USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 579 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 59 THR OG1 : rot -85:sc= -0.883 USER MOD Set 1.2: A 62 CYS SG : rot 91:sc= 0.0888 USER MOD Set 2.1: A 29 CYS SG : rot -13:sc= -1.47 USER MOD Set 2.2: A 30 GLN : amide:sc= -0.651! C(o=-2.1!,f=-11!) USER MOD Single : A 7 GLN : amide:sc= -0.193 K(o=-0.19,f=-2.7!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= -1.5! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.34 X(o=-0.34,f=-0.07) USER MOD Single : A 18 SER OG : rot 29:sc= 0.348 USER MOD Single : A 20 CYS SG : rot 180:sc= -0.129 USER MOD Single : A 21 LYS NZ :NH3+ 161:sc= -0.0408 (180deg=-0.253) USER MOD Single : A 28 SER OG : rot 140:sc= 0.484 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 118:sc= -3.04! USER MOD Single : A 41 GLN : amide:sc= -0.509 X(o=-0.51,f=-0.13) USER MOD Single : A 47 SER OG : rot 39:sc= -1.21 USER MOD Single : A 50 CYS SG : rot -8:sc= -6.46! USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.03! USER MOD Single : A 68 ASN : amide:sc= -0.283 K(o=-0.28,f=-2.6!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0991 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0941 USER MOD Single : A 82 HIS : no HD1:sc= -0.0703 X(o=-0.07,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 98 N GLN A 7 84.484 0.518 -6.641 1.00 0.00 N ATOM 99 CA GLN A 7 84.076 1.751 -5.904 1.00 0.00 C ATOM 100 C GLN A 7 82.917 1.441 -4.952 1.00 0.00 C ATOM 101 O GLN A 7 82.265 0.422 -5.078 1.00 0.00 O ATOM 102 CB GLN A 7 83.636 2.745 -6.983 1.00 0.00 C ATOM 103 CG GLN A 7 84.570 3.957 -6.971 1.00 0.00 C ATOM 104 CD GLN A 7 83.808 5.197 -7.438 1.00 0.00 C ATOM 105 OE1 GLN A 7 82.597 5.252 -7.343 1.00 0.00 O ATOM 106 NE2 GLN A 7 84.469 6.201 -7.945 1.00 0.00 N ATOM 0 HA GLN A 7 84.888 2.150 -5.297 1.00 0.00 H new ATOM 0 HB2 GLN A 7 83.655 2.267 -7.962 1.00 0.00 H new ATOM 0 HB3 GLN A 7 82.609 3.062 -6.803 1.00 0.00 H new ATOM 0 HG2 GLN A 7 84.963 4.116 -5.967 1.00 0.00 H new ATOM 0 HG3 GLN A 7 85.425 3.776 -7.623 1.00 0.00 H new ATOM 0 HE21 GLN A 7 85.485 6.155 -8.025 1.00 0.00 H new ATOM 0 HE22 GLN A 7 83.970 7.032 -8.262 1.00 0.00 H new ATOM 115 N PRO A 8 82.704 2.333 -4.023 1.00 0.00 N ATOM 116 CA PRO A 8 81.617 2.158 -3.027 1.00 0.00 C ATOM 117 C PRO A 8 80.245 2.355 -3.677 1.00 0.00 C ATOM 118 O PRO A 8 80.043 3.259 -4.465 1.00 0.00 O ATOM 119 CB PRO A 8 81.889 3.257 -2.003 1.00 0.00 C ATOM 120 CG PRO A 8 82.657 4.299 -2.752 1.00 0.00 C ATOM 121 CD PRO A 8 83.448 3.581 -3.813 1.00 0.00 C ATOM 0 HA PRO A 8 81.602 1.160 -2.589 1.00 0.00 H new ATOM 0 HB2 PRO A 8 80.960 3.663 -1.602 1.00 0.00 H new ATOM 0 HB3 PRO A 8 82.461 2.876 -1.157 1.00 0.00 H new ATOM 0 HG2 PRO A 8 81.982 5.028 -3.201 1.00 0.00 H new ATOM 0 HG3 PRO A 8 83.319 4.847 -2.082 1.00 0.00 H new ATOM 0 HD2 PRO A 8 83.512 4.167 -4.730 1.00 0.00 H new ATOM 0 HD3 PRO A 8 84.470 3.387 -3.487 1.00 0.00 H new ATOM 129 N LYS A 9 79.300 1.519 -3.347 1.00 0.00 N ATOM 130 CA LYS A 9 77.939 1.662 -3.937 1.00 0.00 C ATOM 131 C LYS A 9 77.145 2.713 -3.157 1.00 0.00 C ATOM 132 O LYS A 9 77.555 3.153 -2.102 1.00 0.00 O ATOM 133 CB LYS A 9 77.293 0.284 -3.789 1.00 0.00 C ATOM 134 CG LYS A 9 77.412 -0.482 -5.108 1.00 0.00 C ATOM 135 CD LYS A 9 76.017 -0.886 -5.590 1.00 0.00 C ATOM 136 CE LYS A 9 75.380 -1.833 -4.572 1.00 0.00 C ATOM 137 NZ LYS A 9 75.837 -3.193 -4.974 1.00 0.00 N ATOM 0 H LYS A 9 79.411 0.743 -2.694 1.00 0.00 H new ATOM 0 HA LYS A 9 77.968 1.985 -4.978 1.00 0.00 H new ATOM 0 HB2 LYS A 9 77.779 -0.273 -2.988 1.00 0.00 H new ATOM 0 HB3 LYS A 9 76.244 0.391 -3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 9 77.902 0.138 -5.858 1.00 0.00 H new ATOM 0 HG3 LYS A 9 78.032 -1.368 -4.972 1.00 0.00 H new ATOM 0 HD2 LYS A 9 75.394 -0.001 -5.718 1.00 0.00 H new ATOM 0 HD3 LYS A 9 76.084 -1.372 -6.563 1.00 0.00 H new ATOM 0 HE2 LYS A 9 75.698 -1.594 -3.557 1.00 0.00 H new ATOM 0 HE3 LYS A 9 74.293 -1.760 -4.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 75.441 -3.899 -4.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 75.514 -3.396 -5.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 76.876 -3.234 -4.940 1.00 0.00 H new ATOM 151 N CYS A 10 76.015 3.120 -3.663 1.00 0.00 N ATOM 152 CA CYS A 10 75.207 4.142 -2.939 1.00 0.00 C ATOM 153 C CYS A 10 73.714 3.820 -3.054 1.00 0.00 C ATOM 154 O CYS A 10 73.274 3.208 -4.007 1.00 0.00 O ATOM 155 CB CYS A 10 75.526 5.463 -3.639 1.00 0.00 C ATOM 156 SG CYS A 10 77.320 5.645 -3.794 1.00 0.00 S ATOM 0 H CYS A 10 75.617 2.791 -4.543 1.00 0.00 H new ATOM 0 HA CYS A 10 75.441 4.175 -1.875 1.00 0.00 H new ATOM 0 HB2 CYS A 10 75.061 5.486 -4.624 1.00 0.00 H new ATOM 0 HB3 CYS A 10 75.113 6.297 -3.072 1.00 0.00 H new ATOM 0 HG CYS A 10 77.592 6.767 -4.391 1.00 0.00 H new ATOM 162 N VAL A 11 72.934 4.228 -2.091 1.00 0.00 N ATOM 163 CA VAL A 11 71.471 3.945 -2.146 1.00 0.00 C ATOM 164 C VAL A 11 70.687 5.073 -1.469 1.00 0.00 C ATOM 165 O VAL A 11 71.109 5.622 -0.470 1.00 0.00 O ATOM 166 CB VAL A 11 71.291 2.633 -1.380 1.00 0.00 C ATOM 167 CG1 VAL A 11 72.345 1.624 -1.838 1.00 0.00 C ATOM 168 CG2 VAL A 11 71.452 2.892 0.121 1.00 0.00 C ATOM 0 H VAL A 11 73.246 4.745 -1.269 1.00 0.00 H new ATOM 0 HA VAL A 11 71.104 3.873 -3.170 1.00 0.00 H new ATOM 0 HB VAL A 11 70.296 2.233 -1.576 1.00 0.00 H new ATOM 0 HG11 VAL A 11 72.216 0.690 -1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 11 72.231 1.439 -2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 11 73.340 2.024 -1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 11 71.324 1.958 0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 11 72.447 3.293 0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 11 70.700 3.610 0.449 1.00 0.00 H new ATOM 178 N LYS A 12 69.548 5.418 -2.002 1.00 0.00 N ATOM 179 CA LYS A 12 68.737 6.506 -1.385 1.00 0.00 C ATOM 180 C LYS A 12 67.637 5.904 -0.505 1.00 0.00 C ATOM 181 O LYS A 12 66.556 5.600 -0.969 1.00 0.00 O ATOM 182 CB LYS A 12 68.123 7.263 -2.563 1.00 0.00 C ATOM 183 CG LYS A 12 69.234 7.738 -3.502 1.00 0.00 C ATOM 184 CD LYS A 12 69.956 8.935 -2.877 1.00 0.00 C ATOM 185 CE LYS A 12 71.084 9.391 -3.805 1.00 0.00 C ATOM 186 NZ LYS A 12 71.346 10.807 -3.425 1.00 0.00 N ATOM 0 H LYS A 12 69.144 4.995 -2.837 1.00 0.00 H new ATOM 0 HA LYS A 12 69.336 7.159 -0.750 1.00 0.00 H new ATOM 0 HB2 LYS A 12 67.429 6.617 -3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 12 67.549 8.116 -2.201 1.00 0.00 H new ATOM 0 HG2 LYS A 12 69.941 6.929 -3.685 1.00 0.00 H new ATOM 0 HG3 LYS A 12 68.813 8.018 -4.468 1.00 0.00 H new ATOM 0 HD2 LYS A 12 69.253 9.752 -2.712 1.00 0.00 H new ATOM 0 HD3 LYS A 12 70.360 8.661 -1.903 1.00 0.00 H new ATOM 0 HE2 LYS A 12 71.975 8.776 -3.675 1.00 0.00 H new ATOM 0 HE3 LYS A 12 70.791 9.311 -4.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 72.109 11.190 -4.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 70.483 11.369 -3.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 71.630 10.851 -2.425 1.00 0.00 H new ATOM 200 N LEU A 13 67.903 5.730 0.760 1.00 0.00 N ATOM 201 CA LEU A 13 66.871 5.146 1.663 1.00 0.00 C ATOM 202 C LEU A 13 65.757 6.163 1.928 1.00 0.00 C ATOM 203 O LEU A 13 65.765 6.864 2.920 1.00 0.00 O ATOM 204 CB LEU A 13 67.614 4.813 2.957 1.00 0.00 C ATOM 205 CG LEU A 13 67.423 3.332 3.287 1.00 0.00 C ATOM 206 CD1 LEU A 13 68.563 2.519 2.672 1.00 0.00 C ATOM 207 CD2 LEU A 13 67.427 3.145 4.806 1.00 0.00 C ATOM 0 H LEU A 13 68.789 5.966 1.207 1.00 0.00 H new ATOM 0 HA LEU A 13 66.397 4.266 1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 13 68.675 5.039 2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 13 67.239 5.430 3.774 1.00 0.00 H new ATOM 0 HG LEU A 13 66.472 2.989 2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 13 68.426 1.464 2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 13 68.562 2.652 1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 13 69.515 2.861 3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 13 67.291 2.090 5.043 1.00 0.00 H new ATOM 0 HD22 LEU A 13 68.378 3.488 5.212 1.00 0.00 H new ATOM 0 HD23 LEU A 13 66.615 3.723 5.246 1.00 0.00 H new ATOM 219 N ARG A 14 64.797 6.242 1.048 1.00 0.00 N ATOM 220 CA ARG A 14 63.676 7.206 1.241 1.00 0.00 C ATOM 221 C ARG A 14 62.641 6.609 2.200 1.00 0.00 C ATOM 222 O ARG A 14 62.592 5.413 2.405 1.00 0.00 O ATOM 223 CB ARG A 14 63.090 7.397 -0.164 1.00 0.00 C ATOM 224 CG ARG A 14 61.634 7.866 -0.079 1.00 0.00 C ATOM 225 CD ARG A 14 61.582 9.302 0.444 1.00 0.00 C ATOM 226 NE ARG A 14 60.231 9.436 1.058 1.00 0.00 N ATOM 227 CZ ARG A 14 59.628 10.594 1.067 1.00 0.00 C ATOM 228 NH1 ARG A 14 60.322 11.692 0.941 1.00 0.00 N ATOM 229 NH2 ARG A 14 58.331 10.654 1.200 1.00 0.00 N ATOM 0 H ARG A 14 64.740 5.678 0.200 1.00 0.00 H new ATOM 0 HA ARG A 14 63.994 8.153 1.677 1.00 0.00 H new ATOM 0 HB2 ARG A 14 63.682 8.128 -0.715 1.00 0.00 H new ATOM 0 HB3 ARG A 14 63.145 6.460 -0.718 1.00 0.00 H new ATOM 0 HG2 ARG A 14 61.166 7.810 -1.062 1.00 0.00 H new ATOM 0 HG3 ARG A 14 61.068 7.208 0.581 1.00 0.00 H new ATOM 0 HD2 ARG A 14 62.369 9.485 1.176 1.00 0.00 H new ATOM 0 HD3 ARG A 14 61.723 10.022 -0.362 1.00 0.00 H new ATOM 0 HE ARG A 14 59.777 8.622 1.472 1.00 0.00 H new ATOM 0 HH11 ARG A 14 61.335 11.645 0.835 1.00 0.00 H new ATOM 0 HH12 ARG A 14 59.851 12.597 0.948 1.00 0.00 H new ATOM 0 HH21 ARG A 14 57.788 9.796 1.297 1.00 0.00 H new ATOM 0 HH22 ARG A 14 57.860 11.559 1.207 1.00 0.00 H new ATOM 243 N ALA A 15 61.819 7.428 2.796 1.00 0.00 N ATOM 244 CA ALA A 15 60.799 6.888 3.740 1.00 0.00 C ATOM 245 C ALA A 15 59.476 7.640 3.590 1.00 0.00 C ATOM 246 O ALA A 15 59.427 8.852 3.668 1.00 0.00 O ATOM 247 CB ALA A 15 61.388 7.113 5.132 1.00 0.00 C ATOM 0 H ALA A 15 61.808 8.440 2.672 1.00 0.00 H new ATOM 0 HA ALA A 15 60.584 5.836 3.551 1.00 0.00 H new ATOM 0 HB1 ALA A 15 60.694 6.741 5.885 1.00 0.00 H new ATOM 0 HB2 ALA A 15 62.335 6.581 5.217 1.00 0.00 H new ATOM 0 HB3 ALA A 15 61.556 8.179 5.288 1.00 0.00 H new ATOM 253 N LEU A 16 58.402 6.929 3.379 1.00 0.00 N ATOM 254 CA LEU A 16 57.081 7.601 3.230 1.00 0.00 C ATOM 255 C LEU A 16 56.651 8.210 4.567 1.00 0.00 C ATOM 256 O LEU A 16 55.879 9.147 4.615 1.00 0.00 O ATOM 257 CB LEU A 16 56.117 6.492 2.810 1.00 0.00 C ATOM 258 CG LEU A 16 55.567 6.796 1.418 1.00 0.00 C ATOM 259 CD1 LEU A 16 54.965 5.525 0.815 1.00 0.00 C ATOM 260 CD2 LEU A 16 54.482 7.871 1.526 1.00 0.00 C ATOM 0 H LEU A 16 58.383 5.912 3.303 1.00 0.00 H new ATOM 0 HA LEU A 16 57.107 8.412 2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 16 56.631 5.531 2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 16 55.300 6.415 3.527 1.00 0.00 H new ATOM 0 HG LEU A 16 56.374 7.152 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 16 54.573 5.744 -0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 16 55.735 4.758 0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 16 54.157 5.167 1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 16 54.087 8.090 0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 16 53.676 7.512 2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 16 54.909 8.777 1.955 1.00 0.00 H new ATOM 272 N HIS A 17 57.149 7.683 5.652 1.00 0.00 N ATOM 273 CA HIS A 17 56.773 8.230 6.988 1.00 0.00 C ATOM 274 C HIS A 17 57.583 9.495 7.285 1.00 0.00 C ATOM 275 O HIS A 17 57.516 10.049 8.365 1.00 0.00 O ATOM 276 CB HIS A 17 57.123 7.123 7.981 1.00 0.00 C ATOM 277 CG HIS A 17 56.434 7.389 9.290 1.00 0.00 C ATOM 278 ND1 HIS A 17 56.720 6.665 10.437 1.00 0.00 N ATOM 279 CD2 HIS A 17 55.471 8.300 9.652 1.00 0.00 C ATOM 280 CE1 HIS A 17 55.944 7.147 11.424 1.00 0.00 C ATOM 281 NE2 HIS A 17 55.164 8.145 11.000 1.00 0.00 N ATOM 0 H HIS A 17 57.800 6.898 5.672 1.00 0.00 H new ATOM 0 HA HIS A 17 55.720 8.506 7.042 1.00 0.00 H new ATOM 0 HB2 HIS A 17 56.816 6.155 7.586 1.00 0.00 H new ATOM 0 HB3 HIS A 17 58.202 7.079 8.128 1.00 0.00 H new ATOM 0 HD2 HIS A 17 55.021 9.026 8.991 1.00 0.00 H new ATOM 0 HE1 HIS A 17 55.951 6.772 12.437 1.00 0.00 H new ATOM 0 HE2 HIS A 17 54.488 8.679 11.547 1.00 0.00 H new ATOM 289 N SER A 18 58.346 9.956 6.334 1.00 0.00 N ATOM 290 CA SER A 18 59.158 11.185 6.556 1.00 0.00 C ATOM 291 C SER A 18 59.365 11.922 5.232 1.00 0.00 C ATOM 292 O SER A 18 59.424 11.320 4.178 1.00 0.00 O ATOM 293 CB SER A 18 60.492 10.685 7.108 1.00 0.00 C ATOM 294 OG SER A 18 60.424 10.632 8.527 1.00 0.00 O ATOM 0 H SER A 18 58.443 9.534 5.410 1.00 0.00 H new ATOM 0 HA SER A 18 58.674 11.885 7.238 1.00 0.00 H new ATOM 0 HB2 SER A 18 60.717 9.697 6.706 1.00 0.00 H new ATOM 0 HB3 SER A 18 61.299 11.348 6.796 1.00 0.00 H new ATOM 0 HG SER A 18 59.498 10.472 8.804 1.00 0.00 H new ATOM 300 N ALA A 19 59.472 13.220 5.276 1.00 0.00 N ATOM 301 CA ALA A 19 59.671 13.992 4.017 1.00 0.00 C ATOM 302 C ALA A 19 61.155 14.028 3.642 1.00 0.00 C ATOM 303 O ALA A 19 61.732 15.081 3.456 1.00 0.00 O ATOM 304 CB ALA A 19 59.164 15.400 4.334 1.00 0.00 C ATOM 0 H ALA A 19 59.430 13.780 6.128 1.00 0.00 H new ATOM 0 HA ALA A 19 59.144 13.547 3.173 1.00 0.00 H new ATOM 0 HB1 ALA A 19 59.276 16.034 3.454 1.00 0.00 H new ATOM 0 HB2 ALA A 19 58.112 15.353 4.616 1.00 0.00 H new ATOM 0 HB3 ALA A 19 59.742 15.818 5.158 1.00 0.00 H new ATOM 310 N CYS A 20 61.779 12.886 3.528 1.00 0.00 N ATOM 311 CA CYS A 20 63.225 12.865 3.162 1.00 0.00 C ATOM 312 C CYS A 20 63.707 11.429 2.932 1.00 0.00 C ATOM 313 O CYS A 20 62.931 10.490 2.919 1.00 0.00 O ATOM 314 CB CYS A 20 63.945 13.484 4.362 1.00 0.00 C ATOM 315 SG CYS A 20 63.758 12.404 5.801 1.00 0.00 S ATOM 0 H CYS A 20 61.352 11.971 3.672 1.00 0.00 H new ATOM 0 HA CYS A 20 63.419 13.410 2.238 1.00 0.00 H new ATOM 0 HB2 CYS A 20 65.002 13.623 4.133 1.00 0.00 H new ATOM 0 HB3 CYS A 20 63.533 14.470 4.578 1.00 0.00 H new ATOM 0 HG CYS A 20 64.372 12.929 6.820 1.00 0.00 H new ATOM 321 N LYS A 21 64.988 11.257 2.750 1.00 0.00 N ATOM 322 CA LYS A 21 65.542 9.892 2.518 1.00 0.00 C ATOM 323 C LYS A 21 66.935 9.782 3.140 1.00 0.00 C ATOM 324 O LYS A 21 67.302 10.555 4.003 1.00 0.00 O ATOM 325 CB LYS A 21 65.615 9.746 0.997 1.00 0.00 C ATOM 326 CG LYS A 21 66.579 10.788 0.428 1.00 0.00 C ATOM 327 CD LYS A 21 65.793 11.833 -0.366 1.00 0.00 C ATOM 328 CE LYS A 21 65.475 11.285 -1.760 1.00 0.00 C ATOM 329 NZ LYS A 21 63.991 11.182 -1.804 1.00 0.00 N ATOM 0 H LYS A 21 65.679 12.008 2.752 1.00 0.00 H new ATOM 0 HA LYS A 21 64.929 9.111 2.969 1.00 0.00 H new ATOM 0 HB2 LYS A 21 65.951 8.743 0.733 1.00 0.00 H new ATOM 0 HB3 LYS A 21 64.624 9.876 0.561 1.00 0.00 H new ATOM 0 HG2 LYS A 21 67.130 11.269 1.237 1.00 0.00 H new ATOM 0 HG3 LYS A 21 67.315 10.305 -0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 21 64.870 12.083 0.157 1.00 0.00 H new ATOM 0 HD3 LYS A 21 66.372 12.753 -0.449 1.00 0.00 H new ATOM 0 HE2 LYS A 21 65.848 11.949 -2.540 1.00 0.00 H new ATOM 0 HE3 LYS A 21 65.943 10.313 -1.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 63.676 11.130 -2.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 63.687 10.326 -1.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 63.571 12.019 -1.351 1.00 0.00 H new ATOM 343 N PHE A 22 67.716 8.828 2.713 1.00 0.00 N ATOM 344 CA PHE A 22 69.082 8.676 3.291 1.00 0.00 C ATOM 345 C PHE A 22 70.059 8.140 2.239 1.00 0.00 C ATOM 346 O PHE A 22 70.390 6.972 2.227 1.00 0.00 O ATOM 347 CB PHE A 22 68.920 7.668 4.430 1.00 0.00 C ATOM 348 CG PHE A 22 70.229 7.530 5.170 1.00 0.00 C ATOM 349 CD1 PHE A 22 70.982 8.670 5.476 1.00 0.00 C ATOM 350 CD2 PHE A 22 70.691 6.264 5.550 1.00 0.00 C ATOM 351 CE1 PHE A 22 72.196 8.545 6.162 1.00 0.00 C ATOM 352 CE2 PHE A 22 71.906 6.139 6.235 1.00 0.00 C ATOM 353 CZ PHE A 22 72.658 7.279 6.542 1.00 0.00 C ATOM 0 H PHE A 22 67.469 8.150 1.992 1.00 0.00 H new ATOM 0 HA PHE A 22 69.486 9.628 3.637 1.00 0.00 H new ATOM 0 HB2 PHE A 22 68.137 7.998 5.113 1.00 0.00 H new ATOM 0 HB3 PHE A 22 68.611 6.701 4.033 1.00 0.00 H new ATOM 0 HD1 PHE A 22 70.626 9.647 5.183 1.00 0.00 H new ATOM 0 HD2 PHE A 22 70.110 5.384 5.315 1.00 0.00 H new ATOM 0 HE1 PHE A 22 72.776 9.425 6.398 1.00 0.00 H new ATOM 0 HE2 PHE A 22 72.263 5.162 6.527 1.00 0.00 H new ATOM 0 HZ PHE A 22 73.594 7.182 7.072 1.00 0.00 H new ATOM 363 N GLY A 23 70.531 8.987 1.365 1.00 0.00 N ATOM 364 CA GLY A 23 71.495 8.521 0.327 1.00 0.00 C ATOM 365 C GLY A 23 72.763 8.014 1.016 1.00 0.00 C ATOM 366 O GLY A 23 73.749 8.716 1.116 1.00 0.00 O ATOM 0 H GLY A 23 70.292 9.978 1.324 1.00 0.00 H new ATOM 0 HA2 GLY A 23 71.049 7.727 -0.272 1.00 0.00 H new ATOM 0 HA3 GLY A 23 71.737 9.336 -0.355 1.00 0.00 H new ATOM 370 N VAL A 24 72.740 6.804 1.502 1.00 0.00 N ATOM 371 CA VAL A 24 73.940 6.253 2.197 1.00 0.00 C ATOM 372 C VAL A 24 74.817 5.461 1.220 1.00 0.00 C ATOM 373 O VAL A 24 74.328 4.804 0.324 1.00 0.00 O ATOM 374 CB VAL A 24 73.375 5.337 3.286 1.00 0.00 C ATOM 375 CG1 VAL A 24 72.896 4.021 2.663 1.00 0.00 C ATOM 376 CG2 VAL A 24 74.464 5.045 4.320 1.00 0.00 C ATOM 0 H VAL A 24 71.942 6.171 1.448 1.00 0.00 H new ATOM 0 HA VAL A 24 74.573 7.038 2.610 1.00 0.00 H new ATOM 0 HB VAL A 24 72.533 5.831 3.770 1.00 0.00 H new ATOM 0 HG11 VAL A 24 72.495 3.374 3.443 1.00 0.00 H new ATOM 0 HG12 VAL A 24 72.118 4.228 1.928 1.00 0.00 H new ATOM 0 HG13 VAL A 24 73.734 3.524 2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 24 74.063 4.393 5.096 1.00 0.00 H new ATOM 0 HG22 VAL A 24 75.306 4.554 3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 24 74.799 5.980 4.769 1.00 0.00 H new ATOM 386 N ALA A 25 76.112 5.516 1.395 1.00 0.00 N ATOM 387 CA ALA A 25 77.024 4.764 0.486 1.00 0.00 C ATOM 388 C ALA A 25 77.917 3.823 1.299 1.00 0.00 C ATOM 389 O ALA A 25 78.179 4.053 2.464 1.00 0.00 O ATOM 390 CB ALA A 25 77.868 5.831 -0.210 1.00 0.00 C ATOM 0 H ALA A 25 76.577 6.050 2.129 1.00 0.00 H new ATOM 0 HA ALA A 25 76.477 4.150 -0.229 1.00 0.00 H new ATOM 0 HB1 ALA A 25 78.565 5.352 -0.897 1.00 0.00 H new ATOM 0 HB2 ALA A 25 77.216 6.505 -0.766 1.00 0.00 H new ATOM 0 HB3 ALA A 25 78.425 6.398 0.536 1.00 0.00 H new ATOM 396 N ALA A 26 78.386 2.763 0.698 1.00 0.00 N ATOM 397 CA ALA A 26 79.260 1.809 1.442 1.00 0.00 C ATOM 398 C ALA A 26 79.739 0.692 0.511 1.00 0.00 C ATOM 399 O ALA A 26 78.959 0.072 -0.183 1.00 0.00 O ATOM 400 CB ALA A 26 78.370 1.245 2.550 1.00 0.00 C ATOM 0 H ALA A 26 78.203 2.516 -0.274 1.00 0.00 H new ATOM 0 HA ALA A 26 80.153 2.289 1.841 1.00 0.00 H new ATOM 0 HB1 ALA A 26 78.939 0.532 3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 26 78.025 2.058 3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 26 77.511 0.743 2.106 1.00 0.00 H new ATOM 406 N ARG A 27 81.019 0.429 0.493 1.00 0.00 N ATOM 407 CA ARG A 27 81.546 -0.650 -0.393 1.00 0.00 C ATOM 408 C ARG A 27 80.671 -1.901 -0.283 1.00 0.00 C ATOM 409 O ARG A 27 80.143 -2.389 -1.263 1.00 0.00 O ATOM 410 CB ARG A 27 82.957 -0.935 0.123 1.00 0.00 C ATOM 411 CG ARG A 27 83.916 -1.065 -1.061 1.00 0.00 C ATOM 412 CD ARG A 27 85.187 -0.260 -0.782 1.00 0.00 C ATOM 413 NE ARG A 27 85.692 -0.779 0.520 1.00 0.00 N ATOM 414 CZ ARG A 27 86.556 -0.084 1.209 1.00 0.00 C ATOM 415 NH1 ARG A 27 87.247 0.859 0.629 1.00 0.00 N ATOM 416 NH2 ARG A 27 86.728 -0.332 2.478 1.00 0.00 N ATOM 0 H ARG A 27 81.721 0.914 1.052 1.00 0.00 H new ATOM 0 HA ARG A 27 81.548 -0.356 -1.443 1.00 0.00 H new ATOM 0 HB2 ARG A 27 83.284 -0.131 0.783 1.00 0.00 H new ATOM 0 HB3 ARG A 27 82.962 -1.853 0.711 1.00 0.00 H new ATOM 0 HG2 ARG A 27 84.166 -2.113 -1.226 1.00 0.00 H new ATOM 0 HG3 ARG A 27 83.437 -0.704 -1.971 1.00 0.00 H new ATOM 0 HD2 ARG A 27 85.923 -0.397 -1.574 1.00 0.00 H new ATOM 0 HD3 ARG A 27 84.974 0.808 -0.726 1.00 0.00 H new ATOM 0 HE ARG A 27 85.363 -1.677 0.873 1.00 0.00 H new ATOM 0 HH11 ARG A 27 87.112 1.053 -0.363 1.00 0.00 H new ATOM 0 HH12 ARG A 27 87.922 1.402 1.168 1.00 0.00 H new ATOM 0 HH21 ARG A 27 86.188 -1.069 2.932 1.00 0.00 H new ATOM 0 HH22 ARG A 27 87.403 0.211 3.017 1.00 0.00 H new ATOM 430 N SER A 28 80.515 -2.424 0.902 1.00 0.00 N ATOM 431 CA SER A 28 79.673 -3.642 1.073 1.00 0.00 C ATOM 432 C SER A 28 78.195 -3.254 1.155 1.00 0.00 C ATOM 433 O SER A 28 77.702 -2.877 2.200 1.00 0.00 O ATOM 434 CB SER A 28 80.139 -4.262 2.390 1.00 0.00 C ATOM 435 OG SER A 28 80.461 -3.225 3.307 1.00 0.00 O ATOM 0 H SER A 28 80.934 -2.061 1.759 1.00 0.00 H new ATOM 0 HA SER A 28 79.773 -4.336 0.238 1.00 0.00 H new ATOM 0 HB2 SER A 28 79.357 -4.899 2.803 1.00 0.00 H new ATOM 0 HB3 SER A 28 81.009 -4.896 2.219 1.00 0.00 H new ATOM 0 HG SER A 28 80.147 -3.471 4.202 1.00 0.00 H new ATOM 441 N CYS A 29 77.487 -3.339 0.061 1.00 0.00 N ATOM 442 CA CYS A 29 76.041 -2.973 0.078 1.00 0.00 C ATOM 443 C CYS A 29 75.374 -3.517 1.344 1.00 0.00 C ATOM 444 O CYS A 29 74.426 -2.951 1.851 1.00 0.00 O ATOM 445 CB CYS A 29 75.447 -3.633 -1.166 1.00 0.00 C ATOM 446 SG CYS A 29 75.546 -5.434 -1.000 1.00 0.00 S ATOM 0 H CYS A 29 77.847 -3.646 -0.843 1.00 0.00 H new ATOM 0 HA CYS A 29 75.889 -1.894 0.076 1.00 0.00 H new ATOM 0 HB2 CYS A 29 74.409 -3.325 -1.293 1.00 0.00 H new ATOM 0 HB3 CYS A 29 75.987 -3.309 -2.056 1.00 0.00 H new ATOM 0 HG CYS A 29 76.330 -5.736 -0.008 1.00 0.00 H new ATOM 452 N GLN A 30 75.867 -4.609 1.862 1.00 0.00 N ATOM 453 CA GLN A 30 75.263 -5.183 3.097 1.00 0.00 C ATOM 454 C GLN A 30 75.272 -4.140 4.218 1.00 0.00 C ATOM 455 O GLN A 30 74.483 -4.198 5.141 1.00 0.00 O ATOM 456 CB GLN A 30 76.157 -6.369 3.461 1.00 0.00 C ATOM 457 CG GLN A 30 75.434 -7.674 3.123 1.00 0.00 C ATOM 458 CD GLN A 30 75.643 -8.008 1.646 1.00 0.00 C ATOM 459 OE1 GLN A 30 76.308 -7.281 0.934 1.00 0.00 O ATOM 460 NE2 GLN A 30 75.099 -9.085 1.149 1.00 0.00 N ATOM 0 H GLN A 30 76.660 -5.127 1.484 1.00 0.00 H new ATOM 0 HA GLN A 30 74.226 -5.486 2.950 1.00 0.00 H new ATOM 0 HB2 GLN A 30 77.098 -6.310 2.915 1.00 0.00 H new ATOM 0 HB3 GLN A 30 76.402 -6.341 4.523 1.00 0.00 H new ATOM 0 HG2 GLN A 30 75.813 -8.484 3.747 1.00 0.00 H new ATOM 0 HG3 GLN A 30 74.370 -7.578 3.338 1.00 0.00 H new ATOM 0 HE21 GLN A 30 74.541 -9.696 1.745 1.00 0.00 H new ATOM 0 HE22 GLN A 30 75.232 -9.316 0.164 1.00 0.00 H new ATOM 469 N GLU A 31 76.159 -3.185 4.145 1.00 0.00 N ATOM 470 CA GLU A 31 76.219 -2.141 5.208 1.00 0.00 C ATOM 471 C GLU A 31 75.053 -1.163 5.060 1.00 0.00 C ATOM 472 O GLU A 31 74.389 -0.825 6.019 1.00 0.00 O ATOM 473 CB GLU A 31 77.552 -1.423 4.990 1.00 0.00 C ATOM 474 CG GLU A 31 78.266 -1.254 6.333 1.00 0.00 C ATOM 475 CD GLU A 31 79.183 -2.453 6.579 1.00 0.00 C ATOM 476 OE1 GLU A 31 80.262 -2.475 6.009 1.00 0.00 O ATOM 477 OE2 GLU A 31 78.792 -3.328 7.334 1.00 0.00 O ATOM 0 H GLU A 31 76.844 -3.082 3.396 1.00 0.00 H new ATOM 0 HA GLU A 31 76.147 -2.570 6.207 1.00 0.00 H new ATOM 0 HB2 GLU A 31 78.177 -1.994 4.303 1.00 0.00 H new ATOM 0 HB3 GLU A 31 77.382 -0.449 4.531 1.00 0.00 H new ATOM 0 HG2 GLU A 31 78.847 -0.332 6.334 1.00 0.00 H new ATOM 0 HG3 GLU A 31 77.535 -1.171 7.137 1.00 0.00 H new ATOM 484 N LEU A 32 74.799 -0.705 3.867 1.00 0.00 N ATOM 485 CA LEU A 32 73.674 0.254 3.661 1.00 0.00 C ATOM 486 C LEU A 32 72.346 -0.401 4.051 1.00 0.00 C ATOM 487 O LEU A 32 71.482 0.224 4.632 1.00 0.00 O ATOM 488 CB LEU A 32 73.685 0.581 2.168 1.00 0.00 C ATOM 489 CG LEU A 32 75.046 1.151 1.773 1.00 0.00 C ATOM 490 CD1 LEU A 32 74.953 1.778 0.381 1.00 0.00 C ATOM 491 CD2 LEU A 32 75.471 2.218 2.786 1.00 0.00 C ATOM 0 H LEU A 32 75.320 -0.952 3.025 1.00 0.00 H new ATOM 0 HA LEU A 32 73.785 1.150 4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 32 73.475 -0.318 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 32 72.899 1.300 1.938 1.00 0.00 H new ATOM 0 HG LEU A 32 75.784 0.349 1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 32 75.924 2.185 0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 32 74.655 1.018 -0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 32 74.214 2.579 0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 32 76.442 2.623 2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 32 74.733 3.020 2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 32 75.540 1.771 3.778 1.00 0.00 H new ATOM 503 N LEU A 33 72.176 -1.653 3.730 1.00 0.00 N ATOM 504 CA LEU A 33 70.902 -2.346 4.078 1.00 0.00 C ATOM 505 C LEU A 33 70.731 -2.398 5.599 1.00 0.00 C ATOM 506 O LEU A 33 69.766 -1.896 6.141 1.00 0.00 O ATOM 507 CB LEU A 33 71.047 -3.754 3.501 1.00 0.00 C ATOM 508 CG LEU A 33 71.323 -3.663 1.999 1.00 0.00 C ATOM 509 CD1 LEU A 33 71.205 -5.052 1.372 1.00 0.00 C ATOM 510 CD2 LEU A 33 70.304 -2.724 1.349 1.00 0.00 C ATOM 0 H LEU A 33 72.863 -2.227 3.242 1.00 0.00 H new ATOM 0 HA LEU A 33 70.027 -1.833 3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 33 71.860 -4.281 4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 33 70.138 -4.328 3.681 1.00 0.00 H new ATOM 0 HG LEU A 33 72.329 -3.276 1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 33 71.402 -4.986 0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 33 71.930 -5.722 1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.199 -5.439 1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.500 -2.659 0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 33 69.298 -3.111 1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 33 70.387 -1.733 1.794 1.00 0.00 H new ATOM 522 N ARG A 34 71.661 -2.995 6.293 1.00 0.00 N ATOM 523 CA ARG A 34 71.546 -3.069 7.778 1.00 0.00 C ATOM 524 C ARG A 34 71.485 -1.659 8.365 1.00 0.00 C ATOM 525 O ARG A 34 70.454 -1.212 8.827 1.00 0.00 O ATOM 526 CB ARG A 34 72.812 -3.791 8.239 1.00 0.00 C ATOM 527 CG ARG A 34 72.566 -5.301 8.244 1.00 0.00 C ATOM 528 CD ARG A 34 71.552 -5.648 9.337 1.00 0.00 C ATOM 529 NE ARG A 34 72.070 -6.900 9.956 1.00 0.00 N ATOM 530 CZ ARG A 34 71.657 -7.263 11.139 1.00 0.00 C ATOM 531 NH1 ARG A 34 70.594 -6.711 11.658 1.00 0.00 N ATOM 532 NH2 ARG A 34 72.306 -8.179 11.805 1.00 0.00 N ATOM 0 H ARG A 34 72.493 -3.433 5.898 1.00 0.00 H new ATOM 0 HA ARG A 34 70.644 -3.590 8.101 1.00 0.00 H new ATOM 0 HB2 ARG A 34 73.643 -3.550 7.576 1.00 0.00 H new ATOM 0 HB3 ARG A 34 73.092 -3.454 9.237 1.00 0.00 H new ATOM 0 HG2 ARG A 34 72.193 -5.623 7.272 1.00 0.00 H new ATOM 0 HG3 ARG A 34 73.502 -5.832 8.419 1.00 0.00 H new ATOM 0 HD2 ARG A 34 71.474 -4.847 10.072 1.00 0.00 H new ATOM 0 HD3 ARG A 34 70.556 -5.796 8.920 1.00 0.00 H new ATOM 0 HE ARG A 34 72.748 -7.474 9.455 1.00 0.00 H new ATOM 0 HH11 ARG A 34 70.086 -5.995 11.138 1.00 0.00 H new ATOM 0 HH12 ARG A 34 70.272 -6.995 12.583 1.00 0.00 H new ATOM 0 HH21 ARG A 34 73.137 -8.611 11.401 1.00 0.00 H new ATOM 0 HH22 ARG A 34 71.983 -8.462 12.730 1.00 0.00 H new ATOM 546 N LYS A 35 72.580 -0.957 8.344 1.00 0.00 N ATOM 547 CA LYS A 35 72.589 0.429 8.894 1.00 0.00 C ATOM 548 C LYS A 35 71.329 1.173 8.447 1.00 0.00 C ATOM 549 O LYS A 35 70.787 1.986 9.169 1.00 0.00 O ATOM 550 CB LYS A 35 73.836 1.083 8.301 1.00 0.00 C ATOM 551 CG LYS A 35 75.084 0.403 8.866 1.00 0.00 C ATOM 552 CD LYS A 35 76.321 0.895 8.112 1.00 0.00 C ATOM 553 CE LYS A 35 76.296 2.423 8.034 1.00 0.00 C ATOM 554 NZ LYS A 35 77.728 2.826 7.954 1.00 0.00 N ATOM 0 H LYS A 35 73.472 -1.281 7.970 1.00 0.00 H new ATOM 0 HA LYS A 35 72.603 0.445 9.984 1.00 0.00 H new ATOM 0 HB2 LYS A 35 73.823 0.998 7.214 1.00 0.00 H new ATOM 0 HB3 LYS A 35 73.850 2.147 8.538 1.00 0.00 H new ATOM 0 HG2 LYS A 35 75.181 0.624 9.929 1.00 0.00 H new ATOM 0 HG3 LYS A 35 74.995 -0.679 8.772 1.00 0.00 H new ATOM 0 HD2 LYS A 35 77.226 0.561 8.619 1.00 0.00 H new ATOM 0 HD3 LYS A 35 76.342 0.469 7.109 1.00 0.00 H new ATOM 0 HE2 LYS A 35 75.740 2.765 7.161 1.00 0.00 H new ATOM 0 HE3 LYS A 35 75.812 2.855 8.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 77.794 3.862 7.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 78.230 2.492 8.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 78.160 2.405 7.107 1.00 0.00 H new ATOM 568 N GLY A 36 70.855 0.893 7.265 1.00 0.00 N ATOM 569 CA GLY A 36 69.627 1.575 6.774 1.00 0.00 C ATOM 570 C GLY A 36 68.448 1.190 7.665 1.00 0.00 C ATOM 571 O GLY A 36 67.767 2.036 8.211 1.00 0.00 O ATOM 0 H GLY A 36 71.266 0.220 6.618 1.00 0.00 H new ATOM 0 HA2 GLY A 36 69.768 2.656 6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 36 69.426 1.289 5.741 1.00 0.00 H new ATOM 575 N CYS A 37 68.202 -0.083 7.826 1.00 0.00 N ATOM 576 CA CYS A 37 67.069 -0.514 8.690 1.00 0.00 C ATOM 577 C CYS A 37 67.295 -0.030 10.124 1.00 0.00 C ATOM 578 O CYS A 37 66.400 -0.047 10.945 1.00 0.00 O ATOM 579 CB CYS A 37 67.074 -2.040 8.635 1.00 0.00 C ATOM 580 SG CYS A 37 65.661 -2.675 9.571 1.00 0.00 S ATOM 0 H CYS A 37 68.736 -0.839 7.397 1.00 0.00 H new ATOM 0 HA CYS A 37 66.117 -0.103 8.355 1.00 0.00 H new ATOM 0 HB2 CYS A 37 67.022 -2.379 7.600 1.00 0.00 H new ATOM 0 HB3 CYS A 37 68.004 -2.428 9.050 1.00 0.00 H new ATOM 0 HG CYS A 37 64.876 -3.338 8.775 1.00 0.00 H new ATOM 586 N VAL A 38 68.487 0.405 10.427 1.00 0.00 N ATOM 587 CA VAL A 38 68.772 0.896 11.804 1.00 0.00 C ATOM 588 C VAL A 38 68.429 2.383 11.902 1.00 0.00 C ATOM 589 O VAL A 38 67.725 2.811 12.795 1.00 0.00 O ATOM 590 CB VAL A 38 70.271 0.671 12.003 1.00 0.00 C ATOM 591 CG1 VAL A 38 70.755 1.475 13.211 1.00 0.00 C ATOM 592 CG2 VAL A 38 70.533 -0.818 12.245 1.00 0.00 C ATOM 0 H VAL A 38 69.275 0.442 9.781 1.00 0.00 H new ATOM 0 HA VAL A 38 68.184 0.380 12.564 1.00 0.00 H new ATOM 0 HB VAL A 38 70.808 0.997 11.112 1.00 0.00 H new ATOM 0 HG11 VAL A 38 71.824 1.313 13.351 1.00 0.00 H new ATOM 0 HG12 VAL A 38 70.568 2.535 13.041 1.00 0.00 H new ATOM 0 HG13 VAL A 38 70.219 1.150 14.103 1.00 0.00 H new ATOM 0 HG21 VAL A 38 71.601 -0.981 12.387 1.00 0.00 H new ATOM 0 HG22 VAL A 38 69.995 -1.142 13.136 1.00 0.00 H new ATOM 0 HG23 VAL A 38 70.190 -1.392 11.385 1.00 0.00 H new ATOM 602 N ARG A 39 68.910 3.174 10.981 1.00 0.00 N ATOM 603 CA ARG A 39 68.598 4.630 11.016 1.00 0.00 C ATOM 604 C ARG A 39 67.120 4.845 10.680 1.00 0.00 C ATOM 605 O ARG A 39 66.516 5.823 11.076 1.00 0.00 O ATOM 606 CB ARG A 39 69.494 5.257 9.947 1.00 0.00 C ATOM 607 CG ARG A 39 70.633 6.023 10.622 1.00 0.00 C ATOM 608 CD ARG A 39 70.052 7.027 11.621 1.00 0.00 C ATOM 609 NE ARG A 39 70.508 6.550 12.956 1.00 0.00 N ATOM 610 CZ ARG A 39 70.380 7.318 14.003 1.00 0.00 C ATOM 611 NH1 ARG A 39 69.235 7.388 14.626 1.00 0.00 N ATOM 612 NH2 ARG A 39 71.398 8.016 14.427 1.00 0.00 N ATOM 0 H ARG A 39 69.504 2.875 10.208 1.00 0.00 H new ATOM 0 HA ARG A 39 68.775 5.074 11.996 1.00 0.00 H new ATOM 0 HB2 ARG A 39 69.898 4.482 9.296 1.00 0.00 H new ATOM 0 HB3 ARG A 39 68.911 5.930 9.318 1.00 0.00 H new ATOM 0 HG2 ARG A 39 71.299 5.329 11.134 1.00 0.00 H new ATOM 0 HG3 ARG A 39 71.230 6.543 9.873 1.00 0.00 H new ATOM 0 HD2 ARG A 39 70.410 8.037 11.419 1.00 0.00 H new ATOM 0 HD3 ARG A 39 68.964 7.057 11.563 1.00 0.00 H new ATOM 0 HE ARG A 39 70.921 5.622 13.052 1.00 0.00 H new ATOM 0 HH11 ARG A 39 68.440 6.842 14.294 1.00 0.00 H new ATOM 0 HH12 ARG A 39 69.136 7.989 15.444 1.00 0.00 H new ATOM 0 HH21 ARG A 39 72.293 7.961 13.940 1.00 0.00 H new ATOM 0 HH22 ARG A 39 71.299 8.617 15.245 1.00 0.00 H new ATOM 626 N PHE A 40 66.534 3.930 9.956 1.00 0.00 N ATOM 627 CA PHE A 40 65.095 4.065 9.596 1.00 0.00 C ATOM 628 C PHE A 40 64.242 3.201 10.530 1.00 0.00 C ATOM 629 O PHE A 40 63.050 3.401 10.664 1.00 0.00 O ATOM 630 CB PHE A 40 64.995 3.561 8.155 1.00 0.00 C ATOM 631 CG PHE A 40 65.096 4.732 7.206 1.00 0.00 C ATOM 632 CD1 PHE A 40 65.902 5.829 7.532 1.00 0.00 C ATOM 633 CD2 PHE A 40 64.381 4.721 6.003 1.00 0.00 C ATOM 634 CE1 PHE A 40 65.994 6.916 6.655 1.00 0.00 C ATOM 635 CE2 PHE A 40 64.473 5.809 5.126 1.00 0.00 C ATOM 636 CZ PHE A 40 65.279 6.906 5.452 1.00 0.00 C ATOM 0 H PHE A 40 66.992 3.092 9.598 1.00 0.00 H new ATOM 0 HA PHE A 40 64.737 5.090 9.690 1.00 0.00 H new ATOM 0 HB2 PHE A 40 65.791 2.845 7.952 1.00 0.00 H new ATOM 0 HB3 PHE A 40 64.050 3.038 8.006 1.00 0.00 H new ATOM 0 HD1 PHE A 40 66.453 5.837 8.461 1.00 0.00 H new ATOM 0 HD2 PHE A 40 63.759 3.875 5.751 1.00 0.00 H new ATOM 0 HE1 PHE A 40 66.616 7.762 6.907 1.00 0.00 H new ATOM 0 HE2 PHE A 40 63.922 5.802 4.197 1.00 0.00 H new ATOM 0 HZ PHE A 40 65.349 7.745 4.775 1.00 0.00 H new ATOM 646 N GLN A 41 64.848 2.245 11.179 1.00 0.00 N ATOM 647 CA GLN A 41 64.081 1.366 12.110 1.00 0.00 C ATOM 648 C GLN A 41 62.978 0.617 11.356 1.00 0.00 C ATOM 649 O GLN A 41 61.834 1.027 11.347 1.00 0.00 O ATOM 650 CB GLN A 41 63.475 2.315 13.142 1.00 0.00 C ATOM 651 CG GLN A 41 64.292 2.254 14.434 1.00 0.00 C ATOM 652 CD GLN A 41 64.824 3.649 14.768 1.00 0.00 C ATOM 653 OE1 GLN A 41 64.851 4.042 15.918 1.00 0.00 O ATOM 654 NE2 GLN A 41 65.252 4.419 13.806 1.00 0.00 N ATOM 0 H GLN A 41 65.843 2.033 11.105 1.00 0.00 H new ATOM 0 HA GLN A 41 64.714 0.609 12.572 1.00 0.00 H new ATOM 0 HB2 GLN A 41 63.465 3.333 12.753 1.00 0.00 H new ATOM 0 HB3 GLN A 41 62.439 2.040 13.341 1.00 0.00 H new ATOM 0 HG2 GLN A 41 63.673 1.884 15.251 1.00 0.00 H new ATOM 0 HG3 GLN A 41 65.120 1.555 14.320 1.00 0.00 H new ATOM 0 HE21 GLN A 41 65.230 4.090 12.841 1.00 0.00 H new ATOM 0 HE22 GLN A 41 65.609 5.350 14.019 1.00 0.00 H new ATOM 663 N LEU A 42 63.308 -0.479 10.730 1.00 0.00 N ATOM 664 CA LEU A 42 62.273 -1.252 9.986 1.00 0.00 C ATOM 665 C LEU A 42 62.250 -2.702 10.476 1.00 0.00 C ATOM 666 O LEU A 42 63.106 -3.490 10.124 1.00 0.00 O ATOM 667 CB LEU A 42 62.701 -1.184 8.520 1.00 0.00 C ATOM 668 CG LEU A 42 61.472 -1.337 7.621 1.00 0.00 C ATOM 669 CD1 LEU A 42 60.784 -2.668 7.918 1.00 0.00 C ATOM 670 CD2 LEU A 42 60.496 -0.189 7.891 1.00 0.00 C ATOM 0 H LEU A 42 64.249 -0.873 10.701 1.00 0.00 H new ATOM 0 HA LEU A 42 61.270 -0.850 10.132 1.00 0.00 H new ATOM 0 HB2 LEU A 42 63.196 -0.234 8.318 1.00 0.00 H new ATOM 0 HB3 LEU A 42 63.423 -1.972 8.304 1.00 0.00 H new ATOM 0 HG LEU A 42 61.783 -1.314 6.576 1.00 0.00 H new ATOM 0 HD11 LEU A 42 59.909 -2.776 7.277 1.00 0.00 H new ATOM 0 HD12 LEU A 42 61.477 -3.487 7.726 1.00 0.00 H new ATOM 0 HD13 LEU A 42 60.474 -2.692 8.963 1.00 0.00 H new ATOM 0 HD21 LEU A 42 59.620 -0.298 7.251 1.00 0.00 H new ATOM 0 HD22 LEU A 42 60.187 -0.213 8.936 1.00 0.00 H new ATOM 0 HD23 LEU A 42 60.985 0.762 7.679 1.00 0.00 H new ATOM 682 N PRO A 43 61.269 -3.004 11.279 1.00 0.00 N ATOM 683 CA PRO A 43 61.130 -4.373 11.832 1.00 0.00 C ATOM 684 C PRO A 43 60.688 -5.350 10.741 1.00 0.00 C ATOM 685 O PRO A 43 60.098 -4.966 9.751 1.00 0.00 O ATOM 686 CB PRO A 43 60.050 -4.220 12.899 1.00 0.00 C ATOM 687 CG PRO A 43 59.258 -3.025 12.478 1.00 0.00 C ATOM 688 CD PRO A 43 60.202 -2.110 11.741 1.00 0.00 C ATOM 0 HA PRO A 43 62.063 -4.770 12.232 1.00 0.00 H new ATOM 0 HB2 PRO A 43 59.422 -5.109 12.956 1.00 0.00 H new ATOM 0 HB3 PRO A 43 60.488 -4.075 13.886 1.00 0.00 H new ATOM 0 HG2 PRO A 43 58.427 -3.319 11.837 1.00 0.00 H new ATOM 0 HG3 PRO A 43 58.830 -2.521 13.344 1.00 0.00 H new ATOM 0 HD2 PRO A 43 59.707 -1.613 10.906 1.00 0.00 H new ATOM 0 HD3 PRO A 43 60.590 -1.327 12.393 1.00 0.00 H new ATOM 734 N SER A 47 55.916 -4.907 8.932 1.00 0.00 N ATOM 735 CA SER A 47 56.724 -3.850 8.258 1.00 0.00 C ATOM 736 C SER A 47 57.128 -4.314 6.857 1.00 0.00 C ATOM 737 O SER A 47 56.871 -5.437 6.471 1.00 0.00 O ATOM 738 CB SER A 47 57.957 -3.678 9.142 1.00 0.00 C ATOM 739 OG SER A 47 57.937 -2.384 9.729 1.00 0.00 O ATOM 0 HA SER A 47 56.174 -2.917 8.138 1.00 0.00 H new ATOM 0 HB2 SER A 47 57.971 -4.442 9.919 1.00 0.00 H new ATOM 0 HB3 SER A 47 58.864 -3.808 8.551 1.00 0.00 H new ATOM 0 HG SER A 47 57.019 -2.155 9.985 1.00 0.00 H new ATOM 745 N ARG A 48 57.758 -3.466 6.085 1.00 0.00 N ATOM 746 CA ARG A 48 58.164 -3.885 4.716 1.00 0.00 C ATOM 747 C ARG A 48 58.754 -2.708 3.936 1.00 0.00 C ATOM 748 O ARG A 48 58.354 -1.572 4.101 1.00 0.00 O ATOM 749 CB ARG A 48 56.873 -4.367 4.058 1.00 0.00 C ATOM 750 CG ARG A 48 56.957 -5.873 3.820 1.00 0.00 C ATOM 751 CD ARG A 48 56.842 -6.157 2.321 1.00 0.00 C ATOM 752 NE ARG A 48 55.457 -5.747 1.962 1.00 0.00 N ATOM 753 CZ ARG A 48 54.503 -6.637 1.923 1.00 0.00 C ATOM 754 NH1 ARG A 48 54.337 -7.367 0.854 1.00 0.00 N ATOM 755 NH2 ARG A 48 53.716 -6.797 2.951 1.00 0.00 N ATOM 0 H ARG A 48 58.006 -2.511 6.343 1.00 0.00 H new ATOM 0 HA ARG A 48 58.933 -4.657 4.738 1.00 0.00 H new ATOM 0 HB2 ARG A 48 56.019 -4.135 4.694 1.00 0.00 H new ATOM 0 HB3 ARG A 48 56.717 -3.846 3.113 1.00 0.00 H new ATOM 0 HG2 ARG A 48 57.901 -6.261 4.204 1.00 0.00 H new ATOM 0 HG3 ARG A 48 56.159 -6.383 4.360 1.00 0.00 H new ATOM 0 HD2 ARG A 48 57.582 -5.592 1.753 1.00 0.00 H new ATOM 0 HD3 ARG A 48 57.011 -7.212 2.104 1.00 0.00 H new ATOM 0 HE ARG A 48 55.253 -4.771 1.747 1.00 0.00 H new ATOM 0 HH11 ARG A 48 54.952 -7.242 0.050 1.00 0.00 H new ATOM 0 HH12 ARG A 48 53.592 -8.063 0.822 1.00 0.00 H new ATOM 0 HH21 ARG A 48 53.846 -6.226 3.786 1.00 0.00 H new ATOM 0 HH22 ARG A 48 52.971 -7.493 2.919 1.00 0.00 H new ATOM 769 N LEU A 49 59.699 -2.977 3.079 1.00 0.00 N ATOM 770 CA LEU A 49 60.314 -1.887 2.273 1.00 0.00 C ATOM 771 C LEU A 49 59.889 -2.036 0.810 1.00 0.00 C ATOM 772 O LEU A 49 59.217 -2.980 0.447 1.00 0.00 O ATOM 773 CB LEU A 49 61.823 -2.080 2.426 1.00 0.00 C ATOM 774 CG LEU A 49 62.171 -2.201 3.912 1.00 0.00 C ATOM 775 CD1 LEU A 49 62.727 -3.597 4.196 1.00 0.00 C ATOM 776 CD2 LEU A 49 63.224 -1.151 4.272 1.00 0.00 C ATOM 0 H LEU A 49 60.073 -3.909 2.902 1.00 0.00 H new ATOM 0 HA LEU A 49 60.006 -0.894 2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 49 62.142 -2.975 1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 49 62.355 -1.238 1.984 1.00 0.00 H new ATOM 0 HG LEU A 49 61.274 -2.040 4.510 1.00 0.00 H new ATOM 0 HD11 LEU A 49 62.974 -3.682 5.254 1.00 0.00 H new ATOM 0 HD12 LEU A 49 61.979 -4.346 3.937 1.00 0.00 H new ATOM 0 HD13 LEU A 49 63.625 -3.759 3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 49 63.474 -1.234 5.330 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.120 -1.314 3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 49 62.829 -0.155 4.070 1.00 0.00 H new ATOM 788 N CYS A 50 60.266 -1.116 -0.033 1.00 0.00 N ATOM 789 CA CYS A 50 59.864 -1.224 -1.465 1.00 0.00 C ATOM 790 C CYS A 50 60.792 -0.390 -2.351 1.00 0.00 C ATOM 791 O CYS A 50 61.275 0.654 -1.960 1.00 0.00 O ATOM 792 CB CYS A 50 58.431 -0.676 -1.526 1.00 0.00 C ATOM 793 SG CYS A 50 58.285 0.809 -0.497 1.00 0.00 S ATOM 0 H CYS A 50 60.830 -0.300 0.204 1.00 0.00 H new ATOM 0 HA CYS A 50 59.924 -2.251 -1.825 1.00 0.00 H new ATOM 0 HB2 CYS A 50 58.168 -0.440 -2.557 1.00 0.00 H new ATOM 0 HB3 CYS A 50 57.728 -1.436 -1.183 1.00 0.00 H new ATOM 0 HG CYS A 50 59.378 0.971 0.188 1.00 0.00 H new ATOM 799 N LEU A 51 61.038 -0.845 -3.550 1.00 0.00 N ATOM 800 CA LEU A 51 61.927 -0.088 -4.474 1.00 0.00 C ATOM 801 C LEU A 51 61.222 1.180 -4.962 1.00 0.00 C ATOM 802 O LEU A 51 60.264 1.119 -5.710 1.00 0.00 O ATOM 803 CB LEU A 51 62.178 -1.040 -5.642 1.00 0.00 C ATOM 804 CG LEU A 51 63.389 -1.920 -5.333 1.00 0.00 C ATOM 805 CD1 LEU A 51 62.949 -3.384 -5.251 1.00 0.00 C ATOM 806 CD2 LEU A 51 64.425 -1.763 -6.447 1.00 0.00 C ATOM 0 H LEU A 51 60.659 -1.713 -3.930 1.00 0.00 H new ATOM 0 HA LEU A 51 62.854 0.227 -3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 51 61.299 -1.661 -5.814 1.00 0.00 H new ATOM 0 HB3 LEU A 51 62.352 -0.473 -6.556 1.00 0.00 H new ATOM 0 HG LEU A 51 63.826 -1.618 -4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 51 63.812 -4.012 -5.031 1.00 0.00 H new ATOM 0 HD12 LEU A 51 62.207 -3.497 -4.461 1.00 0.00 H new ATOM 0 HD13 LEU A 51 62.514 -3.687 -6.203 1.00 0.00 H new ATOM 0 HD21 LEU A 51 65.290 -2.389 -6.230 1.00 0.00 H new ATOM 0 HD22 LEU A 51 63.986 -2.067 -7.397 1.00 0.00 H new ATOM 0 HD23 LEU A 51 64.738 -0.721 -6.509 1.00 0.00 H new ATOM 818 N TYR A 52 61.690 2.327 -4.549 1.00 0.00 N ATOM 819 CA TYR A 52 61.049 3.599 -4.990 1.00 0.00 C ATOM 820 C TYR A 52 61.302 3.826 -6.483 1.00 0.00 C ATOM 821 O TYR A 52 60.666 4.646 -7.114 1.00 0.00 O ATOM 822 CB TYR A 52 61.728 4.690 -4.161 1.00 0.00 C ATOM 823 CG TYR A 52 60.934 5.970 -4.265 1.00 0.00 C ATOM 824 CD1 TYR A 52 59.723 6.099 -3.576 1.00 0.00 C ATOM 825 CD2 TYR A 52 61.410 7.028 -5.051 1.00 0.00 C ATOM 826 CE1 TYR A 52 58.987 7.286 -3.672 1.00 0.00 C ATOM 827 CE2 TYR A 52 60.673 8.214 -5.146 1.00 0.00 C ATOM 828 CZ TYR A 52 59.462 8.343 -4.456 1.00 0.00 C ATOM 829 OH TYR A 52 58.736 9.513 -4.549 1.00 0.00 O ATOM 0 H TYR A 52 62.489 2.438 -3.925 1.00 0.00 H new ATOM 0 HA TYR A 52 59.968 3.590 -4.847 1.00 0.00 H new ATOM 0 HB2 TYR A 52 61.800 4.378 -3.119 1.00 0.00 H new ATOM 0 HB3 TYR A 52 62.746 4.851 -4.516 1.00 0.00 H new ATOM 0 HD1 TYR A 52 59.356 5.283 -2.970 1.00 0.00 H new ATOM 0 HD2 TYR A 52 62.345 6.928 -5.583 1.00 0.00 H new ATOM 0 HE1 TYR A 52 58.052 7.386 -3.141 1.00 0.00 H new ATOM 0 HE2 TYR A 52 61.039 9.030 -5.752 1.00 0.00 H new ATOM 0 HH TYR A 52 59.207 10.145 -5.132 1.00 0.00 H new ATOM 839 N GLU A 53 62.227 3.101 -7.050 1.00 0.00 N ATOM 840 CA GLU A 53 62.524 3.269 -8.501 1.00 0.00 C ATOM 841 C GLU A 53 61.240 3.139 -9.324 1.00 0.00 C ATOM 842 O GLU A 53 60.987 3.912 -10.225 1.00 0.00 O ATOM 843 CB GLU A 53 63.496 2.137 -8.836 1.00 0.00 C ATOM 844 CG GLU A 53 64.422 2.572 -9.974 1.00 0.00 C ATOM 845 CD GLU A 53 65.681 1.705 -9.963 1.00 0.00 C ATOM 846 OE1 GLU A 53 66.204 1.467 -8.887 1.00 0.00 O ATOM 847 OE2 GLU A 53 66.101 1.292 -11.032 1.00 0.00 O ATOM 0 H GLU A 53 62.791 2.399 -6.571 1.00 0.00 H new ATOM 0 HA GLU A 53 62.944 4.249 -8.727 1.00 0.00 H new ATOM 0 HB2 GLU A 53 64.084 1.877 -7.956 1.00 0.00 H new ATOM 0 HB3 GLU A 53 62.943 1.244 -9.126 1.00 0.00 H new ATOM 0 HG2 GLU A 53 63.910 2.477 -10.931 1.00 0.00 H new ATOM 0 HG3 GLU A 53 64.689 3.622 -9.859 1.00 0.00 H new ATOM 854 N ASP A 54 60.427 2.163 -9.022 1.00 0.00 N ATOM 855 CA ASP A 54 59.161 1.985 -9.790 1.00 0.00 C ATOM 856 C ASP A 54 57.999 1.685 -8.838 1.00 0.00 C ATOM 857 O ASP A 54 56.874 2.081 -9.074 1.00 0.00 O ATOM 858 CB ASP A 54 59.422 0.795 -10.714 1.00 0.00 C ATOM 859 CG ASP A 54 58.283 0.677 -11.729 1.00 0.00 C ATOM 860 OD1 ASP A 54 57.163 0.436 -11.308 1.00 0.00 O ATOM 861 OD2 ASP A 54 58.550 0.830 -12.910 1.00 0.00 O ATOM 0 H ASP A 54 60.584 1.483 -8.278 1.00 0.00 H new ATOM 0 HA ASP A 54 58.887 2.881 -10.348 1.00 0.00 H new ATOM 0 HB2 ASP A 54 60.372 0.925 -11.232 1.00 0.00 H new ATOM 0 HB3 ASP A 54 59.499 -0.122 -10.130 1.00 0.00 H new ATOM 866 N GLY A 55 58.259 0.990 -7.765 1.00 0.00 N ATOM 867 CA GLY A 55 57.169 0.669 -6.803 1.00 0.00 C ATOM 868 C GLY A 55 57.209 -0.822 -6.467 1.00 0.00 C ATOM 869 O GLY A 55 56.189 -1.465 -6.327 1.00 0.00 O ATOM 0 H GLY A 55 59.180 0.631 -7.513 1.00 0.00 H new ATOM 0 HA2 GLY A 55 57.285 1.261 -5.895 1.00 0.00 H new ATOM 0 HA3 GLY A 55 56.202 0.930 -7.232 1.00 0.00 H new ATOM 873 N THR A 56 58.383 -1.375 -6.334 1.00 0.00 N ATOM 874 CA THR A 56 58.488 -2.825 -6.003 1.00 0.00 C ATOM 875 C THR A 56 58.499 -3.016 -4.487 1.00 0.00 C ATOM 876 O THR A 56 58.584 -2.068 -3.737 1.00 0.00 O ATOM 877 CB THR A 56 59.814 -3.277 -6.611 1.00 0.00 C ATOM 878 OG1 THR A 56 60.258 -2.313 -7.556 1.00 0.00 O ATOM 879 CG2 THR A 56 59.626 -4.628 -7.304 1.00 0.00 C ATOM 0 H THR A 56 59.273 -0.887 -6.440 1.00 0.00 H new ATOM 0 HA THR A 56 57.648 -3.401 -6.391 1.00 0.00 H new ATOM 0 HB THR A 56 60.559 -3.377 -5.821 1.00 0.00 H new ATOM 0 HG1 THR A 56 61.110 -2.603 -7.944 1.00 0.00 H new ATOM 0 HG21 THR A 56 60.573 -4.949 -7.738 1.00 0.00 H new ATOM 0 HG22 THR A 56 59.291 -5.367 -6.576 1.00 0.00 H new ATOM 0 HG23 THR A 56 58.880 -4.532 -8.093 1.00 0.00 H new ATOM 887 N GLU A 57 58.416 -4.232 -4.026 1.00 0.00 N ATOM 888 CA GLU A 57 58.429 -4.467 -2.553 1.00 0.00 C ATOM 889 C GLU A 57 59.601 -5.376 -2.186 1.00 0.00 C ATOM 890 O GLU A 57 59.868 -6.359 -2.850 1.00 0.00 O ATOM 891 CB GLU A 57 57.095 -5.145 -2.241 1.00 0.00 C ATOM 892 CG GLU A 57 55.958 -4.376 -2.915 1.00 0.00 C ATOM 893 CD GLU A 57 55.068 -3.736 -1.848 1.00 0.00 C ATOM 894 OE1 GLU A 57 55.590 -3.377 -0.805 1.00 0.00 O ATOM 895 OE2 GLU A 57 53.878 -3.614 -2.091 1.00 0.00 O ATOM 0 H GLU A 57 58.340 -5.071 -4.601 1.00 0.00 H new ATOM 0 HA GLU A 57 58.549 -3.545 -1.984 1.00 0.00 H new ATOM 0 HB2 GLU A 57 57.109 -6.176 -2.593 1.00 0.00 H new ATOM 0 HB3 GLU A 57 56.936 -5.178 -1.163 1.00 0.00 H new ATOM 0 HG2 GLU A 57 56.365 -3.608 -3.572 1.00 0.00 H new ATOM 0 HG3 GLU A 57 55.369 -5.049 -3.538 1.00 0.00 H new ATOM 902 N VAL A 58 60.314 -5.053 -1.142 1.00 0.00 N ATOM 903 CA VAL A 58 61.476 -5.900 -0.751 1.00 0.00 C ATOM 904 C VAL A 58 61.779 -5.743 0.741 1.00 0.00 C ATOM 905 O VAL A 58 61.261 -4.867 1.403 1.00 0.00 O ATOM 906 CB VAL A 58 62.635 -5.370 -1.594 1.00 0.00 C ATOM 907 CG1 VAL A 58 63.929 -6.077 -1.187 1.00 0.00 C ATOM 908 CG2 VAL A 58 62.350 -5.637 -3.074 1.00 0.00 C ATOM 0 H VAL A 58 60.143 -4.243 -0.545 1.00 0.00 H new ATOM 0 HA VAL A 58 61.292 -6.961 -0.919 1.00 0.00 H new ATOM 0 HB VAL A 58 62.743 -4.298 -1.431 1.00 0.00 H new ATOM 0 HG11 VAL A 58 64.755 -5.698 -1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 58 64.131 -5.887 -0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 58 63.824 -7.150 -1.349 1.00 0.00 H new ATOM 0 HG21 VAL A 58 63.176 -5.260 -3.677 1.00 0.00 H new ATOM 0 HG22 VAL A 58 62.243 -6.710 -3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 58 61.428 -5.132 -3.364 1.00 0.00 H new ATOM 918 N THR A 59 62.620 -6.589 1.272 1.00 0.00 N ATOM 919 CA THR A 59 62.964 -6.494 2.721 1.00 0.00 C ATOM 920 C THR A 59 64.410 -6.020 2.889 1.00 0.00 C ATOM 921 O THR A 59 65.216 -6.120 1.986 1.00 0.00 O ATOM 922 CB THR A 59 62.797 -7.915 3.263 1.00 0.00 C ATOM 923 OG1 THR A 59 63.610 -8.805 2.511 1.00 0.00 O ATOM 924 CG2 THR A 59 61.333 -8.339 3.147 1.00 0.00 C ATOM 0 H THR A 59 63.084 -7.343 0.765 1.00 0.00 H new ATOM 0 HA THR A 59 62.332 -5.781 3.251 1.00 0.00 H new ATOM 0 HB THR A 59 63.099 -7.942 4.310 1.00 0.00 H new ATOM 0 HG1 THR A 59 63.126 -9.091 1.708 1.00 0.00 H new ATOM 0 HG21 THR A 59 61.216 -9.351 3.533 1.00 0.00 H new ATOM 0 HG22 THR A 59 60.710 -7.656 3.724 1.00 0.00 H new ATOM 0 HG23 THR A 59 61.028 -8.312 2.101 1.00 0.00 H new ATOM 932 N ASP A 60 64.743 -5.497 4.038 1.00 0.00 N ATOM 933 CA ASP A 60 66.132 -5.011 4.262 1.00 0.00 C ATOM 934 C ASP A 60 67.115 -6.185 4.266 1.00 0.00 C ATOM 935 O ASP A 60 68.316 -5.999 4.293 1.00 0.00 O ATOM 936 CB ASP A 60 66.096 -4.334 5.633 1.00 0.00 C ATOM 937 CG ASP A 60 66.032 -5.399 6.730 1.00 0.00 C ATOM 938 OD1 ASP A 60 64.997 -6.032 6.853 1.00 0.00 O ATOM 939 OD2 ASP A 60 67.020 -5.562 7.428 1.00 0.00 O ATOM 0 H ASP A 60 64.111 -5.386 4.831 1.00 0.00 H new ATOM 0 HA ASP A 60 66.462 -4.329 3.478 1.00 0.00 H new ATOM 0 HB2 ASP A 60 66.982 -3.713 5.766 1.00 0.00 H new ATOM 0 HB3 ASP A 60 65.231 -3.674 5.702 1.00 0.00 H new ATOM 944 N ASP A 61 66.619 -7.392 4.244 1.00 0.00 N ATOM 945 CA ASP A 61 67.532 -8.570 4.251 1.00 0.00 C ATOM 946 C ASP A 61 67.588 -9.211 2.861 1.00 0.00 C ATOM 947 O ASP A 61 68.482 -9.975 2.556 1.00 0.00 O ATOM 948 CB ASP A 61 66.919 -9.539 5.264 1.00 0.00 C ATOM 949 CG ASP A 61 68.035 -10.300 5.982 1.00 0.00 C ATOM 950 OD1 ASP A 61 68.705 -11.085 5.330 1.00 0.00 O ATOM 951 OD2 ASP A 61 68.201 -10.086 7.171 1.00 0.00 O ATOM 0 H ASP A 61 65.623 -7.613 4.222 1.00 0.00 H new ATOM 0 HA ASP A 61 68.554 -8.296 4.513 1.00 0.00 H new ATOM 0 HB2 ASP A 61 66.314 -8.992 5.987 1.00 0.00 H new ATOM 0 HB3 ASP A 61 66.254 -10.239 4.758 1.00 0.00 H new ATOM 956 N CYS A 62 66.642 -8.906 2.016 1.00 0.00 N ATOM 957 CA CYS A 62 66.648 -9.500 0.649 1.00 0.00 C ATOM 958 C CYS A 62 67.543 -8.678 -0.282 1.00 0.00 C ATOM 959 O CYS A 62 68.286 -9.217 -1.077 1.00 0.00 O ATOM 960 CB CYS A 62 65.190 -9.443 0.188 1.00 0.00 C ATOM 961 SG CYS A 62 64.312 -10.911 0.783 1.00 0.00 S ATOM 0 H CYS A 62 65.867 -8.273 2.212 1.00 0.00 H new ATOM 0 HA CYS A 62 67.038 -10.518 0.641 1.00 0.00 H new ATOM 0 HB2 CYS A 62 64.712 -8.541 0.569 1.00 0.00 H new ATOM 0 HB3 CYS A 62 65.143 -9.394 -0.900 1.00 0.00 H new ATOM 0 HG CYS A 62 63.781 -10.659 1.943 1.00 0.00 H new ATOM 967 N PHE A 63 67.475 -7.376 -0.188 1.00 0.00 N ATOM 968 CA PHE A 63 68.321 -6.512 -1.065 1.00 0.00 C ATOM 969 C PHE A 63 69.725 -7.108 -1.215 1.00 0.00 C ATOM 970 O PHE A 63 70.559 -6.961 -0.344 1.00 0.00 O ATOM 971 CB PHE A 63 68.385 -5.165 -0.343 1.00 0.00 C ATOM 972 CG PHE A 63 67.081 -4.431 -0.538 1.00 0.00 C ATOM 973 CD1 PHE A 63 66.551 -4.278 -1.825 1.00 0.00 C ATOM 974 CD2 PHE A 63 66.399 -3.906 0.567 1.00 0.00 C ATOM 975 CE1 PHE A 63 65.340 -3.599 -2.007 1.00 0.00 C ATOM 976 CE2 PHE A 63 65.189 -3.227 0.385 1.00 0.00 C ATOM 977 CZ PHE A 63 64.659 -3.074 -0.903 1.00 0.00 C ATOM 0 H PHE A 63 66.869 -6.872 0.460 1.00 0.00 H new ATOM 0 HA PHE A 63 67.911 -6.421 -2.071 1.00 0.00 H new ATOM 0 HB2 PHE A 63 68.574 -5.318 0.720 1.00 0.00 H new ATOM 0 HB3 PHE A 63 69.212 -4.570 -0.731 1.00 0.00 H new ATOM 0 HD1 PHE A 63 67.076 -4.684 -2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 63 66.807 -4.025 1.560 1.00 0.00 H new ATOM 0 HE1 PHE A 63 64.931 -3.480 -3.000 1.00 0.00 H new ATOM 0 HE2 PHE A 63 64.664 -2.821 1.237 1.00 0.00 H new ATOM 0 HZ PHE A 63 63.725 -2.551 -1.044 1.00 0.00 H new ATOM 987 N PRO A 64 69.934 -7.764 -2.325 1.00 0.00 N ATOM 988 CA PRO A 64 71.248 -8.395 -2.601 1.00 0.00 C ATOM 989 C PRO A 64 72.276 -7.332 -3.003 1.00 0.00 C ATOM 990 O PRO A 64 72.974 -6.785 -2.174 1.00 0.00 O ATOM 991 CB PRO A 64 70.954 -9.333 -3.767 1.00 0.00 C ATOM 992 CG PRO A 64 69.755 -8.751 -4.449 1.00 0.00 C ATOM 993 CD PRO A 64 68.976 -7.980 -3.413 1.00 0.00 C ATOM 0 HA PRO A 64 71.667 -8.912 -1.738 1.00 0.00 H new ATOM 0 HB2 PRO A 64 71.803 -9.393 -4.448 1.00 0.00 H new ATOM 0 HB3 PRO A 64 70.754 -10.346 -3.417 1.00 0.00 H new ATOM 0 HG2 PRO A 64 70.058 -8.097 -5.266 1.00 0.00 H new ATOM 0 HG3 PRO A 64 69.140 -9.539 -4.883 1.00 0.00 H new ATOM 0 HD2 PRO A 64 68.609 -7.035 -3.813 1.00 0.00 H new ATOM 0 HD3 PRO A 64 68.106 -8.541 -3.071 1.00 0.00 H new ATOM 1001 N GLY A 65 72.373 -7.038 -4.272 1.00 0.00 N ATOM 1002 CA GLY A 65 73.354 -6.012 -4.728 1.00 0.00 C ATOM 1003 C GLY A 65 72.632 -4.947 -5.554 1.00 0.00 C ATOM 1004 O GLY A 65 72.862 -4.805 -6.738 1.00 0.00 O ATOM 0 H GLY A 65 71.815 -7.464 -5.012 1.00 0.00 H new ATOM 0 HA2 GLY A 65 73.841 -5.552 -3.868 1.00 0.00 H new ATOM 0 HA3 GLY A 65 74.136 -6.481 -5.324 1.00 0.00 H new ATOM 1008 N LEU A 66 71.759 -4.196 -4.938 1.00 0.00 N ATOM 1009 CA LEU A 66 71.019 -3.140 -5.689 1.00 0.00 C ATOM 1010 C LEU A 66 71.967 -2.391 -6.625 1.00 0.00 C ATOM 1011 O LEU A 66 73.171 -2.453 -6.476 1.00 0.00 O ATOM 1012 CB LEU A 66 70.479 -2.190 -4.621 1.00 0.00 C ATOM 1013 CG LEU A 66 69.386 -2.887 -3.814 1.00 0.00 C ATOM 1014 CD1 LEU A 66 69.292 -2.252 -2.425 1.00 0.00 C ATOM 1015 CD2 LEU A 66 68.045 -2.734 -4.536 1.00 0.00 C ATOM 0 H LEU A 66 71.526 -4.268 -3.948 1.00 0.00 H new ATOM 0 HA LEU A 66 70.224 -3.561 -6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 66 71.286 -1.874 -3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 66 70.080 -1.290 -5.090 1.00 0.00 H new ATOM 0 HG LEU A 66 69.628 -3.945 -3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 66 68.512 -2.750 -1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 66 70.247 -2.359 -1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 66 69.050 -1.194 -2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 66 67.264 -3.231 -3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 66 67.804 -1.676 -4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 66 68.111 -3.186 -5.526 1.00 0.00 H new ATOM 1027 N PRO A 67 71.379 -1.696 -7.557 1.00 0.00 N ATOM 1028 CA PRO A 67 72.166 -0.905 -8.532 1.00 0.00 C ATOM 1029 C PRO A 67 72.749 0.333 -7.849 1.00 0.00 C ATOM 1030 O PRO A 67 72.817 0.410 -6.639 1.00 0.00 O ATOM 1031 CB PRO A 67 71.135 -0.511 -9.586 1.00 0.00 C ATOM 1032 CG PRO A 67 69.820 -0.547 -8.872 1.00 0.00 C ATOM 1033 CD PRO A 67 69.936 -1.583 -7.786 1.00 0.00 C ATOM 0 HA PRO A 67 73.010 -1.451 -8.955 1.00 0.00 H new ATOM 0 HB2 PRO A 67 71.340 0.482 -9.987 1.00 0.00 H new ATOM 0 HB3 PRO A 67 71.146 -1.203 -10.428 1.00 0.00 H new ATOM 0 HG2 PRO A 67 69.584 0.430 -8.449 1.00 0.00 H new ATOM 0 HG3 PRO A 67 69.014 -0.799 -9.561 1.00 0.00 H new ATOM 0 HD2 PRO A 67 69.411 -1.274 -6.882 1.00 0.00 H new ATOM 0 HD3 PRO A 67 69.505 -2.535 -8.095 1.00 0.00 H new ATOM 1041 N ASN A 68 73.167 1.306 -8.610 1.00 0.00 N ATOM 1042 CA ASN A 68 73.739 2.536 -7.993 1.00 0.00 C ATOM 1043 C ASN A 68 72.623 3.390 -7.390 1.00 0.00 C ATOM 1044 O ASN A 68 71.500 3.379 -7.854 1.00 0.00 O ATOM 1045 CB ASN A 68 74.425 3.277 -9.141 1.00 0.00 C ATOM 1046 CG ASN A 68 75.913 3.444 -8.828 1.00 0.00 C ATOM 1047 OD1 ASN A 68 76.449 2.756 -7.982 1.00 0.00 O ATOM 1048 ND2 ASN A 68 76.608 4.337 -9.479 1.00 0.00 N ATOM 0 H ASN A 68 73.138 1.303 -9.630 1.00 0.00 H new ATOM 0 HA ASN A 68 74.435 2.308 -7.186 1.00 0.00 H new ATOM 0 HB2 ASN A 68 74.299 2.723 -10.071 1.00 0.00 H new ATOM 0 HB3 ASN A 68 73.962 4.253 -9.285 1.00 0.00 H new ATOM 0 HD21 ASN A 68 77.601 4.457 -9.277 1.00 0.00 H new ATOM 0 HD22 ASN A 68 76.158 4.915 -10.189 1.00 0.00 H new ATOM 1055 N ASP A 69 72.923 4.126 -6.356 1.00 0.00 N ATOM 1056 CA ASP A 69 71.880 4.976 -5.716 1.00 0.00 C ATOM 1057 C ASP A 69 70.572 4.196 -5.604 1.00 0.00 C ATOM 1058 O ASP A 69 69.498 4.735 -5.778 1.00 0.00 O ATOM 1059 CB ASP A 69 71.717 6.180 -6.644 1.00 0.00 C ATOM 1060 CG ASP A 69 73.083 6.825 -6.889 1.00 0.00 C ATOM 1061 OD1 ASP A 69 73.894 6.812 -5.978 1.00 0.00 O ATOM 1062 OD2 ASP A 69 73.294 7.320 -7.984 1.00 0.00 O ATOM 0 H ASP A 69 73.847 4.176 -5.926 1.00 0.00 H new ATOM 0 HA ASP A 69 72.156 5.284 -4.707 1.00 0.00 H new ATOM 0 HB2 ASP A 69 71.276 5.866 -7.590 1.00 0.00 H new ATOM 0 HB3 ASP A 69 71.035 6.905 -6.200 1.00 0.00 H new ATOM 1067 N ALA A 70 70.663 2.929 -5.314 1.00 0.00 N ATOM 1068 CA ALA A 70 69.429 2.099 -5.185 1.00 0.00 C ATOM 1069 C ALA A 70 68.340 2.880 -4.445 1.00 0.00 C ATOM 1070 O ALA A 70 68.353 2.987 -3.235 1.00 0.00 O ATOM 1071 CB ALA A 70 69.852 0.874 -4.374 1.00 0.00 C ATOM 0 H ALA A 70 71.539 2.430 -5.160 1.00 0.00 H new ATOM 0 HA ALA A 70 69.019 1.822 -6.156 1.00 0.00 H new ATOM 0 HB1 ALA A 70 68.995 0.214 -4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 70 70.640 0.340 -4.906 1.00 0.00 H new ATOM 0 HB3 ALA A 70 70.223 1.193 -3.400 1.00 0.00 H new ATOM 1077 N GLU A 71 67.402 3.431 -5.164 1.00 0.00 N ATOM 1078 CA GLU A 71 66.316 4.209 -4.503 1.00 0.00 C ATOM 1079 C GLU A 71 65.370 3.270 -3.751 1.00 0.00 C ATOM 1080 O GLU A 71 64.572 2.571 -4.343 1.00 0.00 O ATOM 1081 CB GLU A 71 65.580 4.914 -5.642 1.00 0.00 C ATOM 1082 CG GLU A 71 65.597 6.424 -5.398 1.00 0.00 C ATOM 1083 CD GLU A 71 65.250 7.157 -6.696 1.00 0.00 C ATOM 1084 OE1 GLU A 71 65.776 6.775 -7.728 1.00 0.00 O ATOM 1085 OE2 GLU A 71 64.464 8.087 -6.634 1.00 0.00 O ATOM 0 H GLU A 71 67.340 3.376 -6.181 1.00 0.00 H new ATOM 0 HA GLU A 71 66.705 4.917 -3.771 1.00 0.00 H new ATOM 0 HB2 GLU A 71 66.055 4.683 -6.595 1.00 0.00 H new ATOM 0 HB3 GLU A 71 64.552 4.556 -5.703 1.00 0.00 H new ATOM 0 HG2 GLU A 71 64.881 6.685 -4.619 1.00 0.00 H new ATOM 0 HG3 GLU A 71 66.580 6.735 -5.045 1.00 0.00 H new ATOM 1092 N LEU A 72 65.451 3.253 -2.450 1.00 0.00 N ATOM 1093 CA LEU A 72 64.557 2.364 -1.655 1.00 0.00 C ATOM 1094 C LEU A 72 63.551 3.203 -0.863 1.00 0.00 C ATOM 1095 O LEU A 72 63.699 4.403 -0.735 1.00 0.00 O ATOM 1096 CB LEU A 72 65.492 1.607 -0.710 1.00 0.00 C ATOM 1097 CG LEU A 72 65.934 0.296 -1.365 1.00 0.00 C ATOM 1098 CD1 LEU A 72 66.359 0.560 -2.811 1.00 0.00 C ATOM 1099 CD2 LEU A 72 67.115 -0.288 -0.588 1.00 0.00 C ATOM 0 H LEU A 72 66.099 3.818 -1.901 1.00 0.00 H new ATOM 0 HA LEU A 72 63.979 1.686 -2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 72 66.363 2.220 -0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 72 64.984 1.401 0.232 1.00 0.00 H new ATOM 0 HG LEU A 72 65.104 -0.410 -1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 72 66.673 -0.375 -3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 72 65.519 0.976 -3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 72 67.188 1.267 -2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 72 67.431 -1.222 -1.053 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.943 0.421 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.814 -0.480 0.442 1.00 0.00 H new ATOM 1111 N LEU A 73 62.532 2.588 -0.332 1.00 0.00 N ATOM 1112 CA LEU A 73 61.525 3.362 0.449 1.00 0.00 C ATOM 1113 C LEU A 73 61.042 2.550 1.652 1.00 0.00 C ATOM 1114 O LEU A 73 60.804 1.362 1.559 1.00 0.00 O ATOM 1115 CB LEU A 73 60.374 3.617 -0.524 1.00 0.00 C ATOM 1116 CG LEU A 73 59.315 4.487 0.156 1.00 0.00 C ATOM 1117 CD1 LEU A 73 59.240 5.843 -0.545 1.00 0.00 C ATOM 1118 CD2 LEU A 73 57.954 3.793 0.070 1.00 0.00 C ATOM 0 H LEU A 73 62.352 1.587 -0.404 1.00 0.00 H new ATOM 0 HA LEU A 73 61.939 4.291 0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 73 60.745 4.112 -1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 73 59.935 2.671 -0.840 1.00 0.00 H new ATOM 0 HG LEU A 73 59.584 4.634 1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 73 58.485 6.462 -0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.209 6.338 -0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 73 58.972 5.697 -1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 73 57.199 4.412 0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 73 57.686 3.646 -0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 73 58.006 2.826 0.571 1.00 0.00 H new ATOM 1130 N LEU A 74 60.895 3.184 2.784 1.00 0.00 N ATOM 1131 CA LEU A 74 60.424 2.452 3.996 1.00 0.00 C ATOM 1132 C LEU A 74 58.901 2.300 3.961 1.00 0.00 C ATOM 1133 O LEU A 74 58.197 3.160 3.468 1.00 0.00 O ATOM 1134 CB LEU A 74 60.850 3.332 5.171 1.00 0.00 C ATOM 1135 CG LEU A 74 61.102 2.456 6.397 1.00 0.00 C ATOM 1136 CD1 LEU A 74 62.277 1.516 6.120 1.00 0.00 C ATOM 1137 CD2 LEU A 74 61.432 3.344 7.601 1.00 0.00 C ATOM 0 H LEU A 74 61.081 4.177 2.922 1.00 0.00 H new ATOM 0 HA LEU A 74 60.840 1.447 4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 74 61.753 3.887 4.915 1.00 0.00 H new ATOM 0 HB3 LEU A 74 60.075 4.067 5.389 1.00 0.00 H new ATOM 0 HG LEU A 74 60.209 1.869 6.613 1.00 0.00 H new ATOM 0 HD11 LEU A 74 62.457 0.891 6.995 1.00 0.00 H new ATOM 0 HD12 LEU A 74 62.043 0.883 5.264 1.00 0.00 H new ATOM 0 HD13 LEU A 74 63.170 2.103 5.904 1.00 0.00 H new ATOM 0 HD21 LEU A 74 61.612 2.719 8.476 1.00 0.00 H new ATOM 0 HD22 LEU A 74 62.324 3.932 7.386 1.00 0.00 H new ATOM 0 HD23 LEU A 74 60.595 4.014 7.799 1.00 0.00 H new ATOM 1149 N LEU A 75 58.383 1.216 4.473 1.00 0.00 N ATOM 1150 CA LEU A 75 56.905 1.023 4.458 1.00 0.00 C ATOM 1151 C LEU A 75 56.499 0.026 5.545 1.00 0.00 C ATOM 1152 O LEU A 75 57.301 -0.754 6.013 1.00 0.00 O ATOM 1153 CB LEU A 75 56.605 0.464 3.063 1.00 0.00 C ATOM 1154 CG LEU A 75 55.234 -0.214 3.055 1.00 0.00 C ATOM 1155 CD1 LEU A 75 54.643 -0.151 1.646 1.00 0.00 C ATOM 1156 CD2 LEU A 75 55.384 -1.677 3.475 1.00 0.00 C ATOM 0 H LEU A 75 58.917 0.459 4.899 1.00 0.00 H new ATOM 0 HA LEU A 75 56.355 1.943 4.655 1.00 0.00 H new ATOM 0 HB2 LEU A 75 56.626 1.268 2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 75 57.375 -0.251 2.775 1.00 0.00 H new ATOM 0 HG LEU A 75 54.573 0.300 3.753 1.00 0.00 H new ATOM 0 HD11 LEU A 75 53.666 -0.634 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 75 54.535 0.890 1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 75 55.306 -0.665 0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 75 54.407 -2.159 3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 75 56.046 -2.190 2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 75 55.807 -1.726 4.479 1.00 0.00 H new ATOM 1168 N THR A 76 55.259 0.042 5.950 1.00 0.00 N ATOM 1169 CA THR A 76 54.811 -0.912 7.005 1.00 0.00 C ATOM 1170 C THR A 76 53.325 -1.232 6.821 1.00 0.00 C ATOM 1171 O THR A 76 52.657 -0.657 5.985 1.00 0.00 O ATOM 1172 CB THR A 76 55.044 -0.195 8.338 1.00 0.00 C ATOM 1173 OG1 THR A 76 53.974 0.709 8.580 1.00 0.00 O ATOM 1174 CG2 THR A 76 56.365 0.576 8.296 1.00 0.00 C ATOM 0 H THR A 76 54.538 0.672 5.598 1.00 0.00 H new ATOM 0 HA THR A 76 55.355 -1.856 6.960 1.00 0.00 H new ATOM 0 HB THR A 76 55.090 -0.934 9.138 1.00 0.00 H new ATOM 0 HG1 THR A 76 54.120 1.168 9.433 1.00 0.00 H new ATOM 0 HG21 THR A 76 56.521 1.082 9.249 1.00 0.00 H new ATOM 0 HG22 THR A 76 57.186 -0.118 8.115 1.00 0.00 H new ATOM 0 HG23 THR A 76 56.330 1.314 7.494 1.00 0.00 H new ATOM 1182 N ALA A 77 52.802 -2.145 7.592 1.00 0.00 N ATOM 1183 CA ALA A 77 51.360 -2.492 7.452 1.00 0.00 C ATOM 1184 C ALA A 77 50.511 -1.223 7.509 1.00 0.00 C ATOM 1185 O ALA A 77 49.411 -1.173 6.993 1.00 0.00 O ATOM 1186 CB ALA A 77 51.050 -3.406 8.639 1.00 0.00 C ATOM 0 H ALA A 77 53.308 -2.664 8.310 1.00 0.00 H new ATOM 0 HA ALA A 77 51.141 -2.980 6.502 1.00 0.00 H new ATOM 0 HB1 ALA A 77 50.002 -3.704 8.604 1.00 0.00 H new ATOM 0 HB2 ALA A 77 51.682 -4.293 8.590 1.00 0.00 H new ATOM 0 HB3 ALA A 77 51.245 -2.873 9.569 1.00 0.00 H new ATOM 1192 N GLY A 78 51.016 -0.192 8.126 1.00 0.00 N ATOM 1193 CA GLY A 78 50.244 1.078 8.208 1.00 0.00 C ATOM 1194 C GLY A 78 50.683 2.002 7.074 1.00 0.00 C ATOM 1195 O GLY A 78 50.462 3.196 7.109 1.00 0.00 O ATOM 0 H GLY A 78 51.931 -0.174 8.577 1.00 0.00 H new ATOM 0 HA2 GLY A 78 49.176 0.874 8.135 1.00 0.00 H new ATOM 0 HA3 GLY A 78 50.412 1.559 9.172 1.00 0.00 H new ATOM 1199 N GLU A 79 51.309 1.458 6.065 1.00 0.00 N ATOM 1200 CA GLU A 79 51.767 2.308 4.928 1.00 0.00 C ATOM 1201 C GLU A 79 51.807 1.492 3.632 1.00 0.00 C ATOM 1202 O GLU A 79 51.824 0.277 3.653 1.00 0.00 O ATOM 1203 CB GLU A 79 53.175 2.762 5.316 1.00 0.00 C ATOM 1204 CG GLU A 79 53.131 4.220 5.775 1.00 0.00 C ATOM 1205 CD GLU A 79 54.557 4.740 5.959 1.00 0.00 C ATOM 1206 OE1 GLU A 79 55.467 3.927 5.969 1.00 0.00 O ATOM 1207 OE2 GLU A 79 54.716 5.943 6.087 1.00 0.00 O ATOM 0 H GLU A 79 51.523 0.464 5.979 1.00 0.00 H new ATOM 0 HA GLU A 79 51.098 3.150 4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 79 53.566 2.130 6.113 1.00 0.00 H new ATOM 0 HB3 GLU A 79 53.850 2.657 4.466 1.00 0.00 H new ATOM 0 HG2 GLU A 79 52.603 4.828 5.040 1.00 0.00 H new ATOM 0 HG3 GLU A 79 52.579 4.301 6.712 1.00 0.00 H new ATOM 1214 N THR A 80 51.818 2.152 2.507 1.00 0.00 N ATOM 1215 CA THR A 80 51.853 1.419 1.208 1.00 0.00 C ATOM 1216 C THR A 80 52.419 2.322 0.107 1.00 0.00 C ATOM 1217 O THR A 80 52.157 3.509 0.071 1.00 0.00 O ATOM 1218 CB THR A 80 50.394 1.070 0.912 1.00 0.00 C ATOM 1219 OG1 THR A 80 49.544 1.737 1.836 1.00 0.00 O ATOM 1220 CG2 THR A 80 50.195 -0.443 1.031 1.00 0.00 C ATOM 0 H THR A 80 51.804 3.169 2.430 1.00 0.00 H new ATOM 0 HA THR A 80 52.486 0.532 1.251 1.00 0.00 H new ATOM 0 HB THR A 80 50.145 1.390 -0.100 1.00 0.00 H new ATOM 0 HG1 THR A 80 48.610 1.512 1.642 1.00 0.00 H new ATOM 0 HG21 THR A 80 49.155 -0.691 0.820 1.00 0.00 H new ATOM 0 HG22 THR A 80 50.842 -0.952 0.316 1.00 0.00 H new ATOM 0 HG23 THR A 80 50.447 -0.765 2.042 1.00 0.00 H new ATOM 1228 N TRP A 81 53.189 1.771 -0.793 1.00 0.00 N ATOM 1229 CA TRP A 81 53.763 2.604 -1.890 1.00 0.00 C ATOM 1230 C TRP A 81 53.225 2.135 -3.244 1.00 0.00 C ATOM 1231 O TRP A 81 53.202 0.956 -3.539 1.00 0.00 O ATOM 1232 CB TRP A 81 55.275 2.387 -1.811 1.00 0.00 C ATOM 1233 CG TRP A 81 55.927 2.967 -3.025 1.00 0.00 C ATOM 1234 CD1 TRP A 81 56.922 2.379 -3.729 1.00 0.00 C ATOM 1235 CD2 TRP A 81 55.650 4.234 -3.691 1.00 0.00 C ATOM 1236 NE1 TRP A 81 57.273 3.204 -4.783 1.00 0.00 N ATOM 1237 CE2 TRP A 81 56.518 4.360 -4.801 1.00 0.00 C ATOM 1238 CE3 TRP A 81 54.739 5.278 -3.441 1.00 0.00 C ATOM 1239 CZ2 TRP A 81 56.485 5.479 -5.633 1.00 0.00 C ATOM 1240 CZ3 TRP A 81 54.703 6.406 -4.278 1.00 0.00 C ATOM 1241 CH2 TRP A 81 55.574 6.506 -5.371 1.00 0.00 C ATOM 0 H TRP A 81 53.445 0.784 -0.816 1.00 0.00 H new ATOM 0 HA TRP A 81 53.499 3.657 -1.788 1.00 0.00 H new ATOM 0 HB2 TRP A 81 55.674 2.857 -0.912 1.00 0.00 H new ATOM 0 HB3 TRP A 81 55.497 1.322 -1.740 1.00 0.00 H new ATOM 0 HD1 TRP A 81 57.369 1.422 -3.505 1.00 0.00 H new ATOM 0 HE1 TRP A 81 58.001 2.985 -5.464 1.00 0.00 H new ATOM 0 HE3 TRP A 81 54.064 5.211 -2.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 57.159 5.551 -6.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 54.000 7.201 -4.078 1.00 0.00 H new ATOM 0 HH2 TRP A 81 55.541 7.376 -6.010 1.00 0.00 H new ATOM 1252 N HIS A 82 52.792 3.048 -4.070 1.00 0.00 N ATOM 1253 CA HIS A 82 52.256 2.651 -5.404 1.00 0.00 C ATOM 1254 C HIS A 82 53.391 2.559 -6.426 1.00 0.00 C ATOM 1255 O HIS A 82 53.879 1.490 -6.733 1.00 0.00 O ATOM 1256 CB HIS A 82 51.278 3.764 -5.787 1.00 0.00 C ATOM 1257 CG HIS A 82 50.019 3.630 -4.975 1.00 0.00 C ATOM 1258 ND1 HIS A 82 48.919 4.449 -5.179 1.00 0.00 N ATOM 1259 CD2 HIS A 82 49.670 2.781 -3.954 1.00 0.00 C ATOM 1260 CE1 HIS A 82 47.970 4.078 -4.301 1.00 0.00 C ATOM 1261 NE2 HIS A 82 48.376 3.066 -3.529 1.00 0.00 N ATOM 0 H HIS A 82 52.786 4.050 -3.880 1.00 0.00 H new ATOM 0 HA HIS A 82 51.773 1.674 -5.379 1.00 0.00 H new ATOM 0 HB2 HIS A 82 51.734 4.739 -5.612 1.00 0.00 H new ATOM 0 HB3 HIS A 82 51.045 3.707 -6.850 1.00 0.00 H new ATOM 0 HD2 HIS A 82 50.304 2.009 -3.543 1.00 0.00 H new ATOM 0 HE1 HIS A 82 46.997 4.542 -4.229 1.00 0.00 H new ATOM 0 HE2 HIS A 82 47.851 2.602 -2.788 1.00 0.00 H new ATOM 1269 N GLY A 83 53.815 3.674 -6.955 1.00 0.00 N ATOM 1270 CA GLY A 83 54.918 3.653 -7.957 1.00 0.00 C ATOM 1271 C GLY A 83 55.413 5.081 -8.195 1.00 0.00 C ATOM 1272 O GLY A 83 54.689 6.037 -8.007 1.00 0.00 O ATOM 0 H GLY A 83 53.445 4.599 -6.736 1.00 0.00 H new ATOM 0 HA2 GLY A 83 55.736 3.027 -7.601 1.00 0.00 H new ATOM 0 HA3 GLY A 83 54.567 3.217 -8.892 1.00 0.00 H new ATOM 1276 N TYR A 84 56.643 5.233 -8.603 1.00 0.00 N ATOM 1277 CA TYR A 84 57.181 6.602 -8.847 1.00 0.00 C ATOM 1278 C TYR A 84 56.984 6.996 -10.313 1.00 0.00 C ATOM 1279 O TYR A 84 57.777 6.658 -11.169 1.00 0.00 O ATOM 1280 CB TYR A 84 58.672 6.509 -8.511 1.00 0.00 C ATOM 1281 CG TYR A 84 59.322 7.867 -8.668 1.00 0.00 C ATOM 1282 CD1 TYR A 84 58.543 9.033 -8.643 1.00 0.00 C ATOM 1283 CD2 TYR A 84 60.708 7.958 -8.839 1.00 0.00 C ATOM 1284 CE1 TYR A 84 59.151 10.286 -8.789 1.00 0.00 C ATOM 1285 CE2 TYR A 84 61.316 9.211 -8.985 1.00 0.00 C ATOM 1286 CZ TYR A 84 60.538 10.374 -8.960 1.00 0.00 C ATOM 1287 OH TYR A 84 61.138 11.609 -9.105 1.00 0.00 O ATOM 0 H TYR A 84 57.298 4.471 -8.778 1.00 0.00 H new ATOM 0 HA TYR A 84 56.674 7.357 -8.246 1.00 0.00 H new ATOM 0 HB2 TYR A 84 58.802 6.150 -7.490 1.00 0.00 H new ATOM 0 HB3 TYR A 84 59.157 5.786 -9.167 1.00 0.00 H new ATOM 0 HD1 TYR A 84 57.473 8.964 -8.511 1.00 0.00 H new ATOM 0 HD2 TYR A 84 61.309 7.061 -8.858 1.00 0.00 H new ATOM 0 HE1 TYR A 84 58.551 11.184 -8.770 1.00 0.00 H new ATOM 0 HE2 TYR A 84 62.386 9.280 -9.117 1.00 0.00 H new ATOM 0 HH TYR A 84 62.105 11.492 -9.213 1.00 0.00 H new