USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 684 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 46 GLN : amide:sc= -3.67 K(o=-3.8,f=-7.5!) USER MOD Set 1.2: A 76 TYR OH : rot 180:sc= -0.101 USER MOD Single : A 9 SER OG : rot -21:sc= 0.0777 USER MOD Single : A 19 THR OG1 : rot -76:sc= 0.608 USER MOD Single : A 26 HIS :FLIP no HD1:sc= -2.54 F(o=-3.8!,f=-2.5) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 110:sc= -1.06 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0185 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -46:sc= -1.14! USER MOD Single : A 92 SER OG : rot -170:sc= -2.19! USER MOD Single : A 93 ASN : amide:sc= -0.51 K(o=-0.51,f=-2.3!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.0384 USER MOD Single : A 96 ASN : amide:sc= -5.15! C(o=-5.2!,f=-6.9!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 5.333 16.608 -5.051 1.00 0.00 N ATOM 67 CA LEU A 8 4.599 15.824 -4.072 1.00 0.00 C ATOM 68 C LEU A 8 5.496 14.702 -3.547 1.00 0.00 C ATOM 69 O LEU A 8 5.852 13.788 -4.290 1.00 0.00 O ATOM 70 CB LEU A 8 3.278 15.329 -4.665 1.00 0.00 C ATOM 71 CG LEU A 8 2.528 14.276 -3.846 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.883 14.901 -2.608 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.508 13.533 -4.711 1.00 0.00 C ATOM 0 HA LEU A 8 4.327 16.441 -3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.621 16.187 -4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.478 14.917 -5.654 1.00 0.00 H new ATOM 0 HG LEU A 8 3.250 13.539 -3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.357 14.131 -2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.655 15.346 -1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.177 15.672 -2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.989 12.791 -4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.785 14.243 -5.112 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.022 13.035 -5.533 1.00 0.00 H new ATOM 85 N SER A 9 5.836 14.807 -2.271 1.00 0.00 N ATOM 86 CA SER A 9 6.685 13.812 -1.638 1.00 0.00 C ATOM 87 C SER A 9 5.927 12.491 -1.497 1.00 0.00 C ATOM 88 O SER A 9 4.729 12.485 -1.221 1.00 0.00 O ATOM 89 CB SER A 9 7.171 14.294 -0.269 1.00 0.00 C ATOM 90 OG SER A 9 6.094 14.716 0.562 1.00 0.00 O ATOM 0 H SER A 9 5.539 15.566 -1.658 1.00 0.00 H new ATOM 0 HA SER A 9 7.559 13.656 -2.270 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.717 13.490 0.225 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.870 15.119 -0.403 1.00 0.00 H new ATOM 0 HG SER A 9 5.316 14.930 0.006 1.00 0.00 H new ATOM 96 N PRO A 10 6.677 11.374 -1.700 1.00 0.00 N ATOM 97 CA PRO A 10 6.089 10.049 -1.598 1.00 0.00 C ATOM 98 C PRO A 10 5.849 9.666 -0.137 1.00 0.00 C ATOM 99 O PRO A 10 6.328 10.342 0.773 1.00 0.00 O ATOM 100 CB PRO A 10 7.072 9.127 -2.301 1.00 0.00 C ATOM 101 CG PRO A 10 8.387 9.888 -2.360 1.00 0.00 C ATOM 102 CD PRO A 10 8.099 11.343 -2.029 1.00 0.00 C ATOM 0 HA PRO A 10 5.105 9.989 -2.063 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.187 8.190 -1.756 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.722 8.873 -3.302 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.102 9.470 -1.652 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.833 9.803 -3.351 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.707 11.686 -1.192 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.324 11.993 -2.874 1.00 0.00 H new ATOM 110 N PRO A 11 5.089 8.554 0.049 1.00 0.00 N ATOM 111 CA PRO A 11 4.780 8.073 1.385 1.00 0.00 C ATOM 112 C PRO A 11 5.995 7.389 2.015 1.00 0.00 C ATOM 113 O PRO A 11 7.042 7.269 1.382 1.00 0.00 O ATOM 114 CB PRO A 11 3.599 7.134 1.201 1.00 0.00 C ATOM 115 CG PRO A 11 3.586 6.763 -0.273 1.00 0.00 C ATOM 116 CD PRO A 11 4.505 7.728 -1.004 1.00 0.00 C ATOM 0 HA PRO A 11 4.528 8.878 2.075 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.704 6.247 1.826 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.666 7.618 1.490 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.923 5.736 -0.411 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.574 6.823 -0.673 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.275 7.195 -1.562 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.952 8.334 -1.722 1.00 0.00 H new ATOM 124 N ARG A 12 5.814 6.959 3.256 1.00 0.00 N ATOM 125 CA ARG A 12 6.882 6.291 3.979 1.00 0.00 C ATOM 126 C ARG A 12 6.304 5.436 5.108 1.00 0.00 C ATOM 127 O ARG A 12 5.088 5.367 5.280 1.00 0.00 O ATOM 128 CB ARG A 12 7.866 7.304 4.568 1.00 0.00 C ATOM 129 CG ARG A 12 7.656 8.691 3.959 1.00 0.00 C ATOM 130 CD ARG A 12 8.536 9.734 4.651 1.00 0.00 C ATOM 131 NE ARG A 12 8.549 10.987 3.865 1.00 0.00 N ATOM 132 CZ ARG A 12 9.467 11.953 4.006 1.00 0.00 C ATOM 133 NH1 ARG A 12 10.452 11.816 4.904 1.00 0.00 N ATOM 134 NH2 ARG A 12 9.400 13.057 3.249 1.00 0.00 N ATOM 0 H ARG A 12 4.944 7.061 3.778 1.00 0.00 H new ATOM 0 HA ARG A 12 7.414 5.654 3.272 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.738 7.355 5.649 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.888 6.973 4.384 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.888 8.663 2.894 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.608 8.977 4.050 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.161 9.929 5.656 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.551 9.352 4.758 1.00 0.00 H new ATOM 0 HE ARG A 12 7.813 11.124 3.172 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.503 10.976 5.481 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.151 12.552 5.011 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.650 13.162 2.566 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.099 13.792 3.356 1.00 0.00 H new ATOM 148 N GLY A 13 7.204 4.805 5.850 1.00 0.00 N ATOM 149 CA GLY A 13 6.798 3.957 6.958 1.00 0.00 C ATOM 150 C GLY A 13 5.791 2.900 6.499 1.00 0.00 C ATOM 151 O GLY A 13 5.081 2.317 7.318 1.00 0.00 O ATOM 0 H GLY A 13 8.212 4.864 5.705 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.673 3.469 7.387 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.356 4.568 7.745 1.00 0.00 H new ATOM 155 N LEU A 14 5.762 2.684 5.192 1.00 0.00 N ATOM 156 CA LEU A 14 4.854 1.707 4.615 1.00 0.00 C ATOM 157 C LEU A 14 5.221 0.313 5.126 1.00 0.00 C ATOM 158 O LEU A 14 6.196 -0.282 4.670 1.00 0.00 O ATOM 159 CB LEU A 14 4.844 1.821 3.090 1.00 0.00 C ATOM 160 CG LEU A 14 3.904 0.865 2.352 1.00 0.00 C ATOM 161 CD1 LEU A 14 2.441 1.255 2.574 1.00 0.00 C ATOM 162 CD2 LEU A 14 4.257 0.788 0.865 1.00 0.00 C ATOM 0 H LEU A 14 6.353 3.169 4.516 1.00 0.00 H new ATOM 0 HA LEU A 14 3.830 1.903 4.932 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.573 2.843 2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.858 1.655 2.726 1.00 0.00 H new ATOM 0 HG LEU A 14 4.038 -0.134 2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.794 0.560 2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.212 1.217 3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.274 2.266 2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.574 0.102 0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.169 1.778 0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.280 0.429 0.752 1.00 0.00 H new ATOM 174 N VAL A 15 4.419 -0.169 6.064 1.00 0.00 N ATOM 175 CA VAL A 15 4.647 -1.483 6.641 1.00 0.00 C ATOM 176 C VAL A 15 3.373 -2.319 6.514 1.00 0.00 C ATOM 177 O VAL A 15 2.302 -1.787 6.225 1.00 0.00 O ATOM 178 CB VAL A 15 5.128 -1.343 8.087 1.00 0.00 C ATOM 179 CG1 VAL A 15 3.996 -0.864 8.998 1.00 0.00 C ATOM 180 CG2 VAL A 15 5.723 -2.657 8.597 1.00 0.00 C ATOM 0 H VAL A 15 3.610 0.327 6.439 1.00 0.00 H new ATOM 0 HA VAL A 15 5.435 -2.006 6.099 1.00 0.00 H new ATOM 0 HB VAL A 15 5.915 -0.589 8.106 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.365 -0.773 10.020 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.638 0.106 8.654 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.178 -1.583 8.970 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.057 -2.530 9.627 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.966 -3.440 8.555 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.571 -2.939 7.973 1.00 0.00 H new ATOM 190 N ALA A 16 3.530 -3.616 6.736 1.00 0.00 N ATOM 191 CA ALA A 16 2.405 -4.532 6.649 1.00 0.00 C ATOM 192 C ALA A 16 2.223 -5.239 7.994 1.00 0.00 C ATOM 193 O ALA A 16 3.104 -5.185 8.851 1.00 0.00 O ATOM 194 CB ALA A 16 2.634 -5.515 5.500 1.00 0.00 C ATOM 0 H ALA A 16 4.419 -4.054 6.976 1.00 0.00 H new ATOM 0 HA ALA A 16 1.484 -3.989 6.435 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.790 -6.202 5.435 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.727 -4.965 4.564 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.548 -6.080 5.681 1.00 0.00 H new ATOM 200 N VAL A 17 1.076 -5.886 8.136 1.00 0.00 N ATOM 201 CA VAL A 17 0.768 -6.603 9.362 1.00 0.00 C ATOM 202 C VAL A 17 -0.237 -7.716 9.058 1.00 0.00 C ATOM 203 O VAL A 17 -1.445 -7.487 9.074 1.00 0.00 O ATOM 204 CB VAL A 17 0.273 -5.625 10.430 1.00 0.00 C ATOM 205 CG1 VAL A 17 0.871 -5.958 11.798 1.00 0.00 C ATOM 206 CG2 VAL A 17 0.579 -4.180 10.034 1.00 0.00 C ATOM 0 H VAL A 17 0.348 -5.929 7.422 1.00 0.00 H new ATOM 0 HA VAL A 17 1.664 -7.075 9.764 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.809 -5.729 10.504 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.503 -5.248 12.539 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.579 -6.968 12.087 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.958 -5.896 11.745 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.217 -3.506 10.810 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.656 -4.055 9.918 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.083 -3.948 9.091 1.00 0.00 H new ATOM 216 N ARG A 18 0.300 -8.897 8.788 1.00 0.00 N ATOM 217 CA ARG A 18 -0.535 -10.046 8.481 1.00 0.00 C ATOM 218 C ARG A 18 -1.349 -10.454 9.710 1.00 0.00 C ATOM 219 O ARG A 18 -0.848 -11.159 10.585 1.00 0.00 O ATOM 220 CB ARG A 18 0.312 -11.234 8.021 1.00 0.00 C ATOM 221 CG ARG A 18 -0.465 -12.113 7.038 1.00 0.00 C ATOM 222 CD ARG A 18 -0.139 -13.592 7.249 1.00 0.00 C ATOM 223 NE ARG A 18 -1.237 -14.433 6.721 1.00 0.00 N ATOM 224 CZ ARG A 18 -1.514 -14.574 5.417 1.00 0.00 C ATOM 225 NH1 ARG A 18 -0.776 -13.931 4.502 1.00 0.00 N ATOM 226 NH2 ARG A 18 -2.529 -15.357 5.029 1.00 0.00 N ATOM 0 H ARG A 18 1.303 -9.083 8.775 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.209 -9.760 7.673 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.225 -10.873 7.548 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.613 -11.827 8.885 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.535 -11.951 7.167 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.220 -11.825 6.016 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.795 -13.842 6.747 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.006 -13.793 8.310 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.819 -14.936 7.391 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.003 -13.334 4.798 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.987 -14.038 3.510 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.091 -15.846 5.726 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.740 -15.464 4.037 1.00 0.00 H new ATOM 240 N THR A 19 -2.591 -9.993 9.737 1.00 0.00 N ATOM 241 CA THR A 19 -3.480 -10.302 10.845 1.00 0.00 C ATOM 242 C THR A 19 -4.444 -11.425 10.458 1.00 0.00 C ATOM 243 O THR A 19 -4.321 -12.011 9.384 1.00 0.00 O ATOM 244 CB THR A 19 -4.187 -9.009 11.257 1.00 0.00 C ATOM 245 OG1 THR A 19 -5.385 -9.007 10.485 1.00 0.00 O ATOM 246 CG2 THR A 19 -3.440 -7.758 10.790 1.00 0.00 C ATOM 0 H THR A 19 -3.003 -9.408 9.010 1.00 0.00 H new ATOM 0 HA THR A 19 -2.925 -10.675 11.706 1.00 0.00 H new ATOM 0 HB THR A 19 -4.294 -8.984 12.341 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.177 -8.764 9.559 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.984 -6.869 11.109 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.441 -7.747 11.225 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.362 -7.765 9.703 1.00 0.00 H new ATOM 254 N PRO A 20 -5.407 -11.698 11.379 1.00 0.00 N ATOM 255 CA PRO A 20 -6.391 -12.741 11.145 1.00 0.00 C ATOM 256 C PRO A 20 -7.442 -12.285 10.130 1.00 0.00 C ATOM 257 O PRO A 20 -7.879 -13.069 9.289 1.00 0.00 O ATOM 258 CB PRO A 20 -6.979 -13.041 12.514 1.00 0.00 C ATOM 259 CG PRO A 20 -6.641 -11.842 13.385 1.00 0.00 C ATOM 260 CD PRO A 20 -5.583 -11.024 12.662 1.00 0.00 C ATOM 0 HA PRO A 20 -5.956 -13.639 10.707 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.057 -13.187 12.452 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.556 -13.956 12.928 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.531 -11.239 13.567 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -6.273 -12.168 14.358 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -5.905 -9.992 12.526 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.651 -10.996 13.226 1.00 0.00 H new ATOM 268 N ARG A 21 -7.817 -11.019 10.242 1.00 0.00 N ATOM 269 CA ARG A 21 -8.808 -10.450 9.345 1.00 0.00 C ATOM 270 C ARG A 21 -8.157 -10.055 8.018 1.00 0.00 C ATOM 271 O ARG A 21 -8.849 -9.690 7.068 1.00 0.00 O ATOM 272 CB ARG A 21 -9.471 -9.219 9.966 1.00 0.00 C ATOM 273 CG ARG A 21 -10.363 -9.614 11.145 1.00 0.00 C ATOM 274 CD ARG A 21 -11.820 -9.226 10.884 1.00 0.00 C ATOM 275 NE ARG A 21 -12.485 -8.870 12.157 1.00 0.00 N ATOM 276 CZ ARG A 21 -12.472 -7.642 12.693 1.00 0.00 C ATOM 277 NH1 ARG A 21 -11.827 -6.646 12.071 1.00 0.00 N ATOM 278 NH2 ARG A 21 -13.103 -7.410 13.852 1.00 0.00 N ATOM 0 H ARG A 21 -7.452 -10.371 10.940 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.570 -11.209 9.169 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.705 -8.520 10.303 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.065 -8.702 9.212 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.294 -10.689 11.314 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.010 -9.125 12.053 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.862 -8.383 10.194 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.346 -10.054 10.409 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.984 -9.605 12.658 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.346 -6.822 11.189 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.817 -5.711 12.479 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.593 -8.168 14.326 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.093 -6.475 14.260 1.00 0.00 H new ATOM 292 N GLY A 22 -6.835 -10.140 7.995 1.00 0.00 N ATOM 293 CA GLY A 22 -6.084 -9.795 6.800 1.00 0.00 C ATOM 294 C GLY A 22 -4.751 -9.136 7.161 1.00 0.00 C ATOM 295 O GLY A 22 -4.378 -9.083 8.332 1.00 0.00 O ATOM 0 H GLY A 22 -6.265 -10.443 8.785 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.902 -10.693 6.209 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.672 -9.119 6.179 1.00 0.00 H new ATOM 299 N VAL A 23 -4.070 -8.651 6.134 1.00 0.00 N ATOM 300 CA VAL A 23 -2.787 -7.997 6.328 1.00 0.00 C ATOM 301 C VAL A 23 -2.977 -6.481 6.268 1.00 0.00 C ATOM 302 O VAL A 23 -3.326 -5.936 5.221 1.00 0.00 O ATOM 303 CB VAL A 23 -1.776 -8.514 5.303 1.00 0.00 C ATOM 304 CG1 VAL A 23 -2.308 -9.757 4.586 1.00 0.00 C ATOM 305 CG2 VAL A 23 -1.403 -7.420 4.301 1.00 0.00 C ATOM 0 H VAL A 23 -4.382 -8.698 5.164 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.383 -8.234 7.312 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.871 -8.799 5.840 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.570 -10.104 3.863 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.499 -10.544 5.316 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.235 -9.510 4.068 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.683 -7.814 3.584 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.298 -7.090 3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.962 -6.576 4.831 1.00 0.00 H new ATOM 315 N LEU A 24 -2.740 -5.841 7.403 1.00 0.00 N ATOM 316 CA LEU A 24 -2.881 -4.397 7.493 1.00 0.00 C ATOM 317 C LEU A 24 -1.614 -3.731 6.952 1.00 0.00 C ATOM 318 O LEU A 24 -0.528 -4.305 7.020 1.00 0.00 O ATOM 319 CB LEU A 24 -3.232 -3.981 8.922 1.00 0.00 C ATOM 320 CG LEU A 24 -4.525 -3.180 9.089 1.00 0.00 C ATOM 321 CD1 LEU A 24 -4.980 -3.171 10.550 1.00 0.00 C ATOM 322 CD2 LEU A 24 -4.371 -1.765 8.527 1.00 0.00 C ATOM 0 H LEU A 24 -2.451 -6.296 8.269 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.711 -4.056 6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.303 -4.880 9.534 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.408 -3.389 9.320 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.308 -3.672 8.511 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.901 -2.595 10.641 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.158 -4.194 10.882 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.206 -2.718 11.169 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.304 -1.218 8.659 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.570 -1.249 9.056 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.129 -1.819 7.466 1.00 0.00 H new ATOM 334 N LEU A 25 -1.795 -2.528 6.426 1.00 0.00 N ATOM 335 CA LEU A 25 -0.680 -1.778 5.873 1.00 0.00 C ATOM 336 C LEU A 25 -0.621 -0.399 6.535 1.00 0.00 C ATOM 337 O LEU A 25 -1.586 0.362 6.478 1.00 0.00 O ATOM 338 CB LEU A 25 -0.774 -1.724 4.347 1.00 0.00 C ATOM 339 CG LEU A 25 -0.778 -3.074 3.628 1.00 0.00 C ATOM 340 CD1 LEU A 25 -1.365 -2.944 2.220 1.00 0.00 C ATOM 341 CD2 LEU A 25 0.622 -3.691 3.610 1.00 0.00 C ATOM 0 H LEU A 25 -2.697 -2.054 6.371 1.00 0.00 H new ATOM 0 HA LEU A 25 0.263 -2.279 6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.684 -1.188 4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.064 -1.137 3.972 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.422 -3.755 4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.356 -3.918 1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.390 -2.580 2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.767 -2.241 1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.590 -4.650 3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.308 -3.021 3.091 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.966 -3.842 4.633 1.00 0.00 H new ATOM 353 N HIS A 26 0.520 -0.120 7.146 1.00 0.00 N ATOM 354 CA HIS A 26 0.717 1.154 7.817 1.00 0.00 C ATOM 355 C HIS A 26 1.752 1.982 7.053 1.00 0.00 C ATOM 356 O HIS A 26 2.898 1.563 6.900 1.00 0.00 O ATOM 357 CB HIS A 26 1.095 0.942 9.285 1.00 0.00 C ATOM 358 CG HIS A 26 0.200 -0.031 10.015 1.00 0.00 C ATOM 359 ND1 HIS A 26 -0.994 -0.585 9.656 1.00 0.00 N flip ATOM 360 CD2 HIS A 26 0.504 -0.535 11.267 1.00 0.00 C flip ATOM 361 CE1 HIS A 26 -1.396 -1.386 10.635 1.00 0.00 C flip ATOM 362 NE2 HIS A 26 -0.469 -1.356 11.635 1.00 0.00 N flip ATOM 0 H HIS A 26 1.318 -0.754 7.191 1.00 0.00 H new ATOM 0 HA HIS A 26 -0.217 1.716 7.819 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.123 0.583 9.337 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.066 1.903 9.799 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.385 -0.299 11.846 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.307 -1.966 10.639 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.516 -1.874 12.512 1.00 0.00 H new ATOM 370 N TRP A 27 1.310 3.143 6.592 1.00 0.00 N ATOM 371 CA TRP A 27 2.183 4.034 5.847 1.00 0.00 C ATOM 372 C TRP A 27 2.185 5.392 6.551 1.00 0.00 C ATOM 373 O TRP A 27 1.429 5.605 7.498 1.00 0.00 O ATOM 374 CB TRP A 27 1.755 4.122 4.381 1.00 0.00 C ATOM 375 CG TRP A 27 0.363 4.722 4.173 1.00 0.00 C ATOM 376 CD1 TRP A 27 0.020 6.017 4.142 1.00 0.00 C ATOM 377 CD2 TRP A 27 -0.865 3.994 3.968 1.00 0.00 C ATOM 378 NE1 TRP A 27 -1.335 6.176 3.932 1.00 0.00 N ATOM 379 CE2 TRP A 27 -1.890 4.907 3.823 1.00 0.00 C ATOM 380 CE3 TRP A 27 -1.103 2.609 3.907 1.00 0.00 C ATOM 381 CZ2 TRP A 27 -3.223 4.535 3.608 1.00 0.00 C ATOM 382 CZ3 TRP A 27 -2.440 2.255 3.691 1.00 0.00 C ATOM 383 CH2 TRP A 27 -3.484 3.161 3.544 1.00 0.00 C ATOM 0 H TRP A 27 0.358 3.487 6.720 1.00 0.00 H new ATOM 0 HA TRP A 27 3.203 3.649 5.830 1.00 0.00 H new ATOM 0 HB2 TRP A 27 2.483 4.723 3.836 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.777 3.123 3.946 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.716 6.833 4.266 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -1.836 7.062 3.869 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -0.317 1.877 4.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -4.008 5.269 3.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -2.677 1.203 3.635 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.491 2.807 3.381 1.00 0.00 H new ATOM 394 N ASP A 28 3.042 6.276 6.062 1.00 0.00 N ATOM 395 CA ASP A 28 3.152 7.608 6.632 1.00 0.00 C ATOM 396 C ASP A 28 2.750 8.643 5.580 1.00 0.00 C ATOM 397 O ASP A 28 2.977 8.443 4.388 1.00 0.00 O ATOM 398 CB ASP A 28 4.589 7.905 7.064 1.00 0.00 C ATOM 399 CG ASP A 28 4.804 8.000 8.576 1.00 0.00 C ATOM 400 OD1 ASP A 28 4.593 9.109 9.111 1.00 0.00 O ATOM 401 OD2 ASP A 28 5.175 6.960 9.162 1.00 0.00 O ATOM 0 H ASP A 28 3.667 6.096 5.277 1.00 0.00 H new ATOM 0 HA ASP A 28 2.497 7.658 7.502 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.240 7.125 6.668 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.903 8.844 6.608 1.00 0.00 H new ATOM 406 N PRO A 29 2.144 9.757 6.072 1.00 0.00 N ATOM 407 CA PRO A 29 1.708 10.825 5.188 1.00 0.00 C ATOM 408 C PRO A 29 2.900 11.649 4.695 1.00 0.00 C ATOM 409 O PRO A 29 3.830 11.917 5.454 1.00 0.00 O ATOM 410 CB PRO A 29 0.722 11.639 6.010 1.00 0.00 C ATOM 411 CG PRO A 29 0.992 11.277 7.462 1.00 0.00 C ATOM 412 CD PRO A 29 1.858 10.028 7.478 1.00 0.00 C ATOM 0 HA PRO A 29 1.235 10.452 4.279 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.861 12.707 5.841 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.306 11.403 5.733 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.496 12.098 7.973 1.00 0.00 H new ATOM 0 HG3 PRO A 29 0.056 11.099 7.991 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.775 10.189 8.045 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.338 9.191 7.945 1.00 0.00 H new ATOM 420 N PRO A 30 2.830 12.037 3.394 1.00 0.00 N ATOM 421 CA PRO A 30 3.892 12.825 2.791 1.00 0.00 C ATOM 422 C PRO A 30 3.832 14.279 3.264 1.00 0.00 C ATOM 423 O PRO A 30 2.938 15.027 2.871 1.00 0.00 O ATOM 424 CB PRO A 30 3.687 12.680 1.292 1.00 0.00 C ATOM 425 CG PRO A 30 2.254 12.203 1.111 1.00 0.00 C ATOM 426 CD PRO A 30 1.744 11.738 2.465 1.00 0.00 C ATOM 0 HA PRO A 30 4.886 12.482 3.079 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.850 13.629 0.782 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.393 11.965 0.869 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.630 13.008 0.724 1.00 0.00 H new ATOM 0 HG3 PRO A 30 2.211 11.390 0.387 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.829 12.261 2.744 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.513 10.673 2.456 1.00 0.00 H new ATOM 434 N GLU A 31 4.795 14.636 4.100 1.00 0.00 N ATOM 435 CA GLU A 31 4.863 15.987 4.631 1.00 0.00 C ATOM 436 C GLU A 31 4.817 17.007 3.492 1.00 0.00 C ATOM 437 O GLU A 31 4.034 17.955 3.535 1.00 0.00 O ATOM 438 CB GLU A 31 6.117 16.177 5.487 1.00 0.00 C ATOM 439 CG GLU A 31 6.234 17.622 5.975 1.00 0.00 C ATOM 440 CD GLU A 31 6.030 17.708 7.489 1.00 0.00 C ATOM 441 OE1 GLU A 31 4.867 17.535 7.915 1.00 0.00 O ATOM 442 OE2 GLU A 31 7.040 17.943 8.186 1.00 0.00 O ATOM 0 H GLU A 31 5.535 14.013 4.423 1.00 0.00 H new ATOM 0 HA GLU A 31 3.997 16.149 5.273 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.083 15.502 6.342 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.001 15.913 4.907 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.215 18.020 5.714 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.494 18.242 5.469 1.00 0.00 H new ATOM 449 N LEU A 32 5.666 16.779 2.501 1.00 0.00 N ATOM 450 CA LEU A 32 5.731 17.667 1.353 1.00 0.00 C ATOM 451 C LEU A 32 4.540 17.393 0.432 1.00 0.00 C ATOM 452 O LEU A 32 4.422 16.304 -0.127 1.00 0.00 O ATOM 453 CB LEU A 32 7.088 17.543 0.656 1.00 0.00 C ATOM 454 CG LEU A 32 8.124 18.612 1.011 1.00 0.00 C ATOM 455 CD1 LEU A 32 9.298 18.584 0.030 1.00 0.00 C ATOM 456 CD2 LEU A 32 7.478 19.996 1.094 1.00 0.00 C ATOM 0 H LEU A 32 6.315 15.992 2.469 1.00 0.00 H new ATOM 0 HA LEU A 32 5.655 18.707 1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.508 16.565 0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.924 17.567 -0.421 1.00 0.00 H new ATOM 0 HG LEU A 32 8.525 18.385 1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.020 19.353 0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.778 17.606 0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.933 18.773 -0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.236 20.737 1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.032 20.248 0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.704 19.991 1.862 1.00 0.00 H new ATOM 468 N VAL A 33 3.688 18.399 0.305 1.00 0.00 N ATOM 469 CA VAL A 33 2.510 18.280 -0.538 1.00 0.00 C ATOM 470 C VAL A 33 2.310 19.583 -1.315 1.00 0.00 C ATOM 471 O VAL A 33 2.547 20.668 -0.786 1.00 0.00 O ATOM 472 CB VAL A 33 1.296 17.897 0.311 1.00 0.00 C ATOM 473 CG1 VAL A 33 0.233 17.197 -0.538 1.00 0.00 C ATOM 474 CG2 VAL A 33 1.710 17.027 1.499 1.00 0.00 C ATOM 0 H VAL A 33 3.789 19.300 0.772 1.00 0.00 H new ATOM 0 HA VAL A 33 2.643 17.483 -1.270 1.00 0.00 H new ATOM 0 HB VAL A 33 0.859 18.815 0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.619 16.935 0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.094 17.865 -1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.654 16.291 -0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.828 16.769 2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.183 16.115 1.135 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.414 17.576 2.124 1.00 0.00 H new ATOM 484 N PRO A 34 1.864 19.429 -2.590 1.00 0.00 N ATOM 485 CA PRO A 34 1.629 20.580 -3.445 1.00 0.00 C ATOM 486 C PRO A 34 0.343 21.306 -3.046 1.00 0.00 C ATOM 487 O PRO A 34 0.092 22.424 -3.493 1.00 0.00 O ATOM 488 CB PRO A 34 1.581 20.019 -4.857 1.00 0.00 C ATOM 489 CG PRO A 34 1.326 18.528 -4.704 1.00 0.00 C ATOM 490 CD PRO A 34 1.572 18.160 -3.250 1.00 0.00 C ATOM 0 HA PRO A 34 2.410 21.335 -3.357 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.791 20.493 -5.439 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.518 20.203 -5.383 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.303 18.284 -4.992 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.986 17.959 -5.359 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.699 17.677 -2.811 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.404 17.463 -3.153 1.00 0.00 H new ATOM 498 N LYS A 35 -0.439 20.641 -2.208 1.00 0.00 N ATOM 499 CA LYS A 35 -1.693 21.208 -1.744 1.00 0.00 C ATOM 500 C LYS A 35 -2.340 20.252 -0.740 1.00 0.00 C ATOM 501 O LYS A 35 -2.136 20.381 0.466 1.00 0.00 O ATOM 502 CB LYS A 35 -2.595 21.558 -2.930 1.00 0.00 C ATOM 503 CG LYS A 35 -2.767 23.072 -3.060 1.00 0.00 C ATOM 504 CD LYS A 35 -3.793 23.416 -4.142 1.00 0.00 C ATOM 505 CE LYS A 35 -3.149 24.221 -5.272 1.00 0.00 C ATOM 506 NZ LYS A 35 -4.171 25.014 -5.992 1.00 0.00 N ATOM 0 H LYS A 35 -0.228 19.714 -1.838 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.515 22.148 -1.221 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.166 21.157 -3.848 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.570 21.087 -2.801 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.087 23.489 -2.105 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.809 23.531 -3.303 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.224 22.499 -4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.611 23.988 -3.704 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.386 24.884 -4.865 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.648 23.547 -5.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.717 25.554 -6.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.884 24.375 -6.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.631 25.671 -5.330 1.00 0.00 H new ATOM 520 N ARG A 36 -3.107 19.314 -1.275 1.00 0.00 N ATOM 521 CA ARG A 36 -3.786 18.336 -0.442 1.00 0.00 C ATOM 522 C ARG A 36 -3.602 16.930 -1.016 1.00 0.00 C ATOM 523 O ARG A 36 -3.054 16.767 -2.105 1.00 0.00 O ATOM 524 CB ARG A 36 -5.280 18.645 -0.335 1.00 0.00 C ATOM 525 CG ARG A 36 -5.971 18.485 -1.691 1.00 0.00 C ATOM 526 CD ARG A 36 -7.275 19.283 -1.740 1.00 0.00 C ATOM 527 NE ARG A 36 -7.526 19.761 -3.118 1.00 0.00 N ATOM 528 CZ ARG A 36 -8.696 20.260 -3.539 1.00 0.00 C ATOM 529 NH1 ARG A 36 -9.730 20.350 -2.691 1.00 0.00 N ATOM 530 NH2 ARG A 36 -8.832 20.669 -4.808 1.00 0.00 N ATOM 0 H ARG A 36 -3.274 19.210 -2.276 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.345 18.386 0.553 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.742 17.978 0.393 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.419 19.662 0.031 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.304 18.822 -2.485 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.179 17.431 -1.875 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.105 18.660 -1.406 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.218 20.131 -1.057 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.760 19.707 -3.789 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.626 20.039 -1.725 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.621 20.730 -3.011 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.045 20.600 -5.453 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.723 21.049 -5.129 1.00 0.00 H new ATOM 544 N LEU A 37 -4.071 15.949 -0.258 1.00 0.00 N ATOM 545 CA LEU A 37 -3.965 14.563 -0.678 1.00 0.00 C ATOM 546 C LEU A 37 -5.246 14.157 -1.411 1.00 0.00 C ATOM 547 O LEU A 37 -6.322 14.126 -0.817 1.00 0.00 O ATOM 548 CB LEU A 37 -3.630 13.665 0.515 1.00 0.00 C ATOM 549 CG LEU A 37 -2.560 12.599 0.273 1.00 0.00 C ATOM 550 CD1 LEU A 37 -2.683 12.009 -1.134 1.00 0.00 C ATOM 551 CD2 LEU A 37 -1.161 13.155 0.541 1.00 0.00 C ATOM 0 H LEU A 37 -4.525 16.088 0.645 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.141 14.441 -1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.304 14.298 1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.544 13.167 0.837 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.723 11.785 0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.911 11.254 -1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.665 11.551 -1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.561 12.801 -1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.420 12.377 0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.971 13.998 -0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.094 13.488 1.577 1.00 0.00 H new ATOM 563 N ASP A 38 -5.086 13.857 -2.692 1.00 0.00 N ATOM 564 CA ASP A 38 -6.216 13.455 -3.513 1.00 0.00 C ATOM 565 C ASP A 38 -6.531 11.981 -3.252 1.00 0.00 C ATOM 566 O ASP A 38 -7.691 11.575 -3.289 1.00 0.00 O ATOM 567 CB ASP A 38 -5.900 13.615 -5.001 1.00 0.00 C ATOM 568 CG ASP A 38 -7.122 13.675 -5.919 1.00 0.00 C ATOM 569 OD1 ASP A 38 -7.855 12.663 -5.955 1.00 0.00 O ATOM 570 OD2 ASP A 38 -7.296 14.731 -6.564 1.00 0.00 O ATOM 0 H ASP A 38 -4.191 13.884 -3.181 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.064 14.089 -3.254 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.317 14.526 -5.137 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.269 12.783 -5.315 1.00 0.00 H new ATOM 575 N GLY A 39 -5.477 11.220 -2.995 1.00 0.00 N ATOM 576 CA GLY A 39 -5.627 9.799 -2.729 1.00 0.00 C ATOM 577 C GLY A 39 -4.380 9.026 -3.161 1.00 0.00 C ATOM 578 O GLY A 39 -3.701 9.416 -4.110 1.00 0.00 O ATOM 0 H GLY A 39 -4.516 11.560 -2.965 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.807 9.641 -1.666 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.499 9.416 -3.260 1.00 0.00 H new ATOM 582 N TYR A 40 -4.116 7.943 -2.445 1.00 0.00 N ATOM 583 CA TYR A 40 -2.962 7.111 -2.742 1.00 0.00 C ATOM 584 C TYR A 40 -3.363 5.901 -3.588 1.00 0.00 C ATOM 585 O TYR A 40 -4.544 5.697 -3.867 1.00 0.00 O ATOM 586 CB TYR A 40 -2.435 6.623 -1.392 1.00 0.00 C ATOM 587 CG TYR A 40 -2.084 7.748 -0.417 1.00 0.00 C ATOM 588 CD1 TYR A 40 -3.084 8.387 0.288 1.00 0.00 C ATOM 589 CD2 TYR A 40 -0.768 8.125 -0.242 1.00 0.00 C ATOM 590 CE1 TYR A 40 -2.754 9.446 1.206 1.00 0.00 C ATOM 591 CE2 TYR A 40 -0.438 9.184 0.676 1.00 0.00 C ATOM 592 CZ TYR A 40 -1.447 9.793 1.354 1.00 0.00 C ATOM 593 OH TYR A 40 -1.135 10.793 2.221 1.00 0.00 O ATOM 0 H TYR A 40 -4.682 7.622 -1.659 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.216 7.675 -3.302 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.185 5.979 -0.932 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.548 6.011 -1.559 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.114 8.093 0.151 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.015 7.626 -0.794 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.527 9.953 1.764 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.588 9.488 0.823 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.673 10.418 3.000 1.00 0.00 H new ATOM 603 N VAL A 41 -2.357 5.129 -3.973 1.00 0.00 N ATOM 604 CA VAL A 41 -2.590 3.944 -4.781 1.00 0.00 C ATOM 605 C VAL A 41 -1.904 2.743 -4.127 1.00 0.00 C ATOM 606 O VAL A 41 -0.683 2.608 -4.195 1.00 0.00 O ATOM 607 CB VAL A 41 -2.123 4.190 -6.217 1.00 0.00 C ATOM 608 CG1 VAL A 41 -2.273 2.927 -7.067 1.00 0.00 C ATOM 609 CG2 VAL A 41 -2.876 5.365 -6.844 1.00 0.00 C ATOM 0 H VAL A 41 -1.379 5.301 -3.740 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.656 3.721 -4.833 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.064 4.448 -6.185 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.934 3.130 -8.083 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.672 2.126 -6.637 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.320 2.624 -7.088 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.525 5.519 -7.865 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.944 5.148 -6.856 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.696 6.267 -6.259 1.00 0.00 H new ATOM 619 N LEU A 42 -2.719 1.901 -3.508 1.00 0.00 N ATOM 620 CA LEU A 42 -2.206 0.716 -2.842 1.00 0.00 C ATOM 621 C LEU A 42 -2.118 -0.432 -3.849 1.00 0.00 C ATOM 622 O LEU A 42 -3.130 -0.849 -4.409 1.00 0.00 O ATOM 623 CB LEU A 42 -3.048 0.388 -1.607 1.00 0.00 C ATOM 624 CG LEU A 42 -2.545 -0.767 -0.740 1.00 0.00 C ATOM 625 CD1 LEU A 42 -3.000 -2.115 -1.304 1.00 0.00 C ATOM 626 CD2 LEU A 42 -1.026 -0.702 -0.567 1.00 0.00 C ATOM 0 H LEU A 42 -3.731 2.016 -3.454 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.196 0.894 -2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.110 1.282 -0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.062 0.156 -1.934 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.987 -0.667 0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.629 -2.919 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.089 -2.148 -1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.607 -2.239 -2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.695 -1.535 0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.546 -0.763 -1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.754 0.238 -0.088 1.00 0.00 H new ATOM 638 N GLU A 43 -0.899 -0.910 -4.049 1.00 0.00 N ATOM 639 CA GLU A 43 -0.666 -2.001 -4.979 1.00 0.00 C ATOM 640 C GLU A 43 -0.153 -3.235 -4.233 1.00 0.00 C ATOM 641 O GLU A 43 0.169 -3.158 -3.048 1.00 0.00 O ATOM 642 CB GLU A 43 0.308 -1.584 -6.082 1.00 0.00 C ATOM 643 CG GLU A 43 -0.443 -1.069 -7.312 1.00 0.00 C ATOM 644 CD GLU A 43 0.413 -0.078 -8.103 1.00 0.00 C ATOM 645 OE1 GLU A 43 1.039 0.781 -7.446 1.00 0.00 O ATOM 646 OE2 GLU A 43 0.421 -0.202 -9.346 1.00 0.00 O ATOM 0 H GLU A 43 -0.062 -0.561 -3.582 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.614 -2.255 -5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.976 -0.808 -5.708 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.931 -2.433 -6.362 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.719 -1.908 -7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.370 -0.587 -7.001 1.00 0.00 H new ATOM 653 N GLY A 44 -0.092 -4.343 -4.957 1.00 0.00 N ATOM 654 CA GLY A 44 0.376 -5.590 -4.378 1.00 0.00 C ATOM 655 C GLY A 44 0.700 -6.613 -5.469 1.00 0.00 C ATOM 656 O GLY A 44 0.359 -6.413 -6.633 1.00 0.00 O ATOM 0 H GLY A 44 -0.359 -4.403 -5.940 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.264 -5.404 -3.774 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.385 -5.994 -3.710 1.00 0.00 H new ATOM 660 N ARG A 45 1.354 -7.687 -5.052 1.00 0.00 N ATOM 661 CA ARG A 45 1.728 -8.742 -5.979 1.00 0.00 C ATOM 662 C ARG A 45 2.493 -9.846 -5.247 1.00 0.00 C ATOM 663 O ARG A 45 3.229 -9.573 -4.300 1.00 0.00 O ATOM 664 CB ARG A 45 2.596 -8.196 -7.114 1.00 0.00 C ATOM 665 CG ARG A 45 3.942 -7.698 -6.584 1.00 0.00 C ATOM 666 CD ARG A 45 4.994 -7.675 -7.695 1.00 0.00 C ATOM 667 NE ARG A 45 6.352 -7.724 -7.107 1.00 0.00 N ATOM 668 CZ ARG A 45 7.457 -7.296 -7.733 1.00 0.00 C ATOM 669 NH1 ARG A 45 7.372 -6.786 -8.969 1.00 0.00 N ATOM 670 NH2 ARG A 45 8.647 -7.379 -7.122 1.00 0.00 N ATOM 0 H ARG A 45 1.635 -7.850 -4.085 1.00 0.00 H new ATOM 0 HA ARG A 45 0.811 -9.151 -6.403 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.760 -8.975 -7.858 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.074 -7.381 -7.616 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.825 -6.697 -6.168 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.279 -8.343 -5.773 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.847 -8.523 -8.364 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.881 -6.772 -8.296 1.00 0.00 H new ATOM 0 HE ARG A 45 6.453 -8.107 -6.167 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.466 -6.723 -9.434 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.213 -6.460 -9.445 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.711 -7.768 -6.181 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.488 -7.053 -7.598 1.00 0.00 H new ATOM 684 N GLN A 46 2.293 -11.070 -5.713 1.00 0.00 N ATOM 685 CA GLN A 46 2.956 -12.216 -5.114 1.00 0.00 C ATOM 686 C GLN A 46 3.904 -12.868 -6.122 1.00 0.00 C ATOM 687 O GLN A 46 3.637 -12.865 -7.323 1.00 0.00 O ATOM 688 CB GLN A 46 1.934 -13.228 -4.590 1.00 0.00 C ATOM 689 CG GLN A 46 1.443 -14.144 -5.713 1.00 0.00 C ATOM 690 CD GLN A 46 0.161 -14.873 -5.305 1.00 0.00 C ATOM 691 OE1 GLN A 46 0.140 -15.681 -4.392 1.00 0.00 O ATOM 692 NE2 GLN A 46 -0.903 -14.543 -6.032 1.00 0.00 N ATOM 0 H GLN A 46 1.681 -11.293 -6.498 1.00 0.00 H new ATOM 0 HA GLN A 46 3.544 -11.868 -4.265 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.383 -13.827 -3.798 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.088 -12.701 -4.150 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.261 -13.557 -6.613 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.217 -14.871 -5.958 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.815 -13.858 -6.783 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.807 -14.975 -5.839 1.00 0.00 H new ATOM 736 N GLY A 50 2.436 -9.543 -11.842 1.00 0.00 N ATOM 737 CA GLY A 50 2.316 -8.135 -12.182 1.00 0.00 C ATOM 738 C GLY A 50 1.612 -7.360 -11.066 1.00 0.00 C ATOM 739 O GLY A 50 0.662 -7.857 -10.464 1.00 0.00 O ATOM 0 HA2 GLY A 50 3.306 -7.713 -12.354 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.758 -8.028 -13.112 1.00 0.00 H new ATOM 743 N TRP A 51 2.106 -6.154 -10.825 1.00 0.00 N ATOM 744 CA TRP A 51 1.536 -5.305 -9.793 1.00 0.00 C ATOM 745 C TRP A 51 0.036 -5.175 -10.062 1.00 0.00 C ATOM 746 O TRP A 51 -0.369 -4.676 -11.111 1.00 0.00 O ATOM 747 CB TRP A 51 2.253 -3.955 -9.736 1.00 0.00 C ATOM 748 CG TRP A 51 3.623 -4.005 -9.059 1.00 0.00 C ATOM 749 CD1 TRP A 51 4.832 -3.973 -9.637 1.00 0.00 C ATOM 750 CD2 TRP A 51 3.879 -4.099 -7.641 1.00 0.00 C ATOM 751 NE1 TRP A 51 5.843 -4.039 -8.700 1.00 0.00 N ATOM 752 CE2 TRP A 51 5.245 -4.118 -7.448 1.00 0.00 C ATOM 753 CE3 TRP A 51 2.985 -4.165 -6.558 1.00 0.00 C ATOM 754 CZ2 TRP A 51 5.839 -4.203 -6.183 1.00 0.00 C ATOM 755 CZ3 TRP A 51 3.595 -4.250 -5.301 1.00 0.00 C ATOM 756 CH2 TRP A 51 4.968 -4.270 -5.090 1.00 0.00 C ATOM 0 H TRP A 51 2.894 -5.745 -11.327 1.00 0.00 H new ATOM 0 HA TRP A 51 1.675 -5.750 -8.808 1.00 0.00 H new ATOM 0 HB2 TRP A 51 2.375 -3.577 -10.751 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.622 -3.243 -9.204 1.00 0.00 H new ATOM 0 HD1 TRP A 51 4.995 -3.904 -10.702 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.845 -4.031 -8.891 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.913 -4.151 -6.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 6.912 -4.216 -6.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 2.953 -4.304 -4.434 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.361 -4.337 -4.086 1.00 0.00 H new ATOM 767 N GLU A 52 -0.748 -5.633 -9.098 1.00 0.00 N ATOM 768 CA GLU A 52 -2.195 -5.574 -9.218 1.00 0.00 C ATOM 769 C GLU A 52 -2.763 -4.507 -8.280 1.00 0.00 C ATOM 770 O GLU A 52 -2.878 -4.732 -7.076 1.00 0.00 O ATOM 771 CB GLU A 52 -2.825 -6.941 -8.938 1.00 0.00 C ATOM 772 CG GLU A 52 -2.768 -7.276 -7.447 1.00 0.00 C ATOM 773 CD GLU A 52 -2.713 -8.789 -7.226 1.00 0.00 C ATOM 774 OE1 GLU A 52 -2.010 -9.452 -8.019 1.00 0.00 O ATOM 775 OE2 GLU A 52 -3.375 -9.247 -6.270 1.00 0.00 O ATOM 0 H GLU A 52 -0.409 -6.047 -8.230 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.444 -5.299 -10.243 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.861 -6.944 -9.276 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.302 -7.710 -9.507 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.892 -6.807 -6.999 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.643 -6.863 -6.944 1.00 0.00 H new ATOM 782 N VAL A 53 -3.102 -3.369 -8.867 1.00 0.00 N ATOM 783 CA VAL A 53 -3.655 -2.266 -8.099 1.00 0.00 C ATOM 784 C VAL A 53 -4.761 -2.793 -7.183 1.00 0.00 C ATOM 785 O VAL A 53 -5.856 -3.111 -7.645 1.00 0.00 O ATOM 786 CB VAL A 53 -4.134 -1.161 -9.041 1.00 0.00 C ATOM 787 CG1 VAL A 53 -4.719 0.014 -8.255 1.00 0.00 C ATOM 788 CG2 VAL A 53 -3.004 -0.696 -9.961 1.00 0.00 C ATOM 0 H VAL A 53 -3.004 -3.187 -9.866 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.890 -1.822 -7.462 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.926 -1.574 -9.666 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.052 0.786 -8.949 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.566 -0.331 -7.662 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.956 0.425 -7.594 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.372 0.090 -10.620 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.181 -0.310 -9.360 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.653 -1.537 -10.559 1.00 0.00 H new ATOM 798 N LEU A 54 -4.438 -2.869 -5.900 1.00 0.00 N ATOM 799 CA LEU A 54 -5.391 -3.351 -4.915 1.00 0.00 C ATOM 800 C LEU A 54 -6.435 -2.265 -4.647 1.00 0.00 C ATOM 801 O LEU A 54 -7.628 -2.552 -4.572 1.00 0.00 O ATOM 802 CB LEU A 54 -4.664 -3.830 -3.656 1.00 0.00 C ATOM 803 CG LEU A 54 -3.408 -4.672 -3.886 1.00 0.00 C ATOM 804 CD1 LEU A 54 -2.704 -4.980 -2.563 1.00 0.00 C ATOM 805 CD2 LEU A 54 -3.737 -5.944 -4.670 1.00 0.00 C ATOM 0 H LEU A 54 -3.529 -2.605 -5.520 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.926 -4.220 -5.296 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.388 -2.956 -3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.363 -4.413 -3.056 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.713 -4.091 -4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.814 -5.580 -2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.415 -4.047 -2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.380 -5.533 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.827 -6.525 -4.820 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.459 -6.539 -4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.160 -5.676 -5.638 1.00 0.00 H new ATOM 817 N ASP A 55 -5.947 -1.041 -4.510 1.00 0.00 N ATOM 818 CA ASP A 55 -6.823 0.089 -4.253 1.00 0.00 C ATOM 819 C ASP A 55 -6.245 1.339 -4.920 1.00 0.00 C ATOM 820 O ASP A 55 -5.247 1.889 -4.457 1.00 0.00 O ATOM 821 CB ASP A 55 -6.938 0.365 -2.752 1.00 0.00 C ATOM 822 CG ASP A 55 -8.354 0.667 -2.258 1.00 0.00 C ATOM 823 OD1 ASP A 55 -9.234 0.843 -3.128 1.00 0.00 O ATOM 824 OD2 ASP A 55 -8.525 0.715 -1.020 1.00 0.00 O ATOM 0 H ASP A 55 -4.956 -0.807 -4.572 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.808 -0.150 -4.653 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.556 -0.499 -2.208 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.294 1.209 -2.502 1.00 0.00 H new ATOM 829 N PRO A 56 -6.915 1.762 -6.025 1.00 0.00 N ATOM 830 CA PRO A 56 -6.479 2.937 -6.761 1.00 0.00 C ATOM 831 C PRO A 56 -6.840 4.220 -6.009 1.00 0.00 C ATOM 832 O PRO A 56 -6.066 5.176 -5.999 1.00 0.00 O ATOM 833 CB PRO A 56 -7.163 2.830 -8.114 1.00 0.00 C ATOM 834 CG PRO A 56 -8.313 1.855 -7.924 1.00 0.00 C ATOM 835 CD PRO A 56 -8.101 1.136 -6.602 1.00 0.00 C ATOM 0 HA PRO A 56 -5.396 2.981 -6.879 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.526 3.803 -8.446 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.469 2.472 -8.875 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.266 2.384 -7.922 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.347 1.140 -8.746 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.966 1.248 -5.948 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.951 0.067 -6.752 1.00 0.00 H new ATOM 843 N ALA A 57 -8.014 4.199 -5.396 1.00 0.00 N ATOM 844 CA ALA A 57 -8.487 5.348 -4.643 1.00 0.00 C ATOM 845 C ALA A 57 -8.388 5.048 -3.147 1.00 0.00 C ATOM 846 O ALA A 57 -9.121 4.207 -2.629 1.00 0.00 O ATOM 847 CB ALA A 57 -9.914 5.691 -5.076 1.00 0.00 C ATOM 0 H ALA A 57 -8.652 3.404 -5.405 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.867 6.221 -4.846 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -10.268 6.553 -4.511 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.925 5.926 -6.140 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.567 4.839 -4.886 1.00 0.00 H new ATOM 853 N VAL A 58 -7.475 5.752 -2.493 1.00 0.00 N ATOM 854 CA VAL A 58 -7.270 5.571 -1.066 1.00 0.00 C ATOM 855 C VAL A 58 -7.388 6.924 -0.363 1.00 0.00 C ATOM 856 O VAL A 58 -6.772 7.902 -0.784 1.00 0.00 O ATOM 857 CB VAL A 58 -5.928 4.881 -0.813 1.00 0.00 C ATOM 858 CG1 VAL A 58 -5.656 4.745 0.686 1.00 0.00 C ATOM 859 CG2 VAL A 58 -5.874 3.518 -1.506 1.00 0.00 C ATOM 0 H VAL A 58 -6.869 6.449 -2.926 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.038 4.920 -0.650 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.144 5.506 -1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.696 4.251 0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.632 5.734 1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.446 4.152 1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.910 3.048 -1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.672 2.883 -1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.002 3.651 -2.580 1.00 0.00 H new ATOM 869 N ALA A 59 -8.183 6.938 0.697 1.00 0.00 N ATOM 870 CA ALA A 59 -8.390 8.155 1.462 1.00 0.00 C ATOM 871 C ALA A 59 -7.068 8.919 1.564 1.00 0.00 C ATOM 872 O ALA A 59 -6.034 8.337 1.886 1.00 0.00 O ATOM 873 CB ALA A 59 -8.967 7.803 2.835 1.00 0.00 C ATOM 0 H ALA A 59 -8.692 6.125 1.044 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.109 8.805 0.963 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -9.122 8.716 3.409 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.919 7.288 2.708 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.271 7.154 3.367 1.00 0.00 H new ATOM 879 N GLY A 60 -7.146 10.212 1.283 1.00 0.00 N ATOM 880 CA GLY A 60 -5.968 11.061 1.338 1.00 0.00 C ATOM 881 C GLY A 60 -5.546 11.320 2.786 1.00 0.00 C ATOM 882 O GLY A 60 -4.489 11.897 3.034 1.00 0.00 O ATOM 0 H GLY A 60 -8.006 10.692 1.017 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.149 10.588 0.796 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.175 12.009 0.841 1.00 0.00 H new ATOM 886 N THR A 61 -6.395 10.880 3.703 1.00 0.00 N ATOM 887 CA THR A 61 -6.124 11.057 5.120 1.00 0.00 C ATOM 888 C THR A 61 -5.801 9.711 5.773 1.00 0.00 C ATOM 889 O THR A 61 -5.311 9.666 6.900 1.00 0.00 O ATOM 890 CB THR A 61 -7.327 11.763 5.747 1.00 0.00 C ATOM 891 OG1 THR A 61 -8.269 10.717 5.966 1.00 0.00 O ATOM 892 CG2 THR A 61 -8.033 12.701 4.766 1.00 0.00 C ATOM 0 H THR A 61 -7.271 10.401 3.493 1.00 0.00 H new ATOM 0 HA THR A 61 -5.244 11.680 5.280 1.00 0.00 H new ATOM 0 HB THR A 61 -7.000 12.329 6.619 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.080 11.087 6.373 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.879 13.176 5.262 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.334 13.466 4.427 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.389 12.130 3.909 1.00 0.00 H new ATOM 900 N GLU A 62 -6.088 8.648 5.036 1.00 0.00 N ATOM 901 CA GLU A 62 -5.834 7.305 5.529 1.00 0.00 C ATOM 902 C GLU A 62 -4.334 7.092 5.742 1.00 0.00 C ATOM 903 O GLU A 62 -3.517 7.598 4.975 1.00 0.00 O ATOM 904 CB GLU A 62 -6.407 6.254 4.577 1.00 0.00 C ATOM 905 CG GLU A 62 -7.791 5.792 5.038 1.00 0.00 C ATOM 906 CD GLU A 62 -7.677 4.691 6.095 1.00 0.00 C ATOM 907 OE1 GLU A 62 -7.109 4.990 7.167 1.00 0.00 O ATOM 908 OE2 GLU A 62 -8.160 3.575 5.806 1.00 0.00 O ATOM 0 H GLU A 62 -6.494 8.690 4.101 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.337 7.191 6.489 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.474 6.668 3.571 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.733 5.399 4.525 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.343 6.638 5.447 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.359 5.424 4.184 1.00 0.00 H new ATOM 915 N THR A 63 -4.018 6.344 6.789 1.00 0.00 N ATOM 916 CA THR A 63 -2.631 6.058 7.112 1.00 0.00 C ATOM 917 C THR A 63 -2.376 4.550 7.082 1.00 0.00 C ATOM 918 O THR A 63 -1.305 4.089 7.476 1.00 0.00 O ATOM 919 CB THR A 63 -2.319 6.700 8.466 1.00 0.00 C ATOM 920 OG1 THR A 63 -3.578 6.733 9.132 1.00 0.00 O ATOM 921 CG2 THR A 63 -1.926 8.173 8.338 1.00 0.00 C ATOM 0 H THR A 63 -4.699 5.928 7.424 1.00 0.00 H new ATOM 0 HA THR A 63 -1.956 6.485 6.370 1.00 0.00 H new ATOM 0 HB THR A 63 -1.513 6.150 8.952 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.468 7.133 10.020 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.715 8.581 9.327 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.037 8.259 7.713 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.745 8.730 7.883 1.00 0.00 H new ATOM 929 N GLU A 64 -3.378 3.822 6.612 1.00 0.00 N ATOM 930 CA GLU A 64 -3.275 2.375 6.525 1.00 0.00 C ATOM 931 C GLU A 64 -4.448 1.807 5.723 1.00 0.00 C ATOM 932 O GLU A 64 -5.372 2.537 5.367 1.00 0.00 O ATOM 933 CB GLU A 64 -3.208 1.746 7.918 1.00 0.00 C ATOM 934 CG GLU A 64 -4.265 2.350 8.845 1.00 0.00 C ATOM 935 CD GLU A 64 -3.632 2.854 10.144 1.00 0.00 C ATOM 936 OE1 GLU A 64 -2.652 3.621 10.037 1.00 0.00 O ATOM 937 OE2 GLU A 64 -4.144 2.459 11.214 1.00 0.00 O ATOM 0 H GLU A 64 -4.265 4.207 6.287 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.350 2.126 6.005 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.359 0.669 7.842 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.216 1.900 8.343 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.770 3.173 8.339 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.024 1.602 9.073 1.00 0.00 H new ATOM 944 N LEU A 65 -4.373 0.510 5.463 1.00 0.00 N ATOM 945 CA LEU A 65 -5.417 -0.164 4.710 1.00 0.00 C ATOM 946 C LEU A 65 -5.258 -1.677 4.869 1.00 0.00 C ATOM 947 O LEU A 65 -4.152 -2.170 5.083 1.00 0.00 O ATOM 948 CB LEU A 65 -5.415 0.305 3.254 1.00 0.00 C ATOM 949 CG LEU A 65 -6.210 -0.557 2.271 1.00 0.00 C ATOM 950 CD1 LEU A 65 -7.678 -0.127 2.229 1.00 0.00 C ATOM 951 CD2 LEU A 65 -5.568 -0.539 0.882 1.00 0.00 C ATOM 0 H LEU A 65 -3.605 -0.092 5.760 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.400 0.097 5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.811 1.320 3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.382 0.354 2.910 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.186 -1.588 2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.221 -0.755 1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.117 -0.233 3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.743 0.914 1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.153 -1.159 0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.541 0.484 0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.552 -0.929 0.946 1.00 0.00 H new ATOM 963 N LEU A 66 -6.381 -2.373 4.759 1.00 0.00 N ATOM 964 CA LEU A 66 -6.380 -3.820 4.888 1.00 0.00 C ATOM 965 C LEU A 66 -6.354 -4.452 3.495 1.00 0.00 C ATOM 966 O LEU A 66 -6.965 -3.933 2.563 1.00 0.00 O ATOM 967 CB LEU A 66 -7.557 -4.281 5.751 1.00 0.00 C ATOM 968 CG LEU A 66 -7.474 -5.711 6.289 1.00 0.00 C ATOM 969 CD1 LEU A 66 -6.902 -5.730 7.708 1.00 0.00 C ATOM 970 CD2 LEU A 66 -8.834 -6.407 6.210 1.00 0.00 C ATOM 0 H LEU A 66 -7.297 -1.961 4.582 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.482 -4.156 5.407 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.650 -3.600 6.597 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.471 -4.187 5.164 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.787 -6.274 5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.854 -6.758 8.067 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.900 -5.300 7.702 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.544 -5.145 8.367 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.747 -7.422 6.599 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.561 -5.853 6.803 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.164 -6.443 5.172 1.00 0.00 H new ATOM 982 N VAL A 67 -5.639 -5.563 3.398 1.00 0.00 N ATOM 983 CA VAL A 67 -5.524 -6.271 2.134 1.00 0.00 C ATOM 984 C VAL A 67 -5.513 -7.778 2.398 1.00 0.00 C ATOM 985 O VAL A 67 -4.456 -8.408 2.378 1.00 0.00 O ATOM 986 CB VAL A 67 -4.288 -5.788 1.374 1.00 0.00 C ATOM 987 CG1 VAL A 67 -3.983 -6.703 0.186 1.00 0.00 C ATOM 988 CG2 VAL A 67 -4.456 -4.337 0.919 1.00 0.00 C ATOM 0 H VAL A 67 -5.133 -5.991 4.174 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.383 -6.059 1.498 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.438 -5.829 2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.100 -6.337 -0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.799 -7.716 0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.833 -6.709 -0.497 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.563 -4.019 0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.322 -4.260 0.262 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.603 -3.697 1.789 1.00 0.00 H new ATOM 998 N PRO A 68 -6.732 -8.328 2.647 1.00 0.00 N ATOM 999 CA PRO A 68 -6.871 -9.749 2.915 1.00 0.00 C ATOM 1000 C PRO A 68 -6.726 -10.566 1.629 1.00 0.00 C ATOM 1001 O PRO A 68 -6.729 -11.796 1.667 1.00 0.00 O ATOM 1002 CB PRO A 68 -8.240 -9.895 3.560 1.00 0.00 C ATOM 1003 CG PRO A 68 -9.004 -8.629 3.208 1.00 0.00 C ATOM 1004 CD PRO A 68 -8.004 -7.614 2.679 1.00 0.00 C ATOM 0 HA PRO A 68 -6.092 -10.131 3.574 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -8.756 -10.779 3.186 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.152 -10.011 4.640 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.767 -8.839 2.459 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.518 -8.237 4.085 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.285 -7.262 1.687 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.950 -6.738 3.325 1.00 0.00 H new ATOM 1012 N GLY A 69 -6.603 -9.850 0.521 1.00 0.00 N ATOM 1013 CA GLY A 69 -6.457 -10.493 -0.773 1.00 0.00 C ATOM 1014 C GLY A 69 -5.078 -11.141 -0.911 1.00 0.00 C ATOM 1015 O GLY A 69 -4.380 -10.920 -1.900 1.00 0.00 O ATOM 0 H GLY A 69 -6.601 -8.830 0.493 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.232 -11.249 -0.897 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.599 -9.759 -1.566 1.00 0.00 H new ATOM 1019 N LEU A 70 -4.725 -11.928 0.094 1.00 0.00 N ATOM 1020 CA LEU A 70 -3.442 -12.609 0.098 1.00 0.00 C ATOM 1021 C LEU A 70 -3.666 -14.108 0.308 1.00 0.00 C ATOM 1022 O LEU A 70 -4.721 -14.521 0.786 1.00 0.00 O ATOM 1023 CB LEU A 70 -2.502 -11.977 1.127 1.00 0.00 C ATOM 1024 CG LEU A 70 -2.330 -10.460 1.034 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -1.103 -9.999 1.825 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.277 -10.002 -0.425 1.00 0.00 C ATOM 0 H LEU A 70 -5.306 -12.109 0.912 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.946 -12.492 -0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.870 -12.221 2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.521 -12.441 1.027 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.202 -9.988 1.487 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.003 -8.917 1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.221 -10.274 2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.210 -10.478 1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.154 -8.920 -0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.435 -10.480 -0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.204 -10.280 -0.927 1.00 0.00 H new ATOM 1038 N ILE A 71 -2.655 -14.882 -0.059 1.00 0.00 N ATOM 1039 CA ILE A 71 -2.728 -16.326 0.083 1.00 0.00 C ATOM 1040 C ILE A 71 -1.624 -16.797 1.032 1.00 0.00 C ATOM 1041 O ILE A 71 -0.977 -15.984 1.690 1.00 0.00 O ATOM 1042 CB ILE A 71 -2.689 -17.003 -1.289 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -3.185 -16.054 -2.382 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -3.470 -18.318 -1.274 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -3.526 -16.822 -3.661 1.00 0.00 C ATOM 0 H ILE A 71 -1.781 -14.536 -0.455 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.679 -16.617 0.529 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.652 -17.247 -1.520 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.066 -15.517 -2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.420 -15.307 -2.595 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.426 -18.778 -2.261 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.032 -18.993 -0.539 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.509 -18.121 -1.011 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.876 -16.124 -4.422 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.637 -17.338 -4.023 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.308 -17.551 -3.450 1.00 0.00 H new ATOM 1057 N LYS A 72 -1.444 -18.109 1.074 1.00 0.00 N ATOM 1058 CA LYS A 72 -0.430 -18.698 1.932 1.00 0.00 C ATOM 1059 C LYS A 72 0.632 -19.380 1.066 1.00 0.00 C ATOM 1060 O LYS A 72 0.336 -19.842 -0.035 1.00 0.00 O ATOM 1061 CB LYS A 72 -1.073 -19.628 2.961 1.00 0.00 C ATOM 1062 CG LYS A 72 -1.836 -20.763 2.274 1.00 0.00 C ATOM 1063 CD LYS A 72 -3.251 -20.895 2.842 1.00 0.00 C ATOM 1064 CE LYS A 72 -4.302 -20.607 1.768 1.00 0.00 C ATOM 1065 NZ LYS A 72 -5.260 -19.583 2.242 1.00 0.00 N ATOM 0 H LYS A 72 -1.983 -18.781 0.528 1.00 0.00 H new ATOM 0 HA LYS A 72 0.077 -17.924 2.509 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.303 -20.044 3.611 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.753 -19.060 3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.887 -20.575 1.202 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.298 -21.701 2.408 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.396 -21.900 3.237 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.378 -20.204 3.675 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.814 -20.263 0.856 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.835 -21.524 1.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.966 -19.399 1.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.738 -19.926 3.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.749 -18.704 2.459 1.00 0.00 H new ATOM 1079 N ASP A 73 1.845 -19.421 1.596 1.00 0.00 N ATOM 1080 CA ASP A 73 2.952 -20.039 0.885 1.00 0.00 C ATOM 1081 C ASP A 73 3.524 -19.042 -0.125 1.00 0.00 C ATOM 1082 O ASP A 73 4.525 -19.323 -0.781 1.00 0.00 O ATOM 1083 CB ASP A 73 2.490 -21.278 0.116 1.00 0.00 C ATOM 1084 CG ASP A 73 3.543 -22.378 -0.031 1.00 0.00 C ATOM 1085 OD1 ASP A 73 4.197 -22.677 0.992 1.00 0.00 O ATOM 1086 OD2 ASP A 73 3.670 -22.895 -1.162 1.00 0.00 O ATOM 0 H ASP A 73 2.086 -19.036 2.509 1.00 0.00 H new ATOM 0 HA ASP A 73 3.704 -20.330 1.619 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.618 -21.696 0.620 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.167 -20.970 -0.878 1.00 0.00 H new ATOM 1091 N VAL A 74 2.862 -17.897 -0.218 1.00 0.00 N ATOM 1092 CA VAL A 74 3.292 -16.857 -1.136 1.00 0.00 C ATOM 1093 C VAL A 74 3.715 -15.621 -0.339 1.00 0.00 C ATOM 1094 O VAL A 74 3.456 -15.533 0.860 1.00 0.00 O ATOM 1095 CB VAL A 74 2.185 -16.564 -2.151 1.00 0.00 C ATOM 1096 CG1 VAL A 74 1.769 -17.837 -2.891 1.00 0.00 C ATOM 1097 CG2 VAL A 74 0.981 -15.905 -1.474 1.00 0.00 C ATOM 0 H VAL A 74 2.031 -17.668 0.328 1.00 0.00 H new ATOM 0 HA VAL A 74 4.159 -17.187 -1.707 1.00 0.00 H new ATOM 0 HB VAL A 74 2.581 -15.863 -2.886 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.981 -17.601 -3.606 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.629 -18.247 -3.421 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.400 -18.571 -2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.209 -15.707 -2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.585 -16.571 -0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.291 -14.967 -1.014 1.00 0.00 H new ATOM 1107 N LEU A 75 4.359 -14.697 -1.038 1.00 0.00 N ATOM 1108 CA LEU A 75 4.820 -13.471 -0.410 1.00 0.00 C ATOM 1109 C LEU A 75 4.306 -12.270 -1.208 1.00 0.00 C ATOM 1110 O LEU A 75 4.923 -11.865 -2.192 1.00 0.00 O ATOM 1111 CB LEU A 75 6.340 -13.493 -0.243 1.00 0.00 C ATOM 1112 CG LEU A 75 6.910 -12.571 0.837 1.00 0.00 C ATOM 1113 CD1 LEU A 75 6.051 -11.315 0.995 1.00 0.00 C ATOM 1114 CD2 LEU A 75 7.082 -13.318 2.161 1.00 0.00 C ATOM 0 H LEU A 75 4.572 -14.773 -2.033 1.00 0.00 H new ATOM 0 HA LEU A 75 4.413 -13.383 0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.646 -14.515 -0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.794 -13.226 -1.197 1.00 0.00 H new ATOM 0 HG LEU A 75 7.901 -12.246 0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.478 -10.677 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.024 -10.772 0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.038 -11.600 1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.489 -12.640 2.911 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.115 -13.692 2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.766 -14.155 2.020 1.00 0.00 H new ATOM 1126 N TYR A 76 3.182 -11.736 -0.755 1.00 0.00 N ATOM 1127 CA TYR A 76 2.578 -10.591 -1.414 1.00 0.00 C ATOM 1128 C TYR A 76 3.241 -9.287 -0.964 1.00 0.00 C ATOM 1129 O TYR A 76 3.466 -9.080 0.227 1.00 0.00 O ATOM 1130 CB TYR A 76 1.111 -10.579 -0.980 1.00 0.00 C ATOM 1131 CG TYR A 76 0.141 -11.077 -2.053 1.00 0.00 C ATOM 1132 CD1 TYR A 76 -0.118 -12.427 -2.175 1.00 0.00 C ATOM 1133 CD2 TYR A 76 -0.474 -10.177 -2.899 1.00 0.00 C ATOM 1134 CE1 TYR A 76 -1.032 -12.897 -3.185 1.00 0.00 C ATOM 1135 CE2 TYR A 76 -1.387 -10.647 -3.909 1.00 0.00 C ATOM 1136 CZ TYR A 76 -1.621 -11.983 -4.002 1.00 0.00 C ATOM 1137 OH TYR A 76 -2.484 -12.426 -4.955 1.00 0.00 O ATOM 0 H TYR A 76 2.673 -12.075 0.061 1.00 0.00 H new ATOM 0 HA TYR A 76 2.693 -10.666 -2.495 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.001 -11.198 -0.090 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.834 -9.563 -0.698 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.364 -13.131 -1.513 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.271 -9.121 -2.804 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.244 -13.951 -3.291 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.875 -9.953 -4.578 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.829 -11.663 -5.464 1.00 0.00 H new ATOM 1147 N GLU A 77 3.536 -8.442 -1.942 1.00 0.00 N ATOM 1148 CA GLU A 77 4.169 -7.165 -1.661 1.00 0.00 C ATOM 1149 C GLU A 77 3.125 -6.046 -1.651 1.00 0.00 C ATOM 1150 O GLU A 77 1.931 -6.306 -1.795 1.00 0.00 O ATOM 1151 CB GLU A 77 5.278 -6.869 -2.672 1.00 0.00 C ATOM 1152 CG GLU A 77 6.590 -7.539 -2.258 1.00 0.00 C ATOM 1153 CD GLU A 77 7.433 -7.899 -3.483 1.00 0.00 C ATOM 1154 OE1 GLU A 77 8.233 -7.032 -3.896 1.00 0.00 O ATOM 1155 OE2 GLU A 77 7.257 -9.033 -3.979 1.00 0.00 O ATOM 0 H GLU A 77 3.348 -8.617 -2.929 1.00 0.00 H new ATOM 0 HA GLU A 77 4.627 -7.218 -0.673 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.980 -7.224 -3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.425 -5.792 -2.751 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.154 -6.871 -1.608 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.377 -8.439 -1.682 1.00 0.00 H new ATOM 1162 N PHE A 78 3.612 -4.827 -1.478 1.00 0.00 N ATOM 1163 CA PHE A 78 2.736 -3.668 -1.447 1.00 0.00 C ATOM 1164 C PHE A 78 3.527 -2.377 -1.667 1.00 0.00 C ATOM 1165 O PHE A 78 4.696 -2.289 -1.294 1.00 0.00 O ATOM 1166 CB PHE A 78 2.095 -3.629 -0.058 1.00 0.00 C ATOM 1167 CG PHE A 78 1.173 -4.815 0.235 1.00 0.00 C ATOM 1168 CD1 PHE A 78 -0.023 -4.920 -0.404 1.00 0.00 C ATOM 1169 CD2 PHE A 78 1.550 -5.763 1.133 1.00 0.00 C ATOM 1170 CE1 PHE A 78 -0.878 -6.020 -0.132 1.00 0.00 C ATOM 1171 CE2 PHE A 78 0.695 -6.864 1.405 1.00 0.00 C ATOM 1172 CZ PHE A 78 -0.502 -6.969 0.767 1.00 0.00 C ATOM 0 H PHE A 78 4.603 -4.616 -1.358 1.00 0.00 H new ATOM 0 HA PHE A 78 1.990 -3.744 -2.238 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.883 -3.600 0.694 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.525 -2.705 0.042 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.322 -4.167 -1.118 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.500 -5.679 1.640 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.828 -6.103 -0.639 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.995 -7.618 2.118 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.153 -7.805 0.974 1.00 0.00 H new ATOM 1182 N ARG A 79 2.857 -1.406 -2.271 1.00 0.00 N ATOM 1183 CA ARG A 79 3.483 -0.123 -2.544 1.00 0.00 C ATOM 1184 C ARG A 79 2.422 0.976 -2.634 1.00 0.00 C ATOM 1185 O ARG A 79 1.431 0.831 -3.348 1.00 0.00 O ATOM 1186 CB ARG A 79 4.276 -0.165 -3.852 1.00 0.00 C ATOM 1187 CG ARG A 79 3.349 -0.390 -5.048 1.00 0.00 C ATOM 1188 CD ARG A 79 4.153 -0.624 -6.329 1.00 0.00 C ATOM 1189 NE ARG A 79 3.608 0.205 -7.427 1.00 0.00 N ATOM 1190 CZ ARG A 79 4.096 0.215 -8.675 1.00 0.00 C ATOM 1191 NH1 ARG A 79 5.143 -0.560 -8.991 1.00 0.00 N ATOM 1192 NH2 ARG A 79 3.538 0.999 -9.607 1.00 0.00 N ATOM 0 H ARG A 79 1.888 -1.482 -2.579 1.00 0.00 H new ATOM 0 HA ARG A 79 4.168 0.094 -1.724 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.821 0.770 -3.981 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.017 -0.963 -3.807 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.705 -1.248 -4.857 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.698 0.475 -5.176 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.201 -0.376 -6.161 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.115 -1.678 -6.605 1.00 0.00 H new ATOM 0 HE ARG A 79 2.811 0.807 -7.221 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.568 -1.157 -8.282 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.515 -0.553 -9.941 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.741 1.589 -9.367 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.910 1.006 -10.557 1.00 0.00 H new ATOM 1206 N LEU A 80 2.667 2.051 -1.899 1.00 0.00 N ATOM 1207 CA LEU A 80 1.745 3.175 -1.887 1.00 0.00 C ATOM 1208 C LEU A 80 2.314 4.305 -2.746 1.00 0.00 C ATOM 1209 O LEU A 80 3.512 4.581 -2.701 1.00 0.00 O ATOM 1210 CB LEU A 80 1.431 3.594 -0.449 1.00 0.00 C ATOM 1211 CG LEU A 80 -0.012 4.022 -0.176 1.00 0.00 C ATOM 1212 CD1 LEU A 80 -1.003 3.009 -0.752 1.00 0.00 C ATOM 1213 CD2 LEU A 80 -0.240 4.260 1.318 1.00 0.00 C ATOM 0 H LEU A 80 3.490 2.168 -1.308 1.00 0.00 H new ATOM 0 HA LEU A 80 0.790 2.889 -2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.674 2.762 0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.091 4.419 -0.179 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.189 4.970 -0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.021 3.337 -0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.860 2.932 -1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.835 2.035 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.274 4.563 1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.038 3.341 1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.429 5.046 1.668 1.00 0.00 H new ATOM 1225 N VAL A 81 1.429 4.929 -3.509 1.00 0.00 N ATOM 1226 CA VAL A 81 1.828 6.023 -4.378 1.00 0.00 C ATOM 1227 C VAL A 81 0.861 7.194 -4.193 1.00 0.00 C ATOM 1228 O VAL A 81 -0.245 7.181 -4.732 1.00 0.00 O ATOM 1229 CB VAL A 81 1.910 5.538 -5.827 1.00 0.00 C ATOM 1230 CG1 VAL A 81 2.241 6.693 -6.774 1.00 0.00 C ATOM 1231 CG2 VAL A 81 2.927 4.404 -5.969 1.00 0.00 C ATOM 0 H VAL A 81 0.436 4.698 -3.544 1.00 0.00 H new ATOM 0 HA VAL A 81 2.824 6.378 -4.112 1.00 0.00 H new ATOM 0 HB VAL A 81 0.931 5.147 -6.105 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.293 6.321 -7.797 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.464 7.455 -6.704 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.201 7.127 -6.496 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.966 4.078 -7.008 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.912 4.758 -5.663 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.630 3.567 -5.337 1.00 0.00 H new ATOM 1241 N ALA A 82 1.312 8.178 -3.430 1.00 0.00 N ATOM 1242 CA ALA A 82 0.500 9.354 -3.167 1.00 0.00 C ATOM 1243 C ALA A 82 0.481 10.243 -4.412 1.00 0.00 C ATOM 1244 O ALA A 82 1.514 10.454 -5.045 1.00 0.00 O ATOM 1245 CB ALA A 82 1.043 10.085 -1.937 1.00 0.00 C ATOM 0 H ALA A 82 2.230 8.185 -2.985 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.529 9.069 -2.949 1.00 0.00 H new ATOM 0 HB1 ALA A 82 0.434 10.967 -1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.009 9.420 -1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.074 10.389 -2.120 1.00 0.00 H new ATOM 1251 N PHE A 83 -0.706 10.741 -4.726 1.00 0.00 N ATOM 1252 CA PHE A 83 -0.874 11.603 -5.884 1.00 0.00 C ATOM 1253 C PHE A 83 -1.892 12.709 -5.601 1.00 0.00 C ATOM 1254 O PHE A 83 -2.920 12.465 -4.971 1.00 0.00 O ATOM 1255 CB PHE A 83 -1.395 10.725 -7.023 1.00 0.00 C ATOM 1256 CG PHE A 83 -2.794 10.156 -6.780 1.00 0.00 C ATOM 1257 CD1 PHE A 83 -3.875 10.982 -6.792 1.00 0.00 C ATOM 1258 CD2 PHE A 83 -2.958 8.826 -6.553 1.00 0.00 C ATOM 1259 CE1 PHE A 83 -5.174 10.454 -6.567 1.00 0.00 C ATOM 1260 CE2 PHE A 83 -4.257 8.298 -6.327 1.00 0.00 C ATOM 1261 CZ PHE A 83 -5.337 9.124 -6.339 1.00 0.00 C ATOM 0 H PHE A 83 -1.561 10.564 -4.199 1.00 0.00 H new ATOM 0 HA PHE A 83 0.075 12.076 -6.137 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.407 11.310 -7.943 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.700 9.900 -7.179 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.745 12.039 -6.973 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.100 8.170 -6.544 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -6.032 11.109 -6.577 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.387 7.241 -6.146 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.325 8.723 -6.167 1.00 0.00 H new ATOM 1271 N ALA A 84 -1.572 13.902 -6.082 1.00 0.00 N ATOM 1272 CA ALA A 84 -2.446 15.046 -5.889 1.00 0.00 C ATOM 1273 C ALA A 84 -2.834 15.622 -7.252 1.00 0.00 C ATOM 1274 O ALA A 84 -1.968 16.017 -8.032 1.00 0.00 O ATOM 1275 CB ALA A 84 -1.750 16.076 -4.997 1.00 0.00 C ATOM 0 H ALA A 84 -0.719 14.101 -6.605 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.365 14.746 -5.385 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.406 16.934 -4.852 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.523 15.626 -4.031 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.825 16.402 -5.472 1.00 0.00 H new ATOM 1281 N GLY A 85 -4.135 15.650 -7.498 1.00 0.00 N ATOM 1282 CA GLY A 85 -4.648 16.171 -8.754 1.00 0.00 C ATOM 1283 C GLY A 85 -4.017 15.449 -9.946 1.00 0.00 C ATOM 1284 O GLY A 85 -4.490 14.390 -10.356 1.00 0.00 O ATOM 0 H GLY A 85 -4.850 15.320 -6.849 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.731 16.054 -8.785 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.441 17.239 -8.820 1.00 0.00 H new ATOM 1288 N SER A 86 -2.958 16.050 -10.468 1.00 0.00 N ATOM 1289 CA SER A 86 -2.257 15.477 -11.605 1.00 0.00 C ATOM 1290 C SER A 86 -0.814 15.146 -11.217 1.00 0.00 C ATOM 1291 O SER A 86 0.030 14.924 -12.084 1.00 0.00 O ATOM 1292 CB SER A 86 -2.280 16.429 -12.803 1.00 0.00 C ATOM 1293 OG SER A 86 -3.526 16.388 -13.493 1.00 0.00 O ATOM 0 H SER A 86 -2.568 16.928 -10.125 1.00 0.00 H new ATOM 0 HA SER A 86 -2.768 14.559 -11.895 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.088 17.446 -12.462 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.476 16.166 -13.490 1.00 0.00 H new ATOM 0 HG SER A 86 -3.502 17.010 -14.250 1.00 0.00 H new ATOM 1299 N PHE A 87 -0.575 15.124 -9.914 1.00 0.00 N ATOM 1300 CA PHE A 87 0.751 14.825 -9.401 1.00 0.00 C ATOM 1301 C PHE A 87 0.809 13.408 -8.826 1.00 0.00 C ATOM 1302 O PHE A 87 -0.063 13.011 -8.055 1.00 0.00 O ATOM 1303 CB PHE A 87 1.035 15.829 -8.282 1.00 0.00 C ATOM 1304 CG PHE A 87 1.180 17.273 -8.765 1.00 0.00 C ATOM 1305 CD1 PHE A 87 0.105 17.930 -9.277 1.00 0.00 C ATOM 1306 CD2 PHE A 87 2.383 17.901 -8.681 1.00 0.00 C ATOM 1307 CE1 PHE A 87 0.239 19.271 -9.724 1.00 0.00 C ATOM 1308 CE2 PHE A 87 2.517 19.242 -9.128 1.00 0.00 C ATOM 1309 CZ PHE A 87 1.442 19.899 -9.641 1.00 0.00 C ATOM 0 H PHE A 87 -1.278 15.308 -9.198 1.00 0.00 H new ATOM 0 HA PHE A 87 1.485 14.893 -10.204 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.228 15.780 -7.551 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.950 15.535 -7.767 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.851 17.432 -9.344 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.237 17.380 -8.274 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.615 19.792 -10.130 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.473 19.741 -9.061 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.544 20.919 -9.982 1.00 0.00 H new ATOM 1319 N VAL A 88 1.845 12.685 -9.223 1.00 0.00 N ATOM 1320 CA VAL A 88 2.029 11.321 -8.757 1.00 0.00 C ATOM 1321 C VAL A 88 3.359 11.217 -8.008 1.00 0.00 C ATOM 1322 O VAL A 88 4.396 11.642 -8.515 1.00 0.00 O ATOM 1323 CB VAL A 88 1.927 10.347 -9.933 1.00 0.00 C ATOM 1324 CG1 VAL A 88 2.535 8.990 -9.575 1.00 0.00 C ATOM 1325 CG2 VAL A 88 0.476 10.194 -10.395 1.00 0.00 C ATOM 0 H VAL A 88 2.566 13.018 -9.863 1.00 0.00 H new ATOM 0 HA VAL A 88 1.240 11.047 -8.057 1.00 0.00 H new ATOM 0 HB VAL A 88 2.500 10.762 -10.762 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.449 8.317 -10.428 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.586 9.119 -9.318 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.003 8.566 -8.723 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.432 9.497 -11.232 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.129 9.813 -9.573 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.090 11.164 -10.710 1.00 0.00 H new ATOM 1335 N SER A 89 3.286 10.649 -6.813 1.00 0.00 N ATOM 1336 CA SER A 89 4.471 10.484 -5.990 1.00 0.00 C ATOM 1337 C SER A 89 5.069 9.092 -6.206 1.00 0.00 C ATOM 1338 O SER A 89 4.414 8.210 -6.759 1.00 0.00 O ATOM 1339 CB SER A 89 4.148 10.698 -4.510 1.00 0.00 C ATOM 1340 OG SER A 89 3.475 9.578 -3.942 1.00 0.00 O ATOM 0 H SER A 89 2.424 10.297 -6.396 1.00 0.00 H new ATOM 0 HA SER A 89 5.201 11.237 -6.288 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.071 10.883 -3.961 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.528 11.588 -4.399 1.00 0.00 H new ATOM 0 HG SER A 89 2.756 9.290 -4.542 1.00 0.00 H new ATOM 1346 N ASP A 90 6.307 8.939 -5.759 1.00 0.00 N ATOM 1347 CA ASP A 90 7.000 7.669 -5.897 1.00 0.00 C ATOM 1348 C ASP A 90 6.368 6.643 -4.955 1.00 0.00 C ATOM 1349 O ASP A 90 5.802 7.006 -3.925 1.00 0.00 O ATOM 1350 CB ASP A 90 8.478 7.805 -5.524 1.00 0.00 C ATOM 1351 CG ASP A 90 9.139 6.521 -5.021 1.00 0.00 C ATOM 1352 OD1 ASP A 90 8.713 6.046 -3.946 1.00 0.00 O ATOM 1353 OD2 ASP A 90 10.055 6.042 -5.724 1.00 0.00 O ATOM 0 H ASP A 90 6.848 9.673 -5.301 1.00 0.00 H new ATOM 0 HA ASP A 90 6.918 7.351 -6.936 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.026 8.160 -6.397 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.574 8.571 -4.754 1.00 0.00 H new ATOM 1358 N PRO A 91 6.489 5.347 -5.352 1.00 0.00 N ATOM 1359 CA PRO A 91 5.935 4.266 -4.555 1.00 0.00 C ATOM 1360 C PRO A 91 6.794 4.003 -3.316 1.00 0.00 C ATOM 1361 O PRO A 91 7.848 3.374 -3.409 1.00 0.00 O ATOM 1362 CB PRO A 91 5.872 3.075 -5.497 1.00 0.00 C ATOM 1363 CG PRO A 91 6.816 3.400 -6.643 1.00 0.00 C ATOM 1364 CD PRO A 91 7.152 4.880 -6.565 1.00 0.00 C ATOM 0 HA PRO A 91 4.946 4.498 -4.161 1.00 0.00 H new ATOM 0 HB2 PRO A 91 6.175 2.159 -4.989 1.00 0.00 H new ATOM 0 HB3 PRO A 91 4.856 2.918 -5.860 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.722 2.799 -6.573 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.350 3.164 -7.600 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.229 5.039 -6.514 1.00 0.00 H new ATOM 0 HD3 PRO A 91 6.792 5.415 -7.444 1.00 0.00 H new ATOM 1372 N SER A 92 6.312 4.496 -2.185 1.00 0.00 N ATOM 1373 CA SER A 92 7.023 4.322 -0.930 1.00 0.00 C ATOM 1374 C SER A 92 7.624 2.917 -0.859 1.00 0.00 C ATOM 1375 O SER A 92 7.207 2.022 -1.593 1.00 0.00 O ATOM 1376 CB SER A 92 6.098 4.565 0.265 1.00 0.00 C ATOM 1377 OG SER A 92 4.962 3.705 0.244 1.00 0.00 O ATOM 0 H SER A 92 5.438 5.016 -2.111 1.00 0.00 H new ATOM 0 HA SER A 92 7.827 5.056 -0.888 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.653 4.410 1.190 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.767 5.603 0.262 1.00 0.00 H new ATOM 0 HG SER A 92 4.321 3.993 0.927 1.00 0.00 H new ATOM 1383 N ASN A 93 8.593 2.767 0.031 1.00 0.00 N ATOM 1384 CA ASN A 93 9.255 1.486 0.208 1.00 0.00 C ATOM 1385 C ASN A 93 8.237 0.360 0.019 1.00 0.00 C ATOM 1386 O ASN A 93 7.054 0.533 0.308 1.00 0.00 O ATOM 1387 CB ASN A 93 9.845 1.359 1.614 1.00 0.00 C ATOM 1388 CG ASN A 93 9.052 2.198 2.618 1.00 0.00 C ATOM 1389 OD1 ASN A 93 9.136 3.414 2.654 1.00 0.00 O ATOM 1390 ND2 ASN A 93 8.279 1.482 3.430 1.00 0.00 N ATOM 0 H ASN A 93 8.936 3.512 0.638 1.00 0.00 H new ATOM 0 HA ASN A 93 10.057 1.418 -0.527 1.00 0.00 H new ATOM 0 HB2 ASN A 93 9.838 0.314 1.922 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.886 1.682 1.606 1.00 0.00 H new ATOM 0 HD21 ASN A 93 7.710 1.949 4.136 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.255 0.466 3.347 1.00 0.00 H new ATOM 1397 N THR A 94 8.733 -0.769 -0.465 1.00 0.00 N ATOM 1398 CA THR A 94 7.881 -1.923 -0.696 1.00 0.00 C ATOM 1399 C THR A 94 7.653 -2.688 0.610 1.00 0.00 C ATOM 1400 O THR A 94 8.606 -3.021 1.313 1.00 0.00 O ATOM 1401 CB THR A 94 8.524 -2.774 -1.793 1.00 0.00 C ATOM 1402 OG1 THR A 94 9.261 -1.835 -2.573 1.00 0.00 O ATOM 1403 CG2 THR A 94 7.495 -3.344 -2.771 1.00 0.00 C ATOM 0 H THR A 94 9.715 -0.909 -0.704 1.00 0.00 H new ATOM 0 HA THR A 94 6.891 -1.621 -1.037 1.00 0.00 H new ATOM 0 HB THR A 94 9.083 -3.591 -1.337 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.712 -2.302 -3.307 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.004 -3.939 -3.529 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.788 -3.973 -2.230 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.958 -2.526 -3.252 1.00 0.00 H new ATOM 1411 N ALA A 95 6.385 -2.943 0.895 1.00 0.00 N ATOM 1412 CA ALA A 95 6.019 -3.661 2.104 1.00 0.00 C ATOM 1413 C ALA A 95 5.330 -4.973 1.723 1.00 0.00 C ATOM 1414 O ALA A 95 4.545 -5.015 0.778 1.00 0.00 O ATOM 1415 CB ALA A 95 5.135 -2.771 2.980 1.00 0.00 C ATOM 0 H ALA A 95 5.598 -2.665 0.309 1.00 0.00 H new ATOM 0 HA ALA A 95 6.906 -3.911 2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.861 -3.310 3.887 1.00 0.00 H new ATOM 0 HB2 ALA A 95 5.681 -1.866 3.247 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.233 -2.502 2.431 1.00 0.00 H new ATOM 1421 N ASN A 96 5.650 -6.013 2.479 1.00 0.00 N ATOM 1422 CA ASN A 96 5.071 -7.323 2.233 1.00 0.00 C ATOM 1423 C ASN A 96 4.890 -8.054 3.565 1.00 0.00 C ATOM 1424 O ASN A 96 5.432 -7.635 4.586 1.00 0.00 O ATOM 1425 CB ASN A 96 5.987 -8.172 1.349 1.00 0.00 C ATOM 1426 CG ASN A 96 7.280 -8.532 2.084 1.00 0.00 C ATOM 1427 OD1 ASN A 96 7.438 -8.290 3.269 1.00 0.00 O ATOM 1428 ND2 ASN A 96 8.192 -9.121 1.317 1.00 0.00 N ATOM 0 H ASN A 96 6.303 -5.975 3.262 1.00 0.00 H new ATOM 0 HA ASN A 96 4.115 -7.180 1.730 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.468 -9.083 1.051 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.224 -7.627 0.435 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.089 -9.400 1.714 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.995 -9.294 0.331 1.00 0.00 H new ATOM 1435 N VAL A 97 4.125 -9.135 3.511 1.00 0.00 N ATOM 1436 CA VAL A 97 3.865 -9.928 4.700 1.00 0.00 C ATOM 1437 C VAL A 97 4.274 -11.379 4.440 1.00 0.00 C ATOM 1438 O VAL A 97 4.366 -11.805 3.290 1.00 0.00 O ATOM 1439 CB VAL A 97 2.398 -9.786 5.114 1.00 0.00 C ATOM 1440 CG1 VAL A 97 1.865 -8.393 4.772 1.00 0.00 C ATOM 1441 CG2 VAL A 97 1.539 -10.875 4.470 1.00 0.00 C ATOM 0 H VAL A 97 3.677 -9.480 2.662 1.00 0.00 H new ATOM 0 HA VAL A 97 4.462 -9.567 5.537 1.00 0.00 H new ATOM 0 HB VAL A 97 2.341 -9.911 6.195 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.821 -8.318 5.076 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.451 -7.640 5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.943 -8.227 3.697 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.502 -10.751 4.781 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.605 -10.796 3.385 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.897 -11.855 4.785 1.00 0.00 H new ATOM 1451 N SER A 98 4.510 -12.098 5.528 1.00 0.00 N ATOM 1452 CA SER A 98 4.908 -13.492 5.432 1.00 0.00 C ATOM 1453 C SER A 98 3.766 -14.395 5.899 1.00 0.00 C ATOM 1454 O SER A 98 2.995 -14.022 6.782 1.00 0.00 O ATOM 1455 CB SER A 98 6.170 -13.762 6.254 1.00 0.00 C ATOM 1456 OG SER A 98 6.679 -15.075 6.035 1.00 0.00 O ATOM 0 H SER A 98 4.433 -11.741 6.480 1.00 0.00 H new ATOM 0 HA SER A 98 5.133 -13.713 4.389 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.934 -13.029 5.996 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.948 -13.631 7.313 1.00 0.00 H new ATOM 0 HG SER A 98 7.485 -15.208 6.576 1.00 0.00 H new