USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 503 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 HIS : no HD1:sc= -0.801 K(o=-0.8,f=-0.21) USER MOD Single : A 1 HIS N :NH3+ -153:sc= -0.156 (180deg=-1.68!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0852 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 18:sc= -0.0676 USER MOD Single : A 12 SER OG : rot 180:sc= 0.115 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0783 USER MOD Single : A 18 SER OG : rot -1:sc= 0.275! USER MOD Single : A 20 MET CE :methyl -127:sc= -9.34! (180deg=-13.7!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 79:sc=-0.00906 USER MOD Single : A 27 SER OG : rot 180:sc= -0.509 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 130:sc= -0.665 USER MOD Single : A 40 LYS NZ :NH3+ -153:sc= -0.154 (180deg=-1.74!) USER MOD Single : A 41 LYS NZ :NH3+ -133:sc=-0.00504 (180deg=-0.167) USER MOD Single : A 44 GLN : amide:sc= -0.0405 K(o=-0.04,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.025 X(o=-0.025,f=0) USER MOD Single : A 58 MET CE :methyl -162:sc= -2.43! (180deg=-2.98!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 2.111 -38.650 11.310 1.00 0.00 N ATOM 2 CA HIS A 1 1.533 -38.551 9.938 1.00 0.00 C ATOM 3 C HIS A 1 2.654 -38.526 8.895 1.00 0.00 C ATOM 4 O HIS A 1 3.804 -38.294 9.211 1.00 0.00 O ATOM 5 CB HIS A 1 0.758 -37.231 9.926 1.00 0.00 C ATOM 6 CG HIS A 1 -0.054 -37.110 11.188 1.00 0.00 C ATOM 7 ND1 HIS A 1 -0.056 -35.957 11.956 1.00 0.00 N ATOM 8 CD2 HIS A 1 -0.891 -37.989 11.828 1.00 0.00 C ATOM 9 CE1 HIS A 1 -0.871 -36.171 13.005 1.00 0.00 C ATOM 10 NE2 HIS A 1 -1.406 -37.394 12.975 1.00 0.00 N ATOM 0 H1 HIS A 1 1.426 -39.111 11.943 1.00 0.00 H new ATOM 0 H2 HIS A 1 2.986 -39.211 11.278 1.00 0.00 H new ATOM 0 H3 HIS A 1 2.324 -37.697 11.667 1.00 0.00 H new ATOM 0 HA HIS A 1 0.893 -39.399 9.697 1.00 0.00 H new ATOM 0 HB2 HIS A 1 1.450 -36.392 9.845 1.00 0.00 H new ATOM 0 HB3 HIS A 1 0.104 -37.190 9.055 1.00 0.00 H new ATOM 0 HD2 HIS A 1 -1.116 -38.991 11.492 1.00 0.00 H new ATOM 0 HE1 HIS A 1 -1.068 -35.442 13.777 1.00 0.00 H new ATOM 0 HE2 HIS A 1 -2.053 -37.804 13.648 1.00 0.00 H new ATOM 20 N PHE A 2 2.327 -38.763 7.653 1.00 0.00 N ATOM 21 CA PHE A 2 3.375 -38.754 6.591 1.00 0.00 C ATOM 22 C PHE A 2 3.057 -37.682 5.545 1.00 0.00 C ATOM 23 O PHE A 2 2.147 -36.893 5.705 1.00 0.00 O ATOM 24 CB PHE A 2 3.314 -40.147 5.964 1.00 0.00 C ATOM 25 CG PHE A 2 4.533 -40.940 6.373 1.00 0.00 C ATOM 26 CD1 PHE A 2 4.797 -41.170 7.729 1.00 0.00 C ATOM 27 CD2 PHE A 2 5.399 -41.445 5.396 1.00 0.00 C ATOM 28 CE1 PHE A 2 5.926 -41.906 8.107 1.00 0.00 C ATOM 29 CE2 PHE A 2 6.528 -42.182 5.774 1.00 0.00 C ATOM 30 CZ PHE A 2 6.792 -42.412 7.131 1.00 0.00 C ATOM 0 H PHE A 2 1.381 -38.962 7.328 1.00 0.00 H new ATOM 0 HA PHE A 2 4.364 -38.528 6.988 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.408 -40.662 6.284 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.268 -40.066 4.878 1.00 0.00 H new ATOM 0 HD1 PHE A 2 4.130 -40.780 8.483 1.00 0.00 H new ATOM 0 HD2 PHE A 2 5.196 -41.266 4.350 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.129 -42.084 9.153 1.00 0.00 H new ATOM 0 HE2 PHE A 2 7.195 -42.573 5.020 1.00 0.00 H new ATOM 0 HZ PHE A 2 7.663 -42.979 7.423 1.00 0.00 H new ATOM 40 N ALA A 3 3.801 -37.649 4.473 1.00 0.00 N ATOM 41 CA ALA A 3 3.543 -36.632 3.414 1.00 0.00 C ATOM 42 C ALA A 3 3.489 -35.230 4.026 1.00 0.00 C ATOM 43 O ALA A 3 4.134 -34.948 5.016 1.00 0.00 O ATOM 44 CB ALA A 3 2.185 -37.011 2.825 1.00 0.00 C ATOM 0 H ALA A 3 4.577 -38.283 4.285 1.00 0.00 H new ATOM 0 HA ALA A 3 4.327 -36.617 2.657 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.922 -36.307 2.035 1.00 0.00 H new ATOM 0 HB2 ALA A 3 2.236 -38.018 2.412 1.00 0.00 H new ATOM 0 HB3 ALA A 3 1.427 -36.978 3.608 1.00 0.00 H new ATOM 50 N ALA A 4 2.721 -34.350 3.444 1.00 0.00 N ATOM 51 CA ALA A 4 2.623 -32.966 3.992 1.00 0.00 C ATOM 52 C ALA A 4 1.619 -32.927 5.146 1.00 0.00 C ATOM 53 O ALA A 4 1.293 -33.941 5.733 1.00 0.00 O ATOM 54 CB ALA A 4 2.133 -32.111 2.823 1.00 0.00 C ATOM 0 H ALA A 4 2.157 -34.529 2.613 1.00 0.00 H new ATOM 0 HA ALA A 4 3.574 -32.608 4.386 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.035 -31.075 3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.850 -32.169 2.004 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.164 -32.479 2.484 1.00 0.00 H new ATOM 60 N ASP A 5 1.123 -31.766 5.475 1.00 0.00 N ATOM 61 CA ASP A 5 0.140 -31.666 6.591 1.00 0.00 C ATOM 62 C ASP A 5 -1.192 -31.114 6.075 1.00 0.00 C ATOM 63 O ASP A 5 -1.299 -30.676 4.947 1.00 0.00 O ATOM 64 CB ASP A 5 0.772 -30.698 7.590 1.00 0.00 C ATOM 65 CG ASP A 5 1.332 -31.484 8.777 1.00 0.00 C ATOM 66 OD1 ASP A 5 2.484 -31.882 8.709 1.00 0.00 O ATOM 67 OD2 ASP A 5 0.600 -31.676 9.734 1.00 0.00 O ATOM 0 H ASP A 5 1.355 -30.883 5.020 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.073 -32.635 7.042 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.568 -30.130 7.108 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.030 -29.978 7.934 1.00 0.00 H new ATOM 72 N CYS A 6 -2.210 -31.135 6.891 1.00 0.00 N ATOM 73 CA CYS A 6 -3.535 -30.614 6.446 1.00 0.00 C ATOM 74 C CYS A 6 -4.297 -30.018 7.632 1.00 0.00 C ATOM 75 O CYS A 6 -3.897 -30.156 8.771 1.00 0.00 O ATOM 76 CB CYS A 6 -4.270 -31.836 5.892 1.00 0.00 C ATOM 77 SG CYS A 6 -3.541 -32.310 4.305 1.00 0.00 S ATOM 0 H CYS A 6 -2.182 -31.490 7.847 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.441 -29.822 5.703 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.203 -32.665 6.597 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.329 -31.610 5.765 1.00 0.00 H new ATOM 82 N CYS A 7 -5.391 -29.353 7.375 1.00 0.00 N ATOM 83 CA CYS A 7 -6.176 -28.749 8.488 1.00 0.00 C ATOM 84 C CYS A 7 -7.673 -28.795 8.173 1.00 0.00 C ATOM 85 O CYS A 7 -8.082 -28.733 7.031 1.00 0.00 O ATOM 86 CB CYS A 7 -5.699 -27.300 8.565 1.00 0.00 C ATOM 87 SG CYS A 7 -4.995 -26.983 10.203 1.00 0.00 S ATOM 0 H CYS A 7 -5.775 -29.202 6.442 1.00 0.00 H new ATOM 0 HA CYS A 7 -6.031 -29.283 9.427 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.953 -27.110 7.794 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.531 -26.621 8.377 1.00 0.00 H new ATOM 92 N THR A 8 -8.494 -28.889 9.183 1.00 0.00 N ATOM 93 CA THR A 8 -9.966 -28.922 8.949 1.00 0.00 C ATOM 94 C THR A 8 -10.552 -27.531 9.201 1.00 0.00 C ATOM 95 O THR A 8 -11.614 -27.192 8.717 1.00 0.00 O ATOM 96 CB THR A 8 -10.521 -29.934 9.957 1.00 0.00 C ATOM 97 OG1 THR A 8 -9.493 -30.326 10.857 1.00 0.00 O ATOM 98 CG2 THR A 8 -11.047 -31.163 9.214 1.00 0.00 C ATOM 0 H THR A 8 -8.209 -28.944 10.161 1.00 0.00 H new ATOM 0 HA THR A 8 -10.219 -29.204 7.927 1.00 0.00 H new ATOM 0 HB THR A 8 -11.335 -29.474 10.517 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.851 -30.972 11.501 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.441 -31.882 9.933 1.00 0.00 H new ATOM 0 HG22 THR A 8 -11.840 -30.862 8.529 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.235 -31.622 8.650 1.00 0.00 H new ATOM 106 N SER A 9 -9.856 -26.723 9.952 1.00 0.00 N ATOM 107 CA SER A 9 -10.350 -25.346 10.239 1.00 0.00 C ATOM 108 C SER A 9 -9.244 -24.331 9.933 1.00 0.00 C ATOM 109 O SER A 9 -8.249 -24.656 9.317 1.00 0.00 O ATOM 110 CB SER A 9 -10.684 -25.349 11.732 1.00 0.00 C ATOM 111 OG SER A 9 -11.985 -24.814 11.928 1.00 0.00 O ATOM 0 H SER A 9 -8.961 -26.958 10.382 1.00 0.00 H new ATOM 0 HA SER A 9 -11.215 -25.073 9.634 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.634 -26.365 12.125 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.950 -24.759 12.281 1.00 0.00 H new ATOM 0 HG SER A 9 -12.200 -24.818 12.884 1.00 0.00 H new ATOM 117 N TYR A 10 -9.403 -23.108 10.361 1.00 0.00 N ATOM 118 CA TYR A 10 -8.351 -22.083 10.091 1.00 0.00 C ATOM 119 C TYR A 10 -8.292 -21.075 11.243 1.00 0.00 C ATOM 120 O TYR A 10 -8.940 -21.241 12.257 1.00 0.00 O ATOM 121 CB TYR A 10 -8.784 -21.398 8.791 1.00 0.00 C ATOM 122 CG TYR A 10 -8.645 -22.371 7.643 1.00 0.00 C ATOM 123 CD1 TYR A 10 -7.451 -23.080 7.464 1.00 0.00 C ATOM 124 CD2 TYR A 10 -9.714 -22.571 6.762 1.00 0.00 C ATOM 125 CE1 TYR A 10 -7.326 -23.988 6.407 1.00 0.00 C ATOM 126 CE2 TYR A 10 -9.589 -23.478 5.702 1.00 0.00 C ATOM 127 CZ TYR A 10 -8.395 -24.188 5.525 1.00 0.00 C ATOM 128 OH TYR A 10 -8.272 -25.083 4.483 1.00 0.00 O ATOM 0 H TYR A 10 -10.212 -22.774 10.884 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.357 -22.522 10.003 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.817 -21.058 8.872 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.171 -20.515 8.610 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.625 -22.926 8.143 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -10.636 -22.026 6.900 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.405 -24.535 6.271 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -10.413 -23.630 5.021 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.524 -25.691 4.661 1.00 0.00 H new ATOM 138 N ILE A 11 -7.516 -20.034 11.100 1.00 0.00 N ATOM 139 CA ILE A 11 -7.420 -19.028 12.198 1.00 0.00 C ATOM 140 C ILE A 11 -8.727 -18.234 12.295 1.00 0.00 C ATOM 141 O ILE A 11 -9.539 -18.245 11.392 1.00 0.00 O ATOM 142 CB ILE A 11 -6.235 -18.116 11.833 1.00 0.00 C ATOM 143 CG1 ILE A 11 -6.641 -17.113 10.744 1.00 0.00 C ATOM 144 CG2 ILE A 11 -5.054 -18.961 11.344 1.00 0.00 C ATOM 145 CD1 ILE A 11 -6.720 -17.807 9.382 1.00 0.00 C ATOM 0 H ILE A 11 -6.948 -19.837 10.276 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.262 -19.495 13.170 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.938 -17.563 12.724 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.606 -16.670 10.990 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.918 -16.299 10.703 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.220 -18.307 11.088 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.747 -19.648 12.132 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.353 -19.529 10.463 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.009 -17.082 8.621 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.746 -18.228 9.131 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.461 -18.605 9.423 1.00 0.00 H new ATOM 157 N SER A 12 -8.941 -17.552 13.388 1.00 0.00 N ATOM 158 CA SER A 12 -10.203 -16.768 13.543 1.00 0.00 C ATOM 159 C SER A 12 -9.978 -15.303 13.167 1.00 0.00 C ATOM 160 O SER A 12 -10.827 -14.460 13.380 1.00 0.00 O ATOM 161 CB SER A 12 -10.581 -16.889 15.022 1.00 0.00 C ATOM 162 OG SER A 12 -9.486 -17.409 15.761 1.00 0.00 O ATOM 0 H SER A 12 -8.299 -17.503 14.179 1.00 0.00 H new ATOM 0 HA SER A 12 -10.992 -17.143 12.891 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.865 -15.913 15.415 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.448 -17.541 15.132 1.00 0.00 H new ATOM 0 HG SER A 12 -9.734 -17.482 16.706 1.00 0.00 H new ATOM 168 N GLN A 13 -8.844 -14.990 12.607 1.00 0.00 N ATOM 169 CA GLN A 13 -8.573 -13.577 12.217 1.00 0.00 C ATOM 170 C GLN A 13 -7.464 -13.525 11.164 1.00 0.00 C ATOM 171 O GLN A 13 -6.990 -14.540 10.699 1.00 0.00 O ATOM 172 CB GLN A 13 -8.125 -12.888 13.505 1.00 0.00 C ATOM 173 CG GLN A 13 -6.785 -13.471 13.957 1.00 0.00 C ATOM 174 CD GLN A 13 -6.285 -12.701 15.182 1.00 0.00 C ATOM 175 OE1 GLN A 13 -7.061 -12.081 15.881 1.00 0.00 O ATOM 176 NE2 GLN A 13 -5.012 -12.716 15.471 1.00 0.00 N ATOM 0 H GLN A 13 -8.093 -15.649 12.402 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.447 -13.093 11.782 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.030 -11.815 13.341 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.875 -13.027 14.284 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.898 -14.528 14.199 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.056 -13.405 13.149 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.362 -13.237 14.883 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.668 -12.207 16.285 1.00 0.00 H new ATOM 185 N SER A 14 -7.049 -12.349 10.783 1.00 0.00 N ATOM 186 CA SER A 14 -5.971 -12.237 9.759 1.00 0.00 C ATOM 187 C SER A 14 -4.754 -13.066 10.180 1.00 0.00 C ATOM 188 O SER A 14 -4.457 -13.200 11.351 1.00 0.00 O ATOM 189 CB SER A 14 -5.623 -10.749 9.715 1.00 0.00 C ATOM 190 OG SER A 14 -6.819 -9.984 9.702 1.00 0.00 O ATOM 0 H SER A 14 -7.408 -11.462 11.135 1.00 0.00 H new ATOM 0 HA SER A 14 -6.284 -12.610 8.784 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.016 -10.481 10.580 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.029 -10.530 8.828 1.00 0.00 H new ATOM 0 HG SER A 14 -6.597 -9.030 9.676 1.00 0.00 H new ATOM 196 N ILE A 15 -4.046 -13.622 9.235 1.00 0.00 N ATOM 197 CA ILE A 15 -2.849 -14.439 9.581 1.00 0.00 C ATOM 198 C ILE A 15 -1.726 -13.521 10.085 1.00 0.00 C ATOM 199 O ILE A 15 -1.488 -12.467 9.531 1.00 0.00 O ATOM 200 CB ILE A 15 -2.460 -15.128 8.270 1.00 0.00 C ATOM 201 CG1 ILE A 15 -3.336 -16.367 8.073 1.00 0.00 C ATOM 202 CG2 ILE A 15 -0.993 -15.551 8.319 1.00 0.00 C ATOM 203 CD1 ILE A 15 -2.970 -17.421 9.122 1.00 0.00 C ATOM 0 H ILE A 15 -4.245 -13.546 8.238 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.039 -15.164 10.373 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.606 -14.434 7.442 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.389 -16.099 8.162 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.194 -16.771 7.071 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.724 -16.040 7.383 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.365 -14.671 8.462 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.841 -16.243 9.147 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.593 -18.304 8.983 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.921 -17.696 9.011 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.135 -17.014 10.120 1.00 0.00 H new ATOM 215 N PRO A 16 -1.090 -13.953 11.138 1.00 0.00 N ATOM 216 CA PRO A 16 0.003 -13.162 11.754 1.00 0.00 C ATOM 217 C PRO A 16 1.318 -13.333 10.984 1.00 0.00 C ATOM 218 O PRO A 16 2.223 -14.009 11.432 1.00 0.00 O ATOM 219 CB PRO A 16 0.125 -13.756 13.152 1.00 0.00 C ATOM 220 CG PRO A 16 -0.397 -15.157 13.036 1.00 0.00 C ATOM 221 CD PRO A 16 -1.332 -15.209 11.851 1.00 0.00 C ATOM 0 HA PRO A 16 -0.205 -12.092 11.754 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.160 -13.749 13.493 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.452 -13.180 13.875 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.425 -15.860 12.904 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.920 -15.446 13.948 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.123 -16.071 11.218 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.371 -15.291 12.169 1.00 0.00 H new ATOM 229 N CYS A 17 1.440 -12.717 9.841 1.00 0.00 N ATOM 230 CA CYS A 17 2.709 -12.838 9.064 1.00 0.00 C ATOM 231 C CYS A 17 3.868 -12.242 9.860 1.00 0.00 C ATOM 232 O CYS A 17 5.024 -12.545 9.626 1.00 0.00 O ATOM 233 CB CYS A 17 2.476 -12.031 7.794 1.00 0.00 C ATOM 234 SG CYS A 17 2.646 -13.118 6.359 1.00 0.00 S ATOM 0 H CYS A 17 0.720 -12.137 9.411 1.00 0.00 H new ATOM 0 HA CYS A 17 2.962 -13.876 8.849 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.482 -11.583 7.810 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.193 -11.213 7.732 1.00 0.00 H new ATOM 239 N SER A 18 3.563 -11.393 10.802 1.00 0.00 N ATOM 240 CA SER A 18 4.637 -10.760 11.622 1.00 0.00 C ATOM 241 C SER A 18 5.377 -11.810 12.455 1.00 0.00 C ATOM 242 O SER A 18 6.345 -11.512 13.126 1.00 0.00 O ATOM 243 CB SER A 18 3.907 -9.772 12.534 1.00 0.00 C ATOM 244 OG SER A 18 4.753 -9.416 13.617 1.00 0.00 O ATOM 0 H SER A 18 2.613 -11.109 11.041 1.00 0.00 H new ATOM 0 HA SER A 18 5.388 -10.272 11.001 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.624 -8.882 11.972 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.986 -10.219 12.909 1.00 0.00 H new ATOM 0 HG SER A 18 5.600 -9.903 13.544 1.00 0.00 H new ATOM 250 N LEU A 19 4.936 -13.035 12.416 1.00 0.00 N ATOM 251 CA LEU A 19 5.624 -14.095 13.202 1.00 0.00 C ATOM 252 C LEU A 19 5.735 -15.378 12.374 1.00 0.00 C ATOM 253 O LEU A 19 5.603 -16.471 12.890 1.00 0.00 O ATOM 254 CB LEU A 19 4.739 -14.319 14.429 1.00 0.00 C ATOM 255 CG LEU A 19 5.171 -13.371 15.551 1.00 0.00 C ATOM 256 CD1 LEU A 19 3.959 -12.577 16.045 1.00 0.00 C ATOM 257 CD2 LEU A 19 5.754 -14.181 16.710 1.00 0.00 C ATOM 0 H LEU A 19 4.130 -13.348 11.875 1.00 0.00 H new ATOM 0 HA LEU A 19 6.638 -13.810 13.481 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.694 -14.144 14.173 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.817 -15.354 14.763 1.00 0.00 H new ATOM 0 HG LEU A 19 5.927 -12.683 15.172 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.267 -11.902 16.844 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.543 -11.998 15.221 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.203 -13.265 16.423 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.061 -13.505 17.508 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.999 -14.870 17.089 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.618 -14.746 16.361 1.00 0.00 H new ATOM 269 N MET A 20 5.984 -15.261 11.093 1.00 0.00 N ATOM 270 CA MET A 20 6.109 -16.488 10.248 1.00 0.00 C ATOM 271 C MET A 20 7.319 -16.369 9.319 1.00 0.00 C ATOM 272 O MET A 20 7.511 -15.374 8.647 1.00 0.00 O ATOM 273 CB MET A 20 4.826 -16.580 9.412 1.00 0.00 C ATOM 274 CG MET A 20 3.592 -16.288 10.273 1.00 0.00 C ATOM 275 SD MET A 20 2.986 -17.827 11.004 1.00 0.00 S ATOM 276 CE MET A 20 1.231 -17.387 11.013 1.00 0.00 C ATOM 0 H MET A 20 6.105 -14.377 10.599 1.00 0.00 H new ATOM 0 HA MET A 20 6.245 -17.374 10.868 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.874 -15.871 8.585 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.742 -17.575 8.975 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.844 -15.575 11.058 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.812 -15.830 9.665 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.827 -17.524 12.016 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.116 -16.345 10.714 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.692 -18.027 10.314 1.00 0.00 H new ATOM 286 N LYS A 21 8.139 -17.381 9.284 1.00 0.00 N ATOM 287 CA LYS A 21 9.347 -17.345 8.412 1.00 0.00 C ATOM 288 C LYS A 21 9.085 -18.050 7.073 1.00 0.00 C ATOM 289 O LYS A 21 9.597 -17.647 6.049 1.00 0.00 O ATOM 290 CB LYS A 21 10.422 -18.084 9.210 1.00 0.00 C ATOM 291 CG LYS A 21 11.566 -18.498 8.280 1.00 0.00 C ATOM 292 CD LYS A 21 12.106 -17.265 7.553 1.00 0.00 C ATOM 293 CE LYS A 21 13.628 -17.211 7.705 1.00 0.00 C ATOM 294 NZ LYS A 21 14.159 -17.475 6.337 1.00 0.00 N ATOM 0 H LYS A 21 8.024 -18.238 9.825 1.00 0.00 H new ATOM 0 HA LYS A 21 9.641 -16.325 8.164 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.802 -17.443 10.006 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.992 -18.965 9.687 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.362 -18.972 8.854 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.213 -19.234 7.557 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.836 -17.304 6.498 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.656 -16.361 7.964 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.954 -16.239 8.075 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.981 -17.957 8.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.199 -17.455 6.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.838 -18.410 6.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.812 -16.745 5.683 1.00 0.00 H new ATOM 308 N SER A 22 8.307 -19.104 7.063 1.00 0.00 N ATOM 309 CA SER A 22 8.057 -19.808 5.770 1.00 0.00 C ATOM 310 C SER A 22 6.709 -20.537 5.780 1.00 0.00 C ATOM 311 O SER A 22 6.488 -21.450 6.551 1.00 0.00 O ATOM 312 CB SER A 22 9.201 -20.815 5.644 1.00 0.00 C ATOM 313 OG SER A 22 9.726 -20.770 4.326 1.00 0.00 O ATOM 0 H SER A 22 7.842 -19.501 7.879 1.00 0.00 H new ATOM 0 HA SER A 22 8.019 -19.108 4.935 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.984 -20.585 6.367 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.843 -21.819 5.870 1.00 0.00 H new ATOM 0 HG SER A 22 10.460 -21.414 4.244 1.00 0.00 H new ATOM 319 N TYR A 23 5.819 -20.145 4.912 1.00 0.00 N ATOM 320 CA TYR A 23 4.485 -20.809 4.837 1.00 0.00 C ATOM 321 C TYR A 23 4.512 -21.902 3.760 1.00 0.00 C ATOM 322 O TYR A 23 5.385 -21.923 2.915 1.00 0.00 O ATOM 323 CB TYR A 23 3.527 -19.690 4.434 1.00 0.00 C ATOM 324 CG TYR A 23 3.819 -19.290 3.008 1.00 0.00 C ATOM 325 CD1 TYR A 23 3.297 -20.041 1.949 1.00 0.00 C ATOM 326 CD2 TYR A 23 4.622 -18.172 2.745 1.00 0.00 C ATOM 327 CE1 TYR A 23 3.574 -19.675 0.628 1.00 0.00 C ATOM 328 CE2 TYR A 23 4.899 -17.806 1.422 1.00 0.00 C ATOM 329 CZ TYR A 23 4.375 -18.558 0.363 1.00 0.00 C ATOM 330 OH TYR A 23 4.647 -18.197 -0.941 1.00 0.00 O ATOM 0 H TYR A 23 5.959 -19.386 4.245 1.00 0.00 H new ATOM 0 HA TYR A 23 4.194 -21.285 5.773 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.494 -20.025 4.528 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.646 -18.834 5.098 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.680 -20.904 2.152 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.027 -17.593 3.562 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.170 -20.255 -0.189 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.517 -16.944 1.218 1.00 0.00 H new ATOM 0 HH TYR A 23 5.216 -17.399 -0.948 1.00 0.00 H new ATOM 340 N PHE A 24 3.566 -22.804 3.769 1.00 0.00 N ATOM 341 CA PHE A 24 3.560 -23.872 2.727 1.00 0.00 C ATOM 342 C PHE A 24 2.128 -24.324 2.428 1.00 0.00 C ATOM 343 O PHE A 24 1.260 -24.276 3.277 1.00 0.00 O ATOM 344 CB PHE A 24 4.388 -25.020 3.311 1.00 0.00 C ATOM 345 CG PHE A 24 3.578 -25.785 4.331 1.00 0.00 C ATOM 346 CD1 PHE A 24 2.579 -26.679 3.915 1.00 0.00 C ATOM 347 CD2 PHE A 24 3.836 -25.612 5.696 1.00 0.00 C ATOM 348 CE1 PHE A 24 1.843 -27.394 4.867 1.00 0.00 C ATOM 349 CE2 PHE A 24 3.097 -26.326 6.646 1.00 0.00 C ATOM 350 CZ PHE A 24 2.101 -27.218 6.232 1.00 0.00 C ATOM 0 H PHE A 24 2.804 -22.848 4.446 1.00 0.00 H new ATOM 0 HA PHE A 24 3.977 -23.521 1.783 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.707 -25.690 2.513 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.292 -24.626 3.776 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.379 -26.815 2.862 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.607 -24.926 6.016 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.075 -28.083 4.548 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.295 -26.189 7.699 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.532 -27.770 6.965 1.00 0.00 H new ATOM 360 N GLU A 25 1.879 -24.763 1.226 1.00 0.00 N ATOM 361 CA GLU A 25 0.507 -25.220 0.866 1.00 0.00 C ATOM 362 C GLU A 25 0.375 -26.725 1.106 1.00 0.00 C ATOM 363 O GLU A 25 1.287 -27.487 0.847 1.00 0.00 O ATOM 364 CB GLU A 25 0.360 -24.900 -0.622 1.00 0.00 C ATOM 365 CG GLU A 25 0.338 -23.383 -0.819 1.00 0.00 C ATOM 366 CD GLU A 25 0.993 -23.032 -2.156 1.00 0.00 C ATOM 367 OE1 GLU A 25 1.468 -23.942 -2.817 1.00 0.00 O ATOM 368 OE2 GLU A 25 1.010 -21.861 -2.495 1.00 0.00 O ATOM 0 H GLU A 25 2.567 -24.825 0.476 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.262 -24.732 1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.186 -25.338 -1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.558 -25.341 -1.011 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.689 -23.018 -0.798 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.868 -22.892 -0.003 1.00 0.00 H new ATOM 375 N THR A 26 -0.751 -27.161 1.598 1.00 0.00 N ATOM 376 CA THR A 26 -0.937 -28.616 1.852 1.00 0.00 C ATOM 377 C THR A 26 -0.991 -29.377 0.525 1.00 0.00 C ATOM 378 O THR A 26 -0.713 -28.834 -0.525 1.00 0.00 O ATOM 379 CB THR A 26 -2.279 -28.725 2.579 1.00 0.00 C ATOM 380 OG1 THR A 26 -3.299 -28.156 1.770 1.00 0.00 O ATOM 381 CG2 THR A 26 -2.208 -27.980 3.913 1.00 0.00 C ATOM 0 H THR A 26 -1.550 -26.573 1.835 1.00 0.00 H new ATOM 0 HA THR A 26 -0.120 -29.040 2.436 1.00 0.00 H new ATOM 0 HB THR A 26 -2.504 -29.775 2.768 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.557 -28.794 1.072 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.166 -28.061 4.426 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.426 -28.418 4.533 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.981 -26.929 3.731 1.00 0.00 H new ATOM 389 N SER A 27 -1.350 -30.629 0.565 1.00 0.00 N ATOM 390 CA SER A 27 -1.427 -31.423 -0.694 1.00 0.00 C ATOM 391 C SER A 27 -2.883 -31.541 -1.153 1.00 0.00 C ATOM 392 O SER A 27 -3.784 -31.695 -0.353 1.00 0.00 O ATOM 393 CB SER A 27 -0.867 -32.798 -0.333 1.00 0.00 C ATOM 394 OG SER A 27 0.400 -32.643 0.290 1.00 0.00 O ATOM 0 H SER A 27 -1.594 -31.138 1.415 1.00 0.00 H new ATOM 0 HA SER A 27 -0.871 -30.959 -1.509 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.553 -33.318 0.336 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.771 -33.411 -1.229 1.00 0.00 H new ATOM 0 HG SER A 27 0.760 -33.524 0.524 1.00 0.00 H new ATOM 400 N SER A 28 -3.121 -31.472 -2.434 1.00 0.00 N ATOM 401 CA SER A 28 -4.521 -31.583 -2.937 1.00 0.00 C ATOM 402 C SER A 28 -5.062 -32.991 -2.684 1.00 0.00 C ATOM 403 O SER A 28 -6.230 -33.263 -2.875 1.00 0.00 O ATOM 404 CB SER A 28 -4.429 -31.299 -4.437 1.00 0.00 C ATOM 405 OG SER A 28 -4.563 -32.514 -5.160 1.00 0.00 O ATOM 0 H SER A 28 -2.409 -31.344 -3.153 1.00 0.00 H new ATOM 0 HA SER A 28 -5.197 -30.890 -2.436 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.210 -30.599 -4.734 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.474 -30.828 -4.671 1.00 0.00 H new ATOM 0 HG SER A 28 -4.506 -32.331 -6.121 1.00 0.00 H new ATOM 411 N GLU A 29 -4.219 -33.885 -2.255 1.00 0.00 N ATOM 412 CA GLU A 29 -4.679 -35.276 -1.983 1.00 0.00 C ATOM 413 C GLU A 29 -5.507 -35.315 -0.697 1.00 0.00 C ATOM 414 O GLU A 29 -6.250 -36.244 -0.453 1.00 0.00 O ATOM 415 CB GLU A 29 -3.397 -36.094 -1.825 1.00 0.00 C ATOM 416 CG GLU A 29 -3.633 -37.514 -2.342 1.00 0.00 C ATOM 417 CD GLU A 29 -3.963 -38.437 -1.166 1.00 0.00 C ATOM 418 OE1 GLU A 29 -3.104 -38.614 -0.318 1.00 0.00 O ATOM 419 OE2 GLU A 29 -5.069 -38.952 -1.136 1.00 0.00 O ATOM 0 H GLU A 29 -3.229 -33.714 -2.080 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.313 -35.666 -2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.583 -35.625 -2.377 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.097 -36.122 -0.777 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.451 -37.519 -3.063 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.746 -37.875 -2.864 1.00 0.00 H new ATOM 426 N CYS A 30 -5.386 -34.311 0.127 1.00 0.00 N ATOM 427 CA CYS A 30 -6.168 -34.287 1.397 1.00 0.00 C ATOM 428 C CYS A 30 -7.643 -34.005 1.099 1.00 0.00 C ATOM 429 O CYS A 30 -7.998 -33.596 0.011 1.00 0.00 O ATOM 430 CB CYS A 30 -5.562 -33.149 2.216 1.00 0.00 C ATOM 431 SG CYS A 30 -4.705 -33.829 3.657 1.00 0.00 S ATOM 0 H CYS A 30 -4.779 -33.505 -0.024 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.124 -35.238 1.928 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.866 -32.577 1.603 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.344 -32.461 2.537 1.00 0.00 H new ATOM 436 N SER A 31 -8.505 -34.213 2.057 1.00 0.00 N ATOM 437 CA SER A 31 -9.952 -33.949 1.819 1.00 0.00 C ATOM 438 C SER A 31 -10.155 -32.482 1.453 1.00 0.00 C ATOM 439 O SER A 31 -11.065 -32.124 0.732 1.00 0.00 O ATOM 440 CB SER A 31 -10.642 -34.274 3.143 1.00 0.00 C ATOM 441 OG SER A 31 -10.333 -35.607 3.522 1.00 0.00 O ATOM 0 H SER A 31 -8.271 -34.553 2.990 1.00 0.00 H new ATOM 0 HA SER A 31 -10.355 -34.545 1.000 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.314 -33.579 3.916 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.721 -34.154 3.043 1.00 0.00 H new ATOM 0 HG SER A 31 -10.774 -35.816 4.372 1.00 0.00 H new ATOM 447 N LYS A 32 -9.304 -31.638 1.945 1.00 0.00 N ATOM 448 CA LYS A 32 -9.417 -30.183 1.637 1.00 0.00 C ATOM 449 C LYS A 32 -8.039 -29.522 1.728 1.00 0.00 C ATOM 450 O LYS A 32 -7.220 -29.901 2.542 1.00 0.00 O ATOM 451 CB LYS A 32 -10.356 -29.622 2.703 1.00 0.00 C ATOM 452 CG LYS A 32 -9.741 -29.831 4.087 1.00 0.00 C ATOM 453 CD LYS A 32 -10.684 -29.269 5.152 1.00 0.00 C ATOM 454 CE LYS A 32 -11.683 -30.351 5.569 1.00 0.00 C ATOM 455 NZ LYS A 32 -12.847 -29.606 6.128 1.00 0.00 N ATOM 0 H LYS A 32 -8.525 -31.890 2.554 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.794 -29.999 0.631 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.530 -28.560 2.527 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.325 -30.117 2.646 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.567 -30.892 4.263 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.772 -29.335 4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.113 -28.932 6.018 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.214 -28.400 4.762 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.979 -30.964 4.718 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.251 -31.022 6.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.576 -30.281 6.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.537 -29.036 6.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.242 -28.980 5.397 1.00 0.00 H new ATOM 469 N PRO A 33 -7.832 -28.554 0.881 1.00 0.00 N ATOM 470 CA PRO A 33 -6.538 -27.829 0.856 1.00 0.00 C ATOM 471 C PRO A 33 -6.415 -26.901 2.069 1.00 0.00 C ATOM 472 O PRO A 33 -7.243 -26.911 2.958 1.00 0.00 O ATOM 473 CB PRO A 33 -6.604 -27.024 -0.438 1.00 0.00 C ATOM 474 CG PRO A 33 -8.065 -26.855 -0.716 1.00 0.00 C ATOM 475 CD PRO A 33 -8.772 -28.047 -0.124 1.00 0.00 C ATOM 0 HA PRO A 33 -5.676 -28.495 0.897 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.109 -26.059 -0.328 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.105 -27.547 -1.254 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.436 -25.930 -0.275 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.248 -26.793 -1.789 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.723 -27.764 0.326 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.990 -28.799 -0.882 1.00 0.00 H new ATOM 483 N GLY A 34 -5.385 -26.103 2.108 1.00 0.00 N ATOM 484 CA GLY A 34 -5.197 -25.174 3.255 1.00 0.00 C ATOM 485 C GLY A 34 -3.759 -24.654 3.247 1.00 0.00 C ATOM 486 O GLY A 34 -2.875 -25.261 2.681 1.00 0.00 O ATOM 0 H GLY A 34 -4.662 -26.055 1.390 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.898 -24.342 3.184 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.406 -25.688 4.193 1.00 0.00 H new ATOM 490 N VAL A 35 -3.517 -23.534 3.866 1.00 0.00 N ATOM 491 CA VAL A 35 -2.132 -22.982 3.887 1.00 0.00 C ATOM 492 C VAL A 35 -1.639 -22.860 5.330 1.00 0.00 C ATOM 493 O VAL A 35 -2.197 -22.131 6.124 1.00 0.00 O ATOM 494 CB VAL A 35 -2.247 -21.600 3.246 1.00 0.00 C ATOM 495 CG1 VAL A 35 -0.994 -20.783 3.568 1.00 0.00 C ATOM 496 CG2 VAL A 35 -2.388 -21.748 1.730 1.00 0.00 C ATOM 0 H VAL A 35 -4.215 -22.977 4.358 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.424 -23.620 3.358 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.125 -21.088 3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.075 -19.797 3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.897 -20.675 4.648 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.115 -21.294 3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.470 -20.761 1.274 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.512 -22.260 1.331 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.282 -22.328 1.503 1.00 0.00 H new ATOM 506 N ILE A 36 -0.596 -23.559 5.676 1.00 0.00 N ATOM 507 CA ILE A 36 -0.080 -23.466 7.069 1.00 0.00 C ATOM 508 C ILE A 36 1.176 -22.599 7.105 1.00 0.00 C ATOM 509 O ILE A 36 2.118 -22.827 6.376 1.00 0.00 O ATOM 510 CB ILE A 36 0.244 -24.905 7.477 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.046 -25.610 7.900 1.00 0.00 C ATOM 512 CG2 ILE A 36 1.234 -24.900 8.651 1.00 0.00 C ATOM 513 CD1 ILE A 36 -0.711 -26.891 8.667 1.00 0.00 C ATOM 0 H ILE A 36 -0.081 -24.187 5.059 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.802 -23.010 7.747 1.00 0.00 H new ATOM 0 HB ILE A 36 0.691 -25.431 6.633 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.645 -24.947 8.525 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.646 -25.848 7.021 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.462 -25.926 8.939 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.152 -24.395 8.351 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.791 -24.376 9.498 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.634 -27.388 8.965 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.130 -27.556 8.028 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.130 -26.642 9.555 1.00 0.00 H new ATOM 525 N PHE A 37 1.208 -21.616 7.956 1.00 0.00 N ATOM 526 CA PHE A 37 2.422 -20.757 8.030 1.00 0.00 C ATOM 527 C PHE A 37 3.378 -21.317 9.086 1.00 0.00 C ATOM 528 O PHE A 37 2.968 -21.710 10.159 1.00 0.00 O ATOM 529 CB PHE A 37 1.916 -19.368 8.434 1.00 0.00 C ATOM 530 CG PHE A 37 1.061 -18.799 7.326 1.00 0.00 C ATOM 531 CD1 PHE A 37 -0.225 -19.309 7.106 1.00 0.00 C ATOM 532 CD2 PHE A 37 1.549 -17.762 6.519 1.00 0.00 C ATOM 533 CE1 PHE A 37 -1.022 -18.784 6.082 1.00 0.00 C ATOM 534 CE2 PHE A 37 0.751 -17.238 5.494 1.00 0.00 C ATOM 535 CZ PHE A 37 -0.534 -17.749 5.276 1.00 0.00 C ATOM 0 H PHE A 37 0.455 -21.370 8.599 1.00 0.00 H new ATOM 0 HA PHE A 37 2.966 -20.719 7.086 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.338 -19.434 9.356 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.759 -18.706 8.633 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.602 -20.108 7.727 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.540 -17.367 6.687 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.014 -19.178 5.914 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.127 -16.440 4.872 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.149 -17.344 4.486 1.00 0.00 H new ATOM 545 N LEU A 38 4.646 -21.364 8.795 1.00 0.00 N ATOM 546 CA LEU A 38 5.609 -21.906 9.792 1.00 0.00 C ATOM 547 C LEU A 38 6.290 -20.755 10.525 1.00 0.00 C ATOM 548 O LEU A 38 6.857 -19.874 9.915 1.00 0.00 O ATOM 549 CB LEU A 38 6.627 -22.701 8.972 1.00 0.00 C ATOM 550 CG LEU A 38 7.135 -23.885 9.795 1.00 0.00 C ATOM 551 CD1 LEU A 38 5.994 -24.881 10.021 1.00 0.00 C ATOM 552 CD2 LEU A 38 8.271 -24.577 9.040 1.00 0.00 C ATOM 0 H LEU A 38 5.056 -21.052 7.915 1.00 0.00 H new ATOM 0 HA LEU A 38 5.126 -22.528 10.545 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.168 -23.056 8.049 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.460 -22.059 8.687 1.00 0.00 H new ATOM 0 HG LEU A 38 7.499 -23.527 10.758 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.358 -25.724 10.608 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.183 -24.389 10.557 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.628 -25.240 9.059 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.635 -25.422 9.625 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.904 -24.933 8.077 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.085 -23.870 8.879 1.00 0.00 H new ATOM 564 N THR A 39 6.232 -20.750 11.826 1.00 0.00 N ATOM 565 CA THR A 39 6.868 -19.644 12.597 1.00 0.00 C ATOM 566 C THR A 39 8.312 -20.008 12.941 1.00 0.00 C ATOM 567 O THR A 39 8.623 -21.145 13.236 1.00 0.00 O ATOM 568 CB THR A 39 6.034 -19.511 13.876 1.00 0.00 C ATOM 569 OG1 THR A 39 6.411 -20.529 14.792 1.00 0.00 O ATOM 570 CG2 THR A 39 4.545 -19.648 13.545 1.00 0.00 C ATOM 0 H THR A 39 5.772 -21.464 12.391 1.00 0.00 H new ATOM 0 HA THR A 39 6.895 -18.713 12.032 1.00 0.00 H new ATOM 0 HB THR A 39 6.212 -18.532 14.321 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.592 -20.130 15.668 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.959 -19.552 14.459 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.255 -18.865 12.844 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.360 -20.624 13.096 1.00 0.00 H new ATOM 578 N LYS A 40 9.196 -19.051 12.908 1.00 0.00 N ATOM 579 CA LYS A 40 10.620 -19.343 13.238 1.00 0.00 C ATOM 580 C LYS A 40 10.734 -19.782 14.700 1.00 0.00 C ATOM 581 O LYS A 40 11.681 -20.434 15.093 1.00 0.00 O ATOM 582 CB LYS A 40 11.357 -18.021 13.014 1.00 0.00 C ATOM 583 CG LYS A 40 12.831 -18.300 12.712 1.00 0.00 C ATOM 584 CD LYS A 40 13.701 -17.252 13.411 1.00 0.00 C ATOM 585 CE LYS A 40 15.178 -17.553 13.148 1.00 0.00 C ATOM 586 NZ LYS A 40 15.369 -18.957 13.611 1.00 0.00 N ATOM 0 H LYS A 40 8.995 -18.080 12.667 1.00 0.00 H new ATOM 0 HA LYS A 40 11.034 -20.146 12.628 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.903 -17.475 12.187 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.270 -17.390 13.898 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.101 -19.299 13.054 1.00 0.00 H new ATOM 0 HG3 LYS A 40 13.004 -18.274 11.636 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.452 -16.256 13.046 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.504 -17.257 14.483 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.421 -17.449 12.090 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.825 -16.865 13.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.359 -19.096 13.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.743 -19.144 14.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.138 -19.612 12.837 1.00 0.00 H new ATOM 600 N LYS A 41 9.772 -19.425 15.506 1.00 0.00 N ATOM 601 CA LYS A 41 9.814 -19.815 16.945 1.00 0.00 C ATOM 602 C LYS A 41 9.567 -21.314 17.100 1.00 0.00 C ATOM 603 O LYS A 41 9.893 -21.911 18.106 1.00 0.00 O ATOM 604 CB LYS A 41 8.688 -19.014 17.600 1.00 0.00 C ATOM 605 CG LYS A 41 9.185 -18.417 18.917 1.00 0.00 C ATOM 606 CD LYS A 41 8.294 -17.235 19.306 1.00 0.00 C ATOM 607 CE LYS A 41 6.972 -17.756 19.871 1.00 0.00 C ATOM 608 NZ LYS A 41 7.273 -18.096 21.290 1.00 0.00 N ATOM 0 H LYS A 41 8.956 -18.879 15.230 1.00 0.00 H new ATOM 0 HA LYS A 41 10.783 -19.610 17.400 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.356 -18.220 16.931 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.828 -19.658 17.782 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.168 -19.173 19.702 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.219 -18.089 18.813 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.798 -16.614 20.046 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.107 -16.605 18.436 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.188 -17.002 19.803 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.623 -18.630 19.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.888 -19.036 21.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.303 -18.101 21.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.839 -17.388 21.916 1.00 0.00 H new ATOM 622 N GLY A 42 8.992 -21.923 16.107 1.00 0.00 N ATOM 623 CA GLY A 42 8.717 -23.386 16.181 1.00 0.00 C ATOM 624 C GLY A 42 7.212 -23.618 16.351 1.00 0.00 C ATOM 625 O GLY A 42 6.773 -24.242 17.296 1.00 0.00 O ATOM 0 H GLY A 42 8.698 -21.471 15.241 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.071 -23.879 15.276 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.260 -23.827 17.017 1.00 0.00 H new ATOM 629 N ARG A 43 6.417 -23.121 15.442 1.00 0.00 N ATOM 630 CA ARG A 43 4.940 -23.316 15.551 1.00 0.00 C ATOM 631 C ARG A 43 4.308 -23.352 14.155 1.00 0.00 C ATOM 632 O ARG A 43 4.984 -23.214 13.157 1.00 0.00 O ATOM 633 CB ARG A 43 4.440 -22.104 16.337 1.00 0.00 C ATOM 634 CG ARG A 43 3.491 -22.568 17.444 1.00 0.00 C ATOM 635 CD ARG A 43 2.978 -21.352 18.216 1.00 0.00 C ATOM 636 NE ARG A 43 1.581 -21.703 18.599 1.00 0.00 N ATOM 637 CZ ARG A 43 0.965 -21.012 19.517 1.00 0.00 C ATOM 638 NH1 ARG A 43 1.602 -20.649 20.597 1.00 0.00 N ATOM 639 NH2 ARG A 43 -0.287 -20.682 19.356 1.00 0.00 N ATOM 0 H ARG A 43 6.725 -22.588 14.628 1.00 0.00 H new ATOM 0 HA ARG A 43 4.680 -24.254 16.041 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.283 -21.565 16.769 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.926 -21.412 15.670 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.655 -23.119 17.014 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.008 -23.250 18.119 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.591 -21.155 19.095 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.005 -20.453 17.600 1.00 0.00 H new ATOM 0 HE ARG A 43 1.107 -22.483 18.143 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.581 -20.906 20.722 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.121 -20.108 21.316 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.784 -20.965 18.512 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.768 -20.141 20.075 1.00 0.00 H new ATOM 653 N GLN A 44 3.017 -23.541 14.075 1.00 0.00 N ATOM 654 CA GLN A 44 2.356 -23.588 12.736 1.00 0.00 C ATOM 655 C GLN A 44 0.930 -23.032 12.813 1.00 0.00 C ATOM 656 O GLN A 44 0.185 -23.325 13.728 1.00 0.00 O ATOM 657 CB GLN A 44 2.318 -25.070 12.355 1.00 0.00 C ATOM 658 CG GLN A 44 3.652 -25.733 12.705 1.00 0.00 C ATOM 659 CD GLN A 44 3.751 -27.083 11.989 1.00 0.00 C ATOM 660 OE1 GLN A 44 4.139 -27.146 10.839 1.00 0.00 O ATOM 661 NE2 GLN A 44 3.416 -28.171 12.625 1.00 0.00 N ATOM 0 H GLN A 44 2.394 -23.664 14.873 1.00 0.00 H new ATOM 0 HA GLN A 44 2.894 -22.986 12.004 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.505 -25.569 12.882 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.119 -25.175 11.289 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.480 -25.089 12.408 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.729 -25.874 13.783 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.090 -28.118 13.590 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.480 -29.075 12.157 1.00 0.00 H new ATOM 670 N VAL A 45 0.539 -22.246 11.845 1.00 0.00 N ATOM 671 CA VAL A 45 -0.843 -21.686 11.841 1.00 0.00 C ATOM 672 C VAL A 45 -1.631 -22.308 10.689 1.00 0.00 C ATOM 673 O VAL A 45 -1.058 -22.868 9.774 1.00 0.00 O ATOM 674 CB VAL A 45 -0.673 -20.181 11.633 1.00 0.00 C ATOM 675 CG1 VAL A 45 -2.015 -19.569 11.221 1.00 0.00 C ATOM 676 CG2 VAL A 45 -0.198 -19.540 12.938 1.00 0.00 C ATOM 0 H VAL A 45 1.120 -21.967 11.054 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.386 -21.896 12.763 1.00 0.00 H new ATOM 0 HB VAL A 45 0.063 -20.001 10.850 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.895 -18.496 11.072 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.355 -20.028 10.293 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.752 -19.747 12.004 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.076 -18.467 12.793 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.935 -19.719 13.721 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.756 -19.977 13.232 1.00 0.00 H new ATOM 686 N CYS A 46 -2.933 -22.223 10.720 1.00 0.00 N ATOM 687 CA CYS A 46 -3.741 -22.827 9.620 1.00 0.00 C ATOM 688 C CYS A 46 -4.746 -21.813 9.077 1.00 0.00 C ATOM 689 O CYS A 46 -5.636 -21.377 9.775 1.00 0.00 O ATOM 690 CB CYS A 46 -4.473 -24.002 10.272 1.00 0.00 C ATOM 691 SG CYS A 46 -3.614 -25.547 9.882 1.00 0.00 S ATOM 0 H CYS A 46 -3.471 -21.764 11.455 1.00 0.00 H new ATOM 0 HA CYS A 46 -3.122 -23.140 8.779 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.517 -23.862 11.352 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.502 -24.046 9.914 1.00 0.00 H new ATOM 696 N ALA A 47 -4.612 -21.434 7.836 1.00 0.00 N ATOM 697 CA ALA A 47 -5.563 -20.446 7.253 1.00 0.00 C ATOM 698 C ALA A 47 -6.184 -20.994 5.964 1.00 0.00 C ATOM 699 O ALA A 47 -5.628 -21.850 5.309 1.00 0.00 O ATOM 700 CB ALA A 47 -4.719 -19.211 6.949 1.00 0.00 C ATOM 0 H ALA A 47 -3.886 -21.765 7.201 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.386 -20.224 7.933 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.351 -18.436 6.515 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.271 -18.840 7.871 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.931 -19.474 6.243 1.00 0.00 H new ATOM 706 N LYS A 48 -7.332 -20.498 5.600 1.00 0.00 N ATOM 707 CA LYS A 48 -7.997 -20.979 4.352 1.00 0.00 C ATOM 708 C LYS A 48 -7.066 -20.799 3.150 1.00 0.00 C ATOM 709 O LYS A 48 -6.058 -20.126 3.240 1.00 0.00 O ATOM 710 CB LYS A 48 -9.236 -20.096 4.204 1.00 0.00 C ATOM 711 CG LYS A 48 -10.492 -20.969 4.207 1.00 0.00 C ATOM 712 CD LYS A 48 -11.482 -20.442 3.165 1.00 0.00 C ATOM 713 CE LYS A 48 -12.879 -20.361 3.782 1.00 0.00 C ATOM 714 NZ LYS A 48 -13.571 -19.281 3.022 1.00 0.00 N ATOM 0 H LYS A 48 -7.842 -19.778 6.112 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.250 -22.038 4.400 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.280 -19.375 5.020 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.180 -19.525 3.277 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.230 -22.003 3.984 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.950 -20.962 5.196 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.169 -19.458 2.816 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.495 -21.099 2.295 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.407 -21.310 3.690 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.829 -20.126 4.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.538 -19.164 3.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.049 -18.389 3.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.610 -19.536 2.014 1.00 0.00 H new ATOM 728 N PRO A 49 -7.443 -21.410 2.060 1.00 0.00 N ATOM 729 CA PRO A 49 -6.640 -21.317 0.817 1.00 0.00 C ATOM 730 C PRO A 49 -6.785 -19.926 0.192 1.00 0.00 C ATOM 731 O PRO A 49 -5.822 -19.328 -0.245 1.00 0.00 O ATOM 732 CB PRO A 49 -7.249 -22.387 -0.084 1.00 0.00 C ATOM 733 CG PRO A 49 -8.651 -22.557 0.412 1.00 0.00 C ATOM 734 CD PRO A 49 -8.643 -22.236 1.885 1.00 0.00 C ATOM 0 HA PRO A 49 -5.573 -21.465 0.982 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.235 -22.078 -1.129 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.691 -23.321 -0.020 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.332 -21.894 -0.123 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.999 -23.576 0.242 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.544 -21.699 2.182 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.597 -23.141 2.491 1.00 0.00 H new ATOM 742 N SER A 50 -7.981 -19.408 0.149 1.00 0.00 N ATOM 743 CA SER A 50 -8.185 -18.056 -0.445 1.00 0.00 C ATOM 744 C SER A 50 -8.652 -17.072 0.630 1.00 0.00 C ATOM 745 O SER A 50 -9.340 -16.111 0.350 1.00 0.00 O ATOM 746 CB SER A 50 -9.272 -18.247 -1.503 1.00 0.00 C ATOM 747 OG SER A 50 -9.046 -19.464 -2.199 1.00 0.00 O ATOM 0 H SER A 50 -8.825 -19.861 0.499 1.00 0.00 H new ATOM 0 HA SER A 50 -7.268 -17.650 -0.872 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.255 -18.262 -1.032 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.266 -17.410 -2.201 1.00 0.00 H new ATOM 0 HG SER A 50 -9.743 -19.588 -2.876 1.00 0.00 H new ATOM 753 N GLY A 51 -8.282 -17.304 1.861 1.00 0.00 N ATOM 754 CA GLY A 51 -8.704 -16.381 2.952 1.00 0.00 C ATOM 755 C GLY A 51 -8.245 -14.961 2.619 1.00 0.00 C ATOM 756 O GLY A 51 -7.175 -14.764 2.076 1.00 0.00 O ATOM 0 H GLY A 51 -7.706 -18.092 2.157 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.788 -16.407 3.067 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.274 -16.701 3.901 1.00 0.00 H new ATOM 760 N PRO A 52 -9.075 -14.013 2.957 1.00 0.00 N ATOM 761 CA PRO A 52 -8.753 -12.590 2.691 1.00 0.00 C ATOM 762 C PRO A 52 -7.606 -12.129 3.590 1.00 0.00 C ATOM 763 O PRO A 52 -7.816 -11.529 4.625 1.00 0.00 O ATOM 764 CB PRO A 52 -10.049 -11.859 3.032 1.00 0.00 C ATOM 765 CG PRO A 52 -10.755 -12.761 3.993 1.00 0.00 C ATOM 766 CD PRO A 52 -10.375 -14.170 3.620 1.00 0.00 C ATOM 0 HA PRO A 52 -8.427 -12.405 1.667 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.848 -10.885 3.478 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.650 -11.683 2.140 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.462 -12.539 5.019 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.834 -12.622 3.933 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.302 -14.811 4.498 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -11.112 -14.621 2.956 1.00 0.00 H new ATOM 774 N GLY A 53 -6.393 -12.407 3.201 1.00 0.00 N ATOM 775 CA GLY A 53 -5.230 -11.990 4.030 1.00 0.00 C ATOM 776 C GLY A 53 -4.192 -13.114 4.052 1.00 0.00 C ATOM 777 O GLY A 53 -3.017 -12.876 4.231 1.00 0.00 O ATOM 0 H GLY A 53 -6.157 -12.906 2.343 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.788 -11.080 3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.556 -11.761 5.045 1.00 0.00 H new ATOM 781 N VAL A 54 -4.618 -14.336 3.873 1.00 0.00 N ATOM 782 CA VAL A 54 -3.652 -15.474 3.880 1.00 0.00 C ATOM 783 C VAL A 54 -2.701 -15.368 2.687 1.00 0.00 C ATOM 784 O VAL A 54 -1.503 -15.511 2.824 1.00 0.00 O ATOM 785 CB VAL A 54 -4.516 -16.731 3.770 1.00 0.00 C ATOM 786 CG1 VAL A 54 -3.619 -17.956 3.571 1.00 0.00 C ATOM 787 CG2 VAL A 54 -5.335 -16.902 5.051 1.00 0.00 C ATOM 0 H VAL A 54 -5.593 -14.596 3.722 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.034 -15.484 4.778 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.189 -16.633 2.918 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.237 -18.851 3.493 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.037 -17.836 2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.944 -18.055 4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.951 -17.798 4.972 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.662 -16.998 5.903 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.977 -16.032 5.192 1.00 0.00 H new ATOM 797 N GLN A 55 -3.224 -15.115 1.519 1.00 0.00 N ATOM 798 CA GLN A 55 -2.337 -15.000 0.329 1.00 0.00 C ATOM 799 C GLN A 55 -1.466 -13.758 0.479 1.00 0.00 C ATOM 800 O GLN A 55 -0.307 -13.750 0.110 1.00 0.00 O ATOM 801 CB GLN A 55 -3.279 -14.864 -0.869 1.00 0.00 C ATOM 802 CG GLN A 55 -2.460 -14.598 -2.135 1.00 0.00 C ATOM 803 CD GLN A 55 -2.843 -15.614 -3.214 1.00 0.00 C ATOM 804 OE1 GLN A 55 -3.359 -15.249 -4.252 1.00 0.00 O ATOM 805 NE2 GLN A 55 -2.610 -16.882 -3.012 1.00 0.00 N ATOM 0 H GLN A 55 -4.219 -14.984 1.338 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.674 -15.857 0.210 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.867 -15.774 -0.988 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.983 -14.049 -0.701 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.643 -13.585 -2.493 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.395 -14.670 -1.914 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.177 -17.188 -2.141 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.861 -17.567 -3.725 1.00 0.00 H new ATOM 814 N ASP A 56 -2.004 -12.716 1.045 1.00 0.00 N ATOM 815 CA ASP A 56 -1.196 -11.491 1.249 1.00 0.00 C ATOM 816 C ASP A 56 -0.094 -11.799 2.261 1.00 0.00 C ATOM 817 O ASP A 56 0.999 -11.270 2.191 1.00 0.00 O ATOM 818 CB ASP A 56 -2.174 -10.461 1.804 1.00 0.00 C ATOM 819 CG ASP A 56 -2.630 -9.530 0.679 1.00 0.00 C ATOM 820 OD1 ASP A 56 -1.838 -8.700 0.266 1.00 0.00 O ATOM 821 OD2 ASP A 56 -3.765 -9.663 0.249 1.00 0.00 O ATOM 0 H ASP A 56 -2.968 -12.663 1.374 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.719 -11.129 0.338 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.035 -10.963 2.246 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.699 -9.884 2.598 1.00 0.00 H new ATOM 826 N CYS A 57 -0.369 -12.676 3.192 1.00 0.00 N ATOM 827 CA CYS A 57 0.666 -13.041 4.194 1.00 0.00 C ATOM 828 C CYS A 57 1.802 -13.777 3.488 1.00 0.00 C ATOM 829 O CYS A 57 2.963 -13.463 3.658 1.00 0.00 O ATOM 830 CB CYS A 57 -0.040 -13.957 5.194 1.00 0.00 C ATOM 831 SG CYS A 57 1.104 -14.418 6.524 1.00 0.00 S ATOM 0 H CYS A 57 -1.265 -13.152 3.298 1.00 0.00 H new ATOM 0 HA CYS A 57 1.096 -12.174 4.695 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.911 -13.452 5.611 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.402 -14.852 4.688 1.00 0.00 H new ATOM 836 N MET A 58 1.471 -14.748 2.680 1.00 0.00 N ATOM 837 CA MET A 58 2.528 -15.491 1.946 1.00 0.00 C ATOM 838 C MET A 58 3.216 -14.551 0.956 1.00 0.00 C ATOM 839 O MET A 58 4.348 -14.761 0.569 1.00 0.00 O ATOM 840 CB MET A 58 1.794 -16.597 1.194 1.00 0.00 C ATOM 841 CG MET A 58 1.045 -17.491 2.183 1.00 0.00 C ATOM 842 SD MET A 58 0.569 -19.031 1.359 1.00 0.00 S ATOM 843 CE MET A 58 -0.170 -18.288 -0.116 1.00 0.00 C ATOM 0 H MET A 58 0.516 -15.056 2.499 1.00 0.00 H new ATOM 0 HA MET A 58 3.292 -15.892 2.612 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.093 -16.161 0.482 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.504 -17.191 0.619 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.676 -17.707 3.045 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.160 -16.977 2.557 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.808 -19.020 -0.612 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.767 -17.423 0.173 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.619 -17.973 -0.799 1.00 0.00 H new ATOM 853 N LYS A 59 2.540 -13.509 0.551 1.00 0.00 N ATOM 854 CA LYS A 59 3.159 -12.552 -0.406 1.00 0.00 C ATOM 855 C LYS A 59 4.347 -11.872 0.268 1.00 0.00 C ATOM 856 O LYS A 59 5.420 -11.773 -0.294 1.00 0.00 O ATOM 857 CB LYS A 59 2.061 -11.535 -0.720 1.00 0.00 C ATOM 858 CG LYS A 59 2.260 -10.991 -2.137 1.00 0.00 C ATOM 859 CD LYS A 59 0.986 -10.281 -2.599 1.00 0.00 C ATOM 860 CE LYS A 59 1.281 -9.482 -3.871 1.00 0.00 C ATOM 861 NZ LYS A 59 0.490 -10.154 -4.939 1.00 0.00 N ATOM 0 H LYS A 59 1.589 -13.281 0.841 1.00 0.00 H new ATOM 0 HA LYS A 59 3.525 -13.034 -1.312 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.081 -12.004 -0.633 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.089 -10.719 0.002 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.102 -10.298 -2.156 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.502 -11.806 -2.819 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.199 -11.010 -2.789 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.622 -9.617 -1.815 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.987 -8.438 -3.759 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.346 -9.490 -4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.640 -9.663 -5.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.797 -11.144 -5.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.520 -10.125 -4.693 1.00 0.00 H new ATOM 875 N LYS A 60 4.169 -11.421 1.477 1.00 0.00 N ATOM 876 CA LYS A 60 5.294 -10.766 2.197 1.00 0.00 C ATOM 877 C LYS A 60 6.362 -11.810 2.534 1.00 0.00 C ATOM 878 O LYS A 60 7.538 -11.514 2.588 1.00 0.00 O ATOM 879 CB LYS A 60 4.670 -10.192 3.471 1.00 0.00 C ATOM 880 CG LYS A 60 5.753 -9.510 4.312 1.00 0.00 C ATOM 881 CD LYS A 60 6.446 -8.430 3.480 1.00 0.00 C ATOM 882 CE LYS A 60 7.584 -7.814 4.297 1.00 0.00 C ATOM 883 NZ LYS A 60 8.172 -6.770 3.409 1.00 0.00 N ATOM 0 H LYS A 60 3.294 -11.478 1.997 1.00 0.00 H new ATOM 0 HA LYS A 60 5.779 -9.989 1.606 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.890 -9.476 3.215 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.196 -10.987 4.046 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.310 -9.067 5.204 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.482 -10.246 4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.837 -8.860 2.558 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.730 -7.660 3.194 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.214 -7.380 5.226 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.326 -8.565 4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.960 -6.301 3.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.522 -7.214 2.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.444 -6.066 3.172 1.00 0.00 H new ATOM 897 N LEU A 61 5.959 -13.036 2.755 1.00 0.00 N ATOM 898 CA LEU A 61 6.954 -14.099 3.081 1.00 0.00 C ATOM 899 C LEU A 61 7.688 -14.539 1.812 1.00 0.00 C ATOM 900 O LEU A 61 8.545 -15.398 1.844 1.00 0.00 O ATOM 901 CB LEU A 61 6.131 -15.254 3.654 1.00 0.00 C ATOM 902 CG LEU A 61 6.649 -15.612 5.048 1.00 0.00 C ATOM 903 CD1 LEU A 61 6.771 -14.340 5.890 1.00 0.00 C ATOM 904 CD2 LEU A 61 5.672 -16.578 5.722 1.00 0.00 C ATOM 0 H LEU A 61 4.987 -13.345 2.724 1.00 0.00 H new ATOM 0 HA LEU A 61 7.712 -13.754 3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.079 -14.973 3.707 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.196 -16.121 2.997 1.00 0.00 H new ATOM 0 HG LEU A 61 7.627 -16.085 4.962 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.140 -14.595 6.883 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.467 -13.651 5.410 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.793 -13.866 5.977 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.040 -16.834 6.715 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.694 -16.105 5.808 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.585 -17.484 5.123 1.00 0.00 H new ATOM 916 N LYS A 62 7.356 -13.955 0.695 1.00 0.00 N ATOM 917 CA LYS A 62 8.031 -14.338 -0.576 1.00 0.00 C ATOM 918 C LYS A 62 9.545 -14.152 -0.451 1.00 0.00 C ATOM 919 O LYS A 62 10.007 -13.212 0.165 1.00 0.00 O ATOM 920 CB LYS A 62 7.456 -13.388 -1.627 1.00 0.00 C ATOM 921 CG LYS A 62 6.019 -13.802 -1.951 1.00 0.00 C ATOM 922 CD LYS A 62 6.018 -14.712 -3.179 1.00 0.00 C ATOM 923 CE LYS A 62 4.630 -15.331 -3.357 1.00 0.00 C ATOM 924 NZ LYS A 62 4.789 -16.316 -4.463 1.00 0.00 N ATOM 0 H LYS A 62 6.646 -13.228 0.607 1.00 0.00 H new ATOM 0 HA LYS A 62 7.864 -15.384 -0.835 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.477 -12.363 -1.257 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.066 -13.414 -2.530 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.578 -14.321 -1.100 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.408 -12.919 -2.138 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.290 -14.142 -4.067 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.765 -15.497 -3.063 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.293 -15.816 -2.441 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.888 -14.573 -3.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.878 -16.783 -4.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.104 -15.824 -5.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.496 -17.029 -4.194 1.00 0.00 H new ATOM 938 N PRO A 63 10.267 -15.064 -1.043 1.00 0.00 N ATOM 939 CA PRO A 63 11.748 -15.010 -0.999 1.00 0.00 C ATOM 940 C PRO A 63 12.273 -13.899 -1.913 1.00 0.00 C ATOM 941 O PRO A 63 11.907 -13.805 -3.068 1.00 0.00 O ATOM 942 CB PRO A 63 12.172 -16.383 -1.511 1.00 0.00 C ATOM 943 CG PRO A 63 11.027 -16.855 -2.353 1.00 0.00 C ATOM 944 CD PRO A 63 9.776 -16.220 -1.800 1.00 0.00 C ATOM 0 HA PRO A 63 12.139 -14.792 -0.005 1.00 0.00 H new ATOM 0 HB2 PRO A 63 13.091 -16.320 -2.094 1.00 0.00 H new ATOM 0 HB3 PRO A 63 12.364 -17.069 -0.686 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.174 -16.572 -3.395 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.951 -17.942 -2.325 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.098 -15.916 -2.597 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.227 -16.911 -1.161 1.00 0.00 H new ATOM 952 N TYR A 64 13.130 -13.058 -1.403 1.00 0.00 N ATOM 953 CA TYR A 64 13.683 -11.955 -2.238 1.00 0.00 C ATOM 954 C TYR A 64 15.213 -11.993 -2.208 1.00 0.00 C ATOM 955 O TYR A 64 15.870 -10.971 -2.201 1.00 0.00 O ATOM 956 CB TYR A 64 13.167 -10.671 -1.589 1.00 0.00 C ATOM 957 CG TYR A 64 12.002 -10.136 -2.386 1.00 0.00 C ATOM 958 CD1 TYR A 64 10.712 -10.631 -2.158 1.00 0.00 C ATOM 959 CD2 TYR A 64 12.210 -9.146 -3.353 1.00 0.00 C ATOM 960 CE1 TYR A 64 9.631 -10.135 -2.897 1.00 0.00 C ATOM 961 CE2 TYR A 64 11.130 -8.651 -4.093 1.00 0.00 C ATOM 962 CZ TYR A 64 9.840 -9.146 -3.864 1.00 0.00 C ATOM 963 OH TYR A 64 8.775 -8.657 -4.594 1.00 0.00 O ATOM 0 H TYR A 64 13.472 -13.087 -0.442 1.00 0.00 H new ATOM 0 HA TYR A 64 13.381 -12.033 -3.282 1.00 0.00 H new ATOM 0 HB2 TYR A 64 12.859 -10.869 -0.562 1.00 0.00 H new ATOM 0 HB3 TYR A 64 13.963 -9.928 -1.545 1.00 0.00 H new ATOM 0 HD1 TYR A 64 10.551 -11.395 -1.412 1.00 0.00 H new ATOM 0 HD2 TYR A 64 13.205 -8.764 -3.528 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.636 -10.516 -2.720 1.00 0.00 H new ATOM 0 HE2 TYR A 64 11.291 -7.888 -4.840 1.00 0.00 H new ATOM 0 HH TYR A 64 9.094 -7.975 -5.221 1.00 0.00 H new ATOM 973 N SER A 65 15.783 -13.166 -2.188 1.00 0.00 N ATOM 974 CA SER A 65 17.270 -13.273 -2.155 1.00 0.00 C ATOM 975 C SER A 65 17.776 -14.008 -3.399 1.00 0.00 C ATOM 976 O SER A 65 17.373 -15.119 -3.684 1.00 0.00 O ATOM 977 CB SER A 65 17.578 -14.080 -0.893 1.00 0.00 C ATOM 978 OG SER A 65 16.620 -13.772 0.110 1.00 0.00 O ATOM 0 H SER A 65 15.284 -14.056 -2.193 1.00 0.00 H new ATOM 0 HA SER A 65 17.755 -12.297 -2.145 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.557 -15.147 -1.116 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.582 -13.849 -0.536 1.00 0.00 H new ATOM 0 HG SER A 65 16.815 -14.290 0.919 1.00 0.00 H new ATOM 984 N ILE A 66 18.657 -13.397 -4.142 1.00 0.00 N ATOM 985 CA ILE A 66 19.189 -14.060 -5.367 1.00 0.00 C ATOM 986 C ILE A 66 20.721 -14.040 -5.356 1.00 0.00 C ATOM 987 O ILE A 66 21.277 -13.253 -4.610 1.00 0.00 O ATOM 988 CB ILE A 66 18.649 -13.229 -6.532 1.00 0.00 C ATOM 989 CG1 ILE A 66 18.989 -13.919 -7.855 1.00 0.00 C ATOM 990 CG2 ILE A 66 19.289 -11.839 -6.503 1.00 0.00 C ATOM 991 CD1 ILE A 66 18.315 -15.293 -7.901 1.00 0.00 C ATOM 992 OXT ILE A 66 21.309 -14.812 -6.096 1.00 0.00 O ATOM 0 H ILE A 66 19.032 -12.467 -3.954 1.00 0.00 H new ATOM 0 HA ILE A 66 18.886 -15.105 -5.437 1.00 0.00 H new ATOM 0 HB ILE A 66 17.567 -13.135 -6.441 1.00 0.00 H new ATOM 0 HG12 ILE A 66 18.652 -13.309 -8.693 1.00 0.00 H new ATOM 0 HG13 ILE A 66 20.069 -14.028 -7.954 1.00 0.00 H new ATOM 0 HG21 ILE A 66 18.906 -11.245 -7.332 1.00 0.00 H new ATOM 0 HG22 ILE A 66 19.047 -11.346 -5.561 1.00 0.00 H new ATOM 0 HG23 ILE A 66 20.371 -11.935 -6.595 1.00 0.00 H new ATOM 0 HD11 ILE A 66 18.556 -15.785 -8.843 1.00 0.00 H new ATOM 0 HD12 ILE A 66 18.673 -15.902 -7.071 1.00 0.00 H new ATOM 0 HD13 ILE A 66 17.235 -15.171 -7.822 1.00 0.00 H new TER 1004 ILE A 66