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 Set 1.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 56 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 22 SER OG : rot -82:sc= 0.56 USER MOD Single : A 1 ALA N :NH3+ 137:sc= 0.0922 (180deg=0) USER MOD Single : A 2 SER OG : rot 40:sc= 0.543 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.00763 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 157:sc= 0.203 USER MOD Single : A 29 SER OG : rot 46:sc= 0.24 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0.231 X(o=0.23,f=0.26) USER MOD Single : A 48 ASN : amide:sc= -3.71! K(o=-3.7!,f=0.019) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 58 SER OG : rot -57:sc= 0.193 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0362 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 46:sc= 0.284 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 USER MOD Single : A 102 ASN : amide:sc= 0.00736 K(o=0.0074,f=-1.5!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.0534 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -19.303 9.581 4.117 1.00 0.00 N ATOM 2 CA ALA A 1 -18.700 9.360 2.777 1.00 0.00 C ATOM 3 C ALA A 1 -19.277 10.353 1.772 1.00 0.00 C ATOM 4 O ALA A 1 -20.359 10.872 1.990 1.00 0.00 O ATOM 5 CB ALA A 1 -19.015 7.939 2.292 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.536 8.664 4.548 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.626 10.087 4.723 1.00 0.00 H new ATOM 0 H3 ALA A 1 -20.170 10.148 4.019 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.622 9.498 2.856 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -18.570 7.783 1.309 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.604 7.215 2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -20.095 7.808 2.226 1.00 0.00 H new ATOM 13 N SER A 2 -18.503 10.594 0.713 1.00 0.00 N ATOM 14 CA SER A 2 -18.894 11.546 -0.397 1.00 0.00 C ATOM 15 C SER A 2 -18.014 11.302 -1.611 1.00 0.00 C ATOM 16 O SER A 2 -18.501 11.314 -2.732 1.00 0.00 O ATOM 17 CB SER A 2 -18.675 13.008 0.048 1.00 0.00 C ATOM 18 OG SER A 2 -19.919 13.408 0.603 1.00 0.00 O ATOM 0 H SER A 2 -17.593 10.155 0.575 1.00 0.00 H new ATOM 0 HA SER A 2 -19.944 11.377 -0.635 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.872 13.082 0.782 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.396 13.641 -0.795 1.00 0.00 H new ATOM 0 HG SER A 2 -20.294 12.672 1.129 1.00 0.00 H new ATOM 24 N ALA A 3 -16.747 11.085 -1.319 1.00 0.00 N ATOM 25 CA ALA A 3 -15.698 10.821 -2.369 1.00 0.00 C ATOM 26 C ALA A 3 -15.901 9.437 -3.031 1.00 0.00 C ATOM 27 O ALA A 3 -15.678 8.413 -2.396 1.00 0.00 O ATOM 28 CB ALA A 3 -14.324 10.866 -1.663 1.00 0.00 C ATOM 0 H ALA A 3 -16.385 11.080 -0.365 1.00 0.00 H new ATOM 0 HA ALA A 3 -15.765 11.571 -3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -13.535 10.679 -2.391 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -14.178 11.848 -1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -14.289 10.103 -0.886 1.00 0.00 H new ATOM 34 N ALA A 4 -16.331 9.464 -4.297 1.00 0.00 N ATOM 35 CA ALA A 4 -16.585 8.207 -5.092 1.00 0.00 C ATOM 36 C ALA A 4 -15.280 7.623 -5.642 1.00 0.00 C ATOM 37 O ALA A 4 -14.523 8.359 -6.258 1.00 0.00 O ATOM 38 CB ALA A 4 -17.456 8.579 -6.300 1.00 0.00 C ATOM 0 H ALA A 4 -16.516 10.325 -4.811 1.00 0.00 H new ATOM 0 HA ALA A 4 -17.062 7.476 -4.440 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -17.655 7.687 -6.893 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -18.399 9.002 -5.952 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.933 9.313 -6.913 1.00 0.00 H new ATOM 44 N VAL A 5 -15.058 6.325 -5.354 1.00 0.00 N ATOM 45 CA VAL A 5 -13.839 5.528 -5.791 1.00 0.00 C ATOM 46 C VAL A 5 -14.466 4.247 -6.374 1.00 0.00 C ATOM 47 O VAL A 5 -15.464 3.770 -5.848 1.00 0.00 O ATOM 48 CB VAL A 5 -12.853 5.133 -4.558 1.00 0.00 C ATOM 49 CG1 VAL A 5 -11.385 4.695 -5.058 1.00 0.00 C ATOM 50 CG2 VAL A 5 -12.749 6.302 -3.489 1.00 0.00 C ATOM 0 H VAL A 5 -15.715 5.771 -4.805 1.00 0.00 H new ATOM 0 HA VAL A 5 -13.215 6.097 -6.481 1.00 0.00 H new ATOM 0 HB VAL A 5 -13.307 4.267 -4.075 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.768 4.442 -4.196 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -11.467 3.827 -5.713 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.926 5.519 -5.604 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.082 5.999 -2.682 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.356 7.199 -3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.738 6.512 -3.082 1.00 0.00 H new ATOM 60 N SER A 6 -13.911 3.799 -7.494 1.00 0.00 N ATOM 61 CA SER A 6 -14.391 2.559 -8.204 1.00 0.00 C ATOM 62 C SER A 6 -13.324 2.070 -9.193 1.00 0.00 C ATOM 63 O SER A 6 -12.649 2.890 -9.793 1.00 0.00 O ATOM 64 CB SER A 6 -15.657 2.897 -9.016 1.00 0.00 C ATOM 65 OG SER A 6 -15.454 4.229 -9.465 1.00 0.00 O ATOM 0 H SER A 6 -13.124 4.258 -7.953 1.00 0.00 H new ATOM 0 HA SER A 6 -14.596 1.790 -7.459 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.784 2.212 -9.854 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.554 2.819 -8.402 1.00 0.00 H new ATOM 0 HG SER A 6 -16.226 4.516 -9.996 1.00 0.00 H new ATOM 71 N VAL A 7 -13.228 0.733 -9.293 1.00 0.00 N ATOM 72 CA VAL A 7 -12.261 -0.014 -10.195 1.00 0.00 C ATOM 73 C VAL A 7 -13.212 -0.833 -11.096 1.00 0.00 C ATOM 74 O VAL A 7 -14.272 -1.220 -10.624 1.00 0.00 O ATOM 75 CB VAL A 7 -11.310 -0.989 -9.313 1.00 0.00 C ATOM 76 CG1 VAL A 7 -10.039 -1.528 -10.138 1.00 0.00 C ATOM 77 CG2 VAL A 7 -10.844 -0.283 -7.957 1.00 0.00 C ATOM 0 H VAL A 7 -13.821 0.106 -8.749 1.00 0.00 H new ATOM 0 HA VAL A 7 -11.587 0.633 -10.756 1.00 0.00 H new ATOM 0 HB VAL A 7 -11.918 -1.857 -9.058 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.438 -2.175 -9.499 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.381 -2.092 -11.006 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -9.435 -0.683 -10.469 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -10.209 -0.965 -7.392 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -10.285 0.623 -8.192 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -11.720 -0.025 -7.361 1.00 0.00 H new ATOM 87 N SER A 8 -12.838 -0.996 -12.375 1.00 0.00 N ATOM 88 CA SER A 8 -13.675 -1.778 -13.380 1.00 0.00 C ATOM 89 C SER A 8 -12.772 -2.190 -14.640 1.00 0.00 C ATOM 90 O SER A 8 -12.326 -1.250 -15.290 1.00 0.00 O ATOM 91 CB SER A 8 -14.795 -0.814 -13.876 1.00 0.00 C ATOM 92 OG SER A 8 -15.192 -1.326 -15.142 1.00 0.00 O ATOM 0 H SER A 8 -11.976 -0.612 -12.763 1.00 0.00 H new ATOM 0 HA SER A 8 -14.081 -2.680 -12.922 1.00 0.00 H new ATOM 0 HB2 SER A 8 -15.633 -0.792 -13.179 1.00 0.00 H new ATOM 0 HB3 SER A 8 -14.426 0.208 -13.962 1.00 0.00 H new ATOM 0 HG SER A 8 -15.902 -0.763 -15.515 1.00 0.00 H new ATOM 98 N PRO A 9 -12.399 -3.521 -14.984 1.00 0.00 N ATOM 99 CA PRO A 9 -12.663 -4.833 -14.248 1.00 0.00 C ATOM 100 C PRO A 9 -11.985 -4.880 -12.866 1.00 0.00 C ATOM 101 O PRO A 9 -10.967 -4.230 -12.682 1.00 0.00 O ATOM 102 CB PRO A 9 -12.042 -5.934 -15.126 1.00 0.00 C ATOM 103 CG PRO A 9 -11.493 -5.283 -16.403 1.00 0.00 C ATOM 104 CD PRO A 9 -11.675 -3.769 -16.285 1.00 0.00 C ATOM 0 HA PRO A 9 -13.734 -4.952 -14.085 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.244 -6.444 -14.587 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.790 -6.687 -15.375 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.439 -5.530 -16.533 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.019 -5.662 -17.279 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.711 -3.261 -16.294 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.248 -3.381 -17.127 1.00 0.00 H new ATOM 112 N ALA A 10 -12.626 -5.625 -11.942 1.00 0.00 N ATOM 113 CA ALA A 10 -12.143 -5.814 -10.505 1.00 0.00 C ATOM 114 C ALA A 10 -12.286 -7.263 -10.020 1.00 0.00 C ATOM 115 O ALA A 10 -11.798 -7.559 -8.941 1.00 0.00 O ATOM 116 CB ALA A 10 -13.048 -4.965 -9.585 1.00 0.00 C ATOM 0 H ALA A 10 -13.493 -6.123 -12.143 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.092 -5.528 -10.474 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.726 -5.081 -8.550 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.977 -3.916 -9.872 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -14.081 -5.298 -9.683 1.00 0.00 H new ATOM 122 N THR A 11 -12.972 -8.104 -10.816 1.00 0.00 N ATOM 123 CA THR A 11 -13.210 -9.577 -10.484 1.00 0.00 C ATOM 124 C THR A 11 -12.912 -10.438 -11.717 1.00 0.00 C ATOM 125 O THR A 11 -13.003 -9.958 -12.838 1.00 0.00 O ATOM 126 CB THR A 11 -14.717 -9.817 -10.115 1.00 0.00 C ATOM 127 OG1 THR A 11 -15.441 -9.469 -11.280 1.00 0.00 O ATOM 128 CG2 THR A 11 -15.309 -8.866 -9.033 1.00 0.00 C ATOM 0 H THR A 11 -13.384 -7.816 -11.703 1.00 0.00 H new ATOM 0 HA THR A 11 -12.562 -9.842 -9.648 1.00 0.00 H new ATOM 0 HB THR A 11 -14.786 -10.840 -9.746 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.399 -9.598 -11.120 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.354 -9.121 -8.857 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.747 -8.976 -8.105 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.241 -7.834 -9.379 1.00 0.00 H new ATOM 136 N GLY A 12 -12.514 -11.682 -11.447 1.00 0.00 N ATOM 137 CA GLY A 12 -12.177 -12.686 -12.529 1.00 0.00 C ATOM 138 C GLY A 12 -10.852 -12.358 -13.230 1.00 0.00 C ATOM 139 O GLY A 12 -10.684 -12.697 -14.391 1.00 0.00 O ATOM 0 H GLY A 12 -12.409 -12.045 -10.499 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -12.118 -13.683 -12.092 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -12.980 -12.708 -13.265 1.00 0.00 H new ATOM 143 N LEU A 13 -9.953 -11.742 -12.472 1.00 0.00 N ATOM 144 CA LEU A 13 -8.590 -11.334 -12.978 1.00 0.00 C ATOM 145 C LEU A 13 -7.680 -12.572 -13.144 1.00 0.00 C ATOM 146 O LEU A 13 -7.903 -13.580 -12.491 1.00 0.00 O ATOM 147 CB LEU A 13 -7.915 -10.385 -11.901 1.00 0.00 C ATOM 148 CG LEU A 13 -8.753 -9.061 -11.402 1.00 0.00 C ATOM 149 CD1 LEU A 13 -7.845 -8.157 -10.435 1.00 0.00 C ATOM 150 CD2 LEU A 13 -9.351 -8.174 -12.591 1.00 0.00 C ATOM 0 H LEU A 13 -10.118 -11.500 -11.495 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.708 -10.833 -13.939 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.688 -10.987 -11.021 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.963 -10.043 -12.307 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.615 -9.445 -10.856 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.413 -7.284 -10.113 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.550 -8.740 -9.563 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.954 -7.832 -10.972 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.888 -7.322 -12.175 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.538 -7.817 -13.223 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.035 -8.778 -13.187 1.00 0.00 H new ATOM 162 N ALA A 14 -6.705 -12.415 -14.058 1.00 0.00 N ATOM 163 CA ALA A 14 -5.666 -13.453 -14.430 1.00 0.00 C ATOM 164 C ALA A 14 -4.287 -12.779 -14.386 1.00 0.00 C ATOM 165 O ALA A 14 -4.210 -11.635 -13.974 1.00 0.00 O ATOM 166 CB ALA A 14 -5.980 -13.915 -15.873 1.00 0.00 C ATOM 0 H ALA A 14 -6.596 -11.548 -14.585 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.676 -14.305 -13.750 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.252 -14.666 -16.181 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.981 -14.344 -15.908 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.928 -13.061 -16.548 1.00 0.00 H new ATOM 172 N ASP A 15 -3.247 -13.515 -14.779 1.00 0.00 N ATOM 173 CA ASP A 15 -1.829 -12.983 -14.788 1.00 0.00 C ATOM 174 C ASP A 15 -1.622 -11.850 -15.821 1.00 0.00 C ATOM 175 O ASP A 15 -1.964 -12.016 -16.983 1.00 0.00 O ATOM 176 CB ASP A 15 -0.910 -14.164 -15.165 1.00 0.00 C ATOM 177 CG ASP A 15 0.484 -13.661 -15.571 1.00 0.00 C ATOM 178 OD1 ASP A 15 1.160 -13.152 -14.690 1.00 0.00 O ATOM 179 OD2 ASP A 15 0.802 -13.831 -16.738 1.00 0.00 O ATOM 0 H ASP A 15 -3.330 -14.480 -15.099 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.605 -12.567 -13.806 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.823 -14.848 -14.320 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.352 -14.727 -15.987 1.00 0.00 H new ATOM 184 N GLY A 16 -1.086 -10.721 -15.339 1.00 0.00 N ATOM 185 CA GLY A 16 -0.808 -9.509 -16.201 1.00 0.00 C ATOM 186 C GLY A 16 -2.087 -8.799 -16.686 1.00 0.00 C ATOM 187 O GLY A 16 -2.050 -8.164 -17.729 1.00 0.00 O ATOM 0 H GLY A 16 -0.828 -10.598 -14.360 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.200 -8.802 -15.636 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.220 -9.815 -17.066 1.00 0.00 H new ATOM 191 N ALA A 17 -3.157 -8.912 -15.898 1.00 0.00 N ATOM 192 CA ALA A 17 -4.479 -8.271 -16.244 1.00 0.00 C ATOM 193 C ALA A 17 -4.447 -6.744 -16.074 1.00 0.00 C ATOM 194 O ALA A 17 -4.133 -6.265 -14.996 1.00 0.00 O ATOM 195 CB ALA A 17 -5.539 -8.812 -15.279 1.00 0.00 C ATOM 0 H ALA A 17 -3.161 -9.430 -15.020 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.699 -8.503 -17.286 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.505 -8.362 -15.510 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.608 -9.895 -15.384 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.259 -8.564 -14.255 1.00 0.00 H new ATOM 201 N THR A 18 -4.811 -6.040 -17.143 1.00 0.00 N ATOM 202 CA THR A 18 -4.839 -4.540 -17.153 1.00 0.00 C ATOM 203 C THR A 18 -6.129 -4.104 -16.438 1.00 0.00 C ATOM 204 O THR A 18 -7.164 -4.728 -16.647 1.00 0.00 O ATOM 205 CB THR A 18 -4.860 -4.113 -18.665 1.00 0.00 C ATOM 206 OG1 THR A 18 -3.888 -4.945 -19.265 1.00 0.00 O ATOM 207 CG2 THR A 18 -4.324 -2.677 -18.978 1.00 0.00 C ATOM 0 H THR A 18 -5.095 -6.465 -18.026 1.00 0.00 H new ATOM 0 HA THR A 18 -3.986 -4.085 -16.651 1.00 0.00 H new ATOM 0 HB THR A 18 -5.896 -4.170 -19.000 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.834 -4.746 -20.223 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.386 -2.491 -20.050 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.926 -1.940 -18.447 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.286 -2.598 -18.655 1.00 0.00 H new ATOM 215 N VAL A 19 -5.987 -3.111 -15.544 1.00 0.00 N ATOM 216 CA VAL A 19 -7.132 -2.525 -14.723 1.00 0.00 C ATOM 217 C VAL A 19 -7.028 -0.986 -14.771 1.00 0.00 C ATOM 218 O VAL A 19 -5.924 -0.461 -14.712 1.00 0.00 O ATOM 219 CB VAL A 19 -7.138 -3.098 -13.201 1.00 0.00 C ATOM 220 CG1 VAL A 19 -7.343 -4.683 -13.175 1.00 0.00 C ATOM 221 CG2 VAL A 19 -5.848 -2.678 -12.338 1.00 0.00 C ATOM 0 H VAL A 19 -5.087 -2.672 -15.349 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.086 -2.831 -15.153 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.992 -2.622 -12.719 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.342 -5.033 -12.143 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.295 -4.934 -13.643 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.532 -5.164 -13.722 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.928 -3.099 -11.336 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.948 -3.058 -12.821 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.793 -1.591 -12.272 1.00 0.00 H new ATOM 231 N THR A 20 -8.210 -0.344 -14.881 1.00 0.00 N ATOM 232 CA THR A 20 -8.376 1.160 -14.954 1.00 0.00 C ATOM 233 C THR A 20 -8.962 1.707 -13.630 1.00 0.00 C ATOM 234 O THR A 20 -10.162 1.621 -13.415 1.00 0.00 O ATOM 235 CB THR A 20 -9.366 1.376 -16.159 1.00 0.00 C ATOM 236 OG1 THR A 20 -8.575 1.083 -17.295 1.00 0.00 O ATOM 237 CG2 THR A 20 -9.847 2.840 -16.454 1.00 0.00 C ATOM 0 H THR A 20 -9.099 -0.843 -14.924 1.00 0.00 H new ATOM 0 HA THR A 20 -7.433 1.687 -15.099 1.00 0.00 H new ATOM 0 HB THR A 20 -10.252 0.784 -15.932 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.115 1.190 -18.106 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.523 2.836 -17.309 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.368 3.235 -15.582 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.985 3.468 -16.676 1.00 0.00 H new ATOM 245 N VAL A 21 -8.078 2.280 -12.805 1.00 0.00 N ATOM 246 CA VAL A 21 -8.470 2.876 -11.464 1.00 0.00 C ATOM 247 C VAL A 21 -9.056 4.254 -11.812 1.00 0.00 C ATOM 248 O VAL A 21 -8.627 4.845 -12.791 1.00 0.00 O ATOM 249 CB VAL A 21 -7.126 2.984 -10.553 1.00 0.00 C ATOM 250 CG1 VAL A 21 -7.237 4.006 -9.310 1.00 0.00 C ATOM 251 CG2 VAL A 21 -6.686 1.538 -10.040 1.00 0.00 C ATOM 0 H VAL A 21 -7.083 2.358 -13.016 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.194 2.289 -10.898 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.363 3.402 -11.209 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.296 4.013 -8.760 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.448 5.009 -9.681 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.042 3.687 -8.648 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.786 1.626 -9.432 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.487 1.105 -9.441 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.484 0.894 -10.896 1.00 0.00 H new ATOM 261 N SER A 22 -10.030 4.683 -10.998 1.00 0.00 N ATOM 262 CA SER A 22 -10.739 6.009 -11.158 1.00 0.00 C ATOM 263 C SER A 22 -10.913 6.660 -9.791 1.00 0.00 C ATOM 264 O SER A 22 -10.750 6.003 -8.773 1.00 0.00 O ATOM 265 CB SER A 22 -12.142 5.771 -11.759 1.00 0.00 C ATOM 266 OG SER A 22 -13.004 5.703 -10.635 1.00 0.00 O ATOM 0 H SER A 22 -10.366 4.139 -10.203 1.00 0.00 H new ATOM 0 HA SER A 22 -10.150 6.652 -11.812 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.429 6.581 -12.430 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.174 4.849 -12.340 1.00 0.00 H new ATOM 0 HG SER A 22 -12.965 4.804 -10.247 1.00 0.00 H new ATOM 272 N ALA A 23 -11.162 7.961 -9.835 1.00 0.00 N ATOM 273 CA ALA A 23 -11.370 8.804 -8.608 1.00 0.00 C ATOM 274 C ALA A 23 -12.101 10.078 -9.021 1.00 0.00 C ATOM 275 O ALA A 23 -11.914 10.526 -10.142 1.00 0.00 O ATOM 276 CB ALA A 23 -9.994 9.178 -8.017 1.00 0.00 C ATOM 0 H ALA A 23 -11.231 8.485 -10.707 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.951 8.259 -7.865 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.135 9.790 -7.126 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.453 8.270 -7.752 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.421 9.739 -8.755 1.00 0.00 H new ATOM 282 N SER A 24 -12.958 10.584 -8.125 1.00 0.00 N ATOM 283 CA SER A 24 -13.753 11.841 -8.393 1.00 0.00 C ATOM 284 C SER A 24 -14.236 12.439 -7.066 1.00 0.00 C ATOM 285 O SER A 24 -14.505 11.698 -6.133 1.00 0.00 O ATOM 286 CB SER A 24 -14.981 11.486 -9.259 1.00 0.00 C ATOM 287 OG SER A 24 -15.341 10.174 -8.857 1.00 0.00 O ATOM 0 H SER A 24 -13.134 10.165 -7.212 1.00 0.00 H new ATOM 0 HA SER A 24 -13.124 12.564 -8.912 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.798 12.188 -9.094 1.00 0.00 H new ATOM 0 HB3 SER A 24 -14.740 11.522 -10.321 1.00 0.00 H new ATOM 0 HG SER A 24 -16.123 9.878 -9.368 1.00 0.00 H new ATOM 293 N GLY A 25 -14.308 13.772 -7.031 1.00 0.00 N ATOM 294 CA GLY A 25 -14.761 14.532 -5.808 1.00 0.00 C ATOM 295 C GLY A 25 -13.699 14.493 -4.700 1.00 0.00 C ATOM 296 O GLY A 25 -13.734 13.608 -3.865 1.00 0.00 O ATOM 0 H GLY A 25 -14.064 14.369 -7.822 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.970 15.567 -6.078 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.693 14.105 -5.437 1.00 0.00 H new ATOM 300 N PHE A 26 -12.793 15.469 -4.758 1.00 0.00 N ATOM 301 CA PHE A 26 -11.657 15.629 -3.770 1.00 0.00 C ATOM 302 C PHE A 26 -11.254 17.112 -3.769 1.00 0.00 C ATOM 303 O PHE A 26 -11.489 17.791 -4.756 1.00 0.00 O ATOM 304 CB PHE A 26 -10.439 14.780 -4.264 1.00 0.00 C ATOM 305 CG PHE A 26 -10.475 13.269 -3.738 1.00 0.00 C ATOM 306 CD1 PHE A 26 -10.003 12.927 -2.442 1.00 0.00 C ATOM 307 CD2 PHE A 26 -10.900 12.189 -4.564 1.00 0.00 C ATOM 308 CE1 PHE A 26 -9.954 11.612 -2.028 1.00 0.00 C ATOM 309 CE2 PHE A 26 -10.835 10.887 -4.109 1.00 0.00 C ATOM 310 CZ PHE A 26 -10.367 10.602 -2.854 1.00 0.00 C ATOM 0 H PHE A 26 -12.801 16.187 -5.482 1.00 0.00 H new ATOM 0 HA PHE A 26 -11.956 15.303 -2.774 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -10.422 14.779 -5.354 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.515 15.253 -3.931 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.678 13.708 -1.771 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -11.277 12.391 -5.556 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -9.585 11.377 -1.040 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -11.158 10.082 -4.752 1.00 0.00 H new ATOM 0 HZ PHE A 26 -10.324 9.577 -2.515 1.00 0.00 H new ATOM 320 N ALA A 27 -10.712 17.575 -2.634 1.00 0.00 N ATOM 321 CA ALA A 27 -10.260 19.016 -2.464 1.00 0.00 C ATOM 322 C ALA A 27 -9.267 19.164 -1.288 1.00 0.00 C ATOM 323 O ALA A 27 -8.477 20.100 -1.288 1.00 0.00 O ATOM 324 CB ALA A 27 -11.513 19.887 -2.179 1.00 0.00 C ATOM 0 H ALA A 27 -10.565 16.997 -1.807 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.754 19.335 -3.375 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.212 20.927 -2.053 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.208 19.809 -3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.000 19.537 -1.268 1.00 0.00 H new ATOM 330 N THR A 28 -9.257 18.171 -0.396 1.00 0.00 N ATOM 331 CA THR A 28 -8.339 18.178 0.815 1.00 0.00 C ATOM 332 C THR A 28 -6.916 17.742 0.409 1.00 0.00 C ATOM 333 O THR A 28 -5.974 18.468 0.689 1.00 0.00 O ATOM 334 CB THR A 28 -8.886 17.152 1.865 1.00 0.00 C ATOM 335 OG1 THR A 28 -9.411 16.065 1.126 1.00 0.00 O ATOM 336 CG2 THR A 28 -10.112 17.648 2.693 1.00 0.00 C ATOM 0 H THR A 28 -9.855 17.347 -0.461 1.00 0.00 H new ATOM 0 HA THR A 28 -8.306 19.185 1.232 1.00 0.00 H new ATOM 0 HB THR A 28 -8.059 16.942 2.543 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.423 15.263 1.688 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.418 16.870 3.392 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.838 18.546 3.247 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.938 17.876 2.019 1.00 0.00 H new ATOM 344 N SER A 29 -6.813 16.584 -0.242 1.00 0.00 N ATOM 345 CA SER A 29 -5.480 16.023 -0.711 1.00 0.00 C ATOM 346 C SER A 29 -4.924 16.851 -1.898 1.00 0.00 C ATOM 347 O SER A 29 -5.649 17.080 -2.849 1.00 0.00 O ATOM 348 CB SER A 29 -5.732 14.581 -1.189 1.00 0.00 C ATOM 349 OG SER A 29 -6.949 14.633 -1.920 1.00 0.00 O ATOM 0 H SER A 29 -7.614 15.995 -0.471 1.00 0.00 H new ATOM 0 HA SER A 29 -4.757 16.058 0.104 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.913 14.226 -1.814 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.810 13.895 -0.345 1.00 0.00 H new ATOM 0 HG SER A 29 -6.935 15.405 -2.524 1.00 0.00 H new ATOM 355 N THR A 30 -3.652 17.265 -1.793 1.00 0.00 N ATOM 356 CA THR A 30 -2.947 18.093 -2.868 1.00 0.00 C ATOM 357 C THR A 30 -2.428 17.266 -4.069 1.00 0.00 C ATOM 358 O THR A 30 -2.318 17.785 -5.169 1.00 0.00 O ATOM 359 CB THR A 30 -1.771 18.883 -2.180 1.00 0.00 C ATOM 360 OG1 THR A 30 -1.205 19.663 -3.215 1.00 0.00 O ATOM 361 CG2 THR A 30 -0.547 18.054 -1.650 1.00 0.00 C ATOM 0 H THR A 30 -3.063 17.056 -0.987 1.00 0.00 H new ATOM 0 HA THR A 30 -3.682 18.773 -3.299 1.00 0.00 H new ATOM 0 HB THR A 30 -2.220 19.378 -1.319 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.459 20.189 -2.858 1.00 0.00 H new ATOM 0 HG21 THR A 30 0.183 18.729 -1.202 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.888 17.340 -0.901 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.085 17.518 -2.479 1.00 0.00 H new ATOM 369 N SER A 31 -2.114 16.011 -3.783 1.00 0.00 N ATOM 370 CA SER A 31 -1.576 14.988 -4.787 1.00 0.00 C ATOM 371 C SER A 31 -1.941 13.595 -4.268 1.00 0.00 C ATOM 372 O SER A 31 -2.449 13.499 -3.170 1.00 0.00 O ATOM 373 CB SER A 31 -0.019 15.055 -4.864 1.00 0.00 C ATOM 374 OG SER A 31 0.287 14.535 -6.151 1.00 0.00 O ATOM 0 H SER A 31 -2.212 15.627 -2.843 1.00 0.00 H new ATOM 0 HA SER A 31 -2.000 15.195 -5.770 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.342 16.077 -4.751 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.445 14.464 -4.075 1.00 0.00 H new ATOM 0 HG SER A 31 1.258 14.543 -6.285 1.00 0.00 H new ATOM 380 N ALA A 32 -1.698 12.560 -5.087 1.00 0.00 N ATOM 381 CA ALA A 32 -2.011 11.123 -4.698 1.00 0.00 C ATOM 382 C ALA A 32 -1.324 10.138 -5.656 1.00 0.00 C ATOM 383 O ALA A 32 -1.194 10.449 -6.831 1.00 0.00 O ATOM 384 CB ALA A 32 -3.540 10.881 -4.788 1.00 0.00 C ATOM 0 H ALA A 32 -1.291 12.660 -6.017 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.650 10.963 -3.682 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.762 9.851 -4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.056 11.560 -4.110 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.877 11.061 -5.809 1.00 0.00 H new ATOM 390 N THR A 33 -0.888 8.990 -5.079 1.00 0.00 N ATOM 391 CA THR A 33 -0.180 7.857 -5.809 1.00 0.00 C ATOM 392 C THR A 33 -0.931 6.543 -5.452 1.00 0.00 C ATOM 393 O THR A 33 -1.238 6.320 -4.286 1.00 0.00 O ATOM 394 CB THR A 33 1.309 7.803 -5.285 1.00 0.00 C ATOM 395 OG1 THR A 33 1.737 9.151 -5.272 1.00 0.00 O ATOM 396 CG2 THR A 33 2.349 7.133 -6.240 1.00 0.00 C ATOM 0 H THR A 33 -1.009 8.803 -4.084 1.00 0.00 H new ATOM 0 HA THR A 33 -0.175 7.997 -6.890 1.00 0.00 H new ATOM 0 HB THR A 33 1.284 7.244 -4.350 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.662 9.197 -4.953 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.335 7.153 -5.776 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.058 6.100 -6.428 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.381 7.678 -7.183 1.00 0.00 H new ATOM 404 N ALA A 34 -1.217 5.740 -6.489 1.00 0.00 N ATOM 405 CA ALA A 34 -1.946 4.413 -6.342 1.00 0.00 C ATOM 406 C ALA A 34 -0.934 3.266 -6.127 1.00 0.00 C ATOM 407 O ALA A 34 -0.197 2.936 -7.049 1.00 0.00 O ATOM 408 CB ALA A 34 -2.727 4.175 -7.660 1.00 0.00 C ATOM 0 H ALA A 34 -0.965 5.963 -7.452 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.617 4.438 -5.483 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.267 3.230 -7.598 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.436 4.988 -7.815 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.028 4.139 -8.496 1.00 0.00 H new ATOM 414 N LEU A 35 -0.891 2.756 -4.879 1.00 0.00 N ATOM 415 CA LEU A 35 0.036 1.619 -4.452 1.00 0.00 C ATOM 416 C LEU A 35 -0.780 0.443 -3.869 1.00 0.00 C ATOM 417 O LEU A 35 -1.791 0.677 -3.221 1.00 0.00 O ATOM 418 CB LEU A 35 0.917 2.159 -3.269 1.00 0.00 C ATOM 419 CG LEU A 35 2.153 3.124 -3.712 1.00 0.00 C ATOM 420 CD1 LEU A 35 2.417 4.262 -2.622 1.00 0.00 C ATOM 421 CD2 LEU A 35 3.494 2.306 -4.027 1.00 0.00 C ATOM 0 H LEU A 35 -1.483 3.099 -4.123 1.00 0.00 H new ATOM 0 HA LEU A 35 0.617 1.288 -5.313 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.276 2.709 -2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.320 1.309 -2.719 1.00 0.00 H new ATOM 0 HG LEU A 35 1.853 3.604 -4.643 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.247 4.890 -2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.522 4.873 -2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.662 3.800 -1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.284 2.999 -4.317 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.802 1.756 -3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.310 1.605 -4.841 1.00 0.00 H new ATOM 433 N GLN A 36 -0.288 -0.779 -4.157 1.00 0.00 N ATOM 434 CA GLN A 36 -0.886 -2.096 -3.706 1.00 0.00 C ATOM 435 C GLN A 36 0.148 -2.676 -2.727 1.00 0.00 C ATOM 436 O GLN A 36 1.330 -2.476 -2.961 1.00 0.00 O ATOM 437 CB GLN A 36 -0.991 -2.974 -5.013 1.00 0.00 C ATOM 438 CG GLN A 36 -1.482 -4.456 -4.830 1.00 0.00 C ATOM 439 CD GLN A 36 -0.291 -5.427 -4.874 1.00 0.00 C ATOM 440 OE1 GLN A 36 0.319 -5.731 -3.870 1.00 0.00 O ATOM 441 NE2 GLN A 36 0.060 -5.941 -6.018 1.00 0.00 N ATOM 0 H GLN A 36 0.553 -0.903 -4.720 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.864 -2.033 -3.228 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.668 -2.474 -5.705 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -0.010 -2.997 -5.487 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.006 -4.557 -3.880 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.194 -4.709 -5.615 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.447 -5.691 -6.867 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.842 -6.594 -6.065 1.00 0.00 H new ATOM 450 N CYS A 37 -0.324 -3.303 -1.633 1.00 0.00 N ATOM 451 CA CYS A 37 0.592 -3.928 -0.578 1.00 0.00 C ATOM 452 C CYS A 37 -0.064 -5.192 0.026 1.00 0.00 C ATOM 453 O CYS A 37 -1.253 -5.178 0.308 1.00 0.00 O ATOM 454 CB CYS A 37 0.879 -2.913 0.577 1.00 0.00 C ATOM 455 SG CYS A 37 1.714 -1.333 0.203 1.00 0.00 S ATOM 0 H CYS A 37 -1.318 -3.406 -1.430 1.00 0.00 H new ATOM 0 HA CYS A 37 1.528 -4.196 -1.068 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.076 -2.674 1.046 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.480 -3.431 1.324 1.00 0.00 H new ATOM 460 N ALA A 38 0.766 -6.238 0.212 1.00 0.00 N ATOM 461 CA ALA A 38 0.329 -7.575 0.788 1.00 0.00 C ATOM 462 C ALA A 38 0.452 -7.605 2.325 1.00 0.00 C ATOM 463 O ALA A 38 1.552 -7.456 2.834 1.00 0.00 O ATOM 464 CB ALA A 38 1.272 -8.650 0.197 1.00 0.00 C ATOM 0 H ALA A 38 1.758 -6.205 -0.024 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.717 -7.752 0.536 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.994 -9.630 0.584 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.186 -8.652 -0.890 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.301 -8.426 0.479 1.00 0.00 H new ATOM 470 N ILE A 39 -0.692 -7.795 3.009 1.00 0.00 N ATOM 471 CA ILE A 39 -0.744 -7.853 4.532 1.00 0.00 C ATOM 472 C ILE A 39 -0.323 -9.294 4.933 1.00 0.00 C ATOM 473 O ILE A 39 -0.952 -10.239 4.497 1.00 0.00 O ATOM 474 CB ILE A 39 -2.255 -7.498 5.033 1.00 0.00 C ATOM 475 CG1 ILE A 39 -2.713 -5.986 4.662 1.00 0.00 C ATOM 476 CG2 ILE A 39 -2.514 -7.854 6.602 1.00 0.00 C ATOM 477 CD1 ILE A 39 -2.211 -4.805 5.576 1.00 0.00 C ATOM 0 H ILE A 39 -1.600 -7.913 2.560 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.075 -7.130 4.999 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.904 -8.161 4.462 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.384 -5.780 3.643 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.803 -5.961 4.656 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.538 -7.593 6.870 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.357 -8.920 6.764 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.821 -7.287 7.223 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.602 -3.861 5.197 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.562 -4.960 6.596 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.121 -4.776 5.567 1.00 0.00 H new ATOM 489 N LEU A 40 0.721 -9.382 5.763 1.00 0.00 N ATOM 490 CA LEU A 40 1.294 -10.693 6.284 1.00 0.00 C ATOM 491 C LEU A 40 0.694 -10.916 7.691 1.00 0.00 C ATOM 492 O LEU A 40 -0.116 -10.106 8.117 1.00 0.00 O ATOM 493 CB LEU A 40 2.866 -10.547 6.431 1.00 0.00 C ATOM 494 CG LEU A 40 3.689 -9.904 5.180 1.00 0.00 C ATOM 495 CD1 LEU A 40 5.266 -9.971 5.457 1.00 0.00 C ATOM 496 CD2 LEU A 40 3.338 -10.571 3.765 1.00 0.00 C ATOM 0 H LEU A 40 1.216 -8.561 6.112 1.00 0.00 H new ATOM 0 HA LEU A 40 1.063 -11.518 5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.065 -9.937 7.312 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.277 -11.537 6.629 1.00 0.00 H new ATOM 0 HG LEU A 40 3.372 -8.864 5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.802 -9.538 4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.501 -9.411 6.362 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.569 -11.010 5.585 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.924 -10.091 2.981 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.574 -11.635 3.795 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.276 -10.441 3.555 1.00 0.00 H new ATOM 508 N ALA A 41 1.105 -12.003 8.352 1.00 0.00 N ATOM 509 CA ALA A 41 0.612 -12.358 9.737 1.00 0.00 C ATOM 510 C ALA A 41 1.096 -11.358 10.795 1.00 0.00 C ATOM 511 O ALA A 41 0.300 -10.908 11.604 1.00 0.00 O ATOM 512 CB ALA A 41 1.176 -13.742 10.098 1.00 0.00 C ATOM 0 H ALA A 41 1.778 -12.668 7.971 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.478 -12.343 9.728 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.836 -14.025 11.094 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.827 -14.477 9.373 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.265 -13.706 10.083 1.00 0.00 H new ATOM 518 N ASP A 42 2.387 -11.007 10.706 1.00 0.00 N ATOM 519 CA ASP A 42 3.040 -10.024 11.671 1.00 0.00 C ATOM 520 C ASP A 42 2.575 -8.557 11.415 1.00 0.00 C ATOM 521 O ASP A 42 2.703 -7.719 12.299 1.00 0.00 O ATOM 522 CB ASP A 42 4.595 -10.157 11.579 1.00 0.00 C ATOM 523 CG ASP A 42 5.085 -10.399 10.149 1.00 0.00 C ATOM 524 OD1 ASP A 42 4.929 -9.497 9.360 1.00 0.00 O ATOM 525 OD2 ASP A 42 5.591 -11.488 9.932 1.00 0.00 O ATOM 0 H ASP A 42 3.020 -11.369 9.993 1.00 0.00 H new ATOM 0 HA ASP A 42 2.723 -10.273 12.684 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.057 -9.249 11.968 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.923 -10.979 12.215 1.00 0.00 H new ATOM 530 N GLY A 43 2.033 -8.308 10.208 1.00 0.00 N ATOM 531 CA GLY A 43 1.517 -6.946 9.785 1.00 0.00 C ATOM 532 C GLY A 43 2.566 -5.981 9.203 1.00 0.00 C ATOM 533 O GLY A 43 2.217 -4.820 9.032 1.00 0.00 O ATOM 0 H GLY A 43 1.931 -9.023 9.488 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.733 -7.091 9.042 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.053 -6.470 10.649 1.00 0.00 H new ATOM 537 N ARG A 44 3.793 -6.463 8.920 1.00 0.00 N ATOM 538 CA ARG A 44 4.885 -5.568 8.334 1.00 0.00 C ATOM 539 C ARG A 44 4.511 -5.245 6.868 1.00 0.00 C ATOM 540 O ARG A 44 4.092 -6.126 6.132 1.00 0.00 O ATOM 541 CB ARG A 44 6.268 -6.313 8.341 1.00 0.00 C ATOM 542 CG ARG A 44 6.883 -6.500 9.802 1.00 0.00 C ATOM 543 CD ARG A 44 8.340 -7.062 9.798 1.00 0.00 C ATOM 544 NE ARG A 44 9.295 -5.940 9.564 1.00 0.00 N ATOM 545 CZ ARG A 44 10.211 -5.677 10.457 1.00 0.00 C ATOM 546 NH1 ARG A 44 11.323 -6.360 10.442 1.00 0.00 N ATOM 547 NH2 ARG A 44 9.983 -4.737 11.333 1.00 0.00 N ATOM 0 H ARG A 44 4.075 -7.431 9.071 1.00 0.00 H new ATOM 0 HA ARG A 44 4.966 -4.660 8.931 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.146 -7.292 7.878 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.975 -5.756 7.726 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.874 -5.539 10.317 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.244 -7.174 10.373 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.558 -7.549 10.748 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.450 -7.818 9.020 1.00 0.00 H new ATOM 0 HE ARG A 44 9.233 -5.382 8.712 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.466 -7.086 9.740 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.049 -6.168 11.132 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.102 -4.223 11.312 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.686 -4.516 12.039 1.00 0.00 H new ATOM 561 N GLY A 45 4.693 -3.988 6.499 1.00 0.00 N ATOM 562 CA GLY A 45 4.371 -3.491 5.110 1.00 0.00 C ATOM 563 C GLY A 45 5.315 -3.973 3.993 1.00 0.00 C ATOM 564 O GLY A 45 6.426 -3.476 3.913 1.00 0.00 O ATOM 0 H GLY A 45 5.061 -3.268 7.121 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.356 -3.799 4.860 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.380 -2.401 5.123 1.00 0.00 H new ATOM 568 N ALA A 46 4.806 -4.914 3.169 1.00 0.00 N ATOM 569 CA ALA A 46 5.555 -5.522 1.994 1.00 0.00 C ATOM 570 C ALA A 46 4.870 -4.979 0.740 1.00 0.00 C ATOM 571 O ALA A 46 3.730 -5.336 0.498 1.00 0.00 O ATOM 572 CB ALA A 46 5.410 -7.060 2.046 1.00 0.00 C ATOM 0 H ALA A 46 3.864 -5.289 3.281 1.00 0.00 H new ATOM 0 HA ALA A 46 6.617 -5.276 2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.944 -7.504 1.206 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.828 -7.433 2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.355 -7.328 1.987 1.00 0.00 H new ATOM 578 N CYS A 47 5.549 -4.029 0.048 1.00 0.00 N ATOM 579 CA CYS A 47 5.004 -3.380 -1.221 1.00 0.00 C ATOM 580 C CYS A 47 6.088 -3.299 -2.302 1.00 0.00 C ATOM 581 O CYS A 47 7.249 -3.082 -1.989 1.00 0.00 O ATOM 582 CB CYS A 47 4.504 -1.931 -0.895 1.00 0.00 C ATOM 583 SG CYS A 47 3.655 -1.611 0.687 1.00 0.00 S ATOM 0 H CYS A 47 6.467 -3.683 0.326 1.00 0.00 H new ATOM 0 HA CYS A 47 4.180 -3.990 -1.591 1.00 0.00 H new ATOM 0 HB2 CYS A 47 5.368 -1.269 -0.942 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.828 -1.630 -1.696 1.00 0.00 H new ATOM 588 N ASN A 48 5.645 -3.494 -3.551 1.00 0.00 N ATOM 589 CA ASN A 48 6.543 -3.459 -4.763 1.00 0.00 C ATOM 590 C ASN A 48 6.729 -2.002 -5.237 1.00 0.00 C ATOM 591 O ASN A 48 5.771 -1.238 -5.205 1.00 0.00 O ATOM 592 CB ASN A 48 5.835 -4.295 -5.846 1.00 0.00 C ATOM 593 CG ASN A 48 6.745 -4.471 -7.064 1.00 0.00 C ATOM 594 OD1 ASN A 48 7.627 -5.309 -7.086 1.00 0.00 O ATOM 595 ND2 ASN A 48 6.553 -3.718 -8.106 1.00 0.00 N ATOM 0 H ASN A 48 4.667 -3.680 -3.772 1.00 0.00 H new ATOM 0 HA ASN A 48 7.533 -3.860 -4.544 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.564 -5.271 -5.442 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.908 -3.805 -6.144 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.139 -3.832 -8.933 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.816 -3.013 -8.097 1.00 0.00 H new ATOM 602 N VAL A 49 7.964 -1.688 -5.661 1.00 0.00 N ATOM 603 CA VAL A 49 8.367 -0.300 -6.165 1.00 0.00 C ATOM 604 C VAL A 49 8.184 -0.083 -7.695 1.00 0.00 C ATOM 605 O VAL A 49 7.980 1.043 -8.095 1.00 0.00 O ATOM 606 CB VAL A 49 9.912 -0.015 -5.748 1.00 0.00 C ATOM 607 CG1 VAL A 49 10.019 0.509 -4.241 1.00 0.00 C ATOM 608 CG2 VAL A 49 10.888 -1.266 -5.994 1.00 0.00 C ATOM 0 H VAL A 49 8.730 -2.361 -5.677 1.00 0.00 H new ATOM 0 HA VAL A 49 7.687 0.407 -5.690 1.00 0.00 H new ATOM 0 HB VAL A 49 10.258 0.773 -6.417 1.00 0.00 H new ATOM 0 HG11 VAL A 49 11.065 0.690 -3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.455 1.436 -4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.610 -0.242 -3.565 1.00 0.00 H new ATOM 0 HG21 VAL A 49 11.902 -1.001 -5.693 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.545 -2.117 -5.405 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.881 -1.530 -7.051 1.00 0.00 H new ATOM 618 N ALA A 50 8.209 -1.157 -8.476 1.00 0.00 N ATOM 619 CA ALA A 50 8.049 -1.066 -9.995 1.00 0.00 C ATOM 620 C ALA A 50 6.606 -0.868 -10.517 1.00 0.00 C ATOM 621 O ALA A 50 6.455 -0.336 -11.605 1.00 0.00 O ATOM 622 CB ALA A 50 8.558 -2.392 -10.594 1.00 0.00 C ATOM 0 H ALA A 50 8.335 -2.107 -8.126 1.00 0.00 H new ATOM 0 HA ALA A 50 8.607 -0.179 -10.294 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.459 -2.363 -11.679 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.606 -2.532 -10.329 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.970 -3.220 -10.198 1.00 0.00 H new ATOM 628 N GLU A 51 5.603 -1.244 -9.712 1.00 0.00 N ATOM 629 CA GLU A 51 4.116 -1.117 -10.105 1.00 0.00 C ATOM 630 C GLU A 51 3.516 0.310 -9.897 1.00 0.00 C ATOM 631 O GLU A 51 2.379 0.552 -10.298 1.00 0.00 O ATOM 632 CB GLU A 51 3.327 -2.172 -9.211 1.00 0.00 C ATOM 633 CG GLU A 51 3.377 -3.640 -9.773 1.00 0.00 C ATOM 634 CD GLU A 51 3.046 -4.643 -8.655 1.00 0.00 C ATOM 635 OE1 GLU A 51 1.942 -4.562 -8.143 1.00 0.00 O ATOM 636 OE2 GLU A 51 3.920 -5.448 -8.385 1.00 0.00 O ATOM 0 H GLU A 51 5.750 -1.640 -8.784 1.00 0.00 H new ATOM 0 HA GLU A 51 4.022 -1.307 -11.174 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.743 -2.164 -8.203 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.286 -1.859 -9.129 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.667 -3.749 -10.592 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.367 -3.849 -10.179 1.00 0.00 H new ATOM 643 N PHE A 52 4.327 1.229 -9.384 1.00 0.00 N ATOM 644 CA PHE A 52 3.879 2.668 -9.119 1.00 0.00 C ATOM 645 C PHE A 52 3.483 3.479 -10.381 1.00 0.00 C ATOM 646 O PHE A 52 3.858 3.119 -11.487 1.00 0.00 O ATOM 647 CB PHE A 52 5.029 3.403 -8.360 1.00 0.00 C ATOM 648 CG PHE A 52 6.026 4.221 -9.316 1.00 0.00 C ATOM 649 CD1 PHE A 52 6.948 3.547 -10.165 1.00 0.00 C ATOM 650 CD2 PHE A 52 6.118 5.644 -9.285 1.00 0.00 C ATOM 651 CE1 PHE A 52 7.884 4.248 -10.898 1.00 0.00 C ATOM 652 CE2 PHE A 52 7.069 6.304 -10.036 1.00 0.00 C ATOM 653 CZ PHE A 52 7.942 5.613 -10.834 1.00 0.00 C ATOM 0 H PHE A 52 5.298 1.044 -9.132 1.00 0.00 H new ATOM 0 HA PHE A 52 2.965 2.605 -8.528 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.591 4.090 -7.636 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.604 2.669 -7.795 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.915 2.470 -10.237 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.437 6.211 -8.668 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.578 3.713 -11.529 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.126 7.382 -9.994 1.00 0.00 H new ATOM 0 HZ PHE A 52 8.679 6.148 -11.415 1.00 0.00 H new ATOM 663 N HIS A 53 2.721 4.542 -10.123 1.00 0.00 N ATOM 664 CA HIS A 53 2.203 5.495 -11.171 1.00 0.00 C ATOM 665 C HIS A 53 2.008 6.845 -10.472 1.00 0.00 C ATOM 666 O HIS A 53 1.332 6.885 -9.454 1.00 0.00 O ATOM 667 CB HIS A 53 0.840 4.993 -11.701 1.00 0.00 C ATOM 668 CG HIS A 53 1.030 4.287 -13.057 1.00 0.00 C ATOM 669 ND1 HIS A 53 1.025 4.895 -14.182 1.00 0.00 N ATOM 670 CD2 HIS A 53 1.213 2.945 -13.359 1.00 0.00 C ATOM 671 CE1 HIS A 53 1.190 4.030 -15.121 1.00 0.00 C ATOM 672 NE2 HIS A 53 1.314 2.794 -14.678 1.00 0.00 N ATOM 0 H HIS A 53 2.429 4.790 -9.178 1.00 0.00 H new ATOM 0 HA HIS A 53 2.894 5.574 -12.010 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.392 4.306 -10.983 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.152 5.831 -11.811 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.265 2.145 -12.635 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.224 4.291 -16.168 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.453 1.936 -15.212 1.00 0.00 H new ATOM 679 N ASP A 54 2.595 7.889 -11.070 1.00 0.00 N ATOM 680 CA ASP A 54 2.535 9.316 -10.539 1.00 0.00 C ATOM 681 C ASP A 54 1.579 10.191 -11.357 1.00 0.00 C ATOM 682 O ASP A 54 1.535 10.081 -12.574 1.00 0.00 O ATOM 683 CB ASP A 54 3.959 9.936 -10.609 1.00 0.00 C ATOM 684 CG ASP A 54 4.666 9.637 -11.943 1.00 0.00 C ATOM 685 OD1 ASP A 54 4.472 10.430 -12.850 1.00 0.00 O ATOM 686 OD2 ASP A 54 5.367 8.638 -11.975 1.00 0.00 O ATOM 0 H ASP A 54 3.130 7.801 -11.934 1.00 0.00 H new ATOM 0 HA ASP A 54 2.168 9.279 -9.513 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.889 11.015 -10.472 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.561 9.549 -9.787 1.00 0.00 H new ATOM 691 N PHE A 55 0.781 10.988 -10.633 1.00 0.00 N ATOM 692 CA PHE A 55 -0.234 11.934 -11.236 1.00 0.00 C ATOM 693 C PHE A 55 -0.572 12.996 -10.178 1.00 0.00 C ATOM 694 O PHE A 55 -0.423 12.716 -8.998 1.00 0.00 O ATOM 695 CB PHE A 55 -1.560 11.178 -11.671 1.00 0.00 C ATOM 696 CG PHE A 55 -2.264 10.392 -10.461 1.00 0.00 C ATOM 697 CD1 PHE A 55 -1.891 9.069 -10.112 1.00 0.00 C ATOM 698 CD2 PHE A 55 -3.353 10.948 -9.733 1.00 0.00 C ATOM 699 CE1 PHE A 55 -2.567 8.380 -9.127 1.00 0.00 C ATOM 700 CE2 PHE A 55 -4.004 10.224 -8.760 1.00 0.00 C ATOM 701 CZ PHE A 55 -3.612 8.952 -8.459 1.00 0.00 C ATOM 0 H PHE A 55 0.802 11.013 -9.614 1.00 0.00 H new ATOM 0 HA PHE A 55 0.190 12.387 -12.132 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.264 11.900 -12.085 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -1.324 10.471 -12.466 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.067 8.595 -10.624 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.675 11.956 -9.948 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.265 7.373 -8.880 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.834 10.667 -8.229 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.129 8.396 -7.691 1.00 0.00 H new ATOM 711 N SER A 56 -1.000 14.169 -10.659 1.00 0.00 N ATOM 712 CA SER A 56 -1.393 15.360 -9.804 1.00 0.00 C ATOM 713 C SER A 56 -2.792 15.801 -10.216 1.00 0.00 C ATOM 714 O SER A 56 -3.109 15.721 -11.392 1.00 0.00 O ATOM 715 CB SER A 56 -0.418 16.506 -10.113 1.00 0.00 C ATOM 716 OG SER A 56 0.757 16.166 -9.391 1.00 0.00 O ATOM 0 H SER A 56 -1.094 14.348 -11.659 1.00 0.00 H new ATOM 0 HA SER A 56 -1.368 15.103 -8.745 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.220 16.584 -11.182 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.819 17.468 -9.792 1.00 0.00 H new ATOM 0 HG SER A 56 1.440 16.853 -9.536 1.00 0.00 H new ATOM 722 N LEU A 57 -3.559 16.312 -9.248 1.00 0.00 N ATOM 723 CA LEU A 57 -4.970 16.785 -9.515 1.00 0.00 C ATOM 724 C LEU A 57 -4.915 18.178 -10.151 1.00 0.00 C ATOM 725 O LEU A 57 -3.945 18.898 -9.952 1.00 0.00 O ATOM 726 CB LEU A 57 -5.778 16.920 -8.158 1.00 0.00 C ATOM 727 CG LEU A 57 -5.675 15.694 -7.074 1.00 0.00 C ATOM 728 CD1 LEU A 57 -6.725 15.896 -5.885 1.00 0.00 C ATOM 729 CD2 LEU A 57 -5.845 14.232 -7.713 1.00 0.00 C ATOM 0 H LEU A 57 -3.256 16.418 -8.280 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.457 16.063 -10.170 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.447 17.833 -7.662 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.830 17.057 -8.408 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.658 15.740 -6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.638 15.070 -5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.518 16.836 -5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.736 15.920 -6.292 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.764 13.480 -6.928 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.822 14.155 -8.190 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.065 14.067 -8.456 1.00 0.00 H new ATOM 741 N SER A 58 -5.939 18.459 -10.979 1.00 0.00 N ATOM 742 CA SER A 58 -6.101 19.781 -11.727 1.00 0.00 C ATOM 743 C SER A 58 -7.602 20.103 -11.915 1.00 0.00 C ATOM 744 O SER A 58 -7.947 21.059 -12.599 1.00 0.00 O ATOM 745 CB SER A 58 -5.440 19.670 -13.138 1.00 0.00 C ATOM 746 OG SER A 58 -5.199 21.017 -13.525 1.00 0.00 O ATOM 0 H SER A 58 -6.691 17.796 -11.168 1.00 0.00 H new ATOM 0 HA SER A 58 -5.623 20.570 -11.147 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.514 19.097 -13.098 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.098 19.165 -13.846 1.00 0.00 H new ATOM 0 HG SER A 58 -6.041 21.518 -13.509 1.00 0.00 H new ATOM 752 N GLY A 59 -8.449 19.309 -11.269 1.00 0.00 N ATOM 753 CA GLY A 59 -9.944 19.497 -11.352 1.00 0.00 C ATOM 754 C GLY A 59 -10.670 18.488 -10.448 1.00 0.00 C ATOM 755 O GLY A 59 -11.826 18.188 -10.691 1.00 0.00 O ATOM 0 H GLY A 59 -8.157 18.529 -10.680 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.205 20.513 -11.054 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.274 19.372 -12.383 1.00 0.00 H new ATOM 759 N GLY A 60 -9.953 17.989 -9.441 1.00 0.00 N ATOM 760 CA GLY A 60 -10.507 16.988 -8.453 1.00 0.00 C ATOM 761 C GLY A 60 -10.639 15.551 -9.007 1.00 0.00 C ATOM 762 O GLY A 60 -11.307 14.763 -8.369 1.00 0.00 O ATOM 0 H GLY A 60 -8.982 18.246 -9.265 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.862 16.968 -7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.488 17.328 -8.121 1.00 0.00 H new ATOM 766 N GLU A 61 -10.001 15.271 -10.165 1.00 0.00 N ATOM 767 CA GLU A 61 -10.019 13.896 -10.861 1.00 0.00 C ATOM 768 C GLU A 61 -8.574 13.552 -11.261 1.00 0.00 C ATOM 769 O GLU A 61 -7.746 14.447 -11.311 1.00 0.00 O ATOM 770 CB GLU A 61 -10.844 13.948 -12.198 1.00 0.00 C ATOM 771 CG GLU A 61 -12.231 14.629 -12.080 1.00 0.00 C ATOM 772 CD GLU A 61 -13.110 14.131 -13.229 1.00 0.00 C ATOM 773 OE1 GLU A 61 -12.903 14.627 -14.324 1.00 0.00 O ATOM 774 OE2 GLU A 61 -13.939 13.282 -12.946 1.00 0.00 O ATOM 0 H GLU A 61 -9.451 15.967 -10.669 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.460 13.170 -10.179 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.258 14.477 -12.950 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.984 12.930 -12.562 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.690 14.392 -11.120 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.127 15.713 -12.124 1.00 0.00 H new ATOM 781 N GLY A 62 -8.313 12.262 -11.528 1.00 0.00 N ATOM 782 CA GLY A 62 -6.925 11.805 -11.933 1.00 0.00 C ATOM 783 C GLY A 62 -6.872 10.291 -12.216 1.00 0.00 C ATOM 784 O GLY A 62 -6.330 9.542 -11.420 1.00 0.00 O ATOM 0 H GLY A 62 -9.007 11.516 -11.480 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.609 12.351 -12.822 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.218 12.050 -11.141 1.00 0.00 H new ATOM 788 N THR A 63 -7.403 9.918 -13.372 1.00 0.00 N ATOM 789 CA THR A 63 -7.449 8.475 -13.840 1.00 0.00 C ATOM 790 C THR A 63 -6.048 8.023 -14.312 1.00 0.00 C ATOM 791 O THR A 63 -5.255 8.871 -14.694 1.00 0.00 O ATOM 792 CB THR A 63 -8.415 8.472 -15.074 1.00 0.00 C ATOM 793 OG1 THR A 63 -9.462 9.350 -14.706 1.00 0.00 O ATOM 794 CG2 THR A 63 -9.172 7.139 -15.370 1.00 0.00 C ATOM 0 H THR A 63 -7.820 10.575 -14.031 1.00 0.00 H new ATOM 0 HA THR A 63 -7.775 7.807 -13.042 1.00 0.00 H new ATOM 0 HB THR A 63 -7.799 8.706 -15.942 1.00 0.00 H new ATOM 0 HG1 THR A 63 -10.115 9.404 -15.435 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.807 7.268 -16.247 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.450 6.345 -15.558 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.789 6.873 -14.512 1.00 0.00 H new ATOM 802 N THR A 64 -5.784 6.702 -14.224 1.00 0.00 N ATOM 803 CA THR A 64 -4.440 6.110 -14.664 1.00 0.00 C ATOM 804 C THR A 64 -4.492 4.564 -14.858 1.00 0.00 C ATOM 805 O THR A 64 -5.083 3.869 -14.048 1.00 0.00 O ATOM 806 CB THR A 64 -3.284 6.479 -13.664 1.00 0.00 C ATOM 807 OG1 THR A 64 -2.322 5.452 -13.802 1.00 0.00 O ATOM 808 CG2 THR A 64 -3.628 6.423 -12.148 1.00 0.00 C ATOM 0 H THR A 64 -6.447 6.015 -13.865 1.00 0.00 H new ATOM 0 HA THR A 64 -4.228 6.560 -15.634 1.00 0.00 H new ATOM 0 HB THR A 64 -3.001 7.502 -13.911 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.568 5.627 -13.200 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.749 6.698 -11.565 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.439 7.119 -11.933 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.938 5.412 -11.882 1.00 0.00 H new ATOM 816 N SER A 65 -3.845 4.098 -15.945 1.00 0.00 N ATOM 817 CA SER A 65 -3.775 2.623 -16.311 1.00 0.00 C ATOM 818 C SER A 65 -2.636 1.916 -15.533 1.00 0.00 C ATOM 819 O SER A 65 -1.476 2.235 -15.752 1.00 0.00 O ATOM 820 CB SER A 65 -3.488 2.516 -17.831 1.00 0.00 C ATOM 821 OG SER A 65 -2.531 3.527 -18.121 1.00 0.00 O ATOM 0 H SER A 65 -3.354 4.705 -16.602 1.00 0.00 H new ATOM 0 HA SER A 65 -4.719 2.143 -16.054 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.103 1.529 -18.087 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.399 2.663 -18.411 1.00 0.00 H new ATOM 0 HG SER A 65 -1.821 3.508 -17.446 1.00 0.00 H new ATOM 827 N VAL A 66 -3.030 0.993 -14.629 1.00 0.00 N ATOM 828 CA VAL A 66 -2.078 0.172 -13.747 1.00 0.00 C ATOM 829 C VAL A 66 -2.127 -1.280 -14.298 1.00 0.00 C ATOM 830 O VAL A 66 -3.115 -1.648 -14.911 1.00 0.00 O ATOM 831 CB VAL A 66 -2.623 0.303 -12.215 1.00 0.00 C ATOM 832 CG1 VAL A 66 -2.084 -0.828 -11.202 1.00 0.00 C ATOM 833 CG2 VAL A 66 -2.305 1.764 -11.627 1.00 0.00 C ATOM 0 H VAL A 66 -4.013 0.773 -14.466 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.041 0.508 -13.758 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.699 0.145 -12.284 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.501 -0.656 -10.210 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.390 -1.812 -11.559 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.996 -0.782 -11.151 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.676 1.833 -10.604 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.228 1.933 -11.635 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.795 2.518 -12.242 1.00 0.00 H new ATOM 843 N VAL A 67 -1.006 -2.003 -14.092 1.00 0.00 N ATOM 844 CA VAL A 67 -0.790 -3.455 -14.526 1.00 0.00 C ATOM 845 C VAL A 67 -0.381 -4.164 -13.212 1.00 0.00 C ATOM 846 O VAL A 67 0.290 -3.533 -12.405 1.00 0.00 O ATOM 847 CB VAL A 67 0.401 -3.587 -15.628 1.00 0.00 C ATOM 848 CG1 VAL A 67 0.337 -4.975 -16.440 1.00 0.00 C ATOM 849 CG2 VAL A 67 0.420 -2.348 -16.635 1.00 0.00 C ATOM 0 H VAL A 67 -0.194 -1.614 -13.613 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.676 -3.879 -14.998 1.00 0.00 H new ATOM 0 HB VAL A 67 1.334 -3.580 -15.065 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.153 -5.012 -17.162 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.430 -5.808 -15.744 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.615 -5.046 -16.965 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.229 -2.476 -17.354 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.531 -2.295 -17.165 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.574 -1.426 -16.075 1.00 0.00 H new ATOM 859 N VAL A 68 -0.851 -5.421 -13.033 1.00 0.00 N ATOM 860 CA VAL A 68 -0.543 -6.265 -11.782 1.00 0.00 C ATOM 861 C VAL A 68 -0.251 -7.761 -12.127 1.00 0.00 C ATOM 862 O VAL A 68 -1.033 -8.407 -12.802 1.00 0.00 O ATOM 863 CB VAL A 68 -1.759 -6.219 -10.718 1.00 0.00 C ATOM 864 CG1 VAL A 68 -1.579 -5.057 -9.637 1.00 0.00 C ATOM 865 CG2 VAL A 68 -3.203 -6.152 -11.400 1.00 0.00 C ATOM 0 H VAL A 68 -1.442 -5.898 -13.714 1.00 0.00 H new ATOM 0 HA VAL A 68 0.351 -5.820 -11.344 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.709 -7.173 -10.193 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.422 -5.069 -8.946 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.654 -5.215 -9.083 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.538 -4.092 -10.143 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.970 -6.124 -10.626 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.274 -5.254 -12.014 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.351 -7.032 -12.026 1.00 0.00 H new ATOM 875 N ARG A 69 0.904 -8.232 -11.628 1.00 0.00 N ATOM 876 CA ARG A 69 1.411 -9.656 -11.822 1.00 0.00 C ATOM 877 C ARG A 69 0.882 -10.526 -10.661 1.00 0.00 C ATOM 878 O ARG A 69 0.586 -9.989 -9.605 1.00 0.00 O ATOM 879 CB ARG A 69 2.984 -9.616 -11.750 1.00 0.00 C ATOM 880 CG ARG A 69 3.693 -9.021 -13.044 1.00 0.00 C ATOM 881 CD ARG A 69 4.095 -10.079 -14.123 1.00 0.00 C ATOM 882 NE ARG A 69 5.328 -10.805 -13.690 1.00 0.00 N ATOM 883 CZ ARG A 69 6.106 -11.339 -14.591 1.00 0.00 C ATOM 884 NH1 ARG A 69 5.704 -12.412 -15.215 1.00 0.00 N ATOM 885 NH2 ARG A 69 7.263 -10.783 -14.836 1.00 0.00 N ATOM 0 H ARG A 69 1.536 -7.656 -11.072 1.00 0.00 H new ATOM 0 HA ARG A 69 1.077 -10.065 -12.776 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.280 -9.023 -10.885 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.353 -10.628 -11.583 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.025 -8.292 -13.503 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.588 -8.482 -12.734 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.280 -10.787 -14.272 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.269 -9.587 -15.080 1.00 0.00 H new ATOM 0 HE ARG A 69 5.559 -10.882 -12.699 1.00 0.00 H new ATOM 0 HH11 ARG A 69 4.795 -12.819 -14.995 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.299 -12.843 -15.923 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.545 -9.946 -14.326 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.884 -11.186 -15.537 1.00 0.00 H new ATOM 899 N ARG A 70 0.801 -11.848 -10.894 1.00 0.00 N ATOM 900 CA ARG A 70 0.301 -12.849 -9.861 1.00 0.00 C ATOM 901 C ARG A 70 1.279 -13.004 -8.659 1.00 0.00 C ATOM 902 O ARG A 70 0.828 -13.387 -7.591 1.00 0.00 O ATOM 903 CB ARG A 70 0.175 -14.219 -10.651 1.00 0.00 C ATOM 904 CG ARG A 70 -0.398 -15.511 -9.899 1.00 0.00 C ATOM 905 CD ARG A 70 -1.759 -15.354 -9.155 1.00 0.00 C ATOM 906 NE ARG A 70 -2.341 -16.711 -8.957 1.00 0.00 N ATOM 907 CZ ARG A 70 -3.622 -16.888 -9.131 1.00 0.00 C ATOM 908 NH1 ARG A 70 -4.437 -16.609 -8.151 1.00 0.00 N ATOM 909 NH2 ARG A 70 -4.046 -17.340 -10.280 1.00 0.00 N ATOM 0 H ARG A 70 1.069 -12.275 -11.781 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.643 -12.520 -9.426 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.458 -14.038 -11.520 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.166 -14.472 -11.027 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.504 -16.310 -10.633 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.348 -15.839 -9.175 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -1.612 -14.860 -8.195 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.439 -14.730 -9.734 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.744 -17.493 -8.688 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.070 -16.259 -7.266 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.441 -16.741 -8.270 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.379 -17.549 -11.023 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.044 -17.485 -10.434 1.00 0.00 H new ATOM 923 N SER A 71 2.571 -12.731 -8.902 1.00 0.00 N ATOM 924 CA SER A 71 3.675 -12.829 -7.847 1.00 0.00 C ATOM 925 C SER A 71 4.654 -11.672 -8.015 1.00 0.00 C ATOM 926 O SER A 71 4.846 -11.220 -9.128 1.00 0.00 O ATOM 927 CB SER A 71 4.441 -14.140 -8.078 1.00 0.00 C ATOM 928 OG SER A 71 4.083 -14.529 -9.396 1.00 0.00 O ATOM 0 H SER A 71 2.911 -12.436 -9.817 1.00 0.00 H new ATOM 0 HA SER A 71 3.235 -12.797 -6.850 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.517 -13.993 -7.985 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.159 -14.899 -7.349 1.00 0.00 H new ATOM 0 HG SER A 71 4.537 -15.367 -9.624 1.00 0.00 H new ATOM 934 N PHE A 72 5.215 -11.200 -6.886 1.00 0.00 N ATOM 935 CA PHE A 72 6.210 -10.045 -6.905 1.00 0.00 C ATOM 936 C PHE A 72 7.137 -10.060 -5.683 1.00 0.00 C ATOM 937 O PHE A 72 6.736 -10.469 -4.604 1.00 0.00 O ATOM 938 CB PHE A 72 5.433 -8.676 -6.976 1.00 0.00 C ATOM 939 CG PHE A 72 4.095 -8.672 -6.084 1.00 0.00 C ATOM 940 CD1 PHE A 72 4.127 -8.391 -4.687 1.00 0.00 C ATOM 941 CD2 PHE A 72 2.806 -8.948 -6.637 1.00 0.00 C ATOM 942 CE1 PHE A 72 2.971 -8.398 -3.935 1.00 0.00 C ATOM 943 CE2 PHE A 72 1.679 -8.944 -5.844 1.00 0.00 C ATOM 944 CZ PHE A 72 1.761 -8.670 -4.508 1.00 0.00 C ATOM 0 H PHE A 72 5.020 -11.572 -5.956 1.00 0.00 H new ATOM 0 HA PHE A 72 6.837 -10.162 -7.789 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.090 -7.873 -6.641 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.173 -8.464 -8.013 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.070 -8.169 -4.210 1.00 0.00 H new ATOM 0 HD2 PHE A 72 2.714 -9.163 -7.691 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.023 -8.185 -2.877 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.717 -9.161 -6.285 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.866 -8.668 -3.903 1.00 0.00 H new ATOM 954 N THR A 73 8.369 -9.609 -5.934 1.00 0.00 N ATOM 955 CA THR A 73 9.451 -9.526 -4.900 1.00 0.00 C ATOM 956 C THR A 73 9.144 -8.387 -3.903 1.00 0.00 C ATOM 957 O THR A 73 9.221 -7.224 -4.277 1.00 0.00 O ATOM 958 CB THR A 73 10.764 -9.247 -5.719 1.00 0.00 C ATOM 959 OG1 THR A 73 11.040 -10.488 -6.339 1.00 0.00 O ATOM 960 CG2 THR A 73 12.077 -8.974 -4.906 1.00 0.00 C ATOM 0 H THR A 73 8.663 -9.286 -6.856 1.00 0.00 H new ATOM 0 HA THR A 73 9.541 -10.434 -4.303 1.00 0.00 H new ATOM 0 HB THR A 73 10.566 -8.362 -6.323 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.853 -10.409 -6.881 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.902 -8.798 -5.596 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.938 -8.096 -4.275 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.304 -9.838 -4.281 1.00 0.00 H new ATOM 968 N GLY A 74 8.794 -8.778 -2.673 1.00 0.00 N ATOM 969 CA GLY A 74 8.465 -7.787 -1.577 1.00 0.00 C ATOM 970 C GLY A 74 9.760 -7.079 -1.125 1.00 0.00 C ATOM 971 O GLY A 74 10.805 -7.711 -1.146 1.00 0.00 O ATOM 0 H GLY A 74 8.724 -9.755 -2.388 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.743 -7.054 -1.938 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.004 -8.300 -0.733 1.00 0.00 H new ATOM 975 N TYR A 75 9.624 -5.787 -0.760 1.00 0.00 N ATOM 976 CA TYR A 75 10.773 -4.896 -0.285 1.00 0.00 C ATOM 977 C TYR A 75 10.370 -4.202 1.053 1.00 0.00 C ATOM 978 O TYR A 75 9.898 -3.073 1.081 1.00 0.00 O ATOM 979 CB TYR A 75 11.012 -3.887 -1.473 1.00 0.00 C ATOM 980 CG TYR A 75 12.298 -2.964 -1.283 1.00 0.00 C ATOM 981 CD1 TYR A 75 13.596 -3.444 -1.603 1.00 0.00 C ATOM 982 CD2 TYR A 75 12.202 -1.592 -0.934 1.00 0.00 C ATOM 983 CE1 TYR A 75 14.687 -2.604 -1.590 1.00 0.00 C ATOM 984 CE2 TYR A 75 13.322 -0.786 -0.932 1.00 0.00 C ATOM 985 CZ TYR A 75 14.561 -1.283 -1.258 1.00 0.00 C ATOM 986 OH TYR A 75 15.666 -0.456 -1.257 1.00 0.00 O ATOM 0 H TYR A 75 8.725 -5.305 -0.776 1.00 0.00 H new ATOM 0 HA TYR A 75 11.694 -5.435 -0.063 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.114 -4.450 -2.401 1.00 0.00 H new ATOM 0 HB3 TYR A 75 10.133 -3.252 -1.581 1.00 0.00 H new ATOM 0 HD1 TYR A 75 13.729 -4.484 -1.861 1.00 0.00 H new ATOM 0 HD2 TYR A 75 11.242 -1.174 -0.667 1.00 0.00 H new ATOM 0 HE1 TYR A 75 15.660 -2.995 -1.847 1.00 0.00 H new ATOM 0 HE2 TYR A 75 13.223 0.257 -0.669 1.00 0.00 H new ATOM 0 HH TYR A 75 15.396 0.450 -0.999 1.00 0.00 H new ATOM 996 N VAL A 76 10.605 -4.949 2.141 1.00 0.00 N ATOM 997 CA VAL A 76 10.290 -4.496 3.562 1.00 0.00 C ATOM 998 C VAL A 76 11.319 -3.397 3.979 1.00 0.00 C ATOM 999 O VAL A 76 12.420 -3.708 4.390 1.00 0.00 O ATOM 1000 CB VAL A 76 10.326 -5.819 4.520 1.00 0.00 C ATOM 1001 CG1 VAL A 76 10.276 -5.494 6.098 1.00 0.00 C ATOM 1002 CG2 VAL A 76 9.134 -6.823 4.137 1.00 0.00 C ATOM 0 H VAL A 76 11.015 -5.882 2.094 1.00 0.00 H new ATOM 0 HA VAL A 76 9.301 -4.046 3.650 1.00 0.00 H new ATOM 0 HB VAL A 76 11.292 -6.287 4.333 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.304 -6.426 6.662 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.134 -4.879 6.370 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.356 -4.957 6.330 1.00 0.00 H new ATOM 0 HG21 VAL A 76 9.173 -7.699 4.785 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.177 -6.318 4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.241 -7.135 3.098 1.00 0.00 H new ATOM 1012 N MET A 77 10.899 -2.121 3.829 1.00 0.00 N ATOM 1013 CA MET A 77 11.714 -0.835 4.167 1.00 0.00 C ATOM 1014 C MET A 77 13.155 -0.732 3.398 1.00 0.00 C ATOM 1015 O MET A 77 13.515 -1.697 2.751 1.00 0.00 O ATOM 1016 CB MET A 77 11.890 -0.739 5.759 1.00 0.00 C ATOM 1017 CG MET A 77 10.636 -1.097 6.634 1.00 0.00 C ATOM 1018 SD MET A 77 10.440 -0.170 8.203 1.00 0.00 S ATOM 1019 CE MET A 77 11.523 -1.074 9.367 1.00 0.00 C ATOM 0 H MET A 77 9.971 -1.904 3.465 1.00 0.00 H new ATOM 0 HA MET A 77 11.146 0.018 3.796 1.00 0.00 H new ATOM 0 HB2 MET A 77 12.707 -1.399 6.051 1.00 0.00 H new ATOM 0 HB3 MET A 77 12.197 0.277 6.006 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.742 -0.938 6.030 1.00 0.00 H new ATOM 0 HG3 MET A 77 10.677 -2.161 6.869 1.00 0.00 H new ATOM 0 HE1 MET A 77 11.481 -0.599 10.347 1.00 0.00 H new ATOM 0 HE2 MET A 77 11.186 -2.107 9.450 1.00 0.00 H new ATOM 0 HE3 MET A 77 12.549 -1.055 8.999 1.00 0.00 H new ATOM 1029 N PRO A 78 13.982 0.438 3.361 1.00 0.00 N ATOM 1030 CA PRO A 78 15.319 0.412 2.619 1.00 0.00 C ATOM 1031 C PRO A 78 16.420 -0.446 3.306 1.00 0.00 C ATOM 1032 O PRO A 78 17.414 -0.763 2.667 1.00 0.00 O ATOM 1033 CB PRO A 78 15.811 1.873 2.611 1.00 0.00 C ATOM 1034 CG PRO A 78 14.671 2.758 3.111 1.00 0.00 C ATOM 1035 CD PRO A 78 13.679 1.857 3.839 1.00 0.00 C ATOM 0 HA PRO A 78 15.156 -0.029 1.636 1.00 0.00 H new ATOM 0 HB2 PRO A 78 16.687 1.983 3.250 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.110 2.169 1.605 1.00 0.00 H new ATOM 0 HG2 PRO A 78 15.050 3.531 3.780 1.00 0.00 H new ATOM 0 HG3 PRO A 78 14.187 3.267 2.278 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.795 1.939 4.920 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.652 2.138 3.607 1.00 0.00 H new ATOM 1043 N ASP A 79 16.161 -0.858 4.552 1.00 0.00 N ATOM 1044 CA ASP A 79 17.127 -1.690 5.357 1.00 0.00 C ATOM 1045 C ASP A 79 17.109 -3.182 4.987 1.00 0.00 C ATOM 1046 O ASP A 79 18.169 -3.790 4.989 1.00 0.00 O ATOM 1047 CB ASP A 79 16.693 -1.582 6.826 1.00 0.00 C ATOM 1048 CG ASP A 79 17.104 -0.214 7.375 1.00 0.00 C ATOM 1049 OD1 ASP A 79 16.350 0.714 7.137 1.00 0.00 O ATOM 1050 OD2 ASP A 79 18.151 -0.176 8.000 1.00 0.00 O ATOM 0 H ASP A 79 15.295 -0.640 5.045 1.00 0.00 H new ATOM 0 HA ASP A 79 18.132 -1.316 5.161 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.614 -1.711 6.909 1.00 0.00 H new ATOM 0 HB3 ASP A 79 17.155 -2.376 7.413 1.00 0.00 H new ATOM 1055 N GLY A 80 15.912 -3.745 4.728 1.00 0.00 N ATOM 1056 CA GLY A 80 15.785 -5.210 4.354 1.00 0.00 C ATOM 1057 C GLY A 80 15.961 -6.096 5.658 1.00 0.00 C ATOM 1058 O GLY A 80 15.731 -5.523 6.716 1.00 0.00 O ATOM 0 H GLY A 80 15.026 -3.241 4.763 1.00 0.00 H new ATOM 0 HA2 GLY A 80 14.813 -5.399 3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.540 -5.476 3.614 1.00 0.00 H new ATOM 1062 N PRO A 81 16.306 -7.457 5.642 1.00 0.00 N ATOM 1063 CA PRO A 81 16.564 -8.358 4.445 1.00 0.00 C ATOM 1064 C PRO A 81 15.320 -8.621 3.581 1.00 0.00 C ATOM 1065 O PRO A 81 14.208 -8.576 4.090 1.00 0.00 O ATOM 1066 CB PRO A 81 17.003 -9.710 5.044 1.00 0.00 C ATOM 1067 CG PRO A 81 16.924 -9.614 6.574 1.00 0.00 C ATOM 1068 CD PRO A 81 16.488 -8.196 6.942 1.00 0.00 C ATOM 0 HA PRO A 81 17.297 -7.878 3.797 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.360 -10.512 4.681 1.00 0.00 H new ATOM 0 HB3 PRO A 81 18.019 -9.951 4.732 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.214 -10.343 6.964 1.00 0.00 H new ATOM 0 HG3 PRO A 81 17.892 -9.842 7.020 1.00 0.00 H new ATOM 0 HD2 PRO A 81 15.560 -8.211 7.514 1.00 0.00 H new ATOM 0 HD3 PRO A 81 17.238 -7.708 7.565 1.00 0.00 H new ATOM 1076 N GLU A 82 15.578 -8.901 2.300 1.00 0.00 N ATOM 1077 CA GLU A 82 14.498 -9.192 1.284 1.00 0.00 C ATOM 1078 C GLU A 82 13.868 -10.585 1.580 1.00 0.00 C ATOM 1079 O GLU A 82 14.591 -11.527 1.892 1.00 0.00 O ATOM 1080 CB GLU A 82 15.218 -9.173 -0.127 1.00 0.00 C ATOM 1081 CG GLU A 82 14.292 -8.834 -1.337 1.00 0.00 C ATOM 1082 CD GLU A 82 15.052 -9.184 -2.621 1.00 0.00 C ATOM 1083 OE1 GLU A 82 15.823 -8.337 -3.040 1.00 0.00 O ATOM 1084 OE2 GLU A 82 14.818 -10.278 -3.109 1.00 0.00 O ATOM 0 H GLU A 82 16.522 -8.938 1.916 1.00 0.00 H new ATOM 0 HA GLU A 82 13.689 -8.462 1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 82 16.029 -8.445 -0.094 1.00 0.00 H new ATOM 0 HB3 GLU A 82 15.672 -10.149 -0.299 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.362 -9.400 -1.277 1.00 0.00 H new ATOM 0 HG3 GLU A 82 14.023 -7.778 -1.328 1.00 0.00 H new ATOM 1091 N VAL A 83 12.531 -10.638 1.488 1.00 0.00 N ATOM 1092 CA VAL A 83 11.719 -11.908 1.743 1.00 0.00 C ATOM 1093 C VAL A 83 11.724 -12.860 0.528 1.00 0.00 C ATOM 1094 O VAL A 83 11.778 -14.066 0.727 1.00 0.00 O ATOM 1095 CB VAL A 83 10.187 -11.558 2.116 1.00 0.00 C ATOM 1096 CG1 VAL A 83 9.983 -11.426 3.696 1.00 0.00 C ATOM 1097 CG2 VAL A 83 9.589 -10.281 1.358 1.00 0.00 C ATOM 0 H VAL A 83 11.958 -9.831 1.240 1.00 0.00 H new ATOM 0 HA VAL A 83 12.200 -12.408 2.583 1.00 0.00 H new ATOM 0 HB VAL A 83 9.613 -12.410 1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.941 -11.190 3.910 1.00 0.00 H new ATOM 0 HG12 VAL A 83 10.248 -12.368 4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.621 -10.630 4.080 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.557 -10.123 1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.182 -9.400 1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.620 -10.449 0.282 1.00 0.00 H new ATOM 1107 N GLY A 84 11.642 -12.274 -0.661 1.00 0.00 N ATOM 1108 CA GLY A 84 11.631 -13.003 -1.976 1.00 0.00 C ATOM 1109 C GLY A 84 10.201 -13.045 -2.508 1.00 0.00 C ATOM 1110 O GLY A 84 9.323 -12.391 -1.966 1.00 0.00 O ATOM 0 H GLY A 84 11.579 -11.262 -0.767 1.00 0.00 H new ATOM 0 HA2 GLY A 84 12.284 -12.501 -2.690 1.00 0.00 H new ATOM 0 HA3 GLY A 84 12.015 -14.015 -1.849 1.00 0.00 H new ATOM 1114 N ALA A 85 10.050 -13.797 -3.571 1.00 0.00 N ATOM 1115 CA ALA A 85 8.729 -13.989 -4.271 1.00 0.00 C ATOM 1116 C ALA A 85 7.664 -14.693 -3.408 1.00 0.00 C ATOM 1117 O ALA A 85 7.898 -15.813 -2.972 1.00 0.00 O ATOM 1118 CB ALA A 85 8.998 -14.867 -5.507 1.00 0.00 C ATOM 0 H ALA A 85 10.819 -14.309 -4.004 1.00 0.00 H new ATOM 0 HA ALA A 85 8.334 -13.003 -4.514 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.065 -15.032 -6.046 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.711 -14.366 -6.161 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.409 -15.826 -5.190 1.00 0.00 H new ATOM 1124 N VAL A 86 6.563 -13.945 -3.143 1.00 0.00 N ATOM 1125 CA VAL A 86 5.376 -14.424 -2.321 1.00 0.00 C ATOM 1126 C VAL A 86 4.089 -14.150 -3.151 1.00 0.00 C ATOM 1127 O VAL A 86 3.938 -13.077 -3.718 1.00 0.00 O ATOM 1128 CB VAL A 86 5.413 -13.719 -0.860 1.00 0.00 C ATOM 1129 CG1 VAL A 86 5.070 -12.157 -0.855 1.00 0.00 C ATOM 1130 CG2 VAL A 86 4.557 -14.521 0.228 1.00 0.00 C ATOM 0 H VAL A 86 6.454 -12.990 -3.484 1.00 0.00 H new ATOM 0 HA VAL A 86 5.404 -15.495 -2.120 1.00 0.00 H new ATOM 0 HB VAL A 86 6.461 -13.775 -0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.120 -11.777 0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.790 -11.624 -1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.066 -12.004 -1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.615 -14.007 1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.517 -14.573 -0.093 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.955 -15.530 0.332 1.00 0.00 H new ATOM 1140 N ASP A 87 3.230 -15.172 -3.202 1.00 0.00 N ATOM 1141 CA ASP A 87 1.920 -15.118 -3.955 1.00 0.00 C ATOM 1142 C ASP A 87 0.788 -14.608 -3.059 1.00 0.00 C ATOM 1143 O ASP A 87 0.679 -15.056 -1.928 1.00 0.00 O ATOM 1144 CB ASP A 87 1.558 -16.558 -4.356 1.00 0.00 C ATOM 1145 CG ASP A 87 2.368 -16.965 -5.586 1.00 0.00 C ATOM 1146 OD1 ASP A 87 3.542 -17.239 -5.395 1.00 0.00 O ATOM 1147 OD2 ASP A 87 1.768 -16.981 -6.649 1.00 0.00 O ATOM 0 H ASP A 87 3.397 -16.064 -2.736 1.00 0.00 H new ATOM 0 HA ASP A 87 2.033 -14.453 -4.811 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.764 -17.239 -3.530 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.492 -16.630 -4.570 1.00 0.00 H new ATOM 1152 N CYS A 88 -0.034 -13.713 -3.614 1.00 0.00 N ATOM 1153 CA CYS A 88 -1.205 -13.105 -2.878 1.00 0.00 C ATOM 1154 C CYS A 88 -2.414 -14.087 -2.876 1.00 0.00 C ATOM 1155 O CYS A 88 -3.320 -13.988 -3.688 1.00 0.00 O ATOM 1156 CB CYS A 88 -1.529 -11.771 -3.607 1.00 0.00 C ATOM 1157 SG CYS A 88 -2.935 -10.786 -3.024 1.00 0.00 S ATOM 0 H CYS A 88 0.069 -13.377 -4.571 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.975 -12.913 -1.830 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.640 -11.142 -3.557 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -1.699 -12.001 -4.659 1.00 0.00 H new ATOM 1162 N ASP A 89 -2.334 -15.061 -1.962 1.00 0.00 N ATOM 1163 CA ASP A 89 -3.400 -16.134 -1.778 1.00 0.00 C ATOM 1164 C ASP A 89 -3.197 -16.833 -0.434 1.00 0.00 C ATOM 1165 O ASP A 89 -4.166 -17.132 0.247 1.00 0.00 O ATOM 1166 CB ASP A 89 -3.264 -17.249 -2.859 1.00 0.00 C ATOM 1167 CG ASP A 89 -4.275 -17.065 -4.003 1.00 0.00 C ATOM 1168 OD1 ASP A 89 -5.405 -17.491 -3.809 1.00 0.00 O ATOM 1169 OD2 ASP A 89 -3.853 -16.539 -5.019 1.00 0.00 O ATOM 0 H ASP A 89 -1.548 -15.155 -1.319 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.369 -15.640 -1.847 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -2.252 -17.240 -3.264 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -3.414 -18.224 -2.396 1.00 0.00 H new ATOM 1174 N THR A 90 -1.927 -17.007 -0.082 1.00 0.00 N ATOM 1175 CA THR A 90 -1.511 -17.684 1.207 1.00 0.00 C ATOM 1176 C THR A 90 -1.608 -16.733 2.414 1.00 0.00 C ATOM 1177 O THR A 90 -1.666 -17.215 3.538 1.00 0.00 O ATOM 1178 CB THR A 90 -0.011 -18.109 1.080 1.00 0.00 C ATOM 1179 OG1 THR A 90 0.705 -16.894 0.964 1.00 0.00 O ATOM 1180 CG2 THR A 90 0.364 -18.870 -0.230 1.00 0.00 C ATOM 0 H THR A 90 -1.142 -16.697 -0.654 1.00 0.00 H new ATOM 0 HA THR A 90 -2.176 -18.533 1.366 1.00 0.00 H new ATOM 0 HB THR A 90 0.204 -18.758 1.929 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.663 -17.085 0.882 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.425 -19.117 -0.216 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.221 -19.787 -0.298 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.150 -18.238 -1.092 1.00 0.00 H new ATOM 1188 N ALA A 91 -1.635 -15.421 2.143 1.00 0.00 N ATOM 1189 CA ALA A 91 -1.728 -14.378 3.243 1.00 0.00 C ATOM 1190 C ALA A 91 -3.142 -14.440 3.967 1.00 0.00 C ATOM 1191 O ALA A 91 -4.076 -14.735 3.239 1.00 0.00 O ATOM 1192 CB ALA A 91 -1.637 -12.988 2.587 1.00 0.00 C ATOM 0 H ALA A 91 -1.596 -15.035 1.200 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.931 -14.561 3.963 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.701 -12.218 3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.687 -12.896 2.060 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.458 -12.865 1.880 1.00 0.00 H new ATOM 1198 N PRO A 92 -3.344 -14.151 5.330 1.00 0.00 N ATOM 1199 CA PRO A 92 -4.721 -14.234 5.943 1.00 0.00 C ATOM 1200 C PRO A 92 -5.634 -13.057 5.531 1.00 0.00 C ATOM 1201 O PRO A 92 -6.773 -13.285 5.152 1.00 0.00 O ATOM 1202 CB PRO A 92 -4.473 -14.154 7.465 1.00 0.00 C ATOM 1203 CG PRO A 92 -3.091 -13.516 7.664 1.00 0.00 C ATOM 1204 CD PRO A 92 -2.310 -13.736 6.365 1.00 0.00 C ATOM 0 HA PRO A 92 -5.226 -15.143 5.615 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.246 -13.558 7.950 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.507 -15.147 7.914 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.184 -12.452 7.883 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.573 -13.971 8.508 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.793 -12.826 6.060 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.550 -14.507 6.491 1.00 0.00 H new ATOM 1212 N GLY A 93 -5.085 -11.842 5.595 1.00 0.00 N ATOM 1213 CA GLY A 93 -5.839 -10.585 5.233 1.00 0.00 C ATOM 1214 C GLY A 93 -6.066 -10.444 3.727 1.00 0.00 C ATOM 1215 O GLY A 93 -7.164 -10.108 3.314 1.00 0.00 O ATOM 0 H GLY A 93 -4.123 -11.676 5.891 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.802 -10.585 5.743 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.287 -9.718 5.595 1.00 0.00 H new ATOM 1219 N GLY A 94 -4.988 -10.659 2.973 1.00 0.00 N ATOM 1220 CA GLY A 94 -5.000 -10.567 1.459 1.00 0.00 C ATOM 1221 C GLY A 94 -4.749 -9.118 0.999 1.00 0.00 C ATOM 1222 O GLY A 94 -4.883 -8.188 1.782 1.00 0.00 O ATOM 0 H GLY A 94 -4.076 -10.901 3.361 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.235 -11.223 1.044 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.960 -10.914 1.076 1.00 0.00 H new ATOM 1226 N CYS A 95 -4.387 -8.992 -0.272 1.00 0.00 N ATOM 1227 CA CYS A 95 -4.095 -7.653 -0.902 1.00 0.00 C ATOM 1228 C CYS A 95 -5.358 -6.797 -1.080 1.00 0.00 C ATOM 1229 O CYS A 95 -6.437 -7.342 -1.268 1.00 0.00 O ATOM 1230 CB CYS A 95 -3.502 -7.930 -2.291 1.00 0.00 C ATOM 1231 SG CYS A 95 -2.102 -9.067 -2.376 1.00 0.00 S ATOM 0 H CYS A 95 -4.281 -9.782 -0.908 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.416 -7.102 -0.252 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.296 -8.323 -2.926 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -3.191 -6.978 -2.722 1.00 0.00 H new ATOM 1236 N GLU A 96 -5.153 -5.476 -0.978 1.00 0.00 N ATOM 1237 CA GLU A 96 -6.238 -4.423 -1.115 1.00 0.00 C ATOM 1238 C GLU A 96 -5.587 -3.172 -1.728 1.00 0.00 C ATOM 1239 O GLU A 96 -4.529 -2.780 -1.264 1.00 0.00 O ATOM 1240 CB GLU A 96 -6.734 -3.977 0.308 1.00 0.00 C ATOM 1241 CG GLU A 96 -7.942 -4.766 0.878 1.00 0.00 C ATOM 1242 CD GLU A 96 -8.029 -4.486 2.380 1.00 0.00 C ATOM 1243 OE1 GLU A 96 -8.585 -3.450 2.706 1.00 0.00 O ATOM 1244 OE2 GLU A 96 -7.535 -5.323 3.116 1.00 0.00 O ATOM 0 H GLU A 96 -4.232 -5.078 -0.797 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.058 -4.825 -1.710 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.902 -4.067 1.007 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.001 -2.921 0.265 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -8.863 -4.463 0.381 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.819 -5.834 0.697 1.00 0.00 H new ATOM 1251 N ILE A 97 -6.246 -2.592 -2.739 1.00 0.00 N ATOM 1252 CA ILE A 97 -5.743 -1.354 -3.446 1.00 0.00 C ATOM 1253 C ILE A 97 -6.145 -0.205 -2.489 1.00 0.00 C ATOM 1254 O ILE A 97 -7.229 -0.263 -1.927 1.00 0.00 O ATOM 1255 CB ILE A 97 -6.469 -1.187 -4.887 1.00 0.00 C ATOM 1256 CG1 ILE A 97 -6.712 -2.566 -5.704 1.00 0.00 C ATOM 1257 CG2 ILE A 97 -5.737 -0.074 -5.813 1.00 0.00 C ATOM 1258 CD1 ILE A 97 -5.527 -3.594 -5.807 1.00 0.00 C ATOM 0 H ILE A 97 -7.132 -2.943 -3.104 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.672 -1.381 -3.649 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.468 -0.830 -4.638 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.557 -3.079 -5.245 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.012 -2.302 -6.718 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.257 0.004 -6.768 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.759 0.892 -5.308 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.702 -0.369 -5.987 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.847 -4.462 -6.383 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.678 -3.123 -6.303 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.233 -3.911 -4.807 1.00 0.00 H new ATOM 1270 N VAL A 98 -5.194 0.725 -2.254 1.00 0.00 N ATOM 1271 CA VAL A 98 -5.381 1.938 -1.346 1.00 0.00 C ATOM 1272 C VAL A 98 -4.886 3.140 -2.187 1.00 0.00 C ATOM 1273 O VAL A 98 -3.880 3.030 -2.876 1.00 0.00 O ATOM 1274 CB VAL A 98 -4.513 1.840 0.033 1.00 0.00 C ATOM 1275 CG1 VAL A 98 -5.005 2.890 1.157 1.00 0.00 C ATOM 1276 CG2 VAL A 98 -4.519 0.365 0.623 1.00 0.00 C ATOM 0 H VAL A 98 -4.266 0.680 -2.676 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.422 2.022 -1.033 1.00 0.00 H new ATOM 0 HB VAL A 98 -3.491 2.105 -0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.392 2.779 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.907 3.906 0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.048 2.695 1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.931 0.338 1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.544 0.064 0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.086 -0.320 -0.106 1.00 0.00 H new ATOM 1286 N VAL A 99 -5.704 4.199 -2.152 1.00 0.00 N ATOM 1287 CA VAL A 99 -5.476 5.520 -2.874 1.00 0.00 C ATOM 1288 C VAL A 99 -5.660 6.557 -1.731 1.00 0.00 C ATOM 1289 O VAL A 99 -6.621 6.463 -0.988 1.00 0.00 O ATOM 1290 CB VAL A 99 -6.568 5.761 -4.064 1.00 0.00 C ATOM 1291 CG1 VAL A 99 -6.131 6.949 -5.049 1.00 0.00 C ATOM 1292 CG2 VAL A 99 -6.852 4.426 -4.886 1.00 0.00 C ATOM 0 H VAL A 99 -6.572 4.192 -1.616 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.507 5.575 -3.371 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.496 6.059 -3.576 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.886 7.075 -5.825 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.036 7.875 -4.482 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.174 6.706 -5.510 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.584 4.629 -5.668 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.925 4.073 -5.339 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.242 3.661 -4.214 1.00 0.00 H new ATOM 1302 N GLY A 100 -4.711 7.479 -1.592 1.00 0.00 N ATOM 1303 CA GLY A 100 -4.797 8.532 -0.508 1.00 0.00 C ATOM 1304 C GLY A 100 -3.581 9.448 -0.560 1.00 0.00 C ATOM 1305 O GLY A 100 -2.508 9.010 -0.947 1.00 0.00 O ATOM 0 H GLY A 100 -3.883 7.544 -2.184 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.707 9.118 -0.633 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.858 8.053 0.469 1.00 0.00 H new ATOM 1309 N GLY A 101 -3.799 10.680 -0.102 1.00 0.00 N ATOM 1310 CA GLY A 101 -2.733 11.748 -0.063 1.00 0.00 C ATOM 1311 C GLY A 101 -1.899 11.684 1.211 1.00 0.00 C ATOM 1312 O GLY A 101 -1.953 10.707 1.944 1.00 0.00 O ATOM 0 H GLY A 101 -4.703 10.990 0.255 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -2.080 11.638 -0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.201 12.729 -0.139 1.00 0.00 H new ATOM 1316 N ASN A 102 -1.209 12.797 1.443 1.00 0.00 N ATOM 1317 CA ASN A 102 -0.308 12.978 2.638 1.00 0.00 C ATOM 1318 C ASN A 102 -1.067 13.469 3.886 1.00 0.00 C ATOM 1319 O ASN A 102 -0.469 13.509 4.952 1.00 0.00 O ATOM 1320 CB ASN A 102 0.741 14.042 2.249 1.00 0.00 C ATOM 1321 CG ASN A 102 0.137 15.449 2.324 1.00 0.00 C ATOM 1322 OD1 ASN A 102 -0.760 15.790 1.580 1.00 0.00 O ATOM 1323 ND2 ASN A 102 0.598 16.294 3.208 1.00 0.00 N ATOM 0 H ASN A 102 -1.240 13.610 0.828 1.00 0.00 H new ATOM 0 HA ASN A 102 0.137 12.016 2.892 1.00 0.00 H new ATOM 0 HB2 ASN A 102 1.601 13.974 2.916 1.00 0.00 H new ATOM 0 HB3 ASN A 102 1.104 13.850 1.240 1.00 0.00 H new ATOM 0 HD21 ASN A 102 0.204 17.233 3.270 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.351 16.014 3.836 1.00 0.00 H new ATOM 1330 N THR A 103 -2.363 13.799 3.716 1.00 0.00 N ATOM 1331 CA THR A 103 -3.227 14.302 4.857 1.00 0.00 C ATOM 1332 C THR A 103 -3.532 13.186 5.880 1.00 0.00 C ATOM 1333 O THR A 103 -3.002 13.263 6.979 1.00 0.00 O ATOM 1334 CB THR A 103 -4.570 14.875 4.284 1.00 0.00 C ATOM 1335 OG1 THR A 103 -4.934 14.016 3.219 1.00 0.00 O ATOM 1336 CG2 THR A 103 -4.436 16.273 3.597 1.00 0.00 C ATOM 0 H THR A 103 -2.849 13.735 2.822 1.00 0.00 H new ATOM 0 HA THR A 103 -2.676 15.087 5.375 1.00 0.00 H new ATOM 0 HB THR A 103 -5.264 14.954 5.121 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.774 14.327 2.821 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.411 16.593 3.230 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.064 16.999 4.320 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.739 16.203 2.762 1.00 0.00 H new ATOM 1344 N GLY A 104 -4.325 12.168 5.500 1.00 0.00 N ATOM 1345 CA GLY A 104 -4.655 11.050 6.474 1.00 0.00 C ATOM 1346 C GLY A 104 -5.749 10.108 5.956 1.00 0.00 C ATOM 1347 O GLY A 104 -5.816 8.988 6.417 1.00 0.00 O ATOM 0 H GLY A 104 -4.745 12.073 4.575 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.752 10.473 6.676 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.975 11.484 7.421 1.00 0.00 H new ATOM 1351 N GLU A 105 -6.574 10.606 5.040 1.00 0.00 N ATOM 1352 CA GLU A 105 -7.715 9.800 4.429 1.00 0.00 C ATOM 1353 C GLU A 105 -7.196 8.636 3.549 1.00 0.00 C ATOM 1354 O GLU A 105 -6.108 8.750 3.009 1.00 0.00 O ATOM 1355 CB GLU A 105 -8.523 10.774 3.497 1.00 0.00 C ATOM 1356 CG GLU A 105 -9.516 11.708 4.255 1.00 0.00 C ATOM 1357 CD GLU A 105 -9.896 12.858 3.320 1.00 0.00 C ATOM 1358 OE1 GLU A 105 -10.774 12.625 2.505 1.00 0.00 O ATOM 1359 OE2 GLU A 105 -9.288 13.905 3.472 1.00 0.00 O ATOM 0 H GLU A 105 -6.504 11.558 4.681 1.00 0.00 H new ATOM 0 HA GLU A 105 -8.318 9.380 5.234 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.819 11.389 2.936 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.080 10.184 2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.405 11.154 4.557 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.056 12.094 5.165 1.00 0.00 H new ATOM 1366 N TYR A 106 -8.007 7.550 3.485 1.00 0.00 N ATOM 1367 CA TYR A 106 -7.698 6.294 2.675 1.00 0.00 C ATOM 1368 C TYR A 106 -8.963 5.839 1.911 1.00 0.00 C ATOM 1369 O TYR A 106 -10.066 6.016 2.399 1.00 0.00 O ATOM 1370 CB TYR A 106 -7.226 5.141 3.608 1.00 0.00 C ATOM 1371 CG TYR A 106 -7.559 5.430 5.139 1.00 0.00 C ATOM 1372 CD1 TYR A 106 -8.853 5.200 5.669 1.00 0.00 C ATOM 1373 CD2 TYR A 106 -6.571 5.867 6.055 1.00 0.00 C ATOM 1374 CE1 TYR A 106 -9.115 5.388 7.011 1.00 0.00 C ATOM 1375 CE2 TYR A 106 -6.874 6.043 7.392 1.00 0.00 C ATOM 1376 CZ TYR A 106 -8.136 5.807 7.874 1.00 0.00 C ATOM 1377 OH TYR A 106 -8.417 5.990 9.212 1.00 0.00 O ATOM 0 H TYR A 106 -8.895 7.498 3.983 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.902 6.529 1.969 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -7.705 4.210 3.303 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -6.151 4.999 3.492 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -9.646 4.873 5.013 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -5.569 6.065 5.705 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -10.110 5.202 7.388 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -6.101 6.373 8.071 1.00 0.00 H new ATOM 0 HH TYR A 106 -7.608 6.288 9.678 1.00 0.00 H new ATOM 1387 N GLY A 107 -8.741 5.261 0.726 1.00 0.00 N ATOM 1388 CA GLY A 107 -9.848 4.753 -0.176 1.00 0.00 C ATOM 1389 C GLY A 107 -10.412 3.386 0.243 1.00 0.00 C ATOM 1390 O GLY A 107 -11.567 3.302 0.606 1.00 0.00 O ATOM 0 H GLY A 107 -7.806 5.120 0.343 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.658 5.482 -0.187 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.469 4.682 -1.196 1.00 0.00 H new ATOM 1394 N ASN A 108 -9.550 2.361 0.157 1.00 0.00 N ATOM 1395 CA ASN A 108 -9.864 0.899 0.508 1.00 0.00 C ATOM 1396 C ASN A 108 -10.905 0.254 -0.464 1.00 0.00 C ATOM 1397 O ASN A 108 -12.040 0.704 -0.549 1.00 0.00 O ATOM 1398 CB ASN A 108 -10.295 0.662 2.007 1.00 0.00 C ATOM 1399 CG ASN A 108 -9.391 1.417 2.996 1.00 0.00 C ATOM 1400 OD1 ASN A 108 -9.844 2.291 3.704 1.00 0.00 O ATOM 1401 ND2 ASN A 108 -8.127 1.099 3.094 1.00 0.00 N ATOM 0 H ASN A 108 -8.589 2.489 -0.160 1.00 0.00 H new ATOM 0 HA ASN A 108 -8.908 0.392 0.378 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -11.328 0.984 2.142 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -10.262 -0.405 2.229 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -7.529 1.585 3.763 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -7.738 0.365 2.502 1.00 0.00 H new ATOM 1408 N ALA A 109 -10.456 -0.782 -1.213 1.00 0.00 N ATOM 1409 CA ALA A 109 -11.349 -1.523 -2.210 1.00 0.00 C ATOM 1410 C ALA A 109 -10.734 -2.903 -2.573 1.00 0.00 C ATOM 1411 O ALA A 109 -9.737 -2.973 -3.282 1.00 0.00 O ATOM 1412 CB ALA A 109 -11.492 -0.672 -3.508 1.00 0.00 C ATOM 0 H ALA A 109 -9.501 -1.138 -1.167 1.00 0.00 H new ATOM 0 HA ALA A 109 -12.326 -1.680 -1.753 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -12.128 -1.198 -4.220 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -11.940 0.291 -3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -10.508 -0.513 -3.949 1.00 0.00 H new ATOM 1418 N ALA A 110 -11.348 -3.961 -2.031 1.00 0.00 N ATOM 1419 CA ALA A 110 -10.897 -5.384 -2.269 1.00 0.00 C ATOM 1420 C ALA A 110 -11.213 -5.873 -3.690 1.00 0.00 C ATOM 1421 O ALA A 110 -12.116 -5.343 -4.321 1.00 0.00 O ATOM 1422 CB ALA A 110 -11.679 -6.272 -1.291 1.00 0.00 C ATOM 0 H ALA A 110 -12.161 -3.884 -1.421 1.00 0.00 H new ATOM 0 HA ALA A 110 -9.817 -5.431 -2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.384 -7.312 -1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -11.462 -5.965 -0.268 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -12.747 -6.170 -1.481 1.00 0.00 H new ATOM 1428 N ILE A 111 -10.415 -6.871 -4.118 1.00 0.00 N ATOM 1429 CA ILE A 111 -10.497 -7.558 -5.486 1.00 0.00 C ATOM 1430 C ILE A 111 -10.796 -9.077 -5.251 1.00 0.00 C ATOM 1431 O ILE A 111 -10.718 -9.499 -4.108 1.00 0.00 O ATOM 1432 CB ILE A 111 -9.096 -7.329 -6.279 1.00 0.00 C ATOM 1433 CG1 ILE A 111 -7.770 -7.562 -5.345 1.00 0.00 C ATOM 1434 CG2 ILE A 111 -9.092 -5.854 -6.937 1.00 0.00 C ATOM 1435 CD1 ILE A 111 -6.521 -8.134 -6.105 1.00 0.00 C ATOM 0 H ILE A 111 -9.670 -7.252 -3.534 1.00 0.00 H new ATOM 0 HA ILE A 111 -11.295 -7.138 -6.098 1.00 0.00 H new ATOM 0 HB ILE A 111 -9.036 -8.086 -7.061 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -7.495 -6.612 -4.886 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -8.029 -8.244 -4.535 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.154 -5.696 -7.470 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -9.925 -5.764 -7.634 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.194 -5.105 -6.152 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -5.693 -8.254 -5.406 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -6.772 -9.101 -6.541 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -6.230 -7.444 -6.897 1.00 0.00 H new ATOM 1447 N SER A 112 -11.158 -9.816 -6.329 1.00 0.00 N ATOM 1448 CA SER A 112 -11.481 -11.303 -6.273 1.00 0.00 C ATOM 1449 C SER A 112 -10.843 -12.003 -7.469 1.00 0.00 C ATOM 1450 O SER A 112 -10.344 -11.327 -8.355 1.00 0.00 O ATOM 1451 CB SER A 112 -13.007 -11.485 -6.373 1.00 0.00 C ATOM 1452 OG SER A 112 -13.256 -12.695 -5.671 1.00 0.00 O ATOM 0 H SER A 112 -11.240 -9.421 -7.266 1.00 0.00 H new ATOM 0 HA SER A 112 -11.102 -11.723 -5.341 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.539 -10.646 -5.924 1.00 0.00 H new ATOM 0 HB3 SER A 112 -13.334 -11.551 -7.411 1.00 0.00 H new ATOM 0 HG SER A 112 -14.217 -12.889 -5.684 1.00 0.00 H new ATOM 1458 N PHE A 113 -10.862 -13.343 -7.409 1.00 0.00 N ATOM 1459 CA PHE A 113 -10.289 -14.262 -8.479 1.00 0.00 C ATOM 1460 C PHE A 113 -11.326 -15.336 -8.823 1.00 0.00 C ATOM 1461 O PHE A 113 -12.092 -15.730 -7.955 1.00 0.00 O ATOM 1462 CB PHE A 113 -9.046 -14.987 -7.896 1.00 0.00 C ATOM 1463 CG PHE A 113 -7.853 -13.960 -7.651 1.00 0.00 C ATOM 1464 CD1 PHE A 113 -6.895 -13.676 -8.661 1.00 0.00 C ATOM 1465 CD2 PHE A 113 -7.675 -13.309 -6.402 1.00 0.00 C ATOM 1466 CE1 PHE A 113 -5.845 -12.816 -8.415 1.00 0.00 C ATOM 1467 CE2 PHE A 113 -6.611 -12.456 -6.197 1.00 0.00 C ATOM 1468 CZ PHE A 113 -5.706 -12.211 -7.195 1.00 0.00 C ATOM 0 H PHE A 113 -11.271 -13.850 -6.624 1.00 0.00 H new ATOM 0 HA PHE A 113 -10.028 -13.678 -9.362 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -9.311 -15.474 -6.957 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.722 -15.770 -8.581 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -6.990 -14.139 -9.632 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.381 -13.484 -5.603 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.124 -12.618 -9.194 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -6.490 -11.975 -5.237 1.00 0.00 H new ATOM 0 HZ PHE A 113 -4.880 -11.538 -7.019 1.00 0.00 H new ATOM 1478 N GLY A 114 -11.313 -15.768 -10.086 1.00 0.00 N ATOM 1479 CA GLY A 114 -12.265 -16.823 -10.596 1.00 0.00 C ATOM 1480 C GLY A 114 -11.941 -18.202 -10.005 1.00 0.00 C ATOM 1481 O GLY A 114 -12.894 -18.921 -9.753 1.00 0.00 O ATOM 1482 OXT GLY A 114 -10.759 -18.456 -9.841 1.00 0.00 O ATOM 0 H GLY A 114 -10.665 -15.420 -10.792 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -13.288 -16.547 -10.340 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -12.210 -16.870 -11.684 1.00 0.00 H new TER 1486 GLY A 114