USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 718 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 ALA N :NH3+ -104:sc= 0.0826 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 29:sc= 0.409 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -79:sc= 0.563 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -160:sc= 0 USER MOD Single : A 29 SER OG : rot 46:sc= 0.278 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.322 X(o=-0.32,f=-0.025) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0527 USER MOD Single : A 102 ASN : amide:sc= 0.0184 K(o=0.018,f=-1.3) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.00952 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.342 X(o=-0.34,f=0.00012) USER MOD Single : A 112 SER OG : rot 36:sc= 0.482 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -21.756 10.692 -0.594 1.00 0.00 N ATOM 2 CA ALA A 1 -20.385 10.261 -0.218 1.00 0.00 C ATOM 3 C ALA A 1 -19.434 11.456 -0.238 1.00 0.00 C ATOM 4 O ALA A 1 -19.690 12.420 -0.943 1.00 0.00 O ATOM 5 CB ALA A 1 -19.873 9.217 -1.219 1.00 0.00 C ATOM 0 H1 ALA A 1 -22.350 10.742 0.258 1.00 0.00 H new ATOM 0 H2 ALA A 1 -21.714 11.629 -1.042 1.00 0.00 H new ATOM 0 H3 ALA A 1 -22.165 10.007 -1.261 1.00 0.00 H new ATOM 0 HA ALA A 1 -20.421 9.833 0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -18.867 8.905 -0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -20.536 8.352 -1.213 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -19.852 9.651 -2.219 1.00 0.00 H new ATOM 13 N SER A 2 -18.360 11.331 0.539 1.00 0.00 N ATOM 14 CA SER A 2 -17.306 12.406 0.652 1.00 0.00 C ATOM 15 C SER A 2 -16.482 12.545 -0.626 1.00 0.00 C ATOM 16 O SER A 2 -16.064 13.637 -0.972 1.00 0.00 O ATOM 17 CB SER A 2 -16.353 11.994 1.781 1.00 0.00 C ATOM 18 OG SER A 2 -17.079 12.276 2.969 1.00 0.00 O ATOM 0 H SER A 2 -18.173 10.507 1.110 1.00 0.00 H new ATOM 0 HA SER A 2 -17.802 13.358 0.840 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.091 10.938 1.716 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.421 12.557 1.741 1.00 0.00 H new ATOM 0 HG SER A 2 -16.536 12.037 3.749 1.00 0.00 H new ATOM 24 N ALA A 3 -16.261 11.405 -1.254 1.00 0.00 N ATOM 25 CA ALA A 3 -15.471 11.298 -2.541 1.00 0.00 C ATOM 26 C ALA A 3 -15.698 9.905 -3.143 1.00 0.00 C ATOM 27 O ALA A 3 -15.405 8.916 -2.484 1.00 0.00 O ATOM 28 CB ALA A 3 -13.960 11.452 -2.248 1.00 0.00 C ATOM 0 H ALA A 3 -16.609 10.508 -0.915 1.00 0.00 H new ATOM 0 HA ALA A 3 -15.797 12.080 -3.227 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -13.399 11.374 -3.179 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -13.775 12.425 -1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -13.640 10.666 -1.564 1.00 0.00 H new ATOM 34 N ALA A 4 -16.180 9.873 -4.391 1.00 0.00 N ATOM 35 CA ALA A 4 -16.458 8.578 -5.110 1.00 0.00 C ATOM 36 C ALA A 4 -15.172 7.980 -5.682 1.00 0.00 C ATOM 37 O ALA A 4 -14.409 8.708 -6.296 1.00 0.00 O ATOM 38 CB ALA A 4 -17.381 8.891 -6.297 1.00 0.00 C ATOM 0 H ALA A 4 -16.391 10.708 -4.938 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.903 7.873 -4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -17.601 7.971 -6.839 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -18.310 9.327 -5.930 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.888 9.597 -6.965 1.00 0.00 H new ATOM 44 N VAL A 5 -14.973 6.676 -5.410 1.00 0.00 N ATOM 45 CA VAL A 5 -13.778 5.858 -5.868 1.00 0.00 C ATOM 46 C VAL A 5 -14.444 4.607 -6.464 1.00 0.00 C ATOM 47 O VAL A 5 -15.467 4.170 -5.950 1.00 0.00 O ATOM 48 CB VAL A 5 -12.800 5.418 -4.644 1.00 0.00 C ATOM 49 CG1 VAL A 5 -11.341 4.969 -5.152 1.00 0.00 C ATOM 50 CG2 VAL A 5 -12.680 6.560 -3.544 1.00 0.00 C ATOM 0 H VAL A 5 -15.635 6.130 -4.858 1.00 0.00 H new ATOM 0 HA VAL A 5 -13.142 6.419 -6.553 1.00 0.00 H new ATOM 0 HB VAL A 5 -13.268 4.548 -4.183 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.729 4.686 -4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -11.437 4.119 -5.827 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.868 5.798 -5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.019 6.227 -2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.273 7.463 -4.000 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.667 6.774 -3.133 1.00 0.00 H new ATOM 60 N SER A 6 -13.888 4.135 -7.576 1.00 0.00 N ATOM 61 CA SER A 6 -14.419 2.911 -8.291 1.00 0.00 C ATOM 62 C SER A 6 -13.377 2.369 -9.276 1.00 0.00 C ATOM 63 O SER A 6 -12.657 3.146 -9.879 1.00 0.00 O ATOM 64 CB SER A 6 -15.701 3.297 -9.078 1.00 0.00 C ATOM 65 OG SER A 6 -15.748 2.434 -10.203 1.00 0.00 O ATOM 0 H SER A 6 -13.074 4.557 -8.023 1.00 0.00 H new ATOM 0 HA SER A 6 -14.643 2.142 -7.551 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.589 3.177 -8.458 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.668 4.341 -9.389 1.00 0.00 H new ATOM 0 HG SER A 6 -16.545 2.636 -10.737 1.00 0.00 H new ATOM 71 N VAL A 7 -13.349 1.029 -9.355 1.00 0.00 N ATOM 72 CA VAL A 7 -12.424 0.217 -10.246 1.00 0.00 C ATOM 73 C VAL A 7 -13.421 -0.580 -11.115 1.00 0.00 C ATOM 74 O VAL A 7 -14.479 -0.929 -10.611 1.00 0.00 O ATOM 75 CB VAL A 7 -11.493 -0.774 -9.361 1.00 0.00 C ATOM 76 CG1 VAL A 7 -10.243 -1.355 -10.191 1.00 0.00 C ATOM 77 CG2 VAL A 7 -10.997 -0.071 -8.013 1.00 0.00 C ATOM 0 H VAL A 7 -13.972 0.442 -8.800 1.00 0.00 H new ATOM 0 HA VAL A 7 -11.729 0.822 -10.827 1.00 0.00 H new ATOM 0 HB VAL A 7 -12.124 -1.621 -9.093 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.654 -2.012 -9.550 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.607 -1.918 -11.051 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -9.620 -0.530 -10.535 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -10.376 -0.766 -7.447 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -10.415 0.818 -8.259 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -11.861 0.215 -7.413 1.00 0.00 H new ATOM 87 N SER A 8 -13.074 -0.771 -12.398 1.00 0.00 N ATOM 88 CA SER A 8 -13.946 -1.535 -13.393 1.00 0.00 C ATOM 89 C SER A 8 -13.044 -2.080 -14.600 1.00 0.00 C ATOM 90 O SER A 8 -12.538 -1.210 -15.300 1.00 0.00 O ATOM 91 CB SER A 8 -14.955 -0.502 -13.977 1.00 0.00 C ATOM 92 OG SER A 8 -16.038 -0.510 -13.058 1.00 0.00 O ATOM 0 H SER A 8 -12.204 -0.420 -12.800 1.00 0.00 H new ATOM 0 HA SER A 8 -14.442 -2.375 -12.906 1.00 0.00 H new ATOM 0 HB2 SER A 8 -14.508 0.489 -14.056 1.00 0.00 H new ATOM 0 HB3 SER A 8 -15.281 -0.786 -14.978 1.00 0.00 H new ATOM 0 HG SER A 8 -15.707 -0.741 -12.165 1.00 0.00 H new ATOM 98 N PRO A 9 -12.745 -3.448 -14.858 1.00 0.00 N ATOM 99 CA PRO A 9 -13.132 -4.694 -14.069 1.00 0.00 C ATOM 100 C PRO A 9 -12.483 -4.706 -12.681 1.00 0.00 C ATOM 101 O PRO A 9 -11.456 -4.081 -12.516 1.00 0.00 O ATOM 102 CB PRO A 9 -12.572 -5.882 -14.866 1.00 0.00 C ATOM 103 CG PRO A 9 -11.862 -5.339 -16.113 1.00 0.00 C ATOM 104 CD PRO A 9 -11.942 -3.812 -16.084 1.00 0.00 C ATOM 0 HA PRO A 9 -14.213 -4.731 -13.934 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.876 -6.455 -14.253 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.377 -6.559 -15.153 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.822 -5.665 -16.130 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.332 -5.727 -17.017 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.946 -3.372 -16.040 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.419 -3.431 -16.987 1.00 0.00 H new ATOM 112 N ALA A 10 -13.149 -5.392 -11.734 1.00 0.00 N ATOM 113 CA ALA A 10 -12.677 -5.524 -10.286 1.00 0.00 C ATOM 114 C ALA A 10 -12.869 -6.938 -9.730 1.00 0.00 C ATOM 115 O ALA A 10 -12.428 -7.182 -8.617 1.00 0.00 O ATOM 116 CB ALA A 10 -13.562 -4.605 -9.414 1.00 0.00 C ATOM 0 H ALA A 10 -14.027 -5.878 -11.919 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.617 -5.269 -10.265 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.248 -4.678 -8.373 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.460 -3.574 -9.752 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -14.604 -4.914 -9.501 1.00 0.00 H new ATOM 122 N THR A 11 -13.531 -7.810 -10.508 1.00 0.00 N ATOM 123 CA THR A 11 -13.807 -9.249 -10.098 1.00 0.00 C ATOM 124 C THR A 11 -13.486 -10.196 -11.261 1.00 0.00 C ATOM 125 O THR A 11 -13.547 -9.794 -12.414 1.00 0.00 O ATOM 126 CB THR A 11 -15.329 -9.438 -9.765 1.00 0.00 C ATOM 127 OG1 THR A 11 -16.008 -9.120 -10.965 1.00 0.00 O ATOM 128 CG2 THR A 11 -15.934 -8.430 -8.742 1.00 0.00 C ATOM 0 H THR A 11 -13.896 -7.570 -11.430 1.00 0.00 H new ATOM 0 HA THR A 11 -13.189 -9.471 -9.228 1.00 0.00 H new ATOM 0 HB THR A 11 -15.432 -10.443 -9.356 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.974 -9.219 -10.831 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.989 -8.656 -8.589 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.404 -8.513 -7.793 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.832 -7.415 -9.127 1.00 0.00 H new ATOM 136 N GLY A 12 -13.113 -11.424 -10.897 1.00 0.00 N ATOM 137 CA GLY A 12 -12.761 -12.500 -11.898 1.00 0.00 C ATOM 138 C GLY A 12 -11.428 -12.236 -12.610 1.00 0.00 C ATOM 139 O GLY A 12 -11.266 -12.647 -13.748 1.00 0.00 O ATOM 0 H GLY A 12 -13.039 -11.723 -9.925 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -12.711 -13.462 -11.388 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.556 -12.574 -12.640 1.00 0.00 H new ATOM 143 N LEU A 13 -10.516 -11.593 -11.887 1.00 0.00 N ATOM 144 CA LEU A 13 -9.143 -11.247 -12.426 1.00 0.00 C ATOM 145 C LEU A 13 -8.266 -12.517 -12.490 1.00 0.00 C ATOM 146 O LEU A 13 -8.517 -13.460 -11.753 1.00 0.00 O ATOM 147 CB LEU A 13 -8.437 -10.228 -11.443 1.00 0.00 C ATOM 148 CG LEU A 13 -9.258 -8.870 -11.019 1.00 0.00 C ATOM 149 CD1 LEU A 13 -8.313 -7.895 -10.163 1.00 0.00 C ATOM 150 CD2 LEU A 13 -9.905 -8.076 -12.247 1.00 0.00 C ATOM 0 H LEU A 13 -10.672 -11.289 -10.926 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.257 -10.815 -13.420 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.186 -10.766 -10.529 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.496 -9.920 -11.900 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.098 -9.210 -10.414 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.869 -6.999 -9.888 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.983 -8.409 -9.260 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.444 -7.615 -10.759 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.427 -7.194 -11.876 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.119 -7.768 -12.936 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.611 -8.723 -12.767 1.00 0.00 H new ATOM 162 N ALA A 14 -7.290 -12.480 -13.421 1.00 0.00 N ATOM 163 CA ALA A 14 -6.291 -13.599 -13.688 1.00 0.00 C ATOM 164 C ALA A 14 -4.887 -12.984 -13.838 1.00 0.00 C ATOM 165 O ALA A 14 -4.737 -11.796 -13.623 1.00 0.00 O ATOM 166 CB ALA A 14 -6.701 -14.280 -15.022 1.00 0.00 C ATOM 0 H ALA A 14 -7.150 -11.673 -14.029 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.283 -14.324 -12.874 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.006 -15.089 -15.246 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.709 -14.683 -14.930 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.676 -13.546 -15.828 1.00 0.00 H new ATOM 172 N ASP A 15 -3.903 -13.829 -14.158 1.00 0.00 N ATOM 173 CA ASP A 15 -2.466 -13.390 -14.345 1.00 0.00 C ATOM 174 C ASP A 15 -2.308 -12.447 -15.562 1.00 0.00 C ATOM 175 O ASP A 15 -2.908 -12.694 -16.595 1.00 0.00 O ATOM 176 CB ASP A 15 -1.652 -14.684 -14.591 1.00 0.00 C ATOM 177 CG ASP A 15 -0.260 -14.372 -15.152 1.00 0.00 C ATOM 178 OD1 ASP A 15 0.517 -13.814 -14.395 1.00 0.00 O ATOM 179 OD2 ASP A 15 -0.054 -14.712 -16.306 1.00 0.00 O ATOM 0 H ASP A 15 -4.049 -14.829 -14.299 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.123 -12.839 -13.469 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.554 -15.237 -13.657 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.190 -15.327 -15.287 1.00 0.00 H new ATOM 184 N GLY A 16 -1.530 -11.374 -15.373 1.00 0.00 N ATOM 185 CA GLY A 16 -1.273 -10.356 -16.458 1.00 0.00 C ATOM 186 C GLY A 16 -2.491 -9.452 -16.688 1.00 0.00 C ATOM 187 O GLY A 16 -2.691 -8.981 -17.797 1.00 0.00 O ATOM 0 H GLY A 16 -1.059 -11.168 -14.492 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.412 -9.745 -16.187 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.020 -10.869 -17.386 1.00 0.00 H new ATOM 191 N ALA A 17 -3.249 -9.236 -15.613 1.00 0.00 N ATOM 192 CA ALA A 17 -4.491 -8.368 -15.648 1.00 0.00 C ATOM 193 C ALA A 17 -4.107 -6.887 -15.780 1.00 0.00 C ATOM 194 O ALA A 17 -3.032 -6.523 -15.329 1.00 0.00 O ATOM 195 CB ALA A 17 -5.247 -8.552 -14.307 1.00 0.00 C ATOM 0 H ALA A 17 -3.050 -9.636 -14.696 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.108 -8.658 -16.499 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.146 -7.936 -14.309 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.525 -9.599 -14.187 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.602 -8.251 -13.481 1.00 0.00 H new ATOM 201 N THR A 18 -5.007 -6.112 -16.416 1.00 0.00 N ATOM 202 CA THR A 18 -4.836 -4.625 -16.656 1.00 0.00 C ATOM 203 C THR A 18 -6.120 -3.927 -16.159 1.00 0.00 C ATOM 204 O THR A 18 -7.120 -3.900 -16.862 1.00 0.00 O ATOM 205 CB THR A 18 -4.615 -4.427 -18.196 1.00 0.00 C ATOM 206 OG1 THR A 18 -3.292 -4.880 -18.412 1.00 0.00 O ATOM 207 CG2 THR A 18 -4.558 -2.945 -18.708 1.00 0.00 C ATOM 0 H THR A 18 -5.883 -6.480 -16.787 1.00 0.00 H new ATOM 0 HA THR A 18 -3.985 -4.199 -16.125 1.00 0.00 H new ATOM 0 HB THR A 18 -5.444 -4.925 -18.698 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.067 -4.793 -19.362 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.402 -2.938 -19.787 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.497 -2.443 -18.474 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.736 -2.423 -18.219 1.00 0.00 H new ATOM 215 N VAL A 19 -5.987 -3.358 -14.964 1.00 0.00 N ATOM 216 CA VAL A 19 -7.094 -2.611 -14.246 1.00 0.00 C ATOM 217 C VAL A 19 -7.054 -1.117 -14.640 1.00 0.00 C ATOM 218 O VAL A 19 -6.018 -0.660 -15.099 1.00 0.00 O ATOM 219 CB VAL A 19 -6.908 -2.814 -12.644 1.00 0.00 C ATOM 220 CG1 VAL A 19 -7.489 -4.230 -12.179 1.00 0.00 C ATOM 221 CG2 VAL A 19 -5.395 -2.627 -12.139 1.00 0.00 C ATOM 0 H VAL A 19 -5.114 -3.385 -14.437 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.070 -3.002 -14.534 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.483 -2.017 -12.173 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.353 -4.343 -11.103 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.551 -4.284 -12.419 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.959 -5.029 -12.698 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.350 -2.778 -11.060 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.753 -3.356 -12.634 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.053 -1.620 -12.379 1.00 0.00 H new ATOM 231 N THR A 20 -8.204 -0.455 -14.476 1.00 0.00 N ATOM 232 CA THR A 20 -8.405 1.011 -14.789 1.00 0.00 C ATOM 233 C THR A 20 -9.029 1.636 -13.525 1.00 0.00 C ATOM 234 O THR A 20 -10.237 1.590 -13.344 1.00 0.00 O ATOM 235 CB THR A 20 -9.357 1.076 -16.039 1.00 0.00 C ATOM 236 OG1 THR A 20 -8.519 0.709 -17.117 1.00 0.00 O ATOM 237 CG2 THR A 20 -9.872 2.491 -16.474 1.00 0.00 C ATOM 0 H THR A 20 -9.047 -0.905 -14.119 1.00 0.00 H new ATOM 0 HA THR A 20 -7.492 1.555 -15.030 1.00 0.00 H new ATOM 0 HB THR A 20 -10.230 0.472 -15.793 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.034 0.720 -17.950 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.517 2.391 -17.347 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.435 2.941 -15.656 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.022 3.127 -16.722 1.00 0.00 H new ATOM 245 N VAL A 21 -8.151 2.226 -12.705 1.00 0.00 N ATOM 246 CA VAL A 21 -8.548 2.895 -11.409 1.00 0.00 C ATOM 247 C VAL A 21 -9.094 4.272 -11.811 1.00 0.00 C ATOM 248 O VAL A 21 -8.650 4.811 -12.812 1.00 0.00 O ATOM 249 CB VAL A 21 -7.206 2.995 -10.497 1.00 0.00 C ATOM 250 CG1 VAL A 21 -7.305 4.044 -9.277 1.00 0.00 C ATOM 251 CG2 VAL A 21 -6.785 1.547 -9.955 1.00 0.00 C ATOM 0 H VAL A 21 -7.150 2.266 -12.896 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.304 2.362 -10.833 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.432 3.385 -11.159 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.367 4.046 -8.722 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.496 5.042 -9.670 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.119 3.754 -8.613 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.885 1.634 -9.347 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.593 1.136 -9.350 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.590 0.885 -10.799 1.00 0.00 H new ATOM 261 N SER A 22 -10.066 4.756 -11.016 1.00 0.00 N ATOM 262 CA SER A 22 -10.740 6.095 -11.233 1.00 0.00 C ATOM 263 C SER A 22 -10.986 6.806 -9.901 1.00 0.00 C ATOM 264 O SER A 22 -10.918 6.196 -8.844 1.00 0.00 O ATOM 265 CB SER A 22 -12.118 5.872 -11.908 1.00 0.00 C ATOM 266 OG SER A 22 -13.054 5.895 -10.840 1.00 0.00 O ATOM 0 H SER A 22 -10.420 4.250 -10.204 1.00 0.00 H new ATOM 0 HA SER A 22 -10.087 6.703 -11.858 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.332 6.653 -12.638 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.148 4.921 -12.440 1.00 0.00 H new ATOM 0 HG SER A 22 -13.046 5.030 -10.379 1.00 0.00 H new ATOM 272 N ALA A 23 -11.190 8.107 -10.029 1.00 0.00 N ATOM 273 CA ALA A 23 -11.459 9.038 -8.886 1.00 0.00 C ATOM 274 C ALA A 23 -12.108 10.262 -9.516 1.00 0.00 C ATOM 275 O ALA A 23 -11.598 10.704 -10.525 1.00 0.00 O ATOM 276 CB ALA A 23 -10.129 9.432 -8.220 1.00 0.00 C ATOM 0 H ALA A 23 -11.178 8.577 -10.934 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.093 8.587 -8.122 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.325 10.109 -7.389 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.629 8.537 -7.849 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.490 9.929 -8.950 1.00 0.00 H new ATOM 282 N SER A 24 -13.237 10.729 -8.935 1.00 0.00 N ATOM 283 CA SER A 24 -14.012 11.947 -9.458 1.00 0.00 C ATOM 284 C SER A 24 -14.250 13.020 -8.375 1.00 0.00 C ATOM 285 O SER A 24 -15.046 13.932 -8.577 1.00 0.00 O ATOM 286 CB SER A 24 -15.394 11.426 -9.912 1.00 0.00 C ATOM 287 OG SER A 24 -15.136 10.194 -10.571 1.00 0.00 O ATOM 0 H SER A 24 -13.654 10.304 -8.107 1.00 0.00 H new ATOM 0 HA SER A 24 -13.432 12.411 -10.256 1.00 0.00 H new ATOM 0 HB2 SER A 24 -16.059 11.284 -9.060 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.880 12.135 -10.582 1.00 0.00 H new ATOM 0 HG SER A 24 -15.980 9.808 -10.884 1.00 0.00 H new ATOM 293 N GLY A 25 -13.546 12.893 -7.270 1.00 0.00 N ATOM 294 CA GLY A 25 -13.683 13.875 -6.137 1.00 0.00 C ATOM 295 C GLY A 25 -12.596 13.656 -5.084 1.00 0.00 C ATOM 296 O GLY A 25 -11.992 12.596 -5.028 1.00 0.00 O ATOM 0 H GLY A 25 -12.875 12.143 -7.102 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -13.619 14.892 -6.524 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.666 13.770 -5.677 1.00 0.00 H new ATOM 300 N PHE A 26 -12.381 14.736 -4.327 1.00 0.00 N ATOM 301 CA PHE A 26 -11.374 14.844 -3.200 1.00 0.00 C ATOM 302 C PHE A 26 -12.023 15.685 -2.082 1.00 0.00 C ATOM 303 O PHE A 26 -13.215 15.937 -2.168 1.00 0.00 O ATOM 304 CB PHE A 26 -10.049 15.514 -3.744 1.00 0.00 C ATOM 305 CG PHE A 26 -10.175 17.099 -3.978 1.00 0.00 C ATOM 306 CD1 PHE A 26 -10.860 17.626 -5.105 1.00 0.00 C ATOM 307 CD2 PHE A 26 -9.576 18.054 -3.099 1.00 0.00 C ATOM 308 CE1 PHE A 26 -10.930 18.988 -5.319 1.00 0.00 C ATOM 309 CE2 PHE A 26 -9.671 19.406 -3.353 1.00 0.00 C ATOM 310 CZ PHE A 26 -10.342 19.867 -4.452 1.00 0.00 C ATOM 0 H PHE A 26 -12.905 15.600 -4.464 1.00 0.00 H new ATOM 0 HA PHE A 26 -11.104 13.865 -2.804 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.240 15.323 -3.039 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.771 15.038 -4.684 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.333 16.952 -5.804 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -9.042 17.712 -2.225 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -11.457 19.365 -6.183 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -9.210 20.110 -2.676 1.00 0.00 H new ATOM 0 HZ PHE A 26 -10.408 20.929 -4.636 1.00 0.00 H new ATOM 320 N ALA A 27 -11.246 16.042 -1.048 1.00 0.00 N ATOM 321 CA ALA A 27 -11.765 16.867 0.111 1.00 0.00 C ATOM 322 C ALA A 27 -10.621 17.564 0.860 1.00 0.00 C ATOM 323 O ALA A 27 -10.845 18.643 1.390 1.00 0.00 O ATOM 324 CB ALA A 27 -12.499 15.926 1.090 1.00 0.00 C ATOM 0 H ALA A 27 -10.262 15.787 -0.968 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.435 17.633 -0.279 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -12.880 16.503 1.932 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.330 15.442 0.576 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.806 15.167 1.454 1.00 0.00 H new ATOM 330 N THR A 28 -9.440 16.926 0.864 1.00 0.00 N ATOM 331 CA THR A 28 -8.193 17.469 1.558 1.00 0.00 C ATOM 332 C THR A 28 -6.933 17.136 0.742 1.00 0.00 C ATOM 333 O THR A 28 -6.054 17.979 0.642 1.00 0.00 O ATOM 334 CB THR A 28 -8.049 16.763 2.937 1.00 0.00 C ATOM 335 OG1 THR A 28 -8.817 15.582 2.811 1.00 0.00 O ATOM 336 CG2 THR A 28 -8.698 17.489 4.157 1.00 0.00 C ATOM 0 H THR A 28 -9.291 16.029 0.402 1.00 0.00 H new ATOM 0 HA THR A 28 -8.293 18.549 1.662 1.00 0.00 H new ATOM 0 HB THR A 28 -6.980 16.678 3.134 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.043 15.242 3.702 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.532 16.902 5.060 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.247 18.474 4.276 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.769 17.599 3.987 1.00 0.00 H new ATOM 344 N SER A 29 -6.892 15.921 0.194 1.00 0.00 N ATOM 345 CA SER A 29 -5.714 15.441 -0.640 1.00 0.00 C ATOM 346 C SER A 29 -5.601 16.212 -1.989 1.00 0.00 C ATOM 347 O SER A 29 -6.460 16.064 -2.837 1.00 0.00 O ATOM 348 CB SER A 29 -5.937 13.938 -0.917 1.00 0.00 C ATOM 349 OG SER A 29 -7.320 13.806 -1.231 1.00 0.00 O ATOM 0 H SER A 29 -7.638 15.233 0.293 1.00 0.00 H new ATOM 0 HA SER A 29 -4.787 15.619 -0.095 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.313 13.595 -1.743 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.674 13.336 -0.047 1.00 0.00 H new ATOM 0 HG SER A 29 -7.580 14.506 -1.866 1.00 0.00 H new ATOM 355 N THR A 30 -4.517 17.003 -2.123 1.00 0.00 N ATOM 356 CA THR A 30 -4.221 17.847 -3.368 1.00 0.00 C ATOM 357 C THR A 30 -3.342 17.093 -4.404 1.00 0.00 C ATOM 358 O THR A 30 -2.909 17.683 -5.380 1.00 0.00 O ATOM 359 CB THR A 30 -3.414 19.082 -2.837 1.00 0.00 C ATOM 360 OG1 THR A 30 -3.929 19.298 -1.537 1.00 0.00 O ATOM 361 CG2 THR A 30 -3.679 20.453 -3.545 1.00 0.00 C ATOM 0 H THR A 30 -3.809 17.096 -1.395 1.00 0.00 H new ATOM 0 HA THR A 30 -5.150 18.107 -3.875 1.00 0.00 H new ATOM 0 HB THR A 30 -2.359 18.840 -2.966 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.472 20.062 -1.127 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.061 21.225 -3.086 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.430 20.370 -4.603 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.731 20.720 -3.439 1.00 0.00 H new ATOM 369 N SER A 31 -3.116 15.806 -4.154 1.00 0.00 N ATOM 370 CA SER A 31 -2.275 14.905 -5.054 1.00 0.00 C ATOM 371 C SER A 31 -2.548 13.443 -4.642 1.00 0.00 C ATOM 372 O SER A 31 -3.094 13.238 -3.575 1.00 0.00 O ATOM 373 CB SER A 31 -0.763 15.238 -4.829 1.00 0.00 C ATOM 374 OG SER A 31 -0.665 15.530 -3.442 1.00 0.00 O ATOM 0 H SER A 31 -3.492 15.326 -3.336 1.00 0.00 H new ATOM 0 HA SER A 31 -2.525 15.056 -6.104 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.126 14.397 -5.103 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.449 16.087 -5.436 1.00 0.00 H new ATOM 0 HG SER A 31 0.264 15.749 -3.219 1.00 0.00 H new ATOM 380 N ALA A 32 -2.214 12.474 -5.518 1.00 0.00 N ATOM 381 CA ALA A 32 -2.439 10.999 -5.218 1.00 0.00 C ATOM 382 C ALA A 32 -1.559 10.099 -6.109 1.00 0.00 C ATOM 383 O ALA A 32 -1.164 10.516 -7.186 1.00 0.00 O ATOM 384 CB ALA A 32 -3.933 10.679 -5.491 1.00 0.00 C ATOM 0 H ALA A 32 -1.794 12.656 -6.429 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.172 10.803 -4.179 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.123 9.626 -5.284 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.561 11.295 -4.847 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.166 10.891 -6.534 1.00 0.00 H new ATOM 390 N THR A 33 -1.241 8.908 -5.556 1.00 0.00 N ATOM 391 CA THR A 33 -0.393 7.832 -6.214 1.00 0.00 C ATOM 392 C THR A 33 -1.007 6.500 -5.750 1.00 0.00 C ATOM 393 O THR A 33 -1.386 6.413 -4.592 1.00 0.00 O ATOM 394 CB THR A 33 1.075 7.975 -5.684 1.00 0.00 C ATOM 395 OG1 THR A 33 1.551 9.194 -6.220 1.00 0.00 O ATOM 396 CG2 THR A 33 2.117 6.930 -6.211 1.00 0.00 C ATOM 0 H THR A 33 -1.561 8.641 -4.625 1.00 0.00 H new ATOM 0 HA THR A 33 -0.372 7.900 -7.302 1.00 0.00 H new ATOM 0 HB THR A 33 1.008 7.868 -4.601 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.472 9.345 -5.922 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.093 7.136 -5.771 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.798 5.926 -5.932 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.186 7.001 -7.297 1.00 0.00 H new ATOM 404 N ALA A 34 -1.040 5.514 -6.661 1.00 0.00 N ATOM 405 CA ALA A 34 -1.625 4.127 -6.381 1.00 0.00 C ATOM 406 C ALA A 34 -0.572 3.010 -6.283 1.00 0.00 C ATOM 407 O ALA A 34 0.306 2.947 -7.130 1.00 0.00 O ATOM 408 CB ALA A 34 -2.507 3.789 -7.593 1.00 0.00 C ATOM 0 H ALA A 34 -0.676 5.620 -7.608 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.144 4.169 -5.424 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.956 2.806 -7.453 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.294 4.537 -7.690 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.897 3.785 -8.497 1.00 0.00 H new ATOM 414 N LEU A 35 -0.669 2.197 -5.196 1.00 0.00 N ATOM 415 CA LEU A 35 0.281 1.025 -4.930 1.00 0.00 C ATOM 416 C LEU A 35 -0.455 -0.066 -4.115 1.00 0.00 C ATOM 417 O LEU A 35 -1.208 0.264 -3.213 1.00 0.00 O ATOM 418 CB LEU A 35 1.633 1.343 -4.124 1.00 0.00 C ATOM 419 CG LEU A 35 1.887 2.821 -3.482 1.00 0.00 C ATOM 420 CD1 LEU A 35 0.982 3.097 -2.195 1.00 0.00 C ATOM 421 CD2 LEU A 35 3.446 3.040 -3.140 1.00 0.00 C ATOM 0 H LEU A 35 -1.385 2.312 -4.479 1.00 0.00 H new ATOM 0 HA LEU A 35 0.579 0.722 -5.934 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.698 0.623 -3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.465 1.138 -4.798 1.00 0.00 H new ATOM 0 HG LEU A 35 1.589 3.546 -4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.192 4.095 -1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.071 3.028 -2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.206 2.357 -1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.589 4.033 -2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.770 2.286 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.035 2.949 -4.053 1.00 0.00 H new ATOM 433 N GLN A 36 -0.203 -1.341 -4.497 1.00 0.00 N ATOM 434 CA GLN A 36 -0.807 -2.572 -3.843 1.00 0.00 C ATOM 435 C GLN A 36 0.267 -3.137 -2.902 1.00 0.00 C ATOM 436 O GLN A 36 1.441 -2.899 -3.149 1.00 0.00 O ATOM 437 CB GLN A 36 -1.074 -3.598 -5.008 1.00 0.00 C ATOM 438 CG GLN A 36 -2.186 -4.664 -4.706 1.00 0.00 C ATOM 439 CD GLN A 36 -2.122 -5.769 -5.769 1.00 0.00 C ATOM 440 OE1 GLN A 36 -2.795 -5.711 -6.773 1.00 0.00 O ATOM 441 NE2 GLN A 36 -1.351 -6.807 -5.570 1.00 0.00 N ATOM 0 H GLN A 36 0.425 -1.567 -5.269 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.724 -2.365 -3.292 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.356 -3.044 -5.903 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -0.144 -4.119 -5.235 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.040 -5.089 -3.713 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.169 -4.194 -4.711 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.780 -6.864 -4.727 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.321 -7.559 -6.258 1.00 0.00 H new ATOM 450 N CYS A 37 -0.177 -3.786 -1.809 1.00 0.00 N ATOM 451 CA CYS A 37 0.753 -4.414 -0.772 1.00 0.00 C ATOM 452 C CYS A 37 0.119 -5.715 -0.243 1.00 0.00 C ATOM 453 O CYS A 37 -1.090 -5.764 -0.069 1.00 0.00 O ATOM 454 CB CYS A 37 0.998 -3.450 0.437 1.00 0.00 C ATOM 455 SG CYS A 37 1.591 -1.753 0.137 1.00 0.00 S ATOM 0 H CYS A 37 -1.167 -3.905 -1.595 1.00 0.00 H new ATOM 0 HA CYS A 37 1.709 -4.616 -1.255 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.060 -3.374 0.987 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.717 -3.934 1.098 1.00 0.00 H new ATOM 460 N ALA A 38 0.984 -6.716 0.012 1.00 0.00 N ATOM 461 CA ALA A 38 0.561 -8.080 0.533 1.00 0.00 C ATOM 462 C ALA A 38 0.575 -8.108 2.075 1.00 0.00 C ATOM 463 O ALA A 38 1.641 -7.995 2.667 1.00 0.00 O ATOM 464 CB ALA A 38 1.587 -9.103 -0.013 1.00 0.00 C ATOM 0 H ALA A 38 1.991 -6.628 -0.128 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.453 -8.313 0.208 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.325 -10.102 0.335 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.575 -9.084 -1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.584 -8.844 0.344 1.00 0.00 H new ATOM 470 N ILE A 39 -0.619 -8.270 2.672 1.00 0.00 N ATOM 471 CA ILE A 39 -0.783 -8.315 4.184 1.00 0.00 C ATOM 472 C ILE A 39 -0.363 -9.737 4.652 1.00 0.00 C ATOM 473 O ILE A 39 -0.959 -10.710 4.223 1.00 0.00 O ATOM 474 CB ILE A 39 -2.334 -7.980 4.572 1.00 0.00 C ATOM 475 CG1 ILE A 39 -2.822 -6.506 4.088 1.00 0.00 C ATOM 476 CG2 ILE A 39 -2.666 -8.253 6.145 1.00 0.00 C ATOM 477 CD1 ILE A 39 -2.396 -5.260 4.950 1.00 0.00 C ATOM 0 H ILE A 39 -1.494 -8.374 2.158 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.159 -7.572 4.681 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.928 -8.692 3.999 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.454 -6.350 3.074 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.911 -6.517 4.034 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.711 -8.013 6.343 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.484 -9.302 6.378 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.025 -7.627 6.766 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.797 -4.352 4.500 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.787 -5.367 5.962 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.308 -5.197 4.986 1.00 0.00 H new ATOM 489 N LEU A 40 0.647 -9.776 5.530 1.00 0.00 N ATOM 490 CA LEU A 40 1.226 -11.053 6.128 1.00 0.00 C ATOM 491 C LEU A 40 0.602 -11.198 7.539 1.00 0.00 C ATOM 492 O LEU A 40 -0.268 -10.406 7.873 1.00 0.00 O ATOM 493 CB LEU A 40 2.800 -10.881 6.272 1.00 0.00 C ATOM 494 CG LEU A 40 3.625 -10.325 4.977 1.00 0.00 C ATOM 495 CD1 LEU A 40 5.203 -10.344 5.262 1.00 0.00 C ATOM 496 CD2 LEU A 40 3.293 -11.109 3.619 1.00 0.00 C ATOM 0 H LEU A 40 1.110 -8.932 5.868 1.00 0.00 H new ATOM 0 HA LEU A 40 1.014 -11.923 5.507 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.988 -10.204 7.105 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.219 -11.849 6.546 1.00 0.00 H new ATOM 0 HG LEU A 40 3.293 -9.298 4.826 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.735 -9.970 4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.425 -9.710 6.121 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.523 -11.365 5.472 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.877 -10.685 2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.545 -12.163 3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.231 -11.013 3.394 1.00 0.00 H new ATOM 508 N ALA A 41 1.049 -12.203 8.301 1.00 0.00 N ATOM 509 CA ALA A 41 0.532 -12.468 9.701 1.00 0.00 C ATOM 510 C ALA A 41 0.901 -11.347 10.683 1.00 0.00 C ATOM 511 O ALA A 41 0.045 -10.892 11.426 1.00 0.00 O ATOM 512 CB ALA A 41 1.177 -13.770 10.201 1.00 0.00 C ATOM 0 H ALA A 41 1.767 -12.860 7.996 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.555 -12.531 9.656 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.823 -13.988 11.209 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.905 -14.590 9.536 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.261 -13.658 10.213 1.00 0.00 H new ATOM 518 N ASP A 42 2.163 -10.913 10.606 1.00 0.00 N ATOM 519 CA ASP A 42 2.708 -9.804 11.500 1.00 0.00 C ATOM 520 C ASP A 42 2.151 -8.413 11.085 1.00 0.00 C ATOM 521 O ASP A 42 2.133 -7.498 11.900 1.00 0.00 O ATOM 522 CB ASP A 42 4.267 -9.808 11.444 1.00 0.00 C ATOM 523 CG ASP A 42 4.790 -10.172 10.057 1.00 0.00 C ATOM 524 OD1 ASP A 42 4.637 -9.344 9.188 1.00 0.00 O ATOM 525 OD2 ASP A 42 5.318 -11.266 9.949 1.00 0.00 O ATOM 0 H ASP A 42 2.847 -11.289 9.949 1.00 0.00 H new ATOM 0 HA ASP A 42 2.382 -9.994 12.523 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.642 -8.824 11.726 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.654 -10.518 12.175 1.00 0.00 H new ATOM 530 N GLY A 43 1.702 -8.318 9.825 1.00 0.00 N ATOM 531 CA GLY A 43 1.119 -7.052 9.241 1.00 0.00 C ATOM 532 C GLY A 43 2.152 -6.043 8.717 1.00 0.00 C ATOM 533 O GLY A 43 1.804 -4.870 8.638 1.00 0.00 O ATOM 0 H GLY A 43 1.722 -9.098 9.168 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.450 -7.321 8.424 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.511 -6.564 10.003 1.00 0.00 H new ATOM 537 N ARG A 44 3.372 -6.510 8.383 1.00 0.00 N ATOM 538 CA ARG A 44 4.459 -5.589 7.844 1.00 0.00 C ATOM 539 C ARG A 44 4.059 -5.174 6.415 1.00 0.00 C ATOM 540 O ARG A 44 3.564 -6.005 5.672 1.00 0.00 O ATOM 541 CB ARG A 44 5.827 -6.344 7.743 1.00 0.00 C ATOM 542 CG ARG A 44 6.565 -6.493 9.145 1.00 0.00 C ATOM 543 CD ARG A 44 7.766 -7.497 9.124 1.00 0.00 C ATOM 544 NE ARG A 44 8.599 -7.234 10.332 1.00 0.00 N ATOM 545 CZ ARG A 44 9.086 -8.241 11.005 1.00 0.00 C ATOM 546 NH1 ARG A 44 10.177 -8.815 10.579 1.00 0.00 N ATOM 547 NH2 ARG A 44 8.466 -8.638 12.083 1.00 0.00 N ATOM 0 H ARG A 44 3.650 -7.488 8.464 1.00 0.00 H new ATOM 0 HA ARG A 44 4.563 -4.734 8.512 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.658 -7.335 7.322 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.479 -5.811 7.051 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.927 -5.514 9.460 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.842 -6.821 9.892 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.405 -8.525 9.125 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.356 -7.368 8.217 1.00 0.00 H new ATOM 0 HE ARG A 44 8.787 -6.277 10.630 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.635 -8.476 9.733 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.572 -9.603 11.092 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.616 -8.163 12.387 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.832 -9.423 12.622 1.00 0.00 H new ATOM 561 N GLY A 45 4.312 -3.915 6.082 1.00 0.00 N ATOM 562 CA GLY A 45 3.973 -3.342 4.720 1.00 0.00 C ATOM 563 C GLY A 45 4.911 -3.771 3.578 1.00 0.00 C ATOM 564 O GLY A 45 5.686 -2.942 3.126 1.00 0.00 O ATOM 0 H GLY A 45 4.750 -3.245 6.714 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.955 -3.636 4.463 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.983 -2.254 4.788 1.00 0.00 H new ATOM 568 N ALA A 46 4.768 -5.020 3.113 1.00 0.00 N ATOM 569 CA ALA A 46 5.621 -5.564 1.990 1.00 0.00 C ATOM 570 C ALA A 46 4.981 -5.097 0.675 1.00 0.00 C ATOM 571 O ALA A 46 3.969 -5.650 0.277 1.00 0.00 O ATOM 572 CB ALA A 46 5.620 -7.111 2.095 1.00 0.00 C ATOM 0 H ALA A 46 4.084 -5.684 3.477 1.00 0.00 H new ATOM 0 HA ALA A 46 6.652 -5.214 2.038 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.230 -7.530 1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.031 -7.411 3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.599 -7.481 2.005 1.00 0.00 H new ATOM 578 N CYS A 47 5.562 -4.019 0.086 1.00 0.00 N ATOM 579 CA CYS A 47 5.061 -3.406 -1.222 1.00 0.00 C ATOM 580 C CYS A 47 6.206 -3.236 -2.215 1.00 0.00 C ATOM 581 O CYS A 47 7.317 -2.961 -1.803 1.00 0.00 O ATOM 582 CB CYS A 47 4.433 -2.010 -0.921 1.00 0.00 C ATOM 583 SG CYS A 47 3.544 -1.773 0.648 1.00 0.00 S ATOM 0 H CYS A 47 6.375 -3.542 0.476 1.00 0.00 H new ATOM 0 HA CYS A 47 4.317 -4.072 -1.659 1.00 0.00 H new ATOM 0 HB2 CYS A 47 5.234 -1.271 -0.962 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.742 -1.777 -1.731 1.00 0.00 H new ATOM 588 N ASN A 48 5.862 -3.398 -3.505 1.00 0.00 N ATOM 589 CA ASN A 48 6.848 -3.275 -4.651 1.00 0.00 C ATOM 590 C ASN A 48 6.871 -1.814 -5.160 1.00 0.00 C ATOM 591 O ASN A 48 5.834 -1.278 -5.522 1.00 0.00 O ATOM 592 CB ASN A 48 6.359 -4.255 -5.755 1.00 0.00 C ATOM 593 CG ASN A 48 7.157 -4.124 -7.070 1.00 0.00 C ATOM 594 OD1 ASN A 48 8.364 -3.946 -7.097 1.00 0.00 O ATOM 595 ND2 ASN A 48 6.515 -4.251 -8.195 1.00 0.00 N ATOM 0 H ASN A 48 4.912 -3.616 -3.805 1.00 0.00 H new ATOM 0 HA ASN A 48 7.865 -3.524 -4.348 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.439 -5.278 -5.387 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.304 -4.071 -5.956 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.021 -4.201 -9.079 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.506 -4.400 -8.192 1.00 0.00 H new ATOM 602 N VAL A 49 8.072 -1.226 -5.156 1.00 0.00 N ATOM 603 CA VAL A 49 8.304 0.210 -5.613 1.00 0.00 C ATOM 604 C VAL A 49 8.024 0.486 -7.124 1.00 0.00 C ATOM 605 O VAL A 49 7.648 1.592 -7.454 1.00 0.00 O ATOM 606 CB VAL A 49 9.821 0.649 -5.252 1.00 0.00 C ATOM 607 CG1 VAL A 49 9.949 1.121 -3.729 1.00 0.00 C ATOM 608 CG2 VAL A 49 10.916 -0.473 -5.603 1.00 0.00 C ATOM 0 H VAL A 49 8.921 -1.698 -4.846 1.00 0.00 H new ATOM 0 HA VAL A 49 7.571 0.809 -5.073 1.00 0.00 H new ATOM 0 HB VAL A 49 10.042 1.500 -5.897 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.980 1.408 -3.522 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.293 1.974 -3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.661 0.303 -3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 49 11.908 -0.110 -5.335 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.698 -1.382 -5.042 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.886 -0.690 -6.671 1.00 0.00 H new ATOM 618 N ALA A 50 8.130 -0.540 -7.972 1.00 0.00 N ATOM 619 CA ALA A 50 7.888 -0.388 -9.477 1.00 0.00 C ATOM 620 C ALA A 50 6.416 -0.167 -9.929 1.00 0.00 C ATOM 621 O ALA A 50 6.205 0.112 -11.099 1.00 0.00 O ATOM 622 CB ALA A 50 8.371 -1.684 -10.151 1.00 0.00 C ATOM 0 H ALA A 50 8.376 -1.487 -7.684 1.00 0.00 H new ATOM 0 HA ALA A 50 8.425 0.516 -9.764 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.215 -1.614 -11.227 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.432 -1.827 -9.947 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.809 -2.530 -9.757 1.00 0.00 H new ATOM 628 N GLU A 51 5.463 -0.235 -8.996 1.00 0.00 N ATOM 629 CA GLU A 51 3.973 -0.045 -9.304 1.00 0.00 C ATOM 630 C GLU A 51 3.567 1.449 -9.439 1.00 0.00 C ATOM 631 O GLU A 51 2.498 1.739 -9.972 1.00 0.00 O ATOM 632 CB GLU A 51 3.173 -0.642 -8.081 1.00 0.00 C ATOM 633 CG GLU A 51 3.142 -2.200 -8.011 1.00 0.00 C ATOM 634 CD GLU A 51 1.882 -2.728 -8.701 1.00 0.00 C ATOM 635 OE1 GLU A 51 1.948 -2.871 -9.910 1.00 0.00 O ATOM 636 OE2 GLU A 51 0.927 -2.964 -7.977 1.00 0.00 O ATOM 0 H GLU A 51 5.658 -0.418 -8.012 1.00 0.00 H new ATOM 0 HA GLU A 51 3.755 -0.535 -10.253 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.611 -0.261 -7.159 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.148 -0.275 -8.123 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.030 -2.612 -8.491 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.162 -2.526 -6.971 1.00 0.00 H new ATOM 643 N PHE A 52 4.461 2.344 -9.025 1.00 0.00 N ATOM 644 CA PHE A 52 4.214 3.852 -9.083 1.00 0.00 C ATOM 645 C PHE A 52 4.037 4.430 -10.507 1.00 0.00 C ATOM 646 O PHE A 52 4.432 3.796 -11.478 1.00 0.00 O ATOM 647 CB PHE A 52 5.408 4.564 -8.363 1.00 0.00 C ATOM 648 CG PHE A 52 6.570 5.054 -9.354 1.00 0.00 C ATOM 649 CD1 PHE A 52 7.448 4.122 -9.968 1.00 0.00 C ATOM 650 CD2 PHE A 52 6.846 6.434 -9.594 1.00 0.00 C ATOM 651 CE1 PHE A 52 8.511 4.542 -10.738 1.00 0.00 C ATOM 652 CE2 PHE A 52 7.920 6.813 -10.373 1.00 0.00 C ATOM 653 CZ PHE A 52 8.745 5.876 -10.940 1.00 0.00 C ATOM 0 H PHE A 52 5.371 2.090 -8.641 1.00 0.00 H new ATOM 0 HA PHE A 52 3.262 4.037 -8.586 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.026 5.425 -7.814 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.835 3.881 -7.629 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.280 3.064 -9.829 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.207 7.190 -9.161 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.167 3.811 -11.187 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.114 7.863 -10.538 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.581 6.191 -11.547 1.00 0.00 H new ATOM 663 N HIS A 53 3.420 5.612 -10.548 1.00 0.00 N ATOM 664 CA HIS A 53 3.145 6.361 -11.834 1.00 0.00 C ATOM 665 C HIS A 53 3.188 7.862 -11.576 1.00 0.00 C ATOM 666 O HIS A 53 3.793 8.578 -12.348 1.00 0.00 O ATOM 667 CB HIS A 53 1.732 5.988 -12.322 1.00 0.00 C ATOM 668 CG HIS A 53 1.809 4.826 -13.333 1.00 0.00 C ATOM 669 ND1 HIS A 53 1.833 3.593 -13.000 1.00 0.00 N ATOM 670 CD2 HIS A 53 1.854 4.839 -14.725 1.00 0.00 C ATOM 671 CE1 HIS A 53 1.888 2.876 -14.069 1.00 0.00 C ATOM 672 NE2 HIS A 53 1.902 3.589 -15.179 1.00 0.00 N ATOM 0 H HIS A 53 3.089 6.097 -9.714 1.00 0.00 H new ATOM 0 HA HIS A 53 3.895 6.098 -12.579 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.110 5.702 -11.474 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.259 6.853 -12.786 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.850 5.726 -15.341 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.920 1.797 -14.058 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.940 3.263 -16.145 1.00 0.00 H new ATOM 679 N ASP A 54 2.546 8.274 -10.473 1.00 0.00 N ATOM 680 CA ASP A 54 2.446 9.729 -9.999 1.00 0.00 C ATOM 681 C ASP A 54 1.682 10.681 -10.968 1.00 0.00 C ATOM 682 O ASP A 54 1.918 10.710 -12.165 1.00 0.00 O ATOM 683 CB ASP A 54 3.846 10.329 -9.640 1.00 0.00 C ATOM 684 CG ASP A 54 3.680 11.457 -8.611 1.00 0.00 C ATOM 685 OD1 ASP A 54 3.503 12.581 -9.056 1.00 0.00 O ATOM 686 OD2 ASP A 54 3.760 11.136 -7.434 1.00 0.00 O ATOM 0 H ASP A 54 2.063 7.624 -9.852 1.00 0.00 H new ATOM 0 HA ASP A 54 1.840 9.670 -9.095 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.494 9.550 -9.238 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.329 10.712 -10.539 1.00 0.00 H new ATOM 691 N PHE A 55 0.737 11.440 -10.384 1.00 0.00 N ATOM 692 CA PHE A 55 -0.122 12.434 -11.144 1.00 0.00 C ATOM 693 C PHE A 55 -0.660 13.472 -10.154 1.00 0.00 C ATOM 694 O PHE A 55 -0.771 13.166 -8.975 1.00 0.00 O ATOM 695 CB PHE A 55 -1.343 11.720 -11.870 1.00 0.00 C ATOM 696 CG PHE A 55 -2.363 11.017 -10.847 1.00 0.00 C ATOM 697 CD1 PHE A 55 -2.105 9.729 -10.309 1.00 0.00 C ATOM 698 CD2 PHE A 55 -3.607 11.615 -10.477 1.00 0.00 C ATOM 699 CE1 PHE A 55 -3.020 9.109 -9.482 1.00 0.00 C ATOM 700 CE2 PHE A 55 -4.494 10.955 -9.651 1.00 0.00 C ATOM 701 CZ PHE A 55 -4.203 9.715 -9.160 1.00 0.00 C ATOM 0 H PHE A 55 0.530 11.401 -9.386 1.00 0.00 H new ATOM 0 HA PHE A 55 0.492 12.907 -11.910 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -1.884 12.456 -12.465 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.958 10.971 -12.562 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.180 9.227 -10.550 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.857 12.598 -10.849 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.798 8.130 -9.083 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.430 11.426 -9.390 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.909 9.211 -8.516 1.00 0.00 H new ATOM 711 N SER A 56 -0.954 14.663 -10.694 1.00 0.00 N ATOM 712 CA SER A 56 -1.500 15.845 -9.926 1.00 0.00 C ATOM 713 C SER A 56 -2.866 16.203 -10.503 1.00 0.00 C ATOM 714 O SER A 56 -3.048 16.088 -11.704 1.00 0.00 O ATOM 715 CB SER A 56 -0.559 17.033 -10.167 1.00 0.00 C ATOM 716 OG SER A 56 0.587 16.732 -9.386 1.00 0.00 O ATOM 0 H SER A 56 -0.826 14.859 -11.687 1.00 0.00 H new ATOM 0 HA SER A 56 -1.580 15.614 -8.864 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.307 17.134 -11.223 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.016 17.973 -9.858 1.00 0.00 H new ATOM 0 HG SER A 56 1.248 17.449 -9.485 1.00 0.00 H new ATOM 722 N LEU A 57 -3.759 16.682 -9.638 1.00 0.00 N ATOM 723 CA LEU A 57 -5.159 17.079 -10.061 1.00 0.00 C ATOM 724 C LEU A 57 -5.105 18.466 -10.709 1.00 0.00 C ATOM 725 O LEU A 57 -4.164 19.208 -10.458 1.00 0.00 O ATOM 726 CB LEU A 57 -6.094 17.195 -8.788 1.00 0.00 C ATOM 727 CG LEU A 57 -6.024 15.996 -7.676 1.00 0.00 C ATOM 728 CD1 LEU A 57 -7.173 16.180 -6.576 1.00 0.00 C ATOM 729 CD2 LEU A 57 -6.086 14.518 -8.299 1.00 0.00 C ATOM 0 H LEU A 57 -3.570 16.815 -8.645 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.545 16.329 -10.752 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.859 18.133 -8.284 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.124 17.270 -9.135 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.043 16.086 -7.209 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.110 15.373 -5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.044 17.137 -6.071 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.149 16.155 -7.061 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.034 13.782 -7.496 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.020 14.393 -8.846 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.246 14.374 -8.978 1.00 0.00 H new ATOM 741 N SER A 58 -6.106 18.720 -11.573 1.00 0.00 N ATOM 742 CA SER A 58 -6.267 20.025 -12.341 1.00 0.00 C ATOM 743 C SER A 58 -7.729 20.508 -12.289 1.00 0.00 C ATOM 744 O SER A 58 -8.120 21.406 -13.025 1.00 0.00 O ATOM 745 CB SER A 58 -5.856 19.760 -13.812 1.00 0.00 C ATOM 746 OG SER A 58 -6.972 19.089 -14.382 1.00 0.00 O ATOM 0 H SER A 58 -6.840 18.042 -11.777 1.00 0.00 H new ATOM 0 HA SER A 58 -5.641 20.799 -11.896 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.643 20.691 -14.338 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.955 19.149 -13.868 1.00 0.00 H new ATOM 0 HG SER A 58 -6.787 18.887 -15.323 1.00 0.00 H new ATOM 752 N GLY A 59 -8.474 19.933 -11.363 1.00 0.00 N ATOM 753 CA GLY A 59 -9.916 20.278 -11.170 1.00 0.00 C ATOM 754 C GLY A 59 -10.471 19.375 -10.080 1.00 0.00 C ATOM 755 O GLY A 59 -10.849 19.852 -9.022 1.00 0.00 O ATOM 0 H GLY A 59 -8.126 19.221 -10.720 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.023 21.326 -10.889 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.469 20.139 -12.099 1.00 0.00 H new ATOM 759 N GLY A 60 -10.440 18.086 -10.373 1.00 0.00 N ATOM 760 CA GLY A 60 -10.950 17.044 -9.411 1.00 0.00 C ATOM 761 C GLY A 60 -11.064 15.665 -10.079 1.00 0.00 C ATOM 762 O GLY A 60 -11.883 14.879 -9.636 1.00 0.00 O ATOM 0 H GLY A 60 -10.078 17.710 -11.249 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.279 16.980 -8.554 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.926 17.346 -9.030 1.00 0.00 H new ATOM 766 N GLU A 61 -10.269 15.440 -11.145 1.00 0.00 N ATOM 767 CA GLU A 61 -10.252 14.122 -11.934 1.00 0.00 C ATOM 768 C GLU A 61 -8.797 13.763 -12.264 1.00 0.00 C ATOM 769 O GLU A 61 -7.963 14.656 -12.347 1.00 0.00 O ATOM 770 CB GLU A 61 -10.991 14.272 -13.316 1.00 0.00 C ATOM 771 CG GLU A 61 -12.414 14.893 -13.244 1.00 0.00 C ATOM 772 CD GLU A 61 -13.156 14.559 -14.539 1.00 0.00 C ATOM 773 OE1 GLU A 61 -12.912 15.268 -15.501 1.00 0.00 O ATOM 774 OE2 GLU A 61 -13.926 13.614 -14.494 1.00 0.00 O ATOM 0 H GLU A 61 -9.617 16.136 -11.506 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.744 13.365 -11.324 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.377 14.888 -13.973 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.065 13.288 -13.779 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.956 14.499 -12.384 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.350 15.973 -13.112 1.00 0.00 H new ATOM 781 N GLY A 62 -8.535 12.460 -12.437 1.00 0.00 N ATOM 782 CA GLY A 62 -7.141 11.975 -12.768 1.00 0.00 C ATOM 783 C GLY A 62 -7.070 10.442 -12.878 1.00 0.00 C ATOM 784 O GLY A 62 -6.524 9.801 -11.995 1.00 0.00 O ATOM 0 H GLY A 62 -9.234 11.721 -12.361 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.817 12.420 -13.709 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.448 12.315 -11.999 1.00 0.00 H new ATOM 788 N THR A 63 -7.599 9.923 -13.984 1.00 0.00 N ATOM 789 CA THR A 63 -7.620 8.431 -14.267 1.00 0.00 C ATOM 790 C THR A 63 -6.208 7.957 -14.663 1.00 0.00 C ATOM 791 O THR A 63 -5.435 8.758 -15.166 1.00 0.00 O ATOM 792 CB THR A 63 -8.578 8.237 -15.492 1.00 0.00 C ATOM 793 OG1 THR A 63 -9.647 9.130 -15.248 1.00 0.00 O ATOM 794 CG2 THR A 63 -9.295 6.853 -15.601 1.00 0.00 C ATOM 0 H THR A 63 -8.027 10.487 -14.718 1.00 0.00 H new ATOM 0 HA THR A 63 -7.947 7.866 -13.394 1.00 0.00 H new ATOM 0 HB THR A 63 -7.968 8.369 -16.386 1.00 0.00 H new ATOM 0 HG1 THR A 63 -10.297 9.070 -15.979 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.929 6.841 -16.487 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.549 6.062 -15.677 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.908 6.690 -14.714 1.00 0.00 H new ATOM 802 N THR A 64 -5.903 6.673 -14.363 1.00 0.00 N ATOM 803 CA THR A 64 -4.540 6.041 -14.692 1.00 0.00 C ATOM 804 C THR A 64 -4.647 4.496 -14.795 1.00 0.00 C ATOM 805 O THR A 64 -5.408 3.899 -14.047 1.00 0.00 O ATOM 806 CB THR A 64 -3.430 6.447 -13.621 1.00 0.00 C ATOM 807 OG1 THR A 64 -2.217 5.851 -14.077 1.00 0.00 O ATOM 808 CG2 THR A 64 -3.611 5.878 -12.164 1.00 0.00 C ATOM 0 H THR A 64 -6.552 6.036 -13.900 1.00 0.00 H new ATOM 0 HA THR A 64 -4.233 6.432 -15.662 1.00 0.00 H new ATOM 0 HB THR A 64 -3.472 7.534 -13.552 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.492 6.069 -13.455 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.793 6.226 -11.533 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.559 6.225 -11.753 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.606 4.788 -12.196 1.00 0.00 H new ATOM 816 N SER A 65 -3.842 3.933 -15.720 1.00 0.00 N ATOM 817 CA SER A 65 -3.766 2.443 -16.004 1.00 0.00 C ATOM 818 C SER A 65 -2.512 1.859 -15.336 1.00 0.00 C ATOM 819 O SER A 65 -1.475 2.501 -15.394 1.00 0.00 O ATOM 820 CB SER A 65 -3.597 2.280 -17.520 1.00 0.00 C ATOM 821 OG SER A 65 -4.903 2.480 -18.038 1.00 0.00 O ATOM 0 H SER A 65 -3.214 4.483 -16.306 1.00 0.00 H new ATOM 0 HA SER A 65 -4.658 1.940 -15.631 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.893 3.008 -17.923 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.214 1.292 -17.774 1.00 0.00 H new ATOM 0 HG SER A 65 -4.885 2.394 -19.014 1.00 0.00 H new ATOM 827 N VAL A 66 -2.670 0.680 -14.694 1.00 0.00 N ATOM 828 CA VAL A 66 -1.542 -0.065 -13.966 1.00 0.00 C ATOM 829 C VAL A 66 -1.651 -1.541 -14.386 1.00 0.00 C ATOM 830 O VAL A 66 -2.727 -1.948 -14.795 1.00 0.00 O ATOM 831 CB VAL A 66 -1.712 -0.045 -12.349 1.00 0.00 C ATOM 832 CG1 VAL A 66 -0.311 -0.012 -11.575 1.00 0.00 C ATOM 833 CG2 VAL A 66 -2.694 1.091 -11.811 1.00 0.00 C ATOM 0 H VAL A 66 -3.566 0.195 -14.648 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.597 0.414 -14.223 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.193 -0.996 -12.120 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.490 0.000 -10.500 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.270 -0.896 -11.836 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.242 0.883 -11.861 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.753 1.036 -10.724 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.314 2.069 -12.105 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.687 0.944 -12.236 1.00 0.00 H new ATOM 843 N VAL A 67 -0.516 -2.258 -14.288 1.00 0.00 N ATOM 844 CA VAL A 67 -0.384 -3.741 -14.644 1.00 0.00 C ATOM 845 C VAL A 67 0.037 -4.406 -13.312 1.00 0.00 C ATOM 846 O VAL A 67 0.859 -3.832 -12.607 1.00 0.00 O ATOM 847 CB VAL A 67 0.738 -3.980 -15.796 1.00 0.00 C ATOM 848 CG1 VAL A 67 0.607 -5.427 -16.484 1.00 0.00 C ATOM 849 CG2 VAL A 67 0.695 -2.824 -16.896 1.00 0.00 C ATOM 0 H VAL A 67 0.359 -1.850 -13.960 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.307 -4.154 -15.050 1.00 0.00 H new ATOM 0 HB VAL A 67 1.708 -3.945 -15.300 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.378 -5.539 -17.246 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.730 -6.202 -15.727 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.376 -5.523 -16.945 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.457 -3.013 -17.652 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.288 -2.807 -17.368 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.886 -1.862 -16.420 1.00 0.00 H new ATOM 859 N VAL A 68 -0.619 -5.553 -12.983 1.00 0.00 N ATOM 860 CA VAL A 68 -0.345 -6.358 -11.700 1.00 0.00 C ATOM 861 C VAL A 68 -0.166 -7.879 -12.022 1.00 0.00 C ATOM 862 O VAL A 68 -0.981 -8.466 -12.723 1.00 0.00 O ATOM 863 CB VAL A 68 -1.513 -6.099 -10.579 1.00 0.00 C ATOM 864 CG1 VAL A 68 -1.664 -4.548 -10.233 1.00 0.00 C ATOM 865 CG2 VAL A 68 -2.944 -6.729 -10.953 1.00 0.00 C ATOM 0 H VAL A 68 -1.345 -5.963 -13.570 1.00 0.00 H new ATOM 0 HA VAL A 68 0.593 -6.006 -11.270 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.168 -6.633 -9.693 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.447 -4.416 -9.487 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.721 -4.169 -9.839 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.927 -3.998 -11.136 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.657 -6.511 -10.158 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.299 -6.295 -11.888 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.848 -7.809 -11.067 1.00 0.00 H new ATOM 875 N ARG A 69 0.974 -8.420 -11.557 1.00 0.00 N ATOM 876 CA ARG A 69 1.372 -9.881 -11.739 1.00 0.00 C ATOM 877 C ARG A 69 0.830 -10.681 -10.535 1.00 0.00 C ATOM 878 O ARG A 69 0.557 -10.081 -9.507 1.00 0.00 O ATOM 879 CB ARG A 69 2.948 -9.951 -11.747 1.00 0.00 C ATOM 880 CG ARG A 69 3.625 -9.445 -13.097 1.00 0.00 C ATOM 881 CD ARG A 69 3.877 -10.555 -14.170 1.00 0.00 C ATOM 882 NE ARG A 69 4.165 -9.875 -15.465 1.00 0.00 N ATOM 883 CZ ARG A 69 5.021 -10.409 -16.293 1.00 0.00 C ATOM 884 NH1 ARG A 69 4.639 -11.410 -17.037 1.00 0.00 N ATOM 885 NH2 ARG A 69 6.232 -9.924 -16.348 1.00 0.00 N ATOM 0 H ARG A 69 1.666 -7.879 -11.039 1.00 0.00 H new ATOM 0 HA ARG A 69 0.971 -10.291 -12.666 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.330 -9.355 -10.918 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.254 -10.981 -11.566 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.992 -8.674 -13.536 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.577 -8.974 -12.853 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.714 -11.188 -13.876 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.005 -11.202 -14.263 1.00 0.00 H new ATOM 0 HE ARG A 69 3.697 -9.000 -15.702 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.685 -11.763 -16.966 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.295 -11.840 -17.690 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.495 -9.141 -15.750 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.915 -10.328 -16.989 1.00 0.00 H new ATOM 899 N ARG A 70 0.702 -12.011 -10.696 1.00 0.00 N ATOM 900 CA ARG A 70 0.181 -12.931 -9.594 1.00 0.00 C ATOM 901 C ARG A 70 1.191 -13.062 -8.410 1.00 0.00 C ATOM 902 O ARG A 70 0.764 -13.391 -7.314 1.00 0.00 O ATOM 903 CB ARG A 70 -0.012 -14.353 -10.251 1.00 0.00 C ATOM 904 CG ARG A 70 -1.189 -15.239 -9.617 1.00 0.00 C ATOM 905 CD ARG A 70 -1.105 -16.751 -10.003 1.00 0.00 C ATOM 906 NE ARG A 70 -2.426 -17.370 -9.698 1.00 0.00 N ATOM 907 CZ ARG A 70 -3.096 -17.953 -10.654 1.00 0.00 C ATOM 908 NH1 ARG A 70 -3.911 -17.238 -11.380 1.00 0.00 N ATOM 909 NH2 ARG A 70 -2.930 -19.232 -10.853 1.00 0.00 N ATOM 0 H ARG A 70 0.942 -12.497 -11.560 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.744 -12.522 -9.188 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.210 -14.221 -11.315 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.924 -14.905 -10.167 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -1.159 -15.147 -8.531 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.150 -14.841 -9.944 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.865 -16.863 -11.060 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.312 -17.246 -9.442 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.803 -17.338 -8.751 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.016 -16.240 -11.196 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.443 -17.677 -12.132 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.285 -19.760 -10.266 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.446 -19.704 -11.596 1.00 0.00 H new ATOM 923 N SER A 71 2.486 -12.819 -8.694 1.00 0.00 N ATOM 924 CA SER A 71 3.621 -12.898 -7.668 1.00 0.00 C ATOM 925 C SER A 71 4.636 -11.788 -7.941 1.00 0.00 C ATOM 926 O SER A 71 4.794 -11.407 -9.086 1.00 0.00 O ATOM 927 CB SER A 71 4.347 -14.242 -7.849 1.00 0.00 C ATOM 928 OG SER A 71 3.417 -15.221 -7.413 1.00 0.00 O ATOM 0 H SER A 71 2.806 -12.561 -9.628 1.00 0.00 H new ATOM 0 HA SER A 71 3.210 -12.798 -6.663 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.630 -14.401 -8.890 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.264 -14.278 -7.261 1.00 0.00 H new ATOM 0 HG SER A 71 3.814 -16.112 -7.502 1.00 0.00 H new ATOM 934 N PHE A 72 5.266 -11.271 -6.868 1.00 0.00 N ATOM 935 CA PHE A 72 6.303 -10.156 -7.007 1.00 0.00 C ATOM 936 C PHE A 72 7.245 -10.093 -5.800 1.00 0.00 C ATOM 937 O PHE A 72 6.851 -10.433 -4.694 1.00 0.00 O ATOM 938 CB PHE A 72 5.586 -8.763 -7.198 1.00 0.00 C ATOM 939 CG PHE A 72 4.256 -8.614 -6.308 1.00 0.00 C ATOM 940 CD1 PHE A 72 4.309 -8.218 -4.940 1.00 0.00 C ATOM 941 CD2 PHE A 72 2.955 -8.839 -6.844 1.00 0.00 C ATOM 942 CE1 PHE A 72 3.155 -8.070 -4.198 1.00 0.00 C ATOM 943 CE2 PHE A 72 1.828 -8.677 -6.065 1.00 0.00 C ATOM 944 CZ PHE A 72 1.928 -8.297 -4.755 1.00 0.00 C ATOM 0 H PHE A 72 5.102 -11.577 -5.909 1.00 0.00 H new ATOM 0 HA PHE A 72 6.905 -10.382 -7.887 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.281 -7.964 -6.939 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.329 -8.634 -8.249 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.267 -8.031 -4.477 1.00 0.00 H new ATOM 0 HD2 PHE A 72 2.850 -9.141 -7.876 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.223 -7.771 -3.163 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.853 -8.853 -6.496 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.035 -8.176 -4.159 1.00 0.00 H new ATOM 954 N THR A 73 8.486 -9.674 -6.096 1.00 0.00 N ATOM 955 CA THR A 73 9.577 -9.530 -5.080 1.00 0.00 C ATOM 956 C THR A 73 9.246 -8.350 -4.145 1.00 0.00 C ATOM 957 O THR A 73 9.435 -7.200 -4.517 1.00 0.00 O ATOM 958 CB THR A 73 10.889 -9.275 -5.906 1.00 0.00 C ATOM 959 OG1 THR A 73 11.197 -10.547 -6.442 1.00 0.00 O ATOM 960 CG2 THR A 73 12.192 -8.919 -5.100 1.00 0.00 C ATOM 0 H THR A 73 8.775 -9.422 -7.041 1.00 0.00 H new ATOM 0 HA THR A 73 9.691 -10.410 -4.448 1.00 0.00 H new ATOM 0 HB THR A 73 10.677 -8.436 -6.568 1.00 0.00 H new ATOM 0 HG1 THR A 73 12.012 -10.486 -6.982 1.00 0.00 H new ATOM 0 HG21 THR A 73 13.019 -8.769 -5.794 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.028 -8.006 -4.528 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.433 -9.735 -4.419 1.00 0.00 H new ATOM 968 N GLY A 74 8.767 -8.699 -2.954 1.00 0.00 N ATOM 969 CA GLY A 74 8.387 -7.685 -1.907 1.00 0.00 C ATOM 970 C GLY A 74 9.636 -7.024 -1.297 1.00 0.00 C ATOM 971 O GLY A 74 10.707 -7.613 -1.345 1.00 0.00 O ATOM 0 H GLY A 74 8.624 -9.667 -2.666 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.748 -6.922 -2.351 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.807 -8.169 -1.121 1.00 0.00 H new ATOM 975 N TYR A 75 9.436 -5.804 -0.779 1.00 0.00 N ATOM 976 CA TYR A 75 10.519 -4.967 -0.127 1.00 0.00 C ATOM 977 C TYR A 75 9.918 -4.285 1.120 1.00 0.00 C ATOM 978 O TYR A 75 8.919 -3.581 1.007 1.00 0.00 O ATOM 979 CB TYR A 75 10.982 -3.911 -1.182 1.00 0.00 C ATOM 980 CG TYR A 75 12.045 -2.872 -0.593 1.00 0.00 C ATOM 981 CD1 TYR A 75 13.413 -3.214 -0.476 1.00 0.00 C ATOM 982 CD2 TYR A 75 11.696 -1.536 -0.243 1.00 0.00 C ATOM 983 CE1 TYR A 75 14.345 -2.287 -0.057 1.00 0.00 C ATOM 984 CE2 TYR A 75 12.659 -0.640 0.173 1.00 0.00 C ATOM 985 CZ TYR A 75 13.978 -1.006 0.268 1.00 0.00 C ATOM 986 OH TYR A 75 14.926 -0.093 0.688 1.00 0.00 O ATOM 0 H TYR A 75 8.525 -5.346 -0.788 1.00 0.00 H new ATOM 0 HA TYR A 75 11.374 -5.566 0.187 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.420 -4.426 -2.037 1.00 0.00 H new ATOM 0 HB3 TYR A 75 10.113 -3.366 -1.549 1.00 0.00 H new ATOM 0 HD1 TYR A 75 13.733 -4.217 -0.719 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.665 -1.221 -0.304 1.00 0.00 H new ATOM 0 HE1 TYR A 75 15.383 -2.575 0.016 1.00 0.00 H new ATOM 0 HE2 TYR A 75 12.369 0.368 0.429 1.00 0.00 H new ATOM 0 HH TYR A 75 14.493 0.766 0.876 1.00 0.00 H new ATOM 996 N VAL A 76 10.557 -4.541 2.273 1.00 0.00 N ATOM 997 CA VAL A 76 10.119 -3.966 3.616 1.00 0.00 C ATOM 998 C VAL A 76 10.478 -2.451 3.600 1.00 0.00 C ATOM 999 O VAL A 76 11.458 -2.075 2.978 1.00 0.00 O ATOM 1000 CB VAL A 76 10.852 -4.705 4.864 1.00 0.00 C ATOM 1001 CG1 VAL A 76 9.940 -4.693 6.194 1.00 0.00 C ATOM 1002 CG2 VAL A 76 11.331 -6.195 4.537 1.00 0.00 C ATOM 0 H VAL A 76 11.381 -5.139 2.333 1.00 0.00 H new ATOM 0 HA VAL A 76 9.049 -4.122 3.752 1.00 0.00 H new ATOM 0 HB VAL A 76 11.751 -4.116 5.049 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.469 -5.197 7.003 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.732 -3.663 6.483 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.001 -5.211 5.996 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.811 -6.624 5.416 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.469 -6.802 4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.040 -6.176 3.710 1.00 0.00 H new ATOM 1012 N MET A 77 9.661 -1.652 4.287 1.00 0.00 N ATOM 1013 CA MET A 77 9.832 -0.139 4.386 1.00 0.00 C ATOM 1014 C MET A 77 11.230 0.482 4.861 1.00 0.00 C ATOM 1015 O MET A 77 11.671 1.329 4.098 1.00 0.00 O ATOM 1016 CB MET A 77 8.540 0.388 5.153 1.00 0.00 C ATOM 1017 CG MET A 77 8.479 1.912 5.533 1.00 0.00 C ATOM 1018 SD MET A 77 9.214 2.447 7.135 1.00 0.00 S ATOM 1019 CE MET A 77 8.417 4.067 7.443 1.00 0.00 C ATOM 0 H MET A 77 8.853 -2.001 4.802 1.00 0.00 H new ATOM 0 HA MET A 77 9.904 0.250 3.370 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.670 0.162 4.536 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.438 -0.190 6.072 1.00 0.00 H new ATOM 0 HG2 MET A 77 8.972 2.472 4.738 1.00 0.00 H new ATOM 0 HG3 MET A 77 7.431 2.212 5.532 1.00 0.00 H new ATOM 0 HE1 MET A 77 8.785 4.481 8.382 1.00 0.00 H new ATOM 0 HE2 MET A 77 8.654 4.750 6.627 1.00 0.00 H new ATOM 0 HE3 MET A 77 7.337 3.935 7.504 1.00 0.00 H new ATOM 1029 N PRO A 78 11.918 0.132 6.025 1.00 0.00 N ATOM 1030 CA PRO A 78 13.235 0.788 6.387 1.00 0.00 C ATOM 1031 C PRO A 78 14.417 0.472 5.424 1.00 0.00 C ATOM 1032 O PRO A 78 14.904 1.416 4.829 1.00 0.00 O ATOM 1033 CB PRO A 78 13.531 0.312 7.832 1.00 0.00 C ATOM 1034 CG PRO A 78 12.633 -0.897 8.099 1.00 0.00 C ATOM 1035 CD PRO A 78 11.502 -0.868 7.062 1.00 0.00 C ATOM 0 HA PRO A 78 13.142 1.871 6.301 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.582 0.043 7.942 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.329 1.108 8.549 1.00 0.00 H new ATOM 0 HG2 PRO A 78 13.203 -1.823 8.020 1.00 0.00 H new ATOM 0 HG3 PRO A 78 12.228 -0.858 9.110 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.355 -1.852 6.618 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.557 -0.582 7.523 1.00 0.00 H new ATOM 1043 N ASP A 79 14.835 -0.817 5.288 1.00 0.00 N ATOM 1044 CA ASP A 79 15.992 -1.205 4.361 1.00 0.00 C ATOM 1045 C ASP A 79 15.982 -2.701 3.986 1.00 0.00 C ATOM 1046 O ASP A 79 16.116 -3.004 2.810 1.00 0.00 O ATOM 1047 CB ASP A 79 17.362 -0.925 5.061 1.00 0.00 C ATOM 1048 CG ASP A 79 17.969 0.414 4.611 1.00 0.00 C ATOM 1049 OD1 ASP A 79 18.612 0.401 3.571 1.00 0.00 O ATOM 1050 OD2 ASP A 79 17.783 1.367 5.350 1.00 0.00 O ATOM 0 H ASP A 79 14.416 -1.603 5.784 1.00 0.00 H new ATOM 0 HA ASP A 79 15.864 -0.606 3.459 1.00 0.00 H new ATOM 0 HB2 ASP A 79 17.223 -0.916 6.142 1.00 0.00 H new ATOM 0 HB3 ASP A 79 18.057 -1.734 4.836 1.00 0.00 H new ATOM 1055 N GLY A 80 15.817 -3.585 4.981 1.00 0.00 N ATOM 1056 CA GLY A 80 15.803 -5.079 4.718 1.00 0.00 C ATOM 1057 C GLY A 80 15.627 -5.847 6.082 1.00 0.00 C ATOM 1058 O GLY A 80 15.350 -5.154 7.048 1.00 0.00 O ATOM 0 H GLY A 80 15.692 -3.327 5.960 1.00 0.00 H new ATOM 0 HA2 GLY A 80 14.990 -5.332 4.037 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.731 -5.383 4.233 1.00 0.00 H new ATOM 1062 N PRO A 81 15.768 -7.245 6.200 1.00 0.00 N ATOM 1063 CA PRO A 81 16.101 -8.272 5.116 1.00 0.00 C ATOM 1064 C PRO A 81 14.941 -8.505 4.136 1.00 0.00 C ATOM 1065 O PRO A 81 13.793 -8.511 4.562 1.00 0.00 O ATOM 1066 CB PRO A 81 16.336 -9.589 5.886 1.00 0.00 C ATOM 1067 CG PRO A 81 15.826 -9.398 7.322 1.00 0.00 C ATOM 1068 CD PRO A 81 15.586 -7.902 7.543 1.00 0.00 C ATOM 0 HA PRO A 81 16.950 -7.927 4.526 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.811 -10.412 5.402 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.396 -9.845 5.889 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.904 -9.959 7.477 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.554 -9.777 8.039 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.584 -7.722 7.932 1.00 0.00 H new ATOM 0 HD3 PRO A 81 16.288 -7.498 8.272 1.00 0.00 H new ATOM 1076 N GLU A 82 15.294 -8.694 2.857 1.00 0.00 N ATOM 1077 CA GLU A 82 14.284 -8.938 1.753 1.00 0.00 C ATOM 1078 C GLU A 82 13.618 -10.330 1.930 1.00 0.00 C ATOM 1079 O GLU A 82 14.295 -11.288 2.287 1.00 0.00 O ATOM 1080 CB GLU A 82 15.081 -8.867 0.387 1.00 0.00 C ATOM 1081 CG GLU A 82 14.233 -8.431 -0.851 1.00 0.00 C ATOM 1082 CD GLU A 82 15.037 -8.756 -2.112 1.00 0.00 C ATOM 1083 OE1 GLU A 82 15.879 -7.936 -2.442 1.00 0.00 O ATOM 1084 OE2 GLU A 82 14.766 -9.804 -2.674 1.00 0.00 O ATOM 0 H GLU A 82 16.262 -8.687 2.536 1.00 0.00 H new ATOM 0 HA GLU A 82 13.487 -8.195 1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.911 -8.170 0.504 1.00 0.00 H new ATOM 0 HB3 GLU A 82 15.514 -9.847 0.185 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.278 -8.955 -0.862 1.00 0.00 H new ATOM 0 HG3 GLU A 82 14.011 -7.365 -0.805 1.00 0.00 H new ATOM 1091 N VAL A 83 12.301 -10.359 1.681 1.00 0.00 N ATOM 1092 CA VAL A 83 11.455 -11.622 1.796 1.00 0.00 C ATOM 1093 C VAL A 83 11.608 -12.518 0.553 1.00 0.00 C ATOM 1094 O VAL A 83 11.589 -13.733 0.689 1.00 0.00 O ATOM 1095 CB VAL A 83 9.895 -11.264 2.008 1.00 0.00 C ATOM 1096 CG1 VAL A 83 9.522 -11.177 3.560 1.00 0.00 C ATOM 1097 CG2 VAL A 83 9.395 -9.955 1.233 1.00 0.00 C ATOM 0 H VAL A 83 11.770 -9.536 1.396 1.00 0.00 H new ATOM 0 HA VAL A 83 11.817 -12.166 2.668 1.00 0.00 H new ATOM 0 HB VAL A 83 9.357 -12.096 1.553 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.465 -10.934 3.667 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.724 -12.136 4.037 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.122 -10.401 4.036 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.336 -9.795 1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.965 -9.090 1.574 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.544 -10.088 0.161 1.00 0.00 H new ATOM 1107 N GLY A 84 11.716 -11.876 -0.600 1.00 0.00 N ATOM 1108 CA GLY A 84 11.874 -12.559 -1.921 1.00 0.00 C ATOM 1109 C GLY A 84 10.499 -12.830 -2.506 1.00 0.00 C ATOM 1110 O GLY A 84 9.518 -12.268 -2.043 1.00 0.00 O ATOM 0 H GLY A 84 11.699 -10.859 -0.670 1.00 0.00 H new ATOM 0 HA2 GLY A 84 12.456 -11.935 -2.600 1.00 0.00 H new ATOM 0 HA3 GLY A 84 12.422 -13.493 -1.798 1.00 0.00 H new ATOM 1114 N ALA A 85 10.510 -13.643 -3.535 1.00 0.00 N ATOM 1115 CA ALA A 85 9.265 -14.053 -4.275 1.00 0.00 C ATOM 1116 C ALA A 85 8.263 -14.820 -3.384 1.00 0.00 C ATOM 1117 O ALA A 85 8.565 -15.927 -2.950 1.00 0.00 O ATOM 1118 CB ALA A 85 9.708 -14.962 -5.441 1.00 0.00 C ATOM 0 H ALA A 85 11.364 -14.057 -3.909 1.00 0.00 H new ATOM 0 HA ALA A 85 8.751 -13.156 -4.620 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.832 -15.283 -6.005 1.00 0.00 H new ATOM 0 HB2 ALA A 85 10.381 -14.410 -6.098 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.224 -15.836 -5.045 1.00 0.00 H new ATOM 1124 N VAL A 86 7.143 -14.124 -3.082 1.00 0.00 N ATOM 1125 CA VAL A 86 6.006 -14.656 -2.229 1.00 0.00 C ATOM 1126 C VAL A 86 4.680 -14.416 -2.996 1.00 0.00 C ATOM 1127 O VAL A 86 4.492 -13.361 -3.587 1.00 0.00 O ATOM 1128 CB VAL A 86 6.069 -13.953 -0.765 1.00 0.00 C ATOM 1129 CG1 VAL A 86 5.668 -12.401 -0.744 1.00 0.00 C ATOM 1130 CG2 VAL A 86 5.285 -14.787 0.351 1.00 0.00 C ATOM 0 H VAL A 86 6.982 -13.173 -3.414 1.00 0.00 H new ATOM 0 HA VAL A 86 6.083 -15.729 -2.051 1.00 0.00 H new ATOM 0 HB VAL A 86 7.128 -13.972 -0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.740 -12.020 0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.345 -11.841 -1.389 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.646 -12.284 -1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.359 -14.272 1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.236 -14.877 0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.724 -15.781 0.438 1.00 0.00 H new ATOM 1140 N ASP A 87 3.829 -15.435 -2.966 1.00 0.00 N ATOM 1141 CA ASP A 87 2.490 -15.391 -3.653 1.00 0.00 C ATOM 1142 C ASP A 87 1.477 -14.650 -2.779 1.00 0.00 C ATOM 1143 O ASP A 87 1.527 -14.768 -1.569 1.00 0.00 O ATOM 1144 CB ASP A 87 2.004 -16.841 -3.834 1.00 0.00 C ATOM 1145 CG ASP A 87 2.625 -17.426 -5.104 1.00 0.00 C ATOM 1146 OD1 ASP A 87 3.825 -17.645 -5.069 1.00 0.00 O ATOM 1147 OD2 ASP A 87 1.864 -17.620 -6.038 1.00 0.00 O ATOM 0 H ASP A 87 4.018 -16.312 -2.481 1.00 0.00 H new ATOM 0 HA ASP A 87 2.583 -14.879 -4.611 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.284 -17.441 -2.968 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.916 -16.867 -3.902 1.00 0.00 H new ATOM 1152 N CYS A 88 0.590 -13.920 -3.430 1.00 0.00 N ATOM 1153 CA CYS A 88 -0.476 -13.124 -2.728 1.00 0.00 C ATOM 1154 C CYS A 88 -1.632 -14.004 -2.204 1.00 0.00 C ATOM 1155 O CYS A 88 -2.170 -13.737 -1.141 1.00 0.00 O ATOM 1156 CB CYS A 88 -1.044 -12.160 -3.784 1.00 0.00 C ATOM 1157 SG CYS A 88 -2.564 -11.282 -3.384 1.00 0.00 S ATOM 0 H CYS A 88 0.563 -13.843 -4.447 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.041 -12.622 -1.863 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.277 -11.418 -4.008 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -1.215 -12.728 -4.699 1.00 0.00 H new ATOM 1162 N ASP A 89 -1.945 -15.043 -2.963 1.00 0.00 N ATOM 1163 CA ASP A 89 -3.056 -16.012 -2.616 1.00 0.00 C ATOM 1164 C ASP A 89 -2.831 -16.898 -1.369 1.00 0.00 C ATOM 1165 O ASP A 89 -3.812 -17.280 -0.749 1.00 0.00 O ATOM 1166 CB ASP A 89 -3.201 -16.963 -3.818 1.00 0.00 C ATOM 1167 CG ASP A 89 -3.465 -16.159 -5.099 1.00 0.00 C ATOM 1168 OD1 ASP A 89 -4.626 -15.852 -5.317 1.00 0.00 O ATOM 1169 OD2 ASP A 89 -2.492 -15.910 -5.794 1.00 0.00 O ATOM 0 H ASP A 89 -1.462 -15.265 -3.834 1.00 0.00 H new ATOM 0 HA ASP A 89 -3.929 -15.399 -2.390 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -2.294 -17.557 -3.933 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -4.020 -17.661 -3.642 1.00 0.00 H new ATOM 1174 N THR A 90 -1.572 -17.133 -1.000 1.00 0.00 N ATOM 1175 CA THR A 90 -1.236 -18.006 0.212 1.00 0.00 C ATOM 1176 C THR A 90 -1.384 -17.253 1.547 1.00 0.00 C ATOM 1177 O THR A 90 -1.656 -17.901 2.555 1.00 0.00 O ATOM 1178 CB THR A 90 0.255 -18.475 0.110 1.00 0.00 C ATOM 1179 OG1 THR A 90 0.965 -17.364 -0.380 1.00 0.00 O ATOM 1180 CG2 THR A 90 0.531 -19.592 -0.946 1.00 0.00 C ATOM 0 H THR A 90 -0.758 -16.758 -1.486 1.00 0.00 H new ATOM 0 HA THR A 90 -1.936 -18.842 0.201 1.00 0.00 H new ATOM 0 HB THR A 90 0.532 -18.858 1.092 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.914 -17.594 -0.466 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.591 -19.846 -0.938 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.056 -20.477 -0.701 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.251 -19.234 -1.937 1.00 0.00 H new ATOM 1188 N ALA A 91 -1.268 -15.915 1.509 1.00 0.00 N ATOM 1189 CA ALA A 91 -1.392 -15.064 2.777 1.00 0.00 C ATOM 1190 C ALA A 91 -2.882 -15.077 3.350 1.00 0.00 C ATOM 1191 O ALA A 91 -3.762 -15.292 2.531 1.00 0.00 O ATOM 1192 CB ALA A 91 -1.027 -13.607 2.422 1.00 0.00 C ATOM 0 H ALA A 91 -1.094 -15.381 0.657 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.725 -15.476 3.534 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.109 -12.984 3.313 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.005 -13.569 2.046 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.709 -13.237 1.656 1.00 0.00 H new ATOM 1198 N PRO A 92 -3.195 -14.798 4.696 1.00 0.00 N ATOM 1199 CA PRO A 92 -4.625 -14.832 5.186 1.00 0.00 C ATOM 1200 C PRO A 92 -5.487 -13.633 4.721 1.00 0.00 C ATOM 1201 O PRO A 92 -6.566 -13.851 4.192 1.00 0.00 O ATOM 1202 CB PRO A 92 -4.501 -14.795 6.727 1.00 0.00 C ATOM 1203 CG PRO A 92 -3.128 -14.191 7.053 1.00 0.00 C ATOM 1204 CD PRO A 92 -2.244 -14.407 5.819 1.00 0.00 C ATOM 0 HA PRO A 92 -5.128 -15.713 4.787 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.300 -14.195 7.164 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.590 -15.798 7.145 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.218 -13.129 7.283 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.693 -14.671 7.929 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.693 -13.500 5.568 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.506 -15.189 5.998 1.00 0.00 H new ATOM 1212 N GLY A 93 -4.971 -12.413 4.916 1.00 0.00 N ATOM 1213 CA GLY A 93 -5.699 -11.149 4.519 1.00 0.00 C ATOM 1214 C GLY A 93 -5.742 -10.956 3.004 1.00 0.00 C ATOM 1215 O GLY A 93 -6.748 -10.513 2.475 1.00 0.00 O ATOM 0 H GLY A 93 -4.059 -12.249 5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.717 -11.181 4.908 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.209 -10.291 4.979 1.00 0.00 H new ATOM 1219 N GLY A 94 -4.614 -11.251 2.374 1.00 0.00 N ATOM 1220 CA GLY A 94 -4.461 -11.126 0.877 1.00 0.00 C ATOM 1221 C GLY A 94 -4.260 -9.662 0.434 1.00 0.00 C ATOM 1222 O GLY A 94 -4.226 -8.750 1.248 1.00 0.00 O ATOM 0 H GLY A 94 -3.774 -11.581 2.850 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.610 -11.724 0.549 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.345 -11.534 0.387 1.00 0.00 H new ATOM 1226 N CYS A 95 -4.118 -9.518 -0.868 1.00 0.00 N ATOM 1227 CA CYS A 95 -3.908 -8.186 -1.531 1.00 0.00 C ATOM 1228 C CYS A 95 -5.171 -7.305 -1.504 1.00 0.00 C ATOM 1229 O CYS A 95 -6.272 -7.830 -1.464 1.00 0.00 O ATOM 1230 CB CYS A 95 -3.587 -8.507 -2.993 1.00 0.00 C ATOM 1231 SG CYS A 95 -2.025 -9.341 -3.330 1.00 0.00 S ATOM 0 H CYS A 95 -4.140 -10.301 -1.521 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.123 -7.637 -1.011 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.393 -9.126 -3.387 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -3.599 -7.573 -3.554 1.00 0.00 H new ATOM 1236 N GLU A 96 -4.944 -5.982 -1.491 1.00 0.00 N ATOM 1237 CA GLU A 96 -6.036 -4.923 -1.468 1.00 0.00 C ATOM 1238 C GLU A 96 -5.360 -3.623 -1.988 1.00 0.00 C ATOM 1239 O GLU A 96 -4.282 -3.288 -1.525 1.00 0.00 O ATOM 1240 CB GLU A 96 -6.570 -4.781 0.028 1.00 0.00 C ATOM 1241 CG GLU A 96 -7.473 -3.546 0.332 1.00 0.00 C ATOM 1242 CD GLU A 96 -8.357 -3.908 1.529 1.00 0.00 C ATOM 1243 OE1 GLU A 96 -7.804 -3.973 2.614 1.00 0.00 O ATOM 1244 OE2 GLU A 96 -9.537 -4.093 1.291 1.00 0.00 O ATOM 0 H GLU A 96 -4.004 -5.587 -1.496 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.899 -5.165 -2.089 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -7.130 -5.682 0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.709 -4.746 0.695 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.863 -2.671 0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -8.085 -3.295 -0.535 1.00 0.00 H new ATOM 1251 N ILE A 97 -6.057 -2.929 -2.898 1.00 0.00 N ATOM 1252 CA ILE A 97 -5.567 -1.634 -3.531 1.00 0.00 C ATOM 1253 C ILE A 97 -5.840 -0.526 -2.497 1.00 0.00 C ATOM 1254 O ILE A 97 -6.899 -0.543 -1.892 1.00 0.00 O ATOM 1255 CB ILE A 97 -6.417 -1.397 -4.894 1.00 0.00 C ATOM 1256 CG1 ILE A 97 -6.152 -2.532 -6.029 1.00 0.00 C ATOM 1257 CG2 ILE A 97 -6.285 0.109 -5.486 1.00 0.00 C ATOM 1258 CD1 ILE A 97 -4.862 -2.410 -6.924 1.00 0.00 C ATOM 0 H ILE A 97 -6.974 -3.222 -3.234 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.508 -1.649 -3.788 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.458 -1.511 -4.592 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.119 -3.500 -5.529 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.016 -2.546 -6.693 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.878 0.195 -6.396 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.648 0.823 -4.747 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.240 0.321 -5.713 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.829 -3.240 -7.630 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.887 -1.468 -7.472 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.976 -2.437 -6.290 1.00 0.00 H new ATOM 1270 N VAL A 98 -4.832 0.366 -2.313 1.00 0.00 N ATOM 1271 CA VAL A 98 -4.877 1.547 -1.343 1.00 0.00 C ATOM 1272 C VAL A 98 -4.379 2.779 -2.151 1.00 0.00 C ATOM 1273 O VAL A 98 -3.399 2.683 -2.880 1.00 0.00 O ATOM 1274 CB VAL A 98 -3.926 1.330 -0.032 1.00 0.00 C ATOM 1275 CG1 VAL A 98 -4.251 2.374 1.159 1.00 0.00 C ATOM 1276 CG2 VAL A 98 -4.016 -0.157 0.512 1.00 0.00 C ATOM 0 H VAL A 98 -3.952 0.306 -2.824 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.890 1.670 -0.961 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.907 1.523 -0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.588 2.181 2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.097 3.392 0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.287 2.253 1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.371 -0.265 1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.045 -0.380 0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.694 -0.849 -0.266 1.00 0.00 H new ATOM 1286 N VAL A 99 -5.165 3.856 -2.022 1.00 0.00 N ATOM 1287 CA VAL A 99 -4.940 5.211 -2.680 1.00 0.00 C ATOM 1288 C VAL A 99 -4.781 6.115 -1.443 1.00 0.00 C ATOM 1289 O VAL A 99 -5.424 5.840 -0.440 1.00 0.00 O ATOM 1290 CB VAL A 99 -6.246 5.616 -3.564 1.00 0.00 C ATOM 1291 CG1 VAL A 99 -6.359 7.194 -3.882 1.00 0.00 C ATOM 1292 CG2 VAL A 99 -6.292 4.773 -4.918 1.00 0.00 C ATOM 0 H VAL A 99 -6.007 3.839 -1.447 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.097 5.265 -3.369 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.110 5.369 -2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.254 7.383 -4.474 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.419 7.750 -2.947 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.480 7.516 -4.440 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.172 5.058 -5.494 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.394 4.974 -5.503 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.341 3.710 -4.683 1.00 0.00 H new ATOM 1302 N GLY A 100 -3.938 7.140 -1.539 1.00 0.00 N ATOM 1303 CA GLY A 100 -3.724 8.077 -0.369 1.00 0.00 C ATOM 1304 C GLY A 100 -2.756 9.211 -0.725 1.00 0.00 C ATOM 1305 O GLY A 100 -1.739 8.961 -1.352 1.00 0.00 O ATOM 0 H GLY A 100 -3.394 7.364 -2.373 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.681 8.498 -0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -3.333 7.517 0.480 1.00 0.00 H new ATOM 1309 N GLY A 101 -3.106 10.416 -0.249 1.00 0.00 N ATOM 1310 CA GLY A 101 -2.291 11.674 -0.484 1.00 0.00 C ATOM 1311 C GLY A 101 -1.226 11.870 0.595 1.00 0.00 C ATOM 1312 O GLY A 101 -0.914 10.945 1.330 1.00 0.00 O ATOM 0 H GLY A 101 -3.947 10.572 0.306 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.812 11.620 -1.462 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -2.954 12.539 -0.502 1.00 0.00 H new ATOM 1316 N ASN A 102 -0.745 13.114 0.671 1.00 0.00 N ATOM 1317 CA ASN A 102 0.315 13.520 1.667 1.00 0.00 C ATOM 1318 C ASN A 102 -0.232 13.599 3.107 1.00 0.00 C ATOM 1319 O ASN A 102 0.530 13.414 4.042 1.00 0.00 O ATOM 1320 CB ASN A 102 0.896 14.897 1.249 1.00 0.00 C ATOM 1321 CG ASN A 102 -0.192 15.975 1.130 1.00 0.00 C ATOM 1322 OD1 ASN A 102 -0.910 16.056 0.153 1.00 0.00 O ATOM 1323 ND2 ASN A 102 -0.323 16.840 2.097 1.00 0.00 N ATOM 0 H ASN A 102 -1.056 13.874 0.066 1.00 0.00 H new ATOM 0 HA ASN A 102 1.093 12.756 1.662 1.00 0.00 H new ATOM 0 HB2 ASN A 102 1.639 15.213 1.981 1.00 0.00 H new ATOM 0 HB3 ASN A 102 1.412 14.797 0.294 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -1.024 17.578 2.030 1.00 0.00 H new ATOM 0 HD22 ASN A 102 0.276 16.779 2.920 1.00 0.00 H new ATOM 1330 N THR A 103 -1.550 13.828 3.234 1.00 0.00 N ATOM 1331 CA THR A 103 -2.241 13.931 4.586 1.00 0.00 C ATOM 1332 C THR A 103 -2.389 12.534 5.228 1.00 0.00 C ATOM 1333 O THR A 103 -2.483 12.441 6.445 1.00 0.00 O ATOM 1334 CB THR A 103 -3.678 14.501 4.371 1.00 0.00 C ATOM 1335 OG1 THR A 103 -4.233 13.695 3.349 1.00 0.00 O ATOM 1336 CG2 THR A 103 -3.761 15.942 3.768 1.00 0.00 C ATOM 0 H THR A 103 -2.178 13.948 2.439 1.00 0.00 H new ATOM 0 HA THR A 103 -1.645 14.574 5.233 1.00 0.00 H new ATOM 0 HB THR A 103 -4.158 14.515 5.350 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.146 13.994 3.157 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.806 16.233 3.663 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.254 16.643 4.430 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.281 15.955 2.789 1.00 0.00 H new ATOM 1344 N GLY A 104 -2.421 11.508 4.372 1.00 0.00 N ATOM 1345 CA GLY A 104 -2.559 10.064 4.799 1.00 0.00 C ATOM 1346 C GLY A 104 -4.026 9.625 4.885 1.00 0.00 C ATOM 1347 O GLY A 104 -4.301 8.631 5.538 1.00 0.00 O ATOM 0 H GLY A 104 -2.354 11.628 3.361 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -2.031 9.425 4.091 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.082 9.926 5.770 1.00 0.00 H new ATOM 1351 N GLU A 105 -4.909 10.377 4.213 1.00 0.00 N ATOM 1352 CA GLU A 105 -6.395 10.070 4.196 1.00 0.00 C ATOM 1353 C GLU A 105 -6.606 8.827 3.301 1.00 0.00 C ATOM 1354 O GLU A 105 -6.570 8.908 2.080 1.00 0.00 O ATOM 1355 CB GLU A 105 -7.159 11.310 3.597 1.00 0.00 C ATOM 1356 CG GLU A 105 -7.340 12.480 4.610 1.00 0.00 C ATOM 1357 CD GLU A 105 -8.719 12.384 5.278 1.00 0.00 C ATOM 1358 OE1 GLU A 105 -8.801 11.653 6.251 1.00 0.00 O ATOM 1359 OE2 GLU A 105 -9.610 13.052 4.779 1.00 0.00 O ATOM 0 H GLU A 105 -4.649 11.201 3.670 1.00 0.00 H new ATOM 0 HA GLU A 105 -6.773 9.873 5.199 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.615 11.675 2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.140 10.988 3.248 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -6.556 12.442 5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -7.241 13.436 4.096 1.00 0.00 H new ATOM 1366 N TYR A 106 -6.819 7.705 3.974 1.00 0.00 N ATOM 1367 CA TYR A 106 -7.042 6.366 3.293 1.00 0.00 C ATOM 1368 C TYR A 106 -8.409 6.263 2.571 1.00 0.00 C ATOM 1369 O TYR A 106 -9.288 7.087 2.760 1.00 0.00 O ATOM 1370 CB TYR A 106 -6.995 5.253 4.387 1.00 0.00 C ATOM 1371 CG TYR A 106 -5.853 5.540 5.460 1.00 0.00 C ATOM 1372 CD1 TYR A 106 -4.493 5.293 5.157 1.00 0.00 C ATOM 1373 CD2 TYR A 106 -6.136 6.015 6.769 1.00 0.00 C ATOM 1374 CE1 TYR A 106 -3.508 5.500 6.100 1.00 0.00 C ATOM 1375 CE2 TYR A 106 -5.120 6.210 7.684 1.00 0.00 C ATOM 1376 CZ TYR A 106 -3.810 5.957 7.359 1.00 0.00 C ATOM 1377 OH TYR A 106 -2.810 6.160 8.287 1.00 0.00 O ATOM 0 H TYR A 106 -6.848 7.659 4.993 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.263 6.253 2.539 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -7.961 5.193 4.889 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -6.819 4.286 3.917 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -4.223 4.937 4.174 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -7.157 6.226 7.052 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -2.479 5.299 5.843 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -5.360 6.568 8.674 1.00 0.00 H new ATOM 0 HH TYR A 106 -3.202 6.486 9.124 1.00 0.00 H new ATOM 1387 N GLY A 107 -8.519 5.224 1.753 1.00 0.00 N ATOM 1388 CA GLY A 107 -9.760 4.935 0.955 1.00 0.00 C ATOM 1389 C GLY A 107 -9.549 3.601 0.224 1.00 0.00 C ATOM 1390 O GLY A 107 -9.363 3.579 -0.980 1.00 0.00 O ATOM 0 H GLY A 107 -7.770 4.547 1.607 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.630 4.879 1.609 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.950 5.736 0.241 1.00 0.00 H new ATOM 1394 N ASN A 108 -9.612 2.530 1.011 1.00 0.00 N ATOM 1395 CA ASN A 108 -9.427 1.116 0.505 1.00 0.00 C ATOM 1396 C ASN A 108 -10.551 0.602 -0.423 1.00 0.00 C ATOM 1397 O ASN A 108 -11.608 1.214 -0.525 1.00 0.00 O ATOM 1398 CB ASN A 108 -9.344 0.211 1.753 1.00 0.00 C ATOM 1399 CG ASN A 108 -10.743 -0.140 2.266 1.00 0.00 C ATOM 1400 OD1 ASN A 108 -11.177 -1.274 2.195 1.00 0.00 O ATOM 1401 ND2 ASN A 108 -11.480 0.800 2.789 1.00 0.00 N ATOM 0 H ASN A 108 -9.790 2.585 2.014 1.00 0.00 H new ATOM 0 HA ASN A 108 -8.526 1.098 -0.109 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -8.802 -0.703 1.509 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -8.781 0.717 2.537 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -12.414 0.582 3.135 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -11.122 1.753 2.852 1.00 0.00 H new ATOM 1408 N ALA A 109 -10.230 -0.503 -1.122 1.00 0.00 N ATOM 1409 CA ALA A 109 -11.186 -1.185 -2.094 1.00 0.00 C ATOM 1410 C ALA A 109 -10.671 -2.619 -2.415 1.00 0.00 C ATOM 1411 O ALA A 109 -9.716 -2.782 -3.165 1.00 0.00 O ATOM 1412 CB ALA A 109 -11.276 -0.356 -3.416 1.00 0.00 C ATOM 0 H ALA A 109 -9.322 -0.963 -1.051 1.00 0.00 H new ATOM 0 HA ALA A 109 -12.175 -1.247 -1.639 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.960 -0.847 -4.108 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -11.643 0.646 -3.193 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -10.288 -0.288 -3.871 1.00 0.00 H new ATOM 1418 N ALA A 110 -11.302 -3.616 -1.777 1.00 0.00 N ATOM 1419 CA ALA A 110 -10.936 -5.075 -1.966 1.00 0.00 C ATOM 1420 C ALA A 110 -11.324 -5.608 -3.357 1.00 0.00 C ATOM 1421 O ALA A 110 -12.217 -5.056 -3.986 1.00 0.00 O ATOM 1422 CB ALA A 110 -11.726 -5.893 -0.927 1.00 0.00 C ATOM 0 H ALA A 110 -12.069 -3.465 -1.122 1.00 0.00 H new ATOM 0 HA ALA A 110 -9.856 -5.166 -1.854 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.485 -6.950 -1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -11.459 -5.562 0.076 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -12.795 -5.747 -1.085 1.00 0.00 H new ATOM 1428 N ILE A 111 -10.579 -6.650 -3.779 1.00 0.00 N ATOM 1429 CA ILE A 111 -10.738 -7.386 -5.118 1.00 0.00 C ATOM 1430 C ILE A 111 -11.000 -8.897 -4.784 1.00 0.00 C ATOM 1431 O ILE A 111 -10.934 -9.226 -3.610 1.00 0.00 O ATOM 1432 CB ILE A 111 -9.393 -7.158 -6.011 1.00 0.00 C ATOM 1433 CG1 ILE A 111 -8.007 -7.345 -5.156 1.00 0.00 C ATOM 1434 CG2 ILE A 111 -9.457 -5.695 -6.699 1.00 0.00 C ATOM 1435 CD1 ILE A 111 -6.790 -7.898 -5.976 1.00 0.00 C ATOM 0 H ILE A 111 -9.825 -7.036 -3.210 1.00 0.00 H new ATOM 0 HA ILE A 111 -11.574 -7.009 -5.707 1.00 0.00 H new ATOM 0 HB ILE A 111 -9.370 -7.932 -6.778 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -7.729 -6.382 -4.728 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -8.201 -8.020 -4.322 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.561 -5.535 -7.298 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -10.337 -5.632 -7.339 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.517 -4.931 -5.924 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -5.921 -7.986 -5.323 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -7.040 -8.878 -6.382 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -6.561 -7.214 -6.794 1.00 0.00 H new ATOM 1447 N SER A 112 -11.329 -9.744 -5.792 1.00 0.00 N ATOM 1448 CA SER A 112 -11.599 -11.226 -5.551 1.00 0.00 C ATOM 1449 C SER A 112 -11.407 -12.048 -6.839 1.00 0.00 C ATOM 1450 O SER A 112 -11.964 -11.704 -7.857 1.00 0.00 O ATOM 1451 CB SER A 112 -13.063 -11.390 -5.111 1.00 0.00 C ATOM 1452 OG SER A 112 -13.020 -11.296 -3.695 1.00 0.00 O ATOM 0 H SER A 112 -11.418 -9.456 -6.767 1.00 0.00 H new ATOM 0 HA SER A 112 -10.902 -11.581 -4.792 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.696 -10.614 -5.541 1.00 0.00 H new ATOM 0 HB3 SER A 112 -13.470 -12.349 -5.433 1.00 0.00 H new ATOM 0 HG SER A 112 -12.342 -10.640 -3.431 1.00 0.00 H new ATOM 1458 N PHE A 113 -10.658 -13.149 -6.723 1.00 0.00 N ATOM 1459 CA PHE A 113 -10.372 -14.067 -7.898 1.00 0.00 C ATOM 1460 C PHE A 113 -11.594 -14.928 -8.227 1.00 0.00 C ATOM 1461 O PHE A 113 -12.477 -15.080 -7.397 1.00 0.00 O ATOM 1462 CB PHE A 113 -9.229 -15.041 -7.511 1.00 0.00 C ATOM 1463 CG PHE A 113 -8.139 -14.307 -6.616 1.00 0.00 C ATOM 1464 CD1 PHE A 113 -7.239 -13.376 -7.189 1.00 0.00 C ATOM 1465 CD2 PHE A 113 -8.029 -14.525 -5.213 1.00 0.00 C ATOM 1466 CE1 PHE A 113 -6.308 -12.724 -6.410 1.00 0.00 C ATOM 1467 CE2 PHE A 113 -7.084 -13.853 -4.471 1.00 0.00 C ATOM 1468 CZ PHE A 113 -6.233 -12.961 -5.065 1.00 0.00 C ATOM 0 H PHE A 113 -10.229 -13.449 -5.848 1.00 0.00 H new ATOM 0 HA PHE A 113 -10.108 -13.446 -8.754 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -9.639 -15.892 -6.967 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.760 -15.435 -8.413 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.283 -13.175 -8.249 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.693 -15.224 -4.727 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.630 -12.018 -6.866 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -7.013 -14.032 -3.408 1.00 0.00 H new ATOM 0 HZ PHE A 113 -5.498 -12.441 -4.468 1.00 0.00 H new ATOM 1478 N GLY A 114 -11.592 -15.472 -9.437 1.00 0.00 N ATOM 1479 CA GLY A 114 -12.720 -16.347 -9.917 1.00 0.00 C ATOM 1480 C GLY A 114 -12.432 -16.830 -11.339 1.00 0.00 C ATOM 1481 O GLY A 114 -12.974 -17.869 -11.678 1.00 0.00 O ATOM 1482 OXT GLY A 114 -11.685 -16.134 -12.007 1.00 0.00 O ATOM 0 H GLY A 114 -10.843 -15.341 -10.117 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -12.839 -17.201 -9.250 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -13.658 -15.792 -9.895 1.00 0.00 H new TER 1486 GLY A 114