USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 686 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 6 SER OG : rot 42:sc= 0.535 USER MOD Single : A 8 SER OG : rot 34:sc= 0.458 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc=0.000403 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -82:sc= 0.548 USER MOD Single : A 24 SER OG : rot 33:sc= 0.507 USER MOD Single : A 28 THR OG1 : rot -95:sc= 0.113 USER MOD Single : A 29 SER OG : rot 44:sc= 0.371 USER MOD Single : A 30 THR OG1 : rot -17:sc= 0.0969 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0218 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0902 X(o=-0.09,f=0.0011) USER MOD Single : A 48 ASN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) 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= 0.0152 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 46:sc= 0.343 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 90 THR OG1 : rot 180:sc= 0.0611 USER MOD Single : A 102 ASN : amide:sc= 0.0447 K(o=0.045,f=-1.5!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.0532 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0.0118 K(o=0.012,f=-0.89) USER MOD Single : A 112 SER OG : rot 49:sc= 0.108 USER MOD ----------------------------------------------------------------- ATOM 24 N ALA A 3 -16.360 10.719 -0.887 1.00 0.00 N ATOM 25 CA ALA A 3 -15.438 10.588 -2.074 1.00 0.00 C ATOM 26 C ALA A 3 -15.662 9.260 -2.828 1.00 0.00 C ATOM 27 O ALA A 3 -15.483 8.197 -2.247 1.00 0.00 O ATOM 28 CB ALA A 3 -13.994 10.613 -1.541 1.00 0.00 C ATOM 0 HA ALA A 3 -15.634 11.405 -2.769 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -13.297 10.520 -2.374 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -13.814 11.554 -1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -13.847 9.783 -0.850 1.00 0.00 H new ATOM 34 N ALA A 4 -16.018 9.376 -4.111 1.00 0.00 N ATOM 35 CA ALA A 4 -16.277 8.178 -4.989 1.00 0.00 C ATOM 36 C ALA A 4 -14.974 7.556 -5.505 1.00 0.00 C ATOM 37 O ALA A 4 -14.123 8.286 -5.991 1.00 0.00 O ATOM 38 CB ALA A 4 -17.061 8.665 -6.217 1.00 0.00 C ATOM 0 H ALA A 4 -16.139 10.272 -4.584 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.817 7.433 -4.405 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -17.266 7.821 -6.876 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -18.002 9.111 -5.895 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.472 9.409 -6.753 1.00 0.00 H new ATOM 44 N VAL A 5 -14.864 6.224 -5.328 1.00 0.00 N ATOM 45 CA VAL A 5 -13.676 5.376 -5.754 1.00 0.00 C ATOM 46 C VAL A 5 -14.361 4.197 -6.469 1.00 0.00 C ATOM 47 O VAL A 5 -15.429 3.778 -6.042 1.00 0.00 O ATOM 48 CB VAL A 5 -12.800 4.813 -4.503 1.00 0.00 C ATOM 49 CG1 VAL A 5 -11.335 4.319 -4.951 1.00 0.00 C ATOM 50 CG2 VAL A 5 -12.694 5.877 -3.329 1.00 0.00 C ATOM 0 H VAL A 5 -15.598 5.675 -4.880 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.968 5.946 -6.355 1.00 0.00 H new ATOM 0 HB VAL A 5 -13.338 3.943 -4.126 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.792 3.953 -4.080 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -11.430 3.517 -5.683 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.790 5.152 -5.395 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.101 5.462 -2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.215 6.783 -3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.693 6.118 -2.965 1.00 0.00 H new ATOM 60 N SER A 6 -13.765 3.771 -7.576 1.00 0.00 N ATOM 61 CA SER A 6 -14.301 2.621 -8.402 1.00 0.00 C ATOM 62 C SER A 6 -13.213 2.081 -9.336 1.00 0.00 C ATOM 63 O SER A 6 -12.411 2.856 -9.829 1.00 0.00 O ATOM 64 CB SER A 6 -15.467 3.114 -9.294 1.00 0.00 C ATOM 65 OG SER A 6 -16.638 2.858 -8.533 1.00 0.00 O ATOM 0 H SER A 6 -12.910 4.184 -7.948 1.00 0.00 H new ATOM 0 HA SER A 6 -14.635 1.843 -7.716 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.368 4.175 -9.524 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.489 2.583 -10.245 1.00 0.00 H new ATOM 0 HG SER A 6 -16.479 3.099 -7.597 1.00 0.00 H new ATOM 71 N VAL A 7 -13.222 0.746 -9.495 1.00 0.00 N ATOM 72 CA VAL A 7 -12.258 -0.044 -10.366 1.00 0.00 C ATOM 73 C VAL A 7 -13.222 -0.854 -11.264 1.00 0.00 C ATOM 74 O VAL A 7 -14.271 -1.254 -10.776 1.00 0.00 O ATOM 75 CB VAL A 7 -11.328 -1.025 -9.463 1.00 0.00 C ATOM 76 CG1 VAL A 7 -10.079 -1.616 -10.283 1.00 0.00 C ATOM 77 CG2 VAL A 7 -10.834 -0.309 -8.123 1.00 0.00 C ATOM 0 H VAL A 7 -13.903 0.150 -9.024 1.00 0.00 H new ATOM 0 HA VAL A 7 -11.558 0.577 -10.925 1.00 0.00 H new ATOM 0 HB VAL A 7 -11.961 -1.867 -9.183 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.491 -2.264 -9.633 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.442 -2.190 -11.136 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -9.455 -0.795 -10.637 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -10.216 -0.999 -7.549 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -10.250 0.576 -8.377 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -11.698 -0.015 -7.528 1.00 0.00 H new ATOM 87 N SER A 8 -12.861 -1.000 -12.553 1.00 0.00 N ATOM 88 CA SER A 8 -13.703 -1.768 -13.568 1.00 0.00 C ATOM 89 C SER A 8 -12.791 -2.237 -14.799 1.00 0.00 C ATOM 90 O SER A 8 -12.297 -1.323 -15.454 1.00 0.00 O ATOM 91 CB SER A 8 -14.755 -0.762 -14.120 1.00 0.00 C ATOM 92 OG SER A 8 -15.841 -0.851 -13.210 1.00 0.00 O ATOM 0 H SER A 8 -12.003 -0.609 -12.942 1.00 0.00 H new ATOM 0 HA SER A 8 -14.157 -2.642 -13.101 1.00 0.00 H new ATOM 0 HB2 SER A 8 -14.353 0.250 -14.161 1.00 0.00 H new ATOM 0 HB3 SER A 8 -15.062 -1.024 -15.132 1.00 0.00 H new ATOM 0 HG SER A 8 -15.499 -1.026 -12.308 1.00 0.00 H new ATOM 98 N PRO A 9 -12.463 -3.585 -15.114 1.00 0.00 N ATOM 99 CA PRO A 9 -12.791 -4.868 -14.359 1.00 0.00 C ATOM 100 C PRO A 9 -12.111 -4.913 -12.981 1.00 0.00 C ATOM 101 O PRO A 9 -11.062 -4.308 -12.823 1.00 0.00 O ATOM 102 CB PRO A 9 -12.224 -6.012 -15.217 1.00 0.00 C ATOM 103 CG PRO A 9 -11.608 -5.407 -16.486 1.00 0.00 C ATOM 104 CD PRO A 9 -11.723 -3.885 -16.394 1.00 0.00 C ATOM 0 HA PRO A 9 -13.866 -4.940 -14.195 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.471 -6.568 -14.658 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.013 -6.717 -15.478 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.564 -5.704 -16.581 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.125 -5.774 -17.372 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.736 -3.422 -16.389 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.259 -3.484 -17.254 1.00 0.00 H new ATOM 112 N ALA A 10 -12.771 -5.613 -12.038 1.00 0.00 N ATOM 113 CA ALA A 10 -12.283 -5.786 -10.602 1.00 0.00 C ATOM 114 C ALA A 10 -12.437 -7.222 -10.094 1.00 0.00 C ATOM 115 O ALA A 10 -11.866 -7.523 -9.058 1.00 0.00 O ATOM 116 CB ALA A 10 -13.183 -4.930 -9.694 1.00 0.00 C ATOM 0 H ALA A 10 -13.657 -6.084 -12.221 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.230 -5.505 -10.582 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.858 -5.033 -8.659 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.113 -3.884 -9.994 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -14.216 -5.265 -9.785 1.00 0.00 H new ATOM 122 N THR A 11 -13.213 -8.038 -10.830 1.00 0.00 N ATOM 123 CA THR A 11 -13.482 -9.494 -10.476 1.00 0.00 C ATOM 124 C THR A 11 -13.169 -10.398 -11.677 1.00 0.00 C ATOM 125 O THR A 11 -13.214 -9.948 -12.812 1.00 0.00 O ATOM 126 CB THR A 11 -14.997 -9.686 -10.134 1.00 0.00 C ATOM 127 OG1 THR A 11 -15.686 -9.404 -11.336 1.00 0.00 O ATOM 128 CG2 THR A 11 -15.595 -8.652 -9.132 1.00 0.00 C ATOM 0 H THR A 11 -13.680 -7.736 -11.685 1.00 0.00 H new ATOM 0 HA THR A 11 -12.854 -9.756 -9.625 1.00 0.00 H new ATOM 0 HB THR A 11 -15.095 -10.682 -9.703 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.650 -9.508 -11.193 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.649 -8.875 -8.964 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.057 -8.709 -8.186 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.498 -7.648 -9.544 1.00 0.00 H new ATOM 136 N GLY A 12 -12.838 -11.655 -11.364 1.00 0.00 N ATOM 137 CA GLY A 12 -12.496 -12.702 -12.404 1.00 0.00 C ATOM 138 C GLY A 12 -11.165 -12.408 -13.113 1.00 0.00 C ATOM 139 O GLY A 12 -11.011 -12.762 -14.272 1.00 0.00 O ATOM 0 H GLY A 12 -12.792 -11.999 -10.405 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -12.442 -13.681 -11.927 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.296 -12.751 -13.143 1.00 0.00 H new ATOM 143 N LEU A 13 -10.244 -11.817 -12.362 1.00 0.00 N ATOM 144 CA LEU A 13 -8.875 -11.447 -12.888 1.00 0.00 C ATOM 145 C LEU A 13 -7.988 -12.701 -13.024 1.00 0.00 C ATOM 146 O LEU A 13 -8.219 -13.681 -12.331 1.00 0.00 O ATOM 147 CB LEU A 13 -8.180 -10.465 -11.855 1.00 0.00 C ATOM 148 CG LEU A 13 -9.001 -9.111 -11.403 1.00 0.00 C ATOM 149 CD1 LEU A 13 -8.073 -8.177 -10.487 1.00 0.00 C ATOM 150 CD2 LEU A 13 -9.603 -8.268 -12.621 1.00 0.00 C ATOM 0 H LEU A 13 -10.391 -11.571 -11.383 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.991 -10.977 -13.865 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.953 -11.034 -10.954 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.227 -10.151 -12.282 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.860 -9.463 -10.832 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.629 -7.286 -10.196 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.773 -8.726 -9.594 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.185 -7.884 -11.048 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.127 -7.394 -12.235 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.793 -7.945 -13.276 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.299 -8.889 -13.184 1.00 0.00 H new ATOM 162 N ALA A 14 -7.020 -12.594 -13.955 1.00 0.00 N ATOM 163 CA ALA A 14 -6.004 -13.668 -14.304 1.00 0.00 C ATOM 164 C ALA A 14 -4.601 -13.029 -14.309 1.00 0.00 C ATOM 165 O ALA A 14 -4.476 -11.883 -13.915 1.00 0.00 O ATOM 166 CB ALA A 14 -6.357 -14.179 -15.723 1.00 0.00 C ATOM 0 H ALA A 14 -6.900 -11.748 -14.512 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.018 -14.490 -13.588 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.650 -14.955 -16.016 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.367 -14.590 -15.721 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.303 -13.352 -16.431 1.00 0.00 H new ATOM 172 N ASP A 15 -3.596 -13.804 -14.719 1.00 0.00 N ATOM 173 CA ASP A 15 -2.162 -13.320 -14.780 1.00 0.00 C ATOM 174 C ASP A 15 -1.948 -12.205 -15.833 1.00 0.00 C ATOM 175 O ASP A 15 -2.343 -12.371 -16.978 1.00 0.00 O ATOM 176 CB ASP A 15 -1.298 -14.536 -15.179 1.00 0.00 C ATOM 177 CG ASP A 15 0.098 -14.091 -15.640 1.00 0.00 C ATOM 178 OD1 ASP A 15 0.822 -13.597 -14.788 1.00 0.00 O ATOM 179 OD2 ASP A 15 0.368 -14.286 -16.815 1.00 0.00 O ATOM 0 H ASP A 15 -3.719 -14.771 -15.019 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.893 -12.902 -13.810 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.206 -15.215 -14.331 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.790 -15.090 -15.979 1.00 0.00 H new ATOM 184 N GLY A 16 -1.342 -11.096 -15.387 1.00 0.00 N ATOM 185 CA GLY A 16 -1.049 -9.906 -16.277 1.00 0.00 C ATOM 186 C GLY A 16 -2.318 -9.155 -16.718 1.00 0.00 C ATOM 187 O GLY A 16 -2.309 -8.549 -17.779 1.00 0.00 O ATOM 0 H GLY A 16 -1.036 -10.974 -14.422 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.392 -9.217 -15.747 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.509 -10.245 -17.161 1.00 0.00 H new ATOM 191 N ALA A 17 -3.345 -9.198 -15.871 1.00 0.00 N ATOM 192 CA ALA A 17 -4.656 -8.510 -16.166 1.00 0.00 C ATOM 193 C ALA A 17 -4.558 -6.982 -16.046 1.00 0.00 C ATOM 194 O ALA A 17 -4.173 -6.482 -15.000 1.00 0.00 O ATOM 195 CB ALA A 17 -5.685 -8.982 -15.132 1.00 0.00 C ATOM 0 H ALA A 17 -3.322 -9.689 -14.978 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.938 -8.760 -17.189 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.642 -8.498 -15.324 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.804 -10.063 -15.204 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.341 -8.721 -14.131 1.00 0.00 H new ATOM 201 N THR A 18 -4.947 -6.299 -17.123 1.00 0.00 N ATOM 202 CA THR A 18 -4.924 -4.801 -17.193 1.00 0.00 C ATOM 203 C THR A 18 -6.193 -4.310 -16.481 1.00 0.00 C ATOM 204 O THR A 18 -7.240 -4.924 -16.650 1.00 0.00 O ATOM 205 CB THR A 18 -4.951 -4.428 -18.718 1.00 0.00 C ATOM 206 OG1 THR A 18 -4.008 -5.307 -19.298 1.00 0.00 O ATOM 207 CG2 THR A 18 -4.382 -3.018 -19.087 1.00 0.00 C ATOM 0 H THR A 18 -5.287 -6.745 -17.975 1.00 0.00 H new ATOM 0 HA THR A 18 -4.049 -4.351 -16.723 1.00 0.00 H new ATOM 0 HB THR A 18 -5.991 -4.470 -19.041 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.959 -5.144 -20.263 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.451 -2.868 -20.165 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.959 -2.248 -18.576 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.339 -2.954 -18.778 1.00 0.00 H new ATOM 215 N VAL A 19 -6.025 -3.280 -15.638 1.00 0.00 N ATOM 216 CA VAL A 19 -7.154 -2.643 -14.833 1.00 0.00 C ATOM 217 C VAL A 19 -7.002 -1.109 -14.890 1.00 0.00 C ATOM 218 O VAL A 19 -5.883 -0.618 -14.837 1.00 0.00 O ATOM 219 CB VAL A 19 -7.189 -3.188 -13.299 1.00 0.00 C ATOM 220 CG1 VAL A 19 -7.505 -4.753 -13.229 1.00 0.00 C ATOM 221 CG2 VAL A 19 -5.867 -2.836 -12.452 1.00 0.00 C ATOM 0 H VAL A 19 -5.117 -2.844 -15.474 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.109 -2.926 -15.275 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.009 -2.647 -12.827 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.519 -5.075 -12.188 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.477 -4.949 -13.682 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.735 -5.304 -13.769 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.966 -3.232 -11.441 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.997 -3.283 -12.933 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.741 -1.754 -12.407 1.00 0.00 H new ATOM 231 N THR A 20 -8.166 -0.433 -14.996 1.00 0.00 N ATOM 232 CA THR A 20 -8.294 1.074 -15.076 1.00 0.00 C ATOM 233 C THR A 20 -8.899 1.615 -13.759 1.00 0.00 C ATOM 234 O THR A 20 -10.104 1.536 -13.567 1.00 0.00 O ATOM 235 CB THR A 20 -9.255 1.314 -16.300 1.00 0.00 C ATOM 236 OG1 THR A 20 -8.446 1.020 -17.422 1.00 0.00 O ATOM 237 CG2 THR A 20 -9.708 2.788 -16.589 1.00 0.00 C ATOM 0 H THR A 20 -9.068 -0.908 -15.031 1.00 0.00 H new ATOM 0 HA THR A 20 -7.341 1.586 -15.208 1.00 0.00 H new ATOM 0 HB THR A 20 -10.154 0.731 -16.099 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.968 1.142 -18.243 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.366 2.803 -17.458 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.242 3.181 -15.724 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.832 3.406 -16.786 1.00 0.00 H new ATOM 245 N VAL A 21 -8.028 2.179 -12.915 1.00 0.00 N ATOM 246 CA VAL A 21 -8.442 2.764 -11.579 1.00 0.00 C ATOM 247 C VAL A 21 -9.024 4.149 -11.912 1.00 0.00 C ATOM 248 O VAL A 21 -8.584 4.755 -12.876 1.00 0.00 O ATOM 249 CB VAL A 21 -7.120 2.849 -10.635 1.00 0.00 C ATOM 250 CG1 VAL A 21 -7.267 3.824 -9.357 1.00 0.00 C ATOM 251 CG2 VAL A 21 -6.684 1.386 -10.166 1.00 0.00 C ATOM 0 H VAL A 21 -7.029 2.256 -13.108 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.181 2.172 -11.039 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.344 3.297 -11.256 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.338 3.818 -8.786 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.478 4.838 -9.696 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.084 3.475 -8.725 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.798 1.455 -9.535 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.496 0.927 -9.602 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.459 0.775 -11.041 1.00 0.00 H new ATOM 261 N SER A 22 -10.010 4.559 -11.102 1.00 0.00 N ATOM 262 CA SER A 22 -10.726 5.883 -11.239 1.00 0.00 C ATOM 263 C SER A 22 -10.854 6.536 -9.869 1.00 0.00 C ATOM 264 O SER A 22 -10.654 5.878 -8.858 1.00 0.00 O ATOM 265 CB SER A 22 -12.144 5.623 -11.791 1.00 0.00 C ATOM 266 OG SER A 22 -12.986 5.616 -10.647 1.00 0.00 O ATOM 0 H SER A 22 -10.352 3.996 -10.323 1.00 0.00 H new ATOM 0 HA SER A 22 -10.166 6.535 -11.909 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.442 6.399 -12.496 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.193 4.673 -12.323 1.00 0.00 H new ATOM 0 HG SER A 22 -12.949 4.735 -10.219 1.00 0.00 H new ATOM 272 N ALA A 23 -11.115 7.835 -9.903 1.00 0.00 N ATOM 273 CA ALA A 23 -11.283 8.673 -8.667 1.00 0.00 C ATOM 274 C ALA A 23 -12.041 9.938 -9.053 1.00 0.00 C ATOM 275 O ALA A 23 -11.860 10.416 -10.162 1.00 0.00 O ATOM 276 CB ALA A 23 -9.893 9.064 -8.129 1.00 0.00 C ATOM 0 H ALA A 23 -11.221 8.360 -10.771 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.827 8.119 -7.902 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.008 9.672 -7.232 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.330 8.163 -7.887 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.356 9.634 -8.888 1.00 0.00 H new ATOM 282 N SER A 24 -12.898 10.407 -8.139 1.00 0.00 N ATOM 283 CA SER A 24 -13.727 11.649 -8.362 1.00 0.00 C ATOM 284 C SER A 24 -14.184 12.202 -7.010 1.00 0.00 C ATOM 285 O SER A 24 -14.397 11.428 -6.088 1.00 0.00 O ATOM 286 CB SER A 24 -14.978 11.275 -9.191 1.00 0.00 C ATOM 287 OG SER A 24 -14.578 11.467 -10.539 1.00 0.00 O ATOM 0 H SER A 24 -13.052 9.964 -7.233 1.00 0.00 H new ATOM 0 HA SER A 24 -13.133 12.396 -8.888 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.281 10.244 -9.009 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.828 11.907 -8.935 1.00 0.00 H new ATOM 0 HG SER A 24 -13.624 11.260 -10.630 1.00 0.00 H new ATOM 293 N GLY A 25 -14.303 13.529 -6.941 1.00 0.00 N ATOM 294 CA GLY A 25 -14.740 14.240 -5.684 1.00 0.00 C ATOM 295 C GLY A 25 -13.632 14.205 -4.624 1.00 0.00 C ATOM 296 O GLY A 25 -13.608 13.300 -3.810 1.00 0.00 O ATOM 0 H GLY A 25 -14.109 14.153 -7.724 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.995 15.274 -5.916 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.641 13.770 -5.290 1.00 0.00 H new ATOM 300 N PHE A 26 -12.755 15.201 -4.704 1.00 0.00 N ATOM 301 CA PHE A 26 -11.585 15.365 -3.764 1.00 0.00 C ATOM 302 C PHE A 26 -11.195 16.849 -3.770 1.00 0.00 C ATOM 303 O PHE A 26 -11.472 17.536 -4.740 1.00 0.00 O ATOM 304 CB PHE A 26 -10.384 14.520 -4.311 1.00 0.00 C ATOM 305 CG PHE A 26 -10.354 13.025 -3.739 1.00 0.00 C ATOM 306 CD1 PHE A 26 -9.837 12.743 -2.447 1.00 0.00 C ATOM 307 CD2 PHE A 26 -10.754 11.904 -4.521 1.00 0.00 C ATOM 308 CE1 PHE A 26 -9.720 11.445 -1.996 1.00 0.00 C ATOM 309 CE2 PHE A 26 -10.621 10.620 -4.032 1.00 0.00 C ATOM 310 CZ PHE A 26 -10.109 10.394 -2.781 1.00 0.00 C ATOM 0 H PHE A 26 -12.811 15.932 -5.413 1.00 0.00 H new ATOM 0 HA PHE A 26 -11.839 15.035 -2.757 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -10.438 14.485 -5.399 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.450 15.019 -4.054 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.531 13.558 -1.808 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -11.166 12.060 -5.507 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -9.317 11.256 -1.012 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.924 9.783 -4.643 1.00 0.00 H new ATOM 0 HZ PHE A 26 -10.012 9.383 -2.414 1.00 0.00 H new ATOM 320 N ALA A 27 -10.618 17.302 -2.652 1.00 0.00 N ATOM 321 CA ALA A 27 -10.169 18.741 -2.479 1.00 0.00 C ATOM 322 C ALA A 27 -9.140 18.870 -1.335 1.00 0.00 C ATOM 323 O ALA A 27 -8.351 19.809 -1.344 1.00 0.00 O ATOM 324 CB ALA A 27 -11.414 19.602 -2.140 1.00 0.00 C ATOM 0 H ALA A 27 -10.439 16.715 -1.838 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.697 19.079 -3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.113 20.642 -2.011 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.137 19.531 -2.952 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.867 19.239 -1.218 1.00 0.00 H new ATOM 330 N THR A 28 -9.100 17.860 -0.463 1.00 0.00 N ATOM 331 CA THR A 28 -8.146 17.844 0.714 1.00 0.00 C ATOM 332 C THR A 28 -6.737 17.421 0.253 1.00 0.00 C ATOM 333 O THR A 28 -5.802 18.179 0.463 1.00 0.00 O ATOM 334 CB THR A 28 -8.656 16.798 1.766 1.00 0.00 C ATOM 335 OG1 THR A 28 -9.213 15.725 1.026 1.00 0.00 O ATOM 336 CG2 THR A 28 -9.851 17.281 2.645 1.00 0.00 C ATOM 0 H THR A 28 -9.700 17.037 -0.524 1.00 0.00 H new ATOM 0 HA THR A 28 -8.102 18.843 1.149 1.00 0.00 H new ATOM 0 HB THR A 28 -7.805 16.574 2.409 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.181 15.854 0.941 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.133 16.491 3.341 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.556 18.169 3.204 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.700 17.521 2.005 1.00 0.00 H new ATOM 344 N SER A 29 -6.635 16.245 -0.374 1.00 0.00 N ATOM 345 CA SER A 29 -5.308 15.710 -0.882 1.00 0.00 C ATOM 346 C SER A 29 -4.842 16.505 -2.131 1.00 0.00 C ATOM 347 O SER A 29 -5.551 16.534 -3.125 1.00 0.00 O ATOM 348 CB SER A 29 -5.513 14.231 -1.270 1.00 0.00 C ATOM 349 OG SER A 29 -6.745 14.182 -1.976 1.00 0.00 O ATOM 0 H SER A 29 -7.429 15.630 -0.554 1.00 0.00 H new ATOM 0 HA SER A 29 -4.549 15.811 -0.107 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.692 13.873 -1.891 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.544 13.595 -0.385 1.00 0.00 H new ATOM 0 HG SER A 29 -6.787 14.925 -2.613 1.00 0.00 H new ATOM 355 N THR A 30 -3.651 17.111 -2.034 1.00 0.00 N ATOM 356 CA THR A 30 -3.038 17.937 -3.162 1.00 0.00 C ATOM 357 C THR A 30 -2.367 17.073 -4.262 1.00 0.00 C ATOM 358 O THR A 30 -2.124 17.547 -5.360 1.00 0.00 O ATOM 359 CB THR A 30 -2.010 18.937 -2.504 1.00 0.00 C ATOM 360 OG1 THR A 30 -1.555 19.757 -3.563 1.00 0.00 O ATOM 361 CG2 THR A 30 -0.682 18.335 -1.919 1.00 0.00 C ATOM 0 H THR A 30 -3.068 17.064 -1.198 1.00 0.00 H new ATOM 0 HA THR A 30 -3.831 18.476 -3.681 1.00 0.00 H new ATOM 0 HB THR A 30 -2.549 19.394 -1.674 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.764 19.330 -4.420 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.073 19.136 -1.500 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.923 17.615 -1.137 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.128 17.836 -2.714 1.00 0.00 H new ATOM 369 N SER A 31 -2.109 15.827 -3.908 1.00 0.00 N ATOM 370 CA SER A 31 -1.454 14.804 -4.816 1.00 0.00 C ATOM 371 C SER A 31 -1.620 13.435 -4.157 1.00 0.00 C ATOM 372 O SER A 31 -1.785 13.395 -2.953 1.00 0.00 O ATOM 373 CB SER A 31 0.069 15.111 -4.935 1.00 0.00 C ATOM 374 OG SER A 31 0.443 15.555 -3.638 1.00 0.00 O ATOM 0 H SER A 31 -2.336 15.459 -2.984 1.00 0.00 H new ATOM 0 HA SER A 31 -1.908 14.829 -5.807 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.631 14.225 -5.229 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.263 15.875 -5.688 1.00 0.00 H new ATOM 0 HG SER A 31 1.399 15.769 -3.629 1.00 0.00 H new ATOM 380 N ALA A 32 -1.625 12.359 -4.964 1.00 0.00 N ATOM 381 CA ALA A 32 -1.784 10.951 -4.413 1.00 0.00 C ATOM 382 C ALA A 32 -1.344 9.878 -5.420 1.00 0.00 C ATOM 383 O ALA A 32 -1.727 9.945 -6.578 1.00 0.00 O ATOM 384 CB ALA A 32 -3.266 10.690 -4.087 1.00 0.00 C ATOM 0 H ALA A 32 -1.525 12.407 -5.978 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.155 10.887 -3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.379 9.680 -3.692 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.608 11.411 -3.344 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.862 10.794 -4.994 1.00 0.00 H new ATOM 390 N THR A 33 -0.580 8.904 -4.891 1.00 0.00 N ATOM 391 CA THR A 33 -0.017 7.732 -5.662 1.00 0.00 C ATOM 392 C THR A 33 -0.938 6.522 -5.449 1.00 0.00 C ATOM 393 O THR A 33 -1.599 6.455 -4.423 1.00 0.00 O ATOM 394 CB THR A 33 1.380 7.435 -5.013 1.00 0.00 C ATOM 395 OG1 THR A 33 1.969 8.711 -4.862 1.00 0.00 O ATOM 396 CG2 THR A 33 2.420 6.669 -5.900 1.00 0.00 C ATOM 0 H THR A 33 -0.321 8.890 -3.904 1.00 0.00 H new ATOM 0 HA THR A 33 0.065 7.935 -6.730 1.00 0.00 H new ATOM 0 HB THR A 33 1.188 6.825 -4.130 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.856 8.616 -4.456 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.343 6.526 -5.338 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.013 5.698 -6.182 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.629 7.249 -6.799 1.00 0.00 H new ATOM 404 N ALA A 34 -0.924 5.629 -6.443 1.00 0.00 N ATOM 405 CA ALA A 34 -1.747 4.351 -6.459 1.00 0.00 C ATOM 406 C ALA A 34 -0.797 3.141 -6.419 1.00 0.00 C ATOM 407 O ALA A 34 0.068 3.046 -7.278 1.00 0.00 O ATOM 408 CB ALA A 34 -2.510 4.318 -7.797 1.00 0.00 C ATOM 0 H ALA A 34 -0.348 5.745 -7.277 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.426 4.317 -5.607 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.115 3.413 -7.849 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.157 5.192 -7.868 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.798 4.326 -8.622 1.00 0.00 H new ATOM 414 N LEU A 35 -0.942 2.289 -5.380 1.00 0.00 N ATOM 415 CA LEU A 35 -0.068 1.048 -5.216 1.00 0.00 C ATOM 416 C LEU A 35 -0.728 -0.023 -4.308 1.00 0.00 C ATOM 417 O LEU A 35 -1.446 0.323 -3.387 1.00 0.00 O ATOM 418 CB LEU A 35 1.414 1.387 -4.707 1.00 0.00 C ATOM 419 CG LEU A 35 1.646 2.634 -3.668 1.00 0.00 C ATOM 420 CD1 LEU A 35 0.719 2.586 -2.363 1.00 0.00 C ATOM 421 CD2 LEU A 35 3.196 2.737 -3.242 1.00 0.00 C ATOM 0 H LEU A 35 -1.635 2.411 -4.642 1.00 0.00 H new ATOM 0 HA LEU A 35 0.025 0.627 -6.217 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.810 0.489 -4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.026 1.578 -5.588 1.00 0.00 H new ATOM 0 HG LEU A 35 1.348 3.528 -4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.937 3.446 -1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.329 2.610 -2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.918 1.669 -1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.329 3.571 -2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.502 1.811 -2.755 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.807 2.899 -4.130 1.00 0.00 H new ATOM 433 N GLN A 36 -0.461 -1.304 -4.655 1.00 0.00 N ATOM 434 CA GLN A 36 -0.984 -2.528 -3.927 1.00 0.00 C ATOM 435 C GLN A 36 0.092 -2.996 -2.942 1.00 0.00 C ATOM 436 O GLN A 36 1.263 -2.767 -3.196 1.00 0.00 O ATOM 437 CB GLN A 36 -1.188 -3.621 -5.054 1.00 0.00 C ATOM 438 CG GLN A 36 -1.895 -4.956 -4.616 1.00 0.00 C ATOM 439 CD GLN A 36 -2.172 -5.789 -5.871 1.00 0.00 C ATOM 440 OE1 GLN A 36 -1.290 -6.422 -6.416 1.00 0.00 O ATOM 441 NE2 GLN A 36 -3.380 -5.827 -6.357 1.00 0.00 N ATOM 0 H GLN A 36 0.128 -1.540 -5.454 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.905 -2.338 -3.376 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.770 -3.175 -5.860 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -0.211 -3.872 -5.467 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.262 -5.511 -3.924 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.826 -4.738 -4.092 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.128 -5.299 -5.907 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -3.578 -6.385 -7.188 1.00 0.00 H new ATOM 450 N CYS A 37 -0.364 -3.584 -1.818 1.00 0.00 N ATOM 451 CA CYS A 37 0.548 -4.124 -0.720 1.00 0.00 C ATOM 452 C CYS A 37 -0.130 -5.359 -0.100 1.00 0.00 C ATOM 453 O CYS A 37 -1.340 -5.353 0.049 1.00 0.00 O ATOM 454 CB CYS A 37 0.819 -3.073 0.409 1.00 0.00 C ATOM 455 SG CYS A 37 1.441 -1.415 -0.025 1.00 0.00 S ATOM 0 H CYS A 37 -1.357 -3.710 -1.621 1.00 0.00 H new ATOM 0 HA CYS A 37 1.510 -4.371 -1.169 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.113 -2.937 0.957 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.534 -3.517 1.102 1.00 0.00 H new ATOM 460 N ALA A 38 0.697 -6.365 0.253 1.00 0.00 N ATOM 461 CA ALA A 38 0.222 -7.675 0.873 1.00 0.00 C ATOM 462 C ALA A 38 0.373 -7.678 2.406 1.00 0.00 C ATOM 463 O ALA A 38 1.478 -7.491 2.895 1.00 0.00 O ATOM 464 CB ALA A 38 1.126 -8.786 0.298 1.00 0.00 C ATOM 0 H ALA A 38 1.708 -6.319 0.129 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.834 -7.820 0.644 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.827 -9.749 0.712 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.027 -8.811 -0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.164 -8.584 0.563 1.00 0.00 H new ATOM 470 N ILE A 39 -0.752 -7.920 3.107 1.00 0.00 N ATOM 471 CA ILE A 39 -0.787 -7.962 4.628 1.00 0.00 C ATOM 472 C ILE A 39 -0.265 -9.362 5.053 1.00 0.00 C ATOM 473 O ILE A 39 -0.834 -10.356 4.639 1.00 0.00 O ATOM 474 CB ILE A 39 -2.321 -7.706 5.127 1.00 0.00 C ATOM 475 CG1 ILE A 39 -2.871 -6.224 4.760 1.00 0.00 C ATOM 476 CG2 ILE A 39 -2.563 -8.081 6.693 1.00 0.00 C ATOM 477 CD1 ILE A 39 -2.452 -5.017 5.681 1.00 0.00 C ATOM 0 H ILE A 39 -1.657 -8.092 2.670 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.163 -7.191 5.080 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.924 -8.409 4.553 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.549 -5.993 3.744 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.960 -6.268 4.747 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.603 -7.887 6.957 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.339 -9.136 6.853 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.910 -7.472 7.318 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.900 -4.098 5.303 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.799 -5.198 6.698 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.366 -4.918 5.680 1.00 0.00 H new ATOM 489 N LEU A 40 0.800 -9.359 5.870 1.00 0.00 N ATOM 490 CA LEU A 40 1.474 -10.614 6.416 1.00 0.00 C ATOM 491 C LEU A 40 0.938 -10.787 7.860 1.00 0.00 C ATOM 492 O LEU A 40 0.047 -10.040 8.237 1.00 0.00 O ATOM 493 CB LEU A 40 3.046 -10.386 6.478 1.00 0.00 C ATOM 494 CG LEU A 40 3.780 -9.781 5.155 1.00 0.00 C ATOM 495 CD1 LEU A 40 5.374 -9.776 5.351 1.00 0.00 C ATOM 496 CD2 LEU A 40 3.387 -10.535 3.796 1.00 0.00 C ATOM 0 H LEU A 40 1.242 -8.497 6.190 1.00 0.00 H new ATOM 0 HA LEU A 40 1.269 -11.484 5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.254 -9.716 7.312 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.514 -11.342 6.713 1.00 0.00 H new ATOM 0 HG LEU A 40 3.418 -8.758 5.050 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.849 -9.369 4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.633 -9.160 6.213 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.724 -10.795 5.515 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.915 -10.076 2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.667 -11.586 3.869 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.312 -10.456 3.634 1.00 0.00 H new ATOM 508 N ALA A 41 1.474 -11.770 8.601 1.00 0.00 N ATOM 509 CA ALA A 41 1.045 -12.046 10.028 1.00 0.00 C ATOM 510 C ALA A 41 1.414 -10.881 10.957 1.00 0.00 C ATOM 511 O ALA A 41 0.580 -10.431 11.727 1.00 0.00 O ATOM 512 CB ALA A 41 1.786 -13.302 10.516 1.00 0.00 C ATOM 0 H ALA A 41 2.203 -12.397 8.260 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.037 -12.180 10.049 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.493 -13.521 11.543 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.529 -14.147 9.877 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.861 -13.129 10.474 1.00 0.00 H new ATOM 518 N ASP A 42 2.654 -10.410 10.799 1.00 0.00 N ATOM 519 CA ASP A 42 3.207 -9.253 11.623 1.00 0.00 C ATOM 520 C ASP A 42 2.581 -7.898 11.181 1.00 0.00 C ATOM 521 O ASP A 42 2.567 -6.951 11.958 1.00 0.00 O ATOM 522 CB ASP A 42 4.760 -9.208 11.484 1.00 0.00 C ATOM 523 CG ASP A 42 5.226 -9.546 10.066 1.00 0.00 C ATOM 524 OD1 ASP A 42 5.055 -8.694 9.226 1.00 0.00 O ATOM 525 OD2 ASP A 42 5.728 -10.647 9.912 1.00 0.00 O ATOM 0 H ASP A 42 3.316 -10.788 10.121 1.00 0.00 H new ATOM 0 HA ASP A 42 2.943 -9.413 12.668 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.118 -8.215 11.755 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.206 -9.911 12.188 1.00 0.00 H new ATOM 530 N GLY A 43 2.077 -7.866 9.937 1.00 0.00 N ATOM 531 CA GLY A 43 1.423 -6.642 9.332 1.00 0.00 C ATOM 532 C GLY A 43 2.389 -5.585 8.770 1.00 0.00 C ATOM 533 O GLY A 43 1.991 -4.429 8.711 1.00 0.00 O ATOM 0 H GLY A 43 2.099 -8.669 9.308 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.759 -6.965 8.530 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.799 -6.171 10.092 1.00 0.00 H new ATOM 537 N ARG A 44 3.604 -6.000 8.370 1.00 0.00 N ATOM 538 CA ARG A 44 4.632 -5.033 7.790 1.00 0.00 C ATOM 539 C ARG A 44 4.170 -4.650 6.371 1.00 0.00 C ATOM 540 O ARG A 44 3.633 -5.493 5.673 1.00 0.00 O ATOM 541 CB ARG A 44 6.021 -5.738 7.650 1.00 0.00 C ATOM 542 CG ARG A 44 6.796 -5.948 9.019 1.00 0.00 C ATOM 543 CD ARG A 44 7.894 -4.882 9.352 1.00 0.00 C ATOM 544 NE ARG A 44 7.417 -3.480 9.168 1.00 0.00 N ATOM 545 CZ ARG A 44 7.852 -2.547 9.968 1.00 0.00 C ATOM 546 NH1 ARG A 44 9.081 -2.127 9.837 1.00 0.00 N ATOM 547 NH2 ARG A 44 7.046 -2.065 10.874 1.00 0.00 N ATOM 0 H ARG A 44 3.920 -6.968 8.423 1.00 0.00 H new ATOM 0 HA ARG A 44 4.721 -4.166 8.444 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.875 -6.709 7.178 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.647 -5.149 6.980 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.067 -5.956 9.829 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.265 -6.932 9.002 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.223 -5.016 10.383 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.763 -5.051 8.716 1.00 0.00 H new ATOM 0 HE ARG A 44 6.757 -3.254 8.424 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.683 -2.528 9.118 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.439 -1.398 10.454 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.092 -2.419 10.948 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.370 -1.335 11.508 1.00 0.00 H new ATOM 561 N GLY A 45 4.422 -3.403 5.992 1.00 0.00 N ATOM 562 CA GLY A 45 4.026 -2.864 4.633 1.00 0.00 C ATOM 563 C GLY A 45 4.915 -3.330 3.464 1.00 0.00 C ATOM 564 O GLY A 45 5.678 -2.520 2.961 1.00 0.00 O ATOM 0 H GLY A 45 4.897 -2.722 6.584 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.997 -3.159 4.427 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.044 -1.775 4.671 1.00 0.00 H new ATOM 568 N ALA A 46 4.745 -4.591 3.038 1.00 0.00 N ATOM 569 CA ALA A 46 5.551 -5.173 1.892 1.00 0.00 C ATOM 570 C ALA A 46 4.844 -4.748 0.605 1.00 0.00 C ATOM 571 O ALA A 46 3.778 -5.270 0.328 1.00 0.00 O ATOM 572 CB ALA A 46 5.559 -6.715 2.036 1.00 0.00 C ATOM 0 H ALA A 46 4.072 -5.240 3.447 1.00 0.00 H new ATOM 0 HA ALA A 46 6.584 -4.824 1.885 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.134 -7.154 1.221 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.013 -6.989 2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.536 -7.089 2.000 1.00 0.00 H new ATOM 578 N CYS A 47 5.434 -3.746 -0.102 1.00 0.00 N ATOM 579 CA CYS A 47 4.853 -3.192 -1.406 1.00 0.00 C ATOM 580 C CYS A 47 5.910 -3.074 -2.514 1.00 0.00 C ATOM 581 O CYS A 47 7.052 -2.740 -2.238 1.00 0.00 O ATOM 582 CB CYS A 47 4.266 -1.765 -1.128 1.00 0.00 C ATOM 583 SG CYS A 47 3.404 -1.450 0.445 1.00 0.00 S ATOM 0 H CYS A 47 6.302 -3.295 0.186 1.00 0.00 H new ATOM 0 HA CYS A 47 4.084 -3.885 -1.747 1.00 0.00 H new ATOM 0 HB2 CYS A 47 5.088 -1.052 -1.200 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.571 -1.533 -1.935 1.00 0.00 H new ATOM 588 N ASN A 48 5.461 -3.366 -3.749 1.00 0.00 N ATOM 589 CA ASN A 48 6.337 -3.312 -4.979 1.00 0.00 C ATOM 590 C ASN A 48 6.397 -1.853 -5.492 1.00 0.00 C ATOM 591 O ASN A 48 5.378 -1.292 -5.871 1.00 0.00 O ATOM 592 CB ASN A 48 5.689 -4.240 -6.033 1.00 0.00 C ATOM 593 CG ASN A 48 6.304 -4.017 -7.424 1.00 0.00 C ATOM 594 OD1 ASN A 48 5.513 -3.779 -8.430 1.00 0.00 O flip ATOM 595 ND2 ASN A 48 7.505 -4.078 -7.615 1.00 0.00 N flip ATOM 0 H ASN A 48 4.499 -3.644 -3.942 1.00 0.00 H new ATOM 0 HA ASN A 48 7.356 -3.638 -4.768 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.822 -5.280 -5.736 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.616 -4.055 -6.073 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.137 -4.264 -6.836 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.880 -3.943 -8.554 1.00 0.00 H new ATOM 602 N VAL A 49 7.605 -1.292 -5.469 1.00 0.00 N ATOM 603 CA VAL A 49 7.878 0.138 -5.923 1.00 0.00 C ATOM 604 C VAL A 49 7.623 0.440 -7.436 1.00 0.00 C ATOM 605 O VAL A 49 7.330 1.570 -7.752 1.00 0.00 O ATOM 606 CB VAL A 49 9.411 0.523 -5.546 1.00 0.00 C ATOM 607 CG1 VAL A 49 9.546 0.974 -4.018 1.00 0.00 C ATOM 608 CG2 VAL A 49 10.468 -0.631 -5.908 1.00 0.00 C ATOM 0 H VAL A 49 8.439 -1.782 -5.144 1.00 0.00 H new ATOM 0 HA VAL A 49 7.150 0.752 -5.393 1.00 0.00 H new ATOM 0 HB VAL A 49 9.665 1.375 -6.177 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.585 1.224 -3.803 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.918 1.847 -3.840 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.227 0.159 -3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 49 11.471 -0.306 -5.630 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.216 -1.540 -5.361 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.436 -0.831 -6.979 1.00 0.00 H new ATOM 618 N ALA A 50 7.668 -0.575 -8.294 1.00 0.00 N ATOM 619 CA ALA A 50 7.443 -0.380 -9.799 1.00 0.00 C ATOM 620 C ALA A 50 6.014 0.015 -10.273 1.00 0.00 C ATOM 621 O ALA A 50 5.895 0.458 -11.403 1.00 0.00 O ATOM 622 CB ALA A 50 7.784 -1.706 -10.500 1.00 0.00 C ATOM 0 H ALA A 50 7.852 -1.540 -8.020 1.00 0.00 H new ATOM 0 HA ALA A 50 8.078 0.469 -10.054 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.633 -1.599 -11.574 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.825 -1.964 -10.303 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.136 -2.496 -10.120 1.00 0.00 H new ATOM 628 N GLU A 51 5.002 -0.096 -9.402 1.00 0.00 N ATOM 629 CA GLU A 51 3.547 0.260 -9.770 1.00 0.00 C ATOM 630 C GLU A 51 3.235 1.785 -9.734 1.00 0.00 C ATOM 631 O GLU A 51 2.192 2.195 -10.235 1.00 0.00 O ATOM 632 CB GLU A 51 2.610 -0.474 -8.711 1.00 0.00 C ATOM 633 CG GLU A 51 2.147 -1.897 -9.151 1.00 0.00 C ATOM 634 CD GLU A 51 1.406 -2.551 -7.982 1.00 0.00 C ATOM 635 OE1 GLU A 51 0.210 -2.320 -7.907 1.00 0.00 O ATOM 636 OE2 GLU A 51 2.071 -3.249 -7.237 1.00 0.00 O ATOM 0 H GLU A 51 5.119 -0.421 -8.442 1.00 0.00 H new ATOM 0 HA GLU A 51 3.375 -0.059 -10.798 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.143 -0.554 -7.764 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.730 0.143 -8.531 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.496 -1.831 -10.022 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.006 -2.502 -9.441 1.00 0.00 H new ATOM 643 N PHE A 52 4.181 2.577 -9.249 1.00 0.00 N ATOM 644 CA PHE A 52 4.011 4.095 -9.146 1.00 0.00 C ATOM 645 C PHE A 52 3.870 4.862 -10.487 1.00 0.00 C ATOM 646 O PHE A 52 4.137 4.314 -11.547 1.00 0.00 O ATOM 647 CB PHE A 52 5.240 4.662 -8.361 1.00 0.00 C ATOM 648 CG PHE A 52 6.440 5.173 -9.301 1.00 0.00 C ATOM 649 CD1 PHE A 52 7.256 4.254 -10.017 1.00 0.00 C ATOM 650 CD2 PHE A 52 6.811 6.550 -9.390 1.00 0.00 C ATOM 651 CE1 PHE A 52 8.348 4.686 -10.741 1.00 0.00 C ATOM 652 CE2 PHE A 52 7.911 6.937 -10.128 1.00 0.00 C ATOM 653 CZ PHE A 52 8.671 6.015 -10.797 1.00 0.00 C ATOM 0 H PHE A 52 5.082 2.237 -8.912 1.00 0.00 H new ATOM 0 HA PHE A 52 3.060 4.254 -8.638 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.907 5.489 -7.734 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.620 3.888 -7.694 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.017 3.201 -9.994 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.224 7.296 -8.874 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.956 3.967 -11.270 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.176 7.983 -10.179 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.528 6.337 -11.370 1.00 0.00 H new ATOM 663 N HIS A 53 3.423 6.112 -10.337 1.00 0.00 N ATOM 664 CA HIS A 53 3.198 7.086 -11.473 1.00 0.00 C ATOM 665 C HIS A 53 3.546 8.477 -10.946 1.00 0.00 C ATOM 666 O HIS A 53 4.382 9.144 -11.525 1.00 0.00 O ATOM 667 CB HIS A 53 1.717 7.051 -11.900 1.00 0.00 C ATOM 668 CG HIS A 53 1.541 6.048 -13.054 1.00 0.00 C ATOM 669 ND1 HIS A 53 1.659 6.354 -14.290 1.00 0.00 N ATOM 670 CD2 HIS A 53 1.236 4.696 -13.030 1.00 0.00 C ATOM 671 CE1 HIS A 53 1.451 5.298 -14.999 1.00 0.00 C ATOM 672 NE2 HIS A 53 1.182 4.227 -14.276 1.00 0.00 N ATOM 0 H HIS A 53 3.197 6.506 -9.424 1.00 0.00 H new ATOM 0 HA HIS A 53 3.813 6.829 -12.335 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.090 6.764 -11.056 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.394 8.044 -12.214 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.068 4.112 -12.137 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.493 5.290 -16.078 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.983 3.278 -14.592 1.00 0.00 H new ATOM 679 N ASP A 54 2.918 8.820 -9.813 1.00 0.00 N ATOM 680 CA ASP A 54 3.089 10.150 -9.071 1.00 0.00 C ATOM 681 C ASP A 54 2.919 11.443 -9.929 1.00 0.00 C ATOM 682 O ASP A 54 3.836 11.852 -10.628 1.00 0.00 O ATOM 683 CB ASP A 54 4.461 10.187 -8.289 1.00 0.00 C ATOM 684 CG ASP A 54 4.567 11.476 -7.453 1.00 0.00 C ATOM 685 OD1 ASP A 54 3.952 11.499 -6.397 1.00 0.00 O ATOM 686 OD2 ASP A 54 5.286 12.357 -7.903 1.00 0.00 O ATOM 0 H ASP A 54 2.258 8.195 -9.350 1.00 0.00 H new ATOM 0 HA ASP A 54 2.251 10.171 -8.374 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.540 9.316 -7.638 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.291 10.134 -8.994 1.00 0.00 H new ATOM 691 N PHE A 55 1.708 12.023 -9.876 1.00 0.00 N ATOM 692 CA PHE A 55 1.346 13.296 -10.636 1.00 0.00 C ATOM 693 C PHE A 55 0.149 13.951 -9.925 1.00 0.00 C ATOM 694 O PHE A 55 -0.666 13.256 -9.332 1.00 0.00 O ATOM 695 CB PHE A 55 1.032 13.064 -12.173 1.00 0.00 C ATOM 696 CG PHE A 55 -0.416 12.466 -12.452 1.00 0.00 C ATOM 697 CD1 PHE A 55 -0.738 11.140 -12.081 1.00 0.00 C ATOM 698 CD2 PHE A 55 -1.439 13.210 -13.107 1.00 0.00 C ATOM 699 CE1 PHE A 55 -1.981 10.615 -12.343 1.00 0.00 C ATOM 700 CE2 PHE A 55 -2.670 12.645 -13.351 1.00 0.00 C ATOM 701 CZ PHE A 55 -2.937 11.361 -12.973 1.00 0.00 C ATOM 0 H PHE A 55 0.939 11.650 -9.319 1.00 0.00 H new ATOM 0 HA PHE A 55 2.218 13.950 -10.625 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.131 14.012 -12.701 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.780 12.388 -12.589 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.003 10.531 -11.585 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.247 14.227 -13.415 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.205 9.601 -12.047 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.434 13.225 -13.848 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.908 10.933 -13.173 1.00 0.00 H new ATOM 711 N SER A 56 0.123 15.284 -9.972 1.00 0.00 N ATOM 712 CA SER A 56 -0.967 16.109 -9.325 1.00 0.00 C ATOM 713 C SER A 56 -2.351 15.933 -9.971 1.00 0.00 C ATOM 714 O SER A 56 -2.433 15.592 -11.134 1.00 0.00 O ATOM 715 CB SER A 56 -0.538 17.585 -9.462 1.00 0.00 C ATOM 716 OG SER A 56 -0.600 17.855 -10.855 1.00 0.00 O ATOM 0 H SER A 56 0.834 15.841 -10.446 1.00 0.00 H new ATOM 0 HA SER A 56 -1.076 15.782 -8.291 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.202 18.243 -8.902 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.468 17.742 -9.073 1.00 0.00 H new ATOM 0 HG SER A 56 -0.340 18.785 -11.020 1.00 0.00 H new ATOM 722 N LEU A 57 -3.391 16.243 -9.185 1.00 0.00 N ATOM 723 CA LEU A 57 -4.827 16.128 -9.658 1.00 0.00 C ATOM 724 C LEU A 57 -5.151 17.371 -10.521 1.00 0.00 C ATOM 725 O LEU A 57 -4.752 18.485 -10.196 1.00 0.00 O ATOM 726 CB LEU A 57 -5.811 16.093 -8.399 1.00 0.00 C ATOM 727 CG LEU A 57 -5.459 15.040 -7.190 1.00 0.00 C ATOM 728 CD1 LEU A 57 -6.634 14.995 -6.103 1.00 0.00 C ATOM 729 CD2 LEU A 57 -5.112 13.557 -7.690 1.00 0.00 C ATOM 0 H LEU A 57 -3.294 16.574 -8.225 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.957 15.213 -10.236 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.847 17.095 -7.972 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.813 15.865 -8.762 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.550 15.427 -6.731 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.373 14.289 -5.314 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.769 15.987 -5.672 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.561 14.678 -6.582 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.892 12.925 -6.830 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.964 13.147 -8.232 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.244 13.589 -8.349 1.00 0.00 H new ATOM 741 N SER A 58 -5.829 17.107 -11.640 1.00 0.00 N ATOM 742 CA SER A 58 -6.238 18.176 -12.624 1.00 0.00 C ATOM 743 C SER A 58 -7.326 19.098 -12.101 1.00 0.00 C ATOM 744 O SER A 58 -7.310 20.288 -12.380 1.00 0.00 O ATOM 745 CB SER A 58 -6.794 17.462 -13.862 1.00 0.00 C ATOM 746 OG SER A 58 -5.638 17.063 -14.582 1.00 0.00 O ATOM 0 H SER A 58 -6.119 16.167 -11.910 1.00 0.00 H new ATOM 0 HA SER A 58 -5.362 18.791 -12.829 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.407 16.604 -13.585 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.424 18.125 -14.455 1.00 0.00 H new ATOM 0 HG SER A 58 -5.907 16.592 -15.398 1.00 0.00 H new ATOM 752 N GLY A 59 -8.236 18.505 -11.379 1.00 0.00 N ATOM 753 CA GLY A 59 -9.391 19.255 -10.777 1.00 0.00 C ATOM 754 C GLY A 59 -10.221 18.303 -9.928 1.00 0.00 C ATOM 755 O GLY A 59 -11.413 18.164 -10.143 1.00 0.00 O ATOM 0 H GLY A 59 -8.233 17.506 -11.172 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.025 20.080 -10.166 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.007 19.690 -11.564 1.00 0.00 H new ATOM 759 N GLY A 60 -9.527 17.658 -9.008 1.00 0.00 N ATOM 760 CA GLY A 60 -10.152 16.669 -8.058 1.00 0.00 C ATOM 761 C GLY A 60 -10.459 15.317 -8.722 1.00 0.00 C ATOM 762 O GLY A 60 -11.344 14.626 -8.254 1.00 0.00 O ATOM 0 H GLY A 60 -8.523 17.781 -8.874 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.481 16.510 -7.214 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.074 17.090 -7.658 1.00 0.00 H new ATOM 766 N GLU A 61 -9.729 15.014 -9.812 1.00 0.00 N ATOM 767 CA GLU A 61 -9.867 13.719 -10.624 1.00 0.00 C ATOM 768 C GLU A 61 -8.445 13.321 -11.031 1.00 0.00 C ATOM 769 O GLU A 61 -7.584 14.186 -11.049 1.00 0.00 O ATOM 770 CB GLU A 61 -10.655 13.936 -11.971 1.00 0.00 C ATOM 771 CG GLU A 61 -12.005 14.683 -11.830 1.00 0.00 C ATOM 772 CD GLU A 61 -12.841 14.417 -13.083 1.00 0.00 C ATOM 773 OE1 GLU A 61 -12.586 15.103 -14.060 1.00 0.00 O ATOM 774 OE2 GLU A 61 -13.688 13.543 -12.993 1.00 0.00 O ATOM 0 H GLU A 61 -9.015 15.641 -10.183 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.396 12.982 -10.020 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.020 14.493 -12.660 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.842 12.963 -12.425 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.536 14.342 -10.941 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.835 15.753 -11.708 1.00 0.00 H new ATOM 781 N GLY A 62 -8.230 12.036 -11.335 1.00 0.00 N ATOM 782 CA GLY A 62 -6.854 11.554 -11.748 1.00 0.00 C ATOM 783 C GLY A 62 -6.838 10.058 -12.094 1.00 0.00 C ATOM 784 O GLY A 62 -6.357 9.259 -11.305 1.00 0.00 O ATOM 0 H GLY A 62 -8.948 11.312 -11.313 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.515 12.127 -12.611 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.147 11.745 -10.940 1.00 0.00 H new ATOM 788 N THR A 63 -7.329 9.753 -13.290 1.00 0.00 N ATOM 789 CA THR A 63 -7.397 8.336 -13.816 1.00 0.00 C ATOM 790 C THR A 63 -5.989 7.891 -14.253 1.00 0.00 C ATOM 791 O THR A 63 -5.188 8.742 -14.607 1.00 0.00 O ATOM 792 CB THR A 63 -8.325 8.394 -15.077 1.00 0.00 C ATOM 793 OG1 THR A 63 -9.373 9.267 -14.702 1.00 0.00 O ATOM 794 CG2 THR A 63 -9.081 7.076 -15.441 1.00 0.00 C ATOM 0 H THR A 63 -7.695 10.450 -13.939 1.00 0.00 H new ATOM 0 HA THR A 63 -7.770 7.641 -13.064 1.00 0.00 H new ATOM 0 HB THR A 63 -7.688 8.659 -15.920 1.00 0.00 H new ATOM 0 HG1 THR A 63 -10.004 9.359 -15.446 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.690 7.240 -16.330 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.358 6.284 -15.637 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.723 6.783 -14.610 1.00 0.00 H new ATOM 802 N THR A 64 -5.723 6.575 -14.166 1.00 0.00 N ATOM 803 CA THR A 64 -4.365 6.004 -14.574 1.00 0.00 C ATOM 804 C THR A 64 -4.400 4.467 -14.815 1.00 0.00 C ATOM 805 O THR A 64 -4.971 3.737 -14.022 1.00 0.00 O ATOM 806 CB THR A 64 -3.247 6.349 -13.524 1.00 0.00 C ATOM 807 OG1 THR A 64 -2.298 5.308 -13.639 1.00 0.00 O ATOM 808 CG2 THR A 64 -3.652 6.284 -12.019 1.00 0.00 C ATOM 0 H THR A 64 -6.390 5.880 -13.830 1.00 0.00 H new ATOM 0 HA THR A 64 -4.122 6.484 -15.522 1.00 0.00 H new ATOM 0 HB THR A 64 -2.940 7.371 -13.745 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.565 5.462 -13.007 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.793 6.543 -11.400 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.462 6.988 -11.829 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.984 5.275 -11.775 1.00 0.00 H new ATOM 816 N SER A 65 -3.757 4.050 -15.920 1.00 0.00 N ATOM 817 CA SER A 65 -3.671 2.593 -16.336 1.00 0.00 C ATOM 818 C SER A 65 -2.561 1.855 -15.549 1.00 0.00 C ATOM 819 O SER A 65 -1.393 2.184 -15.714 1.00 0.00 O ATOM 820 CB SER A 65 -3.333 2.541 -17.849 1.00 0.00 C ATOM 821 OG SER A 65 -2.366 3.561 -18.068 1.00 0.00 O ATOM 0 H SER A 65 -3.280 4.686 -16.559 1.00 0.00 H new ATOM 0 HA SER A 65 -4.623 2.105 -16.127 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.940 1.563 -18.128 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.224 2.711 -18.454 1.00 0.00 H new ATOM 0 HG SER A 65 -1.680 3.517 -17.370 1.00 0.00 H new ATOM 827 N VAL A 66 -2.990 0.903 -14.695 1.00 0.00 N ATOM 828 CA VAL A 66 -2.072 0.045 -13.812 1.00 0.00 C ATOM 829 C VAL A 66 -2.146 -1.398 -14.385 1.00 0.00 C ATOM 830 O VAL A 66 -3.150 -1.751 -14.982 1.00 0.00 O ATOM 831 CB VAL A 66 -2.638 0.160 -12.289 1.00 0.00 C ATOM 832 CG1 VAL A 66 -2.156 -1.013 -11.296 1.00 0.00 C ATOM 833 CG2 VAL A 66 -2.288 1.596 -11.660 1.00 0.00 C ATOM 0 H VAL A 66 -3.979 0.682 -14.574 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.028 0.359 -13.803 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.718 0.041 -12.380 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.583 -0.851 -10.307 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.490 -1.976 -11.682 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.068 -1.007 -11.227 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.675 1.652 -10.643 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.207 1.733 -11.645 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.744 2.379 -12.265 1.00 0.00 H new ATOM 843 N VAL A 67 -1.030 -2.135 -14.202 1.00 0.00 N ATOM 844 CA VAL A 67 -0.830 -3.583 -14.658 1.00 0.00 C ATOM 845 C VAL A 67 -0.366 -4.300 -13.365 1.00 0.00 C ATOM 846 O VAL A 67 0.358 -3.683 -12.594 1.00 0.00 O ATOM 847 CB VAL A 67 0.312 -3.708 -15.811 1.00 0.00 C ATOM 848 CG1 VAL A 67 0.225 -5.097 -16.617 1.00 0.00 C ATOM 849 CG2 VAL A 67 0.275 -2.470 -16.820 1.00 0.00 C ATOM 0 H VAL A 67 -0.209 -1.759 -13.727 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.734 -4.005 -15.098 1.00 0.00 H new ATOM 0 HB VAL A 67 1.269 -3.693 -15.290 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.009 -5.128 -17.374 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.356 -5.928 -15.924 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.749 -5.177 -17.100 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.053 -2.592 -17.574 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.699 -2.427 -17.307 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.446 -1.546 -16.268 1.00 0.00 H new ATOM 859 N VAL A 68 -0.847 -5.550 -13.162 1.00 0.00 N ATOM 860 CA VAL A 68 -0.490 -6.400 -11.928 1.00 0.00 C ATOM 861 C VAL A 68 -0.307 -7.910 -12.282 1.00 0.00 C ATOM 862 O VAL A 68 -1.132 -8.490 -12.964 1.00 0.00 O ATOM 863 CB VAL A 68 -1.625 -6.299 -10.783 1.00 0.00 C ATOM 864 CG1 VAL A 68 -1.306 -5.168 -9.699 1.00 0.00 C ATOM 865 CG2 VAL A 68 -3.108 -6.144 -11.368 1.00 0.00 C ATOM 0 H VAL A 68 -1.480 -6.017 -13.812 1.00 0.00 H new ATOM 0 HA VAL A 68 0.452 -5.994 -11.560 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.594 -7.260 -10.270 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.101 -5.144 -8.954 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.357 -5.390 -9.210 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.242 -4.198 -10.193 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.819 -6.082 -10.544 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.169 -5.237 -11.969 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.346 -7.008 -11.989 1.00 0.00 H new ATOM 875 N ARG A 69 0.804 -8.466 -11.774 1.00 0.00 N ATOM 876 CA ARG A 69 1.214 -9.923 -11.969 1.00 0.00 C ATOM 877 C ARG A 69 0.613 -10.767 -10.818 1.00 0.00 C ATOM 878 O ARG A 69 0.217 -10.201 -9.810 1.00 0.00 O ATOM 879 CB ARG A 69 2.795 -9.975 -11.892 1.00 0.00 C ATOM 880 CG ARG A 69 3.540 -9.446 -13.197 1.00 0.00 C ATOM 881 CD ARG A 69 3.866 -10.541 -14.265 1.00 0.00 C ATOM 882 NE ARG A 69 4.213 -9.844 -15.535 1.00 0.00 N ATOM 883 CZ ARG A 69 3.964 -10.428 -16.676 1.00 0.00 C ATOM 884 NH1 ARG A 69 4.752 -11.384 -17.081 1.00 0.00 N ATOM 885 NH2 ARG A 69 2.932 -10.035 -17.373 1.00 0.00 N ATOM 0 H ARG A 69 1.468 -7.939 -11.208 1.00 0.00 H new ATOM 0 HA ARG A 69 0.860 -10.314 -12.923 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.124 -9.384 -11.037 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.103 -11.004 -11.706 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.922 -8.679 -13.663 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.471 -8.966 -12.896 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.695 -11.165 -13.932 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.010 -11.200 -14.411 1.00 0.00 H new ATOM 0 HE ARG A 69 4.641 -8.919 -15.513 1.00 0.00 H new ATOM 0 HH11 ARG A 69 5.548 -11.665 -16.509 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.572 -11.851 -17.970 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.337 -9.284 -17.024 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.721 -10.479 -18.267 1.00 0.00 H new ATOM 899 N ARG A 70 0.566 -12.100 -11.009 1.00 0.00 N ATOM 900 CA ARG A 70 0.009 -13.082 -9.984 1.00 0.00 C ATOM 901 C ARG A 70 0.873 -13.153 -8.689 1.00 0.00 C ATOM 902 O ARG A 70 0.360 -13.548 -7.655 1.00 0.00 O ATOM 903 CB ARG A 70 0.042 -14.480 -10.723 1.00 0.00 C ATOM 904 CG ARG A 70 -0.543 -15.780 -9.994 1.00 0.00 C ATOM 905 CD ARG A 70 -1.976 -15.683 -9.383 1.00 0.00 C ATOM 906 NE ARG A 70 -2.916 -14.999 -10.318 1.00 0.00 N ATOM 907 CZ ARG A 70 -4.065 -14.571 -9.874 1.00 0.00 C ATOM 908 NH1 ARG A 70 -5.089 -15.381 -9.896 1.00 0.00 N ATOM 909 NH2 ARG A 70 -4.152 -13.349 -9.427 1.00 0.00 N ATOM 0 H ARG A 70 0.903 -12.550 -11.860 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.986 -12.780 -9.658 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.498 -14.364 -11.663 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.081 -14.689 -10.976 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.539 -16.599 -10.714 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.145 -16.055 -9.195 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.347 -16.683 -9.158 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -1.936 -15.138 -8.440 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.662 -14.867 -11.297 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.981 -16.329 -10.256 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.996 -15.065 -9.553 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.330 -12.746 -9.429 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.042 -12.997 -9.076 1.00 0.00 H new ATOM 923 N SER A 71 2.153 -12.806 -8.818 1.00 0.00 N ATOM 924 CA SER A 71 3.145 -12.815 -7.670 1.00 0.00 C ATOM 925 C SER A 71 4.270 -11.837 -7.992 1.00 0.00 C ATOM 926 O SER A 71 4.522 -11.603 -9.161 1.00 0.00 O ATOM 927 CB SER A 71 3.733 -14.231 -7.568 1.00 0.00 C ATOM 928 OG SER A 71 3.818 -14.667 -8.916 1.00 0.00 O ATOM 0 H SER A 71 2.560 -12.507 -9.704 1.00 0.00 H new ATOM 0 HA SER A 71 2.661 -12.531 -6.735 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.712 -14.223 -7.089 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.094 -14.887 -6.976 1.00 0.00 H new ATOM 0 HG SER A 71 4.190 -15.573 -8.944 1.00 0.00 H new ATOM 934 N PHE A 72 4.877 -11.256 -6.942 1.00 0.00 N ATOM 935 CA PHE A 72 6.012 -10.258 -7.128 1.00 0.00 C ATOM 936 C PHE A 72 6.925 -10.186 -5.901 1.00 0.00 C ATOM 937 O PHE A 72 6.482 -10.436 -4.789 1.00 0.00 O ATOM 938 CB PHE A 72 5.412 -8.833 -7.439 1.00 0.00 C ATOM 939 CG PHE A 72 4.064 -8.534 -6.615 1.00 0.00 C ATOM 940 CD1 PHE A 72 4.097 -8.066 -5.270 1.00 0.00 C ATOM 941 CD2 PHE A 72 2.768 -8.701 -7.190 1.00 0.00 C ATOM 942 CE1 PHE A 72 2.931 -7.798 -4.584 1.00 0.00 C ATOM 943 CE2 PHE A 72 1.630 -8.420 -6.464 1.00 0.00 C ATOM 944 CZ PHE A 72 1.710 -7.973 -5.175 1.00 0.00 C ATOM 0 H PHE A 72 4.629 -11.436 -5.969 1.00 0.00 H new ATOM 0 HA PHE A 72 6.622 -10.598 -7.965 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.154 -8.071 -7.202 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.205 -8.755 -8.506 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.048 -7.919 -4.781 1.00 0.00 H new ATOM 0 HD2 PHE A 72 2.678 -9.052 -8.207 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.983 -7.445 -3.565 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.661 -8.555 -6.921 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.808 -7.758 -4.622 1.00 0.00 H new ATOM 954 N THR A 73 8.197 -9.872 -6.190 1.00 0.00 N ATOM 955 CA THR A 73 9.274 -9.740 -5.158 1.00 0.00 C ATOM 956 C THR A 73 8.985 -8.505 -4.283 1.00 0.00 C ATOM 957 O THR A 73 9.204 -7.382 -4.717 1.00 0.00 O ATOM 958 CB THR A 73 10.607 -9.590 -5.975 1.00 0.00 C ATOM 959 OG1 THR A 73 10.855 -10.898 -6.455 1.00 0.00 O ATOM 960 CG2 THR A 73 11.916 -9.271 -5.166 1.00 0.00 C ATOM 0 H THR A 73 8.523 -9.700 -7.141 1.00 0.00 H new ATOM 0 HA THR A 73 9.335 -10.593 -4.482 1.00 0.00 H new ATOM 0 HB THR A 73 10.447 -8.769 -6.674 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.679 -10.901 -6.986 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.759 -9.194 -5.853 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.794 -8.327 -4.634 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.104 -10.070 -4.449 1.00 0.00 H new ATOM 968 N GLY A 74 8.493 -8.779 -3.074 1.00 0.00 N ATOM 969 CA GLY A 74 8.148 -7.700 -2.077 1.00 0.00 C ATOM 970 C GLY A 74 9.417 -7.022 -1.530 1.00 0.00 C ATOM 971 O GLY A 74 10.472 -7.640 -1.535 1.00 0.00 O ATOM 0 H GLY A 74 8.316 -9.726 -2.739 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.509 -6.954 -2.550 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.579 -8.131 -1.253 1.00 0.00 H new ATOM 975 N TYR A 75 9.241 -5.767 -1.093 1.00 0.00 N ATOM 976 CA TYR A 75 10.345 -4.910 -0.518 1.00 0.00 C ATOM 977 C TYR A 75 9.816 -4.164 0.721 1.00 0.00 C ATOM 978 O TYR A 75 8.837 -3.433 0.614 1.00 0.00 O ATOM 979 CB TYR A 75 10.731 -3.908 -1.644 1.00 0.00 C ATOM 980 CG TYR A 75 11.674 -2.724 -1.131 1.00 0.00 C ATOM 981 CD1 TYR A 75 13.053 -2.939 -0.901 1.00 0.00 C ATOM 982 CD2 TYR A 75 11.206 -1.389 -0.953 1.00 0.00 C ATOM 983 CE1 TYR A 75 13.884 -1.899 -0.538 1.00 0.00 C ATOM 984 CE2 TYR A 75 12.071 -0.378 -0.589 1.00 0.00 C ATOM 985 CZ TYR A 75 13.403 -0.624 -0.380 1.00 0.00 C ATOM 986 OH TYR A 75 14.252 0.401 -0.014 1.00 0.00 O ATOM 0 H TYR A 75 8.337 -5.296 -1.118 1.00 0.00 H new ATOM 0 HA TYR A 75 11.208 -5.497 -0.205 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.237 -4.447 -2.445 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.823 -3.483 -2.071 1.00 0.00 H new ATOM 0 HD1 TYR A 75 13.462 -3.933 -1.011 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.160 -1.166 -1.105 1.00 0.00 H new ATOM 0 HE1 TYR A 75 14.934 -2.093 -0.375 1.00 0.00 H new ATOM 0 HE2 TYR A 75 11.692 0.626 -0.466 1.00 0.00 H new ATOM 0 HH TYR A 75 13.746 1.237 0.052 1.00 0.00 H new ATOM 996 N VAL A 76 10.506 -4.378 1.854 1.00 0.00 N ATOM 997 CA VAL A 76 10.140 -3.731 3.184 1.00 0.00 C ATOM 998 C VAL A 76 10.554 -2.235 3.077 1.00 0.00 C ATOM 999 O VAL A 76 11.507 -1.928 2.377 1.00 0.00 O ATOM 1000 CB VAL A 76 10.904 -4.425 4.437 1.00 0.00 C ATOM 1001 CG1 VAL A 76 10.049 -4.325 5.800 1.00 0.00 C ATOM 1002 CG2 VAL A 76 11.332 -5.941 4.166 1.00 0.00 C ATOM 0 H VAL A 76 11.322 -4.988 1.905 1.00 0.00 H new ATOM 0 HA VAL A 76 9.073 -3.850 3.370 1.00 0.00 H new ATOM 0 HB VAL A 76 11.822 -3.850 4.557 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.599 -4.802 6.611 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.877 -3.277 6.046 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.091 -4.828 5.666 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.837 -6.339 5.046 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.444 -6.538 3.956 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.007 -5.981 3.311 1.00 0.00 H new ATOM 1055 N GLY A 80 15.921 -3.573 4.254 1.00 0.00 N ATOM 1056 CA GLY A 80 15.838 -5.079 4.112 1.00 0.00 C ATOM 1057 C GLY A 80 15.637 -5.728 5.533 1.00 0.00 C ATOM 1058 O GLY A 80 15.404 -4.947 6.442 1.00 0.00 O ATOM 0 HA2 GLY A 80 15.010 -5.348 3.457 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.748 -5.463 3.650 1.00 0.00 H new ATOM 1062 N PRO A 81 15.710 -7.116 5.761 1.00 0.00 N ATOM 1063 CA PRO A 81 15.979 -8.241 4.761 1.00 0.00 C ATOM 1064 C PRO A 81 14.803 -8.490 3.804 1.00 0.00 C ATOM 1065 O PRO A 81 13.660 -8.388 4.226 1.00 0.00 O ATOM 1066 CB PRO A 81 16.151 -9.506 5.629 1.00 0.00 C ATOM 1067 CG PRO A 81 15.676 -9.174 7.052 1.00 0.00 C ATOM 1068 CD PRO A 81 15.510 -7.655 7.153 1.00 0.00 C ATOM 0 HA PRO A 81 16.841 -7.986 4.145 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.572 -10.332 5.217 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.194 -9.822 5.640 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.732 -9.676 7.265 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.398 -9.528 7.787 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.521 -7.396 7.532 1.00 0.00 H new ATOM 0 HD3 PRO A 81 16.238 -7.229 7.843 1.00 0.00 H new ATOM 1076 N GLU A 82 15.139 -8.811 2.546 1.00 0.00 N ATOM 1077 CA GLU A 82 14.109 -9.088 1.470 1.00 0.00 C ATOM 1078 C GLU A 82 13.367 -10.422 1.765 1.00 0.00 C ATOM 1079 O GLU A 82 13.996 -11.394 2.174 1.00 0.00 O ATOM 1080 CB GLU A 82 14.897 -9.174 0.099 1.00 0.00 C ATOM 1081 CG GLU A 82 14.063 -8.791 -1.167 1.00 0.00 C ATOM 1082 CD GLU A 82 14.832 -9.267 -2.401 1.00 0.00 C ATOM 1083 OE1 GLU A 82 15.721 -8.534 -2.801 1.00 0.00 O ATOM 1084 OE2 GLU A 82 14.488 -10.339 -2.873 1.00 0.00 O ATOM 0 H GLU A 82 16.104 -8.891 2.225 1.00 0.00 H new ATOM 0 HA GLU A 82 13.355 -8.302 1.433 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.766 -8.519 0.155 1.00 0.00 H new ATOM 0 HB3 GLU A 82 15.271 -10.190 -0.025 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.078 -9.256 -1.129 1.00 0.00 H new ATOM 0 HG3 GLU A 82 13.906 -7.713 -1.208 1.00 0.00 H new ATOM 1091 N VAL A 83 12.043 -10.387 1.555 1.00 0.00 N ATOM 1092 CA VAL A 83 11.125 -11.580 1.783 1.00 0.00 C ATOM 1093 C VAL A 83 11.178 -12.571 0.605 1.00 0.00 C ATOM 1094 O VAL A 83 11.095 -13.769 0.833 1.00 0.00 O ATOM 1095 CB VAL A 83 9.601 -11.107 2.017 1.00 0.00 C ATOM 1096 CG1 VAL A 83 9.289 -10.890 3.570 1.00 0.00 C ATOM 1097 CG2 VAL A 83 9.159 -9.822 1.167 1.00 0.00 C ATOM 0 H VAL A 83 11.555 -9.554 1.226 1.00 0.00 H new ATOM 0 HA VAL A 83 11.484 -12.085 2.680 1.00 0.00 H new ATOM 0 HB VAL A 83 8.995 -11.930 1.639 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.254 -10.572 3.692 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.447 -11.825 4.107 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.954 -10.125 3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.120 -9.578 1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.794 -8.976 1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.262 -10.037 0.103 1.00 0.00 H new ATOM 1107 N GLY A 84 11.278 -12.022 -0.598 1.00 0.00 N ATOM 1108 CA GLY A 84 11.346 -12.808 -1.873 1.00 0.00 C ATOM 1109 C GLY A 84 9.946 -12.990 -2.440 1.00 0.00 C ATOM 1110 O GLY A 84 9.013 -12.339 -1.995 1.00 0.00 O ATOM 0 H GLY A 84 11.316 -11.013 -0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 84 11.977 -12.292 -2.596 1.00 0.00 H new ATOM 0 HA3 GLY A 84 11.803 -13.780 -1.688 1.00 0.00 H new ATOM 1114 N ALA A 85 9.888 -13.842 -3.435 1.00 0.00 N ATOM 1115 CA ALA A 85 8.614 -14.186 -4.159 1.00 0.00 C ATOM 1116 C ALA A 85 7.549 -14.839 -3.251 1.00 0.00 C ATOM 1117 O ALA A 85 7.780 -15.926 -2.735 1.00 0.00 O ATOM 1118 CB ALA A 85 8.984 -15.175 -5.279 1.00 0.00 C ATOM 0 H ALA A 85 10.706 -14.336 -3.792 1.00 0.00 H new ATOM 0 HA ALA A 85 8.175 -13.262 -4.536 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.086 -15.452 -5.831 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.697 -14.706 -5.957 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.431 -16.068 -4.843 1.00 0.00 H new ATOM 1124 N VAL A 86 6.457 -14.072 -3.033 1.00 0.00 N ATOM 1125 CA VAL A 86 5.267 -14.485 -2.185 1.00 0.00 C ATOM 1126 C VAL A 86 3.986 -14.159 -2.994 1.00 0.00 C ATOM 1127 O VAL A 86 3.951 -13.150 -3.682 1.00 0.00 O ATOM 1128 CB VAL A 86 5.354 -13.733 -0.745 1.00 0.00 C ATOM 1129 CG1 VAL A 86 5.058 -12.157 -0.789 1.00 0.00 C ATOM 1130 CG2 VAL A 86 4.497 -14.469 0.385 1.00 0.00 C ATOM 0 H VAL A 86 6.356 -13.140 -3.434 1.00 0.00 H new ATOM 0 HA VAL A 86 5.255 -15.552 -1.964 1.00 0.00 H new ATOM 0 HB VAL A 86 6.405 -13.814 -0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.139 -11.743 0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.782 -11.669 -1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.052 -11.986 -1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.591 -13.925 1.325 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.449 -14.498 0.086 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.865 -15.486 0.516 1.00 0.00 H new ATOM 1140 N ASP A 87 3.002 -15.054 -2.872 1.00 0.00 N ATOM 1141 CA ASP A 87 1.668 -14.928 -3.576 1.00 0.00 C ATOM 1142 C ASP A 87 0.649 -14.319 -2.613 1.00 0.00 C ATOM 1143 O ASP A 87 0.801 -14.449 -1.409 1.00 0.00 O ATOM 1144 CB ASP A 87 1.177 -16.344 -3.964 1.00 0.00 C ATOM 1145 CG ASP A 87 2.368 -17.284 -4.197 1.00 0.00 C ATOM 1146 OD1 ASP A 87 2.900 -17.226 -5.291 1.00 0.00 O ATOM 1147 OD2 ASP A 87 2.670 -18.018 -3.271 1.00 0.00 O ATOM 0 H ASP A 87 3.080 -15.890 -2.293 1.00 0.00 H new ATOM 0 HA ASP A 87 1.775 -14.300 -4.460 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.541 -16.743 -3.174 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.568 -16.289 -4.866 1.00 0.00 H new ATOM 1152 N CYS A 88 -0.353 -13.670 -3.180 1.00 0.00 N ATOM 1153 CA CYS A 88 -1.443 -13.011 -2.372 1.00 0.00 C ATOM 1154 C CYS A 88 -2.431 -14.024 -1.755 1.00 0.00 C ATOM 1155 O CYS A 88 -3.006 -13.751 -0.716 1.00 0.00 O ATOM 1156 CB CYS A 88 -2.222 -12.103 -3.343 1.00 0.00 C ATOM 1157 SG CYS A 88 -3.490 -11.025 -2.639 1.00 0.00 S ATOM 0 H CYS A 88 -0.462 -13.568 -4.189 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.986 -12.467 -1.545 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -1.502 -11.476 -3.869 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -2.697 -12.739 -4.090 1.00 0.00 H new ATOM 1162 N ASP A 89 -2.570 -15.169 -2.410 1.00 0.00 N ATOM 1163 CA ASP A 89 -3.500 -16.267 -1.948 1.00 0.00 C ATOM 1164 C ASP A 89 -3.056 -17.018 -0.678 1.00 0.00 C ATOM 1165 O ASP A 89 -3.912 -17.406 0.102 1.00 0.00 O ATOM 1166 CB ASP A 89 -3.551 -17.299 -3.083 1.00 0.00 C ATOM 1167 CG ASP A 89 -4.392 -16.749 -4.236 1.00 0.00 C ATOM 1168 OD1 ASP A 89 -3.811 -16.032 -5.035 1.00 0.00 O ATOM 1169 OD2 ASP A 89 -5.566 -17.080 -4.256 1.00 0.00 O ATOM 0 H ASP A 89 -2.063 -15.390 -3.267 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.452 -15.793 -1.706 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -2.542 -17.524 -3.430 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -3.979 -18.233 -2.720 1.00 0.00 H new ATOM 1174 N THR A 90 -1.743 -17.136 -0.482 1.00 0.00 N ATOM 1175 CA THR A 90 -1.160 -17.867 0.729 1.00 0.00 C ATOM 1176 C THR A 90 -1.166 -17.005 2.008 1.00 0.00 C ATOM 1177 O THR A 90 -1.143 -17.574 3.099 1.00 0.00 O ATOM 1178 CB THR A 90 0.335 -18.247 0.418 1.00 0.00 C ATOM 1179 OG1 THR A 90 0.868 -17.152 -0.289 1.00 0.00 O ATOM 1180 CG2 THR A 90 0.521 -19.447 -0.565 1.00 0.00 C ATOM 0 H THR A 90 -1.041 -16.753 -1.115 1.00 0.00 H new ATOM 0 HA THR A 90 -1.783 -18.744 0.905 1.00 0.00 H new ATOM 0 HB THR A 90 0.797 -18.503 1.371 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.806 -17.331 -0.511 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.584 -19.632 -0.716 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.054 -20.338 -0.144 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.054 -19.210 -1.521 1.00 0.00 H new ATOM 1188 N ALA A 91 -1.272 -15.675 1.847 1.00 0.00 N ATOM 1189 CA ALA A 91 -1.283 -14.724 3.046 1.00 0.00 C ATOM 1190 C ALA A 91 -2.609 -14.896 3.917 1.00 0.00 C ATOM 1191 O ALA A 91 -3.590 -15.300 3.311 1.00 0.00 O ATOM 1192 CB ALA A 91 -1.247 -13.273 2.517 1.00 0.00 C ATOM 0 H ALA A 91 -1.351 -15.214 0.941 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.420 -14.951 3.672 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.254 -12.579 3.357 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.341 -13.122 1.930 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.120 -13.093 1.890 1.00 0.00 H new ATOM 1198 N PRO A 92 -2.688 -14.563 5.284 1.00 0.00 N ATOM 1199 CA PRO A 92 -3.969 -14.754 6.061 1.00 0.00 C ATOM 1200 C PRO A 92 -5.064 -13.728 5.721 1.00 0.00 C ATOM 1201 O PRO A 92 -6.209 -14.120 5.563 1.00 0.00 O ATOM 1202 CB PRO A 92 -3.566 -14.546 7.533 1.00 0.00 C ATOM 1203 CG PRO A 92 -2.262 -13.740 7.531 1.00 0.00 C ATOM 1204 CD PRO A 92 -1.607 -13.964 6.166 1.00 0.00 C ATOM 0 HA PRO A 92 -4.389 -15.733 5.829 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.348 -14.014 8.075 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.426 -15.504 8.034 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.462 -12.681 7.695 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -1.603 -14.068 8.335 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.238 -13.026 5.750 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.752 -14.635 6.248 1.00 0.00 H new ATOM 1212 N GLY A 93 -4.670 -12.452 5.596 1.00 0.00 N ATOM 1213 CA GLY A 93 -5.631 -11.343 5.273 1.00 0.00 C ATOM 1214 C GLY A 93 -6.042 -11.374 3.798 1.00 0.00 C ATOM 1215 O GLY A 93 -6.810 -12.233 3.394 1.00 0.00 O ATOM 0 H GLY A 93 -3.704 -12.146 5.709 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.517 -11.432 5.901 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.172 -10.382 5.504 1.00 0.00 H new ATOM 1219 N GLY A 94 -5.471 -10.446 3.047 1.00 0.00 N ATOM 1220 CA GLY A 94 -5.753 -10.316 1.574 1.00 0.00 C ATOM 1221 C GLY A 94 -5.286 -8.943 1.085 1.00 0.00 C ATOM 1222 O GLY A 94 -5.376 -7.977 1.827 1.00 0.00 O ATOM 0 H GLY A 94 -4.807 -9.760 3.406 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.239 -11.104 1.023 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.819 -10.438 1.385 1.00 0.00 H new ATOM 1226 N CYS A 95 -4.834 -8.907 -0.164 1.00 0.00 N ATOM 1227 CA CYS A 95 -4.337 -7.641 -0.810 1.00 0.00 C ATOM 1228 C CYS A 95 -5.507 -6.701 -1.164 1.00 0.00 C ATOM 1229 O CYS A 95 -6.642 -7.147 -1.245 1.00 0.00 O ATOM 1230 CB CYS A 95 -3.647 -8.056 -2.114 1.00 0.00 C ATOM 1231 SG CYS A 95 -2.455 -9.408 -2.018 1.00 0.00 S ATOM 0 H CYS A 95 -4.791 -9.726 -0.770 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.668 -7.115 -0.128 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.419 -8.335 -2.831 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -3.136 -7.183 -2.520 1.00 0.00 H new ATOM 1236 N GLU A 96 -5.187 -5.418 -1.327 1.00 0.00 N ATOM 1237 CA GLU A 96 -6.208 -4.352 -1.681 1.00 0.00 C ATOM 1238 C GLU A 96 -5.487 -3.107 -2.221 1.00 0.00 C ATOM 1239 O GLU A 96 -4.398 -2.809 -1.752 1.00 0.00 O ATOM 1240 CB GLU A 96 -7.113 -3.945 -0.441 1.00 0.00 C ATOM 1241 CG GLU A 96 -6.417 -3.933 0.940 1.00 0.00 C ATOM 1242 CD GLU A 96 -7.224 -3.034 1.877 1.00 0.00 C ATOM 1243 OE1 GLU A 96 -8.218 -3.531 2.380 1.00 0.00 O ATOM 1244 OE2 GLU A 96 -6.802 -1.901 2.037 1.00 0.00 O ATOM 0 H GLU A 96 -4.237 -5.061 -1.226 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.866 -4.771 -2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -7.522 -2.952 -0.627 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.957 -4.633 -0.393 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.356 -4.944 1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.395 -3.565 0.847 1.00 0.00 H new ATOM 1251 N ILE A 97 -6.150 -2.408 -3.158 1.00 0.00 N ATOM 1252 CA ILE A 97 -5.583 -1.162 -3.790 1.00 0.00 C ATOM 1253 C ILE A 97 -5.850 -0.055 -2.732 1.00 0.00 C ATOM 1254 O ILE A 97 -6.982 0.111 -2.303 1.00 0.00 O ATOM 1255 CB ILE A 97 -6.326 -0.832 -5.197 1.00 0.00 C ATOM 1256 CG1 ILE A 97 -6.752 -2.116 -6.091 1.00 0.00 C ATOM 1257 CG2 ILE A 97 -5.498 0.250 -6.071 1.00 0.00 C ATOM 1258 CD1 ILE A 97 -5.706 -3.269 -6.304 1.00 0.00 C ATOM 0 H ILE A 97 -7.074 -2.666 -3.505 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.525 -1.256 -4.036 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.276 -0.393 -4.894 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.640 -2.555 -5.636 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.046 -1.751 -7.075 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.026 0.445 -7.004 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.404 1.178 -5.507 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.505 -0.143 -6.291 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.147 -4.050 -6.923 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.821 -2.870 -6.799 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.424 -3.687 -5.338 1.00 0.00 H new ATOM 1270 N VAL A 98 -4.748 0.580 -2.283 1.00 0.00 N ATOM 1271 CA VAL A 98 -4.769 1.693 -1.247 1.00 0.00 C ATOM 1272 C VAL A 98 -4.323 2.971 -1.991 1.00 0.00 C ATOM 1273 O VAL A 98 -3.230 3.006 -2.535 1.00 0.00 O ATOM 1274 CB VAL A 98 -3.758 1.307 -0.038 1.00 0.00 C ATOM 1275 CG1 VAL A 98 -3.371 2.552 0.917 1.00 0.00 C ATOM 1276 CG2 VAL A 98 -4.349 0.102 0.840 1.00 0.00 C ATOM 0 H VAL A 98 -3.809 0.354 -2.612 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.753 1.844 -0.803 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.834 0.991 -0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.693 2.213 1.700 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.884 3.327 0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.275 2.957 1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.653 -0.138 1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.307 0.398 1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.489 -0.775 0.207 1.00 0.00 H new ATOM 1286 N VAL A 99 -5.230 3.943 -1.976 1.00 0.00 N ATOM 1287 CA VAL A 99 -5.072 5.315 -2.617 1.00 0.00 C ATOM 1288 C VAL A 99 -5.123 6.237 -1.381 1.00 0.00 C ATOM 1289 O VAL A 99 -6.005 6.046 -0.556 1.00 0.00 O ATOM 1290 CB VAL A 99 -6.323 5.582 -3.623 1.00 0.00 C ATOM 1291 CG1 VAL A 99 -6.546 7.137 -3.990 1.00 0.00 C ATOM 1292 CG2 VAL A 99 -6.171 4.715 -4.956 1.00 0.00 C ATOM 0 H VAL A 99 -6.132 3.830 -1.514 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.173 5.454 -3.217 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.213 5.267 -3.079 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.397 7.233 -4.664 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.739 7.702 -3.078 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.652 7.528 -4.476 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.018 4.909 -5.614 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.246 4.988 -5.464 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.145 3.656 -4.700 1.00 0.00 H new ATOM 1302 N GLY A 100 -4.194 7.185 -1.277 1.00 0.00 N ATOM 1303 CA GLY A 100 -4.179 8.130 -0.091 1.00 0.00 C ATOM 1304 C GLY A 100 -3.047 9.149 -0.218 1.00 0.00 C ATOM 1305 O GLY A 100 -1.937 8.776 -0.564 1.00 0.00 O ATOM 0 H GLY A 100 -3.452 7.342 -1.959 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.135 8.649 -0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.059 7.561 0.831 1.00 0.00 H new ATOM 1309 N GLY A 101 -3.372 10.403 0.126 1.00 0.00 N ATOM 1310 CA GLY A 101 -2.396 11.552 0.068 1.00 0.00 C ATOM 1311 C GLY A 101 -1.545 11.660 1.327 1.00 0.00 C ATOM 1312 O GLY A 101 -1.549 10.771 2.166 1.00 0.00 O ATOM 0 H GLY A 101 -4.301 10.670 0.451 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.745 11.428 -0.797 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -2.944 12.483 -0.077 1.00 0.00 H new ATOM 1316 N ASN A 102 -0.895 12.815 1.423 1.00 0.00 N ATOM 1317 CA ASN A 102 0.013 13.158 2.576 1.00 0.00 C ATOM 1318 C ASN A 102 -0.758 13.630 3.826 1.00 0.00 C ATOM 1319 O ASN A 102 -0.167 13.667 4.896 1.00 0.00 O ATOM 1320 CB ASN A 102 0.950 14.297 2.096 1.00 0.00 C ATOM 1321 CG ASN A 102 0.183 15.615 1.907 1.00 0.00 C ATOM 1322 OD1 ASN A 102 -0.584 15.776 0.977 1.00 0.00 O ATOM 1323 ND2 ASN A 102 0.370 16.586 2.760 1.00 0.00 N ATOM 0 H ASN A 102 -0.964 13.553 0.723 1.00 0.00 H new ATOM 0 HA ASN A 102 0.562 12.262 2.867 1.00 0.00 H new ATOM 0 HB2 ASN A 102 1.750 14.441 2.822 1.00 0.00 H new ATOM 0 HB3 ASN A 102 1.421 14.010 1.155 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -0.125 17.470 2.643 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.011 16.460 3.543 1.00 0.00 H new ATOM 1330 N THR A 103 -2.055 13.942 3.652 1.00 0.00 N ATOM 1331 CA THR A 103 -2.935 14.424 4.787 1.00 0.00 C ATOM 1332 C THR A 103 -3.232 13.295 5.801 1.00 0.00 C ATOM 1333 O THR A 103 -2.706 13.363 6.902 1.00 0.00 O ATOM 1334 CB THR A 103 -4.281 14.980 4.201 1.00 0.00 C ATOM 1335 OG1 THR A 103 -4.625 14.120 3.130 1.00 0.00 O ATOM 1336 CG2 THR A 103 -4.159 16.383 3.516 1.00 0.00 C ATOM 0 H THR A 103 -2.534 13.877 2.754 1.00 0.00 H new ATOM 0 HA THR A 103 -2.402 15.213 5.318 1.00 0.00 H new ATOM 0 HB THR A 103 -4.983 15.047 5.032 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.465 14.421 2.725 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.135 16.690 3.140 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.804 17.113 4.243 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.453 16.323 2.688 1.00 0.00 H new ATOM 1344 N GLY A 104 -4.012 12.275 5.406 1.00 0.00 N ATOM 1345 CA GLY A 104 -4.340 11.141 6.356 1.00 0.00 C ATOM 1346 C GLY A 104 -5.435 10.211 5.815 1.00 0.00 C ATOM 1347 O GLY A 104 -5.550 9.104 6.308 1.00 0.00 O ATOM 0 H GLY A 104 -4.425 12.190 4.477 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.438 10.560 6.547 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.661 11.555 7.312 1.00 0.00 H new ATOM 1351 N GLU A 105 -6.211 10.701 4.847 1.00 0.00 N ATOM 1352 CA GLU A 105 -7.340 9.895 4.218 1.00 0.00 C ATOM 1353 C GLU A 105 -6.815 8.672 3.442 1.00 0.00 C ATOM 1354 O GLU A 105 -5.770 8.769 2.828 1.00 0.00 O ATOM 1355 CB GLU A 105 -8.074 10.808 3.178 1.00 0.00 C ATOM 1356 CG GLU A 105 -9.057 11.851 3.797 1.00 0.00 C ATOM 1357 CD GLU A 105 -10.478 11.269 3.863 1.00 0.00 C ATOM 1358 OE1 GLU A 105 -10.750 10.611 4.853 1.00 0.00 O ATOM 1359 OE2 GLU A 105 -11.210 11.522 2.920 1.00 0.00 O ATOM 0 H GLU A 105 -6.106 11.640 4.462 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.993 9.556 5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.325 11.340 2.591 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.629 10.173 2.487 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.723 12.127 4.797 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.057 12.762 3.198 1.00 0.00 H new ATOM 1366 N TYR A 106 -7.598 7.578 3.525 1.00 0.00 N ATOM 1367 CA TYR A 106 -7.307 6.241 2.853 1.00 0.00 C ATOM 1368 C TYR A 106 -8.351 5.994 1.731 1.00 0.00 C ATOM 1369 O TYR A 106 -9.117 6.893 1.423 1.00 0.00 O ATOM 1370 CB TYR A 106 -7.455 5.136 3.948 1.00 0.00 C ATOM 1371 CG TYR A 106 -6.831 5.612 5.330 1.00 0.00 C ATOM 1372 CD1 TYR A 106 -5.432 5.616 5.526 1.00 0.00 C ATOM 1373 CD2 TYR A 106 -7.633 5.952 6.454 1.00 0.00 C ATOM 1374 CE1 TYR A 106 -4.888 5.922 6.757 1.00 0.00 C ATOM 1375 CE2 TYR A 106 -7.049 6.251 7.669 1.00 0.00 C ATOM 1376 CZ TYR A 106 -5.686 6.237 7.829 1.00 0.00 C ATOM 1377 OH TYR A 106 -5.123 6.535 9.053 1.00 0.00 O ATOM 0 H TYR A 106 -8.466 7.570 4.060 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.308 6.230 2.416 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.509 4.895 4.085 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -6.960 4.223 3.617 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -4.778 5.376 4.700 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.708 5.977 6.356 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -3.815 5.914 6.879 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -7.678 6.501 8.511 1.00 0.00 H new ATOM 0 HH TYR A 106 -5.832 6.736 9.699 1.00 0.00 H new ATOM 1387 N GLY A 107 -8.325 4.798 1.133 1.00 0.00 N ATOM 1388 CA GLY A 107 -9.287 4.426 0.030 1.00 0.00 C ATOM 1389 C GLY A 107 -9.123 2.940 -0.332 1.00 0.00 C ATOM 1390 O GLY A 107 -8.685 2.622 -1.426 1.00 0.00 O ATOM 0 H GLY A 107 -7.663 4.060 1.375 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.311 4.620 0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.103 5.045 -0.848 1.00 0.00 H new ATOM 1394 N ASN A 108 -9.498 2.093 0.626 1.00 0.00 N ATOM 1395 CA ASN A 108 -9.417 0.584 0.472 1.00 0.00 C ATOM 1396 C ASN A 108 -10.413 0.031 -0.573 1.00 0.00 C ATOM 1397 O ASN A 108 -11.476 0.608 -0.749 1.00 0.00 O ATOM 1398 CB ASN A 108 -9.745 -0.067 1.846 1.00 0.00 C ATOM 1399 CG ASN A 108 -11.038 0.499 2.460 1.00 0.00 C ATOM 1400 OD1 ASN A 108 -11.027 1.501 3.148 1.00 0.00 O ATOM 1401 ND2 ASN A 108 -12.168 -0.123 2.251 1.00 0.00 N ATOM 0 H ASN A 108 -9.865 2.395 1.528 1.00 0.00 H new ATOM 0 HA ASN A 108 -8.410 0.343 0.130 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -9.845 -1.145 1.721 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -8.915 0.099 2.533 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -13.030 0.233 2.664 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -12.188 -0.965 1.675 1.00 0.00 H new ATOM 1408 N ALA A 109 -10.000 -1.044 -1.279 1.00 0.00 N ATOM 1409 CA ALA A 109 -10.869 -1.712 -2.343 1.00 0.00 C ATOM 1410 C ALA A 109 -10.299 -3.118 -2.675 1.00 0.00 C ATOM 1411 O ALA A 109 -9.237 -3.222 -3.273 1.00 0.00 O ATOM 1412 CB ALA A 109 -10.893 -0.842 -3.634 1.00 0.00 C ATOM 0 H ALA A 109 -9.088 -1.483 -1.154 1.00 0.00 H new ATOM 0 HA ALA A 109 -11.885 -1.812 -1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.515 -1.326 -4.387 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -11.302 0.141 -3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -9.879 -0.732 -4.017 1.00 0.00 H new ATOM 1418 N ALA A 110 -11.038 -4.158 -2.253 1.00 0.00 N ATOM 1419 CA ALA A 110 -10.643 -5.609 -2.480 1.00 0.00 C ATOM 1420 C ALA A 110 -10.941 -6.097 -3.905 1.00 0.00 C ATOM 1421 O ALA A 110 -11.574 -5.387 -4.671 1.00 0.00 O ATOM 1422 CB ALA A 110 -11.488 -6.458 -1.514 1.00 0.00 C ATOM 0 H ALA A 110 -11.918 -4.048 -1.749 1.00 0.00 H new ATOM 0 HA ALA A 110 -9.569 -5.700 -2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.238 -7.511 -1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -11.279 -6.157 -0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -12.546 -6.308 -1.728 1.00 0.00 H new ATOM 1428 N ILE A 111 -10.420 -7.312 -4.183 1.00 0.00 N ATOM 1429 CA ILE A 111 -10.545 -8.063 -5.513 1.00 0.00 C ATOM 1430 C ILE A 111 -11.105 -9.484 -5.212 1.00 0.00 C ATOM 1431 O ILE A 111 -11.420 -9.757 -4.065 1.00 0.00 O ATOM 1432 CB ILE A 111 -9.104 -8.094 -6.282 1.00 0.00 C ATOM 1433 CG1 ILE A 111 -7.973 -9.144 -5.753 1.00 0.00 C ATOM 1434 CG2 ILE A 111 -8.502 -6.609 -6.448 1.00 0.00 C ATOM 1435 CD1 ILE A 111 -7.692 -9.234 -4.213 1.00 0.00 C ATOM 0 H ILE A 111 -9.883 -7.835 -3.492 1.00 0.00 H new ATOM 0 HA ILE A 111 -11.236 -7.558 -6.188 1.00 0.00 H new ATOM 0 HB ILE A 111 -9.364 -8.512 -7.255 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -8.259 -10.138 -6.096 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -7.034 -8.895 -6.247 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -7.543 -6.661 -6.963 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -9.194 -5.999 -7.029 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -8.362 -6.161 -5.464 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.916 -9.976 -4.028 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -7.360 -8.263 -3.846 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -8.605 -9.526 -3.693 1.00 0.00 H new ATOM 1447 N SER A 112 -11.260 -10.313 -6.259 1.00 0.00 N ATOM 1448 CA SER A 112 -11.788 -11.727 -6.119 1.00 0.00 C ATOM 1449 C SER A 112 -11.406 -12.539 -7.372 1.00 0.00 C ATOM 1450 O SER A 112 -11.811 -12.184 -8.456 1.00 0.00 O ATOM 1451 CB SER A 112 -13.326 -11.683 -6.007 1.00 0.00 C ATOM 1452 OG SER A 112 -13.710 -10.599 -6.838 1.00 0.00 O ATOM 0 H SER A 112 -11.034 -10.051 -7.219 1.00 0.00 H new ATOM 0 HA SER A 112 -11.360 -12.191 -5.230 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.776 -12.618 -6.341 1.00 0.00 H new ATOM 0 HB3 SER A 112 -13.645 -11.526 -4.977 1.00 0.00 H new ATOM 0 HG SER A 112 -13.263 -10.678 -7.706 1.00 0.00 H new ATOM 1458 N PHE A 113 -10.639 -13.616 -7.175 1.00 0.00 N ATOM 1459 CA PHE A 113 -10.188 -14.503 -8.323 1.00 0.00 C ATOM 1460 C PHE A 113 -11.340 -15.371 -8.835 1.00 0.00 C ATOM 1461 O PHE A 113 -12.303 -15.595 -8.114 1.00 0.00 O ATOM 1462 CB PHE A 113 -9.084 -15.462 -7.812 1.00 0.00 C ATOM 1463 CG PHE A 113 -8.102 -14.718 -6.803 1.00 0.00 C ATOM 1464 CD1 PHE A 113 -7.142 -13.792 -7.275 1.00 0.00 C ATOM 1465 CD2 PHE A 113 -8.137 -14.945 -5.398 1.00 0.00 C ATOM 1466 CE1 PHE A 113 -6.284 -13.156 -6.403 1.00 0.00 C ATOM 1467 CE2 PHE A 113 -7.260 -14.287 -4.559 1.00 0.00 C ATOM 1468 CZ PHE A 113 -6.343 -13.401 -5.058 1.00 0.00 C ATOM 0 H PHE A 113 -10.307 -13.916 -6.258 1.00 0.00 H new ATOM 0 HA PHE A 113 -9.828 -13.859 -9.126 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -9.542 -16.317 -7.315 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.516 -15.851 -8.657 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.080 -13.581 -8.332 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.855 -15.638 -4.985 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.556 -12.456 -6.786 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -7.298 -14.473 -3.496 1.00 0.00 H new ATOM 0 HZ PHE A 113 -5.664 -12.894 -4.388 1.00 0.00 H new ATOM 1478 N GLY A 114 -11.187 -15.827 -10.074 1.00 0.00 N ATOM 1479 CA GLY A 114 -12.215 -16.701 -10.755 1.00 0.00 C ATOM 1480 C GLY A 114 -12.271 -18.100 -10.124 1.00 0.00 C ATOM 1481 O GLY A 114 -11.213 -18.705 -10.056 1.00 0.00 O ATOM 1482 OXT GLY A 114 -13.367 -18.481 -9.748 1.00 0.00 O ATOM 0 H GLY A 114 -10.371 -15.622 -10.651 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -13.196 -16.231 -10.687 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -11.975 -16.788 -11.815 1.00 0.00 H new