USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 CYS SG : rot 114:sc= -5.29! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -160:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.651 USER MOD Single : A 35 TYR OH : rot -170:sc= 0.504! USER MOD Single : A 36 GLN : amide:sc= -0.393 K(o=-0.39,f=-1.8!) USER MOD Single : A 37 SER OG : rot -94:sc= -2.3! USER MOD Single : A 39 THR OG1 : rot -23:sc= 0.595 USER MOD Single : A 45 SER OG : rot 123:sc= -1.99! USER MOD Single : A 46 LYS NZ :NH3+ -155:sc= 0.958 (180deg=0.493) USER MOD Single : A 50 THR OG1 : rot -34:sc= -5.1! USER MOD Single : A 52 TYR OH : rot 73:sc= -1.3! USER MOD Single : A 57 CYS SG : rot 180:sc= -0.337 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0379 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.0741 F(o=-1,f=-0.074) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 56.199 -9.797 3.178 1.00 0.00 N ATOM 56 CA TRP A 5 57.586 -9.440 3.586 1.00 0.00 C ATOM 57 C TRP A 5 58.585 -10.212 2.722 1.00 0.00 C ATOM 58 O TRP A 5 58.870 -11.367 2.968 1.00 0.00 O ATOM 59 CB TRP A 5 57.798 -9.808 5.057 1.00 0.00 C ATOM 60 CG TRP A 5 56.750 -9.151 5.895 1.00 0.00 C ATOM 61 CD1 TRP A 5 55.542 -9.685 6.189 1.00 0.00 C ATOM 62 CD2 TRP A 5 56.794 -7.852 6.552 1.00 0.00 C ATOM 63 NE1 TRP A 5 54.842 -8.796 6.985 1.00 0.00 N ATOM 64 CE2 TRP A 5 55.573 -7.652 7.237 1.00 0.00 C ATOM 65 CE3 TRP A 5 57.768 -6.840 6.621 1.00 0.00 C ATOM 66 CZ2 TRP A 5 55.324 -6.486 7.962 1.00 0.00 C ATOM 67 CZ3 TRP A 5 57.521 -5.665 7.351 1.00 0.00 C ATOM 68 CH2 TRP A 5 56.302 -5.489 8.021 1.00 0.00 C ATOM 0 HA TRP A 5 57.738 -8.369 3.453 1.00 0.00 H new ATOM 0 HB2 TRP A 5 57.752 -10.890 5.182 1.00 0.00 H new ATOM 0 HB3 TRP A 5 58.789 -9.491 5.382 1.00 0.00 H new ATOM 0 HD1 TRP A 5 55.183 -10.648 5.857 1.00 0.00 H new ATOM 0 HE1 TRP A 5 53.902 -8.965 7.342 1.00 0.00 H new ATOM 0 HE3 TRP A 5 58.711 -6.967 6.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 54.382 -6.355 8.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 58.275 -4.893 7.396 1.00 0.00 H new ATOM 0 HH2 TRP A 5 56.119 -4.584 8.582 1.00 0.00 H new ATOM 79 N LEU A 6 59.121 -9.583 1.712 1.00 0.00 N ATOM 80 CA LEU A 6 60.104 -10.281 0.836 1.00 0.00 C ATOM 81 C LEU A 6 61.478 -9.628 0.998 1.00 0.00 C ATOM 82 O LEU A 6 61.585 -8.435 1.203 1.00 0.00 O ATOM 83 CB LEU A 6 59.652 -10.173 -0.622 1.00 0.00 C ATOM 84 CG LEU A 6 58.344 -10.945 -0.810 1.00 0.00 C ATOM 85 CD1 LEU A 6 57.766 -10.645 -2.195 1.00 0.00 C ATOM 86 CD2 LEU A 6 58.619 -12.446 -0.687 1.00 0.00 C ATOM 0 H LEU A 6 58.921 -8.616 1.456 1.00 0.00 H new ATOM 0 HA LEU A 6 60.166 -11.332 1.118 1.00 0.00 H new ATOM 0 HB2 LEU A 6 59.511 -9.127 -0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 6 60.421 -10.573 -1.283 1.00 0.00 H new ATOM 0 HG LEU A 6 57.629 -10.640 -0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 6 56.835 -11.195 -2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 6 57.572 -9.576 -2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 6 58.479 -10.949 -2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 6 57.689 -12.998 -0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 6 59.334 -12.749 -1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 6 59.030 -12.661 0.299 1.00 0.00 H new ATOM 98 N ASP A 7 62.531 -10.397 0.913 1.00 0.00 N ATOM 99 CA ASP A 7 63.895 -9.813 1.067 1.00 0.00 C ATOM 100 C ASP A 7 63.978 -8.499 0.288 1.00 0.00 C ATOM 101 O ASP A 7 63.632 -8.435 -0.873 1.00 0.00 O ATOM 102 CB ASP A 7 64.936 -10.794 0.524 1.00 0.00 C ATOM 103 CG ASP A 7 66.250 -10.614 1.287 1.00 0.00 C ATOM 104 OD1 ASP A 7 66.242 -9.911 2.284 1.00 0.00 O ATOM 105 OD2 ASP A 7 67.242 -11.183 0.861 1.00 0.00 O ATOM 0 H ASP A 7 62.506 -11.403 0.744 1.00 0.00 H new ATOM 0 HA ASP A 7 64.091 -9.623 2.122 1.00 0.00 H new ATOM 0 HB2 ASP A 7 64.578 -11.818 0.631 1.00 0.00 H new ATOM 0 HB3 ASP A 7 65.094 -10.621 -0.541 1.00 0.00 H new ATOM 110 N CYS A 8 64.430 -7.451 0.922 1.00 0.00 N ATOM 111 CA CYS A 8 64.533 -6.137 0.224 1.00 0.00 C ATOM 112 C CYS A 8 65.809 -6.109 -0.631 1.00 0.00 C ATOM 113 O CYS A 8 66.902 -6.125 -0.101 1.00 0.00 O ATOM 114 CB CYS A 8 64.598 -5.019 1.268 1.00 0.00 C ATOM 115 SG CYS A 8 65.018 -3.455 0.460 1.00 0.00 S ATOM 0 H CYS A 8 64.733 -7.448 1.896 1.00 0.00 H new ATOM 0 HA CYS A 8 63.664 -5.994 -0.418 1.00 0.00 H new ATOM 0 HB2 CYS A 8 63.640 -4.930 1.779 1.00 0.00 H new ATOM 0 HB3 CYS A 8 65.343 -5.259 2.027 1.00 0.00 H new ATOM 0 HG CYS A 8 64.011 -2.637 0.547 1.00 0.00 H new ATOM 121 N PRO A 9 65.635 -6.069 -1.931 1.00 0.00 N ATOM 122 CA PRO A 9 66.764 -6.040 -2.877 1.00 0.00 C ATOM 123 C PRO A 9 67.332 -4.623 -2.989 1.00 0.00 C ATOM 124 O PRO A 9 68.515 -4.402 -2.822 1.00 0.00 O ATOM 125 CB PRO A 9 66.132 -6.469 -4.203 1.00 0.00 C ATOM 126 CG PRO A 9 64.619 -6.165 -4.083 1.00 0.00 C ATOM 127 CD PRO A 9 64.308 -6.052 -2.579 1.00 0.00 C ATOM 0 HA PRO A 9 67.592 -6.681 -2.572 1.00 0.00 H new ATOM 0 HB2 PRO A 9 66.573 -5.924 -5.038 1.00 0.00 H new ATOM 0 HB3 PRO A 9 66.302 -7.529 -4.389 1.00 0.00 H new ATOM 0 HG2 PRO A 9 64.368 -5.239 -4.601 1.00 0.00 H new ATOM 0 HG3 PRO A 9 64.028 -6.957 -4.542 1.00 0.00 H new ATOM 0 HD2 PRO A 9 63.766 -5.134 -2.353 1.00 0.00 H new ATOM 0 HD3 PRO A 9 63.688 -6.881 -2.237 1.00 0.00 H new ATOM 135 N ALA A 10 66.495 -3.663 -3.278 1.00 0.00 N ATOM 136 CA ALA A 10 66.981 -2.261 -3.412 1.00 0.00 C ATOM 137 C ALA A 10 67.976 -1.946 -2.292 1.00 0.00 C ATOM 138 O ALA A 10 68.913 -1.195 -2.476 1.00 0.00 O ATOM 139 CB ALA A 10 65.796 -1.297 -3.328 1.00 0.00 C ATOM 0 H ALA A 10 65.494 -3.790 -3.427 1.00 0.00 H new ATOM 0 HA ALA A 10 67.477 -2.145 -4.376 1.00 0.00 H new ATOM 0 HB1 ALA A 10 66.153 -0.272 -3.426 1.00 0.00 H new ATOM 0 HB2 ALA A 10 65.092 -1.515 -4.131 1.00 0.00 H new ATOM 0 HB3 ALA A 10 65.297 -1.417 -2.366 1.00 0.00 H new ATOM 145 N LEU A 11 67.783 -2.514 -1.134 1.00 0.00 N ATOM 146 CA LEU A 11 68.722 -2.245 -0.008 1.00 0.00 C ATOM 147 C LEU A 11 69.613 -3.468 0.210 1.00 0.00 C ATOM 148 O LEU A 11 70.814 -3.411 0.041 1.00 0.00 O ATOM 149 CB LEU A 11 67.926 -1.960 1.269 1.00 0.00 C ATOM 150 CG LEU A 11 66.935 -0.820 1.017 1.00 0.00 C ATOM 151 CD1 LEU A 11 66.403 -0.303 2.353 1.00 0.00 C ATOM 152 CD2 LEU A 11 67.640 0.321 0.282 1.00 0.00 C ATOM 0 H LEU A 11 67.017 -3.152 -0.918 1.00 0.00 H new ATOM 0 HA LEU A 11 69.340 -1.380 -0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 11 67.391 -2.856 1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 11 68.604 -1.693 2.079 1.00 0.00 H new ATOM 0 HG LEU A 11 66.109 -1.190 0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 11 65.698 0.508 2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 11 65.899 -1.112 2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 11 67.232 0.064 2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 11 66.933 1.131 0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 11 68.467 0.689 0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 11 68.023 -0.042 -0.672 1.00 0.00 H new ATOM 164 N GLY A 12 69.033 -4.575 0.582 1.00 0.00 N ATOM 165 CA GLY A 12 69.848 -5.801 0.807 1.00 0.00 C ATOM 166 C GLY A 12 69.227 -6.631 1.934 1.00 0.00 C ATOM 167 O GLY A 12 68.032 -6.583 2.148 1.00 0.00 O ATOM 0 H GLY A 12 68.031 -4.684 0.740 1.00 0.00 H new ATOM 0 HA2 GLY A 12 69.896 -6.391 -0.108 1.00 0.00 H new ATOM 0 HA3 GLY A 12 70.871 -5.528 1.064 1.00 0.00 H new ATOM 171 N PRO A 13 70.061 -7.367 2.623 1.00 0.00 N ATOM 172 CA PRO A 13 69.629 -8.221 3.741 1.00 0.00 C ATOM 173 C PRO A 13 69.386 -7.373 4.993 1.00 0.00 C ATOM 174 O PRO A 13 69.941 -6.303 5.146 1.00 0.00 O ATOM 175 CB PRO A 13 70.810 -9.174 3.944 1.00 0.00 C ATOM 176 CG PRO A 13 72.047 -8.470 3.337 1.00 0.00 C ATOM 177 CD PRO A 13 71.513 -7.415 2.350 1.00 0.00 C ATOM 0 HA PRO A 13 68.695 -8.748 3.545 1.00 0.00 H new ATOM 0 HB2 PRO A 13 70.963 -9.384 5.003 1.00 0.00 H new ATOM 0 HB3 PRO A 13 70.627 -10.130 3.453 1.00 0.00 H new ATOM 0 HG2 PRO A 13 72.648 -8.002 4.117 1.00 0.00 H new ATOM 0 HG3 PRO A 13 72.690 -9.188 2.827 1.00 0.00 H new ATOM 0 HD2 PRO A 13 71.981 -6.444 2.512 1.00 0.00 H new ATOM 0 HD3 PRO A 13 71.715 -7.697 1.317 1.00 0.00 H new ATOM 185 N GLY A 14 68.558 -7.840 5.886 1.00 0.00 N ATOM 186 CA GLY A 14 68.278 -7.056 7.123 1.00 0.00 C ATOM 187 C GLY A 14 67.080 -6.138 6.878 1.00 0.00 C ATOM 188 O GLY A 14 66.293 -5.874 7.765 1.00 0.00 O ATOM 0 H GLY A 14 68.064 -8.729 5.814 1.00 0.00 H new ATOM 0 HA2 GLY A 14 68.071 -7.729 7.955 1.00 0.00 H new ATOM 0 HA3 GLY A 14 69.152 -6.467 7.400 1.00 0.00 H new ATOM 192 N TRP A 15 66.936 -5.654 5.676 1.00 0.00 N ATOM 193 CA TRP A 15 65.791 -4.756 5.361 1.00 0.00 C ATOM 194 C TRP A 15 64.650 -5.592 4.773 1.00 0.00 C ATOM 195 O TRP A 15 64.819 -6.276 3.784 1.00 0.00 O ATOM 196 CB TRP A 15 66.244 -3.710 4.339 1.00 0.00 C ATOM 197 CG TRP A 15 65.436 -2.461 4.494 1.00 0.00 C ATOM 198 CD1 TRP A 15 64.541 -2.000 3.592 1.00 0.00 C ATOM 199 CD2 TRP A 15 65.438 -1.502 5.593 1.00 0.00 C ATOM 200 NE1 TRP A 15 63.997 -0.821 4.064 1.00 0.00 N ATOM 201 CE2 TRP A 15 64.513 -0.474 5.295 1.00 0.00 C ATOM 202 CE3 TRP A 15 66.144 -1.424 6.805 1.00 0.00 C ATOM 203 CZ2 TRP A 15 64.295 0.591 6.168 1.00 0.00 C ATOM 204 CZ3 TRP A 15 65.927 -0.352 7.688 1.00 0.00 C ATOM 205 CH2 TRP A 15 65.004 0.653 7.369 1.00 0.00 C ATOM 0 H TRP A 15 67.565 -5.843 4.895 1.00 0.00 H new ATOM 0 HA TRP A 15 65.446 -4.255 6.265 1.00 0.00 H new ATOM 0 HB2 TRP A 15 67.302 -3.488 4.478 1.00 0.00 H new ATOM 0 HB3 TRP A 15 66.131 -4.103 3.329 1.00 0.00 H new ATOM 0 HD1 TRP A 15 64.292 -2.476 2.655 1.00 0.00 H new ATOM 0 HE1 TRP A 15 63.298 -0.273 3.562 1.00 0.00 H new ATOM 0 HE3 TRP A 15 66.858 -2.193 7.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 63.582 1.363 5.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 66.475 -0.303 8.618 1.00 0.00 H new ATOM 0 HH2 TRP A 15 64.841 1.474 8.051 1.00 0.00 H new ATOM 216 N LYS A 16 63.491 -5.548 5.374 1.00 0.00 N ATOM 217 CA LYS A 16 62.351 -6.345 4.846 1.00 0.00 C ATOM 218 C LYS A 16 61.469 -5.447 3.982 1.00 0.00 C ATOM 219 O LYS A 16 60.959 -4.441 4.436 1.00 0.00 O ATOM 220 CB LYS A 16 61.533 -6.896 6.014 1.00 0.00 C ATOM 221 CG LYS A 16 61.563 -8.424 5.981 1.00 0.00 C ATOM 222 CD LYS A 16 63.008 -8.901 5.827 1.00 0.00 C ATOM 223 CE LYS A 16 63.388 -9.773 7.026 1.00 0.00 C ATOM 224 NZ LYS A 16 64.863 -9.983 7.039 1.00 0.00 N ATOM 0 H LYS A 16 63.287 -4.995 6.206 1.00 0.00 H new ATOM 0 HA LYS A 16 62.727 -7.174 4.246 1.00 0.00 H new ATOM 0 HB2 LYS A 16 61.939 -6.534 6.959 1.00 0.00 H new ATOM 0 HB3 LYS A 16 60.505 -6.540 5.951 1.00 0.00 H new ATOM 0 HG2 LYS A 16 61.131 -8.827 6.897 1.00 0.00 H new ATOM 0 HG3 LYS A 16 60.957 -8.793 5.154 1.00 0.00 H new ATOM 0 HD2 LYS A 16 63.119 -9.467 4.902 1.00 0.00 H new ATOM 0 HD3 LYS A 16 63.679 -8.045 5.759 1.00 0.00 H new ATOM 0 HE2 LYS A 16 63.070 -9.295 7.952 1.00 0.00 H new ATOM 0 HE3 LYS A 16 62.874 -10.732 6.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 65.122 -10.575 7.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 65.154 -10.456 6.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 65.344 -9.064 7.113 1.00 0.00 H new ATOM 238 N ARG A 17 61.287 -5.799 2.739 1.00 0.00 N ATOM 239 CA ARG A 17 60.441 -4.959 1.849 1.00 0.00 C ATOM 240 C ARG A 17 58.989 -5.436 1.914 1.00 0.00 C ATOM 241 O ARG A 17 58.631 -6.451 1.351 1.00 0.00 O ATOM 242 CB ARG A 17 60.948 -5.064 0.408 1.00 0.00 C ATOM 243 CG ARG A 17 61.070 -3.661 -0.191 1.00 0.00 C ATOM 244 CD ARG A 17 62.020 -3.696 -1.390 1.00 0.00 C ATOM 245 NE ARG A 17 61.596 -2.677 -2.391 1.00 0.00 N ATOM 246 CZ ARG A 17 60.477 -2.829 -3.047 1.00 0.00 C ATOM 247 NH1 ARG A 17 60.045 -4.027 -3.332 1.00 0.00 N ATOM 248 NH2 ARG A 17 59.791 -1.783 -3.419 1.00 0.00 N ATOM 0 H ARG A 17 61.687 -6.630 2.303 1.00 0.00 H new ATOM 0 HA ARG A 17 60.495 -3.922 2.179 1.00 0.00 H new ATOM 0 HB2 ARG A 17 61.915 -5.566 0.387 1.00 0.00 H new ATOM 0 HB3 ARG A 17 60.263 -5.667 -0.187 1.00 0.00 H new ATOM 0 HG2 ARG A 17 60.089 -3.301 -0.502 1.00 0.00 H new ATOM 0 HG3 ARG A 17 61.442 -2.965 0.561 1.00 0.00 H new ATOM 0 HD2 ARG A 17 63.041 -3.498 -1.064 1.00 0.00 H new ATOM 0 HD3 ARG A 17 62.016 -4.688 -1.841 1.00 0.00 H new ATOM 0 HE ARG A 17 62.181 -1.859 -2.564 1.00 0.00 H new ATOM 0 HH11 ARG A 17 60.581 -4.845 -3.042 1.00 0.00 H new ATOM 0 HH12 ARG A 17 59.171 -4.146 -3.844 1.00 0.00 H new ATOM 0 HH21 ARG A 17 60.129 -0.846 -3.197 1.00 0.00 H new ATOM 0 HH22 ARG A 17 58.917 -1.902 -3.931 1.00 0.00 H new ATOM 262 N ARG A 18 58.151 -4.705 2.594 1.00 0.00 N ATOM 263 CA ARG A 18 56.719 -5.103 2.693 1.00 0.00 C ATOM 264 C ARG A 18 55.912 -4.323 1.655 1.00 0.00 C ATOM 265 O ARG A 18 56.184 -3.170 1.387 1.00 0.00 O ATOM 266 CB ARG A 18 56.193 -4.781 4.093 1.00 0.00 C ATOM 267 CG ARG A 18 54.908 -5.570 4.350 1.00 0.00 C ATOM 268 CD ARG A 18 53.729 -4.602 4.466 1.00 0.00 C ATOM 269 NE ARG A 18 53.273 -4.544 5.883 1.00 0.00 N ATOM 270 CZ ARG A 18 52.183 -3.897 6.192 1.00 0.00 C ATOM 271 NH1 ARG A 18 51.809 -2.872 5.477 1.00 0.00 N ATOM 272 NH2 ARG A 18 51.466 -4.274 7.215 1.00 0.00 N ATOM 0 H ARG A 18 58.397 -3.847 3.087 1.00 0.00 H new ATOM 0 HA ARG A 18 56.622 -6.173 2.509 1.00 0.00 H new ATOM 0 HB2 ARG A 18 56.943 -5.034 4.842 1.00 0.00 H new ATOM 0 HB3 ARG A 18 56.000 -3.712 4.183 1.00 0.00 H new ATOM 0 HG2 ARG A 18 54.734 -6.276 3.538 1.00 0.00 H new ATOM 0 HG3 ARG A 18 55.004 -6.154 5.265 1.00 0.00 H new ATOM 0 HD2 ARG A 18 54.025 -3.609 4.127 1.00 0.00 H new ATOM 0 HD3 ARG A 18 52.912 -4.928 3.823 1.00 0.00 H new ATOM 0 HE ARG A 18 53.813 -5.010 6.612 1.00 0.00 H new ATOM 0 HH11 ARG A 18 52.369 -2.577 4.677 1.00 0.00 H new ATOM 0 HH12 ARG A 18 50.957 -2.366 5.718 1.00 0.00 H new ATOM 0 HH21 ARG A 18 51.757 -5.076 7.774 1.00 0.00 H new ATOM 0 HH22 ARG A 18 50.614 -3.767 7.455 1.00 0.00 H new ATOM 286 N GLU A 19 54.925 -4.936 1.062 1.00 0.00 N ATOM 287 CA GLU A 19 54.118 -4.212 0.039 1.00 0.00 C ATOM 288 C GLU A 19 52.631 -4.516 0.237 1.00 0.00 C ATOM 289 O GLU A 19 52.250 -5.625 0.554 1.00 0.00 O ATOM 290 CB GLU A 19 54.547 -4.664 -1.359 1.00 0.00 C ATOM 291 CG GLU A 19 54.048 -6.088 -1.612 1.00 0.00 C ATOM 292 CD GLU A 19 54.991 -6.795 -2.587 1.00 0.00 C ATOM 293 OE1 GLU A 19 55.065 -6.364 -3.726 1.00 0.00 O ATOM 294 OE2 GLU A 19 55.622 -7.756 -2.178 1.00 0.00 O ATOM 0 H GLU A 19 54.643 -5.900 1.239 1.00 0.00 H new ATOM 0 HA GLU A 19 54.282 -3.140 0.146 1.00 0.00 H new ATOM 0 HB2 GLU A 19 54.143 -3.987 -2.111 1.00 0.00 H new ATOM 0 HB3 GLU A 19 55.633 -4.627 -1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 19 53.999 -6.639 -0.673 1.00 0.00 H new ATOM 0 HG3 GLU A 19 53.038 -6.063 -2.020 1.00 0.00 H new ATOM 301 N VAL A 20 51.788 -3.537 0.045 1.00 0.00 N ATOM 302 CA VAL A 20 50.325 -3.767 0.214 1.00 0.00 C ATOM 303 C VAL A 20 49.592 -3.301 -1.047 1.00 0.00 C ATOM 304 O VAL A 20 50.197 -2.809 -1.978 1.00 0.00 O ATOM 305 CB VAL A 20 49.820 -2.979 1.424 1.00 0.00 C ATOM 306 CG1 VAL A 20 48.525 -3.610 1.938 1.00 0.00 C ATOM 307 CG2 VAL A 20 50.877 -3.012 2.531 1.00 0.00 C ATOM 0 H VAL A 20 52.050 -2.588 -0.222 1.00 0.00 H new ATOM 0 HA VAL A 20 50.137 -4.829 0.373 1.00 0.00 H new ATOM 0 HB VAL A 20 49.631 -1.946 1.132 1.00 0.00 H new ATOM 0 HG11 VAL A 20 48.164 -3.049 2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 20 47.772 -3.588 1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 20 48.715 -4.643 2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 20 50.518 -2.451 3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 20 51.066 -4.045 2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 20 51.801 -2.564 2.165 1.00 0.00 H new ATOM 478 N ASP A 32 50.572 1.040 -0.887 1.00 0.00 N ATOM 479 CA ASP A 32 51.474 1.575 0.170 1.00 0.00 C ATOM 480 C ASP A 32 52.525 0.519 0.511 1.00 0.00 C ATOM 481 O ASP A 32 52.203 -0.602 0.853 1.00 0.00 O ATOM 482 CB ASP A 32 50.659 1.907 1.423 1.00 0.00 C ATOM 483 CG ASP A 32 49.757 3.110 1.142 1.00 0.00 C ATOM 484 OD1 ASP A 32 49.785 3.598 0.025 1.00 0.00 O ATOM 485 OD2 ASP A 32 49.053 3.522 2.049 1.00 0.00 O ATOM 0 HA ASP A 32 51.963 2.480 -0.190 1.00 0.00 H new ATOM 0 HB2 ASP A 32 50.056 1.047 1.716 1.00 0.00 H new ATOM 0 HB3 ASP A 32 51.327 2.126 2.256 1.00 0.00 H new ATOM 490 N THR A 33 53.779 0.863 0.417 1.00 0.00 N ATOM 491 CA THR A 33 54.846 -0.125 0.734 1.00 0.00 C ATOM 492 C THR A 33 55.596 0.323 1.990 1.00 0.00 C ATOM 493 O THR A 33 55.894 1.488 2.165 1.00 0.00 O ATOM 494 CB THR A 33 55.820 -0.216 -0.446 1.00 0.00 C ATOM 495 OG1 THR A 33 55.211 -0.942 -1.503 1.00 0.00 O ATOM 496 CG2 THR A 33 57.102 -0.929 -0.009 1.00 0.00 C ATOM 0 H THR A 33 54.111 1.785 0.134 1.00 0.00 H new ATOM 0 HA THR A 33 54.400 -1.104 0.911 1.00 0.00 H new ATOM 0 HB THR A 33 56.068 0.789 -0.786 1.00 0.00 H new ATOM 0 HG1 THR A 33 55.903 -1.276 -2.112 1.00 0.00 H new ATOM 0 HG21 THR A 33 57.790 -0.990 -0.852 1.00 0.00 H new ATOM 0 HG22 THR A 33 57.571 -0.371 0.802 1.00 0.00 H new ATOM 0 HG23 THR A 33 56.860 -1.934 0.335 1.00 0.00 H new ATOM 504 N TYR A 34 55.903 -0.593 2.867 1.00 0.00 N ATOM 505 CA TYR A 34 56.635 -0.219 4.110 1.00 0.00 C ATOM 506 C TYR A 34 57.818 -1.165 4.306 1.00 0.00 C ATOM 507 O TYR A 34 57.788 -2.307 3.893 1.00 0.00 O ATOM 508 CB TYR A 34 55.697 -0.330 5.315 1.00 0.00 C ATOM 509 CG TYR A 34 54.460 0.498 5.071 1.00 0.00 C ATOM 510 CD1 TYR A 34 53.511 0.078 4.132 1.00 0.00 C ATOM 511 CD2 TYR A 34 54.260 1.686 5.785 1.00 0.00 C ATOM 512 CE1 TYR A 34 52.363 0.845 3.905 1.00 0.00 C ATOM 513 CE2 TYR A 34 53.111 2.454 5.559 1.00 0.00 C ATOM 514 CZ TYR A 34 52.163 2.033 4.618 1.00 0.00 C ATOM 515 OH TYR A 34 51.031 2.789 4.395 1.00 0.00 O ATOM 0 H TYR A 34 55.679 -1.584 2.777 1.00 0.00 H new ATOM 0 HA TYR A 34 56.993 0.807 4.022 1.00 0.00 H new ATOM 0 HB2 TYR A 34 55.423 -1.372 5.480 1.00 0.00 H new ATOM 0 HB3 TYR A 34 56.205 0.013 6.217 1.00 0.00 H new ATOM 0 HD1 TYR A 34 53.665 -0.839 3.582 1.00 0.00 H new ATOM 0 HD2 TYR A 34 54.992 2.010 6.510 1.00 0.00 H new ATOM 0 HE1 TYR A 34 51.631 0.521 3.180 1.00 0.00 H new ATOM 0 HE2 TYR A 34 52.956 3.370 6.110 1.00 0.00 H new ATOM 0 HH TYR A 34 51.047 3.581 4.972 1.00 0.00 H new ATOM 525 N TYR A 35 58.859 -0.701 4.939 1.00 0.00 N ATOM 526 CA TYR A 35 60.039 -1.576 5.168 1.00 0.00 C ATOM 527 C TYR A 35 60.315 -1.666 6.668 1.00 0.00 C ATOM 528 O TYR A 35 60.314 -0.674 7.369 1.00 0.00 O ATOM 529 CB TYR A 35 61.257 -0.989 4.457 1.00 0.00 C ATOM 530 CG TYR A 35 60.927 -0.764 3.001 1.00 0.00 C ATOM 531 CD1 TYR A 35 60.055 -1.636 2.345 1.00 0.00 C ATOM 532 CD2 TYR A 35 61.490 0.315 2.310 1.00 0.00 C ATOM 533 CE1 TYR A 35 59.743 -1.434 0.996 1.00 0.00 C ATOM 534 CE2 TYR A 35 61.179 0.519 0.959 1.00 0.00 C ATOM 535 CZ TYR A 35 60.305 -0.356 0.303 1.00 0.00 C ATOM 536 OH TYR A 35 59.998 -0.155 -1.027 1.00 0.00 O ATOM 0 H TYR A 35 58.942 0.247 5.307 1.00 0.00 H new ATOM 0 HA TYR A 35 59.838 -2.572 4.773 1.00 0.00 H new ATOM 0 HB2 TYR A 35 61.547 -0.048 4.925 1.00 0.00 H new ATOM 0 HB3 TYR A 35 62.107 -1.666 4.548 1.00 0.00 H new ATOM 0 HD1 TYR A 35 59.621 -2.468 2.880 1.00 0.00 H new ATOM 0 HD2 TYR A 35 62.163 0.990 2.818 1.00 0.00 H new ATOM 0 HE1 TYR A 35 59.069 -2.109 0.490 1.00 0.00 H new ATOM 0 HE2 TYR A 35 61.613 1.351 0.424 1.00 0.00 H new ATOM 0 HH TYR A 35 60.588 0.534 -1.398 1.00 0.00 H new ATOM 546 N GLN A 36 60.546 -2.847 7.169 1.00 0.00 N ATOM 547 CA GLN A 36 60.815 -2.995 8.626 1.00 0.00 C ATOM 548 C GLN A 36 62.239 -3.511 8.835 1.00 0.00 C ATOM 549 O GLN A 36 62.622 -4.537 8.309 1.00 0.00 O ATOM 550 CB GLN A 36 59.818 -3.985 9.228 1.00 0.00 C ATOM 551 CG GLN A 36 59.801 -3.834 10.749 1.00 0.00 C ATOM 552 CD GLN A 36 58.584 -4.565 11.319 1.00 0.00 C ATOM 553 OE1 GLN A 36 57.649 -4.864 10.602 1.00 0.00 O ATOM 554 NE2 GLN A 36 58.555 -4.868 12.588 1.00 0.00 N ATOM 0 H GLN A 36 60.560 -3.715 6.633 1.00 0.00 H new ATOM 0 HA GLN A 36 60.707 -2.027 9.116 1.00 0.00 H new ATOM 0 HB2 GLN A 36 58.822 -3.805 8.823 1.00 0.00 H new ATOM 0 HB3 GLN A 36 60.093 -5.004 8.957 1.00 0.00 H new ATOM 0 HG2 GLN A 36 60.717 -4.242 11.176 1.00 0.00 H new ATOM 0 HG3 GLN A 36 59.765 -2.779 11.020 1.00 0.00 H new ATOM 0 HE21 GLN A 36 59.339 -4.617 13.190 1.00 0.00 H new ATOM 0 HE22 GLN A 36 57.748 -5.355 12.978 1.00 0.00 H new ATOM 563 N SER A 37 63.027 -2.809 9.602 1.00 0.00 N ATOM 564 CA SER A 37 64.425 -3.260 9.847 1.00 0.00 C ATOM 565 C SER A 37 64.415 -4.434 10.831 1.00 0.00 C ATOM 566 O SER A 37 63.377 -4.804 11.341 1.00 0.00 O ATOM 567 CB SER A 37 65.236 -2.106 10.434 1.00 0.00 C ATOM 568 OG SER A 37 64.452 -0.921 10.410 1.00 0.00 O ATOM 0 H SER A 37 62.763 -1.942 10.070 1.00 0.00 H new ATOM 0 HA SER A 37 64.877 -3.578 8.907 1.00 0.00 H new ATOM 0 HB2 SER A 37 65.533 -2.338 11.457 1.00 0.00 H new ATOM 0 HB3 SER A 37 66.152 -1.962 9.861 1.00 0.00 H new ATOM 0 HG SER A 37 64.648 -0.416 9.593 1.00 0.00 H new ATOM 574 N PRO A 38 65.579 -4.986 11.066 1.00 0.00 N ATOM 575 CA PRO A 38 65.747 -6.127 11.984 1.00 0.00 C ATOM 576 C PRO A 38 65.712 -5.655 13.440 1.00 0.00 C ATOM 577 O PRO A 38 65.746 -6.447 14.360 1.00 0.00 O ATOM 578 CB PRO A 38 67.127 -6.680 11.618 1.00 0.00 C ATOM 579 CG PRO A 38 67.895 -5.523 10.936 1.00 0.00 C ATOM 580 CD PRO A 38 66.834 -4.524 10.438 1.00 0.00 C ATOM 0 HA PRO A 38 64.957 -6.872 11.892 1.00 0.00 H new ATOM 0 HB2 PRO A 38 67.655 -7.026 12.507 1.00 0.00 H new ATOM 0 HB3 PRO A 38 67.037 -7.535 10.948 1.00 0.00 H new ATOM 0 HG2 PRO A 38 68.578 -5.045 11.638 1.00 0.00 H new ATOM 0 HG3 PRO A 38 68.498 -5.894 10.107 1.00 0.00 H new ATOM 0 HD2 PRO A 38 67.076 -3.504 10.736 1.00 0.00 H new ATOM 0 HD3 PRO A 38 66.761 -4.530 9.350 1.00 0.00 H new ATOM 588 N THR A 39 65.643 -4.371 13.656 1.00 0.00 N ATOM 589 CA THR A 39 65.604 -3.851 15.052 1.00 0.00 C ATOM 590 C THR A 39 64.167 -3.469 15.416 1.00 0.00 C ATOM 591 O THR A 39 63.893 -3.023 16.512 1.00 0.00 O ATOM 592 CB THR A 39 66.504 -2.618 15.161 1.00 0.00 C ATOM 593 OG1 THR A 39 66.458 -2.114 16.489 1.00 0.00 O ATOM 594 CG2 THR A 39 66.019 -1.543 14.188 1.00 0.00 C ATOM 0 H THR A 39 65.612 -3.659 12.926 1.00 0.00 H new ATOM 0 HA THR A 39 65.958 -4.622 15.737 1.00 0.00 H new ATOM 0 HB THR A 39 67.529 -2.894 14.913 1.00 0.00 H new ATOM 0 HG1 THR A 39 65.627 -2.404 16.920 1.00 0.00 H new ATOM 0 HG21 THR A 39 66.660 -0.665 14.266 1.00 0.00 H new ATOM 0 HG22 THR A 39 66.057 -1.930 13.170 1.00 0.00 H new ATOM 0 HG23 THR A 39 64.994 -1.266 14.433 1.00 0.00 H new ATOM 602 N GLY A 40 63.247 -3.636 14.504 1.00 0.00 N ATOM 603 CA GLY A 40 61.831 -3.279 14.800 1.00 0.00 C ATOM 604 C GLY A 40 61.554 -1.861 14.303 1.00 0.00 C ATOM 605 O GLY A 40 60.614 -1.218 14.724 1.00 0.00 O ATOM 0 H GLY A 40 63.415 -4.004 13.568 1.00 0.00 H new ATOM 0 HA2 GLY A 40 61.157 -3.985 14.315 1.00 0.00 H new ATOM 0 HA3 GLY A 40 61.644 -3.344 15.872 1.00 0.00 H new ATOM 609 N ASP A 41 62.366 -1.368 13.409 1.00 0.00 N ATOM 610 CA ASP A 41 62.148 0.009 12.886 1.00 0.00 C ATOM 611 C ASP A 41 61.138 -0.039 11.740 1.00 0.00 C ATOM 612 O ASP A 41 61.366 -0.664 10.723 1.00 0.00 O ATOM 613 CB ASP A 41 63.473 0.578 12.377 1.00 0.00 C ATOM 614 CG ASP A 41 63.911 1.733 13.280 1.00 0.00 C ATOM 615 OD1 ASP A 41 63.196 2.720 13.336 1.00 0.00 O ATOM 616 OD2 ASP A 41 64.955 1.611 13.900 1.00 0.00 O ATOM 0 H ASP A 41 63.170 -1.859 13.019 1.00 0.00 H new ATOM 0 HA ASP A 41 61.764 0.646 13.683 1.00 0.00 H new ATOM 0 HB2 ASP A 41 64.236 -0.200 12.368 1.00 0.00 H new ATOM 0 HB3 ASP A 41 63.361 0.927 11.350 1.00 0.00 H new ATOM 621 N ARG A 42 60.021 0.614 11.899 1.00 0.00 N ATOM 622 CA ARG A 42 58.991 0.606 10.822 1.00 0.00 C ATOM 623 C ARG A 42 58.989 1.958 10.106 1.00 0.00 C ATOM 624 O ARG A 42 58.537 2.953 10.638 1.00 0.00 O ATOM 625 CB ARG A 42 57.612 0.354 11.439 1.00 0.00 C ATOM 626 CG ARG A 42 57.323 -1.149 11.458 1.00 0.00 C ATOM 627 CD ARG A 42 56.819 -1.553 12.845 1.00 0.00 C ATOM 628 NE ARG A 42 55.358 -1.274 12.945 1.00 0.00 N ATOM 629 CZ ARG A 42 54.931 -0.042 13.025 1.00 0.00 C ATOM 630 NH1 ARG A 42 55.612 0.843 13.701 1.00 0.00 N ATOM 631 NH2 ARG A 42 53.821 0.303 12.430 1.00 0.00 N ATOM 0 H ARG A 42 59.776 1.154 12.729 1.00 0.00 H new ATOM 0 HA ARG A 42 59.220 -0.183 10.106 1.00 0.00 H new ATOM 0 HB2 ARG A 42 57.578 0.754 12.453 1.00 0.00 H new ATOM 0 HB3 ARG A 42 56.845 0.874 10.865 1.00 0.00 H new ATOM 0 HG2 ARG A 42 56.578 -1.397 10.702 1.00 0.00 H new ATOM 0 HG3 ARG A 42 58.226 -1.707 11.210 1.00 0.00 H new ATOM 0 HD2 ARG A 42 57.010 -2.612 13.019 1.00 0.00 H new ATOM 0 HD3 ARG A 42 57.359 -1.001 13.615 1.00 0.00 H new ATOM 0 HE ARG A 42 54.691 -2.046 12.951 1.00 0.00 H new ATOM 0 HH11 ARG A 42 56.478 0.573 14.167 1.00 0.00 H new ATOM 0 HH12 ARG A 42 55.278 1.805 13.763 1.00 0.00 H new ATOM 0 HH21 ARG A 42 53.288 -0.389 11.903 1.00 0.00 H new ATOM 0 HH22 ARG A 42 53.487 1.265 12.492 1.00 0.00 H new ATOM 645 N ILE A 43 59.492 2.002 8.903 1.00 0.00 N ATOM 646 CA ILE A 43 59.520 3.289 8.153 1.00 0.00 C ATOM 647 C ILE A 43 58.728 3.138 6.852 1.00 0.00 C ATOM 648 O ILE A 43 58.600 2.056 6.314 1.00 0.00 O ATOM 649 CB ILE A 43 60.969 3.652 7.826 1.00 0.00 C ATOM 650 CG1 ILE A 43 61.825 3.503 9.087 1.00 0.00 C ATOM 651 CG2 ILE A 43 61.038 5.097 7.330 1.00 0.00 C ATOM 652 CD1 ILE A 43 62.849 2.385 8.880 1.00 0.00 C ATOM 0 H ILE A 43 59.885 1.202 8.407 1.00 0.00 H new ATOM 0 HA ILE A 43 59.074 4.076 8.761 1.00 0.00 H new ATOM 0 HB ILE A 43 61.344 2.986 7.048 1.00 0.00 H new ATOM 0 HG12 ILE A 43 62.335 4.441 9.306 1.00 0.00 H new ATOM 0 HG13 ILE A 43 61.192 3.276 9.945 1.00 0.00 H new ATOM 0 HG21 ILE A 43 62.072 5.353 7.098 1.00 0.00 H new ATOM 0 HG22 ILE A 43 60.428 5.203 6.433 1.00 0.00 H new ATOM 0 HG23 ILE A 43 60.664 5.766 8.105 1.00 0.00 H new ATOM 0 HD11 ILE A 43 63.458 2.279 9.778 1.00 0.00 H new ATOM 0 HD12 ILE A 43 62.329 1.448 8.681 1.00 0.00 H new ATOM 0 HD13 ILE A 43 63.490 2.631 8.033 1.00 0.00 H new ATOM 664 N ARG A 44 58.196 4.214 6.339 1.00 0.00 N ATOM 665 CA ARG A 44 57.416 4.129 5.071 1.00 0.00 C ATOM 666 C ARG A 44 58.041 5.054 4.025 1.00 0.00 C ATOM 667 O ARG A 44 57.915 4.835 2.837 1.00 0.00 O ATOM 668 CB ARG A 44 55.972 4.557 5.327 1.00 0.00 C ATOM 669 CG ARG A 44 55.966 5.928 6.001 1.00 0.00 C ATOM 670 CD ARG A 44 54.543 6.275 6.440 1.00 0.00 C ATOM 671 NE ARG A 44 54.530 7.633 7.052 1.00 0.00 N ATOM 672 CZ ARG A 44 53.662 8.521 6.649 1.00 0.00 C ATOM 673 NH1 ARG A 44 52.383 8.287 6.771 1.00 0.00 N ATOM 674 NH2 ARG A 44 54.072 9.643 6.124 1.00 0.00 N ATOM 0 H ARG A 44 58.268 5.148 6.743 1.00 0.00 H new ATOM 0 HA ARG A 44 57.431 3.102 4.707 1.00 0.00 H new ATOM 0 HB2 ARG A 44 55.420 4.598 4.388 1.00 0.00 H new ATOM 0 HB3 ARG A 44 55.470 3.825 5.960 1.00 0.00 H new ATOM 0 HG2 ARG A 44 56.633 5.924 6.863 1.00 0.00 H new ATOM 0 HG3 ARG A 44 56.340 6.685 5.312 1.00 0.00 H new ATOM 0 HD2 ARG A 44 53.869 6.244 5.584 1.00 0.00 H new ATOM 0 HD3 ARG A 44 54.182 5.538 7.157 1.00 0.00 H new ATOM 0 HE ARG A 44 55.199 7.869 7.785 1.00 0.00 H new ATOM 0 HH11 ARG A 44 52.062 7.410 7.181 1.00 0.00 H new ATOM 0 HH12 ARG A 44 51.705 8.981 6.456 1.00 0.00 H new ATOM 0 HH21 ARG A 44 55.071 9.826 6.028 1.00 0.00 H new ATOM 0 HH22 ARG A 44 53.394 10.337 5.809 1.00 0.00 H new ATOM 688 N SER A 45 58.715 6.086 4.455 1.00 0.00 N ATOM 689 CA SER A 45 59.349 7.016 3.479 1.00 0.00 C ATOM 690 C SER A 45 60.700 6.440 3.046 1.00 0.00 C ATOM 691 O SER A 45 61.431 5.881 3.839 1.00 0.00 O ATOM 692 CB SER A 45 59.548 8.385 4.130 1.00 0.00 C ATOM 693 OG SER A 45 60.780 8.941 3.691 1.00 0.00 O ATOM 0 H SER A 45 58.853 6.324 5.437 1.00 0.00 H new ATOM 0 HA SER A 45 58.707 7.131 2.606 1.00 0.00 H new ATOM 0 HB2 SER A 45 58.723 9.048 3.868 1.00 0.00 H new ATOM 0 HB3 SER A 45 59.546 8.288 5.216 1.00 0.00 H new ATOM 0 HG SER A 45 60.616 9.813 3.275 1.00 0.00 H new ATOM 699 N LYS A 46 61.025 6.553 1.788 1.00 0.00 N ATOM 700 CA LYS A 46 62.316 5.991 1.294 1.00 0.00 C ATOM 701 C LYS A 46 63.507 6.751 1.888 1.00 0.00 C ATOM 702 O LYS A 46 64.417 6.155 2.427 1.00 0.00 O ATOM 703 CB LYS A 46 62.360 6.086 -0.233 1.00 0.00 C ATOM 704 CG LYS A 46 62.165 7.540 -0.667 1.00 0.00 C ATOM 705 CD LYS A 46 61.840 7.588 -2.160 1.00 0.00 C ATOM 706 CE LYS A 46 62.674 8.680 -2.830 1.00 0.00 C ATOM 707 NZ LYS A 46 62.552 8.559 -4.310 1.00 0.00 N ATOM 0 H LYS A 46 60.452 7.011 1.079 1.00 0.00 H new ATOM 0 HA LYS A 46 62.382 4.948 1.605 1.00 0.00 H new ATOM 0 HB2 LYS A 46 63.315 5.711 -0.603 1.00 0.00 H new ATOM 0 HB3 LYS A 46 61.582 5.459 -0.668 1.00 0.00 H new ATOM 0 HG2 LYS A 46 61.358 7.997 -0.094 1.00 0.00 H new ATOM 0 HG3 LYS A 46 63.067 8.116 -0.462 1.00 0.00 H new ATOM 0 HD2 LYS A 46 62.050 6.622 -2.620 1.00 0.00 H new ATOM 0 HD3 LYS A 46 60.778 7.786 -2.305 1.00 0.00 H new ATOM 0 HE2 LYS A 46 62.334 9.663 -2.505 1.00 0.00 H new ATOM 0 HE3 LYS A 46 63.718 8.590 -2.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 63.391 8.975 -4.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 62.480 7.555 -4.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 61.700 9.062 -4.630 1.00 0.00 H new ATOM 721 N VAL A 47 63.528 8.052 1.785 1.00 0.00 N ATOM 722 CA VAL A 47 64.686 8.813 2.339 1.00 0.00 C ATOM 723 C VAL A 47 64.594 8.866 3.865 1.00 0.00 C ATOM 724 O VAL A 47 65.585 9.034 4.546 1.00 0.00 O ATOM 725 CB VAL A 47 64.694 10.232 1.773 1.00 0.00 C ATOM 726 CG1 VAL A 47 65.922 10.981 2.293 1.00 0.00 C ATOM 727 CG2 VAL A 47 64.749 10.163 0.244 1.00 0.00 C ATOM 0 H VAL A 47 62.801 8.617 1.346 1.00 0.00 H new ATOM 0 HA VAL A 47 65.610 8.309 2.055 1.00 0.00 H new ATOM 0 HB VAL A 47 63.791 10.757 2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 47 65.928 11.994 1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 47 65.888 11.024 3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 47 66.826 10.460 1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 47 64.755 11.173 -0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 47 65.655 9.641 -0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 47 63.876 9.626 -0.128 1.00 0.00 H new ATOM 737 N GLU A 48 63.422 8.712 4.415 1.00 0.00 N ATOM 738 CA GLU A 48 63.304 8.741 5.899 1.00 0.00 C ATOM 739 C GLU A 48 64.054 7.537 6.463 1.00 0.00 C ATOM 740 O GLU A 48 64.883 7.660 7.343 1.00 0.00 O ATOM 741 CB GLU A 48 61.834 8.664 6.308 1.00 0.00 C ATOM 742 CG GLU A 48 61.205 10.055 6.212 1.00 0.00 C ATOM 743 CD GLU A 48 59.776 10.010 6.756 1.00 0.00 C ATOM 744 OE1 GLU A 48 59.626 9.878 7.960 1.00 0.00 O ATOM 745 OE2 GLU A 48 58.857 10.109 5.960 1.00 0.00 O ATOM 0 H GLU A 48 62.549 8.569 3.907 1.00 0.00 H new ATOM 0 HA GLU A 48 63.727 9.668 6.287 1.00 0.00 H new ATOM 0 HB2 GLU A 48 61.301 7.967 5.661 1.00 0.00 H new ATOM 0 HB3 GLU A 48 61.748 8.284 7.326 1.00 0.00 H new ATOM 0 HG2 GLU A 48 61.798 10.773 6.778 1.00 0.00 H new ATOM 0 HG3 GLU A 48 61.200 10.392 5.176 1.00 0.00 H new ATOM 752 N LEU A 49 63.779 6.370 5.947 1.00 0.00 N ATOM 753 CA LEU A 49 64.483 5.157 6.437 1.00 0.00 C ATOM 754 C LEU A 49 65.926 5.187 5.929 1.00 0.00 C ATOM 755 O LEU A 49 66.844 4.784 6.614 1.00 0.00 O ATOM 756 CB LEU A 49 63.774 3.908 5.916 1.00 0.00 C ATOM 757 CG LEU A 49 63.849 3.872 4.392 1.00 0.00 C ATOM 758 CD1 LEU A 49 65.060 3.043 3.961 1.00 0.00 C ATOM 759 CD2 LEU A 49 62.573 3.239 3.835 1.00 0.00 C ATOM 0 H LEU A 49 63.096 6.207 5.207 1.00 0.00 H new ATOM 0 HA LEU A 49 64.477 5.137 7.527 1.00 0.00 H new ATOM 0 HB2 LEU A 49 64.237 3.014 6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 49 62.733 3.908 6.239 1.00 0.00 H new ATOM 0 HG LEU A 49 63.949 4.887 4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 49 65.114 3.017 2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 49 65.969 3.493 4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 49 64.961 2.027 4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 49 62.625 3.213 2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 49 62.473 2.223 4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 49 61.710 3.829 4.143 1.00 0.00 H new ATOM 771 N THR A 50 66.138 5.680 4.737 1.00 0.00 N ATOM 772 CA THR A 50 67.526 5.752 4.205 1.00 0.00 C ATOM 773 C THR A 50 68.349 6.614 5.162 1.00 0.00 C ATOM 774 O THR A 50 69.489 6.324 5.463 1.00 0.00 O ATOM 775 CB THR A 50 67.499 6.359 2.787 1.00 0.00 C ATOM 776 OG1 THR A 50 68.387 5.631 1.952 1.00 0.00 O ATOM 777 CG2 THR A 50 67.917 7.837 2.801 1.00 0.00 C ATOM 0 H THR A 50 65.413 6.034 4.113 1.00 0.00 H new ATOM 0 HA THR A 50 67.975 4.761 4.135 1.00 0.00 H new ATOM 0 HB THR A 50 66.479 6.297 2.408 1.00 0.00 H new ATOM 0 HG1 THR A 50 69.158 5.331 2.477 1.00 0.00 H new ATOM 0 HG21 THR A 50 67.887 8.233 1.786 1.00 0.00 H new ATOM 0 HG22 THR A 50 67.232 8.403 3.432 1.00 0.00 H new ATOM 0 HG23 THR A 50 68.929 7.925 3.195 1.00 0.00 H new ATOM 785 N ARG A 51 67.755 7.667 5.653 1.00 0.00 N ATOM 786 CA ARG A 51 68.467 8.552 6.607 1.00 0.00 C ATOM 787 C ARG A 51 68.647 7.796 7.920 1.00 0.00 C ATOM 788 O ARG A 51 69.544 8.065 8.693 1.00 0.00 O ATOM 789 CB ARG A 51 67.626 9.806 6.851 1.00 0.00 C ATOM 790 CG ARG A 51 68.006 10.879 5.832 1.00 0.00 C ATOM 791 CD ARG A 51 69.295 11.561 6.285 1.00 0.00 C ATOM 792 NE ARG A 51 69.482 12.830 5.526 1.00 0.00 N ATOM 793 CZ ARG A 51 70.647 13.420 5.511 1.00 0.00 C ATOM 794 NH1 ARG A 51 71.638 12.931 6.207 1.00 0.00 N ATOM 795 NH2 ARG A 51 70.820 14.501 4.799 1.00 0.00 N ATOM 0 H ARG A 51 66.801 7.951 5.430 1.00 0.00 H new ATOM 0 HA ARG A 51 69.438 8.842 6.206 1.00 0.00 H new ATOM 0 HB2 ARG A 51 66.566 9.568 6.767 1.00 0.00 H new ATOM 0 HB3 ARG A 51 67.790 10.176 7.863 1.00 0.00 H new ATOM 0 HG2 ARG A 51 68.143 10.432 4.848 1.00 0.00 H new ATOM 0 HG3 ARG A 51 67.204 11.612 5.740 1.00 0.00 H new ATOM 0 HD2 ARG A 51 69.253 11.768 7.354 1.00 0.00 H new ATOM 0 HD3 ARG A 51 70.145 10.899 6.122 1.00 0.00 H new ATOM 0 HE ARG A 51 68.698 13.239 5.017 1.00 0.00 H new ATOM 0 HH11 ARG A 51 71.503 12.087 6.763 1.00 0.00 H new ATOM 0 HH12 ARG A 51 72.547 13.393 6.194 1.00 0.00 H new ATOM 0 HH21 ARG A 51 70.046 14.883 4.256 1.00 0.00 H new ATOM 0 HH22 ARG A 51 71.729 14.963 4.786 1.00 0.00 H new ATOM 809 N TYR A 52 67.790 6.845 8.170 1.00 0.00 N ATOM 810 CA TYR A 52 67.890 6.055 9.425 1.00 0.00 C ATOM 811 C TYR A 52 69.111 5.131 9.347 1.00 0.00 C ATOM 812 O TYR A 52 69.996 5.190 10.177 1.00 0.00 O ATOM 813 CB TYR A 52 66.608 5.228 9.593 1.00 0.00 C ATOM 814 CG TYR A 52 66.826 4.123 10.598 1.00 0.00 C ATOM 815 CD1 TYR A 52 67.402 4.410 11.840 1.00 0.00 C ATOM 816 CD2 TYR A 52 66.447 2.811 10.287 1.00 0.00 C ATOM 817 CE1 TYR A 52 67.599 3.385 12.772 1.00 0.00 C ATOM 818 CE2 TYR A 52 66.644 1.786 11.219 1.00 0.00 C ATOM 819 CZ TYR A 52 67.221 2.072 12.462 1.00 0.00 C ATOM 820 OH TYR A 52 67.417 1.063 13.382 1.00 0.00 O ATOM 0 H TYR A 52 67.021 6.581 7.554 1.00 0.00 H new ATOM 0 HA TYR A 52 68.006 6.720 10.281 1.00 0.00 H new ATOM 0 HB2 TYR A 52 65.792 5.872 9.921 1.00 0.00 H new ATOM 0 HB3 TYR A 52 66.313 4.803 8.634 1.00 0.00 H new ATOM 0 HD1 TYR A 52 67.694 5.422 12.079 1.00 0.00 H new ATOM 0 HD2 TYR A 52 66.003 2.590 9.328 1.00 0.00 H new ATOM 0 HE1 TYR A 52 68.043 3.606 13.731 1.00 0.00 H new ATOM 0 HE2 TYR A 52 66.351 0.774 10.979 1.00 0.00 H new ATOM 0 HH TYR A 52 66.766 1.152 14.109 1.00 0.00 H new ATOM 830 N LEU A 53 69.171 4.281 8.355 1.00 0.00 N ATOM 831 CA LEU A 53 70.344 3.365 8.234 1.00 0.00 C ATOM 832 C LEU A 53 71.601 4.190 7.947 1.00 0.00 C ATOM 833 O LEU A 53 72.664 3.922 8.469 1.00 0.00 O ATOM 834 CB LEU A 53 70.126 2.366 7.090 1.00 0.00 C ATOM 835 CG LEU A 53 68.635 2.071 6.925 1.00 0.00 C ATOM 836 CD1 LEU A 53 68.120 2.768 5.664 1.00 0.00 C ATOM 837 CD2 LEU A 53 68.428 0.560 6.794 1.00 0.00 C ATOM 0 H LEU A 53 68.463 4.182 7.627 1.00 0.00 H new ATOM 0 HA LEU A 53 70.461 2.815 9.168 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.529 2.771 6.162 1.00 0.00 H new ATOM 0 HB3 LEU A 53 70.667 1.442 7.296 1.00 0.00 H new ATOM 0 HG LEU A 53 68.089 2.438 7.794 1.00 0.00 H new ATOM 0 HD11 LEU A 53 67.057 2.561 5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 53 68.272 3.844 5.755 1.00 0.00 H new ATOM 0 HD13 LEU A 53 68.664 2.397 4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 53 67.365 0.347 6.676 1.00 0.00 H new ATOM 0 HD22 LEU A 53 68.970 0.193 5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 53 68.801 0.063 7.690 1.00 0.00 H new ATOM 849 N GLY A 54 71.488 5.193 7.117 1.00 0.00 N ATOM 850 CA GLY A 54 72.677 6.034 6.795 1.00 0.00 C ATOM 851 C GLY A 54 72.919 6.016 5.284 1.00 0.00 C ATOM 852 O GLY A 54 72.003 5.809 4.513 1.00 0.00 O ATOM 0 H GLY A 54 70.624 5.466 6.649 1.00 0.00 H new ATOM 0 HA2 GLY A 54 72.516 7.057 7.136 1.00 0.00 H new ATOM 0 HA3 GLY A 54 73.555 5.657 7.319 1.00 0.00 H new ATOM 856 N PRO A 55 74.153 6.232 4.906 1.00 0.00 N ATOM 857 CA PRO A 55 74.557 6.245 3.489 1.00 0.00 C ATOM 858 C PRO A 55 74.671 4.814 2.955 1.00 0.00 C ATOM 859 O PRO A 55 74.345 4.540 1.816 1.00 0.00 O ATOM 860 CB PRO A 55 75.922 6.936 3.511 1.00 0.00 C ATOM 861 CG PRO A 55 76.472 6.773 4.948 1.00 0.00 C ATOM 862 CD PRO A 55 75.260 6.481 5.853 1.00 0.00 C ATOM 0 HA PRO A 55 73.842 6.752 2.841 1.00 0.00 H new ATOM 0 HB2 PRO A 55 76.597 6.485 2.784 1.00 0.00 H new ATOM 0 HB3 PRO A 55 75.828 7.990 3.248 1.00 0.00 H new ATOM 0 HG2 PRO A 55 77.196 5.960 4.996 1.00 0.00 H new ATOM 0 HG3 PRO A 55 76.987 7.678 5.271 1.00 0.00 H new ATOM 0 HD2 PRO A 55 75.439 5.617 6.492 1.00 0.00 H new ATOM 0 HD3 PRO A 55 75.041 7.323 6.509 1.00 0.00 H new ATOM 870 N ALA A 56 75.126 3.899 3.767 1.00 0.00 N ATOM 871 CA ALA A 56 75.252 2.490 3.301 1.00 0.00 C ATOM 872 C ALA A 56 73.984 2.095 2.543 1.00 0.00 C ATOM 873 O ALA A 56 74.035 1.421 1.533 1.00 0.00 O ATOM 874 CB ALA A 56 75.433 1.566 4.507 1.00 0.00 C ATOM 0 H ALA A 56 75.415 4.066 4.731 1.00 0.00 H new ATOM 0 HA ALA A 56 76.116 2.399 2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 56 75.525 0.535 4.165 1.00 0.00 H new ATOM 0 HB2 ALA A 56 76.334 1.850 5.051 1.00 0.00 H new ATOM 0 HB3 ALA A 56 74.569 1.654 5.166 1.00 0.00 H new ATOM 880 N CYS A 57 72.844 2.515 3.022 1.00 0.00 N ATOM 881 CA CYS A 57 71.569 2.172 2.331 1.00 0.00 C ATOM 882 C CYS A 57 70.934 3.453 1.791 1.00 0.00 C ATOM 883 O CYS A 57 70.081 4.048 2.420 1.00 0.00 O ATOM 884 CB CYS A 57 70.613 1.507 3.324 1.00 0.00 C ATOM 885 SG CYS A 57 70.750 -0.291 3.181 1.00 0.00 S ATOM 0 H CYS A 57 72.741 3.082 3.864 1.00 0.00 H new ATOM 0 HA CYS A 57 71.769 1.485 1.508 1.00 0.00 H new ATOM 0 HB2 CYS A 57 70.851 1.821 4.340 1.00 0.00 H new ATOM 0 HB3 CYS A 57 69.588 1.821 3.125 1.00 0.00 H new ATOM 0 HG CYS A 57 69.940 -0.856 4.026 1.00 0.00 H new ATOM 891 N ASP A 58 71.348 3.889 0.633 1.00 0.00 N ATOM 892 CA ASP A 58 70.775 5.138 0.057 1.00 0.00 C ATOM 893 C ASP A 58 69.397 4.850 -0.543 1.00 0.00 C ATOM 894 O ASP A 58 69.032 3.714 -0.775 1.00 0.00 O ATOM 895 CB ASP A 58 71.704 5.668 -1.037 1.00 0.00 C ATOM 896 CG ASP A 58 72.807 6.519 -0.406 1.00 0.00 C ATOM 897 OD1 ASP A 58 72.533 7.166 0.591 1.00 0.00 O ATOM 898 OD2 ASP A 58 73.909 6.509 -0.931 1.00 0.00 O ATOM 0 H ASP A 58 72.059 3.434 0.060 1.00 0.00 H new ATOM 0 HA ASP A 58 70.675 5.883 0.846 1.00 0.00 H new ATOM 0 HB2 ASP A 58 72.143 4.837 -1.589 1.00 0.00 H new ATOM 0 HB3 ASP A 58 71.137 6.263 -1.753 1.00 0.00 H new ATOM 903 N LEU A 59 68.631 5.876 -0.795 1.00 0.00 N ATOM 904 CA LEU A 59 67.276 5.678 -1.380 1.00 0.00 C ATOM 905 C LEU A 59 66.808 6.985 -2.024 1.00 0.00 C ATOM 906 O LEU A 59 65.627 7.221 -2.186 1.00 0.00 O ATOM 907 CB LEU A 59 66.301 5.287 -0.272 1.00 0.00 C ATOM 908 CG LEU A 59 66.352 3.777 -0.058 1.00 0.00 C ATOM 909 CD1 LEU A 59 67.066 3.469 1.261 1.00 0.00 C ATOM 910 CD2 LEU A 59 64.924 3.232 -0.006 1.00 0.00 C ATOM 0 H LEU A 59 68.888 6.848 -0.620 1.00 0.00 H new ATOM 0 HA LEU A 59 67.313 4.890 -2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 59 66.558 5.805 0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 59 65.289 5.593 -0.538 1.00 0.00 H new ATOM 0 HG LEU A 59 66.896 3.308 -0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 59 67.101 2.390 1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 59 68.081 3.864 1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 59 66.524 3.933 2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 59 64.952 2.153 0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 59 64.385 3.701 0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 59 64.416 3.453 -0.945 1.00 0.00 H new ATOM 922 N THR A 60 67.726 7.838 -2.386 1.00 0.00 N ATOM 923 CA THR A 60 67.340 9.134 -3.012 1.00 0.00 C ATOM 924 C THR A 60 66.461 8.880 -4.239 1.00 0.00 C ATOM 925 O THR A 60 65.426 9.493 -4.411 1.00 0.00 O ATOM 926 CB THR A 60 68.603 9.882 -3.445 1.00 0.00 C ATOM 927 OG1 THR A 60 69.600 9.748 -2.442 1.00 0.00 O ATOM 928 CG2 THR A 60 68.277 11.361 -3.651 1.00 0.00 C ATOM 0 H THR A 60 68.730 7.693 -2.275 1.00 0.00 H new ATOM 0 HA THR A 60 66.784 9.730 -2.288 1.00 0.00 H new ATOM 0 HB THR A 60 68.972 9.461 -4.380 1.00 0.00 H new ATOM 0 HG1 THR A 60 70.410 10.225 -2.720 1.00 0.00 H new ATOM 0 HG21 THR A 60 69.177 11.893 -3.959 1.00 0.00 H new ATOM 0 HG22 THR A 60 67.514 11.461 -4.423 1.00 0.00 H new ATOM 0 HG23 THR A 60 67.907 11.785 -2.718 1.00 0.00 H new ATOM 936 N LEU A 61 66.871 7.990 -5.098 1.00 0.00 N ATOM 937 CA LEU A 61 66.068 7.707 -6.320 1.00 0.00 C ATOM 938 C LEU A 61 65.321 6.385 -6.158 1.00 0.00 C ATOM 939 O LEU A 61 64.664 5.918 -7.067 1.00 0.00 O ATOM 940 CB LEU A 61 67.007 7.618 -7.524 1.00 0.00 C ATOM 941 CG LEU A 61 67.353 9.027 -8.018 1.00 0.00 C ATOM 942 CD1 LEU A 61 66.193 9.568 -8.855 1.00 0.00 C ATOM 943 CD2 LEU A 61 67.595 9.957 -6.822 1.00 0.00 C ATOM 0 H LEU A 61 67.729 7.445 -5.007 1.00 0.00 H new ATOM 0 HA LEU A 61 65.344 8.507 -6.472 1.00 0.00 H new ATOM 0 HB2 LEU A 61 67.917 7.086 -7.248 1.00 0.00 H new ATOM 0 HB3 LEU A 61 66.534 7.048 -8.324 1.00 0.00 H new ATOM 0 HG LEU A 61 68.257 8.983 -8.625 1.00 0.00 H new ATOM 0 HD11 LEU A 61 66.436 10.570 -9.208 1.00 0.00 H new ATOM 0 HD12 LEU A 61 66.025 8.913 -9.710 1.00 0.00 H new ATOM 0 HD13 LEU A 61 65.291 9.607 -8.244 1.00 0.00 H new ATOM 0 HD21 LEU A 61 67.840 10.956 -7.182 1.00 0.00 H new ATOM 0 HD22 LEU A 61 66.695 10.003 -6.209 1.00 0.00 H new ATOM 0 HD23 LEU A 61 68.422 9.573 -6.224 1.00 0.00 H new ATOM 955 N PHE A 62 65.418 5.774 -5.013 1.00 0.00 N ATOM 956 CA PHE A 62 64.715 4.481 -4.808 1.00 0.00 C ATOM 957 C PHE A 62 63.202 4.689 -4.907 1.00 0.00 C ATOM 958 O PHE A 62 62.655 5.632 -4.373 1.00 0.00 O ATOM 959 CB PHE A 62 65.073 3.916 -3.432 1.00 0.00 C ATOM 960 CG PHE A 62 64.132 2.784 -3.095 1.00 0.00 C ATOM 961 CD1 PHE A 62 64.342 1.513 -3.644 1.00 0.00 C ATOM 962 CD2 PHE A 62 63.046 3.009 -2.243 1.00 0.00 C ATOM 963 CE1 PHE A 62 63.465 0.466 -3.338 1.00 0.00 C ATOM 964 CE2 PHE A 62 62.168 1.963 -1.938 1.00 0.00 C ATOM 965 CZ PHE A 62 62.377 0.692 -2.485 1.00 0.00 C ATOM 0 H PHE A 62 65.952 6.113 -4.213 1.00 0.00 H new ATOM 0 HA PHE A 62 65.027 3.776 -5.579 1.00 0.00 H new ATOM 0 HB2 PHE A 62 66.103 3.560 -3.429 1.00 0.00 H new ATOM 0 HB3 PHE A 62 65.004 4.698 -2.676 1.00 0.00 H new ATOM 0 HD1 PHE A 62 65.180 1.341 -4.303 1.00 0.00 H new ATOM 0 HD2 PHE A 62 62.885 3.990 -1.821 1.00 0.00 H new ATOM 0 HE1 PHE A 62 63.627 -0.515 -3.759 1.00 0.00 H new ATOM 0 HE2 PHE A 62 61.329 2.137 -1.280 1.00 0.00 H new ATOM 0 HZ PHE A 62 61.699 -0.115 -2.249 1.00 0.00 H new ATOM 975 N ASP A 63 62.525 3.802 -5.585 1.00 0.00 N ATOM 976 CA ASP A 63 61.048 3.929 -5.721 1.00 0.00 C ATOM 977 C ASP A 63 60.375 3.107 -4.623 1.00 0.00 C ATOM 978 O ASP A 63 60.487 1.898 -4.583 1.00 0.00 O ATOM 979 CB ASP A 63 60.616 3.406 -7.092 1.00 0.00 C ATOM 980 CG ASP A 63 60.354 4.587 -8.029 1.00 0.00 C ATOM 981 OD1 ASP A 63 61.168 5.495 -8.048 1.00 0.00 O ATOM 982 OD2 ASP A 63 59.343 4.563 -8.711 1.00 0.00 O ATOM 0 H ASP A 63 62.934 2.993 -6.052 1.00 0.00 H new ATOM 0 HA ASP A 63 60.756 4.975 -5.628 1.00 0.00 H new ATOM 0 HB2 ASP A 63 61.391 2.763 -7.508 1.00 0.00 H new ATOM 0 HB3 ASP A 63 59.716 2.799 -6.994 1.00 0.00 H new ATOM 987 N PHE A 64 59.685 3.752 -3.724 1.00 0.00 N ATOM 988 CA PHE A 64 59.016 3.007 -2.622 1.00 0.00 C ATOM 989 C PHE A 64 57.776 2.286 -3.161 1.00 0.00 C ATOM 990 O PHE A 64 56.664 2.549 -2.747 1.00 0.00 O ATOM 991 CB PHE A 64 58.603 3.989 -1.525 1.00 0.00 C ATOM 992 CG PHE A 64 58.879 3.379 -0.171 1.00 0.00 C ATOM 993 CD1 PHE A 64 58.335 2.132 0.162 1.00 0.00 C ATOM 994 CD2 PHE A 64 59.679 4.062 0.752 1.00 0.00 C ATOM 995 CE1 PHE A 64 58.593 1.570 1.419 1.00 0.00 C ATOM 996 CE2 PHE A 64 59.937 3.500 2.007 1.00 0.00 C ATOM 997 CZ PHE A 64 59.394 2.254 2.341 1.00 0.00 C ATOM 0 H PHE A 64 59.556 4.764 -3.705 1.00 0.00 H new ATOM 0 HA PHE A 64 59.707 2.270 -2.211 1.00 0.00 H new ATOM 0 HB2 PHE A 64 59.153 4.924 -1.633 1.00 0.00 H new ATOM 0 HB3 PHE A 64 57.544 4.230 -1.618 1.00 0.00 H new ATOM 0 HD1 PHE A 64 57.717 1.604 -0.550 1.00 0.00 H new ATOM 0 HD2 PHE A 64 60.098 5.024 0.495 1.00 0.00 H new ATOM 0 HE1 PHE A 64 58.174 0.609 1.677 1.00 0.00 H new ATOM 0 HE2 PHE A 64 60.555 4.028 2.718 1.00 0.00 H new ATOM 0 HZ PHE A 64 59.593 1.820 3.310 1.00 0.00 H new ATOM 1007 N LYS A 65 57.960 1.374 -4.075 1.00 0.00 N ATOM 1008 CA LYS A 65 56.797 0.628 -4.637 1.00 0.00 C ATOM 1009 C LYS A 65 57.295 -0.352 -5.700 1.00 0.00 C ATOM 1010 O LYS A 65 56.817 -1.464 -5.807 1.00 0.00 O ATOM 1011 CB LYS A 65 55.799 1.611 -5.259 1.00 0.00 C ATOM 1012 CG LYS A 65 56.353 2.147 -6.581 1.00 0.00 C ATOM 1013 CD LYS A 65 55.447 3.267 -7.094 1.00 0.00 C ATOM 1014 CE LYS A 65 56.282 4.285 -7.872 1.00 0.00 C ATOM 1015 NZ LYS A 65 55.387 5.098 -8.742 1.00 0.00 N ATOM 0 H LYS A 65 58.868 1.112 -4.459 1.00 0.00 H new ATOM 0 HA LYS A 65 56.297 0.077 -3.840 1.00 0.00 H new ATOM 0 HB2 LYS A 65 54.844 1.114 -5.429 1.00 0.00 H new ATOM 0 HB3 LYS A 65 55.611 2.436 -4.572 1.00 0.00 H new ATOM 0 HG2 LYS A 65 57.367 2.521 -6.438 1.00 0.00 H new ATOM 0 HG3 LYS A 65 56.410 1.344 -7.316 1.00 0.00 H new ATOM 0 HD2 LYS A 65 54.668 2.854 -7.735 1.00 0.00 H new ATOM 0 HD3 LYS A 65 54.946 3.755 -6.258 1.00 0.00 H new ATOM 0 HE2 LYS A 65 56.822 4.932 -7.181 1.00 0.00 H new ATOM 0 HE3 LYS A 65 57.029 3.772 -8.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 55.954 5.791 -9.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 54.891 4.474 -9.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 54.691 5.598 -8.153 1.00 0.00 H new ATOM 1029 N GLN A 66 58.262 0.048 -6.480 1.00 0.00 N ATOM 1030 CA GLN A 66 58.799 -0.866 -7.526 1.00 0.00 C ATOM 1031 C GLN A 66 60.017 -1.604 -6.965 1.00 0.00 C ATOM 1032 O GLN A 66 60.426 -2.628 -7.475 1.00 0.00 O ATOM 1033 CB GLN A 66 59.211 -0.055 -8.757 1.00 0.00 C ATOM 1034 CG GLN A 66 58.166 -0.235 -9.860 1.00 0.00 C ATOM 1035 CD GLN A 66 57.924 1.104 -10.556 1.00 0.00 C ATOM 1036 OE1 GLN A 66 58.877 1.996 -10.578 1.00 0.00 O flip ATOM 1037 NE2 GLN A 66 56.857 1.343 -11.086 1.00 0.00 N flip ATOM 0 H GLN A 66 58.702 0.967 -6.438 1.00 0.00 H new ATOM 0 HA GLN A 66 58.033 -1.586 -7.814 1.00 0.00 H new ATOM 0 HB2 GLN A 66 59.303 1.000 -8.497 1.00 0.00 H new ATOM 0 HB3 GLN A 66 60.189 -0.382 -9.111 1.00 0.00 H new ATOM 0 HG2 GLN A 66 58.508 -0.976 -10.583 1.00 0.00 H new ATOM 0 HG3 GLN A 66 57.235 -0.610 -9.436 1.00 0.00 H new ATOM 0 HE21 GLN A 66 56.112 0.647 -11.069 1.00 0.00 H new ATOM 0 HE22 GLN A 66 56.706 2.240 -11.548 1.00 0.00 H new ATOM 1046 N GLY A 67 60.594 -1.092 -5.911 1.00 0.00 N ATOM 1047 CA GLY A 67 61.781 -1.759 -5.304 1.00 0.00 C ATOM 1048 C GLY A 67 63.007 -1.549 -6.193 1.00 0.00 C ATOM 1049 O GLY A 67 63.781 -2.458 -6.422 1.00 0.00 O ATOM 0 H GLY A 67 60.293 -0.237 -5.443 1.00 0.00 H new ATOM 0 HA2 GLY A 67 61.968 -1.353 -4.310 1.00 0.00 H new ATOM 0 HA3 GLY A 67 61.588 -2.825 -5.182 1.00 0.00 H new ATOM 1053 N ILE A 68 63.195 -0.359 -6.696 1.00 0.00 N ATOM 1054 CA ILE A 68 64.377 -0.100 -7.567 1.00 0.00 C ATOM 1055 C ILE A 68 64.953 1.280 -7.249 1.00 0.00 C ATOM 1056 O ILE A 68 64.605 1.893 -6.262 1.00 0.00 O ATOM 1057 CB ILE A 68 63.948 -0.151 -9.034 1.00 0.00 C ATOM 1058 CG1 ILE A 68 62.870 0.906 -9.284 1.00 0.00 C ATOM 1059 CG2 ILE A 68 63.386 -1.537 -9.352 1.00 0.00 C ATOM 1060 CD1 ILE A 68 63.424 1.998 -10.201 1.00 0.00 C ATOM 0 H ILE A 68 62.583 0.443 -6.542 1.00 0.00 H new ATOM 0 HA ILE A 68 65.137 -0.859 -7.385 1.00 0.00 H new ATOM 0 HB ILE A 68 64.808 0.047 -9.673 1.00 0.00 H new ATOM 0 HG12 ILE A 68 61.993 0.445 -9.739 1.00 0.00 H new ATOM 0 HG13 ILE A 68 62.547 1.341 -8.338 1.00 0.00 H new ATOM 0 HG21 ILE A 68 63.080 -1.574 -10.397 1.00 0.00 H new ATOM 0 HG22 ILE A 68 64.152 -2.291 -9.171 1.00 0.00 H new ATOM 0 HG23 ILE A 68 62.524 -1.735 -8.714 1.00 0.00 H new ATOM 0 HD11 ILE A 68 62.655 2.750 -10.378 1.00 0.00 H new ATOM 0 HD12 ILE A 68 64.287 2.467 -9.728 1.00 0.00 H new ATOM 0 HD13 ILE A 68 63.725 1.557 -11.151 1.00 0.00 H new ATOM 1072 N LEU A 69 65.830 1.771 -8.083 1.00 0.00 N ATOM 1073 CA LEU A 69 66.434 3.112 -7.845 1.00 0.00 C ATOM 1074 C LEU A 69 67.416 3.418 -8.974 1.00 0.00 C ATOM 1075 O LEU A 69 67.623 2.614 -9.861 1.00 0.00 O ATOM 1076 CB LEU A 69 67.181 3.120 -6.508 1.00 0.00 C ATOM 1077 CG LEU A 69 68.358 2.150 -6.574 1.00 0.00 C ATOM 1078 CD1 LEU A 69 69.605 2.817 -5.990 1.00 0.00 C ATOM 1079 CD2 LEU A 69 68.021 0.902 -5.760 1.00 0.00 C ATOM 0 H LEU A 69 66.156 1.296 -8.925 1.00 0.00 H new ATOM 0 HA LEU A 69 65.647 3.866 -7.817 1.00 0.00 H new ATOM 0 HB2 LEU A 69 67.537 4.126 -6.285 1.00 0.00 H new ATOM 0 HB3 LEU A 69 66.506 2.835 -5.701 1.00 0.00 H new ATOM 0 HG LEU A 69 68.549 1.875 -7.611 1.00 0.00 H new ATOM 0 HD11 LEU A 69 70.445 2.124 -6.038 1.00 0.00 H new ATOM 0 HD12 LEU A 69 69.841 3.713 -6.564 1.00 0.00 H new ATOM 0 HD13 LEU A 69 69.419 3.090 -4.951 1.00 0.00 H new ATOM 0 HD21 LEU A 69 68.857 0.204 -5.802 1.00 0.00 H new ATOM 0 HD22 LEU A 69 67.835 1.183 -4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 69 67.131 0.428 -6.173 1.00 0.00 H new ATOM 1091 N CYS A 70 68.026 4.570 -8.956 1.00 0.00 N ATOM 1092 CA CYS A 70 68.992 4.906 -10.038 1.00 0.00 C ATOM 1093 C CYS A 70 69.918 6.034 -9.578 1.00 0.00 C ATOM 1094 O CYS A 70 69.677 6.681 -8.577 1.00 0.00 O ATOM 1095 CB CYS A 70 68.224 5.348 -11.287 1.00 0.00 C ATOM 1096 SG CYS A 70 68.874 4.476 -12.735 1.00 0.00 S ATOM 0 H CYS A 70 67.899 5.289 -8.244 1.00 0.00 H new ATOM 0 HA CYS A 70 69.592 4.026 -10.271 1.00 0.00 H new ATOM 0 HB2 CYS A 70 67.162 5.136 -11.168 1.00 0.00 H new ATOM 0 HB3 CYS A 70 68.320 6.425 -11.424 1.00 0.00 H new ATOM 0 HG CYS A 70 68.221 4.849 -13.795 1.00 0.00 H new