USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 635 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 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -49:sc= 1.11 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot -21:sc= -0.34 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HE2:sc= -2.95! C(o=-2.9!,f=-5.6!) USER MOD Single : A 33 THR OG1 : rot 169:sc= -2.05 USER MOD Single : A 36 GLN : amide:sc= -0.193 K(o=-0.19,f=-1.5!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.02 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -1.35 K(o=-1.3,f=-5.3!) USER MOD Single : A 66 ASN : amide:sc= -0.0335 K(o=-0.033,f=-1) USER MOD Single : A 67 MET CE :methyl -154:sc= -0.68 (180deg=-1.84!) USER MOD Single : A 68 ASN : amide:sc= -0.16 X(o=-0.16,f=-0.082) USER MOD Single : A 70 SER OG : rot 133:sc= 0.19 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.62) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 1.242 26.911 -4.183 1.00 0.00 N ATOM 2 CA GLY A -2 0.616 25.570 -4.349 1.00 0.00 C ATOM 3 C GLY A -2 0.977 24.621 -3.223 1.00 0.00 C ATOM 4 O GLY A -2 2.150 24.463 -2.887 1.00 0.00 O ATOM 0 H1 GLY A -2 0.966 27.524 -4.977 1.00 0.00 H new ATOM 0 H2 GLY A -2 0.921 27.336 -3.290 1.00 0.00 H new ATOM 0 H3 GLY A -2 2.277 26.811 -4.167 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -0.467 25.681 -4.394 1.00 0.00 H new ATOM 0 HA3 GLY A -2 0.932 25.139 -5.299 1.00 0.00 H new ATOM 10 N SER A -1 -0.036 23.986 -2.640 1.00 0.00 N ATOM 11 CA SER A -1 0.177 23.047 -1.545 1.00 0.00 C ATOM 12 C SER A -1 -0.463 21.699 -1.857 1.00 0.00 C ATOM 13 O SER A -1 -1.679 21.601 -2.017 1.00 0.00 O ATOM 14 CB SER A -1 -0.396 23.610 -0.245 1.00 0.00 C ATOM 15 OG SER A -1 -0.302 25.025 -0.217 1.00 0.00 O ATOM 0 H SER A -1 -1.013 24.105 -2.908 1.00 0.00 H new ATOM 0 HA SER A -1 1.250 22.901 -1.425 1.00 0.00 H new ATOM 0 HB2 SER A -1 -1.439 23.309 -0.143 1.00 0.00 H new ATOM 0 HB3 SER A -1 0.141 23.190 0.605 1.00 0.00 H new ATOM 0 HG SER A -1 -0.677 25.361 0.624 1.00 0.00 H new ATOM 21 N THR A 3 0.365 20.663 -1.944 1.00 0.00 N ATOM 22 CA THR A 3 -0.120 19.320 -2.238 1.00 0.00 C ATOM 23 C THR A 3 -0.684 18.659 -0.987 1.00 0.00 C ATOM 24 O THR A 3 -0.123 18.787 0.102 1.00 0.00 O ATOM 25 CB THR A 3 1.012 18.462 -2.811 1.00 0.00 C ATOM 26 OG1 THR A 3 2.052 18.305 -1.861 1.00 0.00 O ATOM 27 CG2 THR A 3 1.624 19.041 -4.069 1.00 0.00 C ATOM 0 H THR A 3 1.375 20.728 -1.815 1.00 0.00 H new ATOM 0 HA THR A 3 -0.918 19.403 -2.976 1.00 0.00 H new ATOM 0 HB THR A 3 0.553 17.504 -3.057 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.765 17.753 -2.245 1.00 0.00 H new ATOM 0 HG21 THR A 3 2.419 18.384 -4.422 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.858 19.130 -4.839 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.037 20.026 -3.853 1.00 0.00 H new ATOM 35 N THR A 4 -1.792 17.944 -1.149 1.00 0.00 N ATOM 36 CA THR A 4 -2.423 17.254 -0.029 1.00 0.00 C ATOM 37 C THR A 4 -1.945 15.805 0.049 1.00 0.00 C ATOM 38 O THR A 4 -2.741 14.881 0.222 1.00 0.00 O ATOM 39 CB THR A 4 -3.952 17.307 -0.145 1.00 0.00 C ATOM 40 OG1 THR A 4 -4.555 16.584 0.913 1.00 0.00 O ATOM 41 CG2 THR A 4 -4.490 16.749 -1.445 1.00 0.00 C ATOM 0 H THR A 4 -2.271 17.827 -2.042 1.00 0.00 H new ATOM 0 HA THR A 4 -2.132 17.765 0.889 1.00 0.00 H new ATOM 0 HB THR A 4 -4.202 18.367 -0.103 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.134 15.702 0.988 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.578 16.822 -1.450 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.084 17.319 -2.281 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.196 15.704 -1.542 1.00 0.00 H new ATOM 49 N LYS A 5 -0.632 15.622 -0.074 1.00 0.00 N ATOM 50 CA LYS A 5 -0.024 14.297 -0.010 1.00 0.00 C ATOM 51 C LYS A 5 -0.534 13.390 -1.125 1.00 0.00 C ATOM 52 O LYS A 5 -1.593 13.636 -1.702 1.00 0.00 O ATOM 53 CB LYS A 5 -0.295 13.658 1.351 1.00 0.00 C ATOM 54 CG LYS A 5 0.643 14.137 2.444 1.00 0.00 C ATOM 55 CD LYS A 5 0.212 15.480 3.010 1.00 0.00 C ATOM 56 CE LYS A 5 1.310 16.106 3.854 1.00 0.00 C ATOM 57 NZ LYS A 5 0.761 16.881 4.999 1.00 0.00 N ATOM 0 H LYS A 5 0.034 16.381 -0.219 1.00 0.00 H new ATOM 0 HA LYS A 5 1.051 14.419 -0.144 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.322 13.872 1.646 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -0.209 12.575 1.258 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.675 13.398 3.245 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.654 14.218 2.045 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.050 16.153 2.194 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.685 15.350 3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.969 15.323 4.229 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.917 16.762 3.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.544 17.291 5.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.152 17.644 4.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.203 16.250 5.609 1.00 0.00 H new ATOM 71 N ARG A 6 0.229 12.341 -1.425 1.00 0.00 N ATOM 72 CA ARG A 6 -0.146 11.399 -2.470 1.00 0.00 C ATOM 73 C ARG A 6 0.337 9.992 -2.138 1.00 0.00 C ATOM 74 O ARG A 6 0.418 9.135 -3.016 1.00 0.00 O ATOM 75 CB ARG A 6 0.435 11.836 -3.816 1.00 0.00 C ATOM 76 CG ARG A 6 0.065 13.255 -4.216 1.00 0.00 C ATOM 77 CD ARG A 6 0.891 13.739 -5.398 1.00 0.00 C ATOM 78 NE ARG A 6 1.844 14.773 -5.005 1.00 0.00 N ATOM 79 CZ ARG A 6 2.982 15.021 -5.651 1.00 0.00 C ATOM 80 NH1 ARG A 6 3.312 14.322 -6.729 1.00 0.00 N ATOM 81 NH2 ARG A 6 3.792 15.977 -5.215 1.00 0.00 N ATOM 0 H ARG A 6 1.110 12.124 -0.958 1.00 0.00 H new ATOM 0 HA ARG A 6 -1.234 11.388 -2.533 1.00 0.00 H new ATOM 0 HB2 ARG A 6 1.521 11.752 -3.776 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.090 11.150 -4.589 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.994 13.297 -4.470 1.00 0.00 H new ATOM 0 HG3 ARG A 6 0.216 13.923 -3.368 1.00 0.00 H new ATOM 0 HD2 ARG A 6 1.428 12.897 -5.836 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.228 14.130 -6.169 1.00 0.00 H new ATOM 0 HE ARG A 6 1.625 15.340 -4.186 1.00 0.00 H new ATOM 0 HH11 ARG A 6 2.692 13.587 -7.070 1.00 0.00 H new ATOM 0 HH12 ARG A 6 4.186 14.519 -7.217 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.542 16.519 -4.388 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.664 16.170 -5.707 1.00 0.00 H new ATOM 95 N VAL A 7 0.660 9.755 -0.868 1.00 0.00 N ATOM 96 CA VAL A 7 1.136 8.445 -0.434 1.00 0.00 C ATOM 97 C VAL A 7 0.239 7.873 0.655 1.00 0.00 C ATOM 98 O VAL A 7 -0.064 8.547 1.639 1.00 0.00 O ATOM 99 CB VAL A 7 2.585 8.500 0.097 1.00 0.00 C ATOM 100 CG1 VAL A 7 3.285 7.174 -0.148 1.00 0.00 C ATOM 101 CG2 VAL A 7 3.362 9.639 -0.544 1.00 0.00 C ATOM 0 H VAL A 7 0.601 10.451 -0.125 1.00 0.00 H new ATOM 0 HA VAL A 7 1.109 7.802 -1.314 1.00 0.00 H new ATOM 0 HB VAL A 7 2.546 8.685 1.171 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.306 7.226 0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.747 6.378 0.367 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.305 6.965 -1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.378 9.653 -0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.393 9.496 -1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.873 10.586 -0.317 1.00 0.00 H new ATOM 111 N LEU A 8 -0.189 6.627 0.475 1.00 0.00 N ATOM 112 CA LEU A 8 -1.057 5.976 1.450 1.00 0.00 C ATOM 113 C LEU A 8 -0.389 4.734 2.032 1.00 0.00 C ATOM 114 O LEU A 8 0.462 4.117 1.389 1.00 0.00 O ATOM 115 CB LEU A 8 -2.390 5.603 0.803 1.00 0.00 C ATOM 116 CG LEU A 8 -2.915 6.612 -0.222 1.00 0.00 C ATOM 117 CD1 LEU A 8 -4.258 6.159 -0.776 1.00 0.00 C ATOM 118 CD2 LEU A 8 -3.027 7.997 0.403 1.00 0.00 C ATOM 0 H LEU A 8 0.049 6.051 -0.332 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.241 6.677 2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.282 4.634 0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.137 5.483 1.588 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.207 6.667 -1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.616 6.888 -1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.143 5.189 -1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.978 6.075 0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.402 8.702 -0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.715 7.960 1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.045 8.321 0.748 1.00 0.00 H new ATOM 130 N TYR A 9 -0.779 4.367 3.252 1.00 0.00 N ATOM 131 CA TYR A 9 -0.210 3.194 3.914 1.00 0.00 C ATOM 132 C TYR A 9 -1.229 2.066 3.995 1.00 0.00 C ATOM 133 O TYR A 9 -2.379 2.290 4.356 1.00 0.00 O ATOM 134 CB TYR A 9 0.268 3.553 5.327 1.00 0.00 C ATOM 135 CG TYR A 9 1.149 2.493 5.957 1.00 0.00 C ATOM 136 CD1 TYR A 9 0.678 1.202 6.173 1.00 0.00 C ATOM 137 CD2 TYR A 9 2.456 2.781 6.329 1.00 0.00 C ATOM 138 CE1 TYR A 9 1.481 0.234 6.738 1.00 0.00 C ATOM 139 CE2 TYR A 9 3.268 1.816 6.893 1.00 0.00 C ATOM 140 CZ TYR A 9 2.776 0.543 7.094 1.00 0.00 C ATOM 141 OH TYR A 9 3.580 -0.422 7.655 1.00 0.00 O ATOM 0 H TYR A 9 -1.483 4.862 3.800 1.00 0.00 H new ATOM 0 HA TYR A 9 0.640 2.858 3.320 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.817 4.494 5.288 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.601 3.718 5.965 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -0.335 0.953 5.893 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.844 3.777 6.175 1.00 0.00 H new ATOM 0 HE1 TYR A 9 1.097 -0.762 6.901 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.282 2.057 7.175 1.00 0.00 H new ATOM 0 HH TYR A 9 3.022 -1.132 8.036 1.00 0.00 H new ATOM 151 N VAL A 10 -0.797 0.846 3.687 1.00 0.00 N ATOM 152 CA VAL A 10 -1.683 -0.308 3.757 1.00 0.00 C ATOM 153 C VAL A 10 -1.300 -1.202 4.933 1.00 0.00 C ATOM 154 O VAL A 10 -0.158 -1.650 5.039 1.00 0.00 O ATOM 155 CB VAL A 10 -1.647 -1.136 2.459 1.00 0.00 C ATOM 156 CG1 VAL A 10 -2.702 -2.231 2.500 1.00 0.00 C ATOM 157 CG2 VAL A 10 -1.838 -0.242 1.240 1.00 0.00 C ATOM 0 H VAL A 10 0.155 0.633 3.389 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.695 0.072 3.895 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.667 -1.607 2.378 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.664 -2.808 1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.510 -2.890 3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.689 -1.781 2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.809 -0.849 0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.801 0.263 1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.041 0.500 1.205 1.00 0.00 H new ATOM 167 N GLY A 11 -2.260 -1.448 5.821 1.00 0.00 N ATOM 168 CA GLY A 11 -2.005 -2.277 6.987 1.00 0.00 C ATOM 169 C GLY A 11 -2.962 -3.450 7.093 1.00 0.00 C ATOM 170 O GLY A 11 -4.179 -3.270 7.106 1.00 0.00 O ATOM 0 H GLY A 11 -3.212 -1.087 5.754 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.982 -2.651 6.945 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.085 -1.666 7.886 1.00 0.00 H new ATOM 174 N GLY A 12 -2.405 -4.656 7.147 1.00 0.00 N ATOM 175 CA GLY A 12 -3.212 -5.856 7.229 1.00 0.00 C ATOM 176 C GLY A 12 -3.097 -6.624 5.943 1.00 0.00 C ATOM 177 O GLY A 12 -4.094 -6.996 5.324 1.00 0.00 O ATOM 0 H GLY A 12 -1.399 -4.822 7.135 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.882 -6.473 8.065 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.253 -5.595 7.418 1.00 0.00 H new ATOM 181 N LEU A 13 -1.857 -6.805 5.518 1.00 0.00 N ATOM 182 CA LEU A 13 -1.562 -7.469 4.266 1.00 0.00 C ATOM 183 C LEU A 13 -1.020 -8.884 4.456 1.00 0.00 C ATOM 184 O LEU A 13 -0.937 -9.399 5.572 1.00 0.00 O ATOM 185 CB LEU A 13 -0.523 -6.647 3.514 1.00 0.00 C ATOM 186 CG LEU A 13 -1.026 -5.378 2.825 1.00 0.00 C ATOM 187 CD1 LEU A 13 0.136 -4.607 2.209 1.00 0.00 C ATOM 188 CD2 LEU A 13 -2.075 -5.705 1.766 1.00 0.00 C ATOM 0 H LEU A 13 -1.032 -6.496 6.032 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.496 -7.549 3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.263 -6.366 4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.063 -7.286 2.760 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.497 -4.750 3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.241 -3.707 1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.843 -4.328 2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.638 -5.234 1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.414 -4.783 1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.639 -6.361 1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.922 -6.205 2.235 1.00 0.00 H new ATOM 200 N ALA A 14 -0.634 -9.485 3.333 1.00 0.00 N ATOM 201 CA ALA A 14 -0.071 -10.824 3.307 1.00 0.00 C ATOM 202 C ALA A 14 1.010 -10.908 2.230 1.00 0.00 C ATOM 203 O ALA A 14 1.117 -10.025 1.383 1.00 0.00 O ATOM 204 CB ALA A 14 -1.164 -11.844 3.046 1.00 0.00 C ATOM 0 H ALA A 14 -0.705 -9.051 2.413 1.00 0.00 H new ATOM 0 HA ALA A 14 0.380 -11.043 4.275 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.731 -12.844 3.028 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.912 -11.786 3.837 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.635 -11.635 2.085 1.00 0.00 H new ATOM 210 N GLU A 15 1.807 -11.966 2.261 1.00 0.00 N ATOM 211 CA GLU A 15 2.877 -12.146 1.277 1.00 0.00 C ATOM 212 C GLU A 15 2.355 -12.009 -0.154 1.00 0.00 C ATOM 213 O GLU A 15 3.113 -11.701 -1.075 1.00 0.00 O ATOM 214 CB GLU A 15 3.523 -13.519 1.451 1.00 0.00 C ATOM 215 CG GLU A 15 2.520 -14.631 1.725 1.00 0.00 C ATOM 216 CD GLU A 15 2.706 -15.832 0.818 1.00 0.00 C ATOM 217 OE1 GLU A 15 3.139 -15.643 -0.338 1.00 0.00 O ATOM 218 OE2 GLU A 15 2.416 -16.962 1.264 1.00 0.00 O ATOM 0 H GLU A 15 1.738 -12.713 2.952 1.00 0.00 H new ATOM 0 HA GLU A 15 3.616 -11.364 1.448 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.087 -13.763 0.551 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.238 -13.474 2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.613 -14.949 2.763 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.510 -14.241 1.600 1.00 0.00 H new ATOM 225 N GLU A 16 1.064 -12.264 -0.334 1.00 0.00 N ATOM 226 CA GLU A 16 0.437 -12.200 -1.655 1.00 0.00 C ATOM 227 C GLU A 16 0.477 -10.795 -2.251 1.00 0.00 C ATOM 228 O GLU A 16 0.683 -10.632 -3.455 1.00 0.00 O ATOM 229 CB GLU A 16 -1.023 -12.675 -1.592 1.00 0.00 C ATOM 230 CG GLU A 16 -1.329 -13.610 -0.433 1.00 0.00 C ATOM 231 CD GLU A 16 -2.417 -14.610 -0.765 1.00 0.00 C ATOM 232 OE1 GLU A 16 -3.378 -14.233 -1.465 1.00 0.00 O ATOM 233 OE2 GLU A 16 -2.308 -15.774 -0.323 1.00 0.00 O ATOM 0 H GLU A 16 0.426 -12.518 0.420 1.00 0.00 H new ATOM 0 HA GLU A 16 1.015 -12.862 -2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.673 -11.803 -1.521 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.269 -13.181 -2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.422 -14.145 -0.153 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.633 -13.022 0.433 1.00 0.00 H new ATOM 240 N VAL A 17 0.250 -9.786 -1.421 1.00 0.00 N ATOM 241 CA VAL A 17 0.231 -8.413 -1.889 1.00 0.00 C ATOM 242 C VAL A 17 1.612 -7.909 -2.269 1.00 0.00 C ATOM 243 O VAL A 17 2.619 -8.240 -1.643 1.00 0.00 O ATOM 244 CB VAL A 17 -0.366 -7.462 -0.842 1.00 0.00 C ATOM 245 CG1 VAL A 17 0.565 -7.342 0.350 1.00 0.00 C ATOM 246 CG2 VAL A 17 -0.649 -6.094 -1.452 1.00 0.00 C ATOM 0 H VAL A 17 0.077 -9.895 -0.422 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.399 -8.419 -2.779 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.314 -7.876 -0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.130 -6.665 1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.707 -8.324 0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.528 -6.951 0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.072 -5.437 -0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.279 -5.664 -1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.358 -6.201 -2.273 1.00 0.00 H new ATOM 256 N ASP A 18 1.623 -7.099 -3.306 1.00 0.00 N ATOM 257 CA ASP A 18 2.835 -6.504 -3.828 1.00 0.00 C ATOM 258 C ASP A 18 2.498 -5.225 -4.582 1.00 0.00 C ATOM 259 O ASP A 18 1.329 -4.881 -4.751 1.00 0.00 O ATOM 260 CB ASP A 18 3.551 -7.493 -4.749 1.00 0.00 C ATOM 261 CG ASP A 18 4.125 -8.673 -3.988 1.00 0.00 C ATOM 262 OD1 ASP A 18 4.745 -8.449 -2.926 1.00 0.00 O ATOM 263 OD2 ASP A 18 3.952 -9.819 -4.449 1.00 0.00 O ATOM 0 H ASP A 18 0.781 -6.832 -3.816 1.00 0.00 H new ATOM 0 HA ASP A 18 3.499 -6.259 -2.999 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.853 -7.855 -5.504 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.354 -6.979 -5.278 1.00 0.00 H new ATOM 268 N ASP A 19 3.520 -4.530 -5.044 1.00 0.00 N ATOM 269 CA ASP A 19 3.325 -3.297 -5.788 1.00 0.00 C ATOM 270 C ASP A 19 2.560 -3.572 -7.069 1.00 0.00 C ATOM 271 O ASP A 19 1.855 -2.710 -7.585 1.00 0.00 O ATOM 272 CB ASP A 19 4.668 -2.640 -6.110 1.00 0.00 C ATOM 273 CG ASP A 19 5.595 -3.563 -6.876 1.00 0.00 C ATOM 274 OD1 ASP A 19 6.000 -4.600 -6.310 1.00 0.00 O ATOM 275 OD2 ASP A 19 5.917 -3.248 -8.040 1.00 0.00 O ATOM 0 H ASP A 19 4.496 -4.798 -4.918 1.00 0.00 H new ATOM 0 HA ASP A 19 2.745 -2.612 -5.169 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.496 -1.736 -6.694 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.151 -2.333 -5.182 1.00 0.00 H new ATOM 280 N LYS A 20 2.727 -4.782 -7.584 1.00 0.00 N ATOM 281 CA LYS A 20 2.080 -5.191 -8.819 1.00 0.00 C ATOM 282 C LYS A 20 0.561 -5.257 -8.672 1.00 0.00 C ATOM 283 O LYS A 20 -0.174 -4.723 -9.500 1.00 0.00 O ATOM 284 CB LYS A 20 2.639 -6.552 -9.244 1.00 0.00 C ATOM 285 CG LYS A 20 2.102 -7.732 -8.441 1.00 0.00 C ATOM 286 CD LYS A 20 2.940 -8.989 -8.655 1.00 0.00 C ATOM 287 CE LYS A 20 2.226 -10.011 -9.532 1.00 0.00 C ATOM 288 NZ LYS A 20 2.000 -11.300 -8.816 1.00 0.00 N ATOM 0 H LYS A 20 3.311 -5.502 -7.160 1.00 0.00 H new ATOM 0 HA LYS A 20 2.291 -4.445 -9.586 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.411 -6.712 -10.298 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.725 -6.530 -9.152 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.093 -7.477 -7.381 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.070 -7.929 -8.730 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.890 -8.717 -9.116 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.171 -9.439 -7.689 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.269 -9.604 -9.857 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.816 -10.194 -10.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.512 -11.967 -9.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.915 -11.702 -8.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.415 -11.131 -7.973 1.00 0.00 H new ATOM 302 N VAL A 21 0.099 -5.901 -7.608 1.00 0.00 N ATOM 303 CA VAL A 21 -1.333 -6.017 -7.351 1.00 0.00 C ATOM 304 C VAL A 21 -1.900 -4.688 -6.900 1.00 0.00 C ATOM 305 O VAL A 21 -2.956 -4.259 -7.354 1.00 0.00 O ATOM 306 CB VAL A 21 -1.660 -7.100 -6.304 1.00 0.00 C ATOM 307 CG1 VAL A 21 -1.408 -6.599 -4.896 1.00 0.00 C ATOM 308 CG2 VAL A 21 -3.104 -7.564 -6.455 1.00 0.00 C ATOM 0 H VAL A 21 0.692 -6.350 -6.910 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.796 -6.316 -8.291 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.998 -7.948 -6.479 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.648 -7.386 -4.181 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.359 -6.321 -4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.035 -5.729 -4.702 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.320 -8.329 -5.709 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.775 -6.717 -6.312 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.251 -7.978 -7.452 1.00 0.00 H new ATOM 318 N LEU A 22 -1.172 -4.044 -5.996 1.00 0.00 N ATOM 319 CA LEU A 22 -1.584 -2.755 -5.464 1.00 0.00 C ATOM 320 C LEU A 22 -1.685 -1.755 -6.598 1.00 0.00 C ATOM 321 O LEU A 22 -2.559 -0.891 -6.605 1.00 0.00 O ATOM 322 CB LEU A 22 -0.585 -2.263 -4.414 1.00 0.00 C ATOM 323 CG LEU A 22 -0.721 -2.915 -3.031 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.647 -3.158 -2.412 1.00 0.00 C ATOM 325 CD2 LEU A 22 -1.572 -2.060 -2.102 1.00 0.00 C ATOM 0 H LEU A 22 -0.293 -4.395 -5.617 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.557 -2.861 -4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.425 -2.440 -4.784 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.699 -1.185 -4.303 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.219 -3.875 -3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.526 -3.621 -1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.226 -3.819 -3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.171 -2.208 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.651 -2.547 -1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.108 -1.081 -1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.568 -1.939 -2.529 1.00 0.00 H new ATOM 337 N HIS A 23 -0.801 -1.896 -7.576 1.00 0.00 N ATOM 338 CA HIS A 23 -0.817 -1.018 -8.727 1.00 0.00 C ATOM 339 C HIS A 23 -2.126 -1.190 -9.489 1.00 0.00 C ATOM 340 O HIS A 23 -2.860 -0.234 -9.711 1.00 0.00 O ATOM 341 CB HIS A 23 0.363 -1.347 -9.642 1.00 0.00 C ATOM 342 CG HIS A 23 1.423 -0.288 -9.662 1.00 0.00 C ATOM 343 ND1 HIS A 23 2.662 -0.447 -9.076 1.00 0.00 N ATOM 344 CD2 HIS A 23 1.424 0.952 -10.208 1.00 0.00 C ATOM 345 CE1 HIS A 23 3.377 0.649 -9.260 1.00 0.00 C ATOM 346 NE2 HIS A 23 2.649 1.511 -9.945 1.00 0.00 N ATOM 0 H HIS A 23 -0.070 -2.607 -7.592 1.00 0.00 H new ATOM 0 HA HIS A 23 -0.733 0.016 -8.392 1.00 0.00 H new ATOM 0 HB2 HIS A 23 0.809 -2.289 -9.321 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.006 -1.498 -10.656 1.00 0.00 H new ATOM 0 HD1 HIS A 23 2.977 -1.280 -8.579 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.612 1.414 -10.749 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.385 0.812 -8.910 1.00 0.00 H new ATOM 355 N ALA A 24 -2.405 -2.431 -9.871 1.00 0.00 N ATOM 356 CA ALA A 24 -3.621 -2.770 -10.602 1.00 0.00 C ATOM 357 C ALA A 24 -4.880 -2.595 -9.753 1.00 0.00 C ATOM 358 O ALA A 24 -5.936 -2.216 -10.262 1.00 0.00 O ATOM 359 CB ALA A 24 -3.531 -4.196 -11.123 1.00 0.00 C ATOM 0 H ALA A 24 -1.797 -3.228 -9.684 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.702 -2.077 -11.439 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.442 -4.443 -11.668 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.674 -4.286 -11.790 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.412 -4.883 -10.285 1.00 0.00 H new ATOM 365 N ALA A 25 -4.772 -2.900 -8.464 1.00 0.00 N ATOM 366 CA ALA A 25 -5.910 -2.799 -7.556 1.00 0.00 C ATOM 367 C ALA A 25 -6.208 -1.363 -7.171 1.00 0.00 C ATOM 368 O ALA A 25 -7.368 -0.990 -6.996 1.00 0.00 O ATOM 369 CB ALA A 25 -5.673 -3.624 -6.301 1.00 0.00 C ATOM 0 H ALA A 25 -3.909 -3.219 -8.024 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.775 -3.191 -8.091 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.534 -3.534 -5.638 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.533 -4.670 -6.574 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.782 -3.260 -5.789 1.00 0.00 H new ATOM 375 N PHE A 26 -5.168 -0.561 -7.020 1.00 0.00 N ATOM 376 CA PHE A 26 -5.353 0.825 -6.634 1.00 0.00 C ATOM 377 C PHE A 26 -5.403 1.752 -7.850 1.00 0.00 C ATOM 378 O PHE A 26 -5.732 2.931 -7.717 1.00 0.00 O ATOM 379 CB PHE A 26 -4.258 1.248 -5.660 1.00 0.00 C ATOM 380 CG PHE A 26 -4.346 0.542 -4.330 1.00 0.00 C ATOM 381 CD1 PHE A 26 -4.272 -0.846 -4.245 1.00 0.00 C ATOM 382 CD2 PHE A 26 -4.497 1.271 -3.164 1.00 0.00 C ATOM 383 CE1 PHE A 26 -4.351 -1.480 -3.019 1.00 0.00 C ATOM 384 CE2 PHE A 26 -4.576 0.639 -1.939 1.00 0.00 C ATOM 385 CZ PHE A 26 -4.503 -0.737 -1.866 1.00 0.00 C ATOM 0 H PHE A 26 -4.197 -0.842 -7.157 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.317 0.911 -6.133 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.284 1.048 -6.107 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.319 2.324 -5.498 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.152 -1.432 -5.144 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.554 2.348 -3.213 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.294 -2.557 -2.964 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.695 1.222 -1.038 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.565 -1.232 -0.908 1.00 0.00 H new ATOM 395 N ILE A 27 -5.092 1.224 -9.037 1.00 0.00 N ATOM 396 CA ILE A 27 -5.131 2.035 -10.250 1.00 0.00 C ATOM 397 C ILE A 27 -6.548 2.547 -10.538 1.00 0.00 C ATOM 398 O ILE A 27 -6.713 3.700 -10.936 1.00 0.00 O ATOM 399 CB ILE A 27 -4.556 1.296 -11.488 1.00 0.00 C ATOM 400 CG1 ILE A 27 -3.992 2.309 -12.480 1.00 0.00 C ATOM 401 CG2 ILE A 27 -5.581 0.403 -12.171 1.00 0.00 C ATOM 402 CD1 ILE A 27 -2.529 2.608 -12.253 1.00 0.00 C ATOM 0 H ILE A 27 -4.815 0.253 -9.180 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.484 2.892 -10.061 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.759 0.643 -11.132 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.126 1.930 -13.493 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.562 3.235 -12.408 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.122 -0.087 -13.029 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.933 -0.351 -11.467 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.424 1.007 -12.506 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.188 3.335 -12.990 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.392 3.015 -11.251 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.950 1.690 -12.354 1.00 0.00 H new ATOM 414 N PRO A 28 -7.608 1.722 -10.332 1.00 0.00 N ATOM 415 CA PRO A 28 -8.983 2.170 -10.575 1.00 0.00 C ATOM 416 C PRO A 28 -9.321 3.368 -9.704 1.00 0.00 C ATOM 417 O PRO A 28 -9.918 4.339 -10.167 1.00 0.00 O ATOM 418 CB PRO A 28 -9.843 0.959 -10.191 1.00 0.00 C ATOM 419 CG PRO A 28 -8.968 0.129 -9.320 1.00 0.00 C ATOM 420 CD PRO A 28 -7.575 0.328 -9.843 1.00 0.00 C ATOM 0 HA PRO A 28 -9.144 2.489 -11.605 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.746 1.267 -9.665 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.162 0.405 -11.074 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -9.044 0.440 -8.278 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.256 -0.921 -9.361 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.826 0.190 -9.063 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.338 -0.376 -10.641 1.00 0.00 H new ATOM 428 N PHE A 29 -8.906 3.302 -8.441 1.00 0.00 N ATOM 429 CA PHE A 29 -9.139 4.393 -7.505 1.00 0.00 C ATOM 430 C PHE A 29 -8.220 5.563 -7.834 1.00 0.00 C ATOM 431 O PHE A 29 -8.507 6.709 -7.488 1.00 0.00 O ATOM 432 CB PHE A 29 -8.899 3.945 -6.057 1.00 0.00 C ATOM 433 CG PHE A 29 -9.184 2.491 -5.795 1.00 0.00 C ATOM 434 CD1 PHE A 29 -10.365 1.910 -6.226 1.00 0.00 C ATOM 435 CD2 PHE A 29 -8.270 1.711 -5.107 1.00 0.00 C ATOM 436 CE1 PHE A 29 -10.625 0.574 -5.979 1.00 0.00 C ATOM 437 CE2 PHE A 29 -8.522 0.379 -4.856 1.00 0.00 C ATOM 438 CZ PHE A 29 -9.703 -0.193 -5.292 1.00 0.00 C ATOM 0 H PHE A 29 -8.408 2.505 -8.045 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.180 4.702 -7.601 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.861 4.151 -5.794 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -9.521 4.548 -5.396 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -11.090 2.506 -6.760 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.347 2.152 -4.762 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.548 0.131 -6.323 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -7.798 -0.217 -4.320 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.904 -1.236 -5.096 1.00 0.00 H new ATOM 448 N GLY A 30 -7.108 5.260 -8.501 1.00 0.00 N ATOM 449 CA GLY A 30 -6.156 6.284 -8.867 1.00 0.00 C ATOM 450 C GLY A 30 -4.884 5.688 -9.426 1.00 0.00 C ATOM 451 O GLY A 30 -4.328 4.753 -8.855 1.00 0.00 O ATOM 0 H GLY A 30 -6.853 4.317 -8.794 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.602 6.949 -9.606 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.920 6.891 -7.993 1.00 0.00 H new ATOM 455 N ASP A 31 -4.425 6.224 -10.550 1.00 0.00 N ATOM 456 CA ASP A 31 -3.217 5.720 -11.183 1.00 0.00 C ATOM 457 C ASP A 31 -2.005 5.916 -10.292 1.00 0.00 C ATOM 458 O ASP A 31 -1.487 7.022 -10.149 1.00 0.00 O ATOM 459 CB ASP A 31 -2.988 6.390 -12.535 1.00 0.00 C ATOM 460 CG ASP A 31 -4.256 6.495 -13.357 1.00 0.00 C ATOM 461 OD1 ASP A 31 -5.069 5.546 -13.317 1.00 0.00 O ATOM 462 OD2 ASP A 31 -4.437 7.523 -14.043 1.00 0.00 O ATOM 0 H ASP A 31 -4.869 7.002 -11.038 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.355 4.651 -11.343 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.579 7.388 -12.377 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.243 5.825 -13.095 1.00 0.00 H new ATOM 467 N ILE A 32 -1.562 4.820 -9.702 1.00 0.00 N ATOM 468 CA ILE A 32 -0.409 4.831 -8.820 1.00 0.00 C ATOM 469 C ILE A 32 0.839 5.292 -9.564 1.00 0.00 C ATOM 470 O ILE A 32 0.992 5.047 -10.761 1.00 0.00 O ATOM 471 CB ILE A 32 -0.177 3.421 -8.240 1.00 0.00 C ATOM 472 CG1 ILE A 32 -1.413 2.975 -7.464 1.00 0.00 C ATOM 473 CG2 ILE A 32 1.064 3.358 -7.353 1.00 0.00 C ATOM 474 CD1 ILE A 32 -2.343 2.110 -8.278 1.00 0.00 C ATOM 0 H ILE A 32 -1.989 3.901 -9.820 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.606 5.530 -8.008 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.004 2.742 -9.075 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.099 2.425 -6.577 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.955 3.855 -7.118 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.185 2.345 -6.968 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.943 3.632 -7.937 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.951 4.052 -6.520 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.202 1.826 -7.670 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.685 2.665 -9.152 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.815 1.213 -8.602 1.00 0.00 H new ATOM 486 N THR A 33 1.730 5.952 -8.841 1.00 0.00 N ATOM 487 CA THR A 33 2.972 6.445 -9.412 1.00 0.00 C ATOM 488 C THR A 33 4.154 5.699 -8.834 1.00 0.00 C ATOM 489 O THR A 33 5.153 5.473 -9.516 1.00 0.00 O ATOM 490 CB THR A 33 3.130 7.928 -9.133 1.00 0.00 C ATOM 491 OG1 THR A 33 1.880 8.525 -8.839 1.00 0.00 O ATOM 492 CG2 THR A 33 3.751 8.693 -10.282 1.00 0.00 C ATOM 0 H THR A 33 1.614 6.160 -7.849 1.00 0.00 H new ATOM 0 HA THR A 33 2.937 6.282 -10.489 1.00 0.00 H new ATOM 0 HB THR A 33 3.802 7.987 -8.276 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.023 9.430 -8.492 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.834 9.746 -10.015 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.743 8.292 -10.492 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.124 8.592 -11.168 1.00 0.00 H new ATOM 500 N ASP A 34 4.041 5.327 -7.570 1.00 0.00 N ATOM 501 CA ASP A 34 5.110 4.617 -6.910 1.00 0.00 C ATOM 502 C ASP A 34 4.582 3.751 -5.767 1.00 0.00 C ATOM 503 O ASP A 34 3.587 4.082 -5.126 1.00 0.00 O ATOM 504 CB ASP A 34 6.156 5.605 -6.385 1.00 0.00 C ATOM 505 CG ASP A 34 7.410 5.629 -7.239 1.00 0.00 C ATOM 506 OD1 ASP A 34 7.785 4.562 -7.768 1.00 0.00 O ATOM 507 OD2 ASP A 34 8.015 6.713 -7.375 1.00 0.00 O ATOM 0 H ASP A 34 3.223 5.506 -6.988 1.00 0.00 H new ATOM 0 HA ASP A 34 5.576 3.958 -7.642 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.723 6.605 -6.352 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.422 5.339 -5.362 1.00 0.00 H new ATOM 512 N ILE A 35 5.267 2.646 -5.510 1.00 0.00 N ATOM 513 CA ILE A 35 4.882 1.747 -4.435 1.00 0.00 C ATOM 514 C ILE A 35 6.121 1.171 -3.767 1.00 0.00 C ATOM 515 O ILE A 35 6.954 0.543 -4.418 1.00 0.00 O ATOM 516 CB ILE A 35 3.981 0.599 -4.930 1.00 0.00 C ATOM 517 CG1 ILE A 35 2.829 1.154 -5.774 1.00 0.00 C ATOM 518 CG2 ILE A 35 3.447 -0.198 -3.745 1.00 0.00 C ATOM 519 CD1 ILE A 35 1.851 0.095 -6.241 1.00 0.00 C ATOM 0 H ILE A 35 6.092 2.352 -6.032 1.00 0.00 H new ATOM 0 HA ILE A 35 4.309 2.332 -3.715 1.00 0.00 H new ATOM 0 HB ILE A 35 4.573 -0.069 -5.556 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.291 1.901 -5.191 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.241 1.665 -6.644 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.812 -1.006 -4.107 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.281 -0.616 -3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.866 0.458 -3.097 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.064 0.562 -6.832 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.375 -0.640 -6.851 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.410 -0.400 -5.376 1.00 0.00 H new ATOM 531 N GLN A 36 6.252 1.410 -2.467 1.00 0.00 N ATOM 532 CA GLN A 36 7.410 0.934 -1.721 1.00 0.00 C ATOM 533 C GLN A 36 7.013 -0.035 -0.616 1.00 0.00 C ATOM 534 O GLN A 36 6.175 0.276 0.231 1.00 0.00 O ATOM 535 CB GLN A 36 8.174 2.119 -1.123 1.00 0.00 C ATOM 536 CG GLN A 36 9.388 2.539 -1.940 1.00 0.00 C ATOM 537 CD GLN A 36 9.307 3.978 -2.414 1.00 0.00 C ATOM 538 OE1 GLN A 36 8.628 4.806 -1.806 1.00 0.00 O ATOM 539 NE2 GLN A 36 10.001 4.281 -3.503 1.00 0.00 N ATOM 0 H GLN A 36 5.573 1.929 -1.910 1.00 0.00 H new ATOM 0 HA GLN A 36 8.053 0.398 -2.419 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.497 2.968 -1.032 1.00 0.00 H new ATOM 0 HB3 GLN A 36 8.497 1.860 -0.115 1.00 0.00 H new ATOM 0 HG2 GLN A 36 10.288 2.409 -1.339 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.484 1.881 -2.804 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.550 3.562 -3.974 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.986 5.233 -3.869 1.00 0.00 H new ATOM 548 N ILE A 37 7.647 -1.201 -0.620 1.00 0.00 N ATOM 549 CA ILE A 37 7.394 -2.216 0.390 1.00 0.00 C ATOM 550 C ILE A 37 8.646 -2.413 1.244 1.00 0.00 C ATOM 551 O ILE A 37 9.643 -2.950 0.770 1.00 0.00 O ATOM 552 CB ILE A 37 6.994 -3.560 -0.250 1.00 0.00 C ATOM 553 CG1 ILE A 37 5.784 -3.368 -1.171 1.00 0.00 C ATOM 554 CG2 ILE A 37 6.696 -4.594 0.826 1.00 0.00 C ATOM 555 CD1 ILE A 37 6.148 -3.295 -2.639 1.00 0.00 C ATOM 0 H ILE A 37 8.344 -1.466 -1.316 1.00 0.00 H new ATOM 0 HA ILE A 37 6.566 -1.874 1.012 1.00 0.00 H new ATOM 0 HB ILE A 37 7.828 -3.925 -0.849 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.087 -4.192 -1.018 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.263 -2.453 -0.888 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.415 -5.537 0.357 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.583 -4.745 1.441 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.876 -4.242 1.452 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.244 -3.159 -3.232 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.821 -2.454 -2.806 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.642 -4.220 -2.938 1.00 0.00 H new ATOM 567 N PRO A 38 8.624 -1.953 2.507 1.00 0.00 N ATOM 568 CA PRO A 38 9.776 -2.063 3.405 1.00 0.00 C ATOM 569 C PRO A 38 9.923 -3.444 4.034 1.00 0.00 C ATOM 570 O PRO A 38 8.937 -4.087 4.396 1.00 0.00 O ATOM 571 CB PRO A 38 9.465 -1.024 4.477 1.00 0.00 C ATOM 572 CG PRO A 38 7.981 -1.028 4.559 1.00 0.00 C ATOM 573 CD PRO A 38 7.489 -1.265 3.156 1.00 0.00 C ATOM 0 HA PRO A 38 10.716 -1.906 2.876 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.919 -1.288 5.432 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.847 -0.041 4.203 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.630 -1.809 5.233 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.609 -0.080 4.948 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.588 -1.878 3.144 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.245 -0.330 2.652 1.00 0.00 H new ATOM 581 N LEU A 39 11.169 -3.881 4.170 1.00 0.00 N ATOM 582 CA LEU A 39 11.476 -5.175 4.767 1.00 0.00 C ATOM 583 C LEU A 39 12.796 -5.104 5.539 1.00 0.00 C ATOM 584 O LEU A 39 13.314 -4.015 5.787 1.00 0.00 O ATOM 585 CB LEU A 39 11.526 -6.270 3.691 1.00 0.00 C ATOM 586 CG LEU A 39 12.100 -5.869 2.324 1.00 0.00 C ATOM 587 CD1 LEU A 39 11.057 -5.138 1.492 1.00 0.00 C ATOM 588 CD2 LEU A 39 13.362 -5.029 2.470 1.00 0.00 C ATOM 0 H LEU A 39 11.989 -3.353 3.872 1.00 0.00 H new ATOM 0 HA LEU A 39 10.683 -5.431 5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 39 12.117 -7.100 4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.513 -6.643 3.538 1.00 0.00 H new ATOM 0 HG LEU A 39 12.374 -6.786 1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.487 -4.864 0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.197 -5.788 1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.739 -4.237 2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.739 -4.764 1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 39 13.132 -4.120 3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 39 14.119 -5.601 3.006 1.00 0.00 H new ATOM 600 N ASP A 40 13.339 -6.256 5.919 1.00 0.00 N ATOM 601 CA ASP A 40 14.596 -6.298 6.660 1.00 0.00 C ATOM 602 C ASP A 40 15.760 -5.846 5.784 1.00 0.00 C ATOM 603 O ASP A 40 15.727 -5.991 4.564 1.00 0.00 O ATOM 604 CB ASP A 40 14.857 -7.713 7.180 1.00 0.00 C ATOM 605 CG ASP A 40 13.849 -8.138 8.229 1.00 0.00 C ATOM 606 OD1 ASP A 40 12.667 -7.752 8.108 1.00 0.00 O ATOM 607 OD2 ASP A 40 14.240 -8.857 9.172 1.00 0.00 O ATOM 0 H ASP A 40 12.930 -7.171 5.727 1.00 0.00 H new ATOM 0 HA ASP A 40 14.513 -5.615 7.505 1.00 0.00 H new ATOM 0 HB2 ASP A 40 14.828 -8.415 6.346 1.00 0.00 H new ATOM 0 HB3 ASP A 40 15.860 -7.762 7.603 1.00 0.00 H new ATOM 612 N TYR A 41 16.792 -5.293 6.409 1.00 0.00 N ATOM 613 CA TYR A 41 17.959 -4.826 5.670 1.00 0.00 C ATOM 614 C TYR A 41 18.933 -5.971 5.397 1.00 0.00 C ATOM 615 O TYR A 41 19.809 -5.858 4.539 1.00 0.00 O ATOM 616 CB TYR A 41 18.667 -3.703 6.435 1.00 0.00 C ATOM 617 CG TYR A 41 19.031 -4.058 7.861 1.00 0.00 C ATOM 618 CD1 TYR A 41 18.137 -3.841 8.903 1.00 0.00 C ATOM 619 CD2 TYR A 41 20.275 -4.598 8.166 1.00 0.00 C ATOM 620 CE1 TYR A 41 18.469 -4.155 10.208 1.00 0.00 C ATOM 621 CE2 TYR A 41 20.615 -4.915 9.469 1.00 0.00 C ATOM 622 CZ TYR A 41 19.710 -4.692 10.484 1.00 0.00 C ATOM 623 OH TYR A 41 20.046 -5.005 11.782 1.00 0.00 O ATOM 0 H TYR A 41 16.845 -5.157 7.419 1.00 0.00 H new ATOM 0 HA TYR A 41 17.613 -4.436 4.713 1.00 0.00 H new ATOM 0 HB2 TYR A 41 19.575 -3.429 5.898 1.00 0.00 H new ATOM 0 HB3 TYR A 41 18.024 -2.823 6.444 1.00 0.00 H new ATOM 0 HD1 TYR A 41 17.166 -3.420 8.690 1.00 0.00 H new ATOM 0 HD2 TYR A 41 20.987 -4.773 7.373 1.00 0.00 H new ATOM 0 HE1 TYR A 41 17.762 -3.981 11.006 1.00 0.00 H new ATOM 0 HE2 TYR A 41 21.585 -5.335 9.690 1.00 0.00 H new ATOM 0 HH TYR A 41 20.953 -5.374 11.805 1.00 0.00 H new ATOM 633 N GLU A 42 18.784 -7.067 6.137 1.00 0.00 N ATOM 634 CA GLU A 42 19.661 -8.223 5.976 1.00 0.00 C ATOM 635 C GLU A 42 18.919 -9.405 5.361 1.00 0.00 C ATOM 636 O GLU A 42 19.496 -10.180 4.598 1.00 0.00 O ATOM 637 CB GLU A 42 20.249 -8.620 7.330 1.00 0.00 C ATOM 638 CG GLU A 42 21.538 -7.887 7.668 1.00 0.00 C ATOM 639 CD GLU A 42 22.088 -8.272 9.027 1.00 0.00 C ATOM 640 OE1 GLU A 42 21.875 -9.429 9.448 1.00 0.00 O ATOM 641 OE2 GLU A 42 22.733 -7.418 9.670 1.00 0.00 O ATOM 0 H GLU A 42 18.066 -7.179 6.853 1.00 0.00 H new ATOM 0 HA GLU A 42 20.466 -7.945 5.296 1.00 0.00 H new ATOM 0 HB2 GLU A 42 19.513 -8.423 8.109 1.00 0.00 H new ATOM 0 HB3 GLU A 42 20.438 -9.693 7.335 1.00 0.00 H new ATOM 0 HG2 GLU A 42 22.285 -8.102 6.904 1.00 0.00 H new ATOM 0 HG3 GLU A 42 21.358 -6.812 7.644 1.00 0.00 H new ATOM 648 N THR A 43 17.641 -9.546 5.702 1.00 0.00 N ATOM 649 CA THR A 43 16.828 -10.645 5.185 1.00 0.00 C ATOM 650 C THR A 43 15.748 -10.143 4.222 1.00 0.00 C ATOM 651 O THR A 43 15.004 -10.939 3.652 1.00 0.00 O ATOM 652 CB THR A 43 16.184 -11.412 6.343 1.00 0.00 C ATOM 653 OG1 THR A 43 15.947 -10.551 7.446 1.00 0.00 O ATOM 654 CG2 THR A 43 17.027 -12.570 6.835 1.00 0.00 C ATOM 0 H THR A 43 17.146 -8.915 6.332 1.00 0.00 H new ATOM 0 HA THR A 43 17.486 -11.313 4.629 1.00 0.00 H new ATOM 0 HB THR A 43 15.250 -11.808 5.944 1.00 0.00 H new ATOM 0 HG1 THR A 43 15.534 -11.059 8.175 1.00 0.00 H new ATOM 0 HG21 THR A 43 16.514 -13.071 7.656 1.00 0.00 H new ATOM 0 HG22 THR A 43 17.185 -13.277 6.020 1.00 0.00 H new ATOM 0 HG23 THR A 43 17.990 -12.197 7.184 1.00 0.00 H new ATOM 662 N GLU A 44 15.669 -8.818 4.055 1.00 0.00 N ATOM 663 CA GLU A 44 14.682 -8.192 3.168 1.00 0.00 C ATOM 664 C GLU A 44 13.356 -8.945 3.153 1.00 0.00 C ATOM 665 O GLU A 44 12.811 -9.247 2.092 1.00 0.00 O ATOM 666 CB GLU A 44 15.236 -8.060 1.745 1.00 0.00 C ATOM 667 CG GLU A 44 15.331 -9.375 0.986 1.00 0.00 C ATOM 668 CD GLU A 44 16.386 -9.340 -0.101 1.00 0.00 C ATOM 669 OE1 GLU A 44 17.579 -9.180 0.231 1.00 0.00 O ATOM 670 OE2 GLU A 44 16.019 -9.473 -1.287 1.00 0.00 O ATOM 0 H GLU A 44 16.282 -8.154 4.527 1.00 0.00 H new ATOM 0 HA GLU A 44 14.486 -7.197 3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.602 -7.374 1.183 1.00 0.00 H new ATOM 0 HB3 GLU A 44 16.227 -7.610 1.794 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.560 -10.179 1.685 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.363 -9.606 0.541 1.00 0.00 H new ATOM 677 N LYS A 45 12.834 -9.232 4.341 1.00 0.00 N ATOM 678 CA LYS A 45 11.566 -9.936 4.467 1.00 0.00 C ATOM 679 C LYS A 45 10.522 -9.056 5.145 1.00 0.00 C ATOM 680 O LYS A 45 10.587 -8.808 6.348 1.00 0.00 O ATOM 681 CB LYS A 45 11.752 -11.236 5.255 1.00 0.00 C ATOM 682 CG LYS A 45 12.448 -11.050 6.594 1.00 0.00 C ATOM 683 CD LYS A 45 12.346 -12.301 7.451 1.00 0.00 C ATOM 684 CE LYS A 45 11.090 -12.288 8.314 1.00 0.00 C ATOM 685 NZ LYS A 45 11.398 -11.989 9.741 1.00 0.00 N ATOM 0 H LYS A 45 13.271 -8.987 5.230 1.00 0.00 H new ATOM 0 HA LYS A 45 11.213 -10.179 3.465 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.776 -11.690 5.424 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.329 -11.936 4.651 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.497 -10.805 6.429 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.003 -10.207 7.123 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.339 -13.182 6.810 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.226 -12.378 8.089 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.393 -11.543 7.929 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.592 -13.255 8.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.517 -11.990 10.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.043 -12.714 10.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.850 -11.055 9.810 1.00 0.00 H new ATOM 699 N HIS A 46 9.557 -8.587 4.363 1.00 0.00 N ATOM 700 CA HIS A 46 8.498 -7.736 4.894 1.00 0.00 C ATOM 701 C HIS A 46 7.563 -8.545 5.787 1.00 0.00 C ATOM 702 O HIS A 46 7.770 -9.741 5.998 1.00 0.00 O ATOM 703 CB HIS A 46 7.697 -7.065 3.766 1.00 0.00 C ATOM 704 CG HIS A 46 7.685 -7.827 2.474 1.00 0.00 C ATOM 705 ND1 HIS A 46 8.557 -7.563 1.440 1.00 0.00 N ATOM 706 CD2 HIS A 46 6.900 -8.848 2.052 1.00 0.00 C ATOM 707 CE1 HIS A 46 8.310 -8.386 0.436 1.00 0.00 C ATOM 708 NE2 HIS A 46 7.310 -9.176 0.782 1.00 0.00 N ATOM 0 H HIS A 46 9.485 -8.780 3.364 1.00 0.00 H new ATOM 0 HA HIS A 46 8.970 -6.952 5.486 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.669 -6.926 4.101 1.00 0.00 H new ATOM 0 HB3 HIS A 46 8.110 -6.073 3.584 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.102 -9.316 2.609 1.00 0.00 H new ATOM 0 HE1 HIS A 46 8.836 -8.409 -0.507 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.907 -9.911 0.201 1.00 0.00 H new ATOM 717 N ARG A 47 6.529 -7.891 6.299 1.00 0.00 N ATOM 718 CA ARG A 47 5.554 -8.554 7.159 1.00 0.00 C ATOM 719 C ARG A 47 4.187 -8.563 6.491 1.00 0.00 C ATOM 720 O ARG A 47 3.586 -9.619 6.291 1.00 0.00 O ATOM 721 CB ARG A 47 5.465 -7.848 8.515 1.00 0.00 C ATOM 722 CG ARG A 47 6.810 -7.660 9.196 1.00 0.00 C ATOM 723 CD ARG A 47 6.839 -6.394 10.039 1.00 0.00 C ATOM 724 NE ARG A 47 7.757 -6.512 11.170 1.00 0.00 N ATOM 725 CZ ARG A 47 8.641 -5.577 11.519 1.00 0.00 C ATOM 726 NH1 ARG A 47 8.726 -4.435 10.846 1.00 0.00 N ATOM 727 NH2 ARG A 47 9.442 -5.784 12.555 1.00 0.00 N ATOM 0 H ARG A 47 6.342 -6.902 6.135 1.00 0.00 H new ATOM 0 HA ARG A 47 5.880 -9.582 7.320 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.998 -6.873 8.377 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.813 -8.423 9.172 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.023 -8.523 9.827 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.597 -7.614 8.443 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.137 -5.550 9.416 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.836 -6.180 10.407 1.00 0.00 H new ATOM 0 HE ARG A 47 7.719 -7.365 11.728 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.110 -4.265 10.051 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.407 -3.729 11.124 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.380 -6.656 13.081 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.120 -5.072 12.826 1.00 0.00 H new ATOM 741 N GLY A 48 3.708 -7.376 6.144 1.00 0.00 N ATOM 742 CA GLY A 48 2.420 -7.255 5.496 1.00 0.00 C ATOM 743 C GLY A 48 1.972 -5.820 5.372 1.00 0.00 C ATOM 744 O GLY A 48 0.819 -5.508 5.658 1.00 0.00 O ATOM 0 H GLY A 48 4.192 -6.492 6.301 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.472 -7.704 4.504 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.677 -7.817 6.062 1.00 0.00 H new ATOM 748 N PHE A 49 2.873 -4.946 4.944 1.00 0.00 N ATOM 749 CA PHE A 49 2.534 -3.539 4.788 1.00 0.00 C ATOM 750 C PHE A 49 3.202 -2.948 3.557 1.00 0.00 C ATOM 751 O PHE A 49 4.275 -3.390 3.147 1.00 0.00 O ATOM 752 CB PHE A 49 2.954 -2.777 6.046 1.00 0.00 C ATOM 753 CG PHE A 49 2.508 -3.464 7.303 1.00 0.00 C ATOM 754 CD1 PHE A 49 1.190 -3.845 7.445 1.00 0.00 C ATOM 755 CD2 PHE A 49 3.400 -3.756 8.323 1.00 0.00 C ATOM 756 CE1 PHE A 49 0.757 -4.501 8.573 1.00 0.00 C ATOM 757 CE2 PHE A 49 2.974 -4.417 9.463 1.00 0.00 C ATOM 758 CZ PHE A 49 1.649 -4.791 9.587 1.00 0.00 C ATOM 0 H PHE A 49 3.835 -5.183 4.701 1.00 0.00 H new ATOM 0 HA PHE A 49 1.456 -3.448 4.652 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.039 -2.670 6.058 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.535 -1.771 6.016 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.486 -3.624 6.656 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.436 -3.466 8.228 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.280 -4.789 8.666 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.675 -4.640 10.253 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.312 -5.308 10.473 1.00 0.00 H new ATOM 768 N ALA A 50 2.557 -1.950 2.961 1.00 0.00 N ATOM 769 CA ALA A 50 3.100 -1.312 1.765 1.00 0.00 C ATOM 770 C ALA A 50 2.700 0.156 1.669 1.00 0.00 C ATOM 771 O ALA A 50 1.867 0.642 2.434 1.00 0.00 O ATOM 772 CB ALA A 50 2.645 -2.061 0.524 1.00 0.00 C ATOM 0 H ALA A 50 1.667 -1.568 3.282 1.00 0.00 H new ATOM 0 HA ALA A 50 4.187 -1.350 1.836 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.055 -1.578 -0.363 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.997 -3.091 0.571 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.556 -2.052 0.472 1.00 0.00 H new ATOM 778 N PHE A 51 3.301 0.851 0.707 1.00 0.00 N ATOM 779 CA PHE A 51 3.020 2.265 0.477 1.00 0.00 C ATOM 780 C PHE A 51 2.525 2.475 -0.950 1.00 0.00 C ATOM 781 O PHE A 51 3.177 2.058 -1.905 1.00 0.00 O ATOM 782 CB PHE A 51 4.282 3.102 0.709 1.00 0.00 C ATOM 783 CG PHE A 51 4.387 3.679 2.092 1.00 0.00 C ATOM 784 CD1 PHE A 51 3.780 4.887 2.404 1.00 0.00 C ATOM 785 CD2 PHE A 51 5.102 3.018 3.077 1.00 0.00 C ATOM 786 CE1 PHE A 51 3.884 5.421 3.674 1.00 0.00 C ATOM 787 CE2 PHE A 51 5.209 3.548 4.349 1.00 0.00 C ATOM 788 CZ PHE A 51 4.599 4.751 4.648 1.00 0.00 C ATOM 0 H PHE A 51 3.991 0.454 0.070 1.00 0.00 H new ATOM 0 HA PHE A 51 2.247 2.583 1.177 1.00 0.00 H new ATOM 0 HB2 PHE A 51 5.157 2.481 0.518 1.00 0.00 H new ATOM 0 HB3 PHE A 51 4.304 3.916 -0.016 1.00 0.00 H new ATOM 0 HD1 PHE A 51 3.220 5.415 1.646 1.00 0.00 H new ATOM 0 HD2 PHE A 51 5.581 2.078 2.848 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.407 6.362 3.905 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.769 3.022 5.108 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.681 5.167 5.641 1.00 0.00 H new ATOM 798 N VAL A 52 1.375 3.119 -1.095 1.00 0.00 N ATOM 799 CA VAL A 52 0.812 3.376 -2.413 1.00 0.00 C ATOM 800 C VAL A 52 0.886 4.862 -2.749 1.00 0.00 C ATOM 801 O VAL A 52 0.379 5.698 -2.001 1.00 0.00 O ATOM 802 CB VAL A 52 -0.653 2.899 -2.503 1.00 0.00 C ATOM 803 CG1 VAL A 52 -1.156 2.970 -3.936 1.00 0.00 C ATOM 804 CG2 VAL A 52 -0.788 1.487 -1.955 1.00 0.00 C ATOM 0 H VAL A 52 0.815 3.472 -0.319 1.00 0.00 H new ATOM 0 HA VAL A 52 1.404 2.813 -3.135 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.267 3.563 -1.895 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.191 2.629 -3.976 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.099 3.999 -4.291 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.539 2.333 -4.570 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.827 1.167 -2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.159 0.810 -2.534 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.474 1.470 -0.911 1.00 0.00 H new ATOM 814 N GLU A 53 1.514 5.185 -3.880 1.00 0.00 N ATOM 815 CA GLU A 53 1.644 6.567 -4.312 1.00 0.00 C ATOM 816 C GLU A 53 0.799 6.787 -5.553 1.00 0.00 C ATOM 817 O GLU A 53 0.781 5.950 -6.453 1.00 0.00 O ATOM 818 CB GLU A 53 3.117 6.903 -4.590 1.00 0.00 C ATOM 819 CG GLU A 53 3.333 8.214 -5.334 1.00 0.00 C ATOM 820 CD GLU A 53 4.159 9.210 -4.542 1.00 0.00 C ATOM 821 OE1 GLU A 53 5.210 8.810 -4.000 1.00 0.00 O ATOM 822 OE2 GLU A 53 3.754 10.389 -4.465 1.00 0.00 O ATOM 0 H GLU A 53 1.939 4.505 -4.510 1.00 0.00 H new ATOM 0 HA GLU A 53 1.292 7.229 -3.521 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.653 6.945 -3.642 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.559 6.093 -5.170 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.829 8.010 -6.283 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.365 8.657 -5.569 1.00 0.00 H new ATOM 829 N PHE A 54 0.084 7.902 -5.592 1.00 0.00 N ATOM 830 CA PHE A 54 -0.777 8.211 -6.715 1.00 0.00 C ATOM 831 C PHE A 54 -0.278 9.423 -7.480 1.00 0.00 C ATOM 832 O PHE A 54 0.442 10.266 -6.945 1.00 0.00 O ATOM 833 CB PHE A 54 -2.206 8.444 -6.229 1.00 0.00 C ATOM 834 CG PHE A 54 -2.855 7.203 -5.694 1.00 0.00 C ATOM 835 CD1 PHE A 54 -2.484 6.683 -4.465 1.00 0.00 C ATOM 836 CD2 PHE A 54 -3.834 6.554 -6.424 1.00 0.00 C ATOM 837 CE1 PHE A 54 -3.079 5.537 -3.974 1.00 0.00 C ATOM 838 CE2 PHE A 54 -4.433 5.408 -5.940 1.00 0.00 C ATOM 839 CZ PHE A 54 -4.057 4.899 -4.714 1.00 0.00 C ATOM 0 H PHE A 54 0.086 8.607 -4.855 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.763 7.359 -7.395 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.199 9.207 -5.451 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.804 8.834 -7.052 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.721 7.179 -3.884 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.133 6.948 -7.384 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.781 5.141 -3.015 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.195 4.910 -6.521 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.526 4.004 -4.333 1.00 0.00 H new ATOM 849 N GLU A 55 -0.683 9.504 -8.734 1.00 0.00 N ATOM 850 CA GLU A 55 -0.304 10.614 -9.589 1.00 0.00 C ATOM 851 C GLU A 55 -1.113 11.842 -9.210 1.00 0.00 C ATOM 852 O GLU A 55 -0.649 12.975 -9.331 1.00 0.00 O ATOM 853 CB GLU A 55 -0.536 10.254 -11.059 1.00 0.00 C ATOM 854 CG GLU A 55 0.487 10.867 -12.004 1.00 0.00 C ATOM 855 CD GLU A 55 -0.136 11.388 -13.284 1.00 0.00 C ATOM 856 OE1 GLU A 55 -0.741 10.579 -14.021 1.00 0.00 O ATOM 857 OE2 GLU A 55 -0.021 12.602 -13.549 1.00 0.00 O ATOM 0 H GLU A 55 -1.278 8.810 -9.185 1.00 0.00 H new ATOM 0 HA GLU A 55 0.756 10.828 -9.453 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.514 9.170 -11.167 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.533 10.583 -11.352 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.001 11.683 -11.496 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.241 10.120 -12.250 1.00 0.00 H new ATOM 864 N LEU A 56 -2.335 11.594 -8.752 1.00 0.00 N ATOM 865 CA LEU A 56 -3.239 12.657 -8.349 1.00 0.00 C ATOM 866 C LEU A 56 -3.535 12.565 -6.857 1.00 0.00 C ATOM 867 O LEU A 56 -3.934 11.515 -6.354 1.00 0.00 O ATOM 868 CB LEU A 56 -4.531 12.554 -9.154 1.00 0.00 C ATOM 869 CG LEU A 56 -4.372 12.708 -10.668 1.00 0.00 C ATOM 870 CD1 LEU A 56 -5.677 12.374 -11.374 1.00 0.00 C ATOM 871 CD2 LEU A 56 -3.919 14.116 -11.022 1.00 0.00 C ATOM 0 H LEU A 56 -2.722 10.656 -8.651 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.770 13.621 -8.544 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.991 11.587 -8.950 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.223 13.317 -8.798 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.606 12.010 -11.005 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.548 12.488 -12.450 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.959 11.345 -11.149 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.460 13.049 -11.029 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.812 14.203 -12.103 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.659 14.835 -10.671 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.960 14.320 -10.545 1.00 0.00 H new ATOM 883 N ALA A 57 -3.325 13.667 -6.151 1.00 0.00 N ATOM 884 CA ALA A 57 -3.557 13.709 -4.713 1.00 0.00 C ATOM 885 C ALA A 57 -4.997 13.348 -4.363 1.00 0.00 C ATOM 886 O ALA A 57 -5.245 12.599 -3.419 1.00 0.00 O ATOM 887 CB ALA A 57 -3.208 15.084 -4.169 1.00 0.00 C ATOM 0 H ALA A 57 -2.994 14.545 -6.551 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.911 12.965 -4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.385 15.105 -3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.158 15.299 -4.369 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.830 15.836 -4.654 1.00 0.00 H new ATOM 893 N GLU A 58 -5.944 13.886 -5.124 1.00 0.00 N ATOM 894 CA GLU A 58 -7.357 13.616 -4.886 1.00 0.00 C ATOM 895 C GLU A 58 -7.678 12.140 -5.107 1.00 0.00 C ATOM 896 O GLU A 58 -8.576 11.588 -4.471 1.00 0.00 O ATOM 897 CB GLU A 58 -8.227 14.488 -5.795 1.00 0.00 C ATOM 898 CG GLU A 58 -9.483 15.008 -5.115 1.00 0.00 C ATOM 899 CD GLU A 58 -9.716 16.485 -5.361 1.00 0.00 C ATOM 900 OE1 GLU A 58 -9.391 16.960 -6.470 1.00 0.00 O ATOM 901 OE2 GLU A 58 -10.223 17.166 -4.446 1.00 0.00 O ATOM 0 H GLU A 58 -5.759 14.510 -5.909 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.577 13.860 -3.847 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.637 15.334 -6.147 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.512 13.911 -6.675 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.344 14.444 -5.473 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.410 14.830 -4.042 1.00 0.00 H new ATOM 908 N ASP A 59 -6.941 11.509 -6.014 1.00 0.00 N ATOM 909 CA ASP A 59 -7.149 10.100 -6.321 1.00 0.00 C ATOM 910 C ASP A 59 -6.835 9.222 -5.112 1.00 0.00 C ATOM 911 O ASP A 59 -7.510 8.222 -4.867 1.00 0.00 O ATOM 912 CB ASP A 59 -6.299 9.684 -7.516 1.00 0.00 C ATOM 913 CG ASP A 59 -7.044 9.833 -8.828 1.00 0.00 C ATOM 914 OD1 ASP A 59 -7.021 10.941 -9.404 1.00 0.00 O ATOM 915 OD2 ASP A 59 -7.658 8.843 -9.278 1.00 0.00 O ATOM 0 H ASP A 59 -6.194 11.952 -6.549 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.200 9.962 -6.575 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.393 10.289 -7.544 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.986 8.647 -7.394 1.00 0.00 H new ATOM 920 N ALA A 60 -5.802 9.593 -4.364 1.00 0.00 N ATOM 921 CA ALA A 60 -5.407 8.828 -3.187 1.00 0.00 C ATOM 922 C ALA A 60 -6.557 8.739 -2.188 1.00 0.00 C ATOM 923 O ALA A 60 -6.848 7.667 -1.661 1.00 0.00 O ATOM 924 CB ALA A 60 -4.182 9.452 -2.538 1.00 0.00 C ATOM 0 H ALA A 60 -5.226 10.414 -4.550 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.155 7.816 -3.504 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.899 8.870 -1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.357 9.460 -3.250 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.411 10.474 -2.237 1.00 0.00 H new ATOM 930 N ALA A 61 -7.220 9.867 -1.948 1.00 0.00 N ATOM 931 CA ALA A 61 -8.348 9.910 -1.021 1.00 0.00 C ATOM 932 C ALA A 61 -9.386 8.856 -1.388 1.00 0.00 C ATOM 933 O ALA A 61 -10.044 8.283 -0.520 1.00 0.00 O ATOM 934 CB ALA A 61 -8.980 11.295 -1.019 1.00 0.00 C ATOM 0 H ALA A 61 -6.996 10.763 -2.382 1.00 0.00 H new ATOM 0 HA ALA A 61 -7.977 9.694 -0.019 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.819 11.311 -0.323 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.239 12.033 -0.711 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.335 11.534 -2.021 1.00 0.00 H new ATOM 940 N ALA A 62 -9.522 8.602 -2.681 1.00 0.00 N ATOM 941 CA ALA A 62 -10.472 7.610 -3.165 1.00 0.00 C ATOM 942 C ALA A 62 -10.023 6.219 -2.748 1.00 0.00 C ATOM 943 O ALA A 62 -10.817 5.431 -2.239 1.00 0.00 O ATOM 944 CB ALA A 62 -10.620 7.695 -4.676 1.00 0.00 C ATOM 0 H ALA A 62 -8.987 9.068 -3.414 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.447 7.814 -2.722 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.334 6.945 -5.014 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.978 8.687 -4.951 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.654 7.514 -5.147 1.00 0.00 H new ATOM 950 N ALA A 63 -8.733 5.940 -2.924 1.00 0.00 N ATOM 951 CA ALA A 63 -8.175 4.657 -2.523 1.00 0.00 C ATOM 952 C ALA A 63 -8.323 4.509 -1.016 1.00 0.00 C ATOM 953 O ALA A 63 -8.544 3.418 -0.492 1.00 0.00 O ATOM 954 CB ALA A 63 -6.712 4.560 -2.938 1.00 0.00 C ATOM 0 H ALA A 63 -8.060 6.584 -3.340 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.713 3.849 -3.019 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.310 3.595 -2.631 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.634 4.658 -4.021 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.144 5.358 -2.460 1.00 0.00 H new ATOM 960 N ILE A 64 -8.209 5.643 -0.336 1.00 0.00 N ATOM 961 CA ILE A 64 -8.338 5.707 1.107 1.00 0.00 C ATOM 962 C ILE A 64 -9.765 5.389 1.539 1.00 0.00 C ATOM 963 O ILE A 64 -9.992 4.531 2.388 1.00 0.00 O ATOM 964 CB ILE A 64 -7.980 7.129 1.589 1.00 0.00 C ATOM 965 CG1 ILE A 64 -6.503 7.423 1.334 1.00 0.00 C ATOM 966 CG2 ILE A 64 -8.302 7.327 3.069 1.00 0.00 C ATOM 967 CD1 ILE A 64 -6.107 8.842 1.670 1.00 0.00 C ATOM 0 H ILE A 64 -8.024 6.545 -0.775 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.662 4.973 1.546 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.591 7.828 1.018 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.896 6.735 1.923 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -6.277 7.229 0.285 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.035 8.341 3.367 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.368 7.169 3.234 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -7.733 6.612 3.664 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.046 8.982 1.465 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.688 9.536 1.062 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.301 9.034 2.725 1.00 0.00 H new ATOM 979 N ASP A 65 -10.720 6.100 0.956 1.00 0.00 N ATOM 980 CA ASP A 65 -12.128 5.916 1.289 1.00 0.00 C ATOM 981 C ASP A 65 -12.698 4.642 0.677 1.00 0.00 C ATOM 982 O ASP A 65 -13.784 4.200 1.053 1.00 0.00 O ATOM 983 CB ASP A 65 -12.937 7.127 0.822 1.00 0.00 C ATOM 984 CG ASP A 65 -12.868 8.279 1.805 1.00 0.00 C ATOM 985 OD1 ASP A 65 -11.888 8.343 2.577 1.00 0.00 O ATOM 986 OD2 ASP A 65 -13.792 9.120 1.802 1.00 0.00 O ATOM 0 H ASP A 65 -10.546 6.813 0.247 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.200 5.821 2.372 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.565 7.457 -0.148 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.977 6.834 0.682 1.00 0.00 H new ATOM 991 N ASN A 66 -11.973 4.053 -0.270 1.00 0.00 N ATOM 992 CA ASN A 66 -12.441 2.828 -0.924 1.00 0.00 C ATOM 993 C ASN A 66 -11.775 1.589 -0.335 1.00 0.00 C ATOM 994 O ASN A 66 -12.396 0.529 -0.234 1.00 0.00 O ATOM 995 CB ASN A 66 -12.172 2.877 -2.432 1.00 0.00 C ATOM 996 CG ASN A 66 -13.331 3.463 -3.213 1.00 0.00 C ATOM 997 OD1 ASN A 66 -14.226 4.089 -2.646 1.00 0.00 O ATOM 998 ND2 ASN A 66 -13.320 3.258 -4.525 1.00 0.00 N ATOM 0 H ASN A 66 -11.071 4.396 -0.600 1.00 0.00 H new ATOM 0 HA ASN A 66 -13.515 2.764 -0.749 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.277 3.470 -2.618 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -11.968 1.869 -2.794 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -14.074 3.626 -5.105 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -12.557 2.733 -4.953 1.00 0.00 H new ATOM 1005 N MET A 67 -10.505 1.715 0.025 1.00 0.00 N ATOM 1006 CA MET A 67 -9.753 0.591 0.569 1.00 0.00 C ATOM 1007 C MET A 67 -9.824 0.523 2.097 1.00 0.00 C ATOM 1008 O MET A 67 -9.612 -0.540 2.681 1.00 0.00 O ATOM 1009 CB MET A 67 -8.298 0.681 0.115 1.00 0.00 C ATOM 1010 CG MET A 67 -7.645 -0.672 -0.114 1.00 0.00 C ATOM 1011 SD MET A 67 -7.827 -1.261 -1.807 1.00 0.00 S ATOM 1012 CE MET A 67 -9.502 -1.899 -1.766 1.00 0.00 C ATOM 0 H MET A 67 -9.974 2.583 -0.049 1.00 0.00 H new ATOM 0 HA MET A 67 -10.208 -0.323 0.188 1.00 0.00 H new ATOM 0 HB2 MET A 67 -8.250 1.259 -0.808 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.726 1.229 0.864 1.00 0.00 H new ATOM 0 HG2 MET A 67 -6.585 -0.604 0.130 1.00 0.00 H new ATOM 0 HG3 MET A 67 -8.083 -1.401 0.568 1.00 0.00 H new ATOM 0 HE1 MET A 67 -9.614 -2.676 -2.522 1.00 0.00 H new ATOM 0 HE2 MET A 67 -9.708 -2.318 -0.781 1.00 0.00 H new ATOM 0 HE3 MET A 67 -10.204 -1.091 -1.970 1.00 0.00 H new ATOM 1022 N ASN A 68 -10.115 1.645 2.753 1.00 0.00 N ATOM 1023 CA ASN A 68 -10.198 1.659 4.212 1.00 0.00 C ATOM 1024 C ASN A 68 -11.244 0.667 4.705 1.00 0.00 C ATOM 1025 O ASN A 68 -12.441 0.845 4.478 1.00 0.00 O ATOM 1026 CB ASN A 68 -10.525 3.059 4.736 1.00 0.00 C ATOM 1027 CG ASN A 68 -10.356 3.163 6.238 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -9.260 3.421 6.731 1.00 0.00 O ATOM 1029 ND2 ASN A 68 -11.441 2.959 6.974 1.00 0.00 N ATOM 0 H ASN A 68 -10.295 2.544 2.305 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.222 1.365 4.597 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.878 3.788 4.248 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.550 3.314 4.469 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.385 3.014 7.991 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.331 2.747 6.523 1.00 0.00 H new ATOM 1036 N GLU A 69 -10.779 -0.382 5.375 1.00 0.00 N ATOM 1037 CA GLU A 69 -11.663 -1.418 5.903 1.00 0.00 C ATOM 1038 C GLU A 69 -12.222 -2.277 4.773 1.00 0.00 C ATOM 1039 O GLU A 69 -13.435 -2.461 4.657 1.00 0.00 O ATOM 1040 CB GLU A 69 -12.804 -0.790 6.710 1.00 0.00 C ATOM 1041 CG GLU A 69 -13.169 -1.576 7.960 1.00 0.00 C ATOM 1042 CD GLU A 69 -13.934 -0.743 8.970 1.00 0.00 C ATOM 1043 OE1 GLU A 69 -13.674 0.475 9.056 1.00 0.00 O ATOM 1044 OE2 GLU A 69 -14.794 -1.311 9.674 1.00 0.00 O ATOM 0 H GLU A 69 -9.789 -0.539 5.567 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.081 -2.058 6.566 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.520 0.223 6.997 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.685 -0.706 6.073 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.770 -2.441 7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.259 -1.957 8.424 1.00 0.00 H new ATOM 1051 N SER A 70 -11.328 -2.805 3.940 1.00 0.00 N ATOM 1052 CA SER A 70 -11.725 -3.648 2.816 1.00 0.00 C ATOM 1053 C SER A 70 -11.110 -5.041 2.939 1.00 0.00 C ATOM 1054 O SER A 70 -10.508 -5.377 3.957 1.00 0.00 O ATOM 1055 CB SER A 70 -11.306 -2.997 1.494 1.00 0.00 C ATOM 1056 OG SER A 70 -12.408 -2.359 0.870 1.00 0.00 O ATOM 0 H SER A 70 -10.321 -2.663 4.023 1.00 0.00 H new ATOM 0 HA SER A 70 -12.810 -3.752 2.830 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.516 -2.269 1.677 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.894 -3.754 0.827 1.00 0.00 H new ATOM 0 HG SER A 70 -12.145 -1.460 0.581 1.00 0.00 H new ATOM 1062 N GLU A 71 -11.273 -5.851 1.895 1.00 0.00 N ATOM 1063 CA GLU A 71 -10.741 -7.210 1.886 1.00 0.00 C ATOM 1064 C GLU A 71 -9.779 -7.421 0.720 1.00 0.00 C ATOM 1065 O GLU A 71 -10.122 -7.167 -0.433 1.00 0.00 O ATOM 1066 CB GLU A 71 -11.891 -8.218 1.804 1.00 0.00 C ATOM 1067 CG GLU A 71 -11.738 -9.395 2.753 1.00 0.00 C ATOM 1068 CD GLU A 71 -13.067 -10.034 3.103 1.00 0.00 C ATOM 1069 OE1 GLU A 71 -13.666 -10.680 2.218 1.00 0.00 O ATOM 1070 OE2 GLU A 71 -13.512 -9.884 4.261 1.00 0.00 O ATOM 0 H GLU A 71 -11.770 -5.588 1.044 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.187 -7.364 2.812 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.828 -7.706 2.022 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.963 -8.592 0.783 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.088 -10.142 2.298 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.248 -9.060 3.667 1.00 0.00 H new ATOM 1077 N LEU A 72 -8.576 -7.901 1.029 1.00 0.00 N ATOM 1078 CA LEU A 72 -7.569 -8.161 0.002 1.00 0.00 C ATOM 1079 C LEU A 72 -6.830 -9.463 0.292 1.00 0.00 C ATOM 1080 O LEU A 72 -6.245 -9.628 1.363 1.00 0.00 O ATOM 1081 CB LEU A 72 -6.581 -6.997 -0.094 1.00 0.00 C ATOM 1082 CG LEU A 72 -6.144 -6.645 -1.517 1.00 0.00 C ATOM 1083 CD1 LEU A 72 -7.279 -5.960 -2.265 1.00 0.00 C ATOM 1084 CD2 LEU A 72 -4.903 -5.765 -1.498 1.00 0.00 C ATOM 0 H LEU A 72 -8.275 -8.117 1.979 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.079 -8.259 -0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.033 -6.116 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.696 -7.240 0.494 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.894 -7.569 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.953 -5.716 -3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.139 -6.628 -2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.559 -5.045 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.610 -5.527 -2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.119 -4.843 -0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.090 -6.294 -1.001 1.00 0.00 H new ATOM 1096 N PHE A 73 -6.867 -10.393 -0.660 1.00 0.00 N ATOM 1097 CA PHE A 73 -6.209 -11.681 -0.487 1.00 0.00 C ATOM 1098 C PHE A 73 -6.712 -12.353 0.788 1.00 0.00 C ATOM 1099 O PHE A 73 -5.945 -12.985 1.515 1.00 0.00 O ATOM 1100 CB PHE A 73 -4.691 -11.508 -0.414 1.00 0.00 C ATOM 1101 CG PHE A 73 -4.069 -10.958 -1.667 1.00 0.00 C ATOM 1102 CD1 PHE A 73 -4.087 -11.685 -2.848 1.00 0.00 C ATOM 1103 CD2 PHE A 73 -3.446 -9.722 -1.658 1.00 0.00 C ATOM 1104 CE1 PHE A 73 -3.494 -11.186 -3.991 1.00 0.00 C ATOM 1105 CE2 PHE A 73 -2.857 -9.220 -2.797 1.00 0.00 C ATOM 1106 CZ PHE A 73 -2.879 -9.954 -3.964 1.00 0.00 C ATOM 0 H PHE A 73 -7.344 -10.277 -1.554 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.447 -12.308 -1.347 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.452 -10.844 0.417 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.238 -12.474 -0.191 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.570 -12.651 -2.874 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.422 -9.144 -0.746 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.512 -11.761 -4.905 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.378 -8.252 -2.776 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.414 -9.563 -4.857 1.00 0.00 H new ATOM 1116 N GLY A 74 -8.003 -12.197 1.055 1.00 0.00 N ATOM 1117 CA GLY A 74 -8.589 -12.778 2.246 1.00 0.00 C ATOM 1118 C GLY A 74 -8.100 -12.104 3.515 1.00 0.00 C ATOM 1119 O GLY A 74 -8.248 -12.647 4.610 1.00 0.00 O ATOM 0 H GLY A 74 -8.655 -11.678 0.467 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.675 -12.699 2.190 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.349 -13.840 2.286 1.00 0.00 H new ATOM 1123 N ARG A 75 -7.508 -10.919 3.367 1.00 0.00 N ATOM 1124 CA ARG A 75 -6.991 -10.174 4.503 1.00 0.00 C ATOM 1125 C ARG A 75 -7.590 -8.777 4.564 1.00 0.00 C ATOM 1126 O ARG A 75 -7.855 -8.153 3.536 1.00 0.00 O ATOM 1127 CB ARG A 75 -5.470 -10.078 4.423 1.00 0.00 C ATOM 1128 CG ARG A 75 -4.794 -11.398 4.098 1.00 0.00 C ATOM 1129 CD ARG A 75 -4.099 -11.983 5.315 1.00 0.00 C ATOM 1130 NE ARG A 75 -4.065 -13.444 5.277 1.00 0.00 N ATOM 1131 CZ ARG A 75 -4.379 -14.227 6.308 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -4.742 -13.705 7.473 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -4.328 -15.545 6.173 1.00 0.00 N ATOM 0 H ARG A 75 -7.377 -10.458 2.467 1.00 0.00 H new ATOM 0 HA ARG A 75 -7.273 -10.709 5.410 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.200 -9.344 3.663 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.087 -9.708 5.374 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.535 -12.105 3.726 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.067 -11.249 3.300 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.081 -11.598 5.371 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.614 -11.656 6.218 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.783 -13.892 4.405 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.783 -12.692 7.587 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.980 -14.317 8.254 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.049 -15.956 5.282 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.568 -16.148 6.960 1.00 0.00 H new ATOM 1147 N THR A 76 -7.784 -8.291 5.779 1.00 0.00 N ATOM 1148 CA THR A 76 -8.336 -6.963 5.995 1.00 0.00 C ATOM 1149 C THR A 76 -7.238 -5.918 5.886 1.00 0.00 C ATOM 1150 O THR A 76 -6.263 -5.950 6.635 1.00 0.00 O ATOM 1151 CB THR A 76 -9.001 -6.872 7.370 1.00 0.00 C ATOM 1152 OG1 THR A 76 -9.714 -8.059 7.662 1.00 0.00 O ATOM 1153 CG2 THR A 76 -9.967 -5.715 7.487 1.00 0.00 C ATOM 0 H THR A 76 -7.566 -8.800 6.636 1.00 0.00 H new ATOM 0 HA THR A 76 -9.089 -6.776 5.230 1.00 0.00 H new ATOM 0 HB THR A 76 -8.186 -6.719 8.078 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.130 -7.982 8.546 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.405 -5.706 8.485 1.00 0.00 H new ATOM 0 HG22 THR A 76 -9.436 -4.779 7.315 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.758 -5.825 6.745 1.00 0.00 H new ATOM 1161 N ILE A 77 -7.396 -4.993 4.952 1.00 0.00 N ATOM 1162 CA ILE A 77 -6.413 -3.945 4.750 1.00 0.00 C ATOM 1163 C ILE A 77 -6.966 -2.589 5.167 1.00 0.00 C ATOM 1164 O ILE A 77 -8.171 -2.351 5.113 1.00 0.00 O ATOM 1165 CB ILE A 77 -5.960 -3.869 3.280 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -7.170 -3.729 2.354 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -5.140 -5.098 2.914 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -6.804 -3.669 0.888 1.00 0.00 C ATOM 0 H ILE A 77 -8.197 -4.948 4.322 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.554 -4.195 5.373 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.331 -2.988 3.155 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -7.843 -4.571 2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.719 -2.826 2.621 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.827 -5.030 1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.260 -5.152 3.554 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.745 -5.994 3.053 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.710 -3.570 0.291 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.156 -2.811 0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -6.282 -4.583 0.606 1.00 0.00 H new ATOM 1180 N ARG A 78 -6.066 -1.708 5.569 1.00 0.00 N ATOM 1181 CA ARG A 78 -6.431 -0.361 5.987 1.00 0.00 C ATOM 1182 C ARG A 78 -5.524 0.655 5.308 1.00 0.00 C ATOM 1183 O ARG A 78 -4.326 0.422 5.165 1.00 0.00 O ATOM 1184 CB ARG A 78 -6.320 -0.222 7.505 1.00 0.00 C ATOM 1185 CG ARG A 78 -6.814 1.120 8.025 1.00 0.00 C ATOM 1186 CD ARG A 78 -7.335 1.018 9.450 1.00 0.00 C ATOM 1187 NE ARG A 78 -8.735 1.430 9.549 1.00 0.00 N ATOM 1188 CZ ARG A 78 -9.769 0.631 9.289 1.00 0.00 C ATOM 1189 NH1 ARG A 78 -9.571 -0.628 8.916 1.00 0.00 N ATOM 1190 NH2 ARG A 78 -11.007 1.093 9.404 1.00 0.00 N ATOM 0 H ARG A 78 -5.066 -1.903 5.616 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.464 -0.174 5.695 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.892 -1.020 7.979 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.279 -0.357 7.800 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.002 1.846 7.986 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.605 1.492 7.375 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.233 -0.009 9.801 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.726 1.641 10.105 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.932 2.389 9.835 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.622 -0.990 8.827 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.368 -1.233 8.719 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.166 2.059 9.691 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.800 0.483 9.205 1.00 0.00 H new ATOM 1204 N VAL A 79 -6.093 1.774 4.875 1.00 0.00 N ATOM 1205 CA VAL A 79 -5.311 2.798 4.200 1.00 0.00 C ATOM 1206 C VAL A 79 -5.356 4.122 4.961 1.00 0.00 C ATOM 1207 O VAL A 79 -6.327 4.412 5.659 1.00 0.00 O ATOM 1208 CB VAL A 79 -5.822 2.983 2.753 1.00 0.00 C ATOM 1209 CG1 VAL A 79 -5.120 4.128 2.043 1.00 0.00 C ATOM 1210 CG2 VAL A 79 -5.638 1.691 1.976 1.00 0.00 C ATOM 0 H VAL A 79 -7.084 1.993 4.979 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.272 2.471 4.170 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.882 3.234 2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.510 4.222 1.030 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.296 5.056 2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.049 3.929 2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.999 1.825 0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.581 1.427 1.955 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.202 0.893 2.459 1.00 0.00 H new ATOM 1220 N ASN A 80 -4.294 4.917 4.825 1.00 0.00 N ATOM 1221 CA ASN A 80 -4.209 6.208 5.504 1.00 0.00 C ATOM 1222 C ASN A 80 -3.226 7.139 4.804 1.00 0.00 C ATOM 1223 O ASN A 80 -2.326 6.690 4.100 1.00 0.00 O ATOM 1224 CB ASN A 80 -3.790 6.014 6.965 1.00 0.00 C ATOM 1225 CG ASN A 80 -4.960 6.106 7.922 1.00 0.00 C ATOM 1226 OD1 ASN A 80 -5.659 5.122 8.163 1.00 0.00 O ATOM 1227 ND2 ASN A 80 -5.180 7.292 8.478 1.00 0.00 N ATOM 0 H ASN A 80 -3.482 4.689 4.251 1.00 0.00 H new ATOM 0 HA ASN A 80 -5.197 6.667 5.470 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.310 5.042 7.076 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.048 6.768 7.230 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.953 7.413 9.133 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.576 8.082 8.250 1.00 0.00 H new ATOM 1234 N LEU A 81 -3.408 8.442 5.010 1.00 0.00 N ATOM 1235 CA LEU A 81 -2.538 9.447 4.404 1.00 0.00 C ATOM 1236 C LEU A 81 -1.290 9.675 5.254 1.00 0.00 C ATOM 1237 O LEU A 81 -1.381 10.091 6.410 1.00 0.00 O ATOM 1238 CB LEU A 81 -3.300 10.767 4.225 1.00 0.00 C ATOM 1239 CG LEU A 81 -3.613 11.148 2.778 1.00 0.00 C ATOM 1240 CD1 LEU A 81 -4.599 12.305 2.732 1.00 0.00 C ATOM 1241 CD2 LEU A 81 -2.337 11.503 2.032 1.00 0.00 C ATOM 0 H LEU A 81 -4.151 8.827 5.593 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.224 9.080 3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.237 10.705 4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.716 11.569 4.677 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.070 10.289 2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.810 12.562 1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.525 12.014 3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.170 13.169 3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.579 11.772 1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.851 12.347 2.523 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.664 10.646 2.034 1.00 0.00 H new ATOM 1253 N ALA A 82 -0.126 9.407 4.674 1.00 0.00 N ATOM 1254 CA ALA A 82 1.138 9.592 5.376 1.00 0.00 C ATOM 1255 C ALA A 82 1.615 11.033 5.253 1.00 0.00 C ATOM 1256 O ALA A 82 1.101 11.792 4.436 1.00 0.00 O ATOM 1257 CB ALA A 82 2.190 8.638 4.832 1.00 0.00 C ATOM 0 H ALA A 82 -0.031 9.061 3.719 1.00 0.00 H new ATOM 0 HA ALA A 82 0.980 9.372 6.432 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.128 8.788 5.366 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.855 7.610 4.969 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.342 8.831 3.770 1.00 0.00 H new ATOM 1263 N LYS A 83 2.597 11.409 6.067 1.00 0.00 N ATOM 1264 CA LYS A 83 3.136 12.766 6.038 1.00 0.00 C ATOM 1265 C LYS A 83 4.562 12.777 5.496 1.00 0.00 C ATOM 1266 O LYS A 83 5.367 11.903 5.817 1.00 0.00 O ATOM 1267 CB LYS A 83 3.109 13.380 7.442 1.00 0.00 C ATOM 1268 CG LYS A 83 1.762 13.977 7.820 1.00 0.00 C ATOM 1269 CD LYS A 83 0.754 12.900 8.185 1.00 0.00 C ATOM 1270 CE LYS A 83 -0.672 13.368 7.948 1.00 0.00 C ATOM 1271 NZ LYS A 83 -1.219 14.101 9.124 1.00 0.00 N ATOM 0 H LYS A 83 3.035 10.795 6.754 1.00 0.00 H new ATOM 0 HA LYS A 83 2.510 13.362 5.374 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.374 12.613 8.170 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.872 14.156 7.505 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.889 14.658 8.662 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.379 14.567 6.988 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.947 12.004 7.594 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.878 12.624 9.232 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.701 14.015 7.071 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.305 12.508 7.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.193 14.403 8.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.216 13.476 9.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.630 14.936 9.317 1.00 0.00 H new TER 1285 LYS A 83