USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=11 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 Set 1.1: A 71 HIS : no HD1:sc= -0.0887 X(o=-0.089,f=0) USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot -60:sc= 0.885 USER MOD Single : A 14 THR OG1 : rot -53:sc= 0.616 USER MOD Single : A 17 MET CE :methyl 170:sc= 0 (180deg=-0.0646) USER MOD Single : A 18 THR OG1 : rot -90:sc= -0.668 USER MOD Single : A 27 SER OG : rot -88:sc= 1.31 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 30:sc= -0.391 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -17:sc= 0.0203 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 46:sc= 0.949 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -5.603 6.712 0.256 1.00 0.00 N ATOM 60 CA GLY A 7 -4.650 5.637 0.460 1.00 0.00 C ATOM 61 C GLY A 7 -5.120 4.635 1.494 1.00 0.00 C ATOM 62 O GLY A 7 -5.916 4.964 2.373 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.477 5.124 -0.486 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.694 6.057 0.774 1.00 0.00 H new ATOM 66 N VAL A 8 -4.626 3.405 1.390 1.00 0.00 N ATOM 67 CA VAL A 8 -5.001 2.349 2.324 1.00 0.00 C ATOM 68 C VAL A 8 -3.780 1.553 2.773 1.00 0.00 C ATOM 69 O VAL A 8 -2.787 1.460 2.051 1.00 0.00 O ATOM 70 CB VAL A 8 -6.027 1.386 1.700 1.00 0.00 C ATOM 71 CG1 VAL A 8 -7.378 2.069 1.549 1.00 0.00 C ATOM 72 CG2 VAL A 8 -5.527 0.872 0.359 1.00 0.00 C ATOM 0 H VAL A 8 -3.966 3.115 0.669 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.451 2.837 3.189 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.151 0.533 2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.090 1.373 1.106 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.738 2.383 2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.275 2.941 0.904 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.265 0.193 -0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.373 1.712 -0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.585 0.342 0.501 1.00 0.00 H new ATOM 82 N PHE A 9 -3.860 0.981 3.969 1.00 0.00 N ATOM 83 CA PHE A 9 -2.762 0.192 4.514 1.00 0.00 C ATOM 84 C PHE A 9 -2.976 -1.295 4.249 1.00 0.00 C ATOM 85 O PHE A 9 -4.068 -1.824 4.457 1.00 0.00 O ATOM 86 CB PHE A 9 -2.626 0.440 6.018 1.00 0.00 C ATOM 87 CG PHE A 9 -1.843 1.677 6.354 1.00 0.00 C ATOM 88 CD1 PHE A 9 -0.465 1.624 6.489 1.00 0.00 C ATOM 89 CD2 PHE A 9 -2.485 2.892 6.533 1.00 0.00 C ATOM 90 CE1 PHE A 9 0.257 2.762 6.799 1.00 0.00 C ATOM 91 CE2 PHE A 9 -1.768 4.031 6.842 1.00 0.00 C ATOM 92 CZ PHE A 9 -0.394 3.966 6.974 1.00 0.00 C ATOM 0 H PHE A 9 -4.674 1.049 4.580 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.843 0.502 4.017 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.621 0.519 6.456 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.143 -0.422 6.478 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.050 0.685 6.351 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.559 2.949 6.430 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.331 2.708 6.904 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.281 4.972 6.980 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.169 4.856 7.214 1.00 0.00 H new ATOM 102 N VAL A 10 -1.924 -1.966 3.789 1.00 0.00 N ATOM 103 CA VAL A 10 -1.995 -3.392 3.496 1.00 0.00 C ATOM 104 C VAL A 10 -1.083 -4.190 4.421 1.00 0.00 C ATOM 105 O VAL A 10 0.006 -4.608 4.028 1.00 0.00 O ATOM 106 CB VAL A 10 -1.608 -3.684 2.034 1.00 0.00 C ATOM 107 CG1 VAL A 10 -1.792 -5.161 1.717 1.00 0.00 C ATOM 108 CG2 VAL A 10 -2.425 -2.821 1.084 1.00 0.00 C ATOM 0 H VAL A 10 -1.012 -1.544 3.611 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.029 -3.697 3.659 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.555 -3.436 1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.514 -5.348 0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.159 -5.756 2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.835 -5.438 1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.138 -3.040 0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.485 -3.035 1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.237 -1.768 1.296 1.00 0.00 H new ATOM 118 N GLY A 11 -1.535 -4.397 5.654 1.00 0.00 N ATOM 119 CA GLY A 11 -0.747 -5.145 6.616 1.00 0.00 C ATOM 120 C GLY A 11 -0.650 -6.617 6.268 1.00 0.00 C ATOM 121 O GLY A 11 -0.981 -7.022 5.154 1.00 0.00 O ATOM 0 H GLY A 11 -2.432 -4.060 6.004 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.256 -4.720 6.668 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.190 -5.037 7.606 1.00 0.00 H new ATOM 125 N ARG A 12 -0.196 -7.421 7.225 1.00 0.00 N ATOM 126 CA ARG A 12 -0.053 -8.856 7.012 1.00 0.00 C ATOM 127 C ARG A 12 0.775 -9.142 5.762 1.00 0.00 C ATOM 128 O ARG A 12 0.704 -10.233 5.196 1.00 0.00 O ATOM 129 CB ARG A 12 -1.430 -9.513 6.886 1.00 0.00 C ATOM 130 CG ARG A 12 -2.140 -9.699 8.217 1.00 0.00 C ATOM 131 CD ARG A 12 -3.619 -9.993 8.023 1.00 0.00 C ATOM 132 NE ARG A 12 -4.454 -9.241 8.956 1.00 0.00 N ATOM 133 CZ ARG A 12 -4.448 -9.437 10.270 1.00 0.00 C ATOM 134 NH1 ARG A 12 -3.655 -10.356 10.803 1.00 0.00 N ATOM 135 NH2 ARG A 12 -5.236 -8.713 11.054 1.00 0.00 N ATOM 0 H ARG A 12 0.079 -7.103 8.154 1.00 0.00 H new ATOM 0 HA ARG A 12 0.466 -9.276 7.874 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.055 -8.905 6.232 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.317 -10.485 6.405 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.675 -10.516 8.768 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.023 -8.800 8.822 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.906 -9.747 7.001 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.797 -11.060 8.156 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.076 -8.526 8.578 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.047 -10.915 10.204 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.653 -10.504 11.812 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.848 -8.005 10.648 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.230 -8.865 12.063 1.00 0.00 H new ATOM 149 N CYS A 13 1.556 -8.155 5.338 1.00 0.00 N ATOM 150 CA CYS A 13 2.397 -8.300 4.156 1.00 0.00 C ATOM 151 C CYS A 13 3.663 -9.086 4.481 1.00 0.00 C ATOM 152 O CYS A 13 3.769 -9.704 5.541 1.00 0.00 O ATOM 153 CB CYS A 13 2.764 -6.926 3.594 1.00 0.00 C ATOM 154 SG CYS A 13 2.152 -6.624 1.920 1.00 0.00 S ATOM 0 H CYS A 13 1.624 -7.246 5.795 1.00 0.00 H new ATOM 0 HA CYS A 13 1.833 -8.852 3.405 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.369 -6.157 4.258 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.849 -6.823 3.597 1.00 0.00 H new ATOM 0 HG CYS A 13 2.642 -7.516 1.111 1.00 0.00 H new ATOM 160 N THR A 14 4.623 -9.059 3.562 1.00 0.00 N ATOM 161 CA THR A 14 5.881 -9.770 3.749 1.00 0.00 C ATOM 162 C THR A 14 7.055 -8.961 3.210 1.00 0.00 C ATOM 163 O THR A 14 6.870 -8.001 2.463 1.00 0.00 O ATOM 164 CB THR A 14 5.858 -11.145 3.056 1.00 0.00 C ATOM 165 OG1 THR A 14 5.702 -10.978 1.642 1.00 0.00 O ATOM 166 CG2 THR A 14 4.726 -12.006 3.598 1.00 0.00 C ATOM 0 H THR A 14 4.553 -8.552 2.680 1.00 0.00 H new ATOM 0 HA THR A 14 6.005 -9.915 4.822 1.00 0.00 H new ATOM 0 HB THR A 14 6.804 -11.646 3.260 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.923 -10.410 1.464 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.730 -12.972 3.093 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.863 -12.155 4.669 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.773 -11.508 3.420 1.00 0.00 H new ATOM 174 N GLY A 15 8.266 -9.357 3.592 1.00 0.00 N ATOM 175 CA GLY A 15 9.453 -8.659 3.136 1.00 0.00 C ATOM 176 C GLY A 15 10.012 -9.239 1.852 1.00 0.00 C ATOM 177 O GLY A 15 11.178 -9.628 1.794 1.00 0.00 O ATOM 0 H GLY A 15 8.445 -10.149 4.209 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.215 -7.607 2.982 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.217 -8.702 3.913 1.00 0.00 H new ATOM 181 N ASP A 16 9.176 -9.300 0.821 1.00 0.00 N ATOM 182 CA ASP A 16 9.593 -9.839 -0.469 1.00 0.00 C ATOM 183 C ASP A 16 8.875 -9.129 -1.612 1.00 0.00 C ATOM 184 O ASP A 16 9.513 -8.569 -2.504 1.00 0.00 O ATOM 185 CB ASP A 16 9.313 -11.343 -0.532 1.00 0.00 C ATOM 186 CG ASP A 16 9.471 -11.903 -1.932 1.00 0.00 C ATOM 187 OD1 ASP A 16 8.608 -11.613 -2.787 1.00 0.00 O ATOM 188 OD2 ASP A 16 10.456 -12.631 -2.172 1.00 0.00 O ATOM 0 H ASP A 16 8.207 -8.983 0.853 1.00 0.00 H new ATOM 0 HA ASP A 16 10.665 -9.671 -0.576 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.991 -11.864 0.143 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.300 -11.536 -0.179 1.00 0.00 H new ATOM 193 N MET A 17 7.548 -9.155 -1.579 1.00 0.00 N ATOM 194 CA MET A 17 6.745 -8.512 -2.613 1.00 0.00 C ATOM 195 C MET A 17 7.384 -7.202 -3.062 1.00 0.00 C ATOM 196 O MET A 17 8.115 -6.564 -2.304 1.00 0.00 O ATOM 197 CB MET A 17 5.327 -8.252 -2.099 1.00 0.00 C ATOM 198 CG MET A 17 4.622 -9.503 -1.601 1.00 0.00 C ATOM 199 SD MET A 17 3.622 -9.199 -0.132 1.00 0.00 S ATOM 200 CE MET A 17 2.479 -10.575 -0.210 1.00 0.00 C ATOM 0 H MET A 17 7.005 -9.614 -0.848 1.00 0.00 H new ATOM 0 HA MET A 17 6.696 -9.184 -3.470 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.371 -7.523 -1.290 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.736 -7.806 -2.899 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.986 -9.897 -2.394 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.364 -10.269 -1.378 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.912 -10.630 0.719 1.00 0.00 H new ATOM 0 HE2 MET A 17 1.794 -10.432 -1.045 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.035 -11.502 -0.351 1.00 0.00 H new ATOM 210 N THR A 18 7.104 -6.805 -4.299 1.00 0.00 N ATOM 211 CA THR A 18 7.653 -5.573 -4.849 1.00 0.00 C ATOM 212 C THR A 18 6.543 -4.612 -5.261 1.00 0.00 C ATOM 213 O THR A 18 5.501 -5.032 -5.762 1.00 0.00 O ATOM 214 CB THR A 18 8.552 -5.852 -6.069 1.00 0.00 C ATOM 215 OG1 THR A 18 7.932 -6.821 -6.921 1.00 0.00 O ATOM 216 CG2 THR A 18 9.919 -6.356 -5.629 1.00 0.00 C ATOM 0 H THR A 18 6.499 -7.320 -4.939 1.00 0.00 H new ATOM 0 HA THR A 18 8.253 -5.117 -4.062 1.00 0.00 H new ATOM 0 HB THR A 18 8.685 -4.919 -6.617 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.212 -7.721 -6.652 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.536 -6.546 -6.507 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.400 -5.604 -5.003 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.801 -7.279 -5.061 1.00 0.00 H new ATOM 224 N GLU A 19 6.774 -3.321 -5.045 1.00 0.00 N ATOM 225 CA GLU A 19 5.792 -2.300 -5.394 1.00 0.00 C ATOM 226 C GLU A 19 5.097 -2.642 -6.709 1.00 0.00 C ATOM 227 O GLU A 19 3.917 -2.344 -6.896 1.00 0.00 O ATOM 228 CB GLU A 19 6.463 -0.930 -5.499 1.00 0.00 C ATOM 229 CG GLU A 19 7.110 -0.467 -4.205 1.00 0.00 C ATOM 230 CD GLU A 19 8.370 0.343 -4.439 1.00 0.00 C ATOM 231 OE1 GLU A 19 8.402 1.122 -5.414 1.00 0.00 O ATOM 232 OE2 GLU A 19 9.323 0.199 -3.645 1.00 0.00 O ATOM 0 H GLU A 19 7.632 -2.957 -4.630 1.00 0.00 H new ATOM 0 HA GLU A 19 5.042 -2.268 -4.604 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.221 -0.965 -6.282 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.720 -0.194 -5.807 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.396 0.134 -3.641 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.350 -1.336 -3.592 1.00 0.00 H new ATOM 239 N ASP A 20 5.837 -3.267 -7.618 1.00 0.00 N ATOM 240 CA ASP A 20 5.294 -3.650 -8.916 1.00 0.00 C ATOM 241 C ASP A 20 4.188 -4.687 -8.757 1.00 0.00 C ATOM 242 O ASP A 20 3.076 -4.503 -9.251 1.00 0.00 O ATOM 243 CB ASP A 20 6.403 -4.201 -9.815 1.00 0.00 C ATOM 244 CG ASP A 20 5.962 -4.339 -11.258 1.00 0.00 C ATOM 245 OD1 ASP A 20 4.813 -4.770 -11.488 1.00 0.00 O ATOM 246 OD2 ASP A 20 6.767 -4.019 -12.159 1.00 0.00 O ATOM 0 H ASP A 20 6.816 -3.519 -7.480 1.00 0.00 H new ATOM 0 HA ASP A 20 4.869 -2.761 -9.381 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.269 -3.541 -9.764 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.721 -5.174 -9.440 1.00 0.00 H new ATOM 251 N GLU A 21 4.502 -5.780 -8.067 1.00 0.00 N ATOM 252 CA GLU A 21 3.534 -6.847 -7.845 1.00 0.00 C ATOM 253 C GLU A 21 2.185 -6.278 -7.418 1.00 0.00 C ATOM 254 O GLU A 21 1.181 -6.442 -8.113 1.00 0.00 O ATOM 255 CB GLU A 21 4.050 -7.821 -6.783 1.00 0.00 C ATOM 256 CG GLU A 21 5.314 -8.557 -7.194 1.00 0.00 C ATOM 257 CD GLU A 21 5.178 -10.062 -7.073 1.00 0.00 C ATOM 258 OE1 GLU A 21 4.713 -10.532 -6.014 1.00 0.00 O ATOM 259 OE2 GLU A 21 5.537 -10.770 -8.038 1.00 0.00 O ATOM 0 H GLU A 21 5.419 -5.949 -7.653 1.00 0.00 H new ATOM 0 HA GLU A 21 3.401 -7.383 -8.785 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.243 -7.272 -5.862 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.271 -8.550 -6.562 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.561 -8.300 -8.224 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.144 -8.220 -6.573 1.00 0.00 H new ATOM 266 N LEU A 22 2.168 -5.611 -6.270 1.00 0.00 N ATOM 267 CA LEU A 22 0.942 -5.018 -5.747 1.00 0.00 C ATOM 268 C LEU A 22 0.337 -4.043 -6.753 1.00 0.00 C ATOM 269 O LEU A 22 -0.864 -4.074 -7.016 1.00 0.00 O ATOM 270 CB LEU A 22 1.222 -4.298 -4.427 1.00 0.00 C ATOM 271 CG LEU A 22 1.821 -5.154 -3.310 1.00 0.00 C ATOM 272 CD1 LEU A 22 2.547 -4.280 -2.299 1.00 0.00 C ATOM 273 CD2 LEU A 22 0.736 -5.973 -2.627 1.00 0.00 C ATOM 0 H LEU A 22 2.990 -5.467 -5.683 1.00 0.00 H new ATOM 0 HA LEU A 22 0.226 -5.821 -5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.901 -3.468 -4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.288 -3.867 -4.066 1.00 0.00 H new ATOM 0 HG LEU A 22 2.544 -5.840 -3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.967 -4.906 -1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.350 -3.737 -2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.845 -3.569 -1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.180 -6.576 -1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.010 -5.303 -2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.260 -6.627 -3.357 1.00 0.00 H new ATOM 285 N ARG A 23 1.179 -3.180 -7.312 1.00 0.00 N ATOM 286 CA ARG A 23 0.728 -2.197 -8.290 1.00 0.00 C ATOM 287 C ARG A 23 0.000 -2.875 -9.446 1.00 0.00 C ATOM 288 O ARG A 23 -0.934 -2.313 -10.018 1.00 0.00 O ATOM 289 CB ARG A 23 1.917 -1.393 -8.822 1.00 0.00 C ATOM 290 CG ARG A 23 1.533 -0.362 -9.871 1.00 0.00 C ATOM 291 CD ARG A 23 2.546 0.771 -9.935 1.00 0.00 C ATOM 292 NE ARG A 23 3.320 0.742 -11.173 1.00 0.00 N ATOM 293 CZ ARG A 23 3.936 1.806 -11.678 1.00 0.00 C ATOM 294 NH1 ARG A 23 3.869 2.974 -11.055 1.00 0.00 N ATOM 295 NH2 ARG A 23 4.621 1.701 -12.810 1.00 0.00 N ATOM 0 H ARG A 23 2.177 -3.142 -7.104 1.00 0.00 H new ATOM 0 HA ARG A 23 0.033 -1.520 -7.794 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.405 -0.887 -7.989 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.647 -2.080 -9.250 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.461 -0.843 -10.846 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.547 0.042 -9.642 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.027 1.726 -9.854 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.222 0.702 -9.083 1.00 0.00 H new ATOM 0 HE ARG A 23 3.392 -0.142 -11.677 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.343 3.059 -10.185 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.343 3.788 -11.446 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.675 0.804 -13.292 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.094 2.517 -13.198 1.00 0.00 H new ATOM 309 N GLU A 24 0.434 -4.085 -9.785 1.00 0.00 N ATOM 310 CA GLU A 24 -0.176 -4.837 -10.874 1.00 0.00 C ATOM 311 C GLU A 24 -1.354 -5.667 -10.369 1.00 0.00 C ATOM 312 O GLU A 24 -2.224 -6.065 -11.144 1.00 0.00 O ATOM 313 CB GLU A 24 0.858 -5.751 -11.535 1.00 0.00 C ATOM 314 CG GLU A 24 0.845 -5.688 -13.053 1.00 0.00 C ATOM 315 CD GLU A 24 1.754 -4.606 -13.600 1.00 0.00 C ATOM 316 OE1 GLU A 24 2.965 -4.640 -13.298 1.00 0.00 O ATOM 317 OE2 GLU A 24 1.255 -3.724 -14.330 1.00 0.00 O ATOM 0 H GLU A 24 1.205 -4.565 -9.321 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.545 -4.124 -11.611 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.851 -5.480 -11.177 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.675 -6.779 -11.221 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.152 -6.653 -13.455 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.174 -5.509 -13.397 1.00 0.00 H new ATOM 324 N PHE A 25 -1.375 -5.922 -9.065 1.00 0.00 N ATOM 325 CA PHE A 25 -2.444 -6.703 -8.456 1.00 0.00 C ATOM 326 C PHE A 25 -3.720 -5.876 -8.331 1.00 0.00 C ATOM 327 O PHE A 25 -4.745 -6.202 -8.930 1.00 0.00 O ATOM 328 CB PHE A 25 -2.013 -7.209 -7.077 1.00 0.00 C ATOM 329 CG PHE A 25 -3.032 -8.094 -6.418 1.00 0.00 C ATOM 330 CD1 PHE A 25 -3.021 -9.463 -6.630 1.00 0.00 C ATOM 331 CD2 PHE A 25 -4.000 -7.557 -5.584 1.00 0.00 C ATOM 332 CE1 PHE A 25 -3.959 -10.279 -6.025 1.00 0.00 C ATOM 333 CE2 PHE A 25 -4.940 -8.367 -4.976 1.00 0.00 C ATOM 334 CZ PHE A 25 -4.918 -9.731 -5.197 1.00 0.00 C ATOM 0 H PHE A 25 -0.663 -5.599 -8.410 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.648 -7.557 -9.102 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.077 -7.758 -7.177 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.814 -6.354 -6.431 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.272 -9.898 -7.275 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.020 -6.492 -5.407 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.941 -11.345 -6.200 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.690 -7.935 -4.330 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.650 -10.367 -4.722 1.00 0.00 H new ATOM 344 N PHE A 26 -3.649 -4.806 -7.547 1.00 0.00 N ATOM 345 CA PHE A 26 -4.798 -3.931 -7.342 1.00 0.00 C ATOM 346 C PHE A 26 -5.233 -3.287 -8.655 1.00 0.00 C ATOM 347 O PHE A 26 -6.279 -2.643 -8.726 1.00 0.00 O ATOM 348 CB PHE A 26 -4.463 -2.848 -6.315 1.00 0.00 C ATOM 349 CG PHE A 26 -4.328 -3.372 -4.913 1.00 0.00 C ATOM 350 CD1 PHE A 26 -5.446 -3.768 -4.197 1.00 0.00 C ATOM 351 CD2 PHE A 26 -3.084 -3.468 -4.313 1.00 0.00 C ATOM 352 CE1 PHE A 26 -5.325 -4.250 -2.908 1.00 0.00 C ATOM 353 CE2 PHE A 26 -2.956 -3.950 -3.024 1.00 0.00 C ATOM 354 CZ PHE A 26 -4.078 -4.342 -2.320 1.00 0.00 C ATOM 0 H PHE A 26 -2.808 -4.523 -7.043 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.622 -4.537 -6.965 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.532 -2.361 -6.603 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.242 -2.085 -6.336 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.423 -3.699 -4.652 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.203 -3.163 -4.859 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.205 -4.555 -2.360 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.980 -4.020 -2.568 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.981 -4.719 -1.313 1.00 0.00 H new ATOM 364 N SER A 27 -4.419 -3.463 -9.692 1.00 0.00 N ATOM 365 CA SER A 27 -4.717 -2.895 -11.001 1.00 0.00 C ATOM 366 C SER A 27 -6.056 -3.406 -11.524 1.00 0.00 C ATOM 367 O SER A 27 -6.731 -2.729 -12.299 1.00 0.00 O ATOM 368 CB SER A 27 -3.605 -3.239 -11.994 1.00 0.00 C ATOM 369 OG SER A 27 -3.833 -4.500 -12.599 1.00 0.00 O ATOM 0 H SER A 27 -3.549 -3.994 -9.650 1.00 0.00 H new ATOM 0 HA SER A 27 -4.778 -1.812 -10.894 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.549 -2.468 -12.763 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.644 -3.247 -11.480 1.00 0.00 H new ATOM 0 HG SER A 27 -3.432 -5.204 -12.048 1.00 0.00 H new ATOM 375 N GLN A 28 -6.434 -4.606 -11.093 1.00 0.00 N ATOM 376 CA GLN A 28 -7.692 -5.208 -11.518 1.00 0.00 C ATOM 377 C GLN A 28 -8.867 -4.613 -10.749 1.00 0.00 C ATOM 378 O GLN A 28 -9.962 -4.460 -11.292 1.00 0.00 O ATOM 379 CB GLN A 28 -7.650 -6.724 -11.314 1.00 0.00 C ATOM 380 CG GLN A 28 -7.961 -7.155 -9.889 1.00 0.00 C ATOM 381 CD GLN A 28 -7.758 -8.642 -9.673 1.00 0.00 C ATOM 382 OE1 GLN A 28 -8.573 -9.461 -10.100 1.00 0.00 O ATOM 383 NE2 GLN A 28 -6.667 -9.000 -9.005 1.00 0.00 N ATOM 0 H GLN A 28 -5.887 -5.179 -10.451 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.829 -4.994 -12.578 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.364 -7.193 -11.991 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.661 -7.092 -11.589 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.325 -6.601 -9.199 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.992 -6.894 -9.651 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.018 -8.288 -8.669 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.478 -9.987 -8.828 1.00 0.00 H new ATOM 392 N TYR A 29 -8.633 -4.279 -9.485 1.00 0.00 N ATOM 393 CA TYR A 29 -9.673 -3.702 -8.642 1.00 0.00 C ATOM 394 C TYR A 29 -10.007 -2.280 -9.083 1.00 0.00 C ATOM 395 O TYR A 29 -11.174 -1.916 -9.212 1.00 0.00 O ATOM 396 CB TYR A 29 -9.231 -3.704 -7.178 1.00 0.00 C ATOM 397 CG TYR A 29 -9.192 -5.082 -6.558 1.00 0.00 C ATOM 398 CD1 TYR A 29 -8.117 -5.935 -6.779 1.00 0.00 C ATOM 399 CD2 TYR A 29 -10.231 -5.533 -5.753 1.00 0.00 C ATOM 400 CE1 TYR A 29 -8.077 -7.195 -6.216 1.00 0.00 C ATOM 401 CE2 TYR A 29 -10.198 -6.791 -5.184 1.00 0.00 C ATOM 402 CZ TYR A 29 -9.120 -7.619 -5.418 1.00 0.00 C ATOM 403 OH TYR A 29 -9.085 -8.873 -4.855 1.00 0.00 O ATOM 0 H TYR A 29 -7.732 -4.398 -9.022 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.569 -4.314 -8.745 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.241 -3.254 -7.106 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.909 -3.075 -6.602 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.298 -5.606 -7.402 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.078 -4.889 -5.569 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.234 -7.845 -6.399 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.013 -7.125 -4.559 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.154 -9.134 -4.696 1.00 0.00 H new ATOM 413 N GLY A 30 -8.970 -1.481 -9.313 1.00 0.00 N ATOM 414 CA GLY A 30 -9.172 -0.107 -9.738 1.00 0.00 C ATOM 415 C GLY A 30 -7.908 0.520 -10.292 1.00 0.00 C ATOM 416 O GLY A 30 -6.883 -0.149 -10.428 1.00 0.00 O ATOM 0 H GLY A 30 -7.994 -1.760 -9.213 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.953 -0.076 -10.498 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.526 0.483 -8.893 1.00 0.00 H new ATOM 420 N ASP A 31 -7.980 1.806 -10.616 1.00 0.00 N ATOM 421 CA ASP A 31 -6.834 2.524 -11.160 1.00 0.00 C ATOM 422 C ASP A 31 -5.861 2.914 -10.051 1.00 0.00 C ATOM 423 O ASP A 31 -5.839 4.062 -9.606 1.00 0.00 O ATOM 424 CB ASP A 31 -7.296 3.772 -11.912 1.00 0.00 C ATOM 425 CG ASP A 31 -7.182 3.616 -13.416 1.00 0.00 C ATOM 426 OD1 ASP A 31 -6.053 3.403 -13.908 1.00 0.00 O ATOM 427 OD2 ASP A 31 -8.221 3.708 -14.102 1.00 0.00 O ATOM 0 H ASP A 31 -8.821 2.373 -10.511 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.318 1.861 -11.855 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.331 3.989 -11.649 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.700 4.627 -11.592 1.00 0.00 H new ATOM 432 N VAL A 32 -5.058 1.952 -9.609 1.00 0.00 N ATOM 433 CA VAL A 32 -4.084 2.194 -8.552 1.00 0.00 C ATOM 434 C VAL A 32 -3.042 3.217 -8.990 1.00 0.00 C ATOM 435 O VAL A 32 -2.153 2.911 -9.785 1.00 0.00 O ATOM 436 CB VAL A 32 -3.369 0.894 -8.138 1.00 0.00 C ATOM 437 CG1 VAL A 32 -2.734 0.225 -9.347 1.00 0.00 C ATOM 438 CG2 VAL A 32 -2.328 1.177 -7.066 1.00 0.00 C ATOM 0 H VAL A 32 -5.063 0.997 -9.967 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.636 2.584 -7.696 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.109 0.210 -7.722 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.234 -0.692 -9.035 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.506 -0.014 -10.078 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.006 0.901 -9.796 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.833 0.247 -6.785 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.589 1.879 -7.452 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.815 1.607 -6.191 1.00 0.00 H new ATOM 448 N MET A 33 -3.156 4.433 -8.466 1.00 0.00 N ATOM 449 CA MET A 33 -2.221 5.500 -8.802 1.00 0.00 C ATOM 450 C MET A 33 -0.779 5.016 -8.695 1.00 0.00 C ATOM 451 O MET A 33 -0.034 5.032 -9.675 1.00 0.00 O ATOM 452 CB MET A 33 -2.436 6.704 -7.882 1.00 0.00 C ATOM 453 CG MET A 33 -3.427 7.719 -8.429 1.00 0.00 C ATOM 454 SD MET A 33 -2.662 8.895 -9.561 1.00 0.00 S ATOM 455 CE MET A 33 -3.975 10.100 -9.736 1.00 0.00 C ATOM 0 H MET A 33 -3.886 4.704 -7.807 1.00 0.00 H new ATOM 0 HA MET A 33 -2.408 5.800 -9.833 1.00 0.00 H new ATOM 0 HB2 MET A 33 -2.788 6.351 -6.912 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.479 7.198 -7.714 1.00 0.00 H new ATOM 0 HG2 MET A 33 -4.231 7.194 -8.945 1.00 0.00 H new ATOM 0 HG3 MET A 33 -3.881 8.261 -7.600 1.00 0.00 H new ATOM 0 HE1 MET A 33 -3.653 10.894 -10.409 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.862 9.615 -10.145 1.00 0.00 H new ATOM 0 HE3 MET A 33 -4.211 10.525 -8.760 1.00 0.00 H new ATOM 465 N ASP A 34 -0.393 4.583 -7.499 1.00 0.00 N ATOM 466 CA ASP A 34 0.961 4.092 -7.265 1.00 0.00 C ATOM 467 C ASP A 34 1.033 3.301 -5.963 1.00 0.00 C ATOM 468 O ASP A 34 0.046 3.190 -5.235 1.00 0.00 O ATOM 469 CB ASP A 34 1.949 5.258 -7.224 1.00 0.00 C ATOM 470 CG ASP A 34 3.043 5.126 -8.265 1.00 0.00 C ATOM 471 OD1 ASP A 34 3.904 4.235 -8.112 1.00 0.00 O ATOM 472 OD2 ASP A 34 3.039 5.914 -9.234 1.00 0.00 O ATOM 0 H ASP A 34 -0.998 4.562 -6.678 1.00 0.00 H new ATOM 0 HA ASP A 34 1.229 3.429 -8.088 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.411 6.192 -7.383 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.399 5.314 -6.233 1.00 0.00 H new ATOM 477 N VAL A 35 2.210 2.752 -5.675 1.00 0.00 N ATOM 478 CA VAL A 35 2.412 1.972 -4.460 1.00 0.00 C ATOM 479 C VAL A 35 3.756 2.294 -3.818 1.00 0.00 C ATOM 480 O VAL A 35 4.808 1.907 -4.327 1.00 0.00 O ATOM 481 CB VAL A 35 2.341 0.460 -4.747 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.656 -0.337 -3.490 1.00 0.00 C ATOM 483 CG2 VAL A 35 0.973 0.086 -5.296 1.00 0.00 C ATOM 0 H VAL A 35 3.037 2.833 -6.267 1.00 0.00 H new ATOM 0 HA VAL A 35 1.611 2.242 -3.772 1.00 0.00 H new ATOM 0 HB VAL A 35 3.089 0.215 -5.501 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.601 -1.403 -3.712 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.660 -0.090 -3.144 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.933 -0.090 -2.712 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.941 -0.986 -5.493 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.205 0.344 -4.567 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.791 0.631 -6.222 1.00 0.00 H new ATOM 493 N PHE A 36 3.714 3.004 -2.696 1.00 0.00 N ATOM 494 CA PHE A 36 4.930 3.378 -1.982 1.00 0.00 C ATOM 495 C PHE A 36 5.076 2.573 -0.694 1.00 0.00 C ATOM 496 O PHE A 36 4.083 2.218 -0.057 1.00 0.00 O ATOM 497 CB PHE A 36 4.918 4.876 -1.663 1.00 0.00 C ATOM 498 CG PHE A 36 5.966 5.284 -0.668 1.00 0.00 C ATOM 499 CD1 PHE A 36 7.310 5.238 -0.999 1.00 0.00 C ATOM 500 CD2 PHE A 36 5.607 5.715 0.599 1.00 0.00 C ATOM 501 CE1 PHE A 36 8.277 5.612 -0.085 1.00 0.00 C ATOM 502 CE2 PHE A 36 6.568 6.091 1.518 1.00 0.00 C ATOM 503 CZ PHE A 36 7.905 6.041 1.175 1.00 0.00 C ATOM 0 H PHE A 36 2.852 3.332 -2.261 1.00 0.00 H new ATOM 0 HA PHE A 36 5.782 3.156 -2.625 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.066 5.437 -2.586 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.936 5.150 -1.277 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.606 4.906 -1.983 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.563 5.758 0.872 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.322 5.569 -0.355 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.274 6.423 2.503 1.00 0.00 H new ATOM 0 HZ PHE A 36 8.658 6.337 1.890 1.00 0.00 H new ATOM 513 N ILE A 37 6.317 2.289 -0.318 1.00 0.00 N ATOM 514 CA ILE A 37 6.592 1.527 0.893 1.00 0.00 C ATOM 515 C ILE A 37 7.256 2.400 1.954 1.00 0.00 C ATOM 516 O ILE A 37 8.470 2.602 1.957 1.00 0.00 O ATOM 517 CB ILE A 37 7.499 0.316 0.602 1.00 0.00 C ATOM 518 CG1 ILE A 37 6.737 -0.735 -0.208 1.00 0.00 C ATOM 519 CG2 ILE A 37 8.017 -0.282 1.902 1.00 0.00 C ATOM 520 CD1 ILE A 37 7.637 -1.751 -0.875 1.00 0.00 C ATOM 0 H ILE A 37 7.149 2.575 -0.835 1.00 0.00 H new ATOM 0 HA ILE A 37 5.632 1.172 1.266 1.00 0.00 H new ATOM 0 HB ILE A 37 8.353 0.652 0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.041 -1.255 0.450 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.141 -0.233 -0.970 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.656 -1.137 1.680 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.591 0.469 2.445 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.175 -0.607 2.514 1.00 0.00 H new ATOM 0 HD11 ILE A 37 7.030 -2.465 -1.432 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.316 -1.242 -1.559 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.214 -2.279 -0.116 1.00 0.00 H new ATOM 532 N PRO A 38 6.440 2.929 2.878 1.00 0.00 N ATOM 533 CA PRO A 38 6.925 3.787 3.963 1.00 0.00 C ATOM 534 C PRO A 38 7.747 3.016 4.989 1.00 0.00 C ATOM 535 O PRO A 38 7.322 1.971 5.483 1.00 0.00 O ATOM 536 CB PRO A 38 5.638 4.318 4.599 1.00 0.00 C ATOM 537 CG PRO A 38 4.607 3.289 4.279 1.00 0.00 C ATOM 538 CD PRO A 38 4.982 2.731 2.935 1.00 0.00 C ATOM 0 HA PRO A 38 7.590 4.569 3.597 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.751 4.444 5.676 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.366 5.291 4.191 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.590 2.505 5.036 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.610 3.730 4.254 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.716 1.677 2.849 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.473 3.255 2.126 1.00 0.00 H new ATOM 546 N LYS A 39 8.928 3.536 5.307 1.00 0.00 N ATOM 547 CA LYS A 39 9.810 2.898 6.276 1.00 0.00 C ATOM 548 C LYS A 39 9.758 3.620 7.618 1.00 0.00 C ATOM 549 O LYS A 39 9.477 4.817 7.696 1.00 0.00 O ATOM 550 CB LYS A 39 11.248 2.876 5.751 1.00 0.00 C ATOM 551 CG LYS A 39 11.430 2.018 4.511 1.00 0.00 C ATOM 552 CD LYS A 39 12.569 1.028 4.682 1.00 0.00 C ATOM 553 CE LYS A 39 12.619 0.032 3.532 1.00 0.00 C ATOM 554 NZ LYS A 39 13.829 -0.833 3.600 1.00 0.00 N ATOM 0 H LYS A 39 9.296 4.399 4.907 1.00 0.00 H new ATOM 0 HA LYS A 39 9.467 1.874 6.422 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.559 3.896 5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.907 2.508 6.537 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.506 1.479 4.301 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.628 2.657 3.651 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.515 1.566 4.740 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.449 0.492 5.624 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.725 -0.592 3.552 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.610 0.571 2.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.826 -1.497 2.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.682 -0.240 3.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.825 -1.366 4.493 1.00 0.00 H new ATOM 568 N PRO A 40 10.038 2.880 8.701 1.00 0.00 N ATOM 569 CA PRO A 40 10.375 1.455 8.621 1.00 0.00 C ATOM 570 C PRO A 40 9.178 0.599 8.224 1.00 0.00 C ATOM 571 O PRO A 40 8.105 0.696 8.822 1.00 0.00 O ATOM 572 CB PRO A 40 10.825 1.117 10.044 1.00 0.00 C ATOM 573 CG PRO A 40 10.141 2.119 10.908 1.00 0.00 C ATOM 574 CD PRO A 40 10.047 3.377 10.087 1.00 0.00 C ATOM 0 HA PRO A 40 11.131 1.257 7.862 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.542 0.100 10.317 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.908 1.184 10.143 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.151 1.770 11.202 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.704 2.293 11.825 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.143 3.941 10.318 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.892 4.041 10.270 1.00 0.00 H new ATOM 582 N PHE A 41 9.367 -0.240 7.210 1.00 0.00 N ATOM 583 CA PHE A 41 8.301 -1.114 6.733 1.00 0.00 C ATOM 584 C PHE A 41 8.100 -2.295 7.679 1.00 0.00 C ATOM 585 O PHE A 41 9.039 -3.037 7.969 1.00 0.00 O ATOM 586 CB PHE A 41 8.622 -1.623 5.326 1.00 0.00 C ATOM 587 CG PHE A 41 7.911 -2.897 4.972 1.00 0.00 C ATOM 588 CD1 PHE A 41 8.407 -4.121 5.389 1.00 0.00 C ATOM 589 CD2 PHE A 41 6.745 -2.870 4.222 1.00 0.00 C ATOM 590 CE1 PHE A 41 7.754 -5.297 5.066 1.00 0.00 C ATOM 591 CE2 PHE A 41 6.089 -4.042 3.896 1.00 0.00 C ATOM 592 CZ PHE A 41 6.594 -5.256 4.317 1.00 0.00 C ATOM 0 H PHE A 41 10.247 -0.333 6.703 1.00 0.00 H new ATOM 0 HA PHE A 41 7.378 -0.535 6.702 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.355 -0.854 4.601 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.697 -1.781 5.242 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.314 -4.158 5.973 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.345 -1.923 3.889 1.00 0.00 H new ATOM 0 HE1 PHE A 41 8.150 -6.245 5.399 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.181 -4.008 3.312 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.083 -6.172 4.061 1.00 0.00 H new ATOM 602 N ARG A 42 6.872 -2.460 8.157 1.00 0.00 N ATOM 603 CA ARG A 42 6.547 -3.547 9.071 1.00 0.00 C ATOM 604 C ARG A 42 5.377 -4.372 8.542 1.00 0.00 C ATOM 605 O ARG A 42 4.229 -4.156 8.927 1.00 0.00 O ATOM 606 CB ARG A 42 6.210 -2.994 10.456 1.00 0.00 C ATOM 607 CG ARG A 42 7.399 -2.373 11.171 1.00 0.00 C ATOM 608 CD ARG A 42 7.267 -2.493 12.681 1.00 0.00 C ATOM 609 NE ARG A 42 8.487 -3.009 13.298 1.00 0.00 N ATOM 610 CZ ARG A 42 8.880 -4.274 13.203 1.00 0.00 C ATOM 611 NH1 ARG A 42 8.154 -5.148 12.520 1.00 0.00 N ATOM 612 NH2 ARG A 42 10.002 -4.667 13.793 1.00 0.00 N ATOM 0 H ARG A 42 6.085 -1.854 7.926 1.00 0.00 H new ATOM 0 HA ARG A 42 7.420 -4.195 9.149 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.425 -2.245 10.357 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.807 -3.799 11.071 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.317 -2.862 10.845 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.483 -1.322 10.895 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.033 -1.516 13.103 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.433 -3.152 12.921 1.00 0.00 H new ATOM 0 HE ARG A 42 9.069 -2.362 13.831 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.291 -4.850 12.066 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.459 -6.119 12.449 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.563 -3.997 14.320 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.303 -5.639 13.720 1.00 0.00 H new ATOM 626 N ALA A 43 5.678 -5.318 7.658 1.00 0.00 N ATOM 627 CA ALA A 43 4.652 -6.175 7.077 1.00 0.00 C ATOM 628 C ALA A 43 3.451 -5.357 6.614 1.00 0.00 C ATOM 629 O ALA A 43 2.321 -5.846 6.604 1.00 0.00 O ATOM 630 CB ALA A 43 4.217 -7.231 8.081 1.00 0.00 C ATOM 0 H ALA A 43 6.624 -5.510 7.329 1.00 0.00 H new ATOM 0 HA ALA A 43 5.079 -6.671 6.205 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.450 -7.864 7.634 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.075 -7.842 8.361 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.813 -6.744 8.969 1.00 0.00 H new ATOM 636 N PHE A 44 3.703 -4.111 6.230 1.00 0.00 N ATOM 637 CA PHE A 44 2.642 -3.225 5.766 1.00 0.00 C ATOM 638 C PHE A 44 3.185 -2.196 4.777 1.00 0.00 C ATOM 639 O PHE A 44 4.313 -1.726 4.912 1.00 0.00 O ATOM 640 CB PHE A 44 1.989 -2.512 6.952 1.00 0.00 C ATOM 641 CG PHE A 44 2.650 -1.211 7.309 1.00 0.00 C ATOM 642 CD1 PHE A 44 2.545 -0.113 6.473 1.00 0.00 C ATOM 643 CD2 PHE A 44 3.379 -1.089 8.482 1.00 0.00 C ATOM 644 CE1 PHE A 44 3.152 1.086 6.799 1.00 0.00 C ATOM 645 CE2 PHE A 44 3.988 0.106 8.812 1.00 0.00 C ATOM 646 CZ PHE A 44 3.875 1.195 7.969 1.00 0.00 C ATOM 0 H PHE A 44 4.633 -3.691 6.231 1.00 0.00 H new ATOM 0 HA PHE A 44 1.893 -3.832 5.258 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.940 -2.326 6.721 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.012 -3.172 7.819 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.982 -0.194 5.555 1.00 0.00 H new ATOM 0 HD2 PHE A 44 3.472 -1.937 9.144 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.060 1.936 6.139 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.553 0.189 9.729 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.352 2.130 8.225 1.00 0.00 H new ATOM 656 N ALA A 45 2.373 -1.854 3.782 1.00 0.00 N ATOM 657 CA ALA A 45 2.769 -0.881 2.772 1.00 0.00 C ATOM 658 C ALA A 45 1.673 0.154 2.546 1.00 0.00 C ATOM 659 O ALA A 45 0.532 -0.033 2.969 1.00 0.00 O ATOM 660 CB ALA A 45 3.110 -1.586 1.468 1.00 0.00 C ATOM 0 H ALA A 45 1.436 -2.237 3.654 1.00 0.00 H new ATOM 0 HA ALA A 45 3.655 -0.358 3.133 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.404 -0.848 0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.933 -2.281 1.635 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.238 -2.134 1.112 1.00 0.00 H new ATOM 666 N PHE A 46 2.026 1.245 1.875 1.00 0.00 N ATOM 667 CA PHE A 46 1.071 2.312 1.594 1.00 0.00 C ATOM 668 C PHE A 46 0.751 2.375 0.103 1.00 0.00 C ATOM 669 O PHE A 46 1.639 2.577 -0.726 1.00 0.00 O ATOM 670 CB PHE A 46 1.624 3.658 2.066 1.00 0.00 C ATOM 671 CG PHE A 46 0.704 4.813 1.792 1.00 0.00 C ATOM 672 CD1 PHE A 46 -0.392 5.051 2.607 1.00 0.00 C ATOM 673 CD2 PHE A 46 0.935 5.661 0.721 1.00 0.00 C ATOM 674 CE1 PHE A 46 -1.240 6.112 2.356 1.00 0.00 C ATOM 675 CE2 PHE A 46 0.090 6.725 0.467 1.00 0.00 C ATOM 676 CZ PHE A 46 -0.998 6.951 1.286 1.00 0.00 C ATOM 0 H PHE A 46 2.965 1.414 1.516 1.00 0.00 H new ATOM 0 HA PHE A 46 0.151 2.095 2.137 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.820 3.606 3.137 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.580 3.841 1.576 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.585 4.400 3.447 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.785 5.489 0.077 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.092 6.285 2.996 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.281 7.379 -0.371 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.659 7.783 1.090 1.00 0.00 H new ATOM 686 N VAL A 47 -0.524 2.202 -0.231 1.00 0.00 N ATOM 687 CA VAL A 47 -0.962 2.239 -1.621 1.00 0.00 C ATOM 688 C VAL A 47 -1.933 3.391 -1.859 1.00 0.00 C ATOM 689 O VAL A 47 -2.803 3.666 -1.031 1.00 0.00 O ATOM 690 CB VAL A 47 -1.640 0.919 -2.032 1.00 0.00 C ATOM 691 CG1 VAL A 47 -1.910 0.900 -3.529 1.00 0.00 C ATOM 692 CG2 VAL A 47 -0.781 -0.269 -1.622 1.00 0.00 C ATOM 0 H VAL A 47 -1.272 2.035 0.442 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.070 2.385 -2.230 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.596 0.845 -1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.389 -0.041 -3.800 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.566 1.730 -3.791 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.969 0.997 -4.070 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.274 -1.194 -1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.190 -0.202 -2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.643 -0.263 -0.541 1.00 0.00 H new ATOM 702 N THR A 48 -1.780 4.061 -2.997 1.00 0.00 N ATOM 703 CA THR A 48 -2.642 5.184 -3.345 1.00 0.00 C ATOM 704 C THR A 48 -3.556 4.833 -4.514 1.00 0.00 C ATOM 705 O THR A 48 -3.129 4.204 -5.481 1.00 0.00 O ATOM 706 CB THR A 48 -1.819 6.433 -3.710 1.00 0.00 C ATOM 707 OG1 THR A 48 -0.980 6.806 -2.610 1.00 0.00 O ATOM 708 CG2 THR A 48 -2.730 7.594 -4.076 1.00 0.00 C ATOM 0 H THR A 48 -1.067 3.845 -3.694 1.00 0.00 H new ATOM 0 HA THR A 48 -3.247 5.402 -2.465 1.00 0.00 H new ATOM 0 HB THR A 48 -1.199 6.193 -4.574 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.297 6.367 -1.793 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.126 8.465 -4.330 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.346 7.318 -4.932 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.373 7.833 -3.229 1.00 0.00 H new ATOM 716 N PHE A 49 -4.817 5.244 -4.416 1.00 0.00 N ATOM 717 CA PHE A 49 -5.792 4.973 -5.466 1.00 0.00 C ATOM 718 C PHE A 49 -6.266 6.269 -6.115 1.00 0.00 C ATOM 719 O PHE A 49 -6.520 7.261 -5.433 1.00 0.00 O ATOM 720 CB PHE A 49 -6.988 4.207 -4.895 1.00 0.00 C ATOM 721 CG PHE A 49 -6.788 2.719 -4.866 1.00 0.00 C ATOM 722 CD1 PHE A 49 -6.651 2.002 -6.044 1.00 0.00 C ATOM 723 CD2 PHE A 49 -6.739 2.036 -3.662 1.00 0.00 C ATOM 724 CE1 PHE A 49 -6.468 0.633 -6.023 1.00 0.00 C ATOM 725 CE2 PHE A 49 -6.555 0.667 -3.634 1.00 0.00 C ATOM 726 CZ PHE A 49 -6.420 -0.037 -4.815 1.00 0.00 C ATOM 0 H PHE A 49 -5.187 5.765 -3.621 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.308 4.362 -6.228 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.185 4.559 -3.882 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.873 4.435 -5.489 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.688 2.520 -6.991 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.846 2.580 -2.735 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.363 0.087 -6.949 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.517 0.147 -2.688 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.277 -1.107 -4.794 1.00 0.00 H new ATOM 736 N ALA A 50 -6.383 6.252 -7.439 1.00 0.00 N ATOM 737 CA ALA A 50 -6.829 7.425 -8.182 1.00 0.00 C ATOM 738 C ALA A 50 -8.203 7.884 -7.709 1.00 0.00 C ATOM 739 O ALA A 50 -8.629 9.003 -8.001 1.00 0.00 O ATOM 740 CB ALA A 50 -6.853 7.127 -9.674 1.00 0.00 C ATOM 0 H ALA A 50 -6.175 5.439 -8.019 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.122 8.233 -7.996 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.188 8.011 -10.216 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.851 6.855 -10.007 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.537 6.301 -9.869 1.00 0.00 H new ATOM 746 N ASP A 51 -8.894 7.015 -6.979 1.00 0.00 N ATOM 747 CA ASP A 51 -10.221 7.333 -6.465 1.00 0.00 C ATOM 748 C ASP A 51 -10.374 6.858 -5.023 1.00 0.00 C ATOM 749 O ASP A 51 -10.067 5.710 -4.702 1.00 0.00 O ATOM 750 CB ASP A 51 -11.297 6.693 -7.343 1.00 0.00 C ATOM 751 CG ASP A 51 -12.474 7.618 -7.585 1.00 0.00 C ATOM 752 OD1 ASP A 51 -13.255 7.844 -6.638 1.00 0.00 O ATOM 753 OD2 ASP A 51 -12.613 8.115 -8.722 1.00 0.00 O ATOM 0 H ASP A 51 -8.557 6.085 -6.730 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.342 8.416 -6.486 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.859 6.409 -8.300 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.650 5.777 -6.870 1.00 0.00 H new ATOM 758 N ASP A 52 -10.850 7.748 -4.160 1.00 0.00 N ATOM 759 CA ASP A 52 -11.043 7.421 -2.752 1.00 0.00 C ATOM 760 C ASP A 52 -12.081 6.314 -2.589 1.00 0.00 C ATOM 761 O ASP A 52 -12.049 5.559 -1.618 1.00 0.00 O ATOM 762 CB ASP A 52 -11.477 8.663 -1.972 1.00 0.00 C ATOM 763 CG ASP A 52 -11.640 8.388 -0.490 1.00 0.00 C ATOM 764 OD1 ASP A 52 -12.467 7.523 -0.134 1.00 0.00 O ATOM 765 OD2 ASP A 52 -10.940 9.038 0.315 1.00 0.00 O ATOM 0 H ASP A 52 -11.110 8.702 -4.411 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.093 7.066 -2.353 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.740 9.453 -2.113 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.420 9.031 -2.376 1.00 0.00 H new ATOM 770 N GLN A 53 -12.999 6.226 -3.546 1.00 0.00 N ATOM 771 CA GLN A 53 -14.047 5.213 -3.507 1.00 0.00 C ATOM 772 C GLN A 53 -13.454 3.812 -3.610 1.00 0.00 C ATOM 773 O GLN A 53 -13.964 2.865 -3.010 1.00 0.00 O ATOM 774 CB GLN A 53 -15.048 5.441 -4.642 1.00 0.00 C ATOM 775 CG GLN A 53 -16.186 6.378 -4.269 1.00 0.00 C ATOM 776 CD GLN A 53 -17.541 5.701 -4.329 1.00 0.00 C ATOM 777 OE1 GLN A 53 -18.274 5.837 -5.310 1.00 0.00 O ATOM 778 NE2 GLN A 53 -17.883 4.966 -3.276 1.00 0.00 N ATOM 0 H GLN A 53 -13.038 6.843 -4.357 1.00 0.00 H new ATOM 0 HA GLN A 53 -14.565 5.299 -2.552 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -14.520 5.848 -5.504 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -15.464 4.481 -4.947 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -16.020 6.763 -3.263 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -16.182 7.235 -4.942 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -17.245 4.881 -2.485 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -18.783 4.487 -3.259 1.00 0.00 H new ATOM 787 N ILE A 54 -12.375 3.686 -4.376 1.00 0.00 N ATOM 788 CA ILE A 54 -11.713 2.400 -4.557 1.00 0.00 C ATOM 789 C ILE A 54 -10.940 1.999 -3.305 1.00 0.00 C ATOM 790 O ILE A 54 -10.809 0.815 -2.997 1.00 0.00 O ATOM 791 CB ILE A 54 -10.747 2.428 -5.756 1.00 0.00 C ATOM 792 CG1 ILE A 54 -11.479 2.893 -7.017 1.00 0.00 C ATOM 793 CG2 ILE A 54 -10.130 1.055 -5.971 1.00 0.00 C ATOM 794 CD1 ILE A 54 -10.552 3.218 -8.167 1.00 0.00 C ATOM 0 H ILE A 54 -11.941 4.459 -4.881 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.496 1.666 -4.749 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.945 3.135 -5.542 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -12.176 2.116 -7.331 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -12.073 3.776 -6.778 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.450 1.091 -6.822 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.579 0.760 -5.078 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.918 0.328 -6.167 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.139 3.541 -9.027 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.872 4.017 -7.871 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.977 2.331 -8.432 1.00 0.00 H new ATOM 806 N ALA A 55 -10.432 2.994 -2.585 1.00 0.00 N ATOM 807 CA ALA A 55 -9.676 2.746 -1.365 1.00 0.00 C ATOM 808 C ALA A 55 -10.601 2.374 -0.212 1.00 0.00 C ATOM 809 O ALA A 55 -10.341 1.421 0.521 1.00 0.00 O ATOM 810 CB ALA A 55 -8.842 3.967 -1.003 1.00 0.00 C ATOM 0 H ALA A 55 -10.531 3.980 -2.826 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.008 1.904 -1.546 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.282 3.767 -0.089 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.147 4.186 -1.814 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.499 4.823 -0.847 1.00 0.00 H new ATOM 816 N GLN A 56 -11.680 3.135 -0.057 1.00 0.00 N ATOM 817 CA GLN A 56 -12.643 2.885 1.010 1.00 0.00 C ATOM 818 C GLN A 56 -13.470 1.638 0.715 1.00 0.00 C ATOM 819 O GLN A 56 -13.638 0.774 1.576 1.00 0.00 O ATOM 820 CB GLN A 56 -13.564 4.093 1.187 1.00 0.00 C ATOM 821 CG GLN A 56 -13.492 4.716 2.572 1.00 0.00 C ATOM 822 CD GLN A 56 -14.712 4.403 3.417 1.00 0.00 C ATOM 823 OE1 GLN A 56 -15.825 4.821 3.098 1.00 0.00 O ATOM 824 NE2 GLN A 56 -14.507 3.663 4.501 1.00 0.00 N ATOM 0 H GLN A 56 -11.909 3.928 -0.656 1.00 0.00 H new ATOM 0 HA GLN A 56 -12.089 2.721 1.935 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -13.306 4.848 0.444 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -14.591 3.788 0.988 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -12.599 4.355 3.082 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -13.389 5.797 2.475 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -13.567 3.338 4.726 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -15.290 3.419 5.108 1.00 0.00 H new ATOM 833 N SER A 57 -13.986 1.551 -0.507 1.00 0.00 N ATOM 834 CA SER A 57 -14.800 0.413 -0.914 1.00 0.00 C ATOM 835 C SER A 57 -14.031 -0.894 -0.739 1.00 0.00 C ATOM 836 O SER A 57 -14.627 -1.965 -0.606 1.00 0.00 O ATOM 837 CB SER A 57 -15.240 0.567 -2.371 1.00 0.00 C ATOM 838 OG SER A 57 -16.216 -0.401 -2.715 1.00 0.00 O ATOM 0 H SER A 57 -13.854 2.256 -1.232 1.00 0.00 H new ATOM 0 HA SER A 57 -15.684 0.384 -0.277 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.644 1.567 -2.528 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.376 0.466 -3.028 1.00 0.00 H new ATOM 0 HG SER A 57 -16.481 -0.280 -3.651 1.00 0.00 H new ATOM 844 N LEU A 58 -12.706 -0.799 -0.741 1.00 0.00 N ATOM 845 CA LEU A 58 -11.855 -1.972 -0.582 1.00 0.00 C ATOM 846 C LEU A 58 -11.697 -2.336 0.891 1.00 0.00 C ATOM 847 O LEU A 58 -11.552 -3.508 1.240 1.00 0.00 O ATOM 848 CB LEU A 58 -10.481 -1.718 -1.206 1.00 0.00 C ATOM 849 CG LEU A 58 -10.299 -2.202 -2.645 1.00 0.00 C ATOM 850 CD1 LEU A 58 -8.917 -1.834 -3.160 1.00 0.00 C ATOM 851 CD2 LEU A 58 -10.520 -3.706 -2.734 1.00 0.00 C ATOM 0 H LEU A 58 -12.198 0.079 -0.851 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.332 -2.808 -1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.283 -0.647 -1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.727 -2.199 -0.584 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.042 -1.708 -3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.805 -2.186 -4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.795 -0.751 -3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.158 -2.300 -2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.386 -4.033 -3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.801 -4.218 -2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.531 -3.945 -2.406 1.00 0.00 H new ATOM 863 N CYS A 59 -11.728 -1.323 1.751 1.00 0.00 N ATOM 864 CA CYS A 59 -11.589 -1.536 3.188 1.00 0.00 C ATOM 865 C CYS A 59 -12.594 -2.570 3.683 1.00 0.00 C ATOM 866 O CYS A 59 -13.773 -2.523 3.334 1.00 0.00 O ATOM 867 CB CYS A 59 -11.782 -0.218 3.940 1.00 0.00 C ATOM 868 SG CYS A 59 -10.538 1.037 3.560 1.00 0.00 S ATOM 0 H CYS A 59 -11.848 -0.347 1.479 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.584 -1.912 3.380 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -12.769 0.181 3.705 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.766 -0.418 5.011 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.367 1.103 2.273 1.00 0.00 H new ATOM 874 N GLY A 60 -12.119 -3.506 4.499 1.00 0.00 N ATOM 875 CA GLY A 60 -12.989 -4.541 5.028 1.00 0.00 C ATOM 876 C GLY A 60 -13.028 -5.773 4.145 1.00 0.00 C ATOM 877 O GLY A 60 -13.649 -6.775 4.497 1.00 0.00 O ATOM 0 H GLY A 60 -11.147 -3.566 4.803 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.649 -4.823 6.025 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.998 -4.143 5.136 1.00 0.00 H new ATOM 881 N GLU A 61 -12.363 -5.698 2.997 1.00 0.00 N ATOM 882 CA GLU A 61 -12.327 -6.816 2.061 1.00 0.00 C ATOM 883 C GLU A 61 -11.034 -7.612 2.213 1.00 0.00 C ATOM 884 O GLU A 61 -9.939 -7.049 2.178 1.00 0.00 O ATOM 885 CB GLU A 61 -12.462 -6.310 0.623 1.00 0.00 C ATOM 886 CG GLU A 61 -13.733 -5.516 0.373 1.00 0.00 C ATOM 887 CD GLU A 61 -14.884 -6.389 -0.091 1.00 0.00 C ATOM 888 OE1 GLU A 61 -15.063 -7.486 0.480 1.00 0.00 O ATOM 889 OE2 GLU A 61 -15.604 -5.976 -1.023 1.00 0.00 O ATOM 0 H GLU A 61 -11.842 -4.876 2.692 1.00 0.00 H new ATOM 0 HA GLU A 61 -13.166 -7.474 2.288 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.601 -5.686 0.384 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.436 -7.162 -0.057 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -14.020 -4.999 1.289 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.537 -4.750 -0.378 1.00 0.00 H new ATOM 896 N ASP A 62 -11.170 -8.922 2.383 1.00 0.00 N ATOM 897 CA ASP A 62 -10.013 -9.797 2.540 1.00 0.00 C ATOM 898 C ASP A 62 -9.529 -10.307 1.187 1.00 0.00 C ATOM 899 O ASP A 62 -10.233 -11.052 0.505 1.00 0.00 O ATOM 900 CB ASP A 62 -10.360 -10.977 3.450 1.00 0.00 C ATOM 901 CG ASP A 62 -11.065 -10.542 4.720 1.00 0.00 C ATOM 902 OD1 ASP A 62 -10.428 -9.857 5.548 1.00 0.00 O ATOM 903 OD2 ASP A 62 -12.254 -10.885 4.884 1.00 0.00 O ATOM 0 H ASP A 62 -12.069 -9.402 2.416 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.210 -9.219 2.997 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.995 -11.676 2.907 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.447 -11.512 3.710 1.00 0.00 H new ATOM 908 N LEU A 63 -8.325 -9.899 0.803 1.00 0.00 N ATOM 909 CA LEU A 63 -7.746 -10.313 -0.470 1.00 0.00 C ATOM 910 C LEU A 63 -6.585 -11.278 -0.252 1.00 0.00 C ATOM 911 O LEU A 63 -6.014 -11.342 0.837 1.00 0.00 O ATOM 912 CB LEU A 63 -7.268 -9.092 -1.257 1.00 0.00 C ATOM 913 CG LEU A 63 -8.002 -7.781 -0.974 1.00 0.00 C ATOM 914 CD1 LEU A 63 -7.150 -6.592 -1.387 1.00 0.00 C ATOM 915 CD2 LEU A 63 -9.343 -7.754 -1.692 1.00 0.00 C ATOM 0 H LEU A 63 -7.730 -9.281 1.355 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.519 -10.826 -1.042 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.208 -8.944 -1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.357 -9.313 -2.321 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.186 -7.715 0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.689 -5.668 -1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.215 -6.602 -0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.934 -6.652 -2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.851 -6.813 -1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.182 -7.844 -2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.958 -8.585 -1.346 1.00 0.00 H new ATOM 927 N ILE A 64 -6.240 -12.026 -1.295 1.00 0.00 N ATOM 928 CA ILE A 64 -5.145 -12.984 -1.219 1.00 0.00 C ATOM 929 C ILE A 64 -4.062 -12.664 -2.242 1.00 0.00 C ATOM 930 O ILE A 64 -4.337 -12.554 -3.437 1.00 0.00 O ATOM 931 CB ILE A 64 -5.641 -14.425 -1.445 1.00 0.00 C ATOM 932 CG1 ILE A 64 -6.780 -14.753 -0.478 1.00 0.00 C ATOM 933 CG2 ILE A 64 -4.495 -15.412 -1.279 1.00 0.00 C ATOM 934 CD1 ILE A 64 -6.304 -15.289 0.855 1.00 0.00 C ATOM 0 H ILE A 64 -6.704 -11.987 -2.203 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.727 -12.906 -0.216 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.020 -14.508 -2.464 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.373 -13.854 -0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.440 -15.487 -0.941 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.861 -16.426 -1.442 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.714 -15.188 -2.005 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.088 -15.331 -0.271 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.164 -15.500 1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.736 -16.206 0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -5.668 -14.548 1.339 1.00 0.00 H new ATOM 946 N ILE A 65 -2.830 -12.519 -1.767 1.00 0.00 N ATOM 947 CA ILE A 65 -1.704 -12.216 -2.641 1.00 0.00 C ATOM 948 C ILE A 65 -0.573 -13.218 -2.449 1.00 0.00 C ATOM 949 O ILE A 65 0.129 -13.196 -1.438 1.00 0.00 O ATOM 950 CB ILE A 65 -1.164 -10.795 -2.390 1.00 0.00 C ATOM 951 CG1 ILE A 65 -2.291 -9.767 -2.517 1.00 0.00 C ATOM 952 CG2 ILE A 65 -0.038 -10.477 -3.363 1.00 0.00 C ATOM 953 CD1 ILE A 65 -1.893 -8.377 -2.073 1.00 0.00 C ATOM 0 H ILE A 65 -2.586 -12.607 -0.780 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.073 -12.281 -3.665 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.767 -10.747 -1.376 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.621 -9.728 -3.555 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.143 -10.099 -1.924 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.333 -9.470 -3.173 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.772 -11.194 -3.229 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.412 -10.539 -4.385 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.740 -7.701 -2.190 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.591 -8.402 -1.026 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.061 -8.025 -2.682 1.00 0.00 H new ATOM 965 N LYS A 66 -0.397 -14.100 -3.429 1.00 0.00 N ATOM 966 CA LYS A 66 0.652 -15.110 -3.371 1.00 0.00 C ATOM 967 C LYS A 66 0.252 -16.256 -2.446 1.00 0.00 C ATOM 968 O LYS A 66 1.016 -17.200 -2.246 1.00 0.00 O ATOM 969 CB LYS A 66 1.964 -14.487 -2.892 1.00 0.00 C ATOM 970 CG LYS A 66 2.144 -13.042 -3.324 1.00 0.00 C ATOM 971 CD LYS A 66 3.489 -12.826 -3.999 1.00 0.00 C ATOM 972 CE LYS A 66 3.460 -13.270 -5.453 1.00 0.00 C ATOM 973 NZ LYS A 66 4.791 -13.752 -5.913 1.00 0.00 N ATOM 0 H LYS A 66 -0.969 -14.135 -4.273 1.00 0.00 H new ATOM 0 HA LYS A 66 0.794 -15.509 -4.375 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.006 -14.540 -1.804 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.797 -15.078 -3.272 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.343 -12.763 -4.009 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.062 -12.389 -2.455 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.759 -11.771 -3.945 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.259 -13.381 -3.463 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.724 -14.065 -5.575 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.138 -12.438 -6.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.729 -14.045 -6.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.489 -12.986 -5.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.087 -14.562 -5.331 1.00 0.00 H new ATOM 987 N GLY A 67 -0.950 -16.167 -1.886 1.00 0.00 N ATOM 988 CA GLY A 67 -1.429 -17.204 -0.990 1.00 0.00 C ATOM 989 C GLY A 67 -1.712 -16.679 0.404 1.00 0.00 C ATOM 990 O GLY A 67 -2.435 -17.311 1.176 1.00 0.00 O ATOM 0 H GLY A 67 -1.601 -15.396 -2.036 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.338 -17.644 -1.401 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.687 -18.001 -0.932 1.00 0.00 H new ATOM 994 N ILE A 68 -1.142 -15.524 0.727 1.00 0.00 N ATOM 995 CA ILE A 68 -1.337 -14.917 2.038 1.00 0.00 C ATOM 996 C ILE A 68 -2.562 -14.009 2.046 1.00 0.00 C ATOM 997 O ILE A 68 -2.970 -13.489 1.007 1.00 0.00 O ATOM 998 CB ILE A 68 -0.104 -14.100 2.469 1.00 0.00 C ATOM 999 CG1 ILE A 68 0.038 -12.852 1.596 1.00 0.00 C ATOM 1000 CG2 ILE A 68 1.152 -14.955 2.390 1.00 0.00 C ATOM 1001 CD1 ILE A 68 -0.370 -11.575 2.296 1.00 0.00 C ATOM 0 H ILE A 68 -0.541 -14.989 0.099 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.487 -15.733 2.745 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.239 -13.783 3.503 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.074 -12.763 1.270 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.569 -12.975 0.699 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.015 -14.364 2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.048 -15.816 3.050 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.294 -15.299 1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.243 -10.732 1.617 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.415 -11.644 2.598 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.254 -11.428 3.178 1.00 0.00 H new ATOM 1013 N SER A 69 -3.144 -13.820 3.226 1.00 0.00 N ATOM 1014 CA SER A 69 -4.325 -12.976 3.370 1.00 0.00 C ATOM 1015 C SER A 69 -3.942 -11.590 3.878 1.00 0.00 C ATOM 1016 O SER A 69 -3.263 -11.454 4.896 1.00 0.00 O ATOM 1017 CB SER A 69 -5.327 -13.624 4.327 1.00 0.00 C ATOM 1018 OG SER A 69 -6.609 -13.033 4.199 1.00 0.00 O ATOM 0 H SER A 69 -2.817 -14.240 4.096 1.00 0.00 H new ATOM 0 HA SER A 69 -4.788 -12.869 2.389 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.393 -14.692 4.121 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.975 -13.519 5.353 1.00 0.00 H new ATOM 0 HG SER A 69 -7.232 -13.465 4.820 1.00 0.00 H new ATOM 1024 N VAL A 70 -4.384 -10.561 3.161 1.00 0.00 N ATOM 1025 CA VAL A 70 -4.090 -9.184 3.539 1.00 0.00 C ATOM 1026 C VAL A 70 -5.366 -8.422 3.878 1.00 0.00 C ATOM 1027 O VAL A 70 -6.402 -8.609 3.238 1.00 0.00 O ATOM 1028 CB VAL A 70 -3.346 -8.440 2.413 1.00 0.00 C ATOM 1029 CG1 VAL A 70 -1.934 -8.985 2.255 1.00 0.00 C ATOM 1030 CG2 VAL A 70 -4.117 -8.545 1.105 1.00 0.00 C ATOM 0 H VAL A 70 -4.947 -10.655 2.316 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.451 -9.228 4.421 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.275 -7.386 2.682 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.424 -8.448 1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.386 -8.853 3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.979 -10.046 2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.577 -8.014 0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.221 -9.594 0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.105 -8.102 1.229 1.00 0.00 H new ATOM 1040 N HIS A 71 -5.285 -7.564 4.890 1.00 0.00 N ATOM 1041 CA HIS A 71 -6.435 -6.772 5.314 1.00 0.00 C ATOM 1042 C HIS A 71 -6.298 -5.325 4.851 1.00 0.00 C ATOM 1043 O HIS A 71 -5.341 -4.637 5.206 1.00 0.00 O ATOM 1044 CB HIS A 71 -6.580 -6.821 6.835 1.00 0.00 C ATOM 1045 CG HIS A 71 -7.773 -6.075 7.347 1.00 0.00 C ATOM 1046 ND1 HIS A 71 -8.982 -6.681 7.613 1.00 0.00 N ATOM 1047 CD2 HIS A 71 -7.938 -4.765 7.644 1.00 0.00 C ATOM 1048 CE1 HIS A 71 -9.840 -5.776 8.050 1.00 0.00 C ATOM 1049 NE2 HIS A 71 -9.230 -4.604 8.079 1.00 0.00 N ATOM 0 H HIS A 71 -4.436 -7.399 5.431 1.00 0.00 H new ATOM 0 HA HIS A 71 -7.328 -7.198 4.857 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.649 -7.862 7.152 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.680 -6.408 7.291 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -7.191 -3.990 7.555 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.865 -5.962 8.335 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -9.651 -3.724 8.376 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.262 -4.871 4.055 1.00 0.00 N ATOM 1058 CA ILE A 72 -7.249 -3.506 3.544 1.00 0.00 C ATOM 1059 C ILE A 72 -8.003 -2.563 4.474 1.00 0.00 C ATOM 1060 O ILE A 72 -9.146 -2.827 4.849 1.00 0.00 O ATOM 1061 CB ILE A 72 -7.871 -3.427 2.137 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -7.301 -4.528 1.241 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -7.620 -2.057 1.524 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -5.851 -4.314 0.867 1.00 0.00 C ATOM 0 H ILE A 72 -8.060 -5.428 3.751 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.204 -3.199 3.489 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.948 -3.575 2.223 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.398 -5.487 1.751 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.897 -4.589 0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.065 -2.016 0.530 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.068 -1.289 2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.547 -1.883 1.448 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.515 -5.133 0.231 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.749 -3.372 0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.243 -4.283 1.771 1.00 0.00 H new ATOM 1076 N SER A 73 -7.358 -1.462 4.843 1.00 0.00 N ATOM 1077 CA SER A 73 -7.967 -0.480 5.732 1.00 0.00 C ATOM 1078 C SER A 73 -7.558 0.937 5.338 1.00 0.00 C ATOM 1079 O SER A 73 -6.553 1.138 4.659 1.00 0.00 O ATOM 1080 CB SER A 73 -7.565 -0.754 7.183 1.00 0.00 C ATOM 1081 OG SER A 73 -8.628 -1.351 7.902 1.00 0.00 O ATOM 0 H SER A 73 -6.413 -1.227 4.540 1.00 0.00 H new ATOM 0 HA SER A 73 -9.050 -0.566 5.640 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.694 -1.409 7.205 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.274 0.179 7.666 1.00 0.00 H new ATOM 0 HG SER A 73 -8.345 -1.518 8.825 1.00 0.00 H new