USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 712 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 35 CYS SG : rot 2:sc= 0.0619 USER MOD Set 1.2: A 85 CYS SG : rot 108:sc= 1.28 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -41:sc= -0.0916 USER MOD Single : A 47 THR OG1 : rot -25:sc= 0.183 USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0345) USER MOD Single : A 56 SER OG : rot 180:sc= 0.773 USER MOD Single : A 62 GLN : amide:sc= -0.859 K(o=-0.86,f=-2!) USER MOD Single : A 63 LYS NZ :NH3+ 139:sc= -0.536 (180deg=-2.23!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 SER OG : rot -86:sc= 1.25 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 150:sc= -0.139 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 130 N TRP A 13 11.196 -14.114 -4.234 1.00 0.00 N ATOM 131 CA TRP A 13 11.281 -12.748 -4.740 1.00 0.00 C ATOM 132 C TRP A 13 11.104 -11.738 -3.612 1.00 0.00 C ATOM 133 O TRP A 13 11.933 -10.846 -3.430 1.00 0.00 O ATOM 134 CB TRP A 13 10.224 -12.516 -5.821 1.00 0.00 C ATOM 135 CG TRP A 13 10.639 -13.009 -7.174 1.00 0.00 C ATOM 136 CD1 TRP A 13 10.047 -14.001 -7.902 1.00 0.00 C ATOM 137 CD2 TRP A 13 11.739 -12.535 -7.959 1.00 0.00 C ATOM 138 NE1 TRP A 13 10.712 -14.172 -9.092 1.00 0.00 N ATOM 139 CE2 TRP A 13 11.753 -13.284 -9.152 1.00 0.00 C ATOM 140 CE3 TRP A 13 12.711 -11.549 -7.771 1.00 0.00 C ATOM 141 CZ2 TRP A 13 12.702 -13.077 -10.149 1.00 0.00 C ATOM 142 CZ3 TRP A 13 13.653 -11.345 -8.762 1.00 0.00 C ATOM 143 CH2 TRP A 13 13.642 -12.105 -9.939 1.00 0.00 C ATOM 0 HA TRP A 13 12.271 -12.609 -5.175 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.300 -13.015 -5.528 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.005 -11.450 -5.882 1.00 0.00 H new ATOM 0 HD1 TRP A 13 9.183 -14.568 -7.588 1.00 0.00 H new ATOM 0 HE1 TRP A 13 10.470 -14.851 -9.814 1.00 0.00 H new ATOM 0 HE3 TRP A 13 12.726 -10.957 -6.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 12.697 -13.663 -11.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 14.410 -10.587 -8.627 1.00 0.00 H new ATOM 0 HH2 TRP A 13 14.390 -11.920 -10.696 1.00 0.00 H new ATOM 154 N ILE A 14 10.019 -11.883 -2.858 1.00 0.00 N ATOM 155 CA ILE A 14 9.735 -10.983 -1.748 1.00 0.00 C ATOM 156 C ILE A 14 10.677 -11.241 -0.577 1.00 0.00 C ATOM 157 O ILE A 14 10.434 -12.122 0.248 1.00 0.00 O ATOM 158 CB ILE A 14 8.281 -11.128 -1.263 1.00 0.00 C ATOM 159 CG1 ILE A 14 7.311 -10.965 -2.436 1.00 0.00 C ATOM 160 CG2 ILE A 14 7.981 -10.109 -0.175 1.00 0.00 C ATOM 161 CD1 ILE A 14 6.029 -11.751 -2.273 1.00 0.00 C ATOM 0 H ILE A 14 9.323 -12.615 -2.996 1.00 0.00 H new ATOM 0 HA ILE A 14 9.887 -9.969 -2.118 1.00 0.00 H new ATOM 0 HB ILE A 14 8.151 -12.126 -0.844 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.068 -9.909 -2.552 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.807 -11.281 -3.354 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.949 -10.225 0.157 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.654 -10.268 0.668 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.125 -9.103 -0.569 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.390 -11.588 -3.141 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.261 -12.812 -2.187 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.511 -11.419 -1.373 1.00 0.00 H new ATOM 173 N VAL A 15 11.755 -10.465 -0.509 1.00 0.00 N ATOM 174 CA VAL A 15 12.733 -10.607 0.563 1.00 0.00 C ATOM 175 C VAL A 15 12.190 -10.058 1.878 1.00 0.00 C ATOM 176 O VAL A 15 12.555 -10.528 2.956 1.00 0.00 O ATOM 177 CB VAL A 15 14.049 -9.883 0.221 1.00 0.00 C ATOM 178 CG1 VAL A 15 13.820 -8.383 0.109 1.00 0.00 C ATOM 179 CG2 VAL A 15 15.112 -10.191 1.264 1.00 0.00 C ATOM 0 H VAL A 15 11.973 -9.732 -1.184 1.00 0.00 H new ATOM 0 HA VAL A 15 12.931 -11.673 0.672 1.00 0.00 H new ATOM 0 HB VAL A 15 14.403 -10.246 -0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.761 -7.888 -0.133 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.092 -8.184 -0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.443 -8.001 1.057 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.035 -9.672 1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 15 14.768 -9.857 2.243 1.00 0.00 H new ATOM 0 HG23 VAL A 15 15.295 -11.265 1.290 1.00 0.00 H new ATOM 189 N TYR A 16 11.317 -9.062 1.781 1.00 0.00 N ATOM 190 CA TYR A 16 10.725 -8.447 2.964 1.00 0.00 C ATOM 191 C TYR A 16 9.433 -7.718 2.609 1.00 0.00 C ATOM 192 O TYR A 16 9.285 -7.154 1.525 1.00 0.00 O ATOM 193 CB TYR A 16 11.713 -7.473 3.607 1.00 0.00 C ATOM 194 CG TYR A 16 11.056 -6.441 4.495 1.00 0.00 C ATOM 195 CD1 TYR A 16 10.213 -5.474 3.962 1.00 0.00 C ATOM 196 CD2 TYR A 16 11.277 -6.433 5.866 1.00 0.00 C ATOM 197 CE1 TYR A 16 9.610 -4.528 4.769 1.00 0.00 C ATOM 198 CE2 TYR A 16 10.678 -5.493 6.682 1.00 0.00 C ATOM 199 CZ TYR A 16 9.845 -4.542 6.128 1.00 0.00 C ATOM 200 OH TYR A 16 9.247 -3.603 6.937 1.00 0.00 O ATOM 0 H TYR A 16 11.003 -8.663 0.896 1.00 0.00 H new ATOM 0 HA TYR A 16 10.491 -9.239 3.676 1.00 0.00 H new ATOM 0 HB2 TYR A 16 12.436 -8.038 4.195 1.00 0.00 H new ATOM 0 HB3 TYR A 16 12.270 -6.962 2.821 1.00 0.00 H new ATOM 0 HD1 TYR A 16 10.026 -5.461 2.898 1.00 0.00 H new ATOM 0 HD2 TYR A 16 11.929 -7.175 6.302 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.959 -3.782 4.338 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.860 -5.502 7.746 1.00 0.00 H new ATOM 0 HH TYR A 16 9.516 -3.754 7.867 1.00 0.00 H new ATOM 210 N PRO A 17 8.473 -7.728 3.546 1.00 0.00 N ATOM 211 CA PRO A 17 8.637 -8.396 4.840 1.00 0.00 C ATOM 212 C PRO A 17 8.662 -9.915 4.709 1.00 0.00 C ATOM 213 O PRO A 17 8.354 -10.462 3.650 1.00 0.00 O ATOM 214 CB PRO A 17 7.405 -7.948 5.630 1.00 0.00 C ATOM 215 CG PRO A 17 6.387 -7.623 4.592 1.00 0.00 C ATOM 216 CD PRO A 17 7.153 -7.088 3.414 1.00 0.00 C ATOM 0 HA PRO A 17 9.583 -8.136 5.316 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.054 -8.736 6.296 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.627 -7.081 6.252 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.815 -8.509 4.316 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.674 -6.886 4.962 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.673 -7.348 2.471 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.229 -6.001 3.444 1.00 0.00 H new ATOM 224 N SER A 18 9.029 -10.592 5.793 1.00 0.00 N ATOM 225 CA SER A 18 9.097 -12.049 5.797 1.00 0.00 C ATOM 226 C SER A 18 7.907 -12.646 6.544 1.00 0.00 C ATOM 227 O SER A 18 8.069 -13.289 7.580 1.00 0.00 O ATOM 228 CB SER A 18 10.404 -12.518 6.440 1.00 0.00 C ATOM 229 OG SER A 18 11.526 -11.959 5.779 1.00 0.00 O ATOM 0 H SER A 18 9.284 -10.155 6.679 1.00 0.00 H new ATOM 0 HA SER A 18 9.065 -12.393 4.763 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.418 -12.233 7.492 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.461 -13.606 6.404 1.00 0.00 H new ATOM 0 HG SER A 18 12.349 -12.272 6.209 1.00 0.00 H new ATOM 235 N GLY A 19 6.710 -12.426 6.009 1.00 0.00 N ATOM 236 CA GLY A 19 5.510 -12.948 6.636 1.00 0.00 C ATOM 237 C GLY A 19 4.320 -12.024 6.469 1.00 0.00 C ATOM 238 O GLY A 19 4.103 -11.467 5.393 1.00 0.00 O ATOM 0 H GLY A 19 6.550 -11.896 5.153 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.273 -13.921 6.206 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.698 -13.105 7.698 1.00 0.00 H new ATOM 242 N LYS A 20 3.545 -11.862 7.536 1.00 0.00 N ATOM 243 CA LYS A 20 2.369 -11.000 7.504 1.00 0.00 C ATOM 244 C LYS A 20 2.667 -9.650 8.149 1.00 0.00 C ATOM 245 O LYS A 20 3.442 -9.563 9.101 1.00 0.00 O ATOM 246 CB LYS A 20 1.198 -11.673 8.223 1.00 0.00 C ATOM 247 CG LYS A 20 0.327 -12.518 7.309 1.00 0.00 C ATOM 248 CD LYS A 20 0.974 -13.859 7.007 1.00 0.00 C ATOM 249 CE LYS A 20 -0.070 -14.939 6.767 1.00 0.00 C ATOM 250 NZ LYS A 20 -0.458 -15.027 5.332 1.00 0.00 N ATOM 0 H LYS A 20 3.710 -12.316 8.434 1.00 0.00 H new ATOM 0 HA LYS A 20 2.099 -10.834 6.461 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.587 -12.302 9.023 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.581 -10.906 8.692 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.644 -12.679 7.777 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.147 -11.981 6.377 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.612 -13.767 6.128 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.616 -14.150 7.838 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.321 -15.901 7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.954 -14.730 7.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.171 -15.774 5.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.855 -14.117 5.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.380 -15.252 4.759 1.00 0.00 H new ATOM 264 N VAL A 21 2.045 -8.599 7.624 1.00 0.00 N ATOM 265 CA VAL A 21 2.242 -7.253 8.150 1.00 0.00 C ATOM 266 C VAL A 21 0.910 -6.531 8.325 1.00 0.00 C ATOM 267 O VAL A 21 0.228 -6.221 7.348 1.00 0.00 O ATOM 268 CB VAL A 21 3.149 -6.417 7.228 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.287 -4.998 7.758 1.00 0.00 C ATOM 270 CG2 VAL A 21 4.513 -7.076 7.084 1.00 0.00 C ATOM 0 H VAL A 21 1.401 -8.654 6.835 1.00 0.00 H new ATOM 0 HA VAL A 21 2.724 -7.360 9.121 1.00 0.00 H new ATOM 0 HB VAL A 21 2.688 -6.367 6.241 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.931 -4.422 7.093 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.304 -4.530 7.805 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.725 -5.023 8.756 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.141 -6.472 6.429 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.983 -7.158 8.064 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.393 -8.071 6.655 1.00 0.00 H new ATOM 280 N TYR A 22 0.547 -6.267 9.575 1.00 0.00 N ATOM 281 CA TYR A 22 -0.705 -5.583 9.878 1.00 0.00 C ATOM 282 C TYR A 22 -0.482 -4.081 10.029 1.00 0.00 C ATOM 283 O TYR A 22 0.415 -3.644 10.750 1.00 0.00 O ATOM 284 CB TYR A 22 -1.322 -6.149 11.158 1.00 0.00 C ATOM 285 CG TYR A 22 -1.907 -7.533 10.987 1.00 0.00 C ATOM 286 CD1 TYR A 22 -1.169 -8.553 10.401 1.00 0.00 C ATOM 287 CD2 TYR A 22 -3.198 -7.820 11.413 1.00 0.00 C ATOM 288 CE1 TYR A 22 -1.699 -9.819 10.243 1.00 0.00 C ATOM 289 CE2 TYR A 22 -3.737 -9.083 11.260 1.00 0.00 C ATOM 290 CZ TYR A 22 -2.984 -10.079 10.674 1.00 0.00 C ATOM 291 OH TYR A 22 -3.515 -11.338 10.519 1.00 0.00 O ATOM 0 H TYR A 22 1.101 -6.516 10.394 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.391 -5.749 9.047 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.560 -6.179 11.936 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.104 -5.473 11.504 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.163 -8.353 10.063 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.791 -7.042 11.872 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.111 -10.601 9.785 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.742 -9.289 11.597 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.428 -11.354 10.875 1.00 0.00 H new ATOM 301 N VAL A 23 -1.306 -3.296 9.343 1.00 0.00 N ATOM 302 CA VAL A 23 -1.202 -1.842 9.400 1.00 0.00 C ATOM 303 C VAL A 23 -2.553 -1.206 9.709 1.00 0.00 C ATOM 304 O VAL A 23 -3.582 -1.619 9.174 1.00 0.00 O ATOM 305 CB VAL A 23 -0.666 -1.265 8.077 1.00 0.00 C ATOM 306 CG1 VAL A 23 -0.504 0.244 8.179 1.00 0.00 C ATOM 307 CG2 VAL A 23 0.651 -1.927 7.703 1.00 0.00 C ATOM 0 H VAL A 23 -2.053 -3.642 8.741 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.501 -1.606 10.201 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.389 -1.476 7.289 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.124 0.634 7.235 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.470 0.700 8.398 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.198 0.481 8.978 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.016 -1.507 6.765 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.384 -1.749 8.490 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.498 -3.000 7.585 1.00 0.00 H new ATOM 317 N ALA A 24 -2.542 -0.199 10.576 1.00 0.00 N ATOM 318 CA ALA A 24 -3.766 0.496 10.954 1.00 0.00 C ATOM 319 C ALA A 24 -3.750 1.941 10.466 1.00 0.00 C ATOM 320 O ALA A 24 -2.887 2.727 10.853 1.00 0.00 O ATOM 321 CB ALA A 24 -3.956 0.449 12.463 1.00 0.00 C ATOM 0 H ALA A 24 -1.699 0.154 11.030 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.604 -0.012 10.477 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.874 0.972 12.731 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.021 -0.589 12.789 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.109 0.930 12.952 1.00 0.00 H new ATOM 327 N ALA A 25 -4.711 2.284 9.614 1.00 0.00 N ATOM 328 CA ALA A 25 -4.807 3.634 9.074 1.00 0.00 C ATOM 329 C ALA A 25 -6.133 4.284 9.455 1.00 0.00 C ATOM 330 O ALA A 25 -6.990 3.653 10.075 1.00 0.00 O ATOM 331 CB ALA A 25 -4.644 3.611 7.561 1.00 0.00 C ATOM 0 H ALA A 25 -5.434 1.645 9.283 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.002 4.229 9.506 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.718 4.626 7.172 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.669 3.195 7.306 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.428 2.995 7.120 1.00 0.00 H new ATOM 337 N VAL A 26 -6.296 5.549 9.081 1.00 0.00 N ATOM 338 CA VAL A 26 -7.518 6.285 9.383 1.00 0.00 C ATOM 339 C VAL A 26 -8.047 7.003 8.147 1.00 0.00 C ATOM 340 O VAL A 26 -7.299 7.278 7.209 1.00 0.00 O ATOM 341 CB VAL A 26 -7.290 7.316 10.505 1.00 0.00 C ATOM 342 CG1 VAL A 26 -8.581 7.571 11.266 1.00 0.00 C ATOM 343 CG2 VAL A 26 -6.191 6.845 11.445 1.00 0.00 C ATOM 0 H VAL A 26 -5.597 6.086 8.568 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.254 5.553 9.717 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.972 8.255 10.053 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.400 8.302 12.054 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.337 7.955 10.581 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.933 6.639 11.709 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.043 7.585 12.231 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.478 5.893 11.892 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.264 6.719 10.886 1.00 0.00 H new ATOM 353 N ARG A 27 -9.341 7.305 8.153 1.00 0.00 N ATOM 354 CA ARG A 27 -9.971 7.992 7.032 1.00 0.00 C ATOM 355 C ARG A 27 -9.129 9.181 6.580 1.00 0.00 C ATOM 356 O ARG A 27 -8.937 10.140 7.329 1.00 0.00 O ATOM 357 CB ARG A 27 -11.374 8.464 7.419 1.00 0.00 C ATOM 358 CG ARG A 27 -12.218 8.901 6.232 1.00 0.00 C ATOM 359 CD ARG A 27 -13.698 8.663 6.484 1.00 0.00 C ATOM 360 NE ARG A 27 -14.536 9.630 5.780 1.00 0.00 N ATOM 361 CZ ARG A 27 -15.825 9.437 5.524 1.00 0.00 C ATOM 362 NH1 ARG A 27 -16.421 8.319 5.913 1.00 0.00 N ATOM 363 NH2 ARG A 27 -16.520 10.365 4.878 1.00 0.00 N ATOM 0 H ARG A 27 -9.974 7.085 8.922 1.00 0.00 H new ATOM 0 HA ARG A 27 -10.048 7.288 6.204 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.888 7.658 7.943 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.289 9.295 8.119 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -12.047 9.959 6.032 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -11.907 8.354 5.342 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -13.962 7.655 6.165 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -13.897 8.722 7.554 1.00 0.00 H new ATOM 0 HE ARG A 27 -14.108 10.502 5.468 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -15.890 7.604 6.410 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -17.411 8.173 5.715 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -16.064 11.227 4.578 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -17.510 10.216 4.682 1.00 0.00 H new ATOM 377 N LEU A 28 -8.627 9.111 5.352 1.00 0.00 N ATOM 378 CA LEU A 28 -7.805 10.182 4.799 1.00 0.00 C ATOM 379 C LEU A 28 -6.457 10.255 5.510 1.00 0.00 C ATOM 380 O LEU A 28 -5.933 11.341 5.755 1.00 0.00 O ATOM 381 CB LEU A 28 -8.531 11.523 4.918 1.00 0.00 C ATOM 382 CG LEU A 28 -9.983 11.545 4.441 1.00 0.00 C ATOM 383 CD1 LEU A 28 -10.645 12.864 4.806 1.00 0.00 C ATOM 384 CD2 LEU A 28 -10.054 11.308 2.939 1.00 0.00 C ATOM 0 H LEU A 28 -8.775 8.324 4.720 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.629 9.965 3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.508 11.834 5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.972 12.267 4.351 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.522 10.741 4.942 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.678 12.861 4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.627 12.993 5.888 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.106 13.685 4.334 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.095 11.327 2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.499 12.090 2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.619 10.337 2.703 1.00 0.00 H new ATOM 396 N GLU A 29 -5.902 9.092 5.837 1.00 0.00 N ATOM 397 CA GLU A 29 -4.615 9.026 6.518 1.00 0.00 C ATOM 398 C GLU A 29 -3.489 8.736 5.529 1.00 0.00 C ATOM 399 O GLU A 29 -3.724 8.202 4.445 1.00 0.00 O ATOM 400 CB GLU A 29 -4.643 7.949 7.605 1.00 0.00 C ATOM 401 CG GLU A 29 -3.332 7.814 8.362 1.00 0.00 C ATOM 402 CD GLU A 29 -3.034 9.020 9.231 1.00 0.00 C ATOM 403 OE1 GLU A 29 -3.097 10.154 8.712 1.00 0.00 O ATOM 404 OE2 GLU A 29 -2.738 8.830 10.429 1.00 0.00 O ATOM 0 H GLU A 29 -6.323 8.184 5.641 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.428 9.995 6.980 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.439 8.180 8.313 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.890 6.990 7.149 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.367 6.921 8.986 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.518 7.674 7.650 1.00 0.00 H new ATOM 411 N ARG A 30 -2.268 9.094 5.910 1.00 0.00 N ATOM 412 CA ARG A 30 -1.106 8.874 5.057 1.00 0.00 C ATOM 413 C ARG A 30 -0.305 7.664 5.528 1.00 0.00 C ATOM 414 O ARG A 30 0.395 7.725 6.539 1.00 0.00 O ATOM 415 CB ARG A 30 -0.213 10.117 5.045 1.00 0.00 C ATOM 416 CG ARG A 30 1.025 9.969 4.176 1.00 0.00 C ATOM 417 CD ARG A 30 2.197 9.408 4.966 1.00 0.00 C ATOM 418 NE ARG A 30 3.478 9.711 4.333 1.00 0.00 N ATOM 419 CZ ARG A 30 4.004 10.929 4.286 1.00 0.00 C ATOM 420 NH1 ARG A 30 3.363 11.954 4.831 1.00 0.00 N ATOM 421 NH2 ARG A 30 5.175 11.125 3.692 1.00 0.00 N ATOM 0 H ARG A 30 -2.057 9.538 6.804 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.462 8.680 4.045 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.795 10.969 4.692 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.095 10.343 6.066 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.804 9.312 3.335 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.297 10.939 3.760 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.185 9.820 5.975 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.086 8.328 5.061 1.00 0.00 H new ATOM 0 HE ARG A 30 3.997 8.945 3.904 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.463 11.808 5.288 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.770 12.888 4.793 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.671 10.339 3.271 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.578 12.061 3.656 1.00 0.00 H new ATOM 435 N VAL A 31 -0.415 6.564 4.790 1.00 0.00 N ATOM 436 CA VAL A 31 0.298 5.339 5.132 1.00 0.00 C ATOM 437 C VAL A 31 1.445 5.082 4.161 1.00 0.00 C ATOM 438 O VAL A 31 1.465 5.615 3.051 1.00 0.00 O ATOM 439 CB VAL A 31 -0.644 4.121 5.130 1.00 0.00 C ATOM 440 CG1 VAL A 31 -1.783 4.326 6.117 1.00 0.00 C ATOM 441 CG2 VAL A 31 -1.181 3.866 3.729 1.00 0.00 C ATOM 0 H VAL A 31 -0.991 6.496 3.951 1.00 0.00 H new ATOM 0 HA VAL A 31 0.699 5.476 6.136 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.077 3.244 5.443 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.439 3.455 6.102 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.376 4.457 7.120 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.351 5.213 5.837 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.845 3.002 3.746 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.733 4.741 3.386 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.350 3.672 3.051 1.00 0.00 H new ATOM 451 N VAL A 32 2.401 4.262 4.585 1.00 0.00 N ATOM 452 CA VAL A 32 3.551 3.932 3.753 1.00 0.00 C ATOM 453 C VAL A 32 3.938 2.465 3.906 1.00 0.00 C ATOM 454 O VAL A 32 4.459 2.053 4.943 1.00 0.00 O ATOM 455 CB VAL A 32 4.767 4.810 4.102 1.00 0.00 C ATOM 456 CG1 VAL A 32 5.973 4.410 3.267 1.00 0.00 C ATOM 457 CG2 VAL A 32 4.435 6.282 3.904 1.00 0.00 C ATOM 0 H VAL A 32 2.401 3.814 5.501 1.00 0.00 H new ATOM 0 HA VAL A 32 3.259 4.122 2.720 1.00 0.00 H new ATOM 0 HB VAL A 32 5.016 4.655 5.152 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.822 5.042 3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.222 3.367 3.464 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.740 4.534 2.209 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.305 6.888 4.155 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.159 6.456 2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.602 6.557 4.551 1.00 0.00 H new ATOM 467 N LEU A 33 3.679 1.680 2.866 1.00 0.00 N ATOM 468 CA LEU A 33 4.000 0.257 2.883 1.00 0.00 C ATOM 469 C LEU A 33 5.466 0.025 2.531 1.00 0.00 C ATOM 470 O LEU A 33 6.038 0.736 1.704 1.00 0.00 O ATOM 471 CB LEU A 33 3.102 -0.501 1.903 1.00 0.00 C ATOM 472 CG LEU A 33 1.808 -1.072 2.482 1.00 0.00 C ATOM 473 CD1 LEU A 33 1.139 -0.058 3.396 1.00 0.00 C ATOM 474 CD2 LEU A 33 0.863 -1.491 1.365 1.00 0.00 C ATOM 0 H LEU A 33 3.248 2.005 2.001 1.00 0.00 H new ATOM 0 HA LEU A 33 3.824 -0.118 3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.845 0.170 1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.678 -1.321 1.474 1.00 0.00 H new ATOM 0 HG LEU A 33 2.055 -1.955 3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.219 -0.482 3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.812 0.193 4.216 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.905 0.844 2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.053 -1.895 1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.623 -0.625 0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.342 -2.253 0.750 1.00 0.00 H new ATOM 486 N THR A 34 6.070 -0.977 3.163 1.00 0.00 N ATOM 487 CA THR A 34 7.469 -1.303 2.917 1.00 0.00 C ATOM 488 C THR A 34 7.611 -2.704 2.331 1.00 0.00 C ATOM 489 O THR A 34 7.224 -3.691 2.957 1.00 0.00 O ATOM 490 CB THR A 34 8.303 -1.212 4.208 1.00 0.00 C ATOM 491 OG1 THR A 34 7.974 -0.014 4.920 1.00 0.00 O ATOM 492 CG2 THR A 34 9.791 -1.229 3.894 1.00 0.00 C ATOM 0 H THR A 34 5.612 -1.577 3.849 1.00 0.00 H new ATOM 0 HA THR A 34 7.843 -0.572 2.200 1.00 0.00 H new ATOM 0 HB THR A 34 8.069 -2.078 4.827 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.507 0.036 5.741 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.359 -1.164 4.822 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.043 -2.155 3.378 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.038 -0.380 3.257 1.00 0.00 H new ATOM 500 N CYS A 35 8.169 -2.782 1.128 1.00 0.00 N ATOM 501 CA CYS A 35 8.363 -4.063 0.458 1.00 0.00 C ATOM 502 C CYS A 35 9.683 -4.083 -0.306 1.00 0.00 C ATOM 503 O CYS A 35 9.815 -3.450 -1.353 1.00 0.00 O ATOM 504 CB CYS A 35 7.203 -4.343 -0.498 1.00 0.00 C ATOM 505 SG CYS A 35 6.867 -6.100 -0.758 1.00 0.00 S ATOM 0 H CYS A 35 8.495 -1.974 0.597 1.00 0.00 H new ATOM 0 HA CYS A 35 8.393 -4.842 1.220 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.303 -3.866 -0.110 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.420 -3.879 -1.460 1.00 0.00 H new ATOM 0 HG CYS A 35 7.670 -6.809 -0.021 1.00 0.00 H new ATOM 511 N GLU A 36 10.658 -4.813 0.227 1.00 0.00 N ATOM 512 CA GLU A 36 11.969 -4.912 -0.403 1.00 0.00 C ATOM 513 C GLU A 36 12.061 -6.164 -1.272 1.00 0.00 C ATOM 514 O GLU A 36 11.304 -7.118 -1.088 1.00 0.00 O ATOM 515 CB GLU A 36 13.070 -4.932 0.658 1.00 0.00 C ATOM 516 CG GLU A 36 14.472 -4.810 0.084 1.00 0.00 C ATOM 517 CD GLU A 36 15.435 -4.128 1.036 1.00 0.00 C ATOM 518 OE1 GLU A 36 15.327 -4.362 2.258 1.00 0.00 O ATOM 519 OE2 GLU A 36 16.296 -3.359 0.559 1.00 0.00 O ATOM 0 H GLU A 36 10.565 -5.344 1.093 1.00 0.00 H new ATOM 0 HA GLU A 36 12.105 -4.038 -1.039 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.902 -4.115 1.360 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.999 -5.860 1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.849 -5.804 -0.158 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.431 -4.248 -0.849 1.00 0.00 H new ATOM 526 N LEU A 37 12.994 -6.153 -2.218 1.00 0.00 N ATOM 527 CA LEU A 37 13.186 -7.286 -3.116 1.00 0.00 C ATOM 528 C LEU A 37 14.651 -7.712 -3.149 1.00 0.00 C ATOM 529 O LEU A 37 15.543 -6.929 -2.823 1.00 0.00 O ATOM 530 CB LEU A 37 12.715 -6.930 -4.527 1.00 0.00 C ATOM 531 CG LEU A 37 11.309 -6.338 -4.635 1.00 0.00 C ATOM 532 CD1 LEU A 37 11.049 -5.836 -6.047 1.00 0.00 C ATOM 533 CD2 LEU A 37 10.265 -7.369 -4.233 1.00 0.00 C ATOM 0 H LEU A 37 13.629 -5.372 -2.383 1.00 0.00 H new ATOM 0 HA LEU A 37 12.592 -8.120 -2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.421 -6.219 -4.956 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.757 -7.830 -5.141 1.00 0.00 H new ATOM 0 HG LEU A 37 11.237 -5.492 -3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 37 10.044 -5.418 -6.105 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.778 -5.065 -6.299 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.139 -6.664 -6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.270 -6.931 -4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.336 -8.235 -4.892 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.440 -7.681 -3.203 1.00 0.00 H new ATOM 545 N CYS A 38 14.890 -8.957 -3.547 1.00 0.00 N ATOM 546 CA CYS A 38 16.247 -9.487 -3.624 1.00 0.00 C ATOM 547 C CYS A 38 16.910 -9.094 -4.940 1.00 0.00 C ATOM 548 O CYS A 38 18.011 -9.549 -5.252 1.00 0.00 O ATOM 549 CB CYS A 38 16.231 -11.010 -3.482 1.00 0.00 C ATOM 550 SG CYS A 38 17.860 -11.743 -3.208 1.00 0.00 S ATOM 0 H CYS A 38 14.163 -9.618 -3.821 1.00 0.00 H new ATOM 0 HA CYS A 38 16.825 -9.059 -2.805 1.00 0.00 H new ATOM 0 HB2 CYS A 38 15.579 -11.280 -2.651 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.796 -11.444 -4.383 1.00 0.00 H new ATOM 0 HG CYS A 38 18.735 -11.151 -3.965 1.00 0.00 H new ATOM 556 N ARG A 39 16.232 -8.247 -5.708 1.00 0.00 N ATOM 557 CA ARG A 39 16.755 -7.795 -6.992 1.00 0.00 C ATOM 558 C ARG A 39 16.363 -6.344 -7.258 1.00 0.00 C ATOM 559 O ARG A 39 15.249 -5.912 -6.960 1.00 0.00 O ATOM 560 CB ARG A 39 16.237 -8.689 -8.121 1.00 0.00 C ATOM 561 CG ARG A 39 16.943 -10.032 -8.205 1.00 0.00 C ATOM 562 CD ARG A 39 18.369 -9.881 -8.711 1.00 0.00 C ATOM 563 NE ARG A 39 19.183 -11.056 -8.413 1.00 0.00 N ATOM 564 CZ ARG A 39 20.491 -11.121 -8.638 1.00 0.00 C ATOM 565 NH1 ARG A 39 21.129 -10.083 -9.161 1.00 0.00 N ATOM 566 NH2 ARG A 39 21.163 -12.226 -8.339 1.00 0.00 N ATOM 0 H ARG A 39 15.320 -7.860 -5.464 1.00 0.00 H new ATOM 0 HA ARG A 39 17.843 -7.859 -6.956 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.169 -8.857 -7.979 1.00 0.00 H new ATOM 0 HB3 ARG A 39 16.354 -8.166 -9.070 1.00 0.00 H new ATOM 0 HG2 ARG A 39 16.953 -10.501 -7.221 1.00 0.00 H new ATOM 0 HG3 ARG A 39 16.388 -10.695 -8.869 1.00 0.00 H new ATOM 0 HD2 ARG A 39 18.356 -9.713 -9.788 1.00 0.00 H new ATOM 0 HD3 ARG A 39 18.823 -9.001 -8.257 1.00 0.00 H new ATOM 0 HE ARG A 39 18.722 -11.872 -8.010 1.00 0.00 H new ATOM 0 HH11 ARG A 39 20.616 -9.232 -9.392 1.00 0.00 H new ATOM 0 HH12 ARG A 39 22.133 -10.135 -9.333 1.00 0.00 H new ATOM 0 HH21 ARG A 39 20.675 -13.026 -7.936 1.00 0.00 H new ATOM 0 HH22 ARG A 39 22.167 -12.275 -8.512 1.00 0.00 H new ATOM 580 N PRO A 40 17.299 -5.574 -7.832 1.00 0.00 N ATOM 581 CA PRO A 40 17.075 -4.161 -8.151 1.00 0.00 C ATOM 582 C PRO A 40 16.081 -3.974 -9.292 1.00 0.00 C ATOM 583 O PRO A 40 15.128 -3.203 -9.179 1.00 0.00 O ATOM 584 CB PRO A 40 18.463 -3.666 -8.564 1.00 0.00 C ATOM 585 CG PRO A 40 19.172 -4.885 -9.045 1.00 0.00 C ATOM 586 CD PRO A 40 18.648 -6.024 -8.215 1.00 0.00 C ATOM 0 HA PRO A 40 16.646 -3.617 -7.310 1.00 0.00 H new ATOM 0 HB2 PRO A 40 18.397 -2.911 -9.348 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.986 -3.209 -7.724 1.00 0.00 H new ATOM 0 HG2 PRO A 40 18.981 -5.055 -10.105 1.00 0.00 H new ATOM 0 HG3 PRO A 40 20.251 -4.781 -8.928 1.00 0.00 H new ATOM 0 HD2 PRO A 40 18.615 -6.954 -8.783 1.00 0.00 H new ATOM 0 HD3 PRO A 40 19.274 -6.206 -7.342 1.00 0.00 H new ATOM 594 N TRP A 41 16.309 -4.685 -10.391 1.00 0.00 N ATOM 595 CA TRP A 41 15.433 -4.598 -11.553 1.00 0.00 C ATOM 596 C TRP A 41 14.221 -5.508 -11.391 1.00 0.00 C ATOM 597 O TRP A 41 13.690 -6.031 -12.371 1.00 0.00 O ATOM 598 CB TRP A 41 16.199 -4.969 -12.824 1.00 0.00 C ATOM 599 CG TRP A 41 17.250 -6.014 -12.600 1.00 0.00 C ATOM 600 CD1 TRP A 41 18.596 -5.811 -12.490 1.00 0.00 C ATOM 601 CD2 TRP A 41 17.042 -7.423 -12.462 1.00 0.00 C ATOM 602 NE1 TRP A 41 19.237 -7.010 -12.291 1.00 0.00 N ATOM 603 CE2 TRP A 41 18.306 -8.014 -12.269 1.00 0.00 C ATOM 604 CE3 TRP A 41 15.910 -8.243 -12.481 1.00 0.00 C ATOM 605 CZ2 TRP A 41 18.467 -9.387 -12.098 1.00 0.00 C ATOM 606 CZ3 TRP A 41 16.072 -9.605 -12.310 1.00 0.00 C ATOM 607 CH2 TRP A 41 17.342 -10.166 -12.120 1.00 0.00 C ATOM 0 H TRP A 41 17.093 -5.328 -10.501 1.00 0.00 H new ATOM 0 HA TRP A 41 15.082 -3.569 -11.636 1.00 0.00 H new ATOM 0 HB2 TRP A 41 15.493 -5.328 -13.573 1.00 0.00 H new ATOM 0 HB3 TRP A 41 16.668 -4.073 -13.231 1.00 0.00 H new ATOM 0 HD1 TRP A 41 19.085 -4.850 -12.551 1.00 0.00 H new ATOM 0 HE1 TRP A 41 20.243 -7.132 -12.178 1.00 0.00 H new ATOM 0 HE3 TRP A 41 14.927 -7.820 -12.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 19.445 -9.821 -11.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 15.205 -10.248 -12.323 1.00 0.00 H new ATOM 0 HH2 TRP A 41 17.435 -11.234 -11.988 1.00 0.00 H new ATOM 618 N ALA A 42 13.788 -5.694 -10.149 1.00 0.00 N ATOM 619 CA ALA A 42 12.637 -6.540 -9.859 1.00 0.00 C ATOM 620 C ALA A 42 11.351 -5.722 -9.818 1.00 0.00 C ATOM 621 O ALA A 42 11.143 -4.923 -8.906 1.00 0.00 O ATOM 622 CB ALA A 42 12.840 -7.275 -8.543 1.00 0.00 C ATOM 0 H ALA A 42 14.217 -5.270 -9.327 1.00 0.00 H new ATOM 0 HA ALA A 42 12.545 -7.273 -10.661 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.973 -7.903 -8.339 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.732 -7.898 -8.608 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.961 -6.551 -7.737 1.00 0.00 H new ATOM 628 N GLU A 43 10.492 -5.928 -10.812 1.00 0.00 N ATOM 629 CA GLU A 43 9.227 -5.207 -10.889 1.00 0.00 C ATOM 630 C GLU A 43 8.133 -5.944 -10.122 1.00 0.00 C ATOM 631 O GLU A 43 7.918 -7.140 -10.320 1.00 0.00 O ATOM 632 CB GLU A 43 8.806 -5.024 -12.348 1.00 0.00 C ATOM 633 CG GLU A 43 8.464 -6.327 -13.051 1.00 0.00 C ATOM 634 CD GLU A 43 8.687 -6.257 -14.550 1.00 0.00 C ATOM 635 OE1 GLU A 43 9.758 -5.769 -14.967 1.00 0.00 O ATOM 636 OE2 GLU A 43 7.792 -6.691 -15.304 1.00 0.00 O ATOM 0 H GLU A 43 10.649 -6.588 -11.574 1.00 0.00 H new ATOM 0 HA GLU A 43 9.369 -4.227 -10.434 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.941 -4.362 -12.387 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.611 -4.529 -12.890 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.071 -7.131 -12.634 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.422 -6.579 -12.854 1.00 0.00 H new ATOM 643 N VAL A 44 7.445 -5.222 -9.243 1.00 0.00 N ATOM 644 CA VAL A 44 6.373 -5.806 -8.446 1.00 0.00 C ATOM 645 C VAL A 44 5.015 -5.252 -8.861 1.00 0.00 C ATOM 646 O VAL A 44 4.933 -4.270 -9.599 1.00 0.00 O ATOM 647 CB VAL A 44 6.584 -5.544 -6.943 1.00 0.00 C ATOM 648 CG1 VAL A 44 7.923 -6.104 -6.486 1.00 0.00 C ATOM 649 CG2 VAL A 44 6.490 -4.055 -6.644 1.00 0.00 C ATOM 0 H VAL A 44 7.611 -4.231 -9.065 1.00 0.00 H new ATOM 0 HA VAL A 44 6.394 -6.881 -8.627 1.00 0.00 H new ATOM 0 HB VAL A 44 5.796 -6.054 -6.389 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.055 -5.909 -5.422 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.948 -7.179 -6.664 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.727 -5.625 -7.044 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.641 -3.888 -5.578 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.256 -3.522 -7.207 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.505 -3.687 -6.933 1.00 0.00 H new ATOM 659 N ARG A 45 3.951 -5.888 -8.381 1.00 0.00 N ATOM 660 CA ARG A 45 2.595 -5.459 -8.703 1.00 0.00 C ATOM 661 C ARG A 45 1.650 -5.719 -7.533 1.00 0.00 C ATOM 662 O ARG A 45 1.545 -6.844 -7.046 1.00 0.00 O ATOM 663 CB ARG A 45 2.090 -6.185 -9.951 1.00 0.00 C ATOM 664 CG ARG A 45 0.693 -5.764 -10.378 1.00 0.00 C ATOM 665 CD ARG A 45 0.272 -6.455 -11.665 1.00 0.00 C ATOM 666 NE ARG A 45 1.209 -6.198 -12.756 1.00 0.00 N ATOM 667 CZ ARG A 45 1.088 -6.728 -13.968 1.00 0.00 C ATOM 668 NH1 ARG A 45 0.076 -7.539 -14.243 1.00 0.00 N ATOM 669 NH2 ARG A 45 1.982 -6.447 -14.908 1.00 0.00 N ATOM 0 H ARG A 45 4.002 -6.702 -7.768 1.00 0.00 H new ATOM 0 HA ARG A 45 2.617 -4.387 -8.899 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.782 -6.002 -10.773 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.095 -7.259 -9.763 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.018 -6.002 -9.587 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.664 -4.683 -10.518 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.201 -7.529 -11.493 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.722 -6.112 -11.952 1.00 0.00 H new ATOM 0 HE ARG A 45 1.999 -5.578 -12.577 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.613 -7.758 -13.523 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.014 -7.944 -15.175 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.762 -5.824 -14.700 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.889 -6.854 -15.839 1.00 0.00 H new ATOM 683 N TRP A 46 0.967 -4.671 -7.088 1.00 0.00 N ATOM 684 CA TRP A 46 0.031 -4.786 -5.975 1.00 0.00 C ATOM 685 C TRP A 46 -1.367 -5.136 -6.472 1.00 0.00 C ATOM 686 O TRP A 46 -1.853 -4.561 -7.447 1.00 0.00 O ATOM 687 CB TRP A 46 -0.009 -3.480 -5.179 1.00 0.00 C ATOM 688 CG TRP A 46 1.337 -3.040 -4.691 1.00 0.00 C ATOM 689 CD1 TRP A 46 2.324 -2.450 -5.428 1.00 0.00 C ATOM 690 CD2 TRP A 46 1.846 -3.157 -3.357 1.00 0.00 C ATOM 691 NE1 TRP A 46 3.415 -2.193 -4.633 1.00 0.00 N ATOM 692 CE2 TRP A 46 3.147 -2.617 -3.359 1.00 0.00 C ATOM 693 CE3 TRP A 46 1.329 -3.665 -2.162 1.00 0.00 C ATOM 694 CZ2 TRP A 46 3.935 -2.571 -2.212 1.00 0.00 C ATOM 695 CZ3 TRP A 46 2.112 -3.619 -1.025 1.00 0.00 C ATOM 696 CH2 TRP A 46 3.403 -3.075 -1.056 1.00 0.00 C ATOM 0 H TRP A 46 1.043 -3.732 -7.480 1.00 0.00 H new ATOM 0 HA TRP A 46 0.376 -5.590 -5.325 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.435 -2.695 -5.804 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.674 -3.604 -4.325 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.257 -2.219 -6.481 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.284 -1.757 -4.942 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.335 -4.086 -2.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 4.930 -2.153 -2.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 1.723 -4.009 -0.096 1.00 0.00 H new ATOM 0 HH2 TRP A 46 3.990 -3.053 -0.150 1.00 0.00 H new ATOM 707 N THR A 47 -2.010 -6.084 -5.798 1.00 0.00 N ATOM 708 CA THR A 47 -3.352 -6.511 -6.173 1.00 0.00 C ATOM 709 C THR A 47 -4.283 -6.523 -4.965 1.00 0.00 C ATOM 710 O THR A 47 -3.936 -7.047 -3.906 1.00 0.00 O ATOM 711 CB THR A 47 -3.338 -7.914 -6.809 1.00 0.00 C ATOM 712 OG1 THR A 47 -2.763 -8.859 -5.900 1.00 0.00 O ATOM 713 CG2 THR A 47 -2.550 -7.910 -8.110 1.00 0.00 C ATOM 0 H THR A 47 -1.623 -6.571 -4.989 1.00 0.00 H new ATOM 0 HA THR A 47 -3.719 -5.792 -6.905 1.00 0.00 H new ATOM 0 HB THR A 47 -4.367 -8.200 -7.026 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.160 -8.394 -5.283 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.554 -8.911 -8.541 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.008 -7.212 -8.811 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.523 -7.604 -7.912 1.00 0.00 H new ATOM 721 N LYS A 48 -5.467 -5.943 -5.131 1.00 0.00 N ATOM 722 CA LYS A 48 -6.450 -5.888 -4.055 1.00 0.00 C ATOM 723 C LYS A 48 -7.540 -6.935 -4.260 1.00 0.00 C ATOM 724 O LYS A 48 -8.426 -6.766 -5.097 1.00 0.00 O ATOM 725 CB LYS A 48 -7.075 -4.493 -3.979 1.00 0.00 C ATOM 726 CG LYS A 48 -7.544 -4.112 -2.585 1.00 0.00 C ATOM 727 CD LYS A 48 -8.720 -3.152 -2.636 1.00 0.00 C ATOM 728 CE LYS A 48 -8.871 -2.386 -1.330 1.00 0.00 C ATOM 729 NZ LYS A 48 -10.293 -2.041 -1.051 1.00 0.00 N ATOM 0 H LYS A 48 -5.769 -5.504 -6.001 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.938 -6.102 -3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.346 -3.758 -4.322 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.922 -4.445 -4.664 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.830 -5.010 -2.038 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.722 -3.653 -2.036 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.582 -2.449 -3.458 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.635 -3.707 -2.842 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.475 -2.985 -0.510 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.277 -1.473 -1.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.386 -1.721 -0.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.598 -1.281 -1.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.889 -2.880 -1.201 1.00 0.00 H new ATOM 743 N ASP A 49 -7.468 -8.015 -3.490 1.00 0.00 N ATOM 744 CA ASP A 49 -8.451 -9.088 -3.585 1.00 0.00 C ATOM 745 C ASP A 49 -8.421 -9.731 -4.968 1.00 0.00 C ATOM 746 O ASP A 49 -9.465 -9.997 -5.563 1.00 0.00 O ATOM 747 CB ASP A 49 -9.852 -8.554 -3.287 1.00 0.00 C ATOM 748 CG ASP A 49 -10.120 -8.427 -1.801 1.00 0.00 C ATOM 749 OD1 ASP A 49 -9.380 -7.681 -1.126 1.00 0.00 O ATOM 750 OD2 ASP A 49 -11.069 -9.075 -1.311 1.00 0.00 O ATOM 0 H ASP A 49 -6.739 -8.171 -2.793 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.196 -9.847 -2.845 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.974 -7.579 -3.760 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.593 -9.219 -3.731 1.00 0.00 H new ATOM 755 N GLY A 50 -7.217 -9.977 -5.476 1.00 0.00 N ATOM 756 CA GLY A 50 -7.074 -10.584 -6.786 1.00 0.00 C ATOM 757 C GLY A 50 -6.976 -9.556 -7.895 1.00 0.00 C ATOM 758 O GLY A 50 -6.303 -9.780 -8.900 1.00 0.00 O ATOM 0 H GLY A 50 -6.338 -9.767 -5.003 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.183 -11.211 -6.797 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.926 -11.237 -6.975 1.00 0.00 H new ATOM 762 N GLU A 51 -7.651 -8.425 -7.712 1.00 0.00 N ATOM 763 CA GLU A 51 -7.639 -7.360 -8.708 1.00 0.00 C ATOM 764 C GLU A 51 -6.350 -6.548 -8.620 1.00 0.00 C ATOM 765 O GLU A 51 -5.736 -6.452 -7.558 1.00 0.00 O ATOM 766 CB GLU A 51 -8.847 -6.441 -8.518 1.00 0.00 C ATOM 767 CG GLU A 51 -10.112 -6.952 -9.187 1.00 0.00 C ATOM 768 CD GLU A 51 -9.927 -7.203 -10.671 1.00 0.00 C ATOM 769 OE1 GLU A 51 -9.149 -6.459 -11.305 1.00 0.00 O ATOM 770 OE2 GLU A 51 -10.559 -8.141 -11.199 1.00 0.00 O ATOM 0 H GLU A 51 -8.212 -8.223 -6.884 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.692 -7.819 -9.695 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.035 -6.318 -7.451 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.609 -5.455 -8.916 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.427 -7.876 -8.703 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.913 -6.227 -9.042 1.00 0.00 H new ATOM 777 N GLU A 52 -5.946 -5.965 -9.745 1.00 0.00 N ATOM 778 CA GLU A 52 -4.730 -5.163 -9.795 1.00 0.00 C ATOM 779 C GLU A 52 -5.042 -3.686 -9.570 1.00 0.00 C ATOM 780 O GLU A 52 -5.765 -3.067 -10.352 1.00 0.00 O ATOM 781 CB GLU A 52 -4.026 -5.347 -11.141 1.00 0.00 C ATOM 782 CG GLU A 52 -2.890 -4.365 -11.374 1.00 0.00 C ATOM 783 CD GLU A 52 -2.536 -4.220 -12.841 1.00 0.00 C ATOM 784 OE1 GLU A 52 -3.450 -4.320 -13.686 1.00 0.00 O ATOM 785 OE2 GLU A 52 -1.343 -4.007 -13.144 1.00 0.00 O ATOM 0 H GLU A 52 -6.443 -6.033 -10.633 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.069 -5.503 -8.998 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.635 -6.363 -11.201 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.758 -5.240 -11.942 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.169 -3.390 -10.973 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.010 -4.696 -10.823 1.00 0.00 H new ATOM 792 N VAL A 53 -4.493 -3.128 -8.496 1.00 0.00 N ATOM 793 CA VAL A 53 -4.712 -1.724 -8.168 1.00 0.00 C ATOM 794 C VAL A 53 -4.271 -0.817 -9.311 1.00 0.00 C ATOM 795 O VAL A 53 -3.291 -1.101 -10.000 1.00 0.00 O ATOM 796 CB VAL A 53 -3.956 -1.323 -6.887 1.00 0.00 C ATOM 797 CG1 VAL A 53 -4.510 -2.069 -5.683 1.00 0.00 C ATOM 798 CG2 VAL A 53 -2.465 -1.584 -7.046 1.00 0.00 C ATOM 0 H VAL A 53 -3.893 -3.626 -7.838 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.782 -1.600 -8.003 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.100 -0.256 -6.720 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.963 -1.772 -4.788 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.566 -1.828 -5.560 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.399 -3.142 -5.837 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.946 -1.295 -6.132 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.300 -2.644 -7.238 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.080 -1.000 -7.882 1.00 0.00 H new ATOM 808 N VAL A 54 -5.002 0.276 -9.507 1.00 0.00 N ATOM 809 CA VAL A 54 -4.685 1.227 -10.566 1.00 0.00 C ATOM 810 C VAL A 54 -4.301 2.585 -9.988 1.00 0.00 C ATOM 811 O VAL A 54 -4.918 3.062 -9.037 1.00 0.00 O ATOM 812 CB VAL A 54 -5.873 1.409 -11.530 1.00 0.00 C ATOM 813 CG1 VAL A 54 -7.111 1.863 -10.772 1.00 0.00 C ATOM 814 CG2 VAL A 54 -5.519 2.398 -12.630 1.00 0.00 C ATOM 0 H VAL A 54 -5.817 0.525 -8.947 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.838 0.817 -11.117 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.093 0.448 -11.994 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.940 1.986 -11.469 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.374 1.115 -10.024 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.907 2.813 -10.279 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.369 2.515 -13.302 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.272 3.363 -12.186 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.662 2.027 -13.191 1.00 0.00 H new ATOM 824 N GLU A 55 -3.277 3.201 -10.571 1.00 0.00 N ATOM 825 CA GLU A 55 -2.811 4.505 -10.113 1.00 0.00 C ATOM 826 C GLU A 55 -3.967 5.497 -10.025 1.00 0.00 C ATOM 827 O GLU A 55 -4.908 5.441 -10.817 1.00 0.00 O ATOM 828 CB GLU A 55 -1.732 5.044 -11.055 1.00 0.00 C ATOM 829 CG GLU A 55 -0.323 4.629 -10.667 1.00 0.00 C ATOM 830 CD GLU A 55 0.603 4.519 -11.863 1.00 0.00 C ATOM 831 OE1 GLU A 55 0.266 3.775 -12.808 1.00 0.00 O ATOM 832 OE2 GLU A 55 1.664 5.178 -11.854 1.00 0.00 O ATOM 0 H GLU A 55 -2.755 2.819 -11.360 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.386 4.381 -9.117 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.938 4.696 -12.067 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.789 6.132 -11.074 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.084 5.354 -9.962 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.360 3.669 -10.151 1.00 0.00 H new ATOM 839 N SER A 56 -3.890 6.403 -9.056 1.00 0.00 N ATOM 840 CA SER A 56 -4.931 7.405 -8.861 1.00 0.00 C ATOM 841 C SER A 56 -4.496 8.448 -7.836 1.00 0.00 C ATOM 842 O SER A 56 -3.493 8.291 -7.141 1.00 0.00 O ATOM 843 CB SER A 56 -6.231 6.738 -8.407 1.00 0.00 C ATOM 844 OG SER A 56 -6.475 6.980 -7.032 1.00 0.00 O ATOM 0 H SER A 56 -3.117 6.464 -8.393 1.00 0.00 H new ATOM 0 HA SER A 56 -5.102 7.907 -9.814 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.064 7.117 -9.000 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.174 5.664 -8.586 1.00 0.00 H new ATOM 0 HG SER A 56 -7.312 6.545 -6.767 1.00 0.00 H new ATOM 850 N PRO A 57 -5.269 9.540 -7.741 1.00 0.00 N ATOM 851 CA PRO A 57 -4.985 10.631 -6.804 1.00 0.00 C ATOM 852 C PRO A 57 -5.212 10.223 -5.352 1.00 0.00 C ATOM 853 O PRO A 57 -5.027 11.024 -4.436 1.00 0.00 O ATOM 854 CB PRO A 57 -5.980 11.719 -7.215 1.00 0.00 C ATOM 855 CG PRO A 57 -7.102 10.983 -7.861 1.00 0.00 C ATOM 856 CD PRO A 57 -6.481 9.793 -8.539 1.00 0.00 C ATOM 0 HA PRO A 57 -3.943 10.947 -6.850 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.325 12.287 -6.351 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.525 12.431 -7.904 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.840 10.670 -7.122 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.620 11.616 -8.581 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.151 8.933 -8.535 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.239 10.005 -9.581 1.00 0.00 H new ATOM 864 N ALA A 58 -5.614 8.972 -5.150 1.00 0.00 N ATOM 865 CA ALA A 58 -5.864 8.457 -3.809 1.00 0.00 C ATOM 866 C ALA A 58 -4.906 7.320 -3.471 1.00 0.00 C ATOM 867 O ALA A 58 -4.781 6.925 -2.311 1.00 0.00 O ATOM 868 CB ALA A 58 -7.306 7.991 -3.683 1.00 0.00 C ATOM 0 H ALA A 58 -5.773 8.297 -5.898 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.692 9.265 -3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.478 7.609 -2.677 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.977 8.829 -3.873 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.498 7.201 -4.409 1.00 0.00 H new ATOM 874 N LEU A 59 -4.233 6.797 -4.490 1.00 0.00 N ATOM 875 CA LEU A 59 -3.287 5.703 -4.300 1.00 0.00 C ATOM 876 C LEU A 59 -1.995 5.961 -5.070 1.00 0.00 C ATOM 877 O LEU A 59 -1.936 5.770 -6.285 1.00 0.00 O ATOM 878 CB LEU A 59 -3.908 4.380 -4.753 1.00 0.00 C ATOM 879 CG LEU A 59 -3.003 3.151 -4.671 1.00 0.00 C ATOM 880 CD1 LEU A 59 -3.817 1.909 -4.344 1.00 0.00 C ATOM 881 CD2 LEU A 59 -2.240 2.963 -5.974 1.00 0.00 C ATOM 0 H LEU A 59 -4.325 7.113 -5.456 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.050 5.641 -3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.796 4.193 -4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.241 4.493 -5.785 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.281 3.308 -3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.156 1.044 -4.290 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.317 2.044 -3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.563 1.747 -5.122 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.601 2.083 -5.898 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.946 2.828 -6.793 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.626 3.843 -6.166 1.00 0.00 H new ATOM 893 N LEU A 60 -0.963 6.393 -4.354 1.00 0.00 N ATOM 894 CA LEU A 60 0.329 6.675 -4.969 1.00 0.00 C ATOM 895 C LEU A 60 1.265 5.477 -4.845 1.00 0.00 C ATOM 896 O LEU A 60 1.446 4.927 -3.757 1.00 0.00 O ATOM 897 CB LEU A 60 0.968 7.905 -4.320 1.00 0.00 C ATOM 898 CG LEU A 60 0.123 9.179 -4.322 1.00 0.00 C ATOM 899 CD1 LEU A 60 0.816 10.280 -3.534 1.00 0.00 C ATOM 900 CD2 LEU A 60 -0.154 9.634 -5.747 1.00 0.00 C ATOM 0 H LEU A 60 -0.996 6.556 -3.348 1.00 0.00 H new ATOM 0 HA LEU A 60 0.163 6.875 -6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.216 7.659 -3.288 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.907 8.115 -4.832 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.830 8.960 -3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.200 11.179 -3.546 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.962 9.954 -2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.784 10.497 -3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.757 10.542 -5.728 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.789 9.835 -6.255 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.694 8.851 -6.280 1.00 0.00 H new ATOM 912 N LEU A 61 1.859 5.078 -5.964 1.00 0.00 N ATOM 913 CA LEU A 61 2.779 3.946 -5.980 1.00 0.00 C ATOM 914 C LEU A 61 4.228 4.422 -6.006 1.00 0.00 C ATOM 915 O LEU A 61 4.697 4.956 -7.010 1.00 0.00 O ATOM 916 CB LEU A 61 2.501 3.055 -7.192 1.00 0.00 C ATOM 917 CG LEU A 61 1.097 2.455 -7.277 1.00 0.00 C ATOM 918 CD1 LEU A 61 0.975 1.551 -8.493 1.00 0.00 C ATOM 919 CD2 LEU A 61 0.767 1.689 -6.004 1.00 0.00 C ATOM 0 H LEU A 61 1.720 5.521 -6.872 1.00 0.00 H new ATOM 0 HA LEU A 61 2.622 3.369 -5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.680 3.638 -8.095 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.224 2.239 -7.191 1.00 0.00 H new ATOM 0 HG LEU A 61 0.380 3.269 -7.383 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.031 1.133 -8.536 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.167 2.129 -9.397 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.701 0.741 -8.419 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.236 1.269 -6.082 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.488 0.883 -5.867 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.812 2.365 -5.150 1.00 0.00 H new ATOM 931 N GLN A 62 4.930 4.222 -4.895 1.00 0.00 N ATOM 932 CA GLN A 62 6.327 4.629 -4.792 1.00 0.00 C ATOM 933 C GLN A 62 7.258 3.475 -5.145 1.00 0.00 C ATOM 934 O GLN A 62 6.956 2.313 -4.873 1.00 0.00 O ATOM 935 CB GLN A 62 6.630 5.132 -3.379 1.00 0.00 C ATOM 936 CG GLN A 62 5.920 6.429 -3.029 1.00 0.00 C ATOM 937 CD GLN A 62 5.941 7.432 -4.167 1.00 0.00 C ATOM 938 OE1 GLN A 62 6.921 7.528 -4.906 1.00 0.00 O ATOM 939 NE2 GLN A 62 4.858 8.185 -4.313 1.00 0.00 N ATOM 0 H GLN A 62 4.555 3.781 -4.055 1.00 0.00 H new ATOM 0 HA GLN A 62 6.497 5.438 -5.502 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.343 4.365 -2.660 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.705 5.277 -3.277 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.886 6.212 -2.760 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.391 6.871 -2.151 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.068 8.072 -3.677 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.815 8.877 -5.061 1.00 0.00 H new ATOM 948 N LYS A 63 8.394 3.802 -5.753 1.00 0.00 N ATOM 949 CA LYS A 63 9.371 2.793 -6.143 1.00 0.00 C ATOM 950 C LYS A 63 10.788 3.249 -5.808 1.00 0.00 C ATOM 951 O LYS A 63 11.299 4.199 -6.400 1.00 0.00 O ATOM 952 CB LYS A 63 9.260 2.498 -7.641 1.00 0.00 C ATOM 953 CG LYS A 63 7.909 1.940 -8.052 1.00 0.00 C ATOM 954 CD LYS A 63 7.748 1.925 -9.563 1.00 0.00 C ATOM 955 CE LYS A 63 7.349 3.293 -10.095 1.00 0.00 C ATOM 956 NZ LYS A 63 8.537 4.144 -10.383 1.00 0.00 N ATOM 0 H LYS A 63 8.660 4.759 -5.986 1.00 0.00 H new ATOM 0 HA LYS A 63 9.159 1.883 -5.583 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.450 3.415 -8.198 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.038 1.788 -7.922 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.799 0.928 -7.663 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.116 2.540 -7.607 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.684 1.612 -10.026 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.993 1.190 -9.842 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.760 3.172 -11.004 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.711 3.794 -9.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.386 4.661 -11.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.674 4.823 -9.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.381 3.543 -10.471 1.00 0.00 H new ATOM 970 N GLU A 64 11.415 2.565 -4.857 1.00 0.00 N ATOM 971 CA GLU A 64 12.773 2.901 -4.444 1.00 0.00 C ATOM 972 C GLU A 64 13.800 2.177 -5.310 1.00 0.00 C ATOM 973 O GLU A 64 13.443 1.459 -6.245 1.00 0.00 O ATOM 974 CB GLU A 64 12.987 2.542 -2.972 1.00 0.00 C ATOM 975 CG GLU A 64 13.886 3.518 -2.232 1.00 0.00 C ATOM 976 CD GLU A 64 13.631 4.960 -2.626 1.00 0.00 C ATOM 977 OE1 GLU A 64 12.541 5.479 -2.302 1.00 0.00 O ATOM 978 OE2 GLU A 64 14.519 5.569 -3.256 1.00 0.00 O ATOM 0 H GLU A 64 11.005 1.775 -4.358 1.00 0.00 H new ATOM 0 HA GLU A 64 12.908 3.975 -4.571 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.019 2.502 -2.472 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.420 1.544 -2.909 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.732 3.406 -1.159 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.928 3.269 -2.432 1.00 0.00 H new ATOM 985 N ASP A 65 15.075 2.372 -4.993 1.00 0.00 N ATOM 986 CA ASP A 65 16.154 1.737 -5.741 1.00 0.00 C ATOM 987 C ASP A 65 15.906 0.240 -5.889 1.00 0.00 C ATOM 988 O ASP A 65 15.668 -0.256 -6.991 1.00 0.00 O ATOM 989 CB ASP A 65 17.495 1.978 -5.046 1.00 0.00 C ATOM 990 CG ASP A 65 18.157 3.267 -5.494 1.00 0.00 C ATOM 991 OD1 ASP A 65 18.113 3.565 -6.706 1.00 0.00 O ATOM 992 OD2 ASP A 65 18.719 3.976 -4.633 1.00 0.00 O ATOM 0 H ASP A 65 15.387 2.964 -4.223 1.00 0.00 H new ATOM 0 HA ASP A 65 16.183 2.182 -6.736 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.341 2.008 -3.967 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.162 1.141 -5.250 1.00 0.00 H new ATOM 997 N THR A 66 15.963 -0.478 -4.771 1.00 0.00 N ATOM 998 CA THR A 66 15.747 -1.919 -4.776 1.00 0.00 C ATOM 999 C THR A 66 14.530 -2.295 -3.939 1.00 0.00 C ATOM 1000 O THR A 66 14.201 -3.473 -3.797 1.00 0.00 O ATOM 1001 CB THR A 66 16.978 -2.674 -4.239 1.00 0.00 C ATOM 1002 OG1 THR A 66 17.600 -1.917 -3.195 1.00 0.00 O ATOM 1003 CG2 THR A 66 17.982 -2.933 -5.353 1.00 0.00 C ATOM 0 H THR A 66 16.157 -0.084 -3.850 1.00 0.00 H new ATOM 0 HA THR A 66 15.576 -2.209 -5.813 1.00 0.00 H new ATOM 0 HB THR A 66 16.645 -3.633 -3.842 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.380 -2.404 -2.858 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.843 -3.467 -4.950 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.514 -3.534 -6.132 1.00 0.00 H new ATOM 0 HG23 THR A 66 18.310 -1.983 -5.776 1.00 0.00 H new ATOM 1011 N VAL A 67 13.863 -1.287 -3.386 1.00 0.00 N ATOM 1012 CA VAL A 67 12.680 -1.512 -2.564 1.00 0.00 C ATOM 1013 C VAL A 67 11.498 -0.690 -3.065 1.00 0.00 C ATOM 1014 O VAL A 67 11.671 0.413 -3.584 1.00 0.00 O ATOM 1015 CB VAL A 67 12.947 -1.160 -1.088 1.00 0.00 C ATOM 1016 CG1 VAL A 67 13.664 0.176 -0.979 1.00 0.00 C ATOM 1017 CG2 VAL A 67 11.645 -1.142 -0.302 1.00 0.00 C ATOM 0 H VAL A 67 14.122 -0.306 -3.492 1.00 0.00 H new ATOM 0 HA VAL A 67 12.439 -2.572 -2.639 1.00 0.00 H new ATOM 0 HB VAL A 67 13.593 -1.927 -0.660 1.00 0.00 H new ATOM 0 HG11 VAL A 67 13.844 0.408 0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 67 14.616 0.122 -1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.047 0.957 -1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.852 -0.892 0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.973 -0.397 -0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.176 -2.125 -0.353 1.00 0.00 H new ATOM 1027 N ARG A 68 10.296 -1.234 -2.906 1.00 0.00 N ATOM 1028 CA ARG A 68 9.084 -0.552 -3.343 1.00 0.00 C ATOM 1029 C ARG A 68 8.251 -0.103 -2.146 1.00 0.00 C ATOM 1030 O ARG A 68 8.357 -0.667 -1.057 1.00 0.00 O ATOM 1031 CB ARG A 68 8.252 -1.469 -4.242 1.00 0.00 C ATOM 1032 CG ARG A 68 9.024 -2.020 -5.430 1.00 0.00 C ATOM 1033 CD ARG A 68 8.994 -1.060 -6.608 1.00 0.00 C ATOM 1034 NE ARG A 68 9.766 -1.561 -7.742 1.00 0.00 N ATOM 1035 CZ ARG A 68 11.092 -1.637 -7.752 1.00 0.00 C ATOM 1036 NH1 ARG A 68 11.789 -1.248 -6.694 1.00 0.00 N ATOM 1037 NH2 ARG A 68 11.723 -2.104 -8.822 1.00 0.00 N ATOM 0 H ARG A 68 10.136 -2.146 -2.478 1.00 0.00 H new ATOM 0 HA ARG A 68 9.379 0.331 -3.910 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.874 -2.301 -3.648 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.385 -0.918 -4.607 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.057 -2.207 -5.138 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.598 -2.978 -5.729 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.961 -0.897 -6.916 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.391 -0.093 -6.298 1.00 0.00 H new ATOM 0 HE ARG A 68 9.259 -1.869 -8.572 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.307 -0.889 -5.870 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.807 -1.307 -6.704 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.190 -2.405 -9.638 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.741 -2.162 -8.829 1.00 0.00 H new ATOM 1051 N ARG A 69 7.423 0.916 -2.357 1.00 0.00 N ATOM 1052 CA ARG A 69 6.574 1.441 -1.295 1.00 0.00 C ATOM 1053 C ARG A 69 5.250 1.950 -1.859 1.00 0.00 C ATOM 1054 O ARG A 69 5.190 2.433 -2.990 1.00 0.00 O ATOM 1055 CB ARG A 69 7.290 2.569 -0.550 1.00 0.00 C ATOM 1056 CG ARG A 69 8.387 2.083 0.383 1.00 0.00 C ATOM 1057 CD ARG A 69 8.766 3.147 1.400 1.00 0.00 C ATOM 1058 NE ARG A 69 9.839 4.011 0.915 1.00 0.00 N ATOM 1059 CZ ARG A 69 10.042 5.248 1.354 1.00 0.00 C ATOM 1060 NH1 ARG A 69 9.250 5.764 2.284 1.00 0.00 N ATOM 1061 NH2 ARG A 69 11.041 5.972 0.864 1.00 0.00 N ATOM 0 H ARG A 69 7.323 1.393 -3.253 1.00 0.00 H new ATOM 0 HA ARG A 69 6.365 0.630 -0.597 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.722 3.257 -1.277 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.558 3.134 0.027 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.053 1.185 0.902 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.265 1.806 -0.200 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.891 3.753 1.634 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.078 2.667 2.327 1.00 0.00 H new ATOM 0 HE ARG A 69 10.467 3.644 0.200 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.482 5.211 2.664 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.409 6.714 2.619 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.654 5.578 0.150 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.196 6.922 1.202 1.00 0.00 H new ATOM 1075 N LEU A 70 4.192 1.837 -1.064 1.00 0.00 N ATOM 1076 CA LEU A 70 2.869 2.286 -1.484 1.00 0.00 C ATOM 1077 C LEU A 70 2.321 3.338 -0.526 1.00 0.00 C ATOM 1078 O LEU A 70 1.845 3.015 0.563 1.00 0.00 O ATOM 1079 CB LEU A 70 1.907 1.099 -1.559 1.00 0.00 C ATOM 1080 CG LEU A 70 0.421 1.428 -1.413 1.00 0.00 C ATOM 1081 CD1 LEU A 70 -0.010 2.433 -2.470 1.00 0.00 C ATOM 1082 CD2 LEU A 70 -0.418 0.162 -1.505 1.00 0.00 C ATOM 0 H LEU A 70 4.224 1.439 -0.126 1.00 0.00 H new ATOM 0 HA LEU A 70 2.962 2.735 -2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.055 0.597 -2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.179 0.387 -0.780 1.00 0.00 H new ATOM 0 HG LEU A 70 0.263 1.874 -0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.070 2.655 -2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.568 3.350 -2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.163 2.015 -3.462 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.473 0.416 -1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.255 -0.313 -2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.128 -0.525 -0.710 1.00 0.00 H new ATOM 1094 N VAL A 71 2.390 4.600 -0.939 1.00 0.00 N ATOM 1095 CA VAL A 71 1.898 5.701 -0.119 1.00 0.00 C ATOM 1096 C VAL A 71 0.498 6.124 -0.550 1.00 0.00 C ATOM 1097 O VAL A 71 0.184 6.150 -1.740 1.00 0.00 O ATOM 1098 CB VAL A 71 2.837 6.920 -0.193 1.00 0.00 C ATOM 1099 CG1 VAL A 71 2.222 8.113 0.522 1.00 0.00 C ATOM 1100 CG2 VAL A 71 4.198 6.580 0.394 1.00 0.00 C ATOM 0 H VAL A 71 2.782 4.885 -1.837 1.00 0.00 H new ATOM 0 HA VAL A 71 1.865 5.340 0.909 1.00 0.00 H new ATOM 0 HB VAL A 71 2.975 7.187 -1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.900 8.964 0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.273 8.369 0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.052 7.862 1.569 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.849 7.452 0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.081 6.286 1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.641 5.757 -0.167 1.00 0.00 H new ATOM 1110 N LEU A 72 -0.340 6.457 0.426 1.00 0.00 N ATOM 1111 CA LEU A 72 -1.708 6.880 0.148 1.00 0.00 C ATOM 1112 C LEU A 72 -1.992 8.245 0.768 1.00 0.00 C ATOM 1113 O LEU A 72 -2.154 8.381 1.981 1.00 0.00 O ATOM 1114 CB LEU A 72 -2.701 5.847 0.684 1.00 0.00 C ATOM 1115 CG LEU A 72 -2.769 4.524 -0.079 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -1.578 3.645 0.270 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -4.074 3.801 0.223 1.00 0.00 C ATOM 0 H LEU A 72 -0.096 6.442 1.416 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.825 6.961 -0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.447 5.632 1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.695 6.294 0.685 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.735 4.740 -1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.643 2.708 -0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.655 4.160 0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.581 3.437 1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.105 2.861 -0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.138 3.597 1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.915 4.426 -0.078 1.00 0.00 H new ATOM 1129 N PRO A 73 -2.056 9.280 -0.083 1.00 0.00 N ATOM 1130 CA PRO A 73 -2.323 10.652 0.358 1.00 0.00 C ATOM 1131 C PRO A 73 -3.757 10.835 0.844 1.00 0.00 C ATOM 1132 O PRO A 73 -4.092 11.853 1.450 1.00 0.00 O ATOM 1133 CB PRO A 73 -2.075 11.484 -0.902 1.00 0.00 C ATOM 1134 CG PRO A 73 -2.312 10.542 -2.031 1.00 0.00 C ATOM 1135 CD PRO A 73 -1.873 9.190 -1.541 1.00 0.00 C ATOM 0 HA PRO A 73 -1.697 10.938 1.204 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.750 12.339 -0.951 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.059 11.879 -0.922 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.364 10.531 -2.316 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.746 10.840 -2.913 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.475 8.391 -1.973 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.835 8.985 -1.804 1.00 0.00 H new ATOM 1143 N ALA A 74 -4.600 9.844 0.575 1.00 0.00 N ATOM 1144 CA ALA A 74 -5.997 9.895 0.986 1.00 0.00 C ATOM 1145 C ALA A 74 -6.639 8.514 0.924 1.00 0.00 C ATOM 1146 O ALA A 74 -6.892 7.984 -0.159 1.00 0.00 O ATOM 1147 CB ALA A 74 -6.768 10.878 0.117 1.00 0.00 C ATOM 0 H ALA A 74 -4.339 8.995 0.073 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.033 10.237 2.020 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.810 10.906 0.436 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.332 11.872 0.217 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.715 10.562 -0.925 1.00 0.00 H new ATOM 1153 N VAL A 75 -6.901 7.934 2.091 1.00 0.00 N ATOM 1154 CA VAL A 75 -7.514 6.613 2.168 1.00 0.00 C ATOM 1155 C VAL A 75 -8.974 6.710 2.598 1.00 0.00 C ATOM 1156 O VAL A 75 -9.430 7.761 3.047 1.00 0.00 O ATOM 1157 CB VAL A 75 -6.759 5.701 3.153 1.00 0.00 C ATOM 1158 CG1 VAL A 75 -5.262 5.956 3.077 1.00 0.00 C ATOM 1159 CG2 VAL A 75 -7.272 5.907 4.570 1.00 0.00 C ATOM 0 H VAL A 75 -6.698 8.358 2.996 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.460 6.179 1.169 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.941 4.664 2.872 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.745 5.302 3.780 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.909 5.753 2.066 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.057 6.996 3.330 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.727 5.255 5.253 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.122 6.946 4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.335 5.668 4.610 1.00 0.00 H new ATOM 1169 N GLN A 76 -9.700 5.606 2.458 1.00 0.00 N ATOM 1170 CA GLN A 76 -11.109 5.566 2.833 1.00 0.00 C ATOM 1171 C GLN A 76 -11.464 4.230 3.476 1.00 0.00 C ATOM 1172 O GLN A 76 -10.860 3.201 3.169 1.00 0.00 O ATOM 1173 CB GLN A 76 -11.991 5.806 1.606 1.00 0.00 C ATOM 1174 CG GLN A 76 -12.075 7.266 1.193 1.00 0.00 C ATOM 1175 CD GLN A 76 -12.286 7.440 -0.298 1.00 0.00 C ATOM 1176 OE1 GLN A 76 -13.213 6.872 -0.876 1.00 0.00 O ATOM 1177 NE2 GLN A 76 -11.424 8.228 -0.930 1.00 0.00 N ATOM 0 H GLN A 76 -9.337 4.728 2.088 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.288 6.357 3.561 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.604 5.223 0.771 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.996 5.437 1.813 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -12.894 7.745 1.730 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -11.158 7.776 1.488 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.670 8.679 -0.411 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.516 8.382 -1.934 1.00 0.00 H new ATOM 1186 N LEU A 77 -12.447 4.252 4.369 1.00 0.00 N ATOM 1187 CA LEU A 77 -12.883 3.041 5.057 1.00 0.00 C ATOM 1188 C LEU A 77 -13.015 1.877 4.079 1.00 0.00 C ATOM 1189 O LEU A 77 -12.741 0.729 4.426 1.00 0.00 O ATOM 1190 CB LEU A 77 -14.218 3.284 5.762 1.00 0.00 C ATOM 1191 CG LEU A 77 -14.221 4.370 6.838 1.00 0.00 C ATOM 1192 CD1 LEU A 77 -15.637 4.636 7.325 1.00 0.00 C ATOM 1193 CD2 LEU A 77 -13.322 3.972 7.999 1.00 0.00 C ATOM 0 H LEU A 77 -12.957 5.094 4.634 1.00 0.00 H new ATOM 0 HA LEU A 77 -12.129 2.783 5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -14.962 3.545 5.009 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.541 2.348 6.218 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.831 5.289 6.400 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -15.619 5.412 8.090 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.253 4.966 6.489 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -16.055 3.721 7.745 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.336 4.757 8.756 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.682 3.040 8.435 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.303 3.833 7.639 1.00 0.00 H new ATOM 1205 N GLU A 78 -13.435 2.184 2.856 1.00 0.00 N ATOM 1206 CA GLU A 78 -13.602 1.163 1.828 1.00 0.00 C ATOM 1207 C GLU A 78 -12.253 0.582 1.414 1.00 0.00 C ATOM 1208 O GLU A 78 -12.134 -0.615 1.152 1.00 0.00 O ATOM 1209 CB GLU A 78 -14.315 1.748 0.607 1.00 0.00 C ATOM 1210 CG GLU A 78 -15.806 1.957 0.815 1.00 0.00 C ATOM 1211 CD GLU A 78 -16.586 0.657 0.788 1.00 0.00 C ATOM 1212 OE1 GLU A 78 -16.406 -0.162 1.714 1.00 0.00 O ATOM 1213 OE2 GLU A 78 -17.377 0.459 -0.158 1.00 0.00 O ATOM 0 H GLU A 78 -13.666 3.130 2.553 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.211 0.361 2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.855 2.702 0.351 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.165 1.083 -0.244 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -15.970 2.455 1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.188 2.622 0.040 1.00 0.00 H new ATOM 1220 N ASP A 79 -11.240 1.440 1.355 1.00 0.00 N ATOM 1221 CA ASP A 79 -9.899 1.014 0.973 1.00 0.00 C ATOM 1222 C ASP A 79 -9.411 -0.118 1.873 1.00 0.00 C ATOM 1223 O ASP A 79 -8.601 -0.947 1.459 1.00 0.00 O ATOM 1224 CB ASP A 79 -8.927 2.192 1.043 1.00 0.00 C ATOM 1225 CG ASP A 79 -9.125 3.174 -0.095 1.00 0.00 C ATOM 1226 OD1 ASP A 79 -10.250 3.694 -0.240 1.00 0.00 O ATOM 1227 OD2 ASP A 79 -8.154 3.422 -0.841 1.00 0.00 O ATOM 0 H ASP A 79 -11.322 2.434 1.567 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.940 0.647 -0.053 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.057 2.710 1.993 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -7.904 1.817 1.022 1.00 0.00 H new ATOM 1232 N SER A 80 -9.909 -0.144 3.105 1.00 0.00 N ATOM 1233 CA SER A 80 -9.520 -1.171 4.065 1.00 0.00 C ATOM 1234 C SER A 80 -9.847 -2.563 3.533 1.00 0.00 C ATOM 1235 O SER A 80 -10.980 -2.840 3.140 1.00 0.00 O ATOM 1236 CB SER A 80 -10.229 -0.944 5.401 1.00 0.00 C ATOM 1237 OG SER A 80 -11.567 -1.410 5.355 1.00 0.00 O ATOM 0 H SER A 80 -10.582 0.534 3.462 1.00 0.00 H new ATOM 0 HA SER A 80 -8.443 -1.103 4.217 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.688 -1.459 6.195 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.219 0.118 5.646 1.00 0.00 H new ATOM 0 HG SER A 80 -12.147 -0.704 5.002 1.00 0.00 H new ATOM 1243 N GLY A 81 -8.845 -3.437 3.525 1.00 0.00 N ATOM 1244 CA GLY A 81 -9.044 -4.790 3.040 1.00 0.00 C ATOM 1245 C GLY A 81 -7.789 -5.633 3.141 1.00 0.00 C ATOM 1246 O GLY A 81 -7.133 -5.658 4.182 1.00 0.00 O ATOM 0 H GLY A 81 -7.899 -3.232 3.846 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.843 -5.263 3.611 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.372 -4.756 2.001 1.00 0.00 H new ATOM 1250 N GLU A 82 -7.455 -6.327 2.057 1.00 0.00 N ATOM 1251 CA GLU A 82 -6.270 -7.177 2.031 1.00 0.00 C ATOM 1252 C GLU A 82 -5.366 -6.814 0.857 1.00 0.00 C ATOM 1253 O GLU A 82 -5.626 -7.200 -0.283 1.00 0.00 O ATOM 1254 CB GLU A 82 -6.675 -8.650 1.941 1.00 0.00 C ATOM 1255 CG GLU A 82 -5.684 -9.595 2.600 1.00 0.00 C ATOM 1256 CD GLU A 82 -6.139 -11.041 2.557 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -6.484 -11.521 1.457 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -6.151 -11.691 3.623 1.00 0.00 O ATOM 0 H GLU A 82 -7.987 -6.317 1.187 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.717 -7.015 2.956 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.652 -8.779 2.407 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.784 -8.925 0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.718 -9.507 2.103 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.537 -9.295 3.638 1.00 0.00 H new ATOM 1265 N TYR A 83 -4.304 -6.069 1.144 1.00 0.00 N ATOM 1266 CA TYR A 83 -3.363 -5.651 0.112 1.00 0.00 C ATOM 1267 C TYR A 83 -2.298 -6.719 -0.119 1.00 0.00 C ATOM 1268 O TYR A 83 -1.444 -6.958 0.736 1.00 0.00 O ATOM 1269 CB TYR A 83 -2.698 -4.330 0.504 1.00 0.00 C ATOM 1270 CG TYR A 83 -3.496 -3.109 0.104 1.00 0.00 C ATOM 1271 CD1 TYR A 83 -4.779 -2.902 0.596 1.00 0.00 C ATOM 1272 CD2 TYR A 83 -2.968 -2.164 -0.766 1.00 0.00 C ATOM 1273 CE1 TYR A 83 -5.512 -1.789 0.233 1.00 0.00 C ATOM 1274 CE2 TYR A 83 -3.693 -1.047 -1.133 1.00 0.00 C ATOM 1275 CZ TYR A 83 -4.965 -0.864 -0.631 1.00 0.00 C ATOM 1276 OH TYR A 83 -5.691 0.247 -0.996 1.00 0.00 O ATOM 0 H TYR A 83 -4.074 -5.742 2.082 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.919 -5.510 -0.815 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.545 -4.316 1.583 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.713 -4.277 0.041 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -5.210 -3.624 1.274 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -1.973 -2.305 -1.162 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.508 -1.644 0.624 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.266 -0.321 -1.809 1.00 0.00 H new ATOM 0 HH TYR A 83 -5.160 0.798 -1.609 1.00 0.00 H new ATOM 1286 N LEU A 84 -2.355 -7.360 -1.282 1.00 0.00 N ATOM 1287 CA LEU A 84 -1.397 -8.403 -1.629 1.00 0.00 C ATOM 1288 C LEU A 84 -0.451 -7.929 -2.728 1.00 0.00 C ATOM 1289 O LEU A 84 -0.881 -7.621 -3.840 1.00 0.00 O ATOM 1290 CB LEU A 84 -2.130 -9.667 -2.081 1.00 0.00 C ATOM 1291 CG LEU A 84 -2.367 -10.726 -1.004 1.00 0.00 C ATOM 1292 CD1 LEU A 84 -1.083 -11.486 -0.710 1.00 0.00 C ATOM 1293 CD2 LEU A 84 -2.911 -10.085 0.264 1.00 0.00 C ATOM 0 H LEU A 84 -3.055 -7.175 -2.000 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.808 -8.631 -0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.096 -9.375 -2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.561 -10.123 -2.892 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.107 -11.434 -1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.272 -12.235 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.735 -11.978 -1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.321 -10.790 -0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.074 -10.854 1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.194 -9.354 0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.855 -9.587 0.044 1.00 0.00 H new ATOM 1305 N CYS A 85 0.838 -7.877 -2.410 1.00 0.00 N ATOM 1306 CA CYS A 85 1.845 -7.442 -3.371 1.00 0.00 C ATOM 1307 C CYS A 85 2.435 -8.635 -4.117 1.00 0.00 C ATOM 1308 O CYS A 85 3.204 -9.413 -3.552 1.00 0.00 O ATOM 1309 CB CYS A 85 2.957 -6.669 -2.662 1.00 0.00 C ATOM 1310 SG CYS A 85 4.136 -5.876 -3.781 1.00 0.00 S ATOM 0 H CYS A 85 1.210 -8.131 -1.495 1.00 0.00 H new ATOM 0 HA CYS A 85 1.361 -6.786 -4.095 1.00 0.00 H new ATOM 0 HB2 CYS A 85 2.506 -5.906 -2.027 1.00 0.00 H new ATOM 0 HB3 CYS A 85 3.498 -7.351 -2.006 1.00 0.00 H new ATOM 0 HG CYS A 85 3.951 -4.589 -3.766 1.00 0.00 H new ATOM 1316 N GLU A 86 2.069 -8.772 -5.387 1.00 0.00 N ATOM 1317 CA GLU A 86 2.561 -9.872 -6.209 1.00 0.00 C ATOM 1318 C GLU A 86 3.693 -9.407 -7.120 1.00 0.00 C ATOM 1319 O GLU A 86 3.576 -8.387 -7.800 1.00 0.00 O ATOM 1320 CB GLU A 86 1.424 -10.459 -7.048 1.00 0.00 C ATOM 1321 CG GLU A 86 0.166 -10.753 -6.248 1.00 0.00 C ATOM 1322 CD GLU A 86 -0.653 -11.882 -6.844 1.00 0.00 C ATOM 1323 OE1 GLU A 86 -1.179 -11.706 -7.963 1.00 0.00 O ATOM 1324 OE2 GLU A 86 -0.770 -12.940 -6.191 1.00 0.00 O ATOM 0 H GLU A 86 1.434 -8.136 -5.869 1.00 0.00 H new ATOM 0 HA GLU A 86 2.948 -10.644 -5.544 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.180 -9.763 -7.851 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.769 -11.380 -7.518 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.442 -11.010 -5.225 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.446 -9.853 -6.197 1.00 0.00 H new ATOM 1331 N ILE A 87 4.786 -10.161 -7.128 1.00 0.00 N ATOM 1332 CA ILE A 87 5.939 -9.827 -7.955 1.00 0.00 C ATOM 1333 C ILE A 87 6.054 -10.774 -9.145 1.00 0.00 C ATOM 1334 O ILE A 87 5.738 -10.406 -10.277 1.00 0.00 O ATOM 1335 CB ILE A 87 7.247 -9.877 -7.145 1.00 0.00 C ATOM 1336 CG1 ILE A 87 8.411 -10.311 -8.039 1.00 0.00 C ATOM 1337 CG2 ILE A 87 7.101 -10.822 -5.961 1.00 0.00 C ATOM 1338 CD1 ILE A 87 9.746 -9.744 -7.611 1.00 0.00 C ATOM 0 H ILE A 87 4.898 -11.008 -6.571 1.00 0.00 H new ATOM 0 HA ILE A 87 5.784 -8.810 -8.316 1.00 0.00 H new ATOM 0 HB ILE A 87 7.459 -8.878 -6.764 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.471 -11.399 -8.040 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.206 -10.002 -9.064 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.034 -10.847 -5.398 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.296 -10.473 -5.314 1.00 0.00 H new ATOM 0 HG23 ILE A 87 6.868 -11.824 -6.322 1.00 0.00 H new ATOM 0 HD11 ILE A 87 10.524 -10.093 -8.290 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.704 -8.655 -7.637 1.00 0.00 H new ATOM 0 HD13 ILE A 87 9.973 -10.074 -6.597 1.00 0.00 H new ATOM 1350 N ASP A 88 6.508 -11.994 -8.881 1.00 0.00 N ATOM 1351 CA ASP A 88 6.663 -12.995 -9.930 1.00 0.00 C ATOM 1352 C ASP A 88 5.732 -14.180 -9.692 1.00 0.00 C ATOM 1353 O ASP A 88 4.751 -14.366 -10.412 1.00 0.00 O ATOM 1354 CB ASP A 88 8.113 -13.476 -9.995 1.00 0.00 C ATOM 1355 CG ASP A 88 8.531 -13.868 -11.399 1.00 0.00 C ATOM 1356 OD1 ASP A 88 8.036 -14.900 -11.900 1.00 0.00 O ATOM 1357 OD2 ASP A 88 9.351 -13.142 -11.998 1.00 0.00 O ATOM 0 H ASP A 88 6.775 -12.314 -7.950 1.00 0.00 H new ATOM 0 HA ASP A 88 6.398 -12.533 -10.881 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.771 -12.687 -9.630 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.240 -14.330 -9.330 1.00 0.00 H new ATOM 1362 N ASP A 89 6.046 -14.978 -8.678 1.00 0.00 N ATOM 1363 CA ASP A 89 5.237 -16.145 -8.344 1.00 0.00 C ATOM 1364 C ASP A 89 4.758 -16.079 -6.897 1.00 0.00 C ATOM 1365 O ASP A 89 3.820 -16.776 -6.512 1.00 0.00 O ATOM 1366 CB ASP A 89 6.037 -17.428 -8.571 1.00 0.00 C ATOM 1367 CG ASP A 89 6.822 -17.400 -9.869 1.00 0.00 C ATOM 1368 OD1 ASP A 89 7.701 -16.524 -10.012 1.00 0.00 O ATOM 1369 OD2 ASP A 89 6.557 -18.253 -10.741 1.00 0.00 O ATOM 0 H ASP A 89 6.855 -14.839 -8.073 1.00 0.00 H new ATOM 0 HA ASP A 89 4.364 -16.150 -8.997 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.724 -17.577 -7.738 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.357 -18.280 -8.579 1.00 0.00 H new ATOM 1374 N GLU A 90 5.410 -15.237 -6.101 1.00 0.00 N ATOM 1375 CA GLU A 90 5.051 -15.082 -4.697 1.00 0.00 C ATOM 1376 C GLU A 90 4.306 -13.770 -4.467 1.00 0.00 C ATOM 1377 O GLU A 90 4.258 -12.909 -5.345 1.00 0.00 O ATOM 1378 CB GLU A 90 6.303 -15.131 -3.819 1.00 0.00 C ATOM 1379 CG GLU A 90 7.138 -16.385 -4.019 1.00 0.00 C ATOM 1380 CD GLU A 90 6.484 -17.621 -3.434 1.00 0.00 C ATOM 1381 OE1 GLU A 90 5.240 -17.639 -3.323 1.00 0.00 O ATOM 1382 OE2 GLU A 90 7.216 -18.571 -3.087 1.00 0.00 O ATOM 0 H GLU A 90 6.189 -14.652 -6.405 1.00 0.00 H new ATOM 0 HA GLU A 90 4.392 -15.906 -4.424 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.919 -14.257 -4.030 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.005 -15.066 -2.772 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.307 -16.538 -5.085 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.116 -16.243 -3.558 1.00 0.00 H new ATOM 1389 N SER A 91 3.727 -13.625 -3.279 1.00 0.00 N ATOM 1390 CA SER A 91 2.982 -12.421 -2.934 1.00 0.00 C ATOM 1391 C SER A 91 3.162 -12.074 -1.459 1.00 0.00 C ATOM 1392 O SER A 91 3.357 -12.955 -0.622 1.00 0.00 O ATOM 1393 CB SER A 91 1.496 -12.608 -3.248 1.00 0.00 C ATOM 1394 OG SER A 91 0.976 -13.751 -2.590 1.00 0.00 O ATOM 0 H SER A 91 3.760 -14.327 -2.540 1.00 0.00 H new ATOM 0 HA SER A 91 3.372 -11.598 -3.533 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.941 -11.722 -2.938 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.358 -12.710 -4.324 1.00 0.00 H new ATOM 0 HG SER A 91 0.025 -13.848 -2.805 1.00 0.00 H new ATOM 1400 N ALA A 92 3.095 -10.783 -1.149 1.00 0.00 N ATOM 1401 CA ALA A 92 3.249 -10.318 0.224 1.00 0.00 C ATOM 1402 C ALA A 92 1.905 -9.918 0.822 1.00 0.00 C ATOM 1403 O ALA A 92 1.103 -9.245 0.175 1.00 0.00 O ATOM 1404 CB ALA A 92 4.222 -9.150 0.280 1.00 0.00 C ATOM 0 H ALA A 92 2.935 -10.041 -1.830 1.00 0.00 H new ATOM 0 HA ALA A 92 3.651 -11.140 0.817 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.327 -8.813 1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.194 -9.467 -0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.843 -8.331 -0.332 1.00 0.00 H new ATOM 1410 N SER A 93 1.664 -10.338 2.060 1.00 0.00 N ATOM 1411 CA SER A 93 0.414 -10.028 2.743 1.00 0.00 C ATOM 1412 C SER A 93 0.520 -8.703 3.494 1.00 0.00 C ATOM 1413 O SER A 93 1.349 -8.549 4.391 1.00 0.00 O ATOM 1414 CB SER A 93 0.048 -11.150 3.716 1.00 0.00 C ATOM 1415 OG SER A 93 -0.991 -10.747 4.592 1.00 0.00 O ATOM 0 H SER A 93 2.318 -10.894 2.610 1.00 0.00 H new ATOM 0 HA SER A 93 -0.370 -9.939 1.991 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.265 -12.032 3.158 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.927 -11.434 4.295 1.00 0.00 H new ATOM 0 HG SER A 93 -1.525 -11.528 4.848 1.00 0.00 H new ATOM 1421 N PHE A 94 -0.326 -7.750 3.120 1.00 0.00 N ATOM 1422 CA PHE A 94 -0.328 -6.437 3.755 1.00 0.00 C ATOM 1423 C PHE A 94 -1.740 -6.039 4.177 1.00 0.00 C ATOM 1424 O PHE A 94 -2.539 -5.581 3.360 1.00 0.00 O ATOM 1425 CB PHE A 94 0.248 -5.385 2.805 1.00 0.00 C ATOM 1426 CG PHE A 94 1.744 -5.440 2.687 1.00 0.00 C ATOM 1427 CD1 PHE A 94 2.551 -4.911 3.682 1.00 0.00 C ATOM 1428 CD2 PHE A 94 2.344 -6.019 1.580 1.00 0.00 C ATOM 1429 CE1 PHE A 94 3.928 -4.960 3.576 1.00 0.00 C ATOM 1430 CE2 PHE A 94 3.721 -6.071 1.469 1.00 0.00 C ATOM 1431 CZ PHE A 94 4.514 -5.540 2.468 1.00 0.00 C ATOM 0 H PHE A 94 -1.019 -7.862 2.380 1.00 0.00 H new ATOM 0 HA PHE A 94 0.297 -6.492 4.646 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.192 -5.520 1.817 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.045 -4.394 3.152 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.098 -4.455 4.550 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.729 -6.434 0.795 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.545 -4.545 4.359 1.00 0.00 H new ATOM 0 HE2 PHE A 94 4.176 -6.526 0.602 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.590 -5.578 2.383 1.00 0.00 H new ATOM 1441 N THR A 95 -2.041 -6.219 5.459 1.00 0.00 N ATOM 1442 CA THR A 95 -3.355 -5.881 5.990 1.00 0.00 C ATOM 1443 C THR A 95 -3.453 -4.394 6.311 1.00 0.00 C ATOM 1444 O THR A 95 -2.641 -3.856 7.064 1.00 0.00 O ATOM 1445 CB THR A 95 -3.673 -6.691 7.262 1.00 0.00 C ATOM 1446 OG1 THR A 95 -3.692 -8.090 6.959 1.00 0.00 O ATOM 1447 CG2 THR A 95 -5.014 -6.275 7.847 1.00 0.00 C ATOM 0 H THR A 95 -1.392 -6.597 6.149 1.00 0.00 H new ATOM 0 HA THR A 95 -4.082 -6.132 5.217 1.00 0.00 H new ATOM 0 HB THR A 95 -2.895 -6.490 7.999 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.893 -8.598 7.772 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.217 -6.860 8.744 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.986 -5.216 8.103 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.801 -6.450 7.114 1.00 0.00 H new ATOM 1455 N VAL A 96 -4.453 -3.733 5.736 1.00 0.00 N ATOM 1456 CA VAL A 96 -4.658 -2.308 5.963 1.00 0.00 C ATOM 1457 C VAL A 96 -6.070 -2.029 6.466 1.00 0.00 C ATOM 1458 O VAL A 96 -7.023 -1.990 5.688 1.00 0.00 O ATOM 1459 CB VAL A 96 -4.413 -1.494 4.678 1.00 0.00 C ATOM 1460 CG1 VAL A 96 -4.717 -0.022 4.912 1.00 0.00 C ATOM 1461 CG2 VAL A 96 -2.983 -1.682 4.193 1.00 0.00 C ATOM 0 H VAL A 96 -5.134 -4.162 5.109 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.938 -2.002 6.722 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.086 -1.860 3.903 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.538 0.537 3.993 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.760 0.091 5.209 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.071 0.362 5.702 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.827 -1.100 3.285 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.290 -1.344 4.964 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.806 -2.737 3.983 1.00 0.00 H new ATOM 1471 N THR A 97 -6.197 -1.834 7.775 1.00 0.00 N ATOM 1472 CA THR A 97 -7.492 -1.559 8.384 1.00 0.00 C ATOM 1473 C THR A 97 -7.680 -0.066 8.628 1.00 0.00 C ATOM 1474 O THR A 97 -6.934 0.547 9.392 1.00 0.00 O ATOM 1475 CB THR A 97 -7.656 -2.310 9.719 1.00 0.00 C ATOM 1476 OG1 THR A 97 -7.502 -3.718 9.512 1.00 0.00 O ATOM 1477 CG2 THR A 97 -9.019 -2.029 10.334 1.00 0.00 C ATOM 0 H THR A 97 -5.419 -1.862 8.433 1.00 0.00 H new ATOM 0 HA THR A 97 -8.250 -1.908 7.683 1.00 0.00 H new ATOM 0 HB THR A 97 -6.886 -1.958 10.405 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.606 -4.187 10.366 1.00 0.00 H new ATOM 0 HG21 THR A 97 -9.112 -2.570 11.276 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.122 -0.960 10.518 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.802 -2.356 9.649 1.00 0.00 H new ATOM 1485 N VAL A 98 -8.681 0.514 7.973 1.00 0.00 N ATOM 1486 CA VAL A 98 -8.967 1.936 8.120 1.00 0.00 C ATOM 1487 C VAL A 98 -10.212 2.161 8.971 1.00 0.00 C ATOM 1488 O VAL A 98 -11.212 1.456 8.828 1.00 0.00 O ATOM 1489 CB VAL A 98 -9.166 2.613 6.751 1.00 0.00 C ATOM 1490 CG1 VAL A 98 -9.470 4.093 6.926 1.00 0.00 C ATOM 1491 CG2 VAL A 98 -7.938 2.413 5.875 1.00 0.00 C ATOM 0 H VAL A 98 -9.307 0.021 7.336 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.105 2.382 8.616 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.018 2.148 6.255 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -9.607 4.554 5.948 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.380 4.210 7.514 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.640 4.576 7.442 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.096 2.898 4.911 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.067 2.851 6.363 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.770 1.347 5.722 1.00 0.00 H new ATOM 1501 N THR A 99 -10.146 3.149 9.858 1.00 0.00 N ATOM 1502 CA THR A 99 -11.267 3.467 10.734 1.00 0.00 C ATOM 1503 C THR A 99 -11.542 4.966 10.752 1.00 0.00 C ATOM 1504 O THR A 99 -10.852 5.741 10.090 1.00 0.00 O ATOM 1505 CB THR A 99 -11.009 2.986 12.174 1.00 0.00 C ATOM 1506 OG1 THR A 99 -9.740 3.467 12.632 1.00 0.00 O ATOM 1507 CG2 THR A 99 -11.039 1.467 12.251 1.00 0.00 C ATOM 0 H THR A 99 -9.327 3.743 9.989 1.00 0.00 H new ATOM 0 HA THR A 99 -12.137 2.945 10.336 1.00 0.00 H new ATOM 0 HB THR A 99 -11.799 3.382 12.812 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.585 3.158 13.549 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.854 1.151 13.278 1.00 0.00 H new ATOM 0 HG22 THR A 99 -12.016 1.106 11.930 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.268 1.054 11.600 1.00 0.00 H new ATOM 1515 N GLU A 100 -12.554 5.368 11.515 1.00 0.00 N ATOM 1516 CA GLU A 100 -12.919 6.776 11.618 1.00 0.00 C ATOM 1517 C GLU A 100 -11.992 7.509 12.584 1.00 0.00 C ATOM 1518 O GLU A 100 -11.679 7.025 13.671 1.00 0.00 O ATOM 1519 CB GLU A 100 -14.370 6.917 12.081 1.00 0.00 C ATOM 1520 CG GLU A 100 -15.372 6.247 11.156 1.00 0.00 C ATOM 1521 CD GLU A 100 -16.641 5.830 11.874 1.00 0.00 C ATOM 1522 OE1 GLU A 100 -17.497 6.704 12.123 1.00 0.00 O ATOM 1523 OE2 GLU A 100 -16.778 4.628 12.186 1.00 0.00 O ATOM 0 H GLU A 100 -13.135 4.739 12.070 1.00 0.00 H new ATOM 0 HA GLU A 100 -12.815 7.225 10.630 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -14.467 6.489 13.079 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -14.615 7.976 12.163 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -15.625 6.930 10.345 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -14.911 5.370 10.702 1.00 0.00 H new ATOM 1530 N PRO A 101 -11.541 8.705 12.177 1.00 0.00 N ATOM 1531 CA PRO A 101 -10.644 9.531 12.991 1.00 0.00 C ATOM 1532 C PRO A 101 -11.339 10.102 14.222 1.00 0.00 C ATOM 1533 O PRO A 101 -12.562 10.053 14.353 1.00 0.00 O ATOM 1534 CB PRO A 101 -10.236 10.657 12.037 1.00 0.00 C ATOM 1535 CG PRO A 101 -11.353 10.746 11.056 1.00 0.00 C ATOM 1536 CD PRO A 101 -11.873 9.344 10.893 1.00 0.00 C ATOM 0 HA PRO A 101 -9.803 8.957 13.380 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.101 11.598 12.570 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.291 10.433 11.542 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -12.136 11.413 11.416 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.005 11.147 10.104 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.947 9.333 10.705 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.397 8.834 10.055 1.00 0.00 H new ATOM 1544 N PRO A 102 -10.542 10.657 15.148 1.00 0.00 N ATOM 1545 CA PRO A 102 -11.060 11.249 16.385 1.00 0.00 C ATOM 1546 C PRO A 102 -11.830 12.540 16.132 1.00 0.00 C ATOM 1547 O PRO A 102 -11.792 13.092 15.033 1.00 0.00 O ATOM 1548 CB PRO A 102 -9.795 11.531 17.199 1.00 0.00 C ATOM 1549 CG PRO A 102 -8.716 11.680 16.183 1.00 0.00 C ATOM 1550 CD PRO A 102 -9.076 10.750 15.058 1.00 0.00 C ATOM 0 HA PRO A 102 -11.769 10.590 16.887 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.903 12.436 17.797 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.579 10.716 17.890 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.650 12.710 15.832 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.744 11.424 16.605 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.757 11.144 14.093 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.604 9.775 15.176 1.00 0.00 H new