USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 394 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 45 MET CE :methyl 176:sc= -1.84 (180deg=-1.91) USER MOD Set 1.2: A 51 TYR OH : rot 40:sc= 0.0719 USER MOD Single : A 8 LYS NZ :NH3+ -128:sc= -1.24 (180deg=-5.42!) USER MOD Single : A 10 MET CE :methyl -134:sc= -0.557 (180deg=-4.83!) USER MOD Single : A 16 TYR OH : rot 120:sc= -0.36 USER MOD Single : A 40 MET CE :methyl -121:sc= -1.01 (180deg=-4.54!) USER MOD Single : A 42 TYR OH : rot -106:sc= 0.274 USER MOD Single : A 48 GLN : amide:sc=-0.00488 X(o=-0.0049,f=-0.0061) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-2.3) USER MOD Single : A 69 HIS : no HD1:sc= -0.0192 X(o=-0.019,f=-0.049) USER MOD Single : A 70 MET CE :methyl -129:sc= -0.269 (180deg=-1.23) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -0.133 -9.417 0.685 1.00 0.00 N ATOM 67 CA LYS A 8 -1.177 -9.217 -0.313 1.00 0.00 C ATOM 68 C LYS A 8 -0.688 -8.312 -1.439 1.00 0.00 C ATOM 69 O LYS A 8 0.318 -7.617 -1.296 1.00 0.00 O ATOM 70 CB LYS A 8 -2.424 -8.612 0.337 1.00 0.00 C ATOM 71 CG LYS A 8 -3.726 -9.101 -0.272 1.00 0.00 C ATOM 72 CD LYS A 8 -4.651 -7.945 -0.615 1.00 0.00 C ATOM 73 CE LYS A 8 -5.125 -7.222 0.636 1.00 0.00 C ATOM 74 NZ LYS A 8 -4.367 -5.962 0.869 1.00 0.00 N ATOM 0 HA LYS A 8 -1.431 -10.189 -0.736 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.419 -8.848 1.401 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.378 -7.526 0.251 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.514 -9.677 -1.172 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.225 -9.773 0.426 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.132 -7.243 -1.268 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.512 -8.318 -1.169 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.187 -6.995 0.544 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.013 -7.878 1.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.999 -5.953 1.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.574 -5.904 0.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.998 -5.147 0.730 1.00 0.00 H new ATOM 88 N ILE A 9 -1.406 -8.325 -2.557 1.00 0.00 N ATOM 89 CA ILE A 9 -1.046 -7.504 -3.706 1.00 0.00 C ATOM 90 C ILE A 9 -2.208 -6.613 -4.131 1.00 0.00 C ATOM 91 O ILE A 9 -3.278 -7.102 -4.492 1.00 0.00 O ATOM 92 CB ILE A 9 -0.612 -8.370 -4.903 1.00 0.00 C ATOM 93 CG1 ILE A 9 0.429 -9.401 -4.465 1.00 0.00 C ATOM 94 CG2 ILE A 9 -0.061 -7.493 -6.019 1.00 0.00 C ATOM 95 CD1 ILE A 9 0.890 -10.308 -5.584 1.00 0.00 C ATOM 0 H ILE A 9 -2.241 -8.895 -2.691 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.207 -6.880 -3.397 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.484 -8.902 -5.282 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.293 -8.880 -4.051 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.010 -10.010 -3.664 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.242 -8.119 -6.858 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.831 -6.795 -6.347 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.801 -6.936 -5.652 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.627 -11.013 -5.200 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.037 -10.856 -5.983 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.339 -9.709 -6.376 1.00 0.00 H new ATOM 107 N MET A 10 -1.989 -5.303 -4.087 1.00 0.00 N ATOM 108 CA MET A 10 -3.017 -4.343 -4.471 1.00 0.00 C ATOM 109 C MET A 10 -2.454 -3.294 -5.424 1.00 0.00 C ATOM 110 O MET A 10 -1.238 -3.126 -5.528 1.00 0.00 O ATOM 111 CB MET A 10 -3.599 -3.662 -3.230 1.00 0.00 C ATOM 112 CG MET A 10 -4.129 -4.639 -2.193 1.00 0.00 C ATOM 113 SD MET A 10 -5.931 -4.670 -2.126 1.00 0.00 S ATOM 114 CE MET A 10 -6.274 -3.029 -1.498 1.00 0.00 C ATOM 0 H MET A 10 -1.109 -4.882 -3.789 1.00 0.00 H new ATOM 0 HA MET A 10 -3.811 -4.885 -4.985 1.00 0.00 H new ATOM 0 HB2 MET A 10 -2.829 -3.041 -2.772 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.406 -2.996 -3.536 1.00 0.00 H new ATOM 0 HG2 MET A 10 -3.760 -5.639 -2.420 1.00 0.00 H new ATOM 0 HG3 MET A 10 -3.737 -4.370 -1.212 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.013 -3.092 -0.700 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.356 -2.589 -1.108 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.662 -2.405 -2.303 1.00 0.00 H new ATOM 124 N ILE A 11 -3.343 -2.590 -6.115 1.00 0.00 N ATOM 125 CA ILE A 11 -2.933 -1.557 -7.058 1.00 0.00 C ATOM 126 C ILE A 11 -3.538 -0.206 -6.691 1.00 0.00 C ATOM 127 O ILE A 11 -4.705 -0.120 -6.309 1.00 0.00 O ATOM 128 CB ILE A 11 -3.343 -1.915 -8.499 1.00 0.00 C ATOM 129 CG1 ILE A 11 -2.499 -3.082 -9.017 1.00 0.00 C ATOM 130 CG2 ILE A 11 -3.196 -0.704 -9.408 1.00 0.00 C ATOM 131 CD1 ILE A 11 -3.001 -3.658 -10.322 1.00 0.00 C ATOM 0 H ILE A 11 -4.352 -2.716 -6.040 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.846 -1.493 -7.003 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.390 -2.219 -8.498 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.471 -2.745 -9.149 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.482 -3.870 -8.264 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.489 -0.973 -10.423 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.835 0.102 -9.047 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.158 -0.372 -9.407 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.355 -4.481 -10.629 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.019 -4.025 -10.190 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.992 -2.884 -11.089 1.00 0.00 H new ATOM 143 N ALA A 12 -2.737 0.847 -6.811 1.00 0.00 N ATOM 144 CA ALA A 12 -3.194 2.195 -6.496 1.00 0.00 C ATOM 145 C ALA A 12 -4.193 2.693 -7.534 1.00 0.00 C ATOM 146 O ALA A 12 -3.810 3.122 -8.622 1.00 0.00 O ATOM 147 CB ALA A 12 -2.010 3.146 -6.402 1.00 0.00 C ATOM 0 H ALA A 12 -1.768 0.793 -7.124 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.698 2.164 -5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.367 4.149 -6.166 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.333 2.808 -5.617 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.481 3.164 -7.355 1.00 0.00 H new ATOM 153 N ALA A 13 -5.476 2.632 -7.191 1.00 0.00 N ATOM 154 CA ALA A 13 -6.530 3.078 -8.094 1.00 0.00 C ATOM 155 C ALA A 13 -6.368 4.554 -8.440 1.00 0.00 C ATOM 156 O ALA A 13 -6.878 5.023 -9.458 1.00 0.00 O ATOM 157 CB ALA A 13 -7.897 2.825 -7.475 1.00 0.00 C ATOM 0 H ALA A 13 -5.810 2.278 -6.295 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.450 2.505 -9.018 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.675 3.163 -8.160 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.019 1.759 -7.285 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.978 3.372 -6.536 1.00 0.00 H new ATOM 163 N LEU A 14 -5.657 5.282 -7.586 1.00 0.00 N ATOM 164 CA LEU A 14 -5.429 6.707 -7.801 1.00 0.00 C ATOM 165 C LEU A 14 -4.005 7.094 -7.416 1.00 0.00 C ATOM 166 O LEU A 14 -3.317 6.352 -6.714 1.00 0.00 O ATOM 167 CB LEU A 14 -6.431 7.532 -6.993 1.00 0.00 C ATOM 168 CG LEU A 14 -7.909 7.273 -7.290 1.00 0.00 C ATOM 169 CD1 LEU A 14 -8.725 7.305 -6.007 1.00 0.00 C ATOM 170 CD2 LEU A 14 -8.438 8.293 -8.288 1.00 0.00 C ATOM 0 H LEU A 14 -5.229 4.909 -6.739 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.568 6.916 -8.862 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.256 7.344 -5.934 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.226 8.588 -7.167 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.004 6.281 -7.731 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.774 7.119 -6.238 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.362 6.536 -5.325 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.625 8.283 -5.537 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.491 8.094 -8.488 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.330 9.296 -7.875 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.872 8.221 -9.217 1.00 0.00 H new ATOM 182 N ASP A 15 -3.570 8.262 -7.876 1.00 0.00 N ATOM 183 CA ASP A 15 -2.229 8.750 -7.577 1.00 0.00 C ATOM 184 C ASP A 15 -2.173 9.364 -6.181 1.00 0.00 C ATOM 185 O ASP A 15 -2.955 10.256 -5.853 1.00 0.00 O ATOM 186 CB ASP A 15 -1.794 9.782 -8.619 1.00 0.00 C ATOM 187 CG ASP A 15 -0.711 10.708 -8.100 1.00 0.00 C ATOM 188 OD1 ASP A 15 0.461 10.281 -8.050 1.00 0.00 O ATOM 189 OD2 ASP A 15 -1.037 11.860 -7.743 1.00 0.00 O ATOM 0 H ASP A 15 -4.127 8.888 -8.457 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.545 7.902 -7.610 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.431 9.266 -9.508 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.658 10.373 -8.924 1.00 0.00 H new ATOM 194 N TYR A 16 -1.245 8.879 -5.364 1.00 0.00 N ATOM 195 CA TYR A 16 -1.089 9.378 -4.003 1.00 0.00 C ATOM 196 C TYR A 16 0.248 10.092 -3.833 1.00 0.00 C ATOM 197 O TYR A 16 1.310 9.503 -4.041 1.00 0.00 O ATOM 198 CB TYR A 16 -1.196 8.227 -3.001 1.00 0.00 C ATOM 199 CG TYR A 16 -1.320 8.684 -1.565 1.00 0.00 C ATOM 200 CD1 TYR A 16 -2.147 9.747 -1.222 1.00 0.00 C ATOM 201 CD2 TYR A 16 -0.609 8.054 -0.551 1.00 0.00 C ATOM 202 CE1 TYR A 16 -2.262 10.168 0.088 1.00 0.00 C ATOM 203 CE2 TYR A 16 -0.720 8.468 0.762 1.00 0.00 C ATOM 204 CZ TYR A 16 -1.547 9.525 1.077 1.00 0.00 C ATOM 205 OH TYR A 16 -1.659 9.942 2.384 1.00 0.00 O ATOM 0 H TYR A 16 -0.589 8.141 -5.620 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.888 10.094 -3.812 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -2.061 7.615 -3.255 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.316 7.590 -3.096 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.709 10.252 -1.993 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.041 7.227 -0.794 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -2.908 10.997 0.337 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -0.162 7.966 1.538 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.997 9.205 2.935 1.00 0.00 H new ATOM 215 N ASP A 17 0.188 11.363 -3.454 1.00 0.00 N ATOM 216 CA ASP A 17 1.394 12.159 -3.254 1.00 0.00 C ATOM 217 C ASP A 17 1.429 12.749 -1.848 1.00 0.00 C ATOM 218 O ASP A 17 1.219 13.945 -1.645 1.00 0.00 O ATOM 219 CB ASP A 17 1.469 13.279 -4.293 1.00 0.00 C ATOM 220 CG ASP A 17 2.872 13.833 -4.447 1.00 0.00 C ATOM 221 OD1 ASP A 17 3.412 14.368 -3.456 1.00 0.00 O ATOM 222 OD2 ASP A 17 3.431 13.729 -5.559 1.00 0.00 O ATOM 0 H ASP A 17 -0.683 11.865 -3.279 1.00 0.00 H new ATOM 0 HA ASP A 17 2.257 11.504 -3.375 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.123 12.902 -5.255 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.793 14.084 -4.005 1.00 0.00 H new ATOM 227 N PRO A 18 1.699 11.892 -0.853 1.00 0.00 N ATOM 228 CA PRO A 18 1.767 12.305 0.552 1.00 0.00 C ATOM 229 C PRO A 18 2.984 13.177 0.841 1.00 0.00 C ATOM 230 O PRO A 18 3.060 13.828 1.882 1.00 0.00 O ATOM 231 CB PRO A 18 1.868 10.978 1.308 1.00 0.00 C ATOM 232 CG PRO A 18 2.467 10.029 0.328 1.00 0.00 C ATOM 233 CD PRO A 18 1.960 10.452 -1.022 1.00 0.00 C ATOM 0 HA PRO A 18 0.908 12.911 0.841 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.491 11.075 2.197 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.888 10.637 1.642 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.556 10.066 0.365 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.175 9.003 0.550 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.696 10.266 -1.804 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.056 9.910 -1.300 1.00 0.00 H new ATOM 368 N ARG A 30 4.470 8.035 4.760 1.00 0.00 N ATOM 369 CA ARG A 30 3.672 7.285 3.798 1.00 0.00 C ATOM 370 C ARG A 30 4.417 7.131 2.475 1.00 0.00 C ATOM 371 O ARG A 30 5.394 7.835 2.216 1.00 0.00 O ATOM 372 CB ARG A 30 2.330 7.981 3.562 1.00 0.00 C ATOM 373 CG ARG A 30 1.440 8.021 4.793 1.00 0.00 C ATOM 374 CD ARG A 30 0.634 9.309 4.856 1.00 0.00 C ATOM 375 NE ARG A 30 1.491 10.489 4.919 1.00 0.00 N ATOM 376 CZ ARG A 30 1.076 11.716 4.622 1.00 0.00 C ATOM 377 NH1 ARG A 30 -0.178 11.922 4.245 1.00 0.00 N ATOM 378 NH2 ARG A 30 1.916 12.740 4.704 1.00 0.00 N ATOM 0 HA ARG A 30 3.491 6.293 4.211 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.514 9.001 3.224 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.801 7.469 2.758 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.763 7.167 4.782 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.053 7.930 5.690 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.011 9.376 3.980 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.017 9.287 5.730 1.00 0.00 H new ATOM 0 HE ARG A 30 2.462 10.365 5.207 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.827 11.138 4.182 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.494 12.865 4.018 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.881 12.586 4.995 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.596 13.681 4.476 1.00 0.00 H new ATOM 392 N LEU A 31 3.950 6.208 1.642 1.00 0.00 N ATOM 393 CA LEU A 31 4.572 5.961 0.346 1.00 0.00 C ATOM 394 C LEU A 31 3.733 6.553 -0.782 1.00 0.00 C ATOM 395 O LEU A 31 2.513 6.391 -0.812 1.00 0.00 O ATOM 396 CB LEU A 31 4.759 4.459 0.125 1.00 0.00 C ATOM 397 CG LEU A 31 5.717 3.753 1.085 1.00 0.00 C ATOM 398 CD1 LEU A 31 5.662 2.247 0.883 1.00 0.00 C ATOM 399 CD2 LEU A 31 7.137 4.267 0.893 1.00 0.00 C ATOM 0 H LEU A 31 3.142 5.618 1.841 1.00 0.00 H new ATOM 0 HA LEU A 31 5.548 6.446 0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.784 3.977 0.197 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.117 4.304 -0.893 1.00 0.00 H new ATOM 0 HG LEU A 31 5.406 3.973 2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.350 1.762 1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.649 1.892 1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.947 2.007 -0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.806 3.754 1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.458 4.077 -0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.166 5.339 1.089 1.00 0.00 H new ATOM 411 N ALA A 32 4.395 7.236 -1.710 1.00 0.00 N ATOM 412 CA ALA A 32 3.711 7.847 -2.842 1.00 0.00 C ATOM 413 C ALA A 32 3.416 6.817 -3.927 1.00 0.00 C ATOM 414 O ALA A 32 4.328 6.311 -4.582 1.00 0.00 O ATOM 415 CB ALA A 32 4.543 8.988 -3.408 1.00 0.00 C ATOM 0 H ALA A 32 5.405 7.380 -1.700 1.00 0.00 H new ATOM 0 HA ALA A 32 2.760 8.245 -2.488 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.020 9.435 -4.253 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.698 9.742 -2.637 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.508 8.605 -3.740 1.00 0.00 H new ATOM 421 N LEU A 33 2.137 6.509 -4.111 1.00 0.00 N ATOM 422 CA LEU A 33 1.721 5.538 -5.117 1.00 0.00 C ATOM 423 C LEU A 33 1.255 6.237 -6.390 1.00 0.00 C ATOM 424 O LEU A 33 1.030 7.447 -6.398 1.00 0.00 O ATOM 425 CB LEU A 33 0.600 4.653 -4.567 1.00 0.00 C ATOM 426 CG LEU A 33 0.831 4.065 -3.175 1.00 0.00 C ATOM 427 CD1 LEU A 33 -0.425 3.370 -2.674 1.00 0.00 C ATOM 428 CD2 LEU A 33 2.006 3.098 -3.193 1.00 0.00 C ATOM 0 H LEU A 33 1.370 6.918 -3.577 1.00 0.00 H new ATOM 0 HA LEU A 33 2.581 4.915 -5.362 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.319 5.238 -4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.438 3.831 -5.264 1.00 0.00 H new ATOM 0 HG LEU A 33 1.067 4.881 -2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.242 2.958 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.243 4.089 -2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.692 2.564 -3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.156 2.689 -2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.798 2.286 -3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.906 3.625 -3.508 1.00 0.00 H new ATOM 440 N ARG A 34 1.109 5.466 -7.463 1.00 0.00 N ATOM 441 CA ARG A 34 0.668 6.012 -8.741 1.00 0.00 C ATOM 442 C ARG A 34 -0.418 5.137 -9.359 1.00 0.00 C ATOM 443 O ARG A 34 -0.487 3.937 -9.097 1.00 0.00 O ATOM 444 CB ARG A 34 1.851 6.131 -9.704 1.00 0.00 C ATOM 445 CG ARG A 34 1.498 6.799 -11.023 1.00 0.00 C ATOM 446 CD ARG A 34 0.987 8.215 -10.811 1.00 0.00 C ATOM 447 NE ARG A 34 1.997 9.077 -10.203 1.00 0.00 N ATOM 448 CZ ARG A 34 3.047 9.556 -10.861 1.00 0.00 C ATOM 449 NH1 ARG A 34 3.222 9.260 -12.141 1.00 0.00 N ATOM 450 NH2 ARG A 34 3.923 10.334 -10.238 1.00 0.00 N ATOM 0 H ARG A 34 1.290 4.462 -7.473 1.00 0.00 H new ATOM 0 HA ARG A 34 0.253 7.004 -8.561 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.646 6.698 -9.221 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.246 5.135 -9.905 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.377 6.821 -11.668 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.739 6.210 -11.538 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.680 8.636 -11.768 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.102 8.189 -10.175 1.00 0.00 H new ATOM 0 HE ARG A 34 1.890 9.325 -9.219 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.550 8.663 -12.623 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.029 9.629 -12.644 1.00 0.00 H new ATOM 0 HH21 ARG A 34 3.790 10.565 -9.253 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.729 10.701 -10.744 1.00 0.00 H new ATOM 464 N ALA A 35 -1.266 5.748 -10.180 1.00 0.00 N ATOM 465 CA ALA A 35 -2.348 5.025 -10.837 1.00 0.00 C ATOM 466 C ALA A 35 -1.822 3.798 -11.572 1.00 0.00 C ATOM 467 O ALA A 35 -1.254 3.909 -12.658 1.00 0.00 O ATOM 468 CB ALA A 35 -3.088 5.943 -11.800 1.00 0.00 C ATOM 0 H ALA A 35 -1.225 6.742 -10.406 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.043 4.685 -10.069 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.893 5.390 -12.284 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.506 6.786 -11.250 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.395 6.311 -12.557 1.00 0.00 H new ATOM 474 N GLY A 36 -2.014 2.627 -10.973 1.00 0.00 N ATOM 475 CA GLY A 36 -1.551 1.395 -11.585 1.00 0.00 C ATOM 476 C GLY A 36 -0.242 0.910 -10.995 1.00 0.00 C ATOM 477 O GLY A 36 0.569 0.294 -11.688 1.00 0.00 O ATOM 0 H GLY A 36 -2.482 2.509 -10.074 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.310 0.623 -11.460 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.428 1.550 -12.657 1.00 0.00 H new ATOM 481 N ASP A 37 -0.033 1.189 -9.713 1.00 0.00 N ATOM 482 CA ASP A 37 1.187 0.778 -9.030 1.00 0.00 C ATOM 483 C ASP A 37 0.933 -0.443 -8.151 1.00 0.00 C ATOM 484 O ASP A 37 0.373 -0.329 -7.060 1.00 0.00 O ATOM 485 CB ASP A 37 1.735 1.927 -8.182 1.00 0.00 C ATOM 486 CG ASP A 37 2.712 2.797 -8.949 1.00 0.00 C ATOM 487 OD1 ASP A 37 2.786 2.656 -10.187 1.00 0.00 O ATOM 488 OD2 ASP A 37 3.402 3.620 -8.310 1.00 0.00 O ATOM 0 H ASP A 37 -0.693 1.698 -9.126 1.00 0.00 H new ATOM 0 HA ASP A 37 1.925 0.512 -9.787 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.907 2.541 -7.828 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.230 1.520 -7.300 1.00 0.00 H new ATOM 493 N VAL A 38 1.347 -1.610 -8.633 1.00 0.00 N ATOM 494 CA VAL A 38 1.165 -2.852 -7.891 1.00 0.00 C ATOM 495 C VAL A 38 2.055 -2.890 -6.654 1.00 0.00 C ATOM 496 O VAL A 38 3.247 -3.184 -6.743 1.00 0.00 O ATOM 497 CB VAL A 38 1.471 -4.080 -8.769 1.00 0.00 C ATOM 498 CG1 VAL A 38 1.318 -5.362 -7.965 1.00 0.00 C ATOM 499 CG2 VAL A 38 0.569 -4.098 -9.993 1.00 0.00 C ATOM 0 H VAL A 38 1.811 -1.722 -9.534 1.00 0.00 H new ATOM 0 HA VAL A 38 0.120 -2.886 -7.583 1.00 0.00 H new ATOM 0 HB VAL A 38 2.504 -4.013 -9.109 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.538 -6.219 -8.601 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.010 -5.348 -7.123 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.296 -5.439 -7.594 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.799 -4.972 -10.602 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.473 -4.140 -9.676 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.733 -3.194 -10.580 1.00 0.00 H new ATOM 509 N VAL A 39 1.468 -2.589 -5.500 1.00 0.00 N ATOM 510 CA VAL A 39 2.208 -2.590 -4.243 1.00 0.00 C ATOM 511 C VAL A 39 1.849 -3.806 -3.396 1.00 0.00 C ATOM 512 O VAL A 39 0.714 -4.280 -3.421 1.00 0.00 O ATOM 513 CB VAL A 39 1.933 -1.312 -3.430 1.00 0.00 C ATOM 514 CG1 VAL A 39 0.453 -1.198 -3.096 1.00 0.00 C ATOM 515 CG2 VAL A 39 2.776 -1.295 -2.163 1.00 0.00 C ATOM 0 H VAL A 39 0.483 -2.341 -5.409 1.00 0.00 H new ATOM 0 HA VAL A 39 3.267 -2.628 -4.498 1.00 0.00 H new ATOM 0 HB VAL A 39 2.211 -0.450 -4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.279 -0.288 -2.521 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.126 -1.161 -4.019 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.145 -2.063 -2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.569 -0.385 -1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.531 -2.163 -1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.833 -1.325 -2.429 1.00 0.00 H new ATOM 525 N MET A 40 2.825 -4.305 -2.645 1.00 0.00 N ATOM 526 CA MET A 40 2.612 -5.465 -1.787 1.00 0.00 C ATOM 527 C MET A 40 2.525 -5.050 -0.322 1.00 0.00 C ATOM 528 O MET A 40 3.427 -4.397 0.203 1.00 0.00 O ATOM 529 CB MET A 40 3.741 -6.480 -1.975 1.00 0.00 C ATOM 530 CG MET A 40 3.688 -7.638 -0.992 1.00 0.00 C ATOM 531 SD MET A 40 4.339 -9.169 -1.687 1.00 0.00 S ATOM 532 CE MET A 40 2.830 -9.963 -2.234 1.00 0.00 C ATOM 0 H MET A 40 3.771 -3.925 -2.613 1.00 0.00 H new ATOM 0 HA MET A 40 1.667 -5.927 -2.072 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.699 -6.874 -2.990 1.00 0.00 H new ATOM 0 HB3 MET A 40 4.698 -5.969 -1.871 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.257 -7.378 -0.099 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.656 -7.796 -0.678 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.725 -10.927 -1.736 1.00 0.00 H new ATOM 0 HE2 MET A 40 1.976 -9.332 -1.987 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.869 -10.114 -3.313 1.00 0.00 H new ATOM 542 N VAL A 41 1.433 -5.431 0.333 1.00 0.00 N ATOM 543 CA VAL A 41 1.228 -5.099 1.738 1.00 0.00 C ATOM 544 C VAL A 41 1.455 -6.315 2.629 1.00 0.00 C ATOM 545 O VAL A 41 1.702 -7.418 2.141 1.00 0.00 O ATOM 546 CB VAL A 41 -0.190 -4.552 1.984 1.00 0.00 C ATOM 547 CG1 VAL A 41 -0.341 -3.166 1.378 1.00 0.00 C ATOM 548 CG2 VAL A 41 -1.233 -5.506 1.422 1.00 0.00 C ATOM 0 H VAL A 41 0.676 -5.970 -0.087 1.00 0.00 H new ATOM 0 HA VAL A 41 1.955 -4.327 1.991 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.348 -4.470 3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.350 -2.796 1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.382 -2.489 1.833 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.164 -3.217 0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.230 -5.104 1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.079 -5.622 0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.138 -6.477 1.909 1.00 0.00 H new ATOM 558 N TYR A 42 1.368 -6.106 3.938 1.00 0.00 N ATOM 559 CA TYR A 42 1.565 -7.185 4.898 1.00 0.00 C ATOM 560 C TYR A 42 0.707 -6.972 6.141 1.00 0.00 C ATOM 561 O TYR A 42 0.895 -6.008 6.882 1.00 0.00 O ATOM 562 CB TYR A 42 3.040 -7.281 5.293 1.00 0.00 C ATOM 563 CG TYR A 42 3.963 -7.555 4.127 1.00 0.00 C ATOM 564 CD1 TYR A 42 4.521 -6.512 3.398 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.276 -8.856 3.754 1.00 0.00 C ATOM 566 CE1 TYR A 42 5.364 -6.757 2.332 1.00 0.00 C ATOM 567 CE2 TYR A 42 5.119 -9.110 2.690 1.00 0.00 C ATOM 568 CZ TYR A 42 5.661 -8.058 1.982 1.00 0.00 C ATOM 569 OH TYR A 42 6.500 -8.307 0.920 1.00 0.00 O ATOM 0 H TYR A 42 1.162 -5.200 4.358 1.00 0.00 H new ATOM 0 HA TYR A 42 1.261 -8.118 4.425 1.00 0.00 H new ATOM 0 HB2 TYR A 42 3.340 -6.349 5.772 1.00 0.00 H new ATOM 0 HB3 TYR A 42 3.158 -8.073 6.033 1.00 0.00 H new ATOM 0 HD1 TYR A 42 4.292 -5.492 3.670 1.00 0.00 H new ATOM 0 HD2 TYR A 42 3.853 -9.683 4.305 1.00 0.00 H new ATOM 0 HE1 TYR A 42 5.788 -5.935 1.775 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.353 -10.128 2.414 1.00 0.00 H new ATOM 0 HH TYR A 42 5.977 -8.637 0.160 1.00 0.00 H new ATOM 579 N GLY A 43 -0.238 -7.881 6.364 1.00 0.00 N ATOM 580 CA GLY A 43 -1.111 -7.776 7.518 1.00 0.00 C ATOM 581 C GLY A 43 -2.211 -6.752 7.320 1.00 0.00 C ATOM 582 O GLY A 43 -2.347 -6.153 6.254 1.00 0.00 O ATOM 0 H GLY A 43 -0.414 -8.688 5.766 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.557 -8.749 7.722 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.520 -7.506 8.393 1.00 0.00 H new ATOM 586 N PRO A 44 -3.023 -6.540 8.368 1.00 0.00 N ATOM 587 CA PRO A 44 -4.132 -5.582 8.329 1.00 0.00 C ATOM 588 C PRO A 44 -3.648 -4.137 8.286 1.00 0.00 C ATOM 589 O PRO A 44 -2.457 -3.876 8.120 1.00 0.00 O ATOM 590 CB PRO A 44 -4.883 -5.856 9.634 1.00 0.00 C ATOM 591 CG PRO A 44 -3.858 -6.436 10.546 1.00 0.00 C ATOM 592 CD PRO A 44 -2.919 -7.219 9.670 1.00 0.00 C ATOM 0 HA PRO A 44 -4.744 -5.703 7.435 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.307 -4.941 10.046 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.710 -6.548 9.477 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.326 -5.652 11.085 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.321 -7.079 11.295 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -1.899 -7.198 10.054 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.212 -8.267 9.602 1.00 0.00 H new ATOM 600 N MET A 45 -4.580 -3.201 8.437 1.00 0.00 N ATOM 601 CA MET A 45 -4.247 -1.782 8.417 1.00 0.00 C ATOM 602 C MET A 45 -4.238 -1.205 9.829 1.00 0.00 C ATOM 603 O MET A 45 -4.486 -1.918 10.802 1.00 0.00 O ATOM 604 CB MET A 45 -5.244 -1.014 7.546 1.00 0.00 C ATOM 605 CG MET A 45 -6.670 -1.059 8.072 1.00 0.00 C ATOM 606 SD MET A 45 -7.666 -2.332 7.274 1.00 0.00 S ATOM 607 CE MET A 45 -8.165 -1.483 5.778 1.00 0.00 C ATOM 0 H MET A 45 -5.571 -3.400 8.574 1.00 0.00 H new ATOM 0 HA MET A 45 -3.248 -1.675 7.994 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.925 0.026 7.473 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.224 -1.425 6.537 1.00 0.00 H new ATOM 0 HG2 MET A 45 -6.651 -1.239 9.147 1.00 0.00 H new ATOM 0 HG3 MET A 45 -7.140 -0.087 7.920 1.00 0.00 H new ATOM 0 HE1 MET A 45 -8.730 -2.166 5.143 1.00 0.00 H new ATOM 0 HE2 MET A 45 -8.789 -0.627 6.036 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.280 -1.138 5.243 1.00 0.00 H new ATOM 617 N ASP A 46 -3.952 0.088 9.933 1.00 0.00 N ATOM 618 CA ASP A 46 -3.911 0.760 11.227 1.00 0.00 C ATOM 619 C ASP A 46 -5.274 1.350 11.576 1.00 0.00 C ATOM 620 O ASP A 46 -6.227 1.234 10.804 1.00 0.00 O ATOM 621 CB ASP A 46 -2.851 1.862 11.221 1.00 0.00 C ATOM 622 CG ASP A 46 -1.448 1.316 11.398 1.00 0.00 C ATOM 623 OD1 ASP A 46 -0.983 0.575 10.508 1.00 0.00 O ATOM 624 OD2 ASP A 46 -0.815 1.631 12.428 1.00 0.00 O ATOM 0 H ASP A 46 -3.745 0.692 9.137 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.650 0.021 11.984 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.908 2.412 10.282 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.065 2.572 12.020 1.00 0.00 H new ATOM 629 N ASP A 47 -5.360 1.980 12.742 1.00 0.00 N ATOM 630 CA ASP A 47 -6.606 2.588 13.193 1.00 0.00 C ATOM 631 C ASP A 47 -7.068 3.667 12.218 1.00 0.00 C ATOM 632 O ASP A 47 -8.267 3.868 12.023 1.00 0.00 O ATOM 633 CB ASP A 47 -6.430 3.187 14.589 1.00 0.00 C ATOM 634 CG ASP A 47 -7.730 3.230 15.368 1.00 0.00 C ATOM 635 OD1 ASP A 47 -8.627 2.413 15.071 1.00 0.00 O ATOM 636 OD2 ASP A 47 -7.851 4.080 16.275 1.00 0.00 O ATOM 0 H ASP A 47 -4.581 2.083 13.392 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.368 1.809 13.233 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.697 2.601 15.143 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.029 4.197 14.500 1.00 0.00 H new ATOM 641 N GLN A 48 -6.109 4.358 11.610 1.00 0.00 N ATOM 642 CA GLN A 48 -6.419 5.418 10.657 1.00 0.00 C ATOM 643 C GLN A 48 -6.901 4.835 9.333 1.00 0.00 C ATOM 644 O GLN A 48 -7.635 5.484 8.588 1.00 0.00 O ATOM 645 CB GLN A 48 -5.189 6.297 10.423 1.00 0.00 C ATOM 646 CG GLN A 48 -4.851 7.196 11.602 1.00 0.00 C ATOM 647 CD GLN A 48 -3.931 6.525 12.602 1.00 0.00 C ATOM 648 OE1 GLN A 48 -4.351 6.157 13.700 1.00 0.00 O ATOM 649 NE2 GLN A 48 -2.667 6.361 12.228 1.00 0.00 N ATOM 0 H GLN A 48 -5.112 4.203 11.760 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.219 6.028 11.077 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.332 5.659 10.206 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.357 6.916 9.541 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.380 8.108 11.235 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.772 7.493 12.104 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.361 6.681 11.309 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.002 5.915 12.860 1.00 0.00 H new ATOM 658 N GLY A 49 -6.484 3.606 9.046 1.00 0.00 N ATOM 659 CA GLY A 49 -6.883 2.957 7.811 1.00 0.00 C ATOM 660 C GLY A 49 -5.754 2.886 6.802 1.00 0.00 C ATOM 661 O GLY A 49 -5.976 3.033 5.600 1.00 0.00 O ATOM 0 H GLY A 49 -5.877 3.048 9.647 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.233 1.949 8.031 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.723 3.498 7.375 1.00 0.00 H new ATOM 665 N PHE A 50 -4.539 2.661 7.290 1.00 0.00 N ATOM 666 CA PHE A 50 -3.370 2.574 6.423 1.00 0.00 C ATOM 667 C PHE A 50 -2.745 1.184 6.490 1.00 0.00 C ATOM 668 O PHE A 50 -2.647 0.587 7.563 1.00 0.00 O ATOM 669 CB PHE A 50 -2.336 3.630 6.817 1.00 0.00 C ATOM 670 CG PHE A 50 -2.646 5.001 6.285 1.00 0.00 C ATOM 671 CD1 PHE A 50 -3.519 5.839 6.959 1.00 0.00 C ATOM 672 CD2 PHE A 50 -2.063 5.450 5.111 1.00 0.00 C ATOM 673 CE1 PHE A 50 -3.806 7.100 6.471 1.00 0.00 C ATOM 674 CE2 PHE A 50 -2.346 6.710 4.619 1.00 0.00 C ATOM 675 CZ PHE A 50 -3.218 7.536 5.300 1.00 0.00 C ATOM 0 H PHE A 50 -4.338 2.535 8.282 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.694 2.758 5.399 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.272 3.677 7.904 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.356 3.321 6.453 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.981 5.503 7.876 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.380 4.808 4.574 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.489 7.744 7.005 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.885 7.048 3.703 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.440 8.521 4.918 1.00 0.00 H new ATOM 685 N TYR A 51 -2.325 0.674 5.338 1.00 0.00 N ATOM 686 CA TYR A 51 -1.712 -0.647 5.265 1.00 0.00 C ATOM 687 C TYR A 51 -0.190 -0.545 5.315 1.00 0.00 C ATOM 688 O TYR A 51 0.378 0.532 5.132 1.00 0.00 O ATOM 689 CB TYR A 51 -2.144 -1.363 3.984 1.00 0.00 C ATOM 690 CG TYR A 51 -3.479 -2.063 4.104 1.00 0.00 C ATOM 691 CD1 TYR A 51 -3.704 -3.006 5.099 1.00 0.00 C ATOM 692 CD2 TYR A 51 -4.514 -1.783 3.220 1.00 0.00 C ATOM 693 CE1 TYR A 51 -4.922 -3.649 5.212 1.00 0.00 C ATOM 694 CE2 TYR A 51 -5.735 -2.420 3.326 1.00 0.00 C ATOM 695 CZ TYR A 51 -5.934 -3.352 4.323 1.00 0.00 C ATOM 696 OH TYR A 51 -7.149 -3.990 4.431 1.00 0.00 O ATOM 0 H TYR A 51 -2.398 1.155 4.442 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.048 -1.223 6.127 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.195 -0.638 3.172 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.383 -2.094 3.712 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.913 -3.241 5.796 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.361 -1.055 2.437 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.081 -4.380 5.992 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.530 -2.189 2.632 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.390 -4.077 5.377 1.00 0.00 H new ATOM 706 N TYR A 52 0.464 -1.674 5.563 1.00 0.00 N ATOM 707 CA TYR A 52 1.919 -1.714 5.639 1.00 0.00 C ATOM 708 C TYR A 52 2.508 -2.438 4.432 1.00 0.00 C ATOM 709 O TYR A 52 2.557 -3.667 4.394 1.00 0.00 O ATOM 710 CB TYR A 52 2.365 -2.403 6.929 1.00 0.00 C ATOM 711 CG TYR A 52 3.846 -2.275 7.204 1.00 0.00 C ATOM 712 CD1 TYR A 52 4.455 -1.028 7.273 1.00 0.00 C ATOM 713 CD2 TYR A 52 4.637 -3.402 7.394 1.00 0.00 C ATOM 714 CE1 TYR A 52 5.808 -0.907 7.523 1.00 0.00 C ATOM 715 CE2 TYR A 52 5.991 -3.290 7.646 1.00 0.00 C ATOM 716 CZ TYR A 52 6.572 -2.040 7.708 1.00 0.00 C ATOM 717 OH TYR A 52 7.920 -1.924 7.959 1.00 0.00 O ATOM 0 H TYR A 52 0.009 -2.574 5.715 1.00 0.00 H new ATOM 0 HA TYR A 52 2.286 -0.687 5.638 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.811 -1.980 7.767 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.104 -3.460 6.875 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.860 -0.138 7.129 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.186 -4.382 7.344 1.00 0.00 H new ATOM 0 HE1 TYR A 52 6.265 0.070 7.573 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.591 -4.176 7.794 1.00 0.00 H new ATOM 0 HH TYR A 52 8.311 -2.816 8.066 1.00 0.00 H new ATOM 727 N GLY A 53 2.956 -1.666 3.447 1.00 0.00 N ATOM 728 CA GLY A 53 3.537 -2.250 2.252 1.00 0.00 C ATOM 729 C GLY A 53 4.752 -1.486 1.765 1.00 0.00 C ATOM 730 O GLY A 53 5.225 -0.569 2.435 1.00 0.00 O ATOM 0 H GLY A 53 2.927 -0.646 3.455 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.819 -3.283 2.456 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.787 -2.275 1.462 1.00 0.00 H new ATOM 734 N GLU A 54 5.259 -1.866 0.597 1.00 0.00 N ATOM 735 CA GLU A 54 6.429 -1.211 0.023 1.00 0.00 C ATOM 736 C GLU A 54 6.374 -1.236 -1.502 1.00 0.00 C ATOM 737 O GLU A 54 6.036 -2.256 -2.106 1.00 0.00 O ATOM 738 CB GLU A 54 7.711 -1.891 0.509 1.00 0.00 C ATOM 739 CG GLU A 54 7.999 -3.212 -0.184 1.00 0.00 C ATOM 740 CD GLU A 54 9.232 -3.903 0.367 1.00 0.00 C ATOM 741 OE1 GLU A 54 9.468 -3.808 1.589 1.00 0.00 O ATOM 742 OE2 GLU A 54 9.961 -4.537 -0.425 1.00 0.00 O ATOM 0 H GLU A 54 4.879 -2.623 0.030 1.00 0.00 H new ATOM 0 HA GLU A 54 6.430 -0.172 0.352 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.552 -1.216 0.351 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.637 -2.062 1.583 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.138 -3.871 -0.074 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.132 -3.037 -1.252 1.00 0.00 H new ATOM 749 N LEU A 55 6.706 -0.108 -2.118 1.00 0.00 N ATOM 750 CA LEU A 55 6.694 0.002 -3.573 1.00 0.00 C ATOM 751 C LEU A 55 7.960 0.687 -4.078 1.00 0.00 C ATOM 752 O LEU A 55 8.173 1.874 -3.839 1.00 0.00 O ATOM 753 CB LEU A 55 5.461 0.779 -4.036 1.00 0.00 C ATOM 754 CG LEU A 55 5.360 1.046 -5.538 1.00 0.00 C ATOM 755 CD1 LEU A 55 4.550 -0.044 -6.221 1.00 0.00 C ATOM 756 CD2 LEU A 55 4.743 2.413 -5.796 1.00 0.00 C ATOM 0 H LEU A 55 6.987 0.744 -1.633 1.00 0.00 H new ATOM 0 HA LEU A 55 6.658 -1.005 -3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.572 0.230 -3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.443 1.736 -3.515 1.00 0.00 H new ATOM 0 HG LEU A 55 6.366 1.038 -5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.489 0.163 -7.289 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.034 -1.008 -6.065 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.546 -0.070 -5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.679 2.586 -6.870 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.744 2.449 -5.362 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.364 3.184 -5.341 1.00 0.00 H new ATOM 768 N GLY A 56 8.797 -0.072 -4.780 1.00 0.00 N ATOM 769 CA GLY A 56 10.031 0.480 -5.310 1.00 0.00 C ATOM 770 C GLY A 56 11.193 0.329 -4.349 1.00 0.00 C ATOM 771 O GLY A 56 12.183 1.054 -4.442 1.00 0.00 O ATOM 0 H GLY A 56 8.643 -1.058 -4.991 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.274 -0.017 -6.249 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.885 1.536 -5.536 1.00 0.00 H new ATOM 775 N GLY A 57 11.073 -0.616 -3.421 1.00 0.00 N ATOM 776 CA GLY A 57 12.129 -0.842 -2.451 1.00 0.00 C ATOM 777 C GLY A 57 12.037 0.098 -1.266 1.00 0.00 C ATOM 778 O GLY A 57 13.016 0.298 -0.545 1.00 0.00 O ATOM 0 H GLY A 57 10.264 -1.229 -3.324 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.080 -1.872 -2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 57 13.097 -0.717 -2.936 1.00 0.00 H new ATOM 782 N HIS A 58 10.859 0.680 -1.063 1.00 0.00 N ATOM 783 CA HIS A 58 10.644 1.605 0.044 1.00 0.00 C ATOM 784 C HIS A 58 9.397 1.225 0.836 1.00 0.00 C ATOM 785 O HIS A 58 8.294 1.176 0.290 1.00 0.00 O ATOM 786 CB HIS A 58 10.514 3.036 -0.479 1.00 0.00 C ATOM 787 CG HIS A 58 11.701 3.496 -1.268 1.00 0.00 C ATOM 788 ND1 HIS A 58 12.934 3.737 -0.701 1.00 0.00 N ATOM 789 CD2 HIS A 58 11.838 3.757 -2.589 1.00 0.00 C ATOM 790 CE1 HIS A 58 13.778 4.129 -1.639 1.00 0.00 C ATOM 791 NE2 HIS A 58 13.138 4.149 -2.794 1.00 0.00 N ATOM 0 H HIS A 58 10.039 0.527 -1.650 1.00 0.00 H new ATOM 0 HA HIS A 58 11.506 1.545 0.708 1.00 0.00 H new ATOM 0 HB2 HIS A 58 9.624 3.106 -1.104 1.00 0.00 H new ATOM 0 HB3 HIS A 58 10.365 3.710 0.365 1.00 0.00 H new ATOM 0 HD2 HIS A 58 11.068 3.673 -3.342 1.00 0.00 H new ATOM 0 HE1 HIS A 58 14.815 4.389 -1.487 1.00 0.00 H new ATOM 0 HE2 HIS A 58 13.543 4.413 -3.692 1.00 0.00 H new ATOM 799 N ARG A 59 9.579 0.955 2.124 1.00 0.00 N ATOM 800 CA ARG A 59 8.469 0.577 2.990 1.00 0.00 C ATOM 801 C ARG A 59 7.793 1.813 3.578 1.00 0.00 C ATOM 802 O ARG A 59 8.384 2.890 3.632 1.00 0.00 O ATOM 803 CB ARG A 59 8.961 -0.333 4.117 1.00 0.00 C ATOM 804 CG ARG A 59 9.134 -1.783 3.698 1.00 0.00 C ATOM 805 CD ARG A 59 9.870 -2.586 4.759 1.00 0.00 C ATOM 806 NE ARG A 59 10.695 -3.640 4.174 1.00 0.00 N ATOM 807 CZ ARG A 59 11.312 -4.573 4.890 1.00 0.00 C ATOM 808 NH1 ARG A 59 11.199 -4.582 6.211 1.00 0.00 N ATOM 809 NH2 ARG A 59 12.045 -5.499 4.285 1.00 0.00 N ATOM 0 H ARG A 59 10.485 0.991 2.591 1.00 0.00 H new ATOM 0 HA ARG A 59 7.739 0.036 2.388 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.914 0.045 4.488 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.255 -0.285 4.946 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.156 -2.229 3.516 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.685 -1.828 2.759 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.499 -1.918 5.348 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.147 -3.029 5.444 1.00 0.00 H new ATOM 0 HE ARG A 59 10.803 -3.661 3.160 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.637 -3.871 6.680 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.674 -5.300 6.759 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.135 -5.495 3.269 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.518 -6.215 4.836 1.00 0.00 H new ATOM 823 N GLY A 60 6.548 1.648 4.016 1.00 0.00 N ATOM 824 CA GLY A 60 5.812 2.757 4.593 1.00 0.00 C ATOM 825 C GLY A 60 4.315 2.516 4.604 1.00 0.00 C ATOM 826 O GLY A 60 3.825 1.576 3.976 1.00 0.00 O ATOM 0 H GLY A 60 6.037 0.766 3.981 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.157 2.927 5.613 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.027 3.664 4.029 1.00 0.00 H new ATOM 830 N LEU A 61 3.586 3.366 5.319 1.00 0.00 N ATOM 831 CA LEU A 61 2.136 3.240 5.411 1.00 0.00 C ATOM 832 C LEU A 61 1.468 3.679 4.112 1.00 0.00 C ATOM 833 O LEU A 61 1.743 4.762 3.595 1.00 0.00 O ATOM 834 CB LEU A 61 1.604 4.074 6.578 1.00 0.00 C ATOM 835 CG LEU A 61 1.758 3.457 7.968 1.00 0.00 C ATOM 836 CD1 LEU A 61 1.277 4.425 9.038 1.00 0.00 C ATOM 837 CD2 LEU A 61 0.997 2.142 8.055 1.00 0.00 C ATOM 0 H LEU A 61 3.975 4.150 5.843 1.00 0.00 H new ATOM 0 HA LEU A 61 1.898 2.191 5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.113 5.038 6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.546 4.271 6.405 1.00 0.00 H new ATOM 0 HG LEU A 61 2.815 3.254 8.139 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.394 3.969 10.021 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.866 5.341 8.991 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.226 4.660 8.870 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.118 1.717 9.051 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.061 2.320 7.862 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.388 1.445 7.314 1.00 0.00 H new ATOM 849 N VAL A 62 0.586 2.832 3.589 1.00 0.00 N ATOM 850 CA VAL A 62 -0.124 3.134 2.352 1.00 0.00 C ATOM 851 C VAL A 62 -1.620 3.292 2.602 1.00 0.00 C ATOM 852 O VAL A 62 -2.171 2.769 3.571 1.00 0.00 O ATOM 853 CB VAL A 62 0.095 2.034 1.297 1.00 0.00 C ATOM 854 CG1 VAL A 62 1.469 2.173 0.658 1.00 0.00 C ATOM 855 CG2 VAL A 62 -0.076 0.657 1.919 1.00 0.00 C ATOM 0 H VAL A 62 0.346 1.931 4.003 1.00 0.00 H new ATOM 0 HA VAL A 62 0.280 4.074 1.976 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.656 2.150 0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.606 1.387 -0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.549 3.147 0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.238 2.085 1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.082 -0.108 1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.651 0.527 2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.084 0.563 2.324 1.00 0.00 H new ATOM 865 N PRO A 63 -2.294 4.031 1.708 1.00 0.00 N ATOM 866 CA PRO A 63 -3.736 4.275 1.809 1.00 0.00 C ATOM 867 C PRO A 63 -4.557 3.019 1.537 1.00 0.00 C ATOM 868 O PRO A 63 -4.382 2.362 0.512 1.00 0.00 O ATOM 869 CB PRO A 63 -3.994 5.327 0.728 1.00 0.00 C ATOM 870 CG PRO A 63 -2.899 5.130 -0.262 1.00 0.00 C ATOM 871 CD PRO A 63 -1.701 4.684 0.529 1.00 0.00 C ATOM 0 HA PRO A 63 -4.027 4.593 2.810 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.973 5.190 0.268 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.975 6.334 1.144 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.175 4.383 -1.006 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.689 6.054 -0.801 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.077 3.995 -0.041 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -1.070 5.526 0.811 1.00 0.00 H new ATOM 879 N ALA A 64 -5.453 2.691 2.462 1.00 0.00 N ATOM 880 CA ALA A 64 -6.303 1.515 2.321 1.00 0.00 C ATOM 881 C ALA A 64 -7.597 1.858 1.592 1.00 0.00 C ATOM 882 O ALA A 64 -8.535 1.060 1.561 1.00 0.00 O ATOM 883 CB ALA A 64 -6.606 0.916 3.686 1.00 0.00 C ATOM 0 H ALA A 64 -5.609 3.224 3.318 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.765 0.778 1.725 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.242 0.039 3.565 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.674 0.625 4.171 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.120 1.654 4.301 1.00 0.00 H new ATOM 889 N HIS A 65 -7.643 3.051 1.005 1.00 0.00 N ATOM 890 CA HIS A 65 -8.824 3.499 0.276 1.00 0.00 C ATOM 891 C HIS A 65 -8.498 3.730 -1.196 1.00 0.00 C ATOM 892 O HIS A 65 -9.359 3.579 -2.064 1.00 0.00 O ATOM 893 CB HIS A 65 -9.375 4.784 0.896 1.00 0.00 C ATOM 894 CG HIS A 65 -8.362 5.882 0.997 1.00 0.00 C ATOM 895 ND1 HIS A 65 -7.350 5.888 1.934 1.00 0.00 N ATOM 896 CD2 HIS A 65 -8.208 7.014 0.271 1.00 0.00 C ATOM 897 CE1 HIS A 65 -6.618 6.978 1.780 1.00 0.00 C ATOM 898 NE2 HIS A 65 -7.118 7.677 0.778 1.00 0.00 N ATOM 0 H HIS A 65 -6.876 3.724 1.020 1.00 0.00 H new ATOM 0 HA HIS A 65 -9.581 2.718 0.344 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -10.218 5.133 0.300 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -9.759 4.562 1.892 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -8.827 7.336 -0.553 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -5.757 7.250 2.373 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -6.753 8.566 0.436 1.00 0.00 H new ATOM 906 N LEU A 66 -7.251 4.097 -1.471 1.00 0.00 N ATOM 907 CA LEU A 66 -6.812 4.350 -2.838 1.00 0.00 C ATOM 908 C LEU A 66 -6.506 3.043 -3.562 1.00 0.00 C ATOM 909 O LEU A 66 -6.735 2.919 -4.766 1.00 0.00 O ATOM 910 CB LEU A 66 -5.574 5.248 -2.839 1.00 0.00 C ATOM 911 CG LEU A 66 -5.755 6.641 -2.235 1.00 0.00 C ATOM 912 CD1 LEU A 66 -4.423 7.373 -2.172 1.00 0.00 C ATOM 913 CD2 LEU A 66 -6.768 7.443 -3.038 1.00 0.00 C ATOM 0 H LEU A 66 -6.526 4.226 -0.765 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.621 4.856 -3.365 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.779 4.738 -2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.233 5.362 -3.868 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.133 6.529 -1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.572 8.362 -1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.726 6.808 -1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.016 7.474 -3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.884 8.432 -2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.419 7.546 -4.065 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.728 6.927 -3.031 1.00 0.00 H new ATOM 925 N LEU A 67 -5.989 2.069 -2.821 1.00 0.00 N ATOM 926 CA LEU A 67 -5.654 0.769 -3.392 1.00 0.00 C ATOM 927 C LEU A 67 -6.904 0.062 -3.907 1.00 0.00 C ATOM 928 O LEU A 67 -8.027 0.477 -3.621 1.00 0.00 O ATOM 929 CB LEU A 67 -4.955 -0.104 -2.347 1.00 0.00 C ATOM 930 CG LEU A 67 -3.564 0.357 -1.910 1.00 0.00 C ATOM 931 CD1 LEU A 67 -2.951 -0.642 -0.941 1.00 0.00 C ATOM 932 CD2 LEU A 67 -2.662 0.552 -3.120 1.00 0.00 C ATOM 0 H LEU A 67 -5.793 2.155 -1.824 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.979 0.932 -4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.592 -0.159 -1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.873 -1.116 -2.744 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.663 1.314 -1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.961 -0.297 -0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.587 -0.732 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.865 -1.614 -1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.676 0.880 -2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.569 -0.390 -3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.094 1.306 -3.778 1.00 0.00 H new ATOM 944 N ASP A 68 -6.700 -1.008 -4.667 1.00 0.00 N ATOM 945 CA ASP A 68 -7.810 -1.776 -5.220 1.00 0.00 C ATOM 946 C ASP A 68 -7.511 -3.271 -5.180 1.00 0.00 C ATOM 947 O ASP A 68 -6.400 -3.701 -5.494 1.00 0.00 O ATOM 948 CB ASP A 68 -8.094 -1.338 -6.658 1.00 0.00 C ATOM 949 CG ASP A 68 -9.502 -1.685 -7.102 1.00 0.00 C ATOM 950 OD1 ASP A 68 -10.165 -2.480 -6.403 1.00 0.00 O ATOM 951 OD2 ASP A 68 -9.940 -1.160 -8.146 1.00 0.00 O ATOM 0 H ASP A 68 -5.777 -1.364 -4.914 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.692 -1.585 -4.609 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.944 -0.262 -6.743 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.377 -1.813 -7.328 1.00 0.00 H new ATOM 956 N HIS A 69 -8.508 -4.059 -4.791 1.00 0.00 N ATOM 957 CA HIS A 69 -8.351 -5.507 -4.709 1.00 0.00 C ATOM 958 C HIS A 69 -8.423 -6.140 -6.095 1.00 0.00 C ATOM 959 O HIS A 69 -9.502 -6.279 -6.670 1.00 0.00 O ATOM 960 CB HIS A 69 -9.428 -6.107 -3.805 1.00 0.00 C ATOM 961 CG HIS A 69 -9.425 -5.547 -2.416 1.00 0.00 C ATOM 962 ND1 HIS A 69 -8.896 -6.220 -1.335 1.00 0.00 N ATOM 963 CD2 HIS A 69 -9.888 -4.370 -1.935 1.00 0.00 C ATOM 964 CE1 HIS A 69 -9.036 -5.481 -0.248 1.00 0.00 C ATOM 965 NE2 HIS A 69 -9.634 -4.353 -0.585 1.00 0.00 N ATOM 0 H HIS A 69 -9.433 -3.720 -4.528 1.00 0.00 H new ATOM 0 HA HIS A 69 -7.370 -5.718 -4.283 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.406 -5.935 -4.255 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.287 -7.187 -3.753 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -10.368 -3.589 -2.506 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -8.716 -5.754 0.747 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -9.869 -3.593 0.053 1.00 0.00 H new ATOM 973 N MET A 70 -7.266 -6.521 -6.627 1.00 0.00 N ATOM 974 CA MET A 70 -7.198 -7.140 -7.946 1.00 0.00 C ATOM 975 C MET A 70 -8.127 -8.348 -8.028 1.00 0.00 C ATOM 976 O MET A 70 -9.164 -8.301 -8.689 1.00 0.00 O ATOM 977 CB MET A 70 -5.762 -7.564 -8.261 1.00 0.00 C ATOM 978 CG MET A 70 -4.963 -6.502 -8.998 1.00 0.00 C ATOM 979 SD MET A 70 -3.622 -7.199 -9.981 1.00 0.00 S ATOM 980 CE MET A 70 -2.214 -6.844 -8.933 1.00 0.00 C ATOM 0 H MET A 70 -6.363 -6.412 -6.165 1.00 0.00 H new ATOM 0 HA MET A 70 -7.521 -6.404 -8.682 1.00 0.00 H new ATOM 0 HB2 MET A 70 -5.252 -7.810 -7.330 1.00 0.00 H new ATOM 0 HB3 MET A 70 -5.784 -8.473 -8.862 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.630 -5.938 -9.649 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.551 -5.797 -8.276 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.440 -6.348 -9.519 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.524 -6.192 -8.116 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.820 -7.775 -8.525 1.00 0.00 H new