USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=13 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 Set 1.1: A 37 SER OG : rot 122:sc= -5.61! USER MOD Set 1.2: A 52 TYR OH : rot -11:sc= -3.14! USER MOD Single : A 8 CYS SG : rot 158:sc= -4.76! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 144:sc= 0.436 USER MOD Single : A 36 GLN : amide:sc= 0.0876 K(o=0.088,f=-1.9) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -106:sc=-0.00498 (180deg=-0.419) USER MOD Single : A 50 THR OG1 : rot 2:sc= -8.97! USER MOD Single : A 57 CYS SG : rot 110:sc= -0.153 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 70 CYS SG : rot 37:sc= 0.409 USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 62.570 9.159 7.965 1.00 0.00 N ATOM 56 CA TRP A 5 63.409 8.747 6.805 1.00 0.00 C ATOM 57 C TRP A 5 64.718 8.134 7.305 1.00 0.00 C ATOM 58 O TRP A 5 65.498 8.777 7.979 1.00 0.00 O ATOM 59 CB TRP A 5 63.719 9.971 5.942 1.00 0.00 C ATOM 60 CG TRP A 5 62.441 10.615 5.509 1.00 0.00 C ATOM 61 CD1 TRP A 5 61.763 11.549 6.215 1.00 0.00 C ATOM 62 CD2 TRP A 5 61.679 10.391 4.288 1.00 0.00 C ATOM 63 NE1 TRP A 5 60.634 11.915 5.503 1.00 0.00 N ATOM 64 CE2 TRP A 5 60.538 11.228 4.309 1.00 0.00 C ATOM 65 CE3 TRP A 5 61.865 9.552 3.175 1.00 0.00 C ATOM 66 CZ2 TRP A 5 59.615 11.232 3.262 1.00 0.00 C ATOM 67 CZ3 TRP A 5 60.939 9.554 2.120 1.00 0.00 C ATOM 68 CH2 TRP A 5 59.816 10.392 2.164 1.00 0.00 C ATOM 0 HA TRP A 5 62.868 8.008 6.214 1.00 0.00 H new ATOM 0 HB2 TRP A 5 64.324 10.682 6.505 1.00 0.00 H new ATOM 0 HB3 TRP A 5 64.303 9.676 5.070 1.00 0.00 H new ATOM 0 HD1 TRP A 5 62.055 11.944 7.177 1.00 0.00 H new ATOM 0 HE1 TRP A 5 59.956 12.607 5.821 1.00 0.00 H new ATOM 0 HE3 TRP A 5 62.726 8.902 3.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 58.752 11.880 3.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 61.093 8.906 1.270 1.00 0.00 H new ATOM 0 HH2 TRP A 5 59.107 10.388 1.350 1.00 0.00 H new ATOM 79 N LEU A 6 64.966 6.896 6.978 1.00 0.00 N ATOM 80 CA LEU A 6 66.226 6.245 7.432 1.00 0.00 C ATOM 81 C LEU A 6 66.906 5.565 6.243 1.00 0.00 C ATOM 82 O LEU A 6 66.256 5.089 5.333 1.00 0.00 O ATOM 83 CB LEU A 6 65.903 5.199 8.500 1.00 0.00 C ATOM 84 CG LEU A 6 64.710 4.358 8.046 1.00 0.00 C ATOM 85 CD1 LEU A 6 65.067 2.873 8.128 1.00 0.00 C ATOM 86 CD2 LEU A 6 63.515 4.646 8.956 1.00 0.00 C ATOM 0 H LEU A 6 64.351 6.307 6.416 1.00 0.00 H new ATOM 0 HA LEU A 6 66.893 6.998 7.850 1.00 0.00 H new ATOM 0 HB2 LEU A 6 66.769 4.559 8.671 1.00 0.00 H new ATOM 0 HB3 LEU A 6 65.677 5.689 9.447 1.00 0.00 H new ATOM 0 HG LEU A 6 64.457 4.611 7.016 1.00 0.00 H new ATOM 0 HD11 LEU A 6 64.215 2.276 7.804 1.00 0.00 H new ATOM 0 HD12 LEU A 6 65.921 2.668 7.482 1.00 0.00 H new ATOM 0 HD13 LEU A 6 65.320 2.616 9.157 1.00 0.00 H new ATOM 0 HD21 LEU A 6 62.662 4.048 8.636 1.00 0.00 H new ATOM 0 HD22 LEU A 6 63.771 4.391 9.984 1.00 0.00 H new ATOM 0 HD23 LEU A 6 63.259 5.704 8.897 1.00 0.00 H new ATOM 98 N ASP A 7 68.210 5.514 6.245 1.00 0.00 N ATOM 99 CA ASP A 7 68.930 4.862 5.115 1.00 0.00 C ATOM 100 C ASP A 7 68.228 3.550 4.765 1.00 0.00 C ATOM 101 O ASP A 7 67.822 2.803 5.632 1.00 0.00 O ATOM 102 CB ASP A 7 70.375 4.574 5.527 1.00 0.00 C ATOM 103 CG ASP A 7 71.182 4.142 4.301 1.00 0.00 C ATOM 104 OD1 ASP A 7 70.707 4.357 3.198 1.00 0.00 O ATOM 105 OD2 ASP A 7 72.261 3.604 4.486 1.00 0.00 O ATOM 0 H ASP A 7 68.807 5.895 6.979 1.00 0.00 H new ATOM 0 HA ASP A 7 68.928 5.523 4.248 1.00 0.00 H new ATOM 0 HB2 ASP A 7 70.821 5.463 5.973 1.00 0.00 H new ATOM 0 HB3 ASP A 7 70.399 3.791 6.285 1.00 0.00 H new ATOM 110 N CYS A 8 68.077 3.264 3.502 1.00 0.00 N ATOM 111 CA CYS A 8 67.397 2.000 3.107 1.00 0.00 C ATOM 112 C CYS A 8 68.445 0.971 2.666 1.00 0.00 C ATOM 113 O CYS A 8 68.993 1.080 1.587 1.00 0.00 O ATOM 114 CB CYS A 8 66.447 2.272 1.941 1.00 0.00 C ATOM 115 SG CYS A 8 65.781 0.700 1.341 1.00 0.00 S ATOM 0 H CYS A 8 68.394 3.849 2.729 1.00 0.00 H new ATOM 0 HA CYS A 8 66.835 1.614 3.958 1.00 0.00 H new ATOM 0 HB2 CYS A 8 65.636 2.926 2.261 1.00 0.00 H new ATOM 0 HB3 CYS A 8 66.974 2.788 1.139 1.00 0.00 H new ATOM 0 HG CYS A 8 64.667 0.915 0.706 1.00 0.00 H new ATOM 121 N PRO A 9 68.689 -0.002 3.506 1.00 0.00 N ATOM 122 CA PRO A 9 69.664 -1.067 3.215 1.00 0.00 C ATOM 123 C PRO A 9 69.058 -2.079 2.239 1.00 0.00 C ATOM 124 O PRO A 9 69.757 -2.725 1.484 1.00 0.00 O ATOM 125 CB PRO A 9 69.924 -1.703 4.582 1.00 0.00 C ATOM 126 CG PRO A 9 68.699 -1.361 5.463 1.00 0.00 C ATOM 127 CD PRO A 9 68.020 -0.137 4.817 1.00 0.00 C ATOM 0 HA PRO A 9 70.579 -0.703 2.748 1.00 0.00 H new ATOM 0 HB2 PRO A 9 70.048 -2.782 4.491 1.00 0.00 H new ATOM 0 HB3 PRO A 9 70.841 -1.313 5.024 1.00 0.00 H new ATOM 0 HG2 PRO A 9 68.010 -2.204 5.513 1.00 0.00 H new ATOM 0 HG3 PRO A 9 69.006 -1.139 6.485 1.00 0.00 H new ATOM 0 HD2 PRO A 9 66.947 -0.291 4.703 1.00 0.00 H new ATOM 0 HD3 PRO A 9 68.151 0.758 5.425 1.00 0.00 H new ATOM 135 N ALA A 10 67.759 -2.216 2.247 1.00 0.00 N ATOM 136 CA ALA A 10 67.105 -3.178 1.318 1.00 0.00 C ATOM 137 C ALA A 10 67.704 -3.021 -0.081 1.00 0.00 C ATOM 138 O ALA A 10 68.230 -3.956 -0.651 1.00 0.00 O ATOM 139 CB ALA A 10 65.605 -2.892 1.264 1.00 0.00 C ATOM 0 H ALA A 10 67.124 -1.702 2.858 1.00 0.00 H new ATOM 0 HA ALA A 10 67.269 -4.196 1.672 1.00 0.00 H new ATOM 0 HB1 ALA A 10 65.125 -3.596 0.584 1.00 0.00 H new ATOM 0 HB2 ALA A 10 65.178 -3.001 2.261 1.00 0.00 H new ATOM 0 HB3 ALA A 10 65.441 -1.875 0.909 1.00 0.00 H new ATOM 145 N LEU A 11 67.628 -1.842 -0.638 1.00 0.00 N ATOM 146 CA LEU A 11 68.193 -1.622 -1.999 1.00 0.00 C ATOM 147 C LEU A 11 69.659 -1.205 -1.877 1.00 0.00 C ATOM 148 O LEU A 11 70.545 -1.849 -2.404 1.00 0.00 O ATOM 149 CB LEU A 11 67.411 -0.512 -2.709 1.00 0.00 C ATOM 150 CG LEU A 11 65.953 -0.528 -2.247 1.00 0.00 C ATOM 151 CD1 LEU A 11 65.116 0.359 -3.173 1.00 0.00 C ATOM 152 CD2 LEU A 11 65.421 -1.962 -2.299 1.00 0.00 C ATOM 0 H LEU A 11 67.199 -1.022 -0.209 1.00 0.00 H new ATOM 0 HA LEU A 11 68.118 -2.545 -2.574 1.00 0.00 H new ATOM 0 HB2 LEU A 11 67.860 0.457 -2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 11 67.461 -0.653 -3.789 1.00 0.00 H new ATOM 0 HG LEU A 11 65.889 -0.151 -1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 11 64.077 0.349 -2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 11 65.497 1.380 -3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 11 65.178 -0.019 -4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 11 64.382 -1.977 -1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 11 65.484 -2.336 -3.321 1.00 0.00 H new ATOM 0 HD23 LEU A 11 66.018 -2.596 -1.643 1.00 0.00 H new ATOM 164 N GLY A 12 69.921 -0.130 -1.185 1.00 0.00 N ATOM 165 CA GLY A 12 71.328 0.332 -1.029 1.00 0.00 C ATOM 166 C GLY A 12 71.338 1.818 -0.659 1.00 0.00 C ATOM 167 O GLY A 12 70.396 2.314 -0.073 1.00 0.00 O ATOM 0 H GLY A 12 69.221 0.448 -0.721 1.00 0.00 H new ATOM 0 HA2 GLY A 12 71.830 -0.250 -0.256 1.00 0.00 H new ATOM 0 HA3 GLY A 12 71.879 0.173 -1.956 1.00 0.00 H new ATOM 171 N PRO A 13 72.406 2.485 -1.016 1.00 0.00 N ATOM 172 CA PRO A 13 72.573 3.923 -0.738 1.00 0.00 C ATOM 173 C PRO A 13 71.759 4.756 -1.733 1.00 0.00 C ATOM 174 O PRO A 13 71.332 4.270 -2.761 1.00 0.00 O ATOM 175 CB PRO A 13 74.075 4.153 -0.933 1.00 0.00 C ATOM 176 CG PRO A 13 74.577 3.007 -1.843 1.00 0.00 C ATOM 177 CD PRO A 13 73.544 1.869 -1.728 1.00 0.00 C ATOM 0 HA PRO A 13 72.228 4.212 0.255 1.00 0.00 H new ATOM 0 HB2 PRO A 13 74.263 5.124 -1.391 1.00 0.00 H new ATOM 0 HB3 PRO A 13 74.597 4.146 0.024 1.00 0.00 H new ATOM 0 HG2 PRO A 13 74.669 3.344 -2.876 1.00 0.00 H new ATOM 0 HG3 PRO A 13 75.564 2.667 -1.530 1.00 0.00 H new ATOM 0 HD2 PRO A 13 73.247 1.500 -2.710 1.00 0.00 H new ATOM 0 HD3 PRO A 13 73.947 1.020 -1.176 1.00 0.00 H new ATOM 185 N GLY A 14 71.543 6.009 -1.437 1.00 0.00 N ATOM 186 CA GLY A 14 70.759 6.871 -2.367 1.00 0.00 C ATOM 187 C GLY A 14 69.271 6.532 -2.255 1.00 0.00 C ATOM 188 O GLY A 14 68.459 6.996 -3.031 1.00 0.00 O ATOM 0 H GLY A 14 71.875 6.473 -0.592 1.00 0.00 H new ATOM 0 HA2 GLY A 14 70.921 7.922 -2.128 1.00 0.00 H new ATOM 0 HA3 GLY A 14 71.100 6.721 -3.391 1.00 0.00 H new ATOM 192 N TRP A 15 68.905 5.727 -1.296 1.00 0.00 N ATOM 193 CA TRP A 15 67.469 5.360 -1.136 1.00 0.00 C ATOM 194 C TRP A 15 67.052 5.557 0.323 1.00 0.00 C ATOM 195 O TRP A 15 67.667 5.033 1.230 1.00 0.00 O ATOM 196 CB TRP A 15 67.271 3.895 -1.527 1.00 0.00 C ATOM 197 CG TRP A 15 65.862 3.686 -1.983 1.00 0.00 C ATOM 198 CD1 TRP A 15 64.993 2.805 -1.438 1.00 0.00 C ATOM 199 CD2 TRP A 15 65.146 4.351 -3.063 1.00 0.00 C ATOM 200 NE1 TRP A 15 63.791 2.886 -2.115 1.00 0.00 N ATOM 201 CE2 TRP A 15 63.835 3.824 -3.124 1.00 0.00 C ATOM 202 CE3 TRP A 15 65.502 5.349 -3.986 1.00 0.00 C ATOM 203 CZ2 TRP A 15 62.911 4.270 -4.066 1.00 0.00 C ATOM 204 CZ3 TRP A 15 64.573 5.801 -4.937 1.00 0.00 C ATOM 205 CH2 TRP A 15 63.280 5.262 -4.977 1.00 0.00 C ATOM 0 H TRP A 15 69.538 5.307 -0.616 1.00 0.00 H new ATOM 0 HA TRP A 15 66.858 5.994 -1.778 1.00 0.00 H new ATOM 0 HB2 TRP A 15 67.966 3.623 -2.322 1.00 0.00 H new ATOM 0 HB3 TRP A 15 67.489 3.248 -0.677 1.00 0.00 H new ATOM 0 HD1 TRP A 15 65.204 2.146 -0.609 1.00 0.00 H new ATOM 0 HE1 TRP A 15 62.971 2.321 -1.895 1.00 0.00 H new ATOM 0 HE3 TRP A 15 66.496 5.771 -3.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 61.916 3.851 -4.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 64.857 6.569 -5.642 1.00 0.00 H new ATOM 0 HH2 TRP A 15 62.570 5.613 -5.711 1.00 0.00 H new ATOM 216 N LYS A 16 66.010 6.308 0.557 1.00 0.00 N ATOM 217 CA LYS A 16 65.559 6.534 1.958 1.00 0.00 C ATOM 218 C LYS A 16 64.281 5.736 2.220 1.00 0.00 C ATOM 219 O LYS A 16 63.274 5.924 1.565 1.00 0.00 O ATOM 220 CB LYS A 16 65.280 8.024 2.171 1.00 0.00 C ATOM 221 CG LYS A 16 66.554 8.825 1.896 1.00 0.00 C ATOM 222 CD LYS A 16 67.237 9.172 3.221 1.00 0.00 C ATOM 223 CE LYS A 16 67.736 10.617 3.174 1.00 0.00 C ATOM 224 NZ LYS A 16 68.398 10.956 4.465 1.00 0.00 N ATOM 0 H LYS A 16 65.453 6.773 -0.160 1.00 0.00 H new ATOM 0 HA LYS A 16 66.339 6.207 2.646 1.00 0.00 H new ATOM 0 HB2 LYS A 16 64.480 8.354 1.508 1.00 0.00 H new ATOM 0 HB3 LYS A 16 64.941 8.199 3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 16 67.231 8.247 1.267 1.00 0.00 H new ATOM 0 HG3 LYS A 16 66.312 9.737 1.350 1.00 0.00 H new ATOM 0 HD2 LYS A 16 66.538 9.044 4.047 1.00 0.00 H new ATOM 0 HD3 LYS A 16 68.071 8.494 3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 16 68.437 10.744 2.349 1.00 0.00 H new ATOM 0 HE3 LYS A 16 66.902 11.295 2.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 68.738 11.939 4.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 67.716 10.850 5.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 69.203 10.316 4.621 1.00 0.00 H new ATOM 238 N ARG A 17 64.317 4.845 3.176 1.00 0.00 N ATOM 239 CA ARG A 17 63.108 4.034 3.487 1.00 0.00 C ATOM 240 C ARG A 17 62.249 4.778 4.512 1.00 0.00 C ATOM 241 O ARG A 17 62.660 5.000 5.634 1.00 0.00 O ATOM 242 CB ARG A 17 63.533 2.682 4.068 1.00 0.00 C ATOM 243 CG ARG A 17 62.494 1.618 3.703 1.00 0.00 C ATOM 244 CD ARG A 17 63.202 0.318 3.312 1.00 0.00 C ATOM 245 NE ARG A 17 64.411 0.138 4.159 1.00 0.00 N ATOM 246 CZ ARG A 17 64.285 -0.042 5.446 1.00 0.00 C ATOM 247 NH1 ARG A 17 63.276 -0.725 5.913 1.00 0.00 N ATOM 248 NH2 ARG A 17 65.165 0.463 6.265 1.00 0.00 N ATOM 0 H ARG A 17 65.133 4.645 3.754 1.00 0.00 H new ATOM 0 HA ARG A 17 62.534 3.873 2.574 1.00 0.00 H new ATOM 0 HB2 ARG A 17 64.511 2.399 3.679 1.00 0.00 H new ATOM 0 HB3 ARG A 17 63.630 2.754 5.151 1.00 0.00 H new ATOM 0 HG2 ARG A 17 61.828 1.441 4.548 1.00 0.00 H new ATOM 0 HG3 ARG A 17 61.875 1.969 2.877 1.00 0.00 H new ATOM 0 HD2 ARG A 17 62.527 -0.528 3.438 1.00 0.00 H new ATOM 0 HD3 ARG A 17 63.483 0.347 2.259 1.00 0.00 H new ATOM 0 HE ARG A 17 65.338 0.155 3.735 1.00 0.00 H new ATOM 0 HH11 ARG A 17 62.586 -1.118 5.273 1.00 0.00 H new ATOM 0 HH12 ARG A 17 63.177 -0.866 6.918 1.00 0.00 H new ATOM 0 HH21 ARG A 17 65.952 0.999 5.900 1.00 0.00 H new ATOM 0 HH22 ARG A 17 65.066 0.322 7.270 1.00 0.00 H new ATOM 262 N ARG A 18 61.060 5.166 4.139 1.00 0.00 N ATOM 263 CA ARG A 18 60.179 5.894 5.097 1.00 0.00 C ATOM 264 C ARG A 18 59.166 4.917 5.698 1.00 0.00 C ATOM 265 O ARG A 18 58.518 4.169 4.994 1.00 0.00 O ATOM 266 CB ARG A 18 59.436 7.012 4.363 1.00 0.00 C ATOM 267 CG ARG A 18 59.054 8.110 5.358 1.00 0.00 C ATOM 268 CD ARG A 18 57.578 8.468 5.182 1.00 0.00 C ATOM 269 NE ARG A 18 57.287 8.678 3.736 1.00 0.00 N ATOM 270 CZ ARG A 18 56.100 9.069 3.356 1.00 0.00 C ATOM 271 NH1 ARG A 18 55.206 9.412 4.244 1.00 0.00 N ATOM 272 NH2 ARG A 18 55.807 9.116 2.085 1.00 0.00 N ATOM 0 H ARG A 18 60.661 5.011 3.213 1.00 0.00 H new ATOM 0 HA ARG A 18 60.786 6.326 5.893 1.00 0.00 H new ATOM 0 HB2 ARG A 18 60.065 7.424 3.574 1.00 0.00 H new ATOM 0 HB3 ARG A 18 58.542 6.615 3.883 1.00 0.00 H new ATOM 0 HG2 ARG A 18 59.238 7.771 6.378 1.00 0.00 H new ATOM 0 HG3 ARG A 18 59.674 8.992 5.198 1.00 0.00 H new ATOM 0 HD2 ARG A 18 56.950 7.670 5.578 1.00 0.00 H new ATOM 0 HD3 ARG A 18 57.342 9.370 5.746 1.00 0.00 H new ATOM 0 HE ARG A 18 58.016 8.516 3.041 1.00 0.00 H new ATOM 0 HH11 ARG A 18 55.434 9.375 5.238 1.00 0.00 H new ATOM 0 HH12 ARG A 18 54.280 9.717 3.944 1.00 0.00 H new ATOM 0 HH21 ARG A 18 56.504 8.848 1.391 1.00 0.00 H new ATOM 0 HH22 ARG A 18 54.881 9.421 1.786 1.00 0.00 H new ATOM 286 N GLU A 19 59.023 4.918 6.995 1.00 0.00 N ATOM 287 CA GLU A 19 58.050 3.990 7.638 1.00 0.00 C ATOM 288 C GLU A 19 56.956 4.803 8.330 1.00 0.00 C ATOM 289 O GLU A 19 57.214 5.555 9.249 1.00 0.00 O ATOM 290 CB GLU A 19 58.771 3.124 8.672 1.00 0.00 C ATOM 291 CG GLU A 19 59.174 3.985 9.870 1.00 0.00 C ATOM 292 CD GLU A 19 58.137 3.825 10.983 1.00 0.00 C ATOM 293 OE1 GLU A 19 57.203 3.065 10.789 1.00 0.00 O ATOM 294 OE2 GLU A 19 58.295 4.463 12.011 1.00 0.00 O ATOM 0 H GLU A 19 59.538 5.521 7.637 1.00 0.00 H new ATOM 0 HA GLU A 19 57.604 3.349 6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 19 58.121 2.311 8.997 1.00 0.00 H new ATOM 0 HB3 GLU A 19 59.654 2.667 8.226 1.00 0.00 H new ATOM 0 HG2 GLU A 19 60.159 3.688 10.230 1.00 0.00 H new ATOM 0 HG3 GLU A 19 59.246 5.031 9.572 1.00 0.00 H new ATOM 301 N VAL A 20 55.735 4.658 7.898 1.00 0.00 N ATOM 302 CA VAL A 20 54.626 5.420 8.532 1.00 0.00 C ATOM 303 C VAL A 20 53.687 4.444 9.240 1.00 0.00 C ATOM 304 O VAL A 20 52.683 4.032 8.698 1.00 0.00 O ATOM 305 CB VAL A 20 53.856 6.186 7.455 1.00 0.00 C ATOM 306 CG1 VAL A 20 52.934 7.213 8.116 1.00 0.00 C ATOM 307 CG2 VAL A 20 54.846 6.908 6.538 1.00 0.00 C ATOM 0 H VAL A 20 55.458 4.044 7.132 1.00 0.00 H new ATOM 0 HA VAL A 20 55.031 6.126 9.257 1.00 0.00 H new ATOM 0 HB VAL A 20 53.259 5.486 6.870 1.00 0.00 H new ATOM 0 HG11 VAL A 20 52.386 7.758 7.347 1.00 0.00 H new ATOM 0 HG12 VAL A 20 52.229 6.701 8.770 1.00 0.00 H new ATOM 0 HG13 VAL A 20 53.530 7.913 8.702 1.00 0.00 H new ATOM 0 HG21 VAL A 20 54.299 7.454 5.770 1.00 0.00 H new ATOM 0 HG22 VAL A 20 55.442 7.607 7.125 1.00 0.00 H new ATOM 0 HG23 VAL A 20 55.503 6.178 6.065 1.00 0.00 H new ATOM 478 N ASP A 32 52.898 1.189 6.761 1.00 0.00 N ATOM 479 CA ASP A 32 53.183 1.418 5.316 1.00 0.00 C ATOM 480 C ASP A 32 54.632 1.888 5.158 1.00 0.00 C ATOM 481 O ASP A 32 55.184 2.527 6.032 1.00 0.00 O ATOM 482 CB ASP A 32 52.233 2.488 4.771 1.00 0.00 C ATOM 483 CG ASP A 32 51.056 1.814 4.064 1.00 0.00 C ATOM 484 OD1 ASP A 32 51.303 0.952 3.237 1.00 0.00 O ATOM 485 OD2 ASP A 32 49.927 2.171 4.361 1.00 0.00 O ATOM 0 HA ASP A 32 53.037 0.491 4.761 1.00 0.00 H new ATOM 0 HB2 ASP A 32 51.871 3.116 5.585 1.00 0.00 H new ATOM 0 HB3 ASP A 32 52.763 3.140 4.077 1.00 0.00 H new ATOM 490 N THR A 33 55.256 1.575 4.054 1.00 0.00 N ATOM 491 CA THR A 33 56.670 2.004 3.854 1.00 0.00 C ATOM 492 C THR A 33 56.809 2.738 2.519 1.00 0.00 C ATOM 493 O THR A 33 56.696 2.153 1.460 1.00 0.00 O ATOM 494 CB THR A 33 57.582 0.773 3.856 1.00 0.00 C ATOM 495 OG1 THR A 33 57.366 0.031 5.048 1.00 0.00 O ATOM 496 CG2 THR A 33 59.046 1.215 3.786 1.00 0.00 C ATOM 0 H THR A 33 54.849 1.043 3.285 1.00 0.00 H new ATOM 0 HA THR A 33 56.958 2.675 4.663 1.00 0.00 H new ATOM 0 HB THR A 33 57.354 0.150 2.991 1.00 0.00 H new ATOM 0 HG1 THR A 33 57.947 -0.758 5.052 1.00 0.00 H new ATOM 0 HG21 THR A 33 59.692 0.337 3.788 1.00 0.00 H new ATOM 0 HG22 THR A 33 59.211 1.785 2.872 1.00 0.00 H new ATOM 0 HG23 THR A 33 59.279 1.839 4.649 1.00 0.00 H new ATOM 504 N TYR A 34 57.064 4.017 2.563 1.00 0.00 N ATOM 505 CA TYR A 34 57.225 4.795 1.302 1.00 0.00 C ATOM 506 C TYR A 34 58.718 4.977 1.022 1.00 0.00 C ATOM 507 O TYR A 34 59.528 4.975 1.928 1.00 0.00 O ATOM 508 CB TYR A 34 56.566 6.168 1.461 1.00 0.00 C ATOM 509 CG TYR A 34 55.139 5.999 1.927 1.00 0.00 C ATOM 510 CD1 TYR A 34 54.872 5.649 3.256 1.00 0.00 C ATOM 511 CD2 TYR A 34 54.083 6.196 1.030 1.00 0.00 C ATOM 512 CE1 TYR A 34 53.549 5.496 3.688 1.00 0.00 C ATOM 513 CE2 TYR A 34 52.760 6.044 1.461 1.00 0.00 C ATOM 514 CZ TYR A 34 52.492 5.693 2.790 1.00 0.00 C ATOM 515 OH TYR A 34 51.188 5.544 3.216 1.00 0.00 O ATOM 0 H TYR A 34 57.168 4.559 3.421 1.00 0.00 H new ATOM 0 HA TYR A 34 56.754 4.263 0.476 1.00 0.00 H new ATOM 0 HB2 TYR A 34 57.124 6.769 2.179 1.00 0.00 H new ATOM 0 HB3 TYR A 34 56.587 6.704 0.512 1.00 0.00 H new ATOM 0 HD1 TYR A 34 55.687 5.497 3.948 1.00 0.00 H new ATOM 0 HD2 TYR A 34 54.289 6.465 0.005 1.00 0.00 H new ATOM 0 HE1 TYR A 34 53.343 5.226 4.713 1.00 0.00 H new ATOM 0 HE2 TYR A 34 51.946 6.197 0.768 1.00 0.00 H new ATOM 0 HH TYR A 34 50.578 5.717 2.469 1.00 0.00 H new ATOM 525 N TYR A 35 59.097 5.129 -0.218 1.00 0.00 N ATOM 526 CA TYR A 35 60.547 5.302 -0.524 1.00 0.00 C ATOM 527 C TYR A 35 60.762 6.590 -1.315 1.00 0.00 C ATOM 528 O TYR A 35 59.966 6.956 -2.156 1.00 0.00 O ATOM 529 CB TYR A 35 61.041 4.109 -1.342 1.00 0.00 C ATOM 530 CG TYR A 35 60.667 2.834 -0.628 1.00 0.00 C ATOM 531 CD1 TYR A 35 59.327 2.442 -0.561 1.00 0.00 C ATOM 532 CD2 TYR A 35 61.658 2.049 -0.026 1.00 0.00 C ATOM 533 CE1 TYR A 35 58.974 1.265 0.107 1.00 0.00 C ATOM 534 CE2 TYR A 35 61.305 0.872 0.644 1.00 0.00 C ATOM 535 CZ TYR A 35 59.963 0.480 0.710 1.00 0.00 C ATOM 536 OH TYR A 35 59.615 -0.677 1.373 1.00 0.00 O ATOM 0 H TYR A 35 58.473 5.141 -1.025 1.00 0.00 H new ATOM 0 HA TYR A 35 61.106 5.360 0.410 1.00 0.00 H new ATOM 0 HB2 TYR A 35 60.598 4.126 -2.338 1.00 0.00 H new ATOM 0 HB3 TYR A 35 62.122 4.164 -1.473 1.00 0.00 H new ATOM 0 HD1 TYR A 35 58.564 3.049 -1.025 1.00 0.00 H new ATOM 0 HD2 TYR A 35 62.693 2.351 -0.079 1.00 0.00 H new ATOM 0 HE1 TYR A 35 57.939 0.962 0.157 1.00 0.00 H new ATOM 0 HE2 TYR A 35 62.068 0.266 1.110 1.00 0.00 H new ATOM 0 HH TYR A 35 60.306 -1.357 1.229 1.00 0.00 H new ATOM 546 N GLN A 36 61.838 7.280 -1.052 1.00 0.00 N ATOM 547 CA GLN A 36 62.111 8.546 -1.788 1.00 0.00 C ATOM 548 C GLN A 36 63.511 8.486 -2.400 1.00 0.00 C ATOM 549 O GLN A 36 64.450 8.019 -1.785 1.00 0.00 O ATOM 550 CB GLN A 36 62.028 9.728 -0.821 1.00 0.00 C ATOM 551 CG GLN A 36 62.536 10.992 -1.517 1.00 0.00 C ATOM 552 CD GLN A 36 61.633 12.173 -1.156 1.00 0.00 C ATOM 553 OE1 GLN A 36 61.417 13.057 -1.962 1.00 0.00 O ATOM 554 NE2 GLN A 36 61.093 12.228 0.031 1.00 0.00 N ATOM 0 H GLN A 36 62.540 7.021 -0.359 1.00 0.00 H new ATOM 0 HA GLN A 36 61.372 8.673 -2.579 1.00 0.00 H new ATOM 0 HB2 GLN A 36 60.999 9.870 -0.491 1.00 0.00 H new ATOM 0 HB3 GLN A 36 62.623 9.526 0.069 1.00 0.00 H new ATOM 0 HG2 GLN A 36 63.562 11.199 -1.213 1.00 0.00 H new ATOM 0 HG3 GLN A 36 62.546 10.846 -2.597 1.00 0.00 H new ATOM 0 HE21 GLN A 36 61.273 11.487 0.708 1.00 0.00 H new ATOM 0 HE22 GLN A 36 60.491 13.012 0.281 1.00 0.00 H new ATOM 563 N SER A 37 63.659 8.957 -3.609 1.00 0.00 N ATOM 564 CA SER A 37 64.997 8.929 -4.262 1.00 0.00 C ATOM 565 C SER A 37 65.861 10.066 -3.707 1.00 0.00 C ATOM 566 O SER A 37 65.383 10.902 -2.966 1.00 0.00 O ATOM 567 CB SER A 37 64.828 9.101 -5.774 1.00 0.00 C ATOM 568 OG SER A 37 65.154 10.436 -6.139 1.00 0.00 O ATOM 0 H SER A 37 62.910 9.360 -4.172 1.00 0.00 H new ATOM 0 HA SER A 37 65.483 7.975 -4.058 1.00 0.00 H new ATOM 0 HB2 SER A 37 65.472 8.400 -6.305 1.00 0.00 H new ATOM 0 HB3 SER A 37 63.802 8.874 -6.064 1.00 0.00 H new ATOM 0 HG SER A 37 65.880 10.427 -6.798 1.00 0.00 H new ATOM 574 N PRO A 38 67.115 10.061 -4.087 1.00 0.00 N ATOM 575 CA PRO A 38 68.086 11.080 -3.648 1.00 0.00 C ATOM 576 C PRO A 38 67.924 12.376 -4.453 1.00 0.00 C ATOM 577 O PRO A 38 68.774 13.244 -4.420 1.00 0.00 O ATOM 578 CB PRO A 38 69.441 10.428 -3.938 1.00 0.00 C ATOM 579 CG PRO A 38 69.187 9.350 -5.020 1.00 0.00 C ATOM 580 CD PRO A 38 67.680 9.034 -4.985 1.00 0.00 C ATOM 0 HA PRO A 38 67.961 11.361 -2.602 1.00 0.00 H new ATOM 0 HB2 PRO A 38 70.160 11.168 -4.289 1.00 0.00 H new ATOM 0 HB3 PRO A 38 69.858 9.981 -3.035 1.00 0.00 H new ATOM 0 HG2 PRO A 38 69.484 9.712 -6.004 1.00 0.00 H new ATOM 0 HG3 PRO A 38 69.775 8.454 -4.819 1.00 0.00 H new ATOM 0 HD2 PRO A 38 67.238 9.089 -5.980 1.00 0.00 H new ATOM 0 HD3 PRO A 38 67.493 8.029 -4.608 1.00 0.00 H new ATOM 588 N THR A 39 66.847 12.517 -5.178 1.00 0.00 N ATOM 589 CA THR A 39 66.650 13.759 -5.979 1.00 0.00 C ATOM 590 C THR A 39 65.327 14.426 -5.588 1.00 0.00 C ATOM 591 O THR A 39 65.135 15.608 -5.796 1.00 0.00 O ATOM 592 CB THR A 39 66.626 13.405 -7.468 1.00 0.00 C ATOM 593 OG1 THR A 39 66.603 14.600 -8.236 1.00 0.00 O ATOM 594 CG2 THR A 39 65.382 12.572 -7.780 1.00 0.00 C ATOM 0 H THR A 39 66.098 11.829 -5.250 1.00 0.00 H new ATOM 0 HA THR A 39 67.470 14.449 -5.781 1.00 0.00 H new ATOM 0 HB THR A 39 67.516 12.828 -7.718 1.00 0.00 H new ATOM 0 HG1 THR A 39 66.589 14.376 -9.190 1.00 0.00 H new ATOM 0 HG21 THR A 39 65.368 12.322 -8.841 1.00 0.00 H new ATOM 0 HG22 THR A 39 65.401 11.655 -7.191 1.00 0.00 H new ATOM 0 HG23 THR A 39 64.489 13.145 -7.531 1.00 0.00 H new ATOM 602 N GLY A 40 64.413 13.685 -5.019 1.00 0.00 N ATOM 603 CA GLY A 40 63.110 14.292 -4.616 1.00 0.00 C ATOM 604 C GLY A 40 61.951 13.481 -5.200 1.00 0.00 C ATOM 605 O GLY A 40 60.805 13.879 -5.121 1.00 0.00 O ATOM 0 H GLY A 40 64.511 12.690 -4.816 1.00 0.00 H new ATOM 0 HA2 GLY A 40 63.033 14.320 -3.529 1.00 0.00 H new ATOM 0 HA3 GLY A 40 63.056 15.323 -4.966 1.00 0.00 H new ATOM 609 N ASP A 41 62.232 12.349 -5.784 1.00 0.00 N ATOM 610 CA ASP A 41 61.137 11.523 -6.366 1.00 0.00 C ATOM 611 C ASP A 41 60.595 10.575 -5.296 1.00 0.00 C ATOM 612 O ASP A 41 61.342 9.929 -4.589 1.00 0.00 O ATOM 613 CB ASP A 41 61.679 10.711 -7.545 1.00 0.00 C ATOM 614 CG ASP A 41 61.694 11.584 -8.801 1.00 0.00 C ATOM 615 OD1 ASP A 41 60.623 11.876 -9.308 1.00 0.00 O ATOM 616 OD2 ASP A 41 62.775 11.946 -9.235 1.00 0.00 O ATOM 0 H ASP A 41 63.170 11.961 -5.883 1.00 0.00 H new ATOM 0 HA ASP A 41 60.335 12.174 -6.716 1.00 0.00 H new ATOM 0 HB2 ASP A 41 62.686 10.356 -7.324 1.00 0.00 H new ATOM 0 HB3 ASP A 41 61.059 9.830 -7.709 1.00 0.00 H new ATOM 621 N ARG A 42 59.299 10.491 -5.167 1.00 0.00 N ATOM 622 CA ARG A 42 58.707 9.590 -4.139 1.00 0.00 C ATOM 623 C ARG A 42 57.893 8.493 -4.831 1.00 0.00 C ATOM 624 O ARG A 42 57.164 8.747 -5.768 1.00 0.00 O ATOM 625 CB ARG A 42 57.795 10.405 -3.220 1.00 0.00 C ATOM 626 CG ARG A 42 56.796 11.199 -4.065 1.00 0.00 C ATOM 627 CD ARG A 42 57.366 12.590 -4.355 1.00 0.00 C ATOM 628 NE ARG A 42 56.275 13.602 -4.271 1.00 0.00 N ATOM 629 CZ ARG A 42 56.312 14.666 -5.026 1.00 0.00 C ATOM 630 NH1 ARG A 42 56.483 14.547 -6.314 1.00 0.00 N ATOM 631 NH2 ARG A 42 56.177 15.849 -4.492 1.00 0.00 N ATOM 0 H ARG A 42 58.624 11.008 -5.730 1.00 0.00 H new ATOM 0 HA ARG A 42 59.502 9.132 -3.550 1.00 0.00 H new ATOM 0 HB2 ARG A 42 57.264 9.742 -2.537 1.00 0.00 H new ATOM 0 HB3 ARG A 42 58.390 11.083 -2.608 1.00 0.00 H new ATOM 0 HG2 ARG A 42 56.596 10.674 -4.999 1.00 0.00 H new ATOM 0 HG3 ARG A 42 55.846 11.286 -3.538 1.00 0.00 H new ATOM 0 HD2 ARG A 42 58.153 12.828 -3.640 1.00 0.00 H new ATOM 0 HD3 ARG A 42 57.819 12.610 -5.346 1.00 0.00 H new ATOM 0 HE ARG A 42 55.499 13.463 -3.623 1.00 0.00 H new ATOM 0 HH11 ARG A 42 56.588 13.622 -6.731 1.00 0.00 H new ATOM 0 HH12 ARG A 42 56.512 15.379 -6.904 1.00 0.00 H new ATOM 0 HH21 ARG A 42 56.043 15.942 -3.485 1.00 0.00 H new ATOM 0 HH22 ARG A 42 56.206 16.681 -5.081 1.00 0.00 H new ATOM 645 N ILE A 43 58.016 7.274 -4.379 1.00 0.00 N ATOM 646 CA ILE A 43 57.251 6.163 -5.016 1.00 0.00 C ATOM 647 C ILE A 43 56.578 5.311 -3.941 1.00 0.00 C ATOM 648 O ILE A 43 57.003 5.275 -2.800 1.00 0.00 O ATOM 649 CB ILE A 43 58.202 5.290 -5.834 1.00 0.00 C ATOM 650 CG1 ILE A 43 58.913 6.153 -6.879 1.00 0.00 C ATOM 651 CG2 ILE A 43 57.405 4.192 -6.539 1.00 0.00 C ATOM 652 CD1 ILE A 43 60.411 5.848 -6.859 1.00 0.00 C ATOM 0 H ILE A 43 58.612 7.000 -3.598 1.00 0.00 H new ATOM 0 HA ILE A 43 56.488 6.585 -5.670 1.00 0.00 H new ATOM 0 HB ILE A 43 58.940 4.837 -5.172 1.00 0.00 H new ATOM 0 HG12 ILE A 43 58.504 5.954 -7.870 1.00 0.00 H new ATOM 0 HG13 ILE A 43 58.743 7.209 -6.670 1.00 0.00 H new ATOM 0 HG21 ILE A 43 58.082 3.569 -7.123 1.00 0.00 H new ATOM 0 HG22 ILE A 43 56.896 3.578 -5.796 1.00 0.00 H new ATOM 0 HG23 ILE A 43 56.668 4.646 -7.201 1.00 0.00 H new ATOM 0 HD11 ILE A 43 60.917 6.463 -7.603 1.00 0.00 H new ATOM 0 HD12 ILE A 43 60.814 6.069 -5.871 1.00 0.00 H new ATOM 0 HD13 ILE A 43 60.571 4.795 -7.089 1.00 0.00 H new ATOM 664 N ARG A 44 55.525 4.626 -4.301 1.00 0.00 N ATOM 665 CA ARG A 44 54.812 3.776 -3.310 1.00 0.00 C ATOM 666 C ARG A 44 54.744 2.331 -3.810 1.00 0.00 C ATOM 667 O ARG A 44 55.001 1.402 -3.073 1.00 0.00 O ATOM 668 CB ARG A 44 53.395 4.309 -3.112 1.00 0.00 C ATOM 669 CG ARG A 44 52.976 4.083 -1.662 1.00 0.00 C ATOM 670 CD ARG A 44 51.457 4.218 -1.542 1.00 0.00 C ATOM 671 NE ARG A 44 50.800 3.069 -2.228 1.00 0.00 N ATOM 672 CZ ARG A 44 49.507 2.909 -2.142 1.00 0.00 C ATOM 673 NH1 ARG A 44 49.001 2.199 -1.172 1.00 0.00 N ATOM 674 NH2 ARG A 44 48.720 3.458 -3.026 1.00 0.00 N ATOM 0 H ARG A 44 55.129 4.620 -5.241 1.00 0.00 H new ATOM 0 HA ARG A 44 55.353 3.802 -2.364 1.00 0.00 H new ATOM 0 HB2 ARG A 44 53.355 5.371 -3.354 1.00 0.00 H new ATOM 0 HB3 ARG A 44 52.705 3.802 -3.786 1.00 0.00 H new ATOM 0 HG2 ARG A 44 53.291 3.093 -1.332 1.00 0.00 H new ATOM 0 HG3 ARG A 44 53.468 4.807 -1.013 1.00 0.00 H new ATOM 0 HD2 ARG A 44 51.165 4.243 -0.492 1.00 0.00 H new ATOM 0 HD3 ARG A 44 51.128 5.157 -1.987 1.00 0.00 H new ATOM 0 HE ARG A 44 51.361 2.407 -2.765 1.00 0.00 H new ATOM 0 HH11 ARG A 44 49.615 1.769 -0.481 1.00 0.00 H new ATOM 0 HH12 ARG A 44 47.991 2.074 -1.105 1.00 0.00 H new ATOM 0 HH21 ARG A 44 49.115 4.013 -3.785 1.00 0.00 H new ATOM 0 HH22 ARG A 44 47.710 3.332 -2.958 1.00 0.00 H new ATOM 688 N SER A 45 54.398 2.126 -5.052 1.00 0.00 N ATOM 689 CA SER A 45 54.321 0.733 -5.571 1.00 0.00 C ATOM 690 C SER A 45 55.691 0.076 -5.424 1.00 0.00 C ATOM 691 O SER A 45 56.687 0.568 -5.917 1.00 0.00 O ATOM 692 CB SER A 45 53.902 0.752 -7.039 1.00 0.00 C ATOM 693 OG SER A 45 52.496 0.559 -7.127 1.00 0.00 O ATOM 0 H SER A 45 54.167 2.857 -5.724 1.00 0.00 H new ATOM 0 HA SER A 45 53.582 0.166 -5.005 1.00 0.00 H new ATOM 0 HB2 SER A 45 54.180 1.701 -7.497 1.00 0.00 H new ATOM 0 HB3 SER A 45 54.424 -0.032 -7.589 1.00 0.00 H new ATOM 0 HG SER A 45 52.222 0.572 -8.068 1.00 0.00 H new ATOM 699 N LYS A 46 55.747 -1.024 -4.729 1.00 0.00 N ATOM 700 CA LYS A 46 57.046 -1.719 -4.517 1.00 0.00 C ATOM 701 C LYS A 46 57.886 -1.697 -5.794 1.00 0.00 C ATOM 702 O LYS A 46 58.764 -0.878 -5.954 1.00 0.00 O ATOM 703 CB LYS A 46 56.787 -3.170 -4.113 1.00 0.00 C ATOM 704 CG LYS A 46 58.117 -3.921 -4.031 1.00 0.00 C ATOM 705 CD LYS A 46 57.884 -5.309 -3.433 1.00 0.00 C ATOM 706 CE LYS A 46 57.631 -6.314 -4.559 1.00 0.00 C ATOM 707 NZ LYS A 46 56.164 -6.463 -4.769 1.00 0.00 N ATOM 0 H LYS A 46 54.942 -1.475 -4.295 1.00 0.00 H new ATOM 0 HA LYS A 46 57.591 -1.201 -3.728 1.00 0.00 H new ATOM 0 HB2 LYS A 46 56.277 -3.205 -3.150 1.00 0.00 H new ATOM 0 HB3 LYS A 46 56.130 -3.649 -4.839 1.00 0.00 H new ATOM 0 HG2 LYS A 46 58.558 -4.011 -5.024 1.00 0.00 H new ATOM 0 HG3 LYS A 46 58.824 -3.363 -3.417 1.00 0.00 H new ATOM 0 HD2 LYS A 46 58.751 -5.614 -2.847 1.00 0.00 H new ATOM 0 HD3 LYS A 46 57.032 -5.286 -2.754 1.00 0.00 H new ATOM 0 HE2 LYS A 46 58.108 -5.975 -5.478 1.00 0.00 H new ATOM 0 HE3 LYS A 46 58.073 -7.278 -4.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 55.849 -7.377 -4.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 55.664 -5.692 -4.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 55.953 -6.424 -5.787 1.00 0.00 H new ATOM 721 N VAL A 47 57.642 -2.608 -6.691 1.00 0.00 N ATOM 722 CA VAL A 47 58.453 -2.652 -7.941 1.00 0.00 C ATOM 723 C VAL A 47 58.401 -1.304 -8.666 1.00 0.00 C ATOM 724 O VAL A 47 59.341 -0.923 -9.335 1.00 0.00 O ATOM 725 CB VAL A 47 57.927 -3.756 -8.858 1.00 0.00 C ATOM 726 CG1 VAL A 47 58.539 -3.601 -10.252 1.00 0.00 C ATOM 727 CG2 VAL A 47 58.321 -5.120 -8.277 1.00 0.00 C ATOM 0 H VAL A 47 56.919 -3.323 -6.615 1.00 0.00 H new ATOM 0 HA VAL A 47 59.489 -2.863 -7.677 1.00 0.00 H new ATOM 0 HB VAL A 47 56.842 -3.685 -8.931 1.00 0.00 H new ATOM 0 HG11 VAL A 47 58.163 -4.389 -10.904 1.00 0.00 H new ATOM 0 HG12 VAL A 47 58.267 -2.629 -10.663 1.00 0.00 H new ATOM 0 HG13 VAL A 47 59.624 -3.674 -10.183 1.00 0.00 H new ATOM 0 HG21 VAL A 47 57.949 -5.913 -8.926 1.00 0.00 H new ATOM 0 HG22 VAL A 47 59.407 -5.186 -8.209 1.00 0.00 H new ATOM 0 HG23 VAL A 47 57.887 -5.231 -7.283 1.00 0.00 H new ATOM 737 N GLU A 48 57.326 -0.571 -8.549 1.00 0.00 N ATOM 738 CA GLU A 48 57.269 0.741 -9.250 1.00 0.00 C ATOM 739 C GLU A 48 58.480 1.575 -8.834 1.00 0.00 C ATOM 740 O GLU A 48 59.156 2.158 -9.659 1.00 0.00 O ATOM 741 CB GLU A 48 55.985 1.482 -8.884 1.00 0.00 C ATOM 742 CG GLU A 48 55.832 2.704 -9.790 1.00 0.00 C ATOM 743 CD GLU A 48 54.347 3.022 -9.976 1.00 0.00 C ATOM 744 OE1 GLU A 48 53.567 2.088 -10.059 1.00 0.00 O ATOM 745 OE2 GLU A 48 54.015 4.195 -10.032 1.00 0.00 O ATOM 0 H GLU A 48 56.498 -0.820 -8.007 1.00 0.00 H new ATOM 0 HA GLU A 48 57.280 0.577 -10.328 1.00 0.00 H new ATOM 0 HB2 GLU A 48 55.125 0.821 -8.997 1.00 0.00 H new ATOM 0 HB3 GLU A 48 56.015 1.791 -7.839 1.00 0.00 H new ATOM 0 HG2 GLU A 48 56.346 3.560 -9.353 1.00 0.00 H new ATOM 0 HG3 GLU A 48 56.297 2.513 -10.757 1.00 0.00 H new ATOM 752 N LEU A 49 58.773 1.623 -7.563 1.00 0.00 N ATOM 753 CA LEU A 49 59.956 2.405 -7.114 1.00 0.00 C ATOM 754 C LEU A 49 61.216 1.678 -7.583 1.00 0.00 C ATOM 755 O LEU A 49 62.275 2.260 -7.709 1.00 0.00 O ATOM 756 CB LEU A 49 59.949 2.531 -5.586 1.00 0.00 C ATOM 757 CG LEU A 49 60.389 1.216 -4.947 1.00 0.00 C ATOM 758 CD1 LEU A 49 61.832 1.344 -4.458 1.00 0.00 C ATOM 759 CD2 LEU A 49 59.472 0.902 -3.760 1.00 0.00 C ATOM 0 H LEU A 49 58.248 1.158 -6.822 1.00 0.00 H new ATOM 0 HA LEU A 49 59.929 3.409 -7.538 1.00 0.00 H new ATOM 0 HB2 LEU A 49 60.617 3.335 -5.277 1.00 0.00 H new ATOM 0 HB3 LEU A 49 58.950 2.796 -5.240 1.00 0.00 H new ATOM 0 HG LEU A 49 60.327 0.412 -5.681 1.00 0.00 H new ATOM 0 HD11 LEU A 49 62.146 0.405 -4.002 1.00 0.00 H new ATOM 0 HD12 LEU A 49 62.483 1.573 -5.302 1.00 0.00 H new ATOM 0 HD13 LEU A 49 61.897 2.145 -3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 49 59.781 -0.036 -3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 49 59.538 1.705 -3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 49 58.443 0.813 -4.109 1.00 0.00 H new ATOM 771 N THR A 50 61.096 0.409 -7.870 1.00 0.00 N ATOM 772 CA THR A 50 62.269 -0.362 -8.362 1.00 0.00 C ATOM 773 C THR A 50 62.566 0.086 -9.788 1.00 0.00 C ATOM 774 O THR A 50 63.572 0.710 -10.062 1.00 0.00 O ATOM 775 CB THR A 50 61.934 -1.852 -8.362 1.00 0.00 C ATOM 776 OG1 THR A 50 61.365 -2.211 -7.112 1.00 0.00 O ATOM 777 CG2 THR A 50 63.205 -2.664 -8.601 1.00 0.00 C ATOM 0 H THR A 50 60.232 -0.126 -7.784 1.00 0.00 H new ATOM 0 HA THR A 50 63.132 -0.189 -7.720 1.00 0.00 H new ATOM 0 HB THR A 50 61.219 -2.062 -9.157 1.00 0.00 H new ATOM 0 HG1 THR A 50 61.290 -1.414 -6.546 1.00 0.00 H new ATOM 0 HG21 THR A 50 62.963 -3.727 -8.601 1.00 0.00 H new ATOM 0 HG22 THR A 50 63.636 -2.390 -9.564 1.00 0.00 H new ATOM 0 HG23 THR A 50 63.924 -2.455 -7.809 1.00 0.00 H new ATOM 785 N ARG A 51 61.678 -0.212 -10.696 1.00 0.00 N ATOM 786 CA ARG A 51 61.883 0.214 -12.105 1.00 0.00 C ATOM 787 C ARG A 51 62.355 1.668 -12.107 1.00 0.00 C ATOM 788 O ARG A 51 63.044 2.111 -13.006 1.00 0.00 O ATOM 789 CB ARG A 51 60.565 0.101 -12.885 1.00 0.00 C ATOM 790 CG ARG A 51 59.369 0.297 -11.943 1.00 0.00 C ATOM 791 CD ARG A 51 58.433 1.357 -12.525 1.00 0.00 C ATOM 792 NE ARG A 51 57.674 0.779 -13.668 1.00 0.00 N ATOM 793 CZ ARG A 51 57.900 1.203 -14.881 1.00 0.00 C ATOM 794 NH1 ARG A 51 58.078 2.477 -15.105 1.00 0.00 N ATOM 795 NH2 ARG A 51 57.946 0.353 -15.870 1.00 0.00 N ATOM 0 H ARG A 51 60.819 -0.733 -10.521 1.00 0.00 H new ATOM 0 HA ARG A 51 62.627 -0.426 -12.580 1.00 0.00 H new ATOM 0 HB2 ARG A 51 60.539 0.849 -13.678 1.00 0.00 H new ATOM 0 HB3 ARG A 51 60.502 -0.875 -13.366 1.00 0.00 H new ATOM 0 HG2 ARG A 51 58.835 -0.645 -11.814 1.00 0.00 H new ATOM 0 HG3 ARG A 51 59.716 0.604 -10.956 1.00 0.00 H new ATOM 0 HD2 ARG A 51 57.743 1.708 -11.758 1.00 0.00 H new ATOM 0 HD3 ARG A 51 59.008 2.222 -12.857 1.00 0.00 H new ATOM 0 HE ARG A 51 56.978 0.052 -13.503 1.00 0.00 H new ATOM 0 HH11 ARG A 51 58.040 3.141 -14.332 1.00 0.00 H new ATOM 0 HH12 ARG A 51 58.255 2.808 -16.053 1.00 0.00 H new ATOM 0 HH21 ARG A 51 57.805 -0.642 -15.694 1.00 0.00 H new ATOM 0 HH22 ARG A 51 58.123 0.683 -16.819 1.00 0.00 H new ATOM 809 N TYR A 52 61.993 2.412 -11.095 1.00 0.00 N ATOM 810 CA TYR A 52 62.421 3.835 -11.018 1.00 0.00 C ATOM 811 C TYR A 52 63.935 3.894 -10.802 1.00 0.00 C ATOM 812 O TYR A 52 64.672 4.366 -11.645 1.00 0.00 O ATOM 813 CB TYR A 52 61.706 4.514 -9.847 1.00 0.00 C ATOM 814 CG TYR A 52 62.235 5.916 -9.676 1.00 0.00 C ATOM 815 CD1 TYR A 52 61.705 6.962 -10.439 1.00 0.00 C ATOM 816 CD2 TYR A 52 63.255 6.170 -8.751 1.00 0.00 C ATOM 817 CE1 TYR A 52 62.194 8.264 -10.278 1.00 0.00 C ATOM 818 CE2 TYR A 52 63.745 7.471 -8.590 1.00 0.00 C ATOM 819 CZ TYR A 52 63.215 8.518 -9.353 1.00 0.00 C ATOM 820 OH TYR A 52 63.697 9.801 -9.194 1.00 0.00 O ATOM 0 H TYR A 52 61.417 2.092 -10.317 1.00 0.00 H new ATOM 0 HA TYR A 52 62.167 4.349 -11.945 1.00 0.00 H new ATOM 0 HB2 TYR A 52 60.632 4.540 -10.029 1.00 0.00 H new ATOM 0 HB3 TYR A 52 61.861 3.942 -8.932 1.00 0.00 H new ATOM 0 HD1 TYR A 52 60.918 6.765 -11.152 1.00 0.00 H new ATOM 0 HD2 TYR A 52 63.663 5.362 -8.162 1.00 0.00 H new ATOM 0 HE1 TYR A 52 61.784 9.072 -10.866 1.00 0.00 H new ATOM 0 HE2 TYR A 52 64.532 7.667 -7.877 1.00 0.00 H new ATOM 0 HH TYR A 52 63.353 10.371 -9.913 1.00 0.00 H new ATOM 830 N LEU A 53 64.408 3.411 -9.683 1.00 0.00 N ATOM 831 CA LEU A 53 65.877 3.434 -9.427 1.00 0.00 C ATOM 832 C LEU A 53 66.610 2.978 -10.688 1.00 0.00 C ATOM 833 O LEU A 53 67.442 3.681 -11.227 1.00 0.00 O ATOM 834 CB LEU A 53 66.219 2.479 -8.279 1.00 0.00 C ATOM 835 CG LEU A 53 65.459 2.889 -7.018 1.00 0.00 C ATOM 836 CD1 LEU A 53 64.745 1.667 -6.438 1.00 0.00 C ATOM 837 CD2 LEU A 53 66.446 3.437 -5.985 1.00 0.00 C ATOM 0 H LEU A 53 63.843 3.003 -8.938 1.00 0.00 H new ATOM 0 HA LEU A 53 66.182 4.446 -9.160 1.00 0.00 H new ATOM 0 HB2 LEU A 53 65.959 1.457 -8.555 1.00 0.00 H new ATOM 0 HB3 LEU A 53 67.292 2.495 -8.089 1.00 0.00 H new ATOM 0 HG LEU A 53 64.727 3.657 -7.266 1.00 0.00 H new ATOM 0 HD11 LEU A 53 64.202 1.956 -5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 53 64.044 1.272 -7.174 1.00 0.00 H new ATOM 0 HD13 LEU A 53 65.479 0.901 -6.188 1.00 0.00 H new ATOM 0 HD21 LEU A 53 65.905 3.730 -5.085 1.00 0.00 H new ATOM 0 HD22 LEU A 53 67.176 2.667 -5.735 1.00 0.00 H new ATOM 0 HD23 LEU A 53 66.960 4.305 -6.398 1.00 0.00 H new ATOM 849 N GLY A 54 66.306 1.801 -11.161 1.00 0.00 N ATOM 850 CA GLY A 54 66.980 1.291 -12.387 1.00 0.00 C ATOM 851 C GLY A 54 67.264 -0.206 -12.229 1.00 0.00 C ATOM 852 O GLY A 54 66.682 -0.860 -11.387 1.00 0.00 O ATOM 0 H GLY A 54 65.618 1.169 -10.750 1.00 0.00 H new ATOM 0 HA2 GLY A 54 66.349 1.462 -13.259 1.00 0.00 H new ATOM 0 HA3 GLY A 54 67.911 1.833 -12.555 1.00 0.00 H new ATOM 856 N PRO A 55 68.156 -0.701 -13.047 1.00 0.00 N ATOM 857 CA PRO A 55 68.550 -2.121 -13.029 1.00 0.00 C ATOM 858 C PRO A 55 69.513 -2.388 -11.870 1.00 0.00 C ATOM 859 O PRO A 55 69.739 -3.517 -11.483 1.00 0.00 O ATOM 860 CB PRO A 55 69.249 -2.315 -14.378 1.00 0.00 C ATOM 861 CG PRO A 55 69.715 -0.912 -14.834 1.00 0.00 C ATOM 862 CD PRO A 55 68.856 0.109 -14.065 1.00 0.00 C ATOM 0 HA PRO A 55 67.710 -2.801 -12.890 1.00 0.00 H new ATOM 0 HB2 PRO A 55 70.097 -2.994 -14.282 1.00 0.00 H new ATOM 0 HB3 PRO A 55 68.569 -2.755 -15.108 1.00 0.00 H new ATOM 0 HG2 PRO A 55 70.774 -0.767 -14.620 1.00 0.00 H new ATOM 0 HG3 PRO A 55 69.588 -0.792 -15.910 1.00 0.00 H new ATOM 0 HD2 PRO A 55 69.472 0.882 -13.605 1.00 0.00 H new ATOM 0 HD3 PRO A 55 68.151 0.615 -14.725 1.00 0.00 H new ATOM 870 N ALA A 56 70.081 -1.354 -11.313 1.00 0.00 N ATOM 871 CA ALA A 56 71.028 -1.541 -10.180 1.00 0.00 C ATOM 872 C ALA A 56 70.244 -1.847 -8.901 1.00 0.00 C ATOM 873 O ALA A 56 70.810 -2.180 -7.880 1.00 0.00 O ATOM 874 CB ALA A 56 71.843 -0.261 -9.985 1.00 0.00 C ATOM 0 H ALA A 56 69.929 -0.386 -11.595 1.00 0.00 H new ATOM 0 HA ALA A 56 71.699 -2.372 -10.400 1.00 0.00 H new ATOM 0 HB1 ALA A 56 72.538 -0.395 -9.156 1.00 0.00 H new ATOM 0 HB2 ALA A 56 72.402 -0.043 -10.895 1.00 0.00 H new ATOM 0 HB3 ALA A 56 71.171 0.568 -9.765 1.00 0.00 H new ATOM 880 N CYS A 57 68.944 -1.735 -8.949 1.00 0.00 N ATOM 881 CA CYS A 57 68.126 -2.018 -7.735 1.00 0.00 C ATOM 882 C CYS A 57 67.070 -3.077 -8.064 1.00 0.00 C ATOM 883 O CYS A 57 66.843 -3.405 -9.212 1.00 0.00 O ATOM 884 CB CYS A 57 67.435 -0.734 -7.276 1.00 0.00 C ATOM 885 SG CYS A 57 68.629 0.319 -6.415 1.00 0.00 S ATOM 0 H CYS A 57 68.414 -1.460 -9.776 1.00 0.00 H new ATOM 0 HA CYS A 57 68.773 -2.387 -6.939 1.00 0.00 H new ATOM 0 HB2 CYS A 57 67.020 -0.205 -8.134 1.00 0.00 H new ATOM 0 HB3 CYS A 57 66.602 -0.973 -6.615 1.00 0.00 H new ATOM 0 HG CYS A 57 68.893 1.362 -7.145 1.00 0.00 H new ATOM 891 N ASP A 58 66.424 -3.615 -7.065 1.00 0.00 N ATOM 892 CA ASP A 58 65.385 -4.653 -7.321 1.00 0.00 C ATOM 893 C ASP A 58 64.541 -4.852 -6.058 1.00 0.00 C ATOM 894 O ASP A 58 65.048 -4.819 -4.954 1.00 0.00 O ATOM 895 CB ASP A 58 66.069 -5.970 -7.700 1.00 0.00 C ATOM 896 CG ASP A 58 66.686 -6.607 -6.452 1.00 0.00 C ATOM 897 OD1 ASP A 58 67.117 -5.866 -5.583 1.00 0.00 O ATOM 898 OD2 ASP A 58 66.717 -7.825 -6.387 1.00 0.00 O ATOM 0 H ASP A 58 66.571 -3.381 -6.083 1.00 0.00 H new ATOM 0 HA ASP A 58 64.738 -4.333 -8.138 1.00 0.00 H new ATOM 0 HB2 ASP A 58 65.346 -6.651 -8.148 1.00 0.00 H new ATOM 0 HB3 ASP A 58 66.841 -5.788 -8.447 1.00 0.00 H new ATOM 903 N LEU A 59 63.259 -5.056 -6.206 1.00 0.00 N ATOM 904 CA LEU A 59 62.397 -5.254 -5.005 1.00 0.00 C ATOM 905 C LEU A 59 61.375 -6.357 -5.273 1.00 0.00 C ATOM 906 O LEU A 59 60.556 -6.671 -4.432 1.00 0.00 O ATOM 907 CB LEU A 59 61.658 -3.959 -4.682 1.00 0.00 C ATOM 908 CG LEU A 59 62.651 -2.923 -4.163 1.00 0.00 C ATOM 909 CD1 LEU A 59 63.433 -2.328 -5.335 1.00 0.00 C ATOM 910 CD2 LEU A 59 61.882 -1.816 -3.444 1.00 0.00 C ATOM 0 H LEU A 59 62.773 -5.094 -7.102 1.00 0.00 H new ATOM 0 HA LEU A 59 63.028 -5.538 -4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 59 61.156 -3.582 -5.573 1.00 0.00 H new ATOM 0 HB3 LEU A 59 60.886 -4.145 -3.935 1.00 0.00 H new ATOM 0 HG LEU A 59 63.349 -3.395 -3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 59 64.141 -1.588 -4.962 1.00 0.00 H new ATOM 0 HD12 LEU A 59 63.974 -3.121 -5.851 1.00 0.00 H new ATOM 0 HD13 LEU A 59 62.741 -1.850 -6.029 1.00 0.00 H new ATOM 0 HD21 LEU A 59 62.583 -1.070 -3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 59 61.188 -1.344 -4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 59 61.325 -2.243 -2.609 1.00 0.00 H new ATOM 922 N THR A 60 61.412 -6.953 -6.429 1.00 0.00 N ATOM 923 CA THR A 60 60.442 -8.034 -6.726 1.00 0.00 C ATOM 924 C THR A 60 60.401 -9.001 -5.542 1.00 0.00 C ATOM 925 O THR A 60 59.387 -9.601 -5.245 1.00 0.00 O ATOM 926 CB THR A 60 60.889 -8.776 -7.982 1.00 0.00 C ATOM 927 OG1 THR A 60 61.017 -7.853 -9.055 1.00 0.00 O ATOM 928 CG2 THR A 60 59.850 -9.830 -8.334 1.00 0.00 C ATOM 0 H THR A 60 62.070 -6.738 -7.178 1.00 0.00 H new ATOM 0 HA THR A 60 59.449 -7.614 -6.889 1.00 0.00 H new ATOM 0 HB THR A 60 61.851 -9.257 -7.805 1.00 0.00 H new ATOM 0 HG1 THR A 60 61.306 -8.328 -9.862 1.00 0.00 H new ATOM 0 HG21 THR A 60 60.163 -10.364 -9.231 1.00 0.00 H new ATOM 0 HG22 THR A 60 59.752 -10.534 -7.508 1.00 0.00 H new ATOM 0 HG23 THR A 60 58.890 -9.348 -8.516 1.00 0.00 H new ATOM 936 N LEU A 61 61.504 -9.150 -4.863 1.00 0.00 N ATOM 937 CA LEU A 61 61.552 -10.069 -3.693 1.00 0.00 C ATOM 938 C LEU A 61 61.513 -9.238 -2.412 1.00 0.00 C ATOM 939 O LEU A 61 61.261 -9.741 -1.335 1.00 0.00 O ATOM 940 CB LEU A 61 62.857 -10.870 -3.730 1.00 0.00 C ATOM 941 CG LEU A 61 62.865 -11.794 -4.953 1.00 0.00 C ATOM 942 CD1 LEU A 61 61.650 -12.721 -4.902 1.00 0.00 C ATOM 943 CD2 LEU A 61 62.811 -10.955 -6.235 1.00 0.00 C ATOM 0 H LEU A 61 62.380 -8.671 -5.070 1.00 0.00 H new ATOM 0 HA LEU A 61 60.703 -10.752 -3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 61 63.710 -10.192 -3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 61 62.959 -11.458 -2.818 1.00 0.00 H new ATOM 0 HG LEU A 61 63.778 -12.389 -4.948 1.00 0.00 H new ATOM 0 HD11 LEU A 61 61.657 -13.378 -5.772 1.00 0.00 H new ATOM 0 HD12 LEU A 61 61.689 -13.322 -3.993 1.00 0.00 H new ATOM 0 HD13 LEU A 61 60.737 -12.125 -4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 61 62.817 -11.615 -7.102 1.00 0.00 H new ATOM 0 HD22 LEU A 61 61.900 -10.357 -6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 61 63.678 -10.296 -6.275 1.00 0.00 H new ATOM 955 N PHE A 62 61.769 -7.966 -2.527 1.00 0.00 N ATOM 956 CA PHE A 62 61.759 -7.086 -1.328 1.00 0.00 C ATOM 957 C PHE A 62 60.395 -7.164 -0.643 1.00 0.00 C ATOM 958 O PHE A 62 59.364 -7.069 -1.279 1.00 0.00 O ATOM 959 CB PHE A 62 62.037 -5.645 -1.761 1.00 0.00 C ATOM 960 CG PHE A 62 61.779 -4.707 -0.608 1.00 0.00 C ATOM 961 CD1 PHE A 62 62.753 -4.527 0.380 1.00 0.00 C ATOM 962 CD2 PHE A 62 60.566 -4.013 -0.529 1.00 0.00 C ATOM 963 CE1 PHE A 62 62.515 -3.654 1.447 1.00 0.00 C ATOM 964 CE2 PHE A 62 60.328 -3.140 0.539 1.00 0.00 C ATOM 965 CZ PHE A 62 61.303 -2.960 1.527 1.00 0.00 C ATOM 0 H PHE A 62 61.986 -7.496 -3.406 1.00 0.00 H new ATOM 0 HA PHE A 62 62.528 -7.413 -0.628 1.00 0.00 H new ATOM 0 HB2 PHE A 62 63.070 -5.549 -2.096 1.00 0.00 H new ATOM 0 HB3 PHE A 62 61.402 -5.380 -2.606 1.00 0.00 H new ATOM 0 HD1 PHE A 62 63.689 -5.062 0.319 1.00 0.00 H new ATOM 0 HD2 PHE A 62 59.814 -4.151 -1.292 1.00 0.00 H new ATOM 0 HE1 PHE A 62 63.267 -3.516 2.209 1.00 0.00 H new ATOM 0 HE2 PHE A 62 59.392 -2.605 0.601 1.00 0.00 H new ATOM 0 HZ PHE A 62 61.120 -2.286 2.351 1.00 0.00 H new ATOM 975 N ASP A 63 60.381 -7.331 0.651 1.00 0.00 N ATOM 976 CA ASP A 63 59.084 -7.407 1.377 1.00 0.00 C ATOM 977 C ASP A 63 58.545 -5.991 1.578 1.00 0.00 C ATOM 978 O ASP A 63 59.029 -5.246 2.408 1.00 0.00 O ATOM 979 CB ASP A 63 59.296 -8.070 2.740 1.00 0.00 C ATOM 980 CG ASP A 63 59.613 -9.554 2.545 1.00 0.00 C ATOM 981 OD1 ASP A 63 60.408 -9.861 1.672 1.00 0.00 O ATOM 982 OD2 ASP A 63 59.055 -10.360 3.273 1.00 0.00 O ATOM 0 H ASP A 63 61.212 -7.418 1.236 1.00 0.00 H new ATOM 0 HA ASP A 63 58.372 -7.996 0.799 1.00 0.00 H new ATOM 0 HB2 ASP A 63 60.112 -7.580 3.271 1.00 0.00 H new ATOM 0 HB3 ASP A 63 58.403 -7.956 3.354 1.00 0.00 H new ATOM 987 N PHE A 64 57.554 -5.607 0.822 1.00 0.00 N ATOM 988 CA PHE A 64 56.999 -4.234 0.972 1.00 0.00 C ATOM 989 C PHE A 64 56.303 -4.112 2.329 1.00 0.00 C ATOM 990 O PHE A 64 55.109 -3.907 2.413 1.00 0.00 O ATOM 991 CB PHE A 64 55.999 -3.955 -0.151 1.00 0.00 C ATOM 992 CG PHE A 64 56.191 -2.540 -0.638 1.00 0.00 C ATOM 993 CD1 PHE A 64 57.471 -2.091 -0.986 1.00 0.00 C ATOM 994 CD2 PHE A 64 55.095 -1.675 -0.735 1.00 0.00 C ATOM 995 CE1 PHE A 64 57.655 -0.778 -1.432 1.00 0.00 C ATOM 996 CE2 PHE A 64 55.280 -0.361 -1.180 1.00 0.00 C ATOM 997 CZ PHE A 64 56.560 0.088 -1.528 1.00 0.00 C ATOM 0 H PHE A 64 57.106 -6.183 0.109 1.00 0.00 H new ATOM 0 HA PHE A 64 57.809 -3.507 0.915 1.00 0.00 H new ATOM 0 HB2 PHE A 64 56.147 -4.659 -0.970 1.00 0.00 H new ATOM 0 HB3 PHE A 64 54.980 -4.094 0.209 1.00 0.00 H new ATOM 0 HD1 PHE A 64 58.316 -2.759 -0.910 1.00 0.00 H new ATOM 0 HD2 PHE A 64 54.108 -2.021 -0.467 1.00 0.00 H new ATOM 0 HE1 PHE A 64 58.642 -0.433 -1.702 1.00 0.00 H new ATOM 0 HE2 PHE A 64 54.435 0.307 -1.255 1.00 0.00 H new ATOM 0 HZ PHE A 64 56.702 1.102 -1.870 1.00 0.00 H new ATOM 1007 N LYS A 65 57.050 -4.237 3.392 1.00 0.00 N ATOM 1008 CA LYS A 65 56.451 -4.131 4.751 1.00 0.00 C ATOM 1009 C LYS A 65 57.518 -4.474 5.791 1.00 0.00 C ATOM 1010 O LYS A 65 57.534 -3.939 6.881 1.00 0.00 O ATOM 1011 CB LYS A 65 55.279 -5.107 4.873 1.00 0.00 C ATOM 1012 CG LYS A 65 54.810 -5.165 6.328 1.00 0.00 C ATOM 1013 CD LYS A 65 54.804 -6.618 6.805 1.00 0.00 C ATOM 1014 CE LYS A 65 53.850 -7.438 5.935 1.00 0.00 C ATOM 1015 NZ LYS A 65 52.487 -7.418 6.536 1.00 0.00 N ATOM 0 H LYS A 65 58.055 -4.409 3.376 1.00 0.00 H new ATOM 0 HA LYS A 65 56.088 -3.117 4.917 1.00 0.00 H new ATOM 0 HB2 LYS A 65 54.459 -4.789 4.228 1.00 0.00 H new ATOM 0 HB3 LYS A 65 55.582 -6.099 4.538 1.00 0.00 H new ATOM 0 HG2 LYS A 65 55.469 -4.567 6.958 1.00 0.00 H new ATOM 0 HG3 LYS A 65 53.811 -4.738 6.416 1.00 0.00 H new ATOM 0 HD2 LYS A 65 55.810 -7.034 6.751 1.00 0.00 H new ATOM 0 HD3 LYS A 65 54.494 -6.668 7.849 1.00 0.00 H new ATOM 0 HE2 LYS A 65 53.820 -7.029 4.925 1.00 0.00 H new ATOM 0 HE3 LYS A 65 54.208 -8.464 5.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 51.838 -7.976 5.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 52.523 -7.828 7.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 52.147 -6.437 6.593 1.00 0.00 H new ATOM 1029 N GLN A 66 58.417 -5.359 5.455 1.00 0.00 N ATOM 1030 CA GLN A 66 59.493 -5.735 6.413 1.00 0.00 C ATOM 1031 C GLN A 66 60.728 -4.875 6.138 1.00 0.00 C ATOM 1032 O GLN A 66 61.330 -4.327 7.040 1.00 0.00 O ATOM 1033 CB GLN A 66 59.848 -7.212 6.230 1.00 0.00 C ATOM 1034 CG GLN A 66 60.288 -7.802 7.571 1.00 0.00 C ATOM 1035 CD GLN A 66 60.109 -9.320 7.542 1.00 0.00 C ATOM 1036 OE1 GLN A 66 58.999 -9.812 7.508 1.00 0.00 O ATOM 1037 NE2 GLN A 66 61.163 -10.090 7.552 1.00 0.00 N ATOM 0 H GLN A 66 58.452 -5.839 4.555 1.00 0.00 H new ATOM 0 HA GLN A 66 59.150 -5.572 7.435 1.00 0.00 H new ATOM 0 HB2 GLN A 66 58.987 -7.759 5.845 1.00 0.00 H new ATOM 0 HB3 GLN A 66 60.646 -7.317 5.495 1.00 0.00 H new ATOM 0 HG2 GLN A 66 61.331 -7.552 7.766 1.00 0.00 H new ATOM 0 HG3 GLN A 66 59.700 -7.371 8.381 1.00 0.00 H new ATOM 0 HE21 GLN A 66 62.096 -9.678 7.581 1.00 0.00 H new ATOM 0 HE22 GLN A 66 61.054 -11.104 7.531 1.00 0.00 H new ATOM 1046 N GLY A 67 61.105 -4.747 4.894 1.00 0.00 N ATOM 1047 CA GLY A 67 62.295 -3.916 4.559 1.00 0.00 C ATOM 1048 C GLY A 67 63.458 -4.813 4.130 1.00 0.00 C ATOM 1049 O GLY A 67 64.611 -4.467 4.298 1.00 0.00 O ATOM 0 H GLY A 67 60.640 -5.182 4.097 1.00 0.00 H new ATOM 0 HA2 GLY A 67 62.048 -3.219 3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 67 62.586 -3.318 5.423 1.00 0.00 H new ATOM 1053 N ILE A 68 63.174 -5.959 3.574 1.00 0.00 N ATOM 1054 CA ILE A 68 64.279 -6.860 3.139 1.00 0.00 C ATOM 1055 C ILE A 68 63.918 -7.522 1.803 1.00 0.00 C ATOM 1056 O ILE A 68 62.765 -7.611 1.433 1.00 0.00 O ATOM 1057 CB ILE A 68 64.508 -7.937 4.203 1.00 0.00 C ATOM 1058 CG1 ILE A 68 63.399 -8.991 4.119 1.00 0.00 C ATOM 1059 CG2 ILE A 68 64.491 -7.292 5.589 1.00 0.00 C ATOM 1060 CD1 ILE A 68 63.937 -10.244 3.426 1.00 0.00 C ATOM 0 H ILE A 68 62.231 -6.309 3.403 1.00 0.00 H new ATOM 0 HA ILE A 68 65.190 -6.276 3.011 1.00 0.00 H new ATOM 0 HB ILE A 68 65.473 -8.414 4.032 1.00 0.00 H new ATOM 0 HG12 ILE A 68 63.043 -9.240 5.119 1.00 0.00 H new ATOM 0 HG13 ILE A 68 62.547 -8.595 3.567 1.00 0.00 H new ATOM 0 HG21 ILE A 68 64.654 -8.057 6.348 1.00 0.00 H new ATOM 0 HG22 ILE A 68 65.281 -6.544 5.652 1.00 0.00 H new ATOM 0 HG23 ILE A 68 63.526 -6.814 5.756 1.00 0.00 H new ATOM 0 HD11 ILE A 68 63.148 -10.994 3.366 1.00 0.00 H new ATOM 0 HD12 ILE A 68 64.272 -9.988 2.421 1.00 0.00 H new ATOM 0 HD13 ILE A 68 64.775 -10.644 3.997 1.00 0.00 H new ATOM 1072 N LEU A 69 64.903 -7.993 1.086 1.00 0.00 N ATOM 1073 CA LEU A 69 64.639 -8.658 -0.219 1.00 0.00 C ATOM 1074 C LEU A 69 65.592 -9.847 -0.363 1.00 0.00 C ATOM 1075 O LEU A 69 66.349 -10.154 0.536 1.00 0.00 O ATOM 1076 CB LEU A 69 64.889 -7.666 -1.356 1.00 0.00 C ATOM 1077 CG LEU A 69 66.303 -7.099 -1.232 1.00 0.00 C ATOM 1078 CD1 LEU A 69 66.769 -6.578 -2.593 1.00 0.00 C ATOM 1079 CD2 LEU A 69 66.302 -5.951 -0.221 1.00 0.00 C ATOM 0 H LEU A 69 65.886 -7.944 1.352 1.00 0.00 H new ATOM 0 HA LEU A 69 63.605 -9.000 -0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 69 64.767 -8.161 -2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 69 64.157 -6.859 -1.317 1.00 0.00 H new ATOM 0 HG LEU A 69 66.980 -7.884 -0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 69 67.777 -6.174 -2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 69 66.769 -7.395 -3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 69 66.093 -5.793 -2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 69 67.309 -5.545 -0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 69 65.624 -5.168 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 69 65.972 -6.321 0.750 1.00 0.00 H new ATOM 1091 N CYS A 70 65.570 -10.517 -1.482 1.00 0.00 N ATOM 1092 CA CYS A 70 66.486 -11.678 -1.662 1.00 0.00 C ATOM 1093 C CYS A 70 66.706 -11.939 -3.153 1.00 0.00 C ATOM 1094 O CYS A 70 66.089 -11.325 -4.001 1.00 0.00 O ATOM 1095 CB CYS A 70 65.874 -12.920 -1.013 1.00 0.00 C ATOM 1096 SG CYS A 70 66.560 -13.132 0.649 1.00 0.00 S ATOM 0 H CYS A 70 64.962 -10.313 -2.275 1.00 0.00 H new ATOM 0 HA CYS A 70 67.443 -11.454 -1.190 1.00 0.00 H new ATOM 0 HB2 CYS A 70 64.790 -12.819 -0.961 1.00 0.00 H new ATOM 0 HB3 CYS A 70 66.083 -13.801 -1.620 1.00 0.00 H new ATOM 0 HG CYS A 70 66.723 -11.967 1.203 1.00 0.00 H new