.00 0.00 C ATOM 190 CD PRO A 17 2.829 -14.095 1.388 1.00 0.00 C ATOM 0 HA PRO A 17 3.402 -11.076 0.225 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.724 -11.741 0.451 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.741 -12.272 -0.873 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.685 -13.843 1.397 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.328 -14.416 -0.130 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.662 -14.436 2.410 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.344 -14.900 0.863 1.00 0.00 H new ATOM 198 N TRP A 18 1.780 -9.719 1.749 1.00 0.00 N ATOM 199 CA TRP A 18 1.362 -8.762 2.760 1.00 0.00 C ATOM 200 C TRP A 18 0.005 -9.212 3.304 1.00 0.00 C ATOM 201 O TRP A 18 -0.166 -9.356 4.514 1.00 0.00 O ATOM 202 CB TRP A 18 1.337 -7.342 2.193 1.00 0.00 C ATOM 203 CG TRP A 18 2.559 -6.990 1.342 1.00 0.00 C ATOM 204 CD1 TRP A 18 2.606 -6.751 0.024 1.00 0.00 C ATOM 205 CD2 TRP A 18 3.918 -6.846 1.807 1.00 0.00 C ATOM 206 NE1 TRP A 18 3.890 -6.465 -0.393 1.00 0.00 N ATOM 207 CE2 TRP A 18 4.713 -6.525 0.726 1.00 0.00 C ATOM 208 CE3 TRP A 18 4.457 -6.983 3.098 1.00 0.00 C ATOM 209 CZ2 TRP A 18 6.094 -6.313 0.825 1.00 0.00 C ATOM 210 CZ3 TRP A 18 5.838 -6.768 3.181 1.00 0.00 C ATOM 211 CH2 TRP A 18 6.653 -6.444 2.102 1.00 0.00 C ATOM 0 H TRP A 18 1.498 -9.485 0.797 1.00 0.00 H new ATOM 0 HA TRP A 18 2.076 -8.734 3.583 1.00 0.00 H new ATOM 0 HB2 TRP A 18 0.438 -7.219 1.588 1.00 0.00 H new ATOM 0 HB3 TRP A 18 1.265 -6.633 3.018 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.747 -6.779 -0.630 1.00 0.00 H new ATOM 0 HE1 TRP A 18 4.182 -6.249 -1.346 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.854 -7.234 3.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.695 -6.062 -0.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 6.303 -6.860 4.151 1.00 0.00 H new ATOM 0 HH2 TRP A 18 7.712 -6.294 2.248 1.00 0.00 H new ATOM 222 N GLY A 19 -0.926 -9.422 2.385 1.00 0.00 N ATOM 223 CA GLY A 19 -2.263 -9.853 2.757 1.00 0.00 C ATOM 224 C GLY A 19 -3.308 -8.815 2.344 1.00 0.00 C ATOM 225 O GLY A 19 -4.326 -8.653 3.015 1.00 0.00 O ATOM 0 H GLY A 19 -0.781 -9.302 1.383 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.486 -10.808 2.282 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.311 -10.014 3.834 1.00 0.00 H new ATOM 229 N PHE A 20 -3.021 -8.139 1.241 1.00 0.00 N ATOM 230 CA PHE A 20 -3.923 -7.122 0.730 1.00 0.00 C ATOM 231 C PHE A 20 -3.920 -7.104 -0.800 1.00 0.00 C ATOM 232 O PHE A 20 -2.908 -7.416 -1.426 1.00 0.00 O ATOM 233 CB PHE A 20 -3.415 -5.774 1.244 1.00 0.00 C ATOM 234 CG PHE A 20 -2.163 -5.266 0.527 1.00 0.00 C ATOM 235 CD1 PHE A 20 -2.265 -4.716 -0.713 1.00 0.00 C ATOM 236 CD2 PHE A 20 -0.947 -5.365 1.129 1.00 0.00 C ATOM 237 CE1 PHE A 20 -1.102 -4.245 -1.378 1.00 0.00 C ATOM 238 CE2 PHE A 20 0.215 -4.894 0.464 1.00 0.00 C ATOM 239 CZ PHE A 20 0.113 -4.344 -0.776 1.00 0.00 C ATOM 0 H PHE A 20 -2.176 -8.276 0.687 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.941 -7.327 1.062 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.208 -5.034 1.137 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.201 -5.860 2.309 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.230 -4.638 -1.192 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.866 -5.802 2.113 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.183 -3.808 -2.362 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.180 -4.972 0.942 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.997 -3.986 -1.282 1.00 0.00 H new ATOM 249 N ARG A 21 -5.064 -6.737 -1.358 1.00 0.00 N ATOM 250 CA ARG A 21 -5.206 -6.675 -2.803 1.00 0.00 C ATOM 251 C ARG A 21 -5.316 -5.220 -3.264 1.00 0.00 C ATOM 252 O ARG A 21 -5.228 -4.300 -2.452 1.00 0.00 O ATOM 253 CB ARG A 21 -6.444 -7.445 -3.269 1.00 0.00 C ATOM 254 CG ARG A 21 -6.168 -8.949 -3.316 1.00 0.00 C ATOM 255 CD ARG A 21 -7.334 -9.700 -3.962 1.00 0.00 C ATOM 256 NE ARG A 21 -6.904 -11.059 -4.357 1.00 0.00 N ATOM 257 CZ ARG A 21 -7.669 -11.920 -5.043 1.00 0.00 C ATOM 258 NH1 ARG A 21 -8.908 -11.567 -5.412 1.00 0.00 N ATOM 259 NH2 ARG A 21 -7.195 -13.133 -5.358 1.00 0.00 N ATOM 0 H ARG A 21 -5.901 -6.479 -0.836 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.320 -7.133 -3.243 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.276 -7.245 -2.594 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.744 -7.095 -4.257 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.253 -9.137 -3.878 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.004 -9.324 -2.306 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.169 -9.762 -3.264 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.690 -9.154 -4.836 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.967 -11.360 -4.091 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.268 -10.644 -5.171 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.491 -12.222 -5.934 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.252 -13.401 -5.076 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.777 -13.788 -5.880 1.00 0.00 H new ATOM 273 N ILE A 22 -5.506 -5.057 -4.565 1.00 0.00 N ATOM 274 CA ILE A 22 -5.628 -3.730 -5.143 1.00 0.00 C ATOM 275 C ILE A 22 -6.533 -3.796 -6.375 1.00 0.00 C ATOM 276 O ILE A 22 -6.914 -4.881 -6.812 1.00 0.00 O ATOM 277 CB ILE A 22 -4.246 -3.139 -5.427 1.00 0.00 C ATOM 278 CG1 ILE A 22 -3.422 -4.074 -6.315 1.00 0.00 C ATOM 279 CG2 ILE A 22 -3.518 -2.797 -4.125 1.00 0.00 C ATOM 280 CD1 ILE A 22 -2.241 -3.332 -6.944 1.00 0.00 C ATOM 0 H ILE A 22 -5.578 -5.822 -5.235 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.101 -3.049 -4.435 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.379 -2.207 -5.976 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.056 -4.914 -5.724 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.055 -4.488 -7.099 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.538 -2.379 -4.355 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.101 -2.068 -3.563 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.395 -3.701 -3.528 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.672 -4.019 -7.570 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.612 -2.508 -7.553 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.597 -2.940 -6.157 1.00 0.00 H new ATOM 292 N SER A 23 -6.851 -2.622 -6.900 1.00 0.00 N ATOM 293 CA SER A 23 -7.704 -2.534 -8.073 1.00 0.00 C ATOM 294 C SER A 23 -7.247 -1.379 -8.966 1.00 0.00 C ATOM 295 O SER A 23 -6.261 -0.708 -8.664 1.00 0.00 O ATOM 296 CB SER A 23 -9.170 -2.349 -7.675 1.00 0.00 C ATOM 297 OG SER A 23 -10.054 -2.601 -8.764 1.00 0.00 O ATOM 0 H SER A 23 -6.533 -1.724 -6.535 1.00 0.00 H new ATOM 0 HA SER A 23 -7.621 -3.469 -8.627 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.410 -3.021 -6.851 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.322 -1.332 -7.312 1.00 0.00 H new ATOM 0 HG SER A 23 -10.980 -2.474 -8.470 1.00 0.00 H new ATOM 303 N GLY A 24 -7.985 -1.182 -10.049 1.00 0.00 N ATOM 304 CA GLY A 24 -7.668 -0.120 -10.988 1.00 0.00 C ATOM 305 C GLY A 24 -6.218 -0.226 -11.467 1.00 0.00 C ATOM 306 O GLY A 24 -5.755 -1.310 -11.818 1.00 0.00 O ATOM 0 H GLY A 24 -8.802 -1.740 -10.297 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.342 -0.173 -11.843 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.829 0.849 -10.515 1.00 0.00 H new ATOM 310 N GLY A 25 -5.543 0.914 -11.465 1.00 0.00 N ATOM 311 CA GLY A 25 -4.156 0.963 -11.895 1.00 0.00 C ATOM 312 C GLY A 25 -4.008 1.783 -13.178 1.00 0.00 C ATOM 313 O GLY A 25 -4.986 2.331 -13.685 1.00 0.00 O ATOM 0 H GLY A 25 -5.931 1.811 -11.172 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.543 1.400 -11.107 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.787 -0.049 -12.062 1.00 0.00 H new ATOM 317 N ARG A 26 -2.778 1.841 -13.667 1.00 0.00 N ATOM 318 CA ARG A 26 -2.490 2.585 -14.881 1.00 0.00 C ATOM 319 C ARG A 26 -3.158 1.917 -16.085 1.00 0.00 C ATOM 320 O ARG A 26 -3.635 2.598 -16.992 1.00 0.00 O ATOM 321 CB ARG A 26 -0.982 2.673 -15.128 1.00 0.00 C ATOM 322 CG ARG A 26 -0.686 3.303 -16.491 1.00 0.00 C ATOM 323 CD ARG A 26 -1.022 4.795 -16.490 1.00 0.00 C ATOM 324 NE ARG A 26 -2.040 5.085 -17.524 1.00 0.00 N ATOM 325 CZ ARG A 26 -2.584 6.294 -17.725 1.00 0.00 C ATOM 326 NH1 ARG A 26 -2.210 7.331 -16.965 1.00 0.00 N ATOM 327 NH2 ARG A 26 -3.501 6.464 -18.687 1.00 0.00 N ATOM 0 H ARG A 26 -1.970 1.385 -13.244 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.886 3.592 -14.754 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.515 3.264 -14.341 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.543 1.676 -15.081 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.366 3.164 -16.739 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.265 2.797 -17.263 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.393 5.092 -15.509 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.122 5.379 -16.680 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.347 4.317 -18.121 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.511 7.201 -16.233 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -2.624 8.251 -17.118 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -3.785 5.674 -19.266 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.915 7.384 -18.840 1.00 0.00 H new ATOM 341 N ASP A 27 -3.173 0.592 -16.053 1.00 0.00 N ATOM 342 CA ASP A 27 -3.776 -0.175 -17.130 1.00 0.00 C ATOM 343 C ASP A 27 -5.258 0.188 -17.241 1.00 0.00 C ATOM 344 O ASP A 27 -5.792 0.301 -18.344 1.00 0.00 O ATOM 345 CB ASP A 27 -3.676 -1.677 -16.858 1.00 0.00 C ATOM 346 CG ASP A 27 -3.670 -2.561 -18.107 1.00 0.00 C ATOM 347 OD1 ASP A 27 -4.132 -2.064 -19.157 1.00 0.00 O ATOM 348 OD2 ASP A 27 -3.203 -3.714 -17.984 1.00 0.00 O ATOM 0 H ASP A 27 -2.778 0.031 -15.299 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.244 0.061 -18.052 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.765 -1.869 -16.291 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.513 -1.973 -16.226 1.00 0.00 H new ATOM 353 N PHE A 28 -5.881 0.360 -16.085 1.00 0.00 N ATOM 354 CA PHE A 28 -7.291 0.708 -16.039 1.00 0.00 C ATOM 355 C PHE A 28 -7.478 2.221 -15.911 1.00 0.00 C ATOM 356 O PHE A 28 -8.582 2.692 -15.640 1.00 0.00 O ATOM 357 CB PHE A 28 -7.879 0.027 -14.801 1.00 0.00 C ATOM 358 CG PHE A 28 -7.945 -1.499 -14.903 1.00 0.00 C ATOM 359 CD1 PHE A 28 -6.838 -2.246 -14.645 1.00 0.00 C ATOM 360 CD2 PHE A 28 -9.111 -2.107 -15.251 1.00 0.00 C ATOM 361 CE1 PHE A 28 -6.900 -3.661 -14.739 1.00 0.00 C ATOM 362 CE2 PHE A 28 -9.172 -3.523 -15.345 1.00 0.00 C ATOM 363 CZ PHE A 28 -8.065 -4.270 -15.087 1.00 0.00 C ATOM 0 H PHE A 28 -5.435 0.265 -15.172 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.785 0.384 -16.955 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.280 0.297 -13.931 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -8.884 0.413 -14.629 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.912 -1.763 -14.369 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -9.990 -1.513 -15.456 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -6.021 -4.254 -14.534 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.097 -4.006 -15.621 1.00 0.00 H new ATOM 0 HZ PHE A 28 -8.111 -5.347 -15.159 1.00 0.00 H new ATOM 373 N HIS A 29 -6.384 2.940 -16.113 1.00 0.00 N ATOM 374 CA HIS A 29 -6.414 4.390 -16.024 1.00 0.00 C ATOM 375 C HIS A 29 -7.060 4.809 -14.702 1.00 0.00 C ATOM 376 O HIS A 29 -7.551 5.930 -14.575 1.00 0.00 O ATOM 377 CB HIS A 29 -7.113 4.994 -17.243 1.00 0.00 C ATOM 378 CG HIS A 29 -6.586 4.490 -18.566 1.00 0.00 C ATOM 379 ND1 HIS A 29 -6.164 5.336 -19.576 1.00 0.00 N ATOM 380 CD2 HIS A 29 -6.418 3.219 -19.031 1.00 0.00 C ATOM 381 CE1 HIS A 29 -5.762 4.596 -20.600 1.00 0.00 C ATOM 382 NE2 HIS A 29 -5.921 3.285 -20.260 1.00 0.00 N ATOM 0 H HIS A 29 -5.471 2.545 -16.338 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.396 4.780 -16.031 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.179 4.777 -17.182 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.006 6.078 -17.210 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.650 2.313 -18.491 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.376 4.966 -21.538 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -5.695 2.486 -20.853 1.00 0.00 H new ATOM 390 N THR A 30 -7.039 3.887 -13.751 1.00 0.00 N ATOM 391 CA THR A 30 -7.616 4.147 -12.443 1.00 0.00 C ATOM 392 C THR A 30 -6.537 4.083 -11.361 1.00 0.00 C ATOM 393 O THR A 30 -5.487 3.474 -11.562 1.00 0.00 O ATOM 394 CB THR A 30 -8.757 3.152 -12.223 1.00 0.00 C ATOM 395 OG1 THR A 30 -8.283 1.945 -12.814 1.00 0.00 O ATOM 396 CG2 THR A 30 -10.004 3.500 -13.038 1.00 0.00 C ATOM 0 H THR A 30 -6.631 2.958 -13.860 1.00 0.00 H new ATOM 0 HA THR A 30 -8.029 5.154 -12.386 1.00 0.00 H new ATOM 0 HB THR A 30 -9.013 3.122 -11.164 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.025 1.311 -12.903 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.783 2.762 -12.845 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.362 4.489 -12.751 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.757 3.497 -14.100 1.00 0.00 H new ATOM 404 N PRO A 31 -6.840 4.736 -10.207 1.00 0.00 N ATOM 405 CA PRO A 31 -5.907 4.759 -9.093 1.00 0.00 C ATOM 406 C PRO A 31 -5.888 3.413 -8.367 1.00 0.00 C ATOM 407 O PRO A 31 -6.925 2.766 -8.223 1.00 0.00 O ATOM 408 CB PRO A 31 -6.377 5.904 -8.211 1.00 0.00 C ATOM 409 CG PRO A 31 -7.816 6.180 -8.616 1.00 0.00 C ATOM 410 CD PRO A 31 -8.073 5.468 -9.934 1.00 0.00 C ATOM 0 HA PRO A 31 -4.876 4.916 -9.410 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.313 5.636 -7.156 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.755 6.788 -8.354 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.504 5.824 -7.849 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.984 7.252 -8.722 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.926 4.793 -9.860 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.297 6.178 -10.730 1.00 0.00 H new ATOM 418 N ILE A 32 -4.698 3.030 -7.927 1.00 0.00 N ATOM 419 CA ILE A 32 -4.530 1.773 -7.219 1.00 0.00 C ATOM 420 C ILE A 32 -5.267 1.845 -5.880 1.00 0.00 C ATOM 421 O ILE A 32 -4.805 2.502 -4.948 1.00 0.00 O ATOM 422 CB ILE A 32 -3.046 1.426 -7.087 1.00 0.00 C ATOM 423 CG1 ILE A 32 -2.373 1.367 -8.460 1.00 0.00 C ATOM 424 CG2 ILE A 32 -2.854 0.129 -6.298 1.00 0.00 C ATOM 425 CD1 ILE A 32 -2.297 -0.072 -8.972 1.00 0.00 C ATOM 0 H ILE A 32 -3.841 3.569 -8.048 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.975 0.954 -7.785 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.558 2.221 -6.523 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.930 1.980 -9.169 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.369 1.787 -8.395 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.790 -0.095 -6.219 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.276 0.245 -5.300 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.359 -0.688 -6.813 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.814 -0.085 -9.949 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.719 -0.677 -8.273 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.304 -0.481 -9.059 1.00 0.00 H new ATOM 437 N ILE A 33 -6.400 1.160 -5.826 1.00 0.00 N ATOM 438 CA ILE A 33 -7.204 1.138 -4.616 1.00 0.00 C ATOM 439 C ILE A 33 -7.217 -0.280 -4.043 1.00 0.00 C ATOM 440 O ILE A 33 -7.200 -1.256 -4.792 1.00 0.00 O ATOM 441 CB ILE A 33 -8.599 1.703 -4.890 1.00 0.00 C ATOM 442 CG1 ILE A 33 -8.536 3.206 -5.174 1.00 0.00 C ATOM 443 CG2 ILE A 33 -9.558 1.376 -3.744 1.00 0.00 C ATOM 444 CD1 ILE A 33 -9.360 3.565 -6.413 1.00 0.00 C ATOM 0 H ILE A 33 -6.780 0.616 -6.601 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.766 1.785 -3.856 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.992 1.222 -5.786 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.909 3.759 -4.312 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.499 3.509 -5.322 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.542 1.789 -3.964 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.635 0.295 -3.632 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.181 1.811 -2.819 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.298 4.638 -6.593 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.969 3.029 -7.278 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -10.401 3.283 -6.252 1.00 0.00 H new ATOM 456 N VAL A 34 -7.248 -0.350 -2.721 1.00 0.00 N ATOM 457 CA VAL A 34 -7.263 -1.633 -2.039 1.00 0.00 C ATOM 458 C VAL A 34 -8.679 -2.210 -2.080 1.00 0.00 C ATOM 459 O VAL A 34 -9.652 -1.495 -1.847 1.00 0.00 O ATOM 460 CB VAL A 34 -6.723 -1.475 -0.616 1.00 0.00 C ATOM 461 CG1 VAL A 34 -6.800 -2.798 0.149 1.00 0.00 C ATOM 462 CG2 VAL A 34 -5.293 -0.933 -0.629 1.00 0.00 C ATOM 0 H VAL A 34 -7.263 0.461 -2.103 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.608 -2.342 -2.544 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.351 -0.750 -0.098 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.410 -2.658 1.157 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.838 -3.127 0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.207 -3.552 -0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.934 -0.830 0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.647 -1.623 -1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.277 0.041 -1.118 1.00 0.00 H new ATOM 472 N THR A 35 -8.749 -3.500 -2.379 1.00 0.00 N ATOM 473 CA THR A 35 -10.030 -4.181 -2.454 1.00 0.00 C ATOM 474 C THR A 35 -10.313 -4.930 -1.150 1.00 0.00 C ATOM 475 O THR A 35 -11.382 -4.778 -0.562 1.00 0.00 O ATOM 476 CB THR A 35 -10.010 -5.090 -3.684 1.00 0.00 C ATOM 477 OG1 THR A 35 -9.058 -6.099 -3.356 1.00 0.00 O ATOM 478 CG2 THR A 35 -9.414 -4.400 -4.913 1.00 0.00 C ATOM 0 H THR A 35 -7.940 -4.090 -2.572 1.00 0.00 H new ATOM 0 HA THR A 35 -10.849 -3.471 -2.569 1.00 0.00 H new ATOM 0 HB THR A 35 -11.025 -5.418 -3.909 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.984 -6.733 -4.100 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.424 -5.089 -5.758 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.006 -3.518 -5.158 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.388 -4.101 -4.700 1.00 0.00 H new ATOM 486 N LYS A 36 -9.335 -5.723 -0.736 1.00 0.00 N ATOM 487 CA LYS A 36 -9.466 -6.496 0.488 1.00 0.00 C ATOM 488 C LYS A 36 -8.237 -6.259 1.368 1.00 0.00 C ATOM 489 O LYS A 36 -7.192 -5.832 0.880 1.00 0.00 O ATOM 490 CB LYS A 36 -9.717 -7.970 0.166 1.00 0.00 C ATOM 491 CG LYS A 36 -11.024 -8.454 0.796 1.00 0.00 C ATOM 492 CD LYS A 36 -10.882 -9.882 1.326 1.00 0.00 C ATOM 493 CE LYS A 36 -11.184 -9.944 2.825 1.00 0.00 C ATOM 494 NZ LYS A 36 -11.137 -11.343 3.306 1.00 0.00 N ATOM 0 H LYS A 36 -8.449 -5.847 -1.226 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.335 -6.166 1.057 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.757 -8.108 -0.914 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.887 -8.573 0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.308 -7.787 1.610 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.824 -8.415 0.057 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.561 -10.543 0.787 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.871 -10.244 1.140 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.460 -9.340 3.373 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.168 -9.519 3.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.344 -11.367 4.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.844 -11.910 2.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.190 -11.737 3.136 1.00 0.00 H new ATOM 508 N VAL A 37 -8.403 -6.548 2.651 1.00 0.00 N ATOM 509 CA VAL A 37 -7.321 -6.372 3.604 1.00 0.00 C ATOM 510 C VAL A 37 -7.361 -7.506 4.630 1.00 0.00 C ATOM 511 O VAL A 37 -8.292 -7.592 5.429 1.00 0.00 O ATOM 512 CB VAL A 37 -7.407 -4.984 4.243 1.00 0.00 C ATOM 513 CG1 VAL A 37 -6.339 -4.812 5.326 1.00 0.00 C ATOM 514 CG2 VAL A 37 -7.297 -3.885 3.184 1.00 0.00 C ATOM 0 H VAL A 37 -9.271 -6.903 3.052 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.356 -6.424 3.100 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.384 -4.894 4.719 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.422 -3.817 5.764 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.484 -5.564 6.102 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.350 -4.932 4.884 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.361 -2.909 3.665 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.342 -3.973 2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.110 -3.990 2.465 1.00 0.00 H new ATOM 524 N THR A 38 -6.340 -8.348 4.574 1.00 0.00 N ATOM 525 CA THR A 38 -6.247 -9.473 5.489 1.00 0.00 C ATOM 526 C THR A 38 -6.376 -8.996 6.937 1.00 0.00 C ATOM 527 O THR A 38 -5.588 -8.169 7.394 1.00 0.00 O ATOM 528 CB THR A 38 -4.934 -10.205 5.205 1.00 0.00 C ATOM 529 OG1 THR A 38 -5.110 -10.742 3.897 1.00 0.00 O ATOM 530 CG2 THR A 38 -4.748 -11.439 6.091 1.00 0.00 C ATOM 0 H THR A 38 -5.570 -8.274 3.909 1.00 0.00 H new ATOM 0 HA THR A 38 -7.067 -10.175 5.338 1.00 0.00 H new ATOM 0 HB THR A 38 -4.099 -9.521 5.354 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.136 -10.011 3.244 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.801 -11.921 5.849 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.744 -11.138 7.138 1.00 0.00 H new ATOM 0 HG23 THR A 38 -5.566 -12.138 5.918 1.00 0.00 H new ATOM 538 N GLU A 39 -7.374 -9.538 7.618 1.00 0.00 N ATOM 539 CA GLU A 39 -7.617 -9.177 9.004 1.00 0.00 C ATOM 540 C GLU A 39 -6.459 -9.650 9.886 1.00 0.00 C ATOM 541 O GLU A 39 -5.857 -10.690 9.621 1.00 0.00 O ATOM 542 CB GLU A 39 -8.948 -9.750 9.495 1.00 0.00 C ATOM 543 CG GLU A 39 -9.617 -8.804 10.494 1.00 0.00 C ATOM 544 CD GLU A 39 -11.001 -9.318 10.895 1.00 0.00 C ATOM 545 OE1 GLU A 39 -11.053 -10.444 11.437 1.00 0.00 O ATOM 546 OE2 GLU A 39 -11.976 -8.575 10.650 1.00 0.00 O ATOM 0 H GLU A 39 -8.024 -10.225 7.236 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.680 -8.091 9.070 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.611 -9.917 8.646 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.780 -10.720 9.964 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.991 -8.705 11.381 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.708 -7.811 10.055 1.00 0.00 H new ATOM 553 N ARG A 40 -6.181 -8.863 10.915 1.00 0.00 N ATOM 554 CA ARG A 40 -5.106 -9.188 11.837 1.00 0.00 C ATOM 555 C ARG A 40 -3.919 -9.785 11.078 1.00 0.00 C ATOM 556 O ARG A 40 -3.190 -10.618 11.615 1.00 0.00 O ATOM 557 CB ARG A 40 -5.575 -10.183 12.901 1.00 0.00 C ATOM 558 CG ARG A 40 -6.581 -9.533 13.854 1.00 0.00 C ATOM 559 CD ARG A 40 -5.924 -9.187 15.192 1.00 0.00 C ATOM 560 NE ARG A 40 -6.660 -8.082 15.846 1.00 0.00 N ATOM 561 CZ ARG A 40 -6.266 -7.485 16.979 1.00 0.00 C ATOM 562 NH1 ARG A 40 -5.142 -7.883 17.590 1.00 0.00 N ATOM 563 NH2 ARG A 40 -6.997 -6.490 17.500 1.00 0.00 N ATOM 0 H ARG A 40 -6.682 -8.001 11.131 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.800 -8.265 12.329 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.031 -11.048 12.419 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.717 -10.548 13.466 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.986 -8.629 13.399 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.419 -10.210 14.021 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.916 -10.063 15.840 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.885 -8.899 15.033 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.521 -7.755 15.407 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.586 -8.640 17.193 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.842 -7.429 18.452 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.853 -6.188 17.034 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.698 -6.035 18.362 1.00 0.00 H new ATOM 577 N GLY A 41 -3.761 -9.336 9.842 1.00 0.00 N ATOM 578 CA GLY A 41 -2.675 -9.815 9.004 1.00 0.00 C ATOM 579 C GLY A 41 -1.451 -8.905 9.120 1.00 0.00 C ATOM 580 O GLY A 41 -1.213 -8.308 10.169 1.00 0.00 O ATOM 0 H GLY A 41 -4.367 -8.645 9.400 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.407 -10.830 9.295 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.004 -9.858 7.966 1.00 0.00 H new ATOM 584 N LYS A 42 -0.706 -8.826 8.027 1.00 0.00 N ATOM 585 CA LYS A 42 0.488 -7.999 7.993 1.00 0.00 C ATOM 586 C LYS A 42 0.113 -6.589 7.532 1.00 0.00 C ATOM 587 O LYS A 42 0.778 -5.618 7.888 1.00 0.00 O ATOM 588 CB LYS A 42 1.572 -8.657 7.137 1.00 0.00 C ATOM 589 CG LYS A 42 1.926 -10.045 7.674 1.00 0.00 C ATOM 590 CD LYS A 42 3.438 -10.278 7.636 1.00 0.00 C ATOM 591 CE LYS A 42 3.759 -11.746 7.349 1.00 0.00 C ATOM 592 NZ LYS A 42 4.301 -12.404 8.559 1.00 0.00 N ATOM 0 H LYS A 42 -0.906 -9.321 7.158 1.00 0.00 H new ATOM 0 HA LYS A 42 0.915 -7.906 8.991 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.227 -8.739 6.106 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.463 -8.029 7.126 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.564 -10.146 8.697 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.422 -10.808 7.081 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.888 -9.647 6.869 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.879 -9.985 8.589 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.858 -12.264 7.019 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.482 -11.814 6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.514 -13.400 8.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.172 -11.920 8.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.599 -12.355 9.325 1.00 0.00 H new ATOM 606 N ALA A 43 -0.952 -6.521 6.746 1.00 0.00 N ATOM 607 CA ALA A 43 -1.424 -5.246 6.233 1.00 0.00 C ATOM 608 C ALA A 43 -2.205 -4.518 7.329 1.00 0.00 C ATOM 609 O ALA A 43 -1.721 -3.540 7.897 1.00 0.00 O ATOM 610 CB ALA A 43 -2.264 -5.481 4.976 1.00 0.00 C ATOM 0 H ALA A 43 -1.501 -7.329 6.452 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.584 -4.611 5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.618 -4.525 4.591 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.655 -5.974 4.218 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.118 -6.112 5.222 1.00 0.00 H new ATOM 616 N GLU A 44 -3.402 -5.022 7.593 1.00 0.00 N ATOM 617 CA GLU A 44 -4.255 -4.432 8.610 1.00 0.00 C ATOM 618 C GLU A 44 -3.435 -4.086 9.855 1.00 0.00 C ATOM 619 O GLU A 44 -3.770 -3.153 10.583 1.00 0.00 O ATOM 620 CB GLU A 44 -5.417 -5.364 8.960 1.00 0.00 C ATOM 621 CG GLU A 44 -6.483 -4.629 9.774 1.00 0.00 C ATOM 622 CD GLU A 44 -7.805 -5.400 9.769 1.00 0.00 C ATOM 623 OE1 GLU A 44 -8.386 -5.523 8.669 1.00 0.00 O ATOM 624 OE2 GLU A 44 -8.204 -5.850 10.865 1.00 0.00 O ATOM 0 H GLU A 44 -3.801 -5.833 7.120 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.679 -3.511 8.211 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.860 -5.758 8.045 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.045 -6.217 9.527 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.137 -4.499 10.800 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.638 -3.632 9.361 1.00 0.00 H new ATOM 631 N ALA A 45 -2.378 -4.857 10.061 1.00 0.00 N ATOM 632 CA ALA A 45 -1.508 -4.644 11.205 1.00 0.00 C ATOM 633 C ALA A 45 -0.912 -3.237 11.132 1.00 0.00 C ATOM 634 O ALA A 45 -1.039 -2.455 12.073 1.00 0.00 O ATOM 635 CB ALA A 45 -0.433 -5.732 11.239 1.00 0.00 C ATOM 0 H ALA A 45 -2.104 -5.630 9.455 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.072 -4.715 12.135 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.220 -5.572 12.097 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.907 -6.710 11.321 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.156 -5.690 10.323 1.00 0.00 H new ATOM 641 N ALA A 46 -0.273 -2.958 10.005 1.00 0.00 N ATOM 642 CA ALA A 46 0.343 -1.658 9.797 1.00 0.00 C ATOM 643 C ALA A 46 -0.730 -0.571 9.875 1.00 0.00 C ATOM 644 O ALA A 46 -0.787 0.182 10.846 1.00 0.00 O ATOM 645 CB ALA A 46 1.082 -1.653 8.457 1.00 0.00 C ATOM 0 H ALA A 46 -0.169 -3.609 9.227 1.00 0.00 H new ATOM 0 HA ALA A 46 1.077 -1.452 10.576 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.544 -0.678 8.300 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.853 -2.423 8.464 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.376 -1.854 7.651 1.00 0.00 H new ATOM 651 N ASP A 47 -1.555 -0.523 8.839 1.00 0.00 N ATOM 652 CA ASP A 47 -2.624 0.460 8.778 1.00 0.00 C ATOM 653 C ASP A 47 -3.135 0.563 7.340 1.00 0.00 C ATOM 654 O ASP A 47 -3.314 1.663 6.819 1.00 0.00 O ATOM 655 CB ASP A 47 -2.125 1.842 9.204 1.00 0.00 C ATOM 656 CG ASP A 47 -0.757 2.237 8.644 1.00 0.00 C ATOM 657 OD1 ASP A 47 0.247 1.899 9.308 1.00 0.00 O ATOM 658 OD2 ASP A 47 -0.745 2.867 7.565 1.00 0.00 O ATOM 0 H ASP A 47 -1.505 -1.149 8.035 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.417 0.139 9.453 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.857 2.588 8.893 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.079 1.875 10.293 1.00 0.00 H new ATOM 663 N LEU A 48 -3.355 -0.597 6.739 1.00 0.00 N ATOM 664 CA LEU A 48 -3.841 -0.651 5.371 1.00 0.00 C ATOM 665 C LEU A 48 -5.318 -1.052 5.375 1.00 0.00 C ATOM 666 O LEU A 48 -5.694 -2.042 6.001 1.00 0.00 O ATOM 667 CB LEU A 48 -2.957 -1.568 4.524 1.00 0.00 C ATOM 668 CG LEU A 48 -3.162 -1.486 3.010 1.00 0.00 C ATOM 669 CD1 LEU A 48 -2.805 -0.094 2.482 1.00 0.00 C ATOM 670 CD2 LEU A 48 -2.384 -2.589 2.290 1.00 0.00 C ATOM 0 H LEU A 48 -3.206 -1.507 7.175 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.778 0.332 4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.914 -1.338 4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.129 -2.597 4.839 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.219 -1.649 2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.960 -0.063 1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.440 0.651 2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.760 0.123 2.705 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.547 -2.507 1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.321 -2.483 2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.729 -3.563 2.637 1.00 0.00 H new ATOM 682 N ARG A 49 -6.114 -0.263 4.670 1.00 0.00 N ATOM 683 CA ARG A 49 -7.541 -0.524 4.584 1.00 0.00 C ATOM 684 C ARG A 49 -7.986 -0.569 3.120 1.00 0.00 C ATOM 685 O ARG A 49 -7.335 0.011 2.252 1.00 0.00 O ATOM 686 CB ARG A 49 -8.343 0.551 5.320 1.00 0.00 C ATOM 687 CG ARG A 49 -8.932 0.001 6.621 1.00 0.00 C ATOM 688 CD ARG A 49 -9.495 1.129 7.488 1.00 0.00 C ATOM 689 NE ARG A 49 -9.294 0.814 8.920 1.00 0.00 N ATOM 690 CZ ARG A 49 -9.713 1.594 9.926 1.00 0.00 C ATOM 691 NH1 ARG A 49 -10.358 2.738 9.663 1.00 0.00 N ATOM 692 NH2 ARG A 49 -9.486 1.229 11.196 1.00 0.00 N ATOM 0 H ARG A 49 -5.798 0.558 4.153 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.730 -1.489 5.055 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.700 1.403 5.539 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.146 0.914 4.678 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.721 -0.716 6.393 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.162 -0.538 7.174 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.002 2.069 7.241 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.557 1.262 7.282 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.806 -0.050 9.156 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.530 3.016 8.697 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.677 3.331 10.429 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.995 0.358 11.396 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.805 1.822 11.962 1.00 0.00 H new ATOM 706 N PRO A 50 -9.120 -1.282 2.886 1.00 0.00 N ATOM 707 CA PRO A 50 -9.659 -1.410 1.543 1.00 0.00 C ATOM 708 C PRO A 50 -10.340 -0.114 1.099 1.00 0.00 C ATOM 709 O PRO A 50 -11.274 0.354 1.749 1.00 0.00 O ATOM 710 CB PRO A 50 -10.615 -2.589 1.613 1.00 0.00 C ATOM 711 CG PRO A 50 -10.928 -2.785 3.088 1.00 0.00 C ATOM 712 CD PRO A 50 -9.916 -1.982 3.889 1.00 0.00 C ATOM 0 HA PRO A 50 -8.886 -1.585 0.795 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.523 -2.390 1.044 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.162 -3.485 1.187 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -11.942 -2.452 3.311 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.874 -3.841 3.353 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.410 -1.281 4.562 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.294 -2.631 4.505 1.00 0.00 H new ATOM 720 N GLY A 51 -9.847 0.430 -0.004 1.00 0.00 N ATOM 721 CA GLY A 51 -10.397 1.662 -0.541 1.00 0.00 C ATOM 722 C GLY A 51 -9.315 2.737 -0.664 1.00 0.00 C ATOM 723 O GLY A 51 -9.384 3.595 -1.544 1.00 0.00 O ATOM 0 H GLY A 51 -9.072 0.040 -0.540 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.838 1.472 -1.519 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.198 2.019 0.106 1.00 0.00 H new ATOM 727 N ASP A 52 -8.341 2.656 0.230 1.00 0.00 N ATOM 728 CA ASP A 52 -7.246 3.612 0.233 1.00 0.00 C ATOM 729 C ASP A 52 -6.636 3.686 -1.168 1.00 0.00 C ATOM 730 O ASP A 52 -6.504 2.668 -1.846 1.00 0.00 O ATOM 731 CB ASP A 52 -6.145 3.185 1.206 1.00 0.00 C ATOM 732 CG ASP A 52 -6.538 3.224 2.684 1.00 0.00 C ATOM 733 OD1 ASP A 52 -7.160 2.236 3.132 1.00 0.00 O ATOM 734 OD2 ASP A 52 -6.208 4.240 3.333 1.00 0.00 O ATOM 0 H ASP A 52 -8.287 1.943 0.958 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.643 4.579 0.540 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.832 2.171 0.955 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.280 3.831 1.058 1.00 0.00 H new ATOM 739 N ILE A 53 -6.281 4.900 -1.561 1.00 0.00 N ATOM 740 CA ILE A 53 -5.688 5.120 -2.869 1.00 0.00 C ATOM 741 C ILE A 53 -4.165 5.171 -2.732 1.00 0.00 C ATOM 742 O ILE A 53 -3.628 6.046 -2.055 1.00 0.00 O ATOM 743 CB ILE A 53 -6.288 6.365 -3.527 1.00 0.00 C ATOM 744 CG1 ILE A 53 -7.773 6.160 -3.835 1.00 0.00 C ATOM 745 CG2 ILE A 53 -5.494 6.764 -4.772 1.00 0.00 C ATOM 746 CD1 ILE A 53 -8.440 7.482 -4.223 1.00 0.00 C ATOM 0 H ILE A 53 -6.393 5.742 -0.996 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.921 4.291 -3.537 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.217 7.193 -2.821 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.884 5.441 -4.646 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.274 5.738 -2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.941 7.651 -5.220 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.463 6.980 -4.492 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.511 5.946 -5.492 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.495 7.308 -4.437 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.348 8.191 -3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.952 7.889 -5.109 1.00 0.00 H new ATOM 758 N ILE A 54 -3.512 4.222 -3.386 1.00 0.00 N ATOM 759 CA ILE A 54 -2.062 4.147 -3.345 1.00 0.00 C ATOM 760 C ILE A 54 -1.474 5.258 -4.218 1.00 0.00 C ATOM 761 O ILE A 54 -1.597 5.221 -5.442 1.00 0.00 O ATOM 762 CB ILE A 54 -1.586 2.745 -3.731 1.00 0.00 C ATOM 763 CG1 ILE A 54 -1.692 1.785 -2.545 1.00 0.00 C ATOM 764 CG2 ILE A 54 -0.171 2.786 -4.311 1.00 0.00 C ATOM 765 CD1 ILE A 54 -1.505 0.334 -2.995 1.00 0.00 C ATOM 0 H ILE A 54 -3.961 3.498 -3.947 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.701 4.312 -2.330 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.243 2.365 -4.513 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.938 2.038 -1.799 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.665 1.899 -2.066 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.143 1.777 -4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.161 3.415 -5.201 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.515 3.195 -3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.585 -0.328 -2.132 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.275 0.077 -3.722 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.522 0.218 -3.451 1.00 0.00 H new ATOM 777 N VAL A 55 -0.847 6.219 -3.555 1.00 0.00 N ATOM 778 CA VAL A 55 -0.240 7.338 -4.256 1.00 0.00 C ATOM 779 C VAL A 55 1.110 6.903 -4.828 1.00 0.00 C ATOM 780 O VAL A 55 1.409 7.167 -5.992 1.00 0.00 O ATOM 781 CB VAL A 55 -0.133 8.544 -3.321 1.00 0.00 C ATOM 782 CG1 VAL A 55 -0.181 9.854 -4.109 1.00 0.00 C ATOM 783 CG2 VAL A 55 -1.225 8.507 -2.250 1.00 0.00 C ATOM 0 H VAL A 55 -0.746 6.246 -2.540 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.863 7.648 -5.095 1.00 0.00 H new ATOM 0 HB VAL A 55 0.832 8.492 -2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.103 10.696 -3.421 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.649 9.885 -4.815 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.123 9.917 -4.654 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.126 9.376 -1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.204 8.522 -2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.124 7.597 -1.659 1.00 0.00 H new ATOM 793 N ALA A 56 1.890 6.244 -3.984 1.00 0.00 N ATOM 794 CA ALA A 56 3.202 5.770 -4.392 1.00 0.00 C ATOM 795 C ALA A 56 3.461 4.397 -3.767 1.00 0.00 C ATOM 796 O ALA A 56 2.627 3.884 -3.022 1.00 0.00 O ATOM 797 CB ALA A 56 4.263 6.799 -3.996 1.00 0.00 C ATOM 0 H ALA A 56 1.639 6.027 -3.019 1.00 0.00 H new ATOM 0 HA ALA A 56 3.248 5.654 -5.475 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.247 6.443 -4.302 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.051 7.748 -4.488 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.248 6.940 -2.915 1.00 0.00 H new ATOM 803 N ILE A 57 4.619 3.843 -4.094 1.00 0.00 N ATOM 804 CA ILE A 57 4.997 2.540 -3.574 1.00 0.00 C ATOM 805 C ILE A 57 6.456 2.583 -3.114 1.00 0.00 C ATOM 806 O ILE A 57 7.371 2.548 -3.935 1.00 0.00 O ATOM 807 CB ILE A 57 4.710 1.447 -4.606 1.00 0.00 C ATOM 808 CG1 ILE A 57 3.204 1.234 -4.774 1.00 0.00 C ATOM 809 CG2 ILE A 57 5.436 0.149 -4.247 1.00 0.00 C ATOM 810 CD1 ILE A 57 2.915 0.220 -5.883 1.00 0.00 C ATOM 0 H ILE A 57 5.308 4.272 -4.712 1.00 0.00 H new ATOM 0 HA ILE A 57 4.394 2.289 -2.701 1.00 0.00 H new ATOM 0 HB ILE A 57 5.098 1.777 -5.570 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.775 0.884 -3.835 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.723 2.183 -5.009 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.215 -0.611 -4.997 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.511 0.329 -4.219 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.100 -0.197 -3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.838 0.087 -5.982 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.324 0.585 -6.825 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.377 -0.735 -5.633 1.00 0.00 H new ATOM 822 N ASN A 58 6.627 2.658 -1.802 1.00 0.00 N ATOM 823 CA ASN A 58 7.959 2.707 -1.223 1.00 0.00 C ATOM 824 C ASN A 58 8.519 4.124 -1.361 1.00 0.00 C ATOM 825 O ASN A 58 9.664 4.381 -0.993 1.00 0.00 O ATOM 826 CB ASN A 58 8.909 1.750 -1.946 1.00 0.00 C ATOM 827 CG ASN A 58 8.170 0.498 -2.422 1.00 0.00 C ATOM 828 OD1 ASN A 58 7.452 -0.099 -1.475 1.00 0.00 O flip ATOM 829 ND2 ASN A 58 8.246 0.101 -3.573 1.00 0.00 N flip ATOM 0 H ASN A 58 5.866 2.686 -1.124 1.00 0.00 H new ATOM 0 HA ASN A 58 7.882 2.416 -0.175 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.361 2.256 -2.799 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.721 1.465 -1.278 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.816 0.607 -4.251 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.740 -0.737 -3.858 1.00 0.00 H new ATOM 836 N GLY A 59 7.686 5.006 -1.893 1.00 0.00 N ATOM 837 CA GLY A 59 8.084 6.391 -2.084 1.00 0.00 C ATOM 838 C GLY A 59 8.065 6.767 -3.567 1.00 0.00 C ATOM 839 O GLY A 59 8.303 7.920 -3.921 1.00 0.00 O ATOM 0 H GLY A 59 6.737 4.789 -2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.411 7.046 -1.530 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.084 6.545 -1.679 1.00 0.00 H new ATOM 843 N GLN A 60 7.779 5.771 -4.393 1.00 0.00 N ATOM 844 CA GLN A 60 7.726 5.983 -5.830 1.00 0.00 C ATOM 845 C GLN A 60 6.274 6.127 -6.292 1.00 0.00 C ATOM 846 O GLN A 60 5.424 5.310 -5.941 1.00 0.00 O ATOM 847 CB GLN A 60 8.430 4.849 -6.578 1.00 0.00 C ATOM 848 CG GLN A 60 7.987 4.800 -8.041 1.00 0.00 C ATOM 849 CD GLN A 60 9.116 4.290 -8.939 1.00 0.00 C ATOM 850 OE1 GLN A 60 10.118 3.764 -8.482 1.00 0.00 O ATOM 851 NE2 GLN A 60 8.900 4.474 -10.238 1.00 0.00 N ATOM 0 H GLN A 60 7.582 4.816 -4.095 1.00 0.00 H new ATOM 0 HA GLN A 60 8.254 6.908 -6.061 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.510 4.989 -6.526 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.208 3.897 -6.095 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.117 4.150 -8.140 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.681 5.794 -8.365 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.039 4.921 -10.554 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.595 4.168 -10.919 1.00 0.00 H new ATOM 860 N SER A 61 6.036 7.171 -7.072 1.00 0.00 N ATOM 861 CA SER A 61 4.702 7.432 -7.586 1.00 0.00 C ATOM 862 C SER A 61 4.027 6.117 -7.983 1.00 0.00 C ATOM 863 O SER A 61 4.696 5.178 -8.411 1.00 0.00 O ATOM 864 CB SER A 61 4.749 8.387 -8.780 1.00 0.00 C ATOM 865 OG SER A 61 5.860 8.122 -9.632 1.00 0.00 O ATOM 0 H SER A 61 6.744 7.846 -7.361 1.00 0.00 H new ATOM 0 HA SER A 61 4.119 7.908 -6.798 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.825 8.299 -9.351 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.805 9.414 -8.420 1.00 0.00 H new ATOM 0 HG SER A 61 5.854 8.751 -10.383 1.00 0.00 H new ATOM 871 N ALA A 62 2.712 6.093 -7.827 1.00 0.00 N ATOM 872 CA ALA A 62 1.940 4.909 -8.164 1.00 0.00 C ATOM 873 C ALA A 62 0.728 5.318 -9.003 1.00 0.00 C ATOM 874 O ALA A 62 -0.175 4.514 -9.229 1.00 0.00 O ATOM 875 CB ALA A 62 1.541 4.177 -6.881 1.00 0.00 C ATOM 0 H ALA A 62 2.161 6.875 -7.472 1.00 0.00 H new ATOM 0 HA ALA A 62 2.536 4.219 -8.761 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.962 3.289 -7.134 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.438 3.882 -6.336 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.938 4.838 -6.258 1.00 0.00 H new ATOM 881 N GLU A 63 0.747 6.567 -9.443 1.00 0.00 N ATOM 882 CA GLU A 63 -0.339 7.093 -10.253 1.00 0.00 C ATOM 883 C GLU A 63 -0.417 6.344 -11.585 1.00 0.00 C ATOM 884 O GLU A 63 -1.501 5.957 -12.021 1.00 0.00 O ATOM 885 CB GLU A 63 -0.177 8.597 -10.478 1.00 0.00 C ATOM 886 CG GLU A 63 -1.266 9.382 -9.744 1.00 0.00 C ATOM 887 CD GLU A 63 -2.329 9.890 -10.721 1.00 0.00 C ATOM 888 OE1 GLU A 63 -2.064 10.934 -11.355 1.00 0.00 O ATOM 889 OE2 GLU A 63 -3.382 9.222 -10.811 1.00 0.00 O ATOM 0 H GLU A 63 1.498 7.231 -9.254 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.275 6.939 -9.716 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.805 8.917 -10.129 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.223 8.816 -11.545 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.733 8.747 -8.991 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.819 10.225 -9.217 1.00 0.00 H new ATOM 896 N ASN A 64 0.745 6.163 -12.195 1.00 0.00 N ATOM 897 CA ASN A 64 0.821 5.468 -13.469 1.00 0.00 C ATOM 898 C ASN A 64 1.460 4.094 -13.258 1.00 0.00 C ATOM 899 O ASN A 64 2.502 3.794 -13.838 1.00 0.00 O ATOM 900 CB ASN A 64 1.683 6.242 -14.468 1.00 0.00 C ATOM 901 CG ASN A 64 1.186 7.681 -14.622 1.00 0.00 C ATOM 902 OD1 ASN A 64 0.132 7.944 -15.178 1.00 0.00 O ATOM 903 ND2 ASN A 64 2.001 8.593 -14.101 1.00 0.00 N ATOM 0 H ASN A 64 1.642 6.485 -11.831 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.191 5.374 -13.863 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.720 6.246 -14.133 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.663 5.741 -15.436 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.759 9.582 -14.153 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.868 8.303 -13.649 1.00 0.00 H new ATOM 910 N MET A 65 0.809 3.295 -12.425 1.00 0.00 N ATOM 911 CA MET A 65 1.301 1.960 -12.130 1.00 0.00 C ATOM 912 C MET A 65 0.297 0.895 -12.576 1.00 0.00 C ATOM 913 O MET A 65 -0.795 0.794 -12.020 1.00 0.00 O ATOM 914 CB MET A 65 1.550 1.829 -10.626 1.00 0.00 C ATOM 915 CG MET A 65 2.997 2.183 -10.277 1.00 0.00 C ATOM 916 SD MET A 65 3.331 1.773 -8.572 1.00 0.00 S ATOM 917 CE MET A 65 5.014 2.353 -8.438 1.00 0.00 C ATOM 0 H MET A 65 -0.055 3.547 -11.945 1.00 0.00 H new ATOM 0 HA MET A 65 2.232 1.807 -12.676 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.870 2.485 -10.083 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.334 0.810 -10.305 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.681 1.641 -10.931 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.171 3.246 -10.445 1.00 0.00 H new ATOM 0 HE1 MET A 65 5.670 1.515 -8.205 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.320 2.802 -9.383 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.080 3.097 -7.644 1.00 0.00 H new ATOM 927 N LEU A 66 0.704 0.128 -13.577 1.00 0.00 N ATOM 928 CA LEU A 66 -0.146 -0.926 -14.105 1.00 0.00 C ATOM 929 C LEU A 66 -0.499 -1.902 -12.980 1.00 0.00 C ATOM 930 O LEU A 66 0.281 -2.088 -12.047 1.00 0.00 O ATOM 931 CB LEU A 66 0.515 -1.593 -15.312 1.00 0.00 C ATOM 932 CG LEU A 66 1.037 -0.649 -16.398 1.00 0.00 C ATOM 933 CD1 LEU A 66 2.361 -1.155 -16.974 1.00 0.00 C ATOM 934 CD2 LEU A 66 -0.015 -0.430 -17.486 1.00 0.00 C ATOM 0 H LEU A 66 1.611 0.215 -14.036 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.084 -0.510 -14.474 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.347 -2.200 -14.956 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.205 -2.274 -15.766 1.00 0.00 H new ATOM 0 HG LEU A 66 1.234 0.321 -15.942 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.710 -0.466 -17.743 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.104 -1.217 -16.179 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.214 -2.143 -17.411 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.381 0.244 -18.245 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.267 -1.386 -17.946 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.910 0.007 -17.044 1.00 0.00 H new ATOM 946 N HIS A 67 -1.675 -2.499 -13.106 1.00 0.00 N ATOM 947 CA HIS A 67 -2.141 -3.451 -12.112 1.00 0.00 C ATOM 948 C HIS A 67 -1.060 -4.503 -11.863 1.00 0.00 C ATOM 949 O HIS A 67 -1.039 -5.141 -10.811 1.00 0.00 O ATOM 950 CB HIS A 67 -3.479 -4.063 -12.531 1.00 0.00 C ATOM 951 CG HIS A 67 -4.184 -4.814 -11.427 1.00 0.00 C ATOM 952 ND1 HIS A 67 -5.189 -4.251 -10.660 1.00 0.00 N ATOM 953 CD2 HIS A 67 -4.019 -6.089 -10.970 1.00 0.00 C ATOM 954 CE1 HIS A 67 -5.602 -5.154 -9.783 1.00 0.00 C ATOM 955 NE2 HIS A 67 -4.876 -6.293 -9.977 1.00 0.00 N ATOM 0 H HIS A 67 -2.319 -2.342 -13.881 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.323 -2.937 -11.168 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.133 -3.269 -12.891 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.310 -4.741 -13.368 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.550 -3.302 -10.754 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.311 -6.810 -11.351 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -6.377 -5.013 -9.044 1.00 0.00 H new ATOM 963 N ALA A 68 -0.187 -4.653 -12.848 1.00 0.00 N ATOM 964 CA ALA A 68 0.895 -5.618 -12.749 1.00 0.00 C ATOM 965 C ALA A 68 2.134 -4.931 -12.170 1.00 0.00 C ATOM 966 O ALA A 68 2.960 -5.574 -11.525 1.00 0.00 O ATOM 967 CB ALA A 68 1.160 -6.233 -14.125 1.00 0.00 C ATOM 0 H ALA A 68 -0.207 -4.122 -13.719 1.00 0.00 H new ATOM 0 HA ALA A 68 0.623 -6.431 -12.076 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.972 -6.957 -14.050 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.259 -6.734 -14.479 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.438 -5.447 -14.827 1.00 0.00 H new ATOM 973 N GLU A 69 2.223 -3.633 -12.421 1.00 0.00 N ATOM 974 CA GLU A 69 3.347 -2.852 -11.933 1.00 0.00 C ATOM 975 C GLU A 69 3.278 -2.716 -10.411 1.00 0.00 C ATOM 976 O GLU A 69 4.211 -3.098 -9.707 1.00 0.00 O ATOM 977 CB GLU A 69 3.392 -1.478 -12.604 1.00 0.00 C ATOM 978 CG GLU A 69 3.817 -1.597 -14.069 1.00 0.00 C ATOM 979 CD GLU A 69 5.306 -1.285 -14.235 1.00 0.00 C ATOM 980 OE1 GLU A 69 6.111 -2.022 -13.627 1.00 0.00 O ATOM 981 OE2 GLU A 69 5.604 -0.316 -14.967 1.00 0.00 O ATOM 0 H GLU A 69 1.535 -3.103 -12.956 1.00 0.00 H new ATOM 0 HA GLU A 69 4.267 -3.376 -12.190 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.411 -1.007 -12.543 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.089 -0.832 -12.071 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.610 -2.604 -14.431 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.228 -0.912 -14.679 1.00 0.00 H new ATOM 988 N ALA A 70 2.162 -2.171 -9.947 1.00 0.00 N ATOM 989 CA ALA A 70 1.959 -1.981 -8.521 1.00 0.00 C ATOM 990 C ALA A 70 1.947 -3.343 -7.825 1.00 0.00 C ATOM 991 O ALA A 70 2.317 -3.451 -6.657 1.00 0.00 O ATOM 992 CB ALA A 70 0.666 -1.196 -8.290 1.00 0.00 C ATOM 0 H ALA A 70 1.390 -1.855 -10.534 1.00 0.00 H new ATOM 0 HA ALA A 70 2.775 -1.400 -8.091 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.513 -1.053 -7.220 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.738 -0.225 -8.779 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.175 -1.750 -8.706 1.00 0.00 H new ATOM 998 N GLN A 71 1.517 -4.350 -8.572 1.00 0.00 N ATOM 999 CA GLN A 71 1.452 -5.701 -8.042 1.00 0.00 C ATOM 1000 C GLN A 71 2.856 -6.300 -7.942 1.00 0.00 C ATOM 1001 O GLN A 71 3.172 -6.992 -6.975 1.00 0.00 O ATOM 1002 CB GLN A 71 0.540 -6.582 -8.897 1.00 0.00 C ATOM 1003 CG GLN A 71 -0.930 -6.372 -8.527 1.00 0.00 C ATOM 1004 CD GLN A 71 -1.257 -7.031 -7.186 1.00 0.00 C ATOM 1005 OE1 GLN A 71 -0.589 -6.826 -6.185 1.00 0.00 O ATOM 1006 NE2 GLN A 71 -2.319 -7.830 -7.221 1.00 0.00 N ATOM 0 H GLN A 71 1.210 -4.257 -9.540 1.00 0.00 H new ATOM 0 HA GLN A 71 1.025 -5.657 -7.040 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.690 -6.351 -9.952 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.807 -7.630 -8.759 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.147 -5.305 -8.474 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.568 -6.789 -9.306 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.833 -7.957 -8.093 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.620 -8.316 -6.376 1.00 0.00 H new ATOM 1015 N SER A 72 3.662 -6.012 -8.954 1.00 0.00 N ATOM 1016 CA SER A 72 5.025 -6.514 -8.992 1.00 0.00 C ATOM 1017 C SER A 72 5.893 -5.747 -7.993 1.00 0.00 C ATOM 1018 O SER A 72 6.647 -6.350 -7.230 1.00 0.00 O ATOM 1019 CB SER A 72 5.613 -6.404 -10.400 1.00 0.00 C ATOM 1020 OG SER A 72 6.975 -6.821 -10.444 1.00 0.00 O ATOM 0 H SER A 72 3.397 -5.437 -9.754 1.00 0.00 H new ATOM 0 HA SER A 72 5.009 -7.568 -8.715 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.025 -7.013 -11.087 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.538 -5.373 -10.744 1.00 0.00 H new ATOM 0 HG SER A 72 7.313 -6.737 -11.360 1.00 0.00 H new ATOM 1026 N LYS A 73 5.757 -4.430 -8.028 1.00 0.00 N ATOM 1027 CA LYS A 73 6.520 -3.575 -7.135 1.00 0.00 C ATOM 1028 C LYS A 73 6.240 -3.980 -5.686 1.00 0.00 C ATOM 1029 O LYS A 73 7.168 -4.243 -4.922 1.00 0.00 O ATOM 1030 CB LYS A 73 6.231 -2.101 -7.428 1.00 0.00 C ATOM 1031 CG LYS A 73 7.372 -1.466 -8.225 1.00 0.00 C ATOM 1032 CD LYS A 73 6.838 -0.732 -9.457 1.00 0.00 C ATOM 1033 CE LYS A 73 7.554 0.606 -9.650 1.00 0.00 C ATOM 1034 NZ LYS A 73 8.788 0.424 -10.446 1.00 0.00 N ATOM 0 H LYS A 73 5.130 -3.934 -8.661 1.00 0.00 H new ATOM 0 HA LYS A 73 7.589 -3.706 -7.303 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.300 -2.014 -7.987 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.092 -1.561 -6.491 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.919 -0.769 -7.591 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.078 -2.237 -8.534 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.975 -1.353 -10.342 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.767 -0.563 -9.348 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.891 1.311 -10.152 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.801 1.036 -8.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.261 1.342 -10.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.426 -0.232 -9.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.545 0.034 -11.379 1.00 0.00 H new ATOM 1048 N ILE A 74 4.959 -4.017 -5.352 1.00 0.00 N ATOM 1049 CA ILE A 74 4.546 -4.385 -4.009 1.00 0.00 C ATOM 1050 C ILE A 74 5.103 -5.770 -3.670 1.00 0.00 C ATOM 1051 O ILE A 74 5.610 -5.987 -2.571 1.00 0.00 O ATOM 1052 CB ILE A 74 3.026 -4.283 -3.868 1.00 0.00 C ATOM 1053 CG1 ILE A 74 2.594 -2.835 -3.628 1.00 0.00 C ATOM 1054 CG2 ILE A 74 2.512 -5.224 -2.776 1.00 0.00 C ATOM 1055 CD1 ILE A 74 1.118 -2.638 -3.981 1.00 0.00 C ATOM 0 H ILE A 74 4.193 -3.798 -5.989 1.00 0.00 H new ATOM 0 HA ILE A 74 4.958 -3.687 -3.280 1.00 0.00 H new ATOM 0 HB ILE A 74 2.573 -4.602 -4.807 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.760 -2.570 -2.584 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.208 -2.164 -4.229 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.429 -5.132 -2.696 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.771 -6.252 -3.030 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.970 -4.959 -1.823 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.836 -1.600 -3.801 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.960 -2.880 -5.032 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.505 -3.293 -3.361 1.00 0.00 H new ATOM 1067 N ARG A 75 4.990 -6.670 -4.636 1.00 0.00 N ATOM 1068 CA ARG A 75 5.477 -8.027 -4.454 1.00 0.00 C ATOM 1069 C ARG A 75 7.005 -8.057 -4.519 1.00 0.00 C ATOM 1070 O ARG A 75 7.626 -9.055 -4.158 1.00 0.00 O ATOM 1071 CB ARG A 75 4.909 -8.963 -5.523 1.00 0.00 C ATOM 1072 CG ARG A 75 5.076 -10.428 -5.114 1.00 0.00 C ATOM 1073 CD ARG A 75 4.209 -11.342 -5.982 1.00 0.00 C ATOM 1074 NE ARG A 75 3.838 -12.558 -5.224 1.00 0.00 N ATOM 1075 CZ ARG A 75 2.829 -13.373 -5.560 1.00 0.00 C ATOM 1076 NH1 ARG A 75 2.085 -13.108 -6.642 1.00 0.00 N ATOM 1077 NH2 ARG A 75 2.565 -14.454 -4.813 1.00 0.00 N ATOM 0 H ARG A 75 4.569 -6.486 -5.547 1.00 0.00 H new ATOM 0 HA ARG A 75 5.146 -8.369 -3.474 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.853 -8.744 -5.680 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.415 -8.787 -6.472 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.123 -10.718 -5.207 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.803 -10.550 -4.066 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.310 -10.812 -6.298 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.750 -11.619 -6.887 1.00 0.00 H new ATOM 0 HE ARG A 75 4.384 -12.790 -4.394 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.287 -12.285 -7.211 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.317 -13.729 -6.897 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.132 -14.656 -3.989 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.797 -15.075 -5.068 1.00 0.00 H new ATOM 1091 N GLN A 76 7.567 -6.950 -4.983 1.00 0.00 N ATOM 1092 CA GLN A 76 9.011 -6.837 -5.100 1.00 0.00 C ATOM 1093 C GLN A 76 9.548 -5.829 -4.082 1.00 0.00 C ATOM 1094 O GLN A 76 10.741 -5.528 -4.071 1.00 0.00 O ATOM 1095 CB GLN A 76 9.417 -6.448 -6.523 1.00 0.00 C ATOM 1096 CG GLN A 76 9.080 -7.564 -7.513 1.00 0.00 C ATOM 1097 CD GLN A 76 10.352 -8.232 -8.039 1.00 0.00 C ATOM 1098 OE1 GLN A 76 11.218 -8.655 -7.291 1.00 0.00 O ATOM 1099 NE2 GLN A 76 10.416 -8.304 -9.366 1.00 0.00 N ATOM 0 H GLN A 76 7.049 -6.124 -5.282 1.00 0.00 H new ATOM 0 HA GLN A 76 9.451 -7.811 -4.885 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.904 -5.532 -6.814 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.486 -6.239 -6.556 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.449 -8.308 -7.027 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.508 -7.156 -8.346 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.656 -7.930 -9.934 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.225 -8.733 -9.815 1.00 0.00 H new ATOM 1108 N SER A 77 8.642 -5.335 -3.251 1.00 0.00 N ATOM 1109 CA SER A 77 9.011 -4.367 -2.231 1.00 0.00 C ATOM 1110 C SER A 77 9.696 -5.076 -1.061 1.00 0.00 C ATOM 1111 O SER A 77 9.367 -6.217 -0.742 1.00 0.00 O ATOM 1112 CB SER A 77 7.786 -3.593 -1.739 1.00 0.00 C ATOM 1113 OG SER A 77 7.771 -3.464 -0.320 1.00 0.00 O ATOM 0 H SER A 77 7.654 -5.587 -3.263 1.00 0.00 H new ATOM 0 HA SER A 77 9.706 -3.652 -2.672 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.777 -2.602 -2.193 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.880 -4.102 -2.066 1.00 0.00 H new ATOM 0 HG SER A 77 8.335 -2.708 -0.054 1.00 0.00 H new ATOM 1119 N ALA A 78 10.637 -4.369 -0.452 1.00 0.00 N ATOM 1120 CA ALA A 78 11.372 -4.916 0.676 1.00 0.00 C ATOM 1121 C ALA A 78 10.649 -4.552 1.974 1.00 0.00 C ATOM 1122 O ALA A 78 9.840 -3.626 2.000 1.00 0.00 O ATOM 1123 CB ALA A 78 12.812 -4.399 0.646 1.00 0.00 C ATOM 0 H ALA A 78 10.907 -3.422 -0.718 1.00 0.00 H new ATOM 0 HA ALA A 78 11.415 -6.003 0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.364 -4.809 1.492 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.290 -4.708 -0.283 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.809 -3.311 0.708 1.00 0.00 H new ATOM 1129 N SER A 79 10.967 -5.300 3.021 1.00 0.00 N ATOM 1130 CA SER A 79 10.357 -5.069 4.319 1.00 0.00 C ATOM 1131 C SER A 79 11.208 -4.088 5.129 1.00 0.00 C ATOM 1132 O SER A 79 12.432 -4.207 5.166 1.00 0.00 O ATOM 1133 CB SER A 79 10.183 -6.380 5.087 1.00 0.00 C ATOM 1134 OG SER A 79 9.463 -6.195 6.303 1.00 0.00 O ATOM 0 H SER A 79 11.639 -6.067 2.996 1.00 0.00 H new ATOM 0 HA SER A 79 9.368 -4.639 4.161 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.657 -7.100 4.460 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.163 -6.804 5.307 1.00 0.00 H new ATOM 0 HG SER A 79 9.639 -6.948 6.905 1.00 0.00 H new ATOM 1140 N PRO A 80 10.508 -3.117 5.775 1.00 0.00 N ATOM 1141 CA PRO A 80 9.060 -3.049 5.678 1.00 0.00 C ATOM 1142 C PRO A 80 8.626 -2.504 4.316 1.00 0.00 C ATOM 1143 O PRO A 80 9.421 -1.887 3.608 1.00 0.00 O ATOM 1144 CB PRO A 80 8.630 -2.163 6.836 1.00 0.00 C ATOM 1145 CG PRO A 80 9.872 -1.395 7.257 1.00 0.00 C ATOM 1146 CD PRO A 80 11.075 -2.063 6.610 1.00 0.00 C ATOM 0 HA PRO A 80 8.588 -4.029 5.746 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.834 -1.483 6.533 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.242 -2.760 7.661 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.800 -0.353 6.945 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.972 -1.397 8.342 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.650 -1.353 6.016 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.752 -2.473 7.360 1.00 0.00 H new ATOM 1154 N LEU A 81 7.366 -2.752 3.989 1.00 0.00 N ATOM 1155 CA LEU A 81 6.817 -2.293 2.724 1.00 0.00 C ATOM 1156 C LEU A 81 6.034 -0.999 2.952 1.00 0.00 C ATOM 1157 O LEU A 81 4.953 -1.018 3.539 1.00 0.00 O ATOM 1158 CB LEU A 81 5.995 -3.402 2.064 1.00 0.00 C ATOM 1159 CG LEU A 81 5.056 -2.961 0.939 1.00 0.00 C ATOM 1160 CD1 LEU A 81 3.649 -2.689 1.473 1.00 0.00 C ATOM 1161 CD2 LEU A 81 5.628 -1.757 0.188 1.00 0.00 C ATOM 0 H LEU A 81 6.710 -3.265 4.578 1.00 0.00 H new ATOM 0 HA LEU A 81 7.618 -2.061 2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.682 -4.148 1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.401 -3.894 2.834 1.00 0.00 H new ATOM 0 HG LEU A 81 4.975 -3.778 0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.002 -2.377 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.250 -3.597 1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.691 -1.899 2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.941 -1.464 -0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.759 -0.925 0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.592 -2.023 -0.246 1.00 0.00 H new ATOM 1173 N ARG A 82 6.610 0.095 2.475 1.00 0.00 N ATOM 1174 CA ARG A 82 5.979 1.396 2.620 1.00 0.00 C ATOM 1175 C ARG A 82 5.004 1.644 1.467 1.00 0.00 C ATOM 1176 O ARG A 82 5.295 1.308 0.320 1.00 0.00 O ATOM 1177 CB ARG A 82 7.023 2.514 2.645 1.00 0.00 C ATOM 1178 CG ARG A 82 7.024 3.233 3.996 1.00 0.00 C ATOM 1179 CD ARG A 82 8.075 4.344 4.025 1.00 0.00 C ATOM 1180 NE ARG A 82 8.082 4.999 5.352 1.00 0.00 N ATOM 1181 CZ ARG A 82 9.057 5.811 5.784 1.00 0.00 C ATOM 1182 NH1 ARG A 82 10.109 6.072 4.997 1.00 0.00 N ATOM 1183 NH2 ARG A 82 8.980 6.361 7.004 1.00 0.00 N ATOM 0 H ARG A 82 7.506 0.107 1.988 1.00 0.00 H new ATOM 0 HA ARG A 82 5.437 1.399 3.566 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.011 2.098 2.450 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.815 3.229 1.849 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.038 3.655 4.188 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.225 2.517 4.793 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.060 3.930 3.809 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.861 5.079 3.249 1.00 0.00 H new ATOM 0 HE ARG A 82 7.296 4.821 5.977 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.168 5.653 4.069 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.851 6.690 5.326 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.179 6.162 7.604 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.722 6.979 7.333 1.00 0.00 H new ATOM 1197 N LEU A 83 3.867 2.230 1.812 1.00 0.00 N ATOM 1198 CA LEU A 83 2.847 2.527 0.820 1.00 0.00 C ATOM 1199 C LEU A 83 2.202 3.875 1.146 1.00 0.00 C ATOM 1200 O LEU A 83 1.606 4.040 2.210 1.00 0.00 O ATOM 1201 CB LEU A 83 1.847 1.374 0.718 1.00 0.00 C ATOM 1202 CG LEU A 83 2.373 0.082 0.091 1.00 0.00 C ATOM 1203 CD1 LEU A 83 1.333 -1.036 0.182 1.00 0.00 C ATOM 1204 CD2 LEU A 83 2.835 0.320 -1.349 1.00 0.00 C ATOM 0 H LEU A 83 3.629 2.507 2.764 1.00 0.00 H new ATOM 0 HA LEU A 83 3.293 2.619 -0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.483 1.146 1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.990 1.713 0.137 1.00 0.00 H new ATOM 0 HG LEU A 83 3.244 -0.243 0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.733 -1.943 -0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.095 -1.228 1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.428 -0.735 -0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.204 -0.614 -1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.997 0.682 -1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.633 1.062 -1.357 1.00 0.00 H new ATOM 1216 N GLN A 84 2.341 4.803 0.212 1.00 0.00 N ATOM 1217 CA GLN A 84 1.778 6.132 0.387 1.00 0.00 C ATOM 1218 C GLN A 84 0.318 6.154 -0.070 1.00 0.00 C ATOM 1219 O GLN A 84 0.035 6.038 -1.261 1.00 0.00 O ATOM 1220 CB GLN A 84 2.603 7.180 -0.363 1.00 0.00 C ATOM 1221 CG GLN A 84 2.255 8.593 0.110 1.00 0.00 C ATOM 1222 CD GLN A 84 2.859 9.647 -0.820 1.00 0.00 C ATOM 1223 OE1 GLN A 84 3.972 9.520 -1.304 1.00 0.00 O ATOM 1224 NE2 GLN A 84 2.066 10.691 -1.042 1.00 0.00 N ATOM 0 H GLN A 84 2.835 4.662 -0.669 1.00 0.00 H new ATOM 0 HA GLN A 84 1.810 6.383 1.447 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.665 6.992 -0.207 1.00 0.00 H new ATOM 0 HB3 GLN A 84 2.418 7.095 -1.434 1.00 0.00 H new ATOM 0 HG2 GLN A 84 1.172 8.712 0.146 1.00 0.00 H new ATOM 0 HG3 GLN A 84 2.626 8.742 1.124 1.00 0.00 H new ATOM 0 HE21 GLN A 84 1.145 10.734 -0.605 1.00 0.00 H new ATOM 0 HE22 GLN A 84 2.378 11.449 -1.649 1.00 0.00 H new ATOM 1233 N LEU A 85 -0.570 6.305 0.902 1.00 0.00 N ATOM 1234 CA LEU A 85 -1.994 6.344 0.615 1.00 0.00 C ATOM 1235 C LEU A 85 -2.461 7.800 0.572 1.00 0.00 C ATOM 1236 O LEU A 85 -1.892 8.659 1.244 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.766 5.480 1.613 1.00 0.00 C ATOM 1238 CG LEU A 85 -2.125 4.138 1.975 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -2.886 3.457 3.114 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -2.007 3.237 0.745 1.00 0.00 C ATOM 0 H LEU A 85 -0.331 6.402 1.889 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.197 5.914 -0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.903 6.054 2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.759 5.288 1.205 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.113 4.328 2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.410 2.506 3.352 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.874 4.099 3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.917 3.280 2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.548 2.290 1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.999 3.050 0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.389 3.727 -0.007 1.00 0.00 H new ATOM 1252 N ASP A 86 -3.493 8.034 -0.226 1.00 0.00 N ATOM 1253 CA ASP A 86 -4.043 9.372 -0.365 1.00 0.00 C ATOM 1254 C ASP A 86 -5.385 9.445 0.367 1.00 0.00 C ATOM 1255 O ASP A 86 -6.405 8.995 -0.152 1.00 0.00 O ATOM 1256 CB ASP A 86 -4.288 9.716 -1.835 1.00 0.00 C ATOM 1257 CG ASP A 86 -3.760 11.083 -2.276 1.00 0.00 C ATOM 1258 OD1 ASP A 86 -3.528 11.919 -1.376 1.00 0.00 O ATOM 1259 OD2 ASP A 86 -3.600 11.261 -3.503 1.00 0.00 O ATOM 0 H ASP A 86 -3.962 7.320 -0.783 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.326 10.077 0.056 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.825 8.948 -2.454 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.360 9.678 -2.028 1.00 0.00 H new ATOM 1264 N ARG A 87 -5.340 10.017 1.562 1.00 0.00 N ATOM 1265 CA ARG A 87 -6.539 10.156 2.370 1.00 0.00 C ATOM 1266 C ARG A 87 -6.955 11.626 2.455 1.00 0.00 C ATOM 1267 O ARG A 87 -6.342 12.407 3.182 1.00 0.00 O ATOM 1268 CB ARG A 87 -6.316 9.613 3.783 1.00 0.00 C ATOM 1269 CG ARG A 87 -7.643 9.215 4.433 1.00 0.00 C ATOM 1270 CD ARG A 87 -7.531 7.851 5.117 1.00 0.00 C ATOM 1271 NE ARG A 87 -8.193 6.815 4.293 1.00 0.00 N ATOM 1272 CZ ARG A 87 -8.516 5.593 4.739 1.00 0.00 C ATOM 1273 NH1 ARG A 87 -8.240 5.247 6.003 1.00 0.00 N ATOM 1274 NH2 ARG A 87 -9.114 4.718 3.919 1.00 0.00 N ATOM 0 H ARG A 87 -4.492 10.389 1.989 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.330 9.579 1.892 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.652 8.749 3.744 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.820 10.368 4.393 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.935 9.969 5.164 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.427 9.183 3.677 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.482 7.594 5.265 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.991 7.891 6.104 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.417 7.045 3.325 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.784 5.913 6.626 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.486 4.317 6.342 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.323 4.982 2.956 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.360 3.788 4.258 1.00 0.00 H new ATOM 1288 N SER A 88 -7.994 11.958 1.703 1.00 0.00 N ATOM 1289 CA SER A 88 -8.499 13.321 1.685 1.00 0.00 C ATOM 1290 C SER A 88 -10.025 13.312 1.587 1.00 0.00 C ATOM 1291 O SER A 88 -10.583 13.471 0.502 1.00 0.00 O ATOM 1292 CB SER A 88 -7.897 14.115 0.523 1.00 0.00 C ATOM 1293 OG SER A 88 -8.124 15.515 0.661 1.00 0.00 O ATOM 0 H SER A 88 -8.500 11.307 1.102 1.00 0.00 H new ATOM 0 HA SER A 88 -8.204 13.808 2.615 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.825 13.925 0.470 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.329 13.768 -0.416 1.00 0.00 H new ATOM 0 HG SER A 88 -7.724 15.988 -0.099 1.00 0.00 H new ATOM 1299 N SER A 89 -10.659 13.124 2.736 1.00 0.00 N ATOM 1300 CA SER A 89 -12.110 13.092 2.794 1.00 0.00 C ATOM 1301 C SER A 89 -12.615 14.106 3.821 1.00 0.00 C ATOM 1302 O SER A 89 -12.171 14.107 4.968 1.00 0.00 O ATOM 1303 CB SER A 89 -12.617 11.690 3.138 1.00 0.00 C ATOM 1304 OG SER A 89 -13.093 10.997 1.988 1.00 0.00 O ATOM 0 H SER A 89 -10.193 12.992 3.634 1.00 0.00 H new ATOM 0 HA SER A 89 -12.497 13.357 1.810 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.813 11.117 3.599 1.00 0.00 H new ATOM 0 HB3 SER A 89 -13.418 11.765 3.874 1.00 0.00 H new ATOM 0 HG SER A 89 -13.406 10.106 2.249 1.00 0.00 H new ATOM 1310 N GLY A 90 -13.538 14.946 3.373 1.00 0.00 N ATOM 1311 CA GLY A 90 -14.108 15.963 4.240 1.00 0.00 C ATOM 1312 C GLY A 90 -15.571 15.651 4.563 1.00 0.00 C ATOM 1313 O GLY A 90 -16.111 14.646 4.103 1.00 0.00 O ATOM 0 H GLY A 90 -13.905 14.943 2.421 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -13.533 16.023 5.164 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -14.038 16.938 3.758 1.00 0.00 H new ATOM 1317 N PRO A 91 -16.186 16.554 5.372 1.00 0.00 N ATOM 1318 CA PRO A 91 -17.575 16.386 5.762 1.00 0.00 C ATOM 1319 C PRO A 91 -18.515 16.731 4.605 1.00 0.00 C ATOM 1320 O PRO A 91 -18.071 17.205 3.560 1.00 0.00 O ATOM 1321 CB PRO A 91 -17.759 17.293 6.967 1.00 0.00 C ATOM 1322 CG PRO A 91 -16.605 18.282 6.924 1.00 0.00 C ATOM 1323 CD PRO A 91 -15.577 17.756 5.936 1.00 0.00 C ATOM 0 HA PRO A 91 -17.818 15.354 6.017 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -18.718 17.810 6.924 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -17.747 16.719 7.893 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -16.958 19.267 6.619 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -16.161 18.394 7.913 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -15.360 18.491 5.161 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -14.633 17.527 6.431 1.00 0.00 H new ATOM 1331 N SER A 92 -19.796 16.479 4.830 1.00 0.00 N ATOM 1332 CA SER A 92 -20.803 16.757 3.820 1.00 0.00 C ATOM 1333 C SER A 92 -22.147 17.051 4.487 1.00 0.00 C ATOM 1334 O SER A 92 -22.709 18.131 4.312 1.00 0.00 O ATOM 1335 CB SER A 92 -20.939 15.588 2.842 1.00 0.00 C ATOM 1336 OG SER A 92 -20.804 16.006 1.487 1.00 0.00 O ATOM 0 H SER A 92 -20.160 16.085 5.698 1.00 0.00 H new ATOM 0 HA SER A 92 -20.487 17.634 3.254 1.00 0.00 H new ATOM 0 HB2 SER A 92 -20.181 14.837 3.067 1.00 0.00 H new ATOM 0 HB3 SER A 92 -21.910 15.112 2.979 1.00 0.00 H new ATOM 0 HG SER A 92 -20.895 15.231 0.895 1.00 0.00 H new ATOM 1342 N SER A 93 -22.626 16.070 5.239 1.00 0.00 N ATOM 1343 CA SER A 93 -23.894 16.210 5.934 1.00 0.00 C ATOM 1344 C SER A 93 -24.115 15.017 6.865 1.00 0.00 C ATOM 1345 O SER A 93 -24.090 13.869 6.425 1.00 0.00 O ATOM 1346 CB SER A 93 -25.054 16.333 4.943 1.00 0.00 C ATOM 1347 OG SER A 93 -25.262 15.127 4.213 1.00 0.00 O ATOM 0 H SER A 93 -22.158 15.175 5.382 1.00 0.00 H new ATOM 0 HA SER A 93 -23.860 17.124 6.527 1.00 0.00 H new ATOM 0 HB2 SER A 93 -25.965 16.592 5.482 1.00 0.00 H new ATOM 0 HB3 SER A 93 -24.852 17.148 4.248 1.00 0.00 H new ATOM 0 HG SER A 93 -24.875 14.375 4.707 1.00 0.00 H new ATOM 1353 N GLY A 94 -24.327 15.329 8.135 1.00 0.00 N ATOM 1354 CA GLY A 94 -24.552 14.297 9.132 1.00 0.00 C ATOM 1355 C GLY A 94 -25.835 14.568 9.921 1.00 0.00 C ATOM 1356 O GLY A 94 -25.792 15.162 10.997 1.00 0.00 O ATOM 0 H GLY A 94 -24.348 16.283 8.496 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -24.619 13.324 8.645 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -23.703 14.254 9.814 1.00 0.00 H new TER 1360 GLY A 94