USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=18 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= 0.0366 USER MOD Set 1.2: A 85 CYS SG : rot 95:sc= 0.299 USER MOD Set 2.1: A 20 LYS NZ :NH3+ -134:sc= 0.96 (180deg=-0.301) USER MOD Set 2.2: A 93 SER OG : rot -100:sc= 0.949 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 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 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -26:sc= 0.542 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.0545 USER MOD Single : A 62 GLN : amide:sc= -0.463 K(o=-0.46,f=-0.99) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -66:sc= 1.11 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 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 11.036 -14.197 -4.261 1.00 0.00 N ATOM 131 CA TRP A 13 11.184 -12.844 -4.787 1.00 0.00 C ATOM 132 C TRP A 13 11.072 -11.811 -3.671 1.00 0.00 C ATOM 133 O TRP A 13 11.961 -10.979 -3.492 1.00 0.00 O ATOM 134 CB TRP A 13 10.127 -12.573 -5.858 1.00 0.00 C ATOM 135 CG TRP A 13 10.486 -13.129 -7.202 1.00 0.00 C ATOM 136 CD1 TRP A 13 9.860 -14.149 -7.861 1.00 0.00 C ATOM 137 CD2 TRP A 13 11.557 -12.699 -8.050 1.00 0.00 C ATOM 138 NE1 TRP A 13 10.477 -14.377 -9.068 1.00 0.00 N ATOM 139 CE2 TRP A 13 11.520 -13.501 -9.207 1.00 0.00 C ATOM 140 CE3 TRP A 13 12.541 -11.713 -7.944 1.00 0.00 C ATOM 141 CZ2 TRP A 13 12.431 -13.346 -10.249 1.00 0.00 C ATOM 142 CZ3 TRP A 13 13.445 -11.561 -8.979 1.00 0.00 C ATOM 143 CH2 TRP A 13 13.385 -12.373 -10.119 1.00 0.00 C ATOM 0 HA TRP A 13 12.174 -12.761 -5.235 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.177 -13.002 -5.538 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.977 -11.497 -5.946 1.00 0.00 H new ATOM 0 HD1 TRP A 13 9.006 -14.696 -7.489 1.00 0.00 H new ATOM 0 HE1 TRP A 13 10.202 -15.084 -9.750 1.00 0.00 H new ATOM 0 HE3 TRP A 13 12.595 -11.081 -7.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 12.386 -13.971 -11.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 14.211 -10.803 -8.907 1.00 0.00 H new ATOM 0 HH2 TRP A 13 14.105 -12.229 -10.911 1.00 0.00 H new ATOM 154 N ILE A 14 9.975 -11.871 -2.924 1.00 0.00 N ATOM 155 CA ILE A 14 9.749 -10.941 -1.824 1.00 0.00 C ATOM 156 C ILE A 14 10.720 -11.199 -0.677 1.00 0.00 C ATOM 157 O ILE A 14 10.532 -12.123 0.114 1.00 0.00 O ATOM 158 CB ILE A 14 8.306 -11.038 -1.293 1.00 0.00 C ATOM 159 CG1 ILE A 14 7.305 -10.796 -2.424 1.00 0.00 C ATOM 160 CG2 ILE A 14 8.090 -10.040 -0.165 1.00 0.00 C ATOM 161 CD1 ILE A 14 5.994 -11.527 -2.237 1.00 0.00 C ATOM 0 H ILE A 14 9.229 -12.553 -3.060 1.00 0.00 H new ATOM 0 HA ILE A 14 9.916 -9.939 -2.219 1.00 0.00 H new ATOM 0 HB ILE A 14 8.145 -12.042 -0.901 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.108 -9.727 -2.501 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.753 -11.106 -3.368 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.066 -10.120 0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.783 -10.255 0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.266 -9.030 -0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.333 -11.309 -3.076 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.179 -12.600 -2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.524 -11.199 -1.310 1.00 0.00 H new ATOM 173 N VAL A 15 11.759 -10.373 -0.592 1.00 0.00 N ATOM 174 CA VAL A 15 12.759 -10.510 0.460 1.00 0.00 C ATOM 175 C VAL A 15 12.240 -9.964 1.786 1.00 0.00 C ATOM 176 O VAL A 15 12.664 -10.398 2.857 1.00 0.00 O ATOM 177 CB VAL A 15 14.064 -9.779 0.093 1.00 0.00 C ATOM 178 CG1 VAL A 15 13.835 -8.276 0.029 1.00 0.00 C ATOM 179 CG2 VAL A 15 15.162 -10.118 1.088 1.00 0.00 C ATOM 0 H VAL A 15 11.929 -9.603 -1.239 1.00 0.00 H new ATOM 0 HA VAL A 15 12.965 -11.575 0.564 1.00 0.00 H new ATOM 0 HB VAL A 15 14.383 -10.115 -0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.768 -7.777 -0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.082 -8.055 -0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.491 -7.919 1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.077 -9.593 0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 15 14.854 -9.812 2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 15 15.344 -11.193 1.077 1.00 0.00 H new ATOM 189 N TYR A 16 11.319 -9.010 1.706 1.00 0.00 N ATOM 190 CA TYR A 16 10.743 -8.403 2.900 1.00 0.00 C ATOM 191 C TYR A 16 9.468 -7.637 2.560 1.00 0.00 C ATOM 192 O TYR A 16 9.329 -7.058 1.483 1.00 0.00 O ATOM 193 CB TYR A 16 11.754 -7.464 3.560 1.00 0.00 C ATOM 194 CG TYR A 16 11.120 -6.417 4.446 1.00 0.00 C ATOM 195 CD1 TYR A 16 10.314 -5.420 3.910 1.00 0.00 C ATOM 196 CD2 TYR A 16 11.327 -6.423 5.820 1.00 0.00 C ATOM 197 CE1 TYR A 16 9.732 -4.460 4.716 1.00 0.00 C ATOM 198 CE2 TYR A 16 10.749 -5.468 6.634 1.00 0.00 C ATOM 199 CZ TYR A 16 9.953 -4.489 6.078 1.00 0.00 C ATOM 200 OH TYR A 16 9.376 -3.536 6.885 1.00 0.00 O ATOM 0 H TYR A 16 10.956 -8.641 0.827 1.00 0.00 H new ATOM 0 HA TYR A 16 10.491 -9.202 3.597 1.00 0.00 H new ATOM 0 HB2 TYR A 16 12.452 -8.055 4.153 1.00 0.00 H new ATOM 0 HB3 TYR A 16 12.336 -6.967 2.784 1.00 0.00 H new ATOM 0 HD1 TYR A 16 10.139 -5.395 2.845 1.00 0.00 H new ATOM 0 HD2 TYR A 16 11.951 -7.188 6.259 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.108 -3.692 4.283 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.920 -5.488 7.700 1.00 0.00 H new ATOM 0 HH TYR A 16 9.630 -3.699 7.817 1.00 0.00 H new ATOM 210 N PRO A 17 8.513 -7.632 3.502 1.00 0.00 N ATOM 211 CA PRO A 17 8.666 -8.318 4.788 1.00 0.00 C ATOM 212 C PRO A 17 8.651 -9.836 4.641 1.00 0.00 C ATOM 213 O PRO A 17 8.313 -10.363 3.581 1.00 0.00 O ATOM 214 CB PRO A 17 7.450 -7.846 5.589 1.00 0.00 C ATOM 215 CG PRO A 17 6.436 -7.485 4.560 1.00 0.00 C ATOM 216 CD PRO A 17 7.209 -6.957 3.384 1.00 0.00 C ATOM 0 HA PRO A 17 9.621 -8.088 5.261 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.082 -8.631 6.249 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.698 -6.991 6.218 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.841 -8.353 4.278 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.744 -6.734 4.941 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.717 -7.195 2.441 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.313 -5.873 3.425 1.00 0.00 H new ATOM 224 N SER A 18 9.019 -10.533 5.711 1.00 0.00 N ATOM 225 CA SER A 18 9.050 -11.991 5.700 1.00 0.00 C ATOM 226 C SER A 18 7.838 -12.566 6.427 1.00 0.00 C ATOM 227 O SER A 18 7.974 -13.234 7.451 1.00 0.00 O ATOM 228 CB SER A 18 10.338 -12.500 6.350 1.00 0.00 C ATOM 229 OG SER A 18 10.693 -13.776 5.848 1.00 0.00 O ATOM 0 H SER A 18 9.300 -10.112 6.597 1.00 0.00 H new ATOM 0 HA SER A 18 9.020 -12.322 4.662 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.147 -11.794 6.163 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.207 -12.555 7.431 1.00 0.00 H new ATOM 0 HG SER A 18 11.520 -14.078 6.278 1.00 0.00 H new ATOM 235 N GLY A 19 6.652 -12.302 5.887 1.00 0.00 N ATOM 236 CA GLY A 19 5.433 -12.800 6.497 1.00 0.00 C ATOM 237 C GLY A 19 4.288 -11.812 6.394 1.00 0.00 C ATOM 238 O GLY A 19 4.248 -10.988 5.480 1.00 0.00 O ATOM 0 H GLY A 19 6.514 -11.753 5.039 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.146 -13.735 6.017 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.621 -13.025 7.547 1.00 0.00 H new ATOM 242 N LYS A 20 3.352 -11.893 7.334 1.00 0.00 N ATOM 243 CA LYS A 20 2.200 -11.000 7.346 1.00 0.00 C ATOM 244 C LYS A 20 2.522 -9.706 8.087 1.00 0.00 C ATOM 245 O LYS A 20 3.301 -9.702 9.040 1.00 0.00 O ATOM 246 CB LYS A 20 1.001 -11.690 8.002 1.00 0.00 C ATOM 247 CG LYS A 20 0.255 -12.629 7.070 1.00 0.00 C ATOM 248 CD LYS A 20 -1.221 -12.709 7.423 1.00 0.00 C ATOM 249 CE LYS A 20 -1.955 -13.696 6.529 1.00 0.00 C ATOM 250 NZ LYS A 20 -1.967 -13.254 5.107 1.00 0.00 N ATOM 0 H LYS A 20 3.369 -12.569 8.098 1.00 0.00 H new ATOM 0 HA LYS A 20 1.951 -10.755 6.313 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.346 -12.252 8.870 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.310 -10.930 8.368 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.366 -12.286 6.041 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.697 -13.624 7.124 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.331 -13.009 8.465 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.673 -11.722 7.326 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.480 -14.674 6.601 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.980 -13.813 6.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.926 -13.362 4.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.681 -12.256 5.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.303 -13.836 4.557 1.00 0.00 H new ATOM 264 N VAL A 21 1.918 -8.609 7.642 1.00 0.00 N ATOM 265 CA VAL A 21 2.140 -7.309 8.264 1.00 0.00 C ATOM 266 C VAL A 21 0.821 -6.581 8.501 1.00 0.00 C ATOM 267 O VAL A 21 0.021 -6.409 7.581 1.00 0.00 O ATOM 268 CB VAL A 21 3.055 -6.421 7.400 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.183 -5.033 8.009 1.00 0.00 C ATOM 270 CG2 VAL A 21 4.422 -7.068 7.235 1.00 0.00 C ATOM 0 H VAL A 21 1.271 -8.594 6.853 1.00 0.00 H new ATOM 0 HA VAL A 21 2.627 -7.496 9.221 1.00 0.00 H new ATOM 0 HB VAL A 21 2.605 -6.318 6.413 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.833 -4.420 7.385 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.198 -4.570 8.071 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.610 -5.112 9.009 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.056 -6.428 6.622 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.881 -7.203 8.214 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.309 -8.038 6.750 1.00 0.00 H new ATOM 280 N TYR A 22 0.601 -6.156 9.740 1.00 0.00 N ATOM 281 CA TYR A 22 -0.622 -5.448 10.099 1.00 0.00 C ATOM 282 C TYR A 22 -0.393 -3.940 10.119 1.00 0.00 C ATOM 283 O TYR A 22 0.592 -3.457 10.679 1.00 0.00 O ATOM 284 CB TYR A 22 -1.126 -5.917 11.464 1.00 0.00 C ATOM 285 CG TYR A 22 -1.904 -7.213 11.411 1.00 0.00 C ATOM 286 CD1 TYR A 22 -1.396 -8.324 10.749 1.00 0.00 C ATOM 287 CD2 TYR A 22 -3.146 -7.326 12.023 1.00 0.00 C ATOM 288 CE1 TYR A 22 -2.104 -9.509 10.696 1.00 0.00 C ATOM 289 CE2 TYR A 22 -3.860 -8.508 11.977 1.00 0.00 C ATOM 290 CZ TYR A 22 -3.335 -9.596 11.312 1.00 0.00 C ATOM 291 OH TYR A 22 -4.042 -10.775 11.264 1.00 0.00 O ATOM 0 H TYR A 22 1.253 -6.289 10.513 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.376 -5.672 9.344 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.274 -6.042 12.133 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.759 -5.141 11.894 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.431 -8.260 10.268 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.561 -6.475 12.544 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.696 -10.363 10.175 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.824 -8.579 12.459 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.888 -10.669 11.748 1.00 0.00 H new ATOM 301 N VAL A 23 -1.310 -3.199 9.505 1.00 0.00 N ATOM 302 CA VAL A 23 -1.211 -1.746 9.454 1.00 0.00 C ATOM 303 C VAL A 23 -2.557 -1.092 9.742 1.00 0.00 C ATOM 304 O VAL A 23 -3.594 -1.544 9.257 1.00 0.00 O ATOM 305 CB VAL A 23 -0.703 -1.266 8.081 1.00 0.00 C ATOM 306 CG1 VAL A 23 -0.582 0.250 8.056 1.00 0.00 C ATOM 307 CG2 VAL A 23 0.629 -1.921 7.748 1.00 0.00 C ATOM 0 H VAL A 23 -2.131 -3.582 9.036 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.496 -1.451 10.222 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.427 -1.561 7.322 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.222 0.570 7.078 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.558 0.696 8.247 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.121 0.572 8.825 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.973 -1.571 6.775 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.364 -1.659 8.509 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.505 -3.004 7.721 1.00 0.00 H new ATOM 317 N ALA A 24 -2.534 -0.025 10.534 1.00 0.00 N ATOM 318 CA ALA A 24 -3.753 0.693 10.885 1.00 0.00 C ATOM 319 C ALA A 24 -3.717 2.125 10.360 1.00 0.00 C ATOM 320 O ALA A 24 -2.730 2.837 10.541 1.00 0.00 O ATOM 321 CB ALA A 24 -3.954 0.687 12.393 1.00 0.00 C ATOM 0 H ALA A 24 -1.684 0.361 10.945 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.594 0.182 10.416 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.868 1.227 12.640 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.033 -0.341 12.745 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.105 1.171 12.875 1.00 0.00 H new ATOM 327 N ALA A 25 -4.799 2.539 9.710 1.00 0.00 N ATOM 328 CA ALA A 25 -4.891 3.886 9.160 1.00 0.00 C ATOM 329 C ALA A 25 -6.236 4.523 9.492 1.00 0.00 C ATOM 330 O ALA A 25 -7.136 3.863 10.013 1.00 0.00 O ATOM 331 CB ALA A 25 -4.676 3.857 7.654 1.00 0.00 C ATOM 0 H ALA A 25 -5.624 1.961 9.551 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.108 4.493 9.616 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.747 4.869 7.257 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.689 3.450 7.435 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.438 3.231 7.190 1.00 0.00 H new ATOM 337 N VAL A 26 -6.367 5.810 9.188 1.00 0.00 N ATOM 338 CA VAL A 26 -7.603 6.537 9.453 1.00 0.00 C ATOM 339 C VAL A 26 -8.125 7.214 8.191 1.00 0.00 C ATOM 340 O VAL A 26 -7.380 7.423 7.233 1.00 0.00 O ATOM 341 CB VAL A 26 -7.403 7.602 10.548 1.00 0.00 C ATOM 342 CG1 VAL A 26 -8.694 7.819 11.324 1.00 0.00 C ATOM 343 CG2 VAL A 26 -6.272 7.200 11.482 1.00 0.00 C ATOM 0 H VAL A 26 -5.632 6.371 8.758 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.333 5.804 9.797 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.132 8.543 10.070 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.534 8.575 12.093 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.476 8.155 10.643 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.999 6.883 11.793 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.145 7.964 12.249 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.512 6.247 11.955 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.348 7.100 10.913 1.00 0.00 H new ATOM 353 N ARG A 27 -9.409 7.554 8.196 1.00 0.00 N ATOM 354 CA ARG A 27 -10.032 8.207 7.051 1.00 0.00 C ATOM 355 C ARG A 27 -9.188 9.384 6.572 1.00 0.00 C ATOM 356 O ARG A 27 -8.963 10.343 7.312 1.00 0.00 O ATOM 357 CB ARG A 27 -11.438 8.687 7.413 1.00 0.00 C ATOM 358 CG ARG A 27 -12.361 8.830 6.214 1.00 0.00 C ATOM 359 CD ARG A 27 -13.822 8.703 6.616 1.00 0.00 C ATOM 360 NE ARG A 27 -14.345 9.946 7.176 1.00 0.00 N ATOM 361 CZ ARG A 27 -15.641 10.231 7.249 1.00 0.00 C ATOM 362 NH1 ARG A 27 -16.539 9.367 6.798 1.00 0.00 N ATOM 363 NH2 ARG A 27 -16.039 11.383 7.772 1.00 0.00 N ATOM 0 H ARG A 27 -10.039 7.388 8.981 1.00 0.00 H new ATOM 0 HA ARG A 27 -10.102 7.479 6.243 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.881 7.986 8.120 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.365 9.649 7.921 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -12.196 9.798 5.740 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -12.119 8.067 5.474 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -14.414 8.420 5.746 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -13.928 7.902 7.348 1.00 0.00 H new ATOM 0 HE ARG A 27 -13.679 10.633 7.530 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -16.236 8.481 6.394 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -17.533 9.588 6.855 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -15.350 12.051 8.118 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -17.034 11.601 7.828 1.00 0.00 H new ATOM 377 N LEU A 28 -8.724 9.306 5.330 1.00 0.00 N ATOM 378 CA LEU A 28 -7.904 10.365 4.751 1.00 0.00 C ATOM 379 C LEU A 28 -6.536 10.423 5.422 1.00 0.00 C ATOM 380 O LEU A 28 -5.958 11.497 5.584 1.00 0.00 O ATOM 381 CB LEU A 28 -8.609 11.715 4.888 1.00 0.00 C ATOM 382 CG LEU A 28 -10.069 11.759 4.433 1.00 0.00 C ATOM 383 CD1 LEU A 28 -10.700 13.095 4.794 1.00 0.00 C ATOM 384 CD2 LEU A 28 -10.169 11.507 2.936 1.00 0.00 C ATOM 0 H LEU A 28 -8.901 8.520 4.704 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.760 10.142 3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.566 12.021 5.933 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.049 12.455 4.316 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.615 10.971 4.951 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.738 13.108 4.463 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.662 13.235 5.874 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.153 13.900 4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.215 11.542 2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.608 12.273 2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.756 10.525 2.704 1.00 0.00 H new ATOM 396 N GLU A 29 -6.022 9.259 5.810 1.00 0.00 N ATOM 397 CA GLU A 29 -4.721 9.179 6.462 1.00 0.00 C ATOM 398 C GLU A 29 -3.634 8.793 5.463 1.00 0.00 C ATOM 399 O GLU A 29 -3.920 8.242 4.400 1.00 0.00 O ATOM 400 CB GLU A 29 -4.761 8.163 7.606 1.00 0.00 C ATOM 401 CG GLU A 29 -3.432 8.003 8.325 1.00 0.00 C ATOM 402 CD GLU A 29 -3.010 9.263 9.057 1.00 0.00 C ATOM 403 OE1 GLU A 29 -3.525 9.505 10.168 1.00 0.00 O ATOM 404 OE2 GLU A 29 -2.163 10.006 8.517 1.00 0.00 O ATOM 0 H GLU A 29 -6.487 8.360 5.684 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.485 10.163 6.867 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.520 8.469 8.326 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.069 7.195 7.211 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.505 7.181 9.037 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.662 7.732 7.602 1.00 0.00 H new ATOM 411 N ARG A 30 -2.386 9.088 5.812 1.00 0.00 N ATOM 412 CA ARG A 30 -1.256 8.775 4.945 1.00 0.00 C ATOM 413 C ARG A 30 -0.483 7.571 5.475 1.00 0.00 C ATOM 414 O ARG A 30 -0.005 7.576 6.609 1.00 0.00 O ATOM 415 CB ARG A 30 -0.324 9.982 4.830 1.00 0.00 C ATOM 416 CG ARG A 30 1.111 9.614 4.491 1.00 0.00 C ATOM 417 CD ARG A 30 1.972 9.520 5.741 1.00 0.00 C ATOM 418 NE ARG A 30 2.674 10.770 6.018 1.00 0.00 N ATOM 419 CZ ARG A 30 3.782 10.846 6.746 1.00 0.00 C ATOM 420 NH1 ARG A 30 4.313 9.748 7.267 1.00 0.00 N ATOM 421 NH2 ARG A 30 4.362 12.021 6.954 1.00 0.00 N ATOM 0 H ARG A 30 -2.132 9.543 6.689 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.645 8.530 3.957 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.708 10.655 4.064 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.337 10.531 5.772 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.128 8.660 3.963 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.529 10.360 3.815 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.345 9.260 6.594 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.698 8.716 5.621 1.00 0.00 H new ATOM 0 HE ARG A 30 2.292 11.633 5.631 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.870 8.843 7.109 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.164 9.809 7.826 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.957 12.868 6.555 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.213 12.078 7.513 1.00 0.00 H new ATOM 435 N VAL A 31 -0.364 6.539 4.646 1.00 0.00 N ATOM 436 CA VAL A 31 0.351 5.327 5.029 1.00 0.00 C ATOM 437 C VAL A 31 1.547 5.083 4.117 1.00 0.00 C ATOM 438 O VAL A 31 1.659 5.683 3.047 1.00 0.00 O ATOM 439 CB VAL A 31 -0.571 4.095 4.990 1.00 0.00 C ATOM 440 CG1 VAL A 31 -1.772 4.296 5.902 1.00 0.00 C ATOM 441 CG2 VAL A 31 -1.017 3.808 3.564 1.00 0.00 C ATOM 0 H VAL A 31 -0.754 6.518 3.704 1.00 0.00 H new ATOM 0 HA VAL A 31 0.702 5.476 6.050 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.011 3.233 5.352 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.412 3.414 5.861 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.430 4.449 6.926 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.336 5.169 5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.668 2.934 3.555 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.560 4.668 3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.143 3.616 2.941 1.00 0.00 H new ATOM 451 N VAL A 32 2.441 4.198 4.546 1.00 0.00 N ATOM 452 CA VAL A 32 3.630 3.872 3.766 1.00 0.00 C ATOM 453 C VAL A 32 3.992 2.398 3.907 1.00 0.00 C ATOM 454 O VAL A 32 4.491 1.966 4.947 1.00 0.00 O ATOM 455 CB VAL A 32 4.835 4.729 4.196 1.00 0.00 C ATOM 456 CG1 VAL A 32 6.078 4.333 3.414 1.00 0.00 C ATOM 457 CG2 VAL A 32 4.529 6.207 4.015 1.00 0.00 C ATOM 0 H VAL A 32 2.365 3.694 5.429 1.00 0.00 H new ATOM 0 HA VAL A 32 3.394 4.087 2.724 1.00 0.00 H new ATOM 0 HB VAL A 32 5.028 4.549 5.254 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.919 4.949 3.731 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.306 3.284 3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.901 4.482 2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.392 6.798 4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.309 6.407 2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.667 6.477 4.625 1.00 0.00 H new ATOM 467 N LEU A 33 3.738 1.629 2.853 1.00 0.00 N ATOM 468 CA LEU A 33 4.038 0.201 2.858 1.00 0.00 C ATOM 469 C LEU A 33 5.498 -0.050 2.497 1.00 0.00 C ATOM 470 O LEU A 33 6.052 0.603 1.611 1.00 0.00 O ATOM 471 CB LEU A 33 3.124 -0.535 1.876 1.00 0.00 C ATOM 472 CG LEU A 33 1.813 -1.071 2.452 1.00 0.00 C ATOM 473 CD1 LEU A 33 1.162 -0.033 3.353 1.00 0.00 C ATOM 474 CD2 LEU A 33 0.866 -1.479 1.333 1.00 0.00 C ATOM 0 H LEU A 33 3.325 1.970 1.985 1.00 0.00 H new ATOM 0 HA LEU A 33 3.862 -0.179 3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.887 0.141 1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.679 -1.371 1.451 1.00 0.00 H new ATOM 0 HG LEU A 33 2.036 -1.954 3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.230 -0.432 3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.836 0.210 4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.953 0.869 2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.062 -1.858 1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.649 -0.614 0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.331 -2.258 0.729 1.00 0.00 H new ATOM 486 N THR A 34 6.118 -1.002 3.188 1.00 0.00 N ATOM 487 CA THR A 34 7.514 -1.340 2.940 1.00 0.00 C ATOM 488 C THR A 34 7.643 -2.733 2.334 1.00 0.00 C ATOM 489 O THR A 34 7.272 -3.728 2.958 1.00 0.00 O ATOM 490 CB THR A 34 8.346 -1.276 4.234 1.00 0.00 C ATOM 491 OG1 THR A 34 8.120 -0.029 4.901 1.00 0.00 O ATOM 492 CG2 THR A 34 9.829 -1.435 3.933 1.00 0.00 C ATOM 0 H THR A 34 5.675 -1.552 3.924 1.00 0.00 H new ATOM 0 HA THR A 34 7.897 -0.603 2.234 1.00 0.00 H new ATOM 0 HB THR A 34 8.033 -2.095 4.881 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.651 0.003 5.724 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.396 -1.386 4.863 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.002 -2.398 3.453 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.153 -0.635 3.268 1.00 0.00 H new ATOM 500 N CYS A 35 8.171 -2.797 1.117 1.00 0.00 N ATOM 501 CA CYS A 35 8.348 -4.070 0.427 1.00 0.00 C ATOM 502 C CYS A 35 9.647 -4.078 -0.373 1.00 0.00 C ATOM 503 O CYS A 35 9.744 -3.444 -1.424 1.00 0.00 O ATOM 504 CB CYS A 35 7.163 -4.341 -0.500 1.00 0.00 C ATOM 505 SG CYS A 35 6.806 -6.096 -0.748 1.00 0.00 S ATOM 0 H CYS A 35 8.484 -1.983 0.588 1.00 0.00 H new ATOM 0 HA CYS A 35 8.399 -4.858 1.178 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.277 -3.855 -0.091 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.360 -3.881 -1.468 1.00 0.00 H new ATOM 0 HG CYS A 35 7.628 -6.811 -0.038 1.00 0.00 H new ATOM 511 N GLU A 36 10.643 -4.798 0.133 1.00 0.00 N ATOM 512 CA GLU A 36 11.937 -4.886 -0.534 1.00 0.00 C ATOM 513 C GLU A 36 12.018 -6.139 -1.401 1.00 0.00 C ATOM 514 O GLU A 36 11.240 -7.078 -1.230 1.00 0.00 O ATOM 515 CB GLU A 36 13.068 -4.891 0.496 1.00 0.00 C ATOM 516 CG GLU A 36 14.453 -4.782 -0.119 1.00 0.00 C ATOM 517 CD GLU A 36 15.443 -4.085 0.793 1.00 0.00 C ATOM 518 OE1 GLU A 36 15.453 -2.837 0.816 1.00 0.00 O ATOM 519 OE2 GLU A 36 16.209 -4.789 1.485 1.00 0.00 O ATOM 0 H GLU A 36 10.579 -5.328 1.002 1.00 0.00 H new ATOM 0 HA GLU A 36 12.045 -4.013 -1.177 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.921 -4.062 1.188 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.011 -5.809 1.081 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.822 -5.780 -0.354 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.386 -4.237 -1.061 1.00 0.00 H new ATOM 526 N LEU A 37 12.966 -6.146 -2.333 1.00 0.00 N ATOM 527 CA LEU A 37 13.150 -7.283 -3.228 1.00 0.00 C ATOM 528 C LEU A 37 14.618 -7.689 -3.297 1.00 0.00 C ATOM 529 O LEU A 37 15.510 -6.878 -3.045 1.00 0.00 O ATOM 530 CB LEU A 37 12.636 -6.943 -4.628 1.00 0.00 C ATOM 531 CG LEU A 37 11.223 -6.363 -4.702 1.00 0.00 C ATOM 532 CD1 LEU A 37 10.913 -5.891 -6.114 1.00 0.00 C ATOM 533 CD2 LEU A 37 10.199 -7.392 -4.245 1.00 0.00 C ATOM 0 H LEU A 37 13.618 -5.377 -2.488 1.00 0.00 H new ATOM 0 HA LEU A 37 12.579 -8.122 -2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.324 -6.230 -5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.668 -7.848 -5.235 1.00 0.00 H new ATOM 0 HG LEU A 37 11.168 -5.504 -4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.903 -5.481 -6.147 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.627 -5.120 -6.405 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.986 -6.732 -6.803 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.199 -6.962 -4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.255 -8.271 -4.887 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.409 -7.682 -3.215 1.00 0.00 H new ATOM 545 N CYS A 38 14.863 -8.948 -3.643 1.00 0.00 N ATOM 546 CA CYS A 38 16.224 -9.462 -3.747 1.00 0.00 C ATOM 547 C CYS A 38 16.846 -9.086 -5.088 1.00 0.00 C ATOM 548 O CYS A 38 17.923 -9.566 -5.441 1.00 0.00 O ATOM 549 CB CYS A 38 16.232 -10.982 -3.576 1.00 0.00 C ATOM 550 SG CYS A 38 15.440 -11.881 -4.930 1.00 0.00 S ATOM 0 H CYS A 38 14.137 -9.632 -3.856 1.00 0.00 H new ATOM 0 HA CYS A 38 16.818 -9.011 -2.952 1.00 0.00 H new ATOM 0 HB2 CYS A 38 17.264 -11.321 -3.483 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.729 -11.235 -2.643 1.00 0.00 H new ATOM 0 HG CYS A 38 15.499 -13.158 -4.696 1.00 0.00 H new ATOM 556 N ARG A 39 16.159 -8.224 -5.832 1.00 0.00 N ATOM 557 CA ARG A 39 16.643 -7.786 -7.135 1.00 0.00 C ATOM 558 C ARG A 39 16.270 -6.328 -7.391 1.00 0.00 C ATOM 559 O ARG A 39 15.149 -5.893 -7.127 1.00 0.00 O ATOM 560 CB ARG A 39 16.068 -8.672 -8.241 1.00 0.00 C ATOM 561 CG ARG A 39 16.900 -9.913 -8.522 1.00 0.00 C ATOM 562 CD ARG A 39 18.251 -9.554 -9.119 1.00 0.00 C ATOM 563 NE ARG A 39 19.255 -9.303 -8.089 1.00 0.00 N ATOM 564 CZ ARG A 39 19.809 -10.261 -7.354 1.00 0.00 C ATOM 565 NH1 ARG A 39 19.459 -11.526 -7.535 1.00 0.00 N ATOM 566 NH2 ARG A 39 20.717 -9.953 -6.435 1.00 0.00 N ATOM 0 H ARG A 39 15.266 -7.816 -5.554 1.00 0.00 H new ATOM 0 HA ARG A 39 17.730 -7.872 -7.139 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.059 -8.977 -7.963 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.983 -8.087 -9.157 1.00 0.00 H new ATOM 0 HG2 ARG A 39 17.046 -10.471 -7.597 1.00 0.00 H new ATOM 0 HG3 ARG A 39 16.360 -10.567 -9.207 1.00 0.00 H new ATOM 0 HD2 ARG A 39 18.589 -10.365 -9.765 1.00 0.00 H new ATOM 0 HD3 ARG A 39 18.146 -8.669 -9.747 1.00 0.00 H new ATOM 0 HE ARG A 39 19.547 -8.340 -7.925 1.00 0.00 H new ATOM 0 HH11 ARG A 39 18.762 -11.767 -8.240 1.00 0.00 H new ATOM 0 HH12 ARG A 39 19.886 -12.259 -6.969 1.00 0.00 H new ATOM 0 HH21 ARG A 39 20.989 -8.980 -6.293 1.00 0.00 H new ATOM 0 HH22 ARG A 39 21.142 -10.689 -5.871 1.00 0.00 H new ATOM 580 N PRO A 40 17.231 -5.555 -7.918 1.00 0.00 N ATOM 581 CA PRO A 40 17.027 -4.135 -8.221 1.00 0.00 C ATOM 582 C PRO A 40 16.078 -3.924 -9.395 1.00 0.00 C ATOM 583 O PRO A 40 15.127 -3.147 -9.304 1.00 0.00 O ATOM 584 CB PRO A 40 18.433 -3.643 -8.574 1.00 0.00 C ATOM 585 CG PRO A 40 19.152 -4.858 -9.049 1.00 0.00 C ATOM 586 CD PRO A 40 18.591 -6.007 -8.258 1.00 0.00 C ATOM 0 HA PRO A 40 16.570 -3.601 -7.388 1.00 0.00 H new ATOM 0 HB2 PRO A 40 18.401 -2.875 -9.347 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.928 -3.204 -7.708 1.00 0.00 H new ATOM 0 HG2 PRO A 40 19.000 -5.009 -10.118 1.00 0.00 H new ATOM 0 HG3 PRO A 40 20.226 -4.763 -8.890 1.00 0.00 H new ATOM 0 HD2 PRO A 40 18.574 -6.927 -8.842 1.00 0.00 H new ATOM 0 HD3 PRO A 40 19.183 -6.207 -7.365 1.00 0.00 H new ATOM 594 N TRP A 41 16.341 -4.619 -10.495 1.00 0.00 N ATOM 595 CA TRP A 41 15.508 -4.507 -11.688 1.00 0.00 C ATOM 596 C TRP A 41 14.272 -5.391 -11.573 1.00 0.00 C ATOM 597 O TRP A 41 13.633 -5.714 -12.574 1.00 0.00 O ATOM 598 CB TRP A 41 16.311 -4.890 -12.932 1.00 0.00 C ATOM 599 CG TRP A 41 17.344 -5.944 -12.672 1.00 0.00 C ATOM 600 CD1 TRP A 41 18.688 -5.754 -12.522 1.00 0.00 C ATOM 601 CD2 TRP A 41 17.117 -7.351 -12.534 1.00 0.00 C ATOM 602 NE1 TRP A 41 19.311 -6.959 -12.298 1.00 0.00 N ATOM 603 CE2 TRP A 41 18.369 -7.953 -12.300 1.00 0.00 C ATOM 604 CE3 TRP A 41 15.979 -8.160 -12.582 1.00 0.00 C ATOM 605 CZ2 TRP A 41 18.511 -9.326 -12.117 1.00 0.00 C ATOM 606 CZ3 TRP A 41 16.122 -9.522 -12.401 1.00 0.00 C ATOM 607 CH2 TRP A 41 17.380 -10.094 -12.170 1.00 0.00 C ATOM 0 H TRP A 41 17.124 -5.266 -10.587 1.00 0.00 H new ATOM 0 HA TRP A 41 15.183 -3.471 -11.779 1.00 0.00 H new ATOM 0 HB2 TRP A 41 15.626 -5.245 -13.702 1.00 0.00 H new ATOM 0 HB3 TRP A 41 16.802 -4.000 -13.327 1.00 0.00 H new ATOM 0 HD1 TRP A 41 19.188 -4.798 -12.572 1.00 0.00 H new ATOM 0 HE1 TRP A 41 20.312 -7.091 -12.154 1.00 0.00 H new ATOM 0 HE3 TRP A 41 15.005 -7.728 -12.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 19.480 -9.769 -11.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 15.249 -10.157 -12.438 1.00 0.00 H new ATOM 0 HH2 TRP A 41 17.458 -11.162 -12.031 1.00 0.00 H new ATOM 618 N ALA A 42 13.939 -5.780 -10.346 1.00 0.00 N ATOM 619 CA ALA A 42 12.776 -6.625 -10.102 1.00 0.00 C ATOM 620 C ALA A 42 11.503 -5.791 -10.000 1.00 0.00 C ATOM 621 O ALA A 42 11.384 -4.928 -9.132 1.00 0.00 O ATOM 622 CB ALA A 42 12.976 -7.443 -8.835 1.00 0.00 C ATOM 0 H ALA A 42 14.458 -5.524 -9.506 1.00 0.00 H new ATOM 0 HA ALA A 42 12.667 -7.304 -10.947 1.00 0.00 H new ATOM 0 HB1 ALA A 42 12.100 -8.069 -8.664 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.858 -8.074 -8.945 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.113 -6.772 -7.987 1.00 0.00 H new ATOM 628 N GLU A 43 10.555 -6.056 -10.893 1.00 0.00 N ATOM 629 CA GLU A 43 9.292 -5.328 -10.904 1.00 0.00 C ATOM 630 C GLU A 43 8.255 -6.026 -10.027 1.00 0.00 C ATOM 631 O GLU A 43 8.226 -7.253 -9.938 1.00 0.00 O ATOM 632 CB GLU A 43 8.763 -5.200 -12.334 1.00 0.00 C ATOM 633 CG GLU A 43 9.567 -4.242 -13.196 1.00 0.00 C ATOM 634 CD GLU A 43 9.437 -4.541 -14.677 1.00 0.00 C ATOM 635 OE1 GLU A 43 9.796 -5.663 -15.091 1.00 0.00 O ATOM 636 OE2 GLU A 43 8.976 -3.652 -15.423 1.00 0.00 O ATOM 0 H GLU A 43 10.638 -6.769 -11.618 1.00 0.00 H new ATOM 0 HA GLU A 43 9.473 -4.331 -10.501 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.763 -6.184 -12.802 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.727 -4.863 -12.300 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.235 -3.221 -13.005 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.617 -4.295 -12.909 1.00 0.00 H new ATOM 643 N VAL A 44 7.405 -5.233 -9.382 1.00 0.00 N ATOM 644 CA VAL A 44 6.366 -5.772 -8.513 1.00 0.00 C ATOM 645 C VAL A 44 4.991 -5.247 -8.909 1.00 0.00 C ATOM 646 O VAL A 44 4.878 -4.297 -9.682 1.00 0.00 O ATOM 647 CB VAL A 44 6.632 -5.422 -7.036 1.00 0.00 C ATOM 648 CG1 VAL A 44 8.042 -5.828 -6.637 1.00 0.00 C ATOM 649 CG2 VAL A 44 6.406 -3.938 -6.792 1.00 0.00 C ATOM 0 H VAL A 44 7.416 -4.215 -9.445 1.00 0.00 H new ATOM 0 HA VAL A 44 6.385 -6.855 -8.631 1.00 0.00 H new ATOM 0 HB VAL A 44 5.930 -5.980 -6.416 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.212 -5.573 -5.591 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.163 -6.903 -6.773 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.763 -5.300 -7.261 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.598 -3.708 -5.744 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.082 -3.359 -7.421 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.375 -3.682 -7.036 1.00 0.00 H new ATOM 659 N ARG A 45 3.948 -5.873 -8.373 1.00 0.00 N ATOM 660 CA ARG A 45 2.579 -5.469 -8.671 1.00 0.00 C ATOM 661 C ARG A 45 1.660 -5.748 -7.485 1.00 0.00 C ATOM 662 O ARG A 45 1.599 -6.872 -6.986 1.00 0.00 O ATOM 663 CB ARG A 45 2.067 -6.203 -9.911 1.00 0.00 C ATOM 664 CG ARG A 45 0.560 -6.116 -10.091 1.00 0.00 C ATOM 665 CD ARG A 45 0.099 -6.899 -11.311 1.00 0.00 C ATOM 666 NE ARG A 45 0.493 -8.303 -11.241 1.00 0.00 N ATOM 667 CZ ARG A 45 0.640 -9.079 -12.309 1.00 0.00 C ATOM 668 NH1 ARG A 45 0.428 -8.590 -13.523 1.00 0.00 N ATOM 669 NH2 ARG A 45 1.001 -10.348 -12.164 1.00 0.00 N ATOM 0 H ARG A 45 4.025 -6.661 -7.731 1.00 0.00 H new ATOM 0 HA ARG A 45 2.577 -4.397 -8.866 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.554 -5.790 -10.794 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.357 -7.252 -9.848 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.063 -6.502 -9.201 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.264 -5.072 -10.194 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.985 -6.831 -11.397 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.519 -6.449 -12.211 1.00 0.00 H new ATOM 0 HE ARG A 45 0.665 -8.710 -10.322 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.151 -7.615 -13.639 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.542 -9.189 -14.341 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.166 -10.728 -11.232 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.114 -10.943 -12.985 1.00 0.00 H new ATOM 683 N TRP A 46 0.947 -4.719 -7.041 1.00 0.00 N ATOM 684 CA TRP A 46 0.031 -4.854 -5.914 1.00 0.00 C ATOM 685 C TRP A 46 -1.368 -5.224 -6.391 1.00 0.00 C ATOM 686 O TRP A 46 -1.894 -4.625 -7.330 1.00 0.00 O ATOM 687 CB TRP A 46 -0.017 -3.553 -5.111 1.00 0.00 C ATOM 688 CG TRP A 46 1.327 -3.103 -4.626 1.00 0.00 C ATOM 689 CD1 TRP A 46 2.297 -2.481 -5.359 1.00 0.00 C ATOM 690 CD2 TRP A 46 1.851 -3.244 -3.301 1.00 0.00 C ATOM 691 NE1 TRP A 46 3.392 -2.226 -4.569 1.00 0.00 N ATOM 692 CE2 TRP A 46 3.144 -2.683 -3.302 1.00 0.00 C ATOM 693 CE3 TRP A 46 1.354 -3.786 -2.113 1.00 0.00 C ATOM 694 CZ2 TRP A 46 3.942 -2.652 -2.162 1.00 0.00 C ATOM 695 CZ3 TRP A 46 2.148 -3.755 -0.983 1.00 0.00 C ATOM 696 CH2 TRP A 46 3.430 -3.190 -1.013 1.00 0.00 C ATOM 0 H TRP A 46 0.985 -3.783 -7.444 1.00 0.00 H new ATOM 0 HA TRP A 46 0.399 -5.655 -5.273 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.453 -2.769 -5.730 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.678 -3.688 -4.255 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.215 -2.227 -6.406 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.251 -1.770 -4.877 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.366 -4.222 -2.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 4.931 -2.218 -2.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 1.774 -4.174 -0.060 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.025 -3.179 -0.112 1.00 0.00 H new ATOM 707 N THR A 47 -1.969 -6.215 -5.739 1.00 0.00 N ATOM 708 CA THR A 47 -3.308 -6.665 -6.098 1.00 0.00 C ATOM 709 C THR A 47 -4.271 -6.517 -4.926 1.00 0.00 C ATOM 710 O THR A 47 -3.960 -6.907 -3.800 1.00 0.00 O ATOM 711 CB THR A 47 -3.301 -8.135 -6.560 1.00 0.00 C ATOM 712 OG1 THR A 47 -2.745 -8.967 -5.536 1.00 0.00 O ATOM 713 CG2 THR A 47 -2.500 -8.296 -7.843 1.00 0.00 C ATOM 0 H THR A 47 -1.549 -6.721 -4.959 1.00 0.00 H new ATOM 0 HA THR A 47 -3.643 -6.034 -6.921 1.00 0.00 H new ATOM 0 HB THR A 47 -4.330 -8.437 -6.754 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.129 -8.440 -4.985 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.510 -9.342 -8.149 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.944 -7.684 -8.628 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.472 -7.977 -7.672 1.00 0.00 H new ATOM 721 N LYS A 48 -5.442 -5.951 -5.196 1.00 0.00 N ATOM 722 CA LYS A 48 -6.452 -5.752 -4.164 1.00 0.00 C ATOM 723 C LYS A 48 -7.672 -6.631 -4.421 1.00 0.00 C ATOM 724 O LYS A 48 -8.507 -6.319 -5.270 1.00 0.00 O ATOM 725 CB LYS A 48 -6.873 -4.282 -4.109 1.00 0.00 C ATOM 726 CG LYS A 48 -7.359 -3.839 -2.740 1.00 0.00 C ATOM 727 CD LYS A 48 -7.546 -2.332 -2.676 1.00 0.00 C ATOM 728 CE LYS A 48 -8.357 -1.923 -1.456 1.00 0.00 C ATOM 729 NZ LYS A 48 -9.819 -1.922 -1.736 1.00 0.00 N ATOM 0 H LYS A 48 -5.715 -5.622 -6.122 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.016 -6.035 -3.206 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.028 -3.660 -4.404 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.665 -4.112 -4.839 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.303 -4.334 -2.510 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.642 -4.150 -1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.572 -1.844 -2.647 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.048 -1.988 -3.580 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.145 -2.606 -0.634 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.049 -0.929 -1.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.336 -1.638 -0.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.025 -1.251 -2.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.119 -2.876 -2.021 1.00 0.00 H new ATOM 743 N ASP A 49 -7.770 -7.730 -3.681 1.00 0.00 N ATOM 744 CA ASP A 49 -8.889 -8.653 -3.827 1.00 0.00 C ATOM 745 C ASP A 49 -8.780 -9.439 -5.130 1.00 0.00 C ATOM 746 O ASP A 49 -9.776 -9.665 -5.816 1.00 0.00 O ATOM 747 CB ASP A 49 -10.215 -7.892 -3.786 1.00 0.00 C ATOM 748 CG ASP A 49 -10.258 -6.864 -2.672 1.00 0.00 C ATOM 749 OD1 ASP A 49 -10.126 -7.259 -1.494 1.00 0.00 O ATOM 750 OD2 ASP A 49 -10.422 -5.665 -2.978 1.00 0.00 O ATOM 0 H ASP A 49 -7.088 -8.003 -2.974 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.857 -9.357 -2.995 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.375 -7.394 -4.742 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.033 -8.600 -3.655 1.00 0.00 H new ATOM 755 N GLY A 50 -7.561 -9.852 -5.466 1.00 0.00 N ATOM 756 CA GLY A 50 -7.344 -10.606 -6.686 1.00 0.00 C ATOM 757 C GLY A 50 -7.046 -9.713 -7.874 1.00 0.00 C ATOM 758 O GLY A 50 -6.302 -10.098 -8.776 1.00 0.00 O ATOM 0 H GLY A 50 -6.721 -9.678 -4.915 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.515 -11.298 -6.539 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.228 -11.207 -6.900 1.00 0.00 H new ATOM 762 N GLU A 51 -7.629 -8.518 -7.876 1.00 0.00 N ATOM 763 CA GLU A 51 -7.423 -7.570 -8.964 1.00 0.00 C ATOM 764 C GLU A 51 -6.155 -6.752 -8.740 1.00 0.00 C ATOM 765 O GLU A 51 -5.645 -6.672 -7.623 1.00 0.00 O ATOM 766 CB GLU A 51 -8.629 -6.637 -9.092 1.00 0.00 C ATOM 767 CG GLU A 51 -9.829 -7.282 -9.766 1.00 0.00 C ATOM 768 CD GLU A 51 -11.146 -6.696 -9.297 1.00 0.00 C ATOM 769 OE1 GLU A 51 -11.545 -5.636 -9.822 1.00 0.00 O ATOM 770 OE2 GLU A 51 -11.779 -7.298 -8.404 1.00 0.00 O ATOM 0 H GLU A 51 -8.247 -8.184 -7.137 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.311 -8.136 -9.889 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.921 -6.296 -8.099 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.336 -5.754 -9.659 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.745 -7.158 -10.846 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.821 -8.354 -9.566 1.00 0.00 H new ATOM 777 N GLU A 52 -5.652 -6.146 -9.811 1.00 0.00 N ATOM 778 CA GLU A 52 -4.442 -5.335 -9.732 1.00 0.00 C ATOM 779 C GLU A 52 -4.782 -3.879 -9.423 1.00 0.00 C ATOM 780 O GLU A 52 -5.714 -3.313 -9.995 1.00 0.00 O ATOM 781 CB GLU A 52 -3.657 -5.419 -11.042 1.00 0.00 C ATOM 782 CG GLU A 52 -2.551 -4.385 -11.157 1.00 0.00 C ATOM 783 CD GLU A 52 -3.019 -3.100 -11.814 1.00 0.00 C ATOM 784 OE1 GLU A 52 -4.243 -2.854 -11.832 1.00 0.00 O ATOM 785 OE2 GLU A 52 -2.160 -2.341 -12.309 1.00 0.00 O ATOM 0 H GLU A 52 -6.063 -6.201 -10.743 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.826 -5.727 -8.923 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.223 -6.415 -11.132 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.346 -5.295 -11.877 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.164 -4.160 -10.163 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.726 -4.804 -11.733 1.00 0.00 H new ATOM 792 N VAL A 53 -4.020 -3.280 -8.513 1.00 0.00 N ATOM 793 CA VAL A 53 -4.240 -1.891 -8.128 1.00 0.00 C ATOM 794 C VAL A 53 -3.948 -0.946 -9.289 1.00 0.00 C ATOM 795 O VAL A 53 -3.011 -1.161 -10.058 1.00 0.00 O ATOM 796 CB VAL A 53 -3.361 -1.497 -6.926 1.00 0.00 C ATOM 797 CG1 VAL A 53 -3.527 -2.496 -5.792 1.00 0.00 C ATOM 798 CG2 VAL A 53 -1.902 -1.391 -7.345 1.00 0.00 C ATOM 0 H VAL A 53 -3.246 -3.735 -8.029 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.289 -1.802 -7.847 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.684 -0.520 -6.567 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.898 -2.201 -4.952 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.570 -2.517 -5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.232 -3.488 -6.135 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.295 -1.112 -6.483 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.563 -2.353 -7.731 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.801 -0.633 -8.121 1.00 0.00 H new ATOM 808 N VAL A 54 -4.757 0.102 -9.409 1.00 0.00 N ATOM 809 CA VAL A 54 -4.585 1.082 -10.474 1.00 0.00 C ATOM 810 C VAL A 54 -4.261 2.459 -9.908 1.00 0.00 C ATOM 811 O VAL A 54 -4.957 2.957 -9.023 1.00 0.00 O ATOM 812 CB VAL A 54 -5.847 1.184 -11.352 1.00 0.00 C ATOM 813 CG1 VAL A 54 -7.075 1.446 -10.493 1.00 0.00 C ATOM 814 CG2 VAL A 54 -5.679 2.272 -12.402 1.00 0.00 C ATOM 0 H VAL A 54 -5.538 0.294 -8.782 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.751 0.739 -11.087 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.989 0.233 -11.866 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.957 1.515 -11.130 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.203 0.629 -9.783 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.946 2.382 -9.950 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.580 2.330 -13.013 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.512 3.230 -11.910 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.825 2.036 -13.037 1.00 0.00 H new ATOM 824 N GLU A 55 -3.199 3.071 -10.424 1.00 0.00 N ATOM 825 CA GLU A 55 -2.782 4.392 -9.968 1.00 0.00 C ATOM 826 C GLU A 55 -3.977 5.335 -9.869 1.00 0.00 C ATOM 827 O GLU A 55 -4.921 5.244 -10.654 1.00 0.00 O ATOM 828 CB GLU A 55 -1.734 4.976 -10.917 1.00 0.00 C ATOM 829 CG GLU A 55 -0.307 4.605 -10.551 1.00 0.00 C ATOM 830 CD GLU A 55 0.612 4.560 -11.757 1.00 0.00 C ATOM 831 OE1 GLU A 55 0.344 3.760 -12.678 1.00 0.00 O ATOM 832 OE2 GLU A 55 1.599 5.324 -11.779 1.00 0.00 O ATOM 0 H GLU A 55 -2.612 2.673 -11.157 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.343 4.284 -8.976 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.941 4.632 -11.930 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.828 6.062 -10.924 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.079 5.327 -9.832 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.303 3.632 -10.059 1.00 0.00 H new ATOM 839 N SER A 56 -3.930 6.241 -8.897 1.00 0.00 N ATOM 840 CA SER A 56 -5.010 7.199 -8.692 1.00 0.00 C ATOM 841 C SER A 56 -4.589 8.290 -7.712 1.00 0.00 C ATOM 842 O SER A 56 -3.568 8.189 -7.031 1.00 0.00 O ATOM 843 CB SER A 56 -6.260 6.486 -8.173 1.00 0.00 C ATOM 844 OG SER A 56 -5.932 5.231 -7.604 1.00 0.00 O ATOM 0 H SER A 56 -3.156 6.331 -8.239 1.00 0.00 H new ATOM 0 HA SER A 56 -5.237 7.664 -9.651 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.754 7.109 -7.427 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.967 6.345 -8.990 1.00 0.00 H new ATOM 0 HG SER A 56 -6.748 4.796 -7.279 1.00 0.00 H new ATOM 850 N PRO A 57 -5.394 9.361 -7.639 1.00 0.00 N ATOM 851 CA PRO A 57 -5.127 10.492 -6.746 1.00 0.00 C ATOM 852 C PRO A 57 -5.314 10.128 -5.277 1.00 0.00 C ATOM 853 O PRO A 57 -5.155 10.970 -4.394 1.00 0.00 O ATOM 854 CB PRO A 57 -6.163 11.534 -7.174 1.00 0.00 C ATOM 855 CG PRO A 57 -7.273 10.741 -7.772 1.00 0.00 C ATOM 856 CD PRO A 57 -6.627 9.548 -8.421 1.00 0.00 C ATOM 0 HA PRO A 57 -4.096 10.838 -6.824 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.509 12.121 -6.323 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.744 12.236 -7.896 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.987 10.431 -7.009 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.825 11.332 -8.503 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.269 8.669 -8.375 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.411 9.731 -9.474 1.00 0.00 H new ATOM 864 N ALA A 58 -5.651 8.868 -5.023 1.00 0.00 N ATOM 865 CA ALA A 58 -5.857 8.392 -3.660 1.00 0.00 C ATOM 866 C ALA A 58 -4.877 7.276 -3.314 1.00 0.00 C ATOM 867 O ALA A 58 -4.738 6.896 -2.151 1.00 0.00 O ATOM 868 CB ALA A 58 -7.290 7.914 -3.479 1.00 0.00 C ATOM 0 H ALA A 58 -5.787 8.158 -5.743 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.674 9.224 -2.980 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.430 7.561 -2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.976 8.738 -3.676 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.492 7.100 -4.175 1.00 0.00 H new ATOM 874 N LEU A 59 -4.200 6.753 -4.331 1.00 0.00 N ATOM 875 CA LEU A 59 -3.233 5.679 -4.135 1.00 0.00 C ATOM 876 C LEU A 59 -1.945 5.958 -4.904 1.00 0.00 C ATOM 877 O LEU A 59 -1.886 5.783 -6.122 1.00 0.00 O ATOM 878 CB LEU A 59 -3.827 4.343 -4.582 1.00 0.00 C ATOM 879 CG LEU A 59 -2.890 3.136 -4.519 1.00 0.00 C ATOM 880 CD1 LEU A 59 -3.673 1.866 -4.229 1.00 0.00 C ATOM 881 CD2 LEU A 59 -2.110 2.999 -5.819 1.00 0.00 C ATOM 0 H LEU A 59 -4.303 7.056 -5.300 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.996 5.627 -3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.700 4.132 -3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.180 4.450 -5.608 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.180 3.293 -3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.989 1.018 -4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.186 1.965 -3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.407 1.703 -5.018 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.448 2.135 -5.757 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.805 2.865 -6.648 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.518 3.899 -5.984 1.00 0.00 H new ATOM 893 N LEU A 60 -0.915 6.392 -4.186 1.00 0.00 N ATOM 894 CA LEU A 60 0.373 6.693 -4.800 1.00 0.00 C ATOM 895 C LEU A 60 1.328 5.511 -4.672 1.00 0.00 C ATOM 896 O LEU A 60 1.570 5.011 -3.572 1.00 0.00 O ATOM 897 CB LEU A 60 0.991 7.935 -4.153 1.00 0.00 C ATOM 898 CG LEU A 60 0.126 9.196 -4.161 1.00 0.00 C ATOM 899 CD1 LEU A 60 0.803 10.312 -3.380 1.00 0.00 C ATOM 900 CD2 LEU A 60 -0.160 9.638 -5.588 1.00 0.00 C ATOM 0 H LEU A 60 -0.947 6.543 -3.178 1.00 0.00 H new ATOM 0 HA LEU A 60 0.205 6.887 -5.859 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.240 7.696 -3.119 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.928 8.158 -4.663 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.823 8.966 -3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.173 11.201 -3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.955 9.994 -2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.767 10.541 -3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.777 10.537 -5.574 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.779 9.851 -6.098 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.688 8.844 -6.116 1.00 0.00 H new ATOM 912 N LEU A 61 1.869 5.069 -5.801 1.00 0.00 N ATOM 913 CA LEU A 61 2.800 3.946 -5.815 1.00 0.00 C ATOM 914 C LEU A 61 4.244 4.436 -5.851 1.00 0.00 C ATOM 915 O LEU A 61 4.703 4.968 -6.860 1.00 0.00 O ATOM 916 CB LEU A 61 2.525 3.045 -7.021 1.00 0.00 C ATOM 917 CG LEU A 61 1.112 2.469 -7.121 1.00 0.00 C ATOM 918 CD1 LEU A 61 0.976 1.600 -8.361 1.00 0.00 C ATOM 919 CD2 LEU A 61 0.772 1.673 -5.870 1.00 0.00 C ATOM 0 H LEU A 61 1.679 5.471 -6.719 1.00 0.00 H new ATOM 0 HA LEU A 61 2.653 3.373 -4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.729 3.614 -7.928 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.233 2.216 -6.999 1.00 0.00 H new ATOM 0 HG LEU A 61 0.408 3.297 -7.204 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.036 1.199 -8.415 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.177 2.199 -9.249 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.690 0.778 -8.309 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.237 1.270 -5.958 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.481 0.853 -5.756 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.828 2.324 -4.998 1.00 0.00 H new ATOM 931 N GLN A 62 4.953 4.250 -4.742 1.00 0.00 N ATOM 932 CA GLN A 62 6.346 4.672 -4.648 1.00 0.00 C ATOM 933 C GLN A 62 7.287 3.532 -5.024 1.00 0.00 C ATOM 934 O GLN A 62 6.995 2.363 -4.772 1.00 0.00 O ATOM 935 CB GLN A 62 6.658 5.160 -3.232 1.00 0.00 C ATOM 936 CG GLN A 62 5.978 6.473 -2.878 1.00 0.00 C ATOM 937 CD GLN A 62 5.997 7.467 -4.022 1.00 0.00 C ATOM 938 OE1 GLN A 62 7.024 7.666 -4.670 1.00 0.00 O ATOM 939 NE2 GLN A 62 4.856 8.098 -4.278 1.00 0.00 N ATOM 0 H GLN A 62 4.587 3.811 -3.897 1.00 0.00 H new ATOM 0 HA GLN A 62 6.499 5.492 -5.350 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.350 4.397 -2.517 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.736 5.279 -3.127 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.945 6.277 -2.589 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.473 6.912 -2.012 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.028 7.903 -3.716 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.808 8.778 -5.037 1.00 0.00 H new ATOM 948 N LYS A 63 8.417 3.881 -5.629 1.00 0.00 N ATOM 949 CA LYS A 63 9.403 2.888 -6.040 1.00 0.00 C ATOM 950 C LYS A 63 10.814 3.341 -5.680 1.00 0.00 C ATOM 951 O LYS A 63 11.326 4.309 -6.241 1.00 0.00 O ATOM 952 CB LYS A 63 9.306 2.636 -7.547 1.00 0.00 C ATOM 953 CG LYS A 63 7.926 2.191 -8.001 1.00 0.00 C ATOM 954 CD LYS A 63 7.688 2.522 -9.465 1.00 0.00 C ATOM 955 CE LYS A 63 6.686 1.567 -10.096 1.00 0.00 C ATOM 956 NZ LYS A 63 6.944 1.373 -11.549 1.00 0.00 N ATOM 0 H LYS A 63 8.673 4.844 -5.846 1.00 0.00 H new ATOM 0 HA LYS A 63 9.191 1.961 -5.508 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.577 3.549 -8.078 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.035 1.875 -7.828 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.820 1.117 -7.848 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.166 2.677 -7.389 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.323 3.545 -9.553 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.632 2.473 -10.008 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.732 0.604 -9.587 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.677 1.954 -9.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.240 0.716 -11.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.875 2.288 -12.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.897 0.980 -11.683 1.00 0.00 H new ATOM 970 N GLU A 64 11.437 2.633 -4.743 1.00 0.00 N ATOM 971 CA GLU A 64 12.790 2.964 -4.310 1.00 0.00 C ATOM 972 C GLU A 64 13.827 2.283 -5.198 1.00 0.00 C ATOM 973 O GLU A 64 13.484 1.639 -6.190 1.00 0.00 O ATOM 974 CB GLU A 64 12.999 2.548 -2.852 1.00 0.00 C ATOM 975 CG GLU A 64 13.950 3.455 -2.091 1.00 0.00 C ATOM 976 CD GLU A 64 13.600 3.565 -0.620 1.00 0.00 C ATOM 977 OE1 GLU A 64 12.394 3.581 -0.296 1.00 0.00 O ATOM 978 OE2 GLU A 64 14.533 3.633 0.208 1.00 0.00 O ATOM 0 H GLU A 64 11.027 1.828 -4.270 1.00 0.00 H new ATOM 0 HA GLU A 64 12.917 4.043 -4.394 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.035 2.538 -2.344 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.383 1.528 -2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.967 3.075 -2.191 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.935 4.448 -2.539 1.00 0.00 H new ATOM 985 N ASP A 65 15.097 2.430 -4.835 1.00 0.00 N ATOM 986 CA ASP A 65 16.185 1.829 -5.598 1.00 0.00 C ATOM 987 C ASP A 65 15.934 0.341 -5.822 1.00 0.00 C ATOM 988 O ASP A 65 15.733 -0.103 -6.953 1.00 0.00 O ATOM 989 CB ASP A 65 17.516 2.032 -4.873 1.00 0.00 C ATOM 990 CG ASP A 65 18.178 3.347 -5.234 1.00 0.00 C ATOM 991 OD1 ASP A 65 17.763 4.390 -4.687 1.00 0.00 O ATOM 992 OD2 ASP A 65 19.111 3.333 -6.064 1.00 0.00 O ATOM 0 H ASP A 65 15.398 2.960 -4.017 1.00 0.00 H new ATOM 0 HA ASP A 65 16.231 2.321 -6.570 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.349 1.996 -3.796 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.189 1.210 -5.119 1.00 0.00 H new ATOM 997 N THR A 66 15.949 -0.426 -4.736 1.00 0.00 N ATOM 998 CA THR A 66 15.726 -1.865 -4.814 1.00 0.00 C ATOM 999 C THR A 66 14.512 -2.278 -3.990 1.00 0.00 C ATOM 1000 O THR A 66 14.193 -3.463 -3.887 1.00 0.00 O ATOM 1001 CB THR A 66 16.957 -2.651 -4.324 1.00 0.00 C ATOM 1002 OG1 THR A 66 17.602 -1.939 -3.262 1.00 0.00 O ATOM 1003 CG2 THR A 66 17.942 -2.878 -5.460 1.00 0.00 C ATOM 0 H THR A 66 16.113 -0.075 -3.792 1.00 0.00 H new ATOM 0 HA THR A 66 15.547 -2.101 -5.863 1.00 0.00 H new ATOM 0 HB THR A 66 16.619 -3.621 -3.958 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.382 -2.446 -2.955 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.803 -3.435 -5.089 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.457 -3.446 -6.254 1.00 0.00 H new ATOM 0 HG23 THR A 66 18.273 -1.916 -5.852 1.00 0.00 H new ATOM 1011 N VAL A 67 13.836 -1.294 -3.406 1.00 0.00 N ATOM 1012 CA VAL A 67 12.655 -1.556 -2.592 1.00 0.00 C ATOM 1013 C VAL A 67 11.469 -0.721 -3.062 1.00 0.00 C ATOM 1014 O VAL A 67 11.630 0.427 -3.475 1.00 0.00 O ATOM 1015 CB VAL A 67 12.921 -1.259 -1.104 1.00 0.00 C ATOM 1016 CG1 VAL A 67 13.628 0.078 -0.945 1.00 0.00 C ATOM 1017 CG2 VAL A 67 11.620 -1.281 -0.316 1.00 0.00 C ATOM 0 H VAL A 67 14.086 -0.308 -3.481 1.00 0.00 H new ATOM 0 HA VAL A 67 12.420 -2.614 -2.706 1.00 0.00 H new ATOM 0 HB VAL A 67 13.573 -2.037 -0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 67 13.808 0.271 0.113 1.00 0.00 H new ATOM 0 HG12 VAL A 67 14.580 0.052 -1.476 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.004 0.871 -1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.826 -1.069 0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.942 -0.525 -0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.158 -2.264 -0.404 1.00 0.00 H new ATOM 1027 N ARG A 68 10.277 -1.306 -2.994 1.00 0.00 N ATOM 1028 CA ARG A 68 9.063 -0.616 -3.412 1.00 0.00 C ATOM 1029 C ARG A 68 8.243 -0.176 -2.203 1.00 0.00 C ATOM 1030 O ARG A 68 8.358 -0.750 -1.120 1.00 0.00 O ATOM 1031 CB ARG A 68 8.220 -1.523 -4.311 1.00 0.00 C ATOM 1032 CG ARG A 68 8.898 -1.883 -5.622 1.00 0.00 C ATOM 1033 CD ARG A 68 8.655 -0.822 -6.684 1.00 0.00 C ATOM 1034 NE ARG A 68 7.424 -1.069 -7.432 1.00 0.00 N ATOM 1035 CZ ARG A 68 6.256 -0.516 -7.125 1.00 0.00 C ATOM 1036 NH1 ARG A 68 6.159 0.309 -6.093 1.00 0.00 N ATOM 1037 NH2 ARG A 68 5.180 -0.790 -7.853 1.00 0.00 N ATOM 0 H ARG A 68 10.127 -2.256 -2.654 1.00 0.00 H new ATOM 0 HA ARG A 68 9.355 0.272 -3.973 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.985 -2.440 -3.770 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.273 -1.028 -4.526 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.970 -1.998 -5.459 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.524 -2.844 -5.974 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.602 0.159 -6.211 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.499 -0.798 -7.373 1.00 0.00 H new ATOM 0 HE ARG A 68 7.464 -1.700 -8.233 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.983 0.522 -5.531 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.260 0.732 -5.861 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.250 -1.425 -8.648 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.283 -0.365 -7.617 1.00 0.00 H new ATOM 1051 N ARG A 69 7.417 0.847 -2.396 1.00 0.00 N ATOM 1052 CA ARG A 69 6.579 1.366 -1.321 1.00 0.00 C ATOM 1053 C ARG A 69 5.274 1.932 -1.873 1.00 0.00 C ATOM 1054 O ARG A 69 5.252 2.536 -2.946 1.00 0.00 O ATOM 1055 CB ARG A 69 7.327 2.448 -0.540 1.00 0.00 C ATOM 1056 CG ARG A 69 8.470 1.909 0.306 1.00 0.00 C ATOM 1057 CD ARG A 69 8.876 2.898 1.388 1.00 0.00 C ATOM 1058 NE ARG A 69 9.904 3.825 0.923 1.00 0.00 N ATOM 1059 CZ ARG A 69 10.440 4.771 1.687 1.00 0.00 C ATOM 1060 NH1 ARG A 69 10.048 4.913 2.945 1.00 0.00 N ATOM 1061 NH2 ARG A 69 11.372 5.576 1.192 1.00 0.00 N ATOM 0 H ARG A 69 7.310 1.333 -3.286 1.00 0.00 H new ATOM 0 HA ARG A 69 6.341 0.541 -0.649 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.721 3.184 -1.241 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.622 2.970 0.107 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.171 0.967 0.766 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.327 1.694 -0.332 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.000 3.460 1.712 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.245 2.353 2.257 1.00 0.00 H new ATOM 0 HE ARG A 69 10.228 3.742 -0.041 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.333 4.295 3.329 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.461 5.640 3.529 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.677 5.469 0.225 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.783 6.302 1.779 1.00 0.00 H new ATOM 1075 N LEU A 70 4.189 1.731 -1.133 1.00 0.00 N ATOM 1076 CA LEU A 70 2.879 2.221 -1.548 1.00 0.00 C ATOM 1077 C LEU A 70 2.333 3.233 -0.546 1.00 0.00 C ATOM 1078 O LEU A 70 1.978 2.879 0.579 1.00 0.00 O ATOM 1079 CB LEU A 70 1.901 1.055 -1.698 1.00 0.00 C ATOM 1080 CG LEU A 70 0.417 1.404 -1.576 1.00 0.00 C ATOM 1081 CD1 LEU A 70 0.025 2.438 -2.619 1.00 0.00 C ATOM 1082 CD2 LEU A 70 -0.438 0.153 -1.714 1.00 0.00 C ATOM 0 H LEU A 70 4.190 1.232 -0.243 1.00 0.00 H new ATOM 0 HA LEU A 70 2.993 2.718 -2.512 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.066 0.591 -2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.141 0.306 -0.943 1.00 0.00 H new ATOM 0 HG LEU A 70 0.243 1.831 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.034 2.674 -2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.614 3.343 -2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.214 2.039 -3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.491 0.420 -1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.261 -0.303 -2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.176 -0.556 -0.928 1.00 0.00 H new ATOM 1094 N VAL A 71 2.267 4.494 -0.962 1.00 0.00 N ATOM 1095 CA VAL A 71 1.761 5.557 -0.102 1.00 0.00 C ATOM 1096 C VAL A 71 0.370 6.002 -0.539 1.00 0.00 C ATOM 1097 O VAL A 71 0.105 6.167 -1.731 1.00 0.00 O ATOM 1098 CB VAL A 71 2.702 6.776 -0.103 1.00 0.00 C ATOM 1099 CG1 VAL A 71 2.131 7.893 0.756 1.00 0.00 C ATOM 1100 CG2 VAL A 71 4.089 6.377 0.379 1.00 0.00 C ATOM 0 H VAL A 71 2.558 4.804 -1.889 1.00 0.00 H new ATOM 0 HA VAL A 71 1.708 5.149 0.907 1.00 0.00 H new ATOM 0 HB VAL A 71 2.789 7.146 -1.125 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.810 8.746 0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.161 8.196 0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.012 7.540 1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.742 7.250 0.372 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.022 5.982 1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.498 5.613 -0.282 1.00 0.00 H new ATOM 1110 N LEU A 72 -0.515 6.197 0.432 1.00 0.00 N ATOM 1111 CA LEU A 72 -1.881 6.624 0.148 1.00 0.00 C ATOM 1112 C LEU A 72 -2.173 7.976 0.791 1.00 0.00 C ATOM 1113 O LEU A 72 -2.418 8.079 1.993 1.00 0.00 O ATOM 1114 CB LEU A 72 -2.879 5.580 0.652 1.00 0.00 C ATOM 1115 CG LEU A 72 -2.936 4.271 -0.137 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -1.693 3.436 0.124 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -4.191 3.489 0.221 1.00 0.00 C ATOM 0 H LEU A 72 -0.312 6.066 1.423 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.986 6.725 -0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.637 5.346 1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.874 6.026 0.650 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.971 4.510 -1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.751 2.509 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.809 3.995 -0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.626 3.205 1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.216 2.560 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.186 3.260 1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.072 4.085 -0.018 1.00 0.00 H new ATOM 1129 N PRO A 73 -2.150 9.039 -0.027 1.00 0.00 N ATOM 1130 CA PRO A 73 -2.413 10.403 0.440 1.00 0.00 C ATOM 1131 C PRO A 73 -3.872 10.612 0.829 1.00 0.00 C ATOM 1132 O PRO A 73 -4.231 11.640 1.402 1.00 0.00 O ATOM 1133 CB PRO A 73 -2.054 11.268 -0.771 1.00 0.00 C ATOM 1134 CG PRO A 73 -2.233 10.369 -1.945 1.00 0.00 C ATOM 1135 CD PRO A 73 -1.866 8.990 -1.471 1.00 0.00 C ATOM 0 HA PRO A 73 -1.843 10.643 1.337 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.702 12.142 -0.839 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.030 11.635 -0.706 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.262 10.397 -2.305 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.597 10.679 -2.774 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.457 8.223 -1.971 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.818 8.763 -1.667 1.00 0.00 H new ATOM 1143 N ALA A 74 -4.710 9.629 0.514 1.00 0.00 N ATOM 1144 CA ALA A 74 -6.130 9.704 0.834 1.00 0.00 C ATOM 1145 C ALA A 74 -6.769 8.319 0.824 1.00 0.00 C ATOM 1146 O ALA A 74 -7.002 7.740 -0.237 1.00 0.00 O ATOM 1147 CB ALA A 74 -6.844 10.624 -0.146 1.00 0.00 C ATOM 0 H ALA A 74 -4.430 8.772 0.038 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.230 10.114 1.839 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.904 10.671 0.105 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.413 11.623 -0.087 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.727 10.238 -1.159 1.00 0.00 H new ATOM 1153 N VAL A 75 -7.050 7.794 2.012 1.00 0.00 N ATOM 1154 CA VAL A 75 -7.662 6.477 2.140 1.00 0.00 C ATOM 1155 C VAL A 75 -9.137 6.590 2.510 1.00 0.00 C ATOM 1156 O VAL A 75 -9.616 7.667 2.863 1.00 0.00 O ATOM 1157 CB VAL A 75 -6.942 5.623 3.201 1.00 0.00 C ATOM 1158 CG1 VAL A 75 -5.445 5.895 3.180 1.00 0.00 C ATOM 1159 CG2 VAL A 75 -7.521 5.891 4.582 1.00 0.00 C ATOM 0 H VAL A 75 -6.864 8.261 2.900 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.570 5.990 1.169 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.099 4.571 2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.953 5.283 3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.044 5.649 2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.264 6.949 3.392 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.001 5.280 5.319 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.396 6.945 4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.582 5.641 4.587 1.00 0.00 H new ATOM 1169 N GLN A 76 -9.850 5.471 2.427 1.00 0.00 N ATOM 1170 CA GLN A 76 -11.270 5.446 2.753 1.00 0.00 C ATOM 1171 C GLN A 76 -11.655 4.124 3.409 1.00 0.00 C ATOM 1172 O GLN A 76 -11.115 3.070 3.069 1.00 0.00 O ATOM 1173 CB GLN A 76 -12.109 5.666 1.493 1.00 0.00 C ATOM 1174 CG GLN A 76 -12.207 7.124 1.074 1.00 0.00 C ATOM 1175 CD GLN A 76 -12.351 7.293 -0.425 1.00 0.00 C ATOM 1176 OE1 GLN A 76 -13.239 6.706 -1.045 1.00 0.00 O ATOM 1177 NE2 GLN A 76 -11.476 8.097 -1.018 1.00 0.00 N ATOM 0 H GLN A 76 -9.467 4.571 2.137 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.468 6.253 3.459 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.678 5.090 0.674 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.113 5.277 1.663 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -13.061 7.584 1.571 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -11.317 7.655 1.412 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.756 8.563 -0.466 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.524 8.248 -2.026 1.00 0.00 H new ATOM 1186 N LEU A 77 -12.589 4.186 4.351 1.00 0.00 N ATOM 1187 CA LEU A 77 -13.046 2.993 5.055 1.00 0.00 C ATOM 1188 C LEU A 77 -13.269 1.838 4.084 1.00 0.00 C ATOM 1189 O LEU A 77 -13.120 0.672 4.447 1.00 0.00 O ATOM 1190 CB LEU A 77 -14.339 3.290 5.817 1.00 0.00 C ATOM 1191 CG LEU A 77 -14.292 4.477 6.781 1.00 0.00 C ATOM 1192 CD1 LEU A 77 -15.677 4.767 7.338 1.00 0.00 C ATOM 1193 CD2 LEU A 77 -13.307 4.209 7.909 1.00 0.00 C ATOM 0 H LEU A 77 -13.045 5.050 4.645 1.00 0.00 H new ATOM 0 HA LEU A 77 -12.271 2.702 5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.132 3.468 5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.617 2.400 6.381 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.953 5.355 6.230 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -15.624 5.614 8.022 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.356 5.003 6.519 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -16.045 3.891 7.873 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.287 5.064 8.585 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.616 3.319 8.458 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.312 4.051 7.493 1.00 0.00 H new ATOM 1205 N GLU A 78 -13.625 2.173 2.847 1.00 0.00 N ATOM 1206 CA GLU A 78 -13.867 1.163 1.823 1.00 0.00 C ATOM 1207 C GLU A 78 -12.561 0.501 1.393 1.00 0.00 C ATOM 1208 O GLU A 78 -12.514 -0.705 1.152 1.00 0.00 O ATOM 1209 CB GLU A 78 -14.558 1.790 0.611 1.00 0.00 C ATOM 1210 CG GLU A 78 -16.035 2.070 0.829 1.00 0.00 C ATOM 1211 CD GLU A 78 -16.882 0.813 0.776 1.00 0.00 C ATOM 1212 OE1 GLU A 78 -16.716 -0.050 1.663 1.00 0.00 O ATOM 1213 OE2 GLU A 78 -17.708 0.692 -0.152 1.00 0.00 O ATOM 0 H GLU A 78 -13.752 3.134 2.530 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.518 0.399 2.248 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.054 2.723 0.358 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.446 1.125 -0.245 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.170 2.554 1.796 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.384 2.771 0.070 1.00 0.00 H new ATOM 1220 N ASP A 79 -11.504 1.299 1.297 1.00 0.00 N ATOM 1221 CA ASP A 79 -10.197 0.792 0.896 1.00 0.00 C ATOM 1222 C ASP A 79 -9.753 -0.347 1.808 1.00 0.00 C ATOM 1223 O ASP A 79 -9.118 -1.302 1.361 1.00 0.00 O ATOM 1224 CB ASP A 79 -9.160 1.916 0.922 1.00 0.00 C ATOM 1225 CG ASP A 79 -9.204 2.774 -0.327 1.00 0.00 C ATOM 1226 OD1 ASP A 79 -10.024 3.715 -0.372 1.00 0.00 O ATOM 1227 OD2 ASP A 79 -8.420 2.503 -1.261 1.00 0.00 O ATOM 0 H ASP A 79 -11.526 2.300 1.491 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.280 0.408 -0.121 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.331 2.544 1.797 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.164 1.485 1.028 1.00 0.00 H new ATOM 1232 N SER A 80 -10.090 -0.239 3.089 1.00 0.00 N ATOM 1233 CA SER A 80 -9.722 -1.257 4.065 1.00 0.00 C ATOM 1234 C SER A 80 -9.999 -2.656 3.522 1.00 0.00 C ATOM 1235 O SER A 80 -11.145 -3.014 3.255 1.00 0.00 O ATOM 1236 CB SER A 80 -10.490 -1.044 5.371 1.00 0.00 C ATOM 1237 OG SER A 80 -11.842 -1.446 5.239 1.00 0.00 O ATOM 0 H SER A 80 -10.618 0.544 3.475 1.00 0.00 H new ATOM 0 HA SER A 80 -8.654 -1.167 4.261 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.015 -1.611 6.172 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.446 0.007 5.655 1.00 0.00 H new ATOM 0 HG SER A 80 -12.299 -0.853 4.606 1.00 0.00 H new ATOM 1243 N GLY A 81 -8.939 -3.443 3.361 1.00 0.00 N ATOM 1244 CA GLY A 81 -9.088 -4.793 2.851 1.00 0.00 C ATOM 1245 C GLY A 81 -7.820 -5.610 2.994 1.00 0.00 C ATOM 1246 O GLY A 81 -7.138 -5.535 4.015 1.00 0.00 O ATOM 0 H GLY A 81 -7.980 -3.169 3.575 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.899 -5.291 3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.373 -4.752 1.800 1.00 0.00 H new ATOM 1250 N GLU A 82 -7.504 -6.395 1.968 1.00 0.00 N ATOM 1251 CA GLU A 82 -6.310 -7.231 1.987 1.00 0.00 C ATOM 1252 C GLU A 82 -5.371 -6.864 0.842 1.00 0.00 C ATOM 1253 O GLU A 82 -5.596 -7.245 -0.307 1.00 0.00 O ATOM 1254 CB GLU A 82 -6.694 -8.709 1.891 1.00 0.00 C ATOM 1255 CG GLU A 82 -5.719 -9.639 2.593 1.00 0.00 C ATOM 1256 CD GLU A 82 -6.027 -11.103 2.346 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -5.906 -11.546 1.184 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -6.388 -11.805 3.313 1.00 0.00 O ATOM 0 H GLU A 82 -8.058 -6.469 1.115 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.791 -7.058 2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.687 -8.846 2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.759 -8.991 0.840 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.707 -9.422 2.252 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.743 -9.442 3.665 1.00 0.00 H new ATOM 1265 N TYR A 83 -4.318 -6.121 1.164 1.00 0.00 N ATOM 1266 CA TYR A 83 -3.345 -5.698 0.163 1.00 0.00 C ATOM 1267 C TYR A 83 -2.285 -6.774 -0.055 1.00 0.00 C ATOM 1268 O TYR A 83 -1.444 -7.018 0.811 1.00 0.00 O ATOM 1269 CB TYR A 83 -2.679 -4.389 0.589 1.00 0.00 C ATOM 1270 CG TYR A 83 -3.472 -3.157 0.217 1.00 0.00 C ATOM 1271 CD1 TYR A 83 -4.440 -2.645 1.073 1.00 0.00 C ATOM 1272 CD2 TYR A 83 -3.256 -2.505 -0.991 1.00 0.00 C ATOM 1273 CE1 TYR A 83 -5.168 -1.520 0.737 1.00 0.00 C ATOM 1274 CE2 TYR A 83 -3.978 -1.379 -1.334 1.00 0.00 C ATOM 1275 CZ TYR A 83 -4.933 -0.890 -0.467 1.00 0.00 C ATOM 1276 OH TYR A 83 -5.655 0.231 -0.806 1.00 0.00 O ATOM 0 H TYR A 83 -4.116 -5.799 2.111 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.874 -5.539 -0.777 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.529 -4.402 1.669 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.692 -4.327 0.131 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.626 -3.135 2.017 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -2.510 -2.886 -1.673 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.917 -1.136 1.414 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.796 -0.884 -2.276 1.00 0.00 H new ATOM 0 HH TYR A 83 -5.366 0.553 -1.685 1.00 0.00 H new ATOM 1286 N LEU A 84 -2.332 -7.414 -1.218 1.00 0.00 N ATOM 1287 CA LEU A 84 -1.376 -8.464 -1.552 1.00 0.00 C ATOM 1288 C LEU A 84 -0.421 -8.002 -2.649 1.00 0.00 C ATOM 1289 O LEU A 84 -0.832 -7.772 -3.787 1.00 0.00 O ATOM 1290 CB LEU A 84 -2.112 -9.728 -2.000 1.00 0.00 C ATOM 1291 CG LEU A 84 -2.393 -10.763 -0.910 1.00 0.00 C ATOM 1292 CD1 LEU A 84 -1.150 -11.593 -0.630 1.00 0.00 C ATOM 1293 CD2 LEU A 84 -2.879 -10.081 0.360 1.00 0.00 C ATOM 0 H LEU A 84 -3.022 -7.224 -1.945 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.793 -8.688 -0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.062 -9.433 -2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.526 -10.206 -2.785 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.179 -11.431 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.368 -12.324 0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.846 -12.111 -1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.343 -10.940 -0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.074 -10.833 1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.115 -9.390 0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.796 -9.531 0.149 1.00 0.00 H new ATOM 1305 N CYS A 85 0.854 -7.871 -2.299 1.00 0.00 N ATOM 1306 CA CYS A 85 1.868 -7.439 -3.254 1.00 0.00 C ATOM 1307 C CYS A 85 2.451 -8.631 -4.006 1.00 0.00 C ATOM 1308 O CYS A 85 3.212 -9.418 -3.444 1.00 0.00 O ATOM 1309 CB CYS A 85 2.983 -6.678 -2.536 1.00 0.00 C ATOM 1310 SG CYS A 85 3.970 -5.618 -3.618 1.00 0.00 S ATOM 0 H CYS A 85 1.210 -8.058 -1.361 1.00 0.00 H new ATOM 0 HA CYS A 85 1.392 -6.776 -3.976 1.00 0.00 H new ATOM 0 HB2 CYS A 85 2.542 -6.066 -1.750 1.00 0.00 H new ATOM 0 HB3 CYS A 85 3.643 -7.396 -2.049 1.00 0.00 H new ATOM 0 HG CYS A 85 3.501 -4.406 -3.583 1.00 0.00 H new ATOM 1316 N GLU A 86 2.087 -8.757 -5.278 1.00 0.00 N ATOM 1317 CA GLU A 86 2.573 -9.856 -6.105 1.00 0.00 C ATOM 1318 C GLU A 86 3.692 -9.386 -7.031 1.00 0.00 C ATOM 1319 O GLU A 86 3.585 -8.338 -7.669 1.00 0.00 O ATOM 1320 CB GLU A 86 1.428 -10.447 -6.930 1.00 0.00 C ATOM 1321 CG GLU A 86 0.122 -10.564 -6.163 1.00 0.00 C ATOM 1322 CD GLU A 86 -0.737 -11.717 -6.644 1.00 0.00 C ATOM 1323 OE1 GLU A 86 -0.555 -12.845 -6.139 1.00 0.00 O ATOM 1324 OE2 GLU A 86 -1.591 -11.492 -7.527 1.00 0.00 O ATOM 0 H GLU A 86 1.458 -8.113 -5.758 1.00 0.00 H new ATOM 0 HA GLU A 86 2.971 -10.626 -5.444 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.268 -9.825 -7.811 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.720 -11.435 -7.286 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.338 -10.695 -5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.437 -9.634 -6.262 1.00 0.00 H new ATOM 1331 N ILE A 87 4.763 -10.169 -7.098 1.00 0.00 N ATOM 1332 CA ILE A 87 5.901 -9.834 -7.945 1.00 0.00 C ATOM 1333 C ILE A 87 5.997 -10.780 -9.137 1.00 0.00 C ATOM 1334 O ILE A 87 5.913 -10.354 -10.289 1.00 0.00 O ATOM 1335 CB ILE A 87 7.224 -9.883 -7.157 1.00 0.00 C ATOM 1336 CG1 ILE A 87 8.367 -10.337 -8.067 1.00 0.00 C ATOM 1337 CG2 ILE A 87 7.092 -10.812 -5.959 1.00 0.00 C ATOM 1338 CD1 ILE A 87 9.721 -9.809 -7.645 1.00 0.00 C ATOM 0 H ILE A 87 4.867 -11.039 -6.576 1.00 0.00 H new ATOM 0 HA ILE A 87 5.739 -8.817 -8.303 1.00 0.00 H new ATOM 0 HB ILE A 87 7.451 -8.881 -6.792 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.399 -11.426 -8.081 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.160 -10.011 -9.086 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.034 -10.836 -5.412 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.301 -10.449 -5.303 1.00 0.00 H new ATOM 0 HG23 ILE A 87 6.846 -11.817 -6.303 1.00 0.00 H new ATOM 0 HD11 ILE A 87 10.484 -10.171 -8.335 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.707 -8.719 -7.659 1.00 0.00 H new ATOM 0 HD13 ILE A 87 9.949 -10.156 -6.637 1.00 0.00 H new ATOM 1350 N ASP A 88 6.170 -12.066 -8.852 1.00 0.00 N ATOM 1351 CA ASP A 88 6.273 -13.074 -9.900 1.00 0.00 C ATOM 1352 C ASP A 88 5.402 -14.284 -9.578 1.00 0.00 C ATOM 1353 O ASP A 88 4.368 -14.503 -10.211 1.00 0.00 O ATOM 1354 CB ASP A 88 7.729 -13.511 -10.075 1.00 0.00 C ATOM 1355 CG ASP A 88 8.045 -13.911 -11.503 1.00 0.00 C ATOM 1356 OD1 ASP A 88 8.050 -13.024 -12.381 1.00 0.00 O ATOM 1357 OD2 ASP A 88 8.288 -15.113 -11.743 1.00 0.00 O ATOM 0 H ASP A 88 6.242 -12.435 -7.904 1.00 0.00 H new ATOM 0 HA ASP A 88 5.919 -12.632 -10.831 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.388 -12.697 -9.774 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.936 -14.350 -9.411 1.00 0.00 H new ATOM 1362 N ASP A 89 5.826 -15.067 -8.593 1.00 0.00 N ATOM 1363 CA ASP A 89 5.084 -16.255 -8.187 1.00 0.00 C ATOM 1364 C ASP A 89 4.645 -16.150 -6.730 1.00 0.00 C ATOM 1365 O ASP A 89 3.714 -16.831 -6.302 1.00 0.00 O ATOM 1366 CB ASP A 89 5.938 -17.508 -8.386 1.00 0.00 C ATOM 1367 CG ASP A 89 7.169 -17.517 -7.500 1.00 0.00 C ATOM 1368 OD1 ASP A 89 7.613 -16.424 -7.091 1.00 0.00 O ATOM 1369 OD2 ASP A 89 7.689 -18.617 -7.216 1.00 0.00 O ATOM 0 H ASP A 89 6.680 -14.901 -8.060 1.00 0.00 H new ATOM 0 HA ASP A 89 4.194 -16.328 -8.812 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.336 -18.392 -8.175 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.245 -17.573 -9.430 1.00 0.00 H new ATOM 1374 N GLU A 90 5.323 -15.293 -5.973 1.00 0.00 N ATOM 1375 CA GLU A 90 5.003 -15.101 -4.563 1.00 0.00 C ATOM 1376 C GLU A 90 4.235 -13.799 -4.352 1.00 0.00 C ATOM 1377 O GLU A 90 4.137 -12.970 -5.257 1.00 0.00 O ATOM 1378 CB GLU A 90 6.281 -15.094 -3.723 1.00 0.00 C ATOM 1379 CG GLU A 90 7.114 -16.356 -3.872 1.00 0.00 C ATOM 1380 CD GLU A 90 6.463 -17.565 -3.228 1.00 0.00 C ATOM 1381 OE1 GLU A 90 5.662 -18.240 -3.907 1.00 0.00 O ATOM 1382 OE2 GLU A 90 6.755 -17.835 -2.044 1.00 0.00 O ATOM 0 H GLU A 90 6.097 -14.721 -6.312 1.00 0.00 H new ATOM 0 HA GLU A 90 4.372 -15.931 -4.244 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.887 -14.233 -4.006 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.015 -14.966 -2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.276 -16.557 -4.931 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.095 -16.194 -3.424 1.00 0.00 H new ATOM 1389 N SER A 91 3.693 -13.627 -3.151 1.00 0.00 N ATOM 1390 CA SER A 91 2.930 -12.428 -2.821 1.00 0.00 C ATOM 1391 C SER A 91 3.130 -12.043 -1.358 1.00 0.00 C ATOM 1392 O SER A 91 3.311 -12.904 -0.498 1.00 0.00 O ATOM 1393 CB SER A 91 1.443 -12.650 -3.104 1.00 0.00 C ATOM 1394 OG SER A 91 0.961 -13.798 -2.427 1.00 0.00 O ATOM 0 H SER A 91 3.768 -14.302 -2.390 1.00 0.00 H new ATOM 0 HA SER A 91 3.293 -11.612 -3.446 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.875 -11.774 -2.791 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.287 -12.764 -4.177 1.00 0.00 H new ATOM 0 HG SER A 91 0.008 -13.917 -2.623 1.00 0.00 H new ATOM 1400 N ALA A 92 3.094 -10.743 -1.086 1.00 0.00 N ATOM 1401 CA ALA A 92 3.268 -10.242 0.272 1.00 0.00 C ATOM 1402 C ALA A 92 1.934 -9.819 0.877 1.00 0.00 C ATOM 1403 O ALA A 92 1.157 -9.099 0.250 1.00 0.00 O ATOM 1404 CB ALA A 92 4.248 -9.078 0.284 1.00 0.00 C ATOM 0 H ALA A 92 2.946 -10.018 -1.788 1.00 0.00 H new ATOM 0 HA ALA A 92 3.673 -11.050 0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.368 -8.714 1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.213 -9.411 -0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.866 -8.274 -0.345 1.00 0.00 H new ATOM 1410 N SER A 93 1.674 -10.272 2.100 1.00 0.00 N ATOM 1411 CA SER A 93 0.431 -9.944 2.787 1.00 0.00 C ATOM 1412 C SER A 93 0.551 -8.611 3.520 1.00 0.00 C ATOM 1413 O SER A 93 1.446 -8.421 4.344 1.00 0.00 O ATOM 1414 CB SER A 93 0.063 -11.052 3.777 1.00 0.00 C ATOM 1415 OG SER A 93 -0.990 -10.642 4.632 1.00 0.00 O ATOM 0 H SER A 93 2.307 -10.867 2.634 1.00 0.00 H new ATOM 0 HA SER A 93 -0.357 -9.858 2.039 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.235 -11.947 3.231 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.937 -11.317 4.372 1.00 0.00 H new ATOM 0 HG SER A 93 -0.620 -10.364 5.496 1.00 0.00 H new ATOM 1421 N PHE A 94 -0.358 -7.691 3.215 1.00 0.00 N ATOM 1422 CA PHE A 94 -0.355 -6.375 3.843 1.00 0.00 C ATOM 1423 C PHE A 94 -1.754 -5.997 4.320 1.00 0.00 C ATOM 1424 O PHE A 94 -2.594 -5.558 3.533 1.00 0.00 O ATOM 1425 CB PHE A 94 0.165 -5.321 2.864 1.00 0.00 C ATOM 1426 CG PHE A 94 1.662 -5.306 2.738 1.00 0.00 C ATOM 1427 CD1 PHE A 94 2.449 -4.772 3.746 1.00 0.00 C ATOM 1428 CD2 PHE A 94 2.281 -5.825 1.613 1.00 0.00 C ATOM 1429 CE1 PHE A 94 3.827 -4.757 3.633 1.00 0.00 C ATOM 1430 CE2 PHE A 94 3.658 -5.813 1.495 1.00 0.00 C ATOM 1431 CZ PHE A 94 4.432 -5.277 2.506 1.00 0.00 C ATOM 0 H PHE A 94 -1.106 -7.833 2.537 1.00 0.00 H new ATOM 0 HA PHE A 94 0.306 -6.414 4.709 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.272 -5.502 1.882 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.174 -4.337 3.188 1.00 0.00 H new ATOM 0 HD1 PHE A 94 1.981 -4.363 4.629 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.681 -6.244 0.819 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.430 -4.339 4.426 1.00 0.00 H new ATOM 0 HE2 PHE A 94 4.128 -6.222 0.613 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.508 -5.265 2.415 1.00 0.00 H new ATOM 1441 N THR A 95 -1.999 -6.169 5.615 1.00 0.00 N ATOM 1442 CA THR A 95 -3.296 -5.848 6.198 1.00 0.00 C ATOM 1443 C THR A 95 -3.399 -4.363 6.524 1.00 0.00 C ATOM 1444 O THR A 95 -2.544 -3.807 7.214 1.00 0.00 O ATOM 1445 CB THR A 95 -3.553 -6.663 7.479 1.00 0.00 C ATOM 1446 OG1 THR A 95 -3.665 -8.055 7.161 1.00 0.00 O ATOM 1447 CG2 THR A 95 -4.822 -6.193 8.173 1.00 0.00 C ATOM 0 H THR A 95 -1.315 -6.529 6.281 1.00 0.00 H new ATOM 0 HA THR A 95 -4.050 -6.107 5.455 1.00 0.00 H new ATOM 0 HB THR A 95 -2.711 -6.512 8.154 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.827 -8.566 7.981 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.983 -6.783 9.075 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.722 -5.141 8.440 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.671 -6.318 7.501 1.00 0.00 H new ATOM 1455 N VAL A 96 -4.452 -3.724 6.025 1.00 0.00 N ATOM 1456 CA VAL A 96 -4.668 -2.302 6.265 1.00 0.00 C ATOM 1457 C VAL A 96 -6.115 -2.025 6.660 1.00 0.00 C ATOM 1458 O VAL A 96 -7.021 -2.092 5.829 1.00 0.00 O ATOM 1459 CB VAL A 96 -4.317 -1.463 5.022 1.00 0.00 C ATOM 1460 CG1 VAL A 96 -4.518 0.018 5.304 1.00 0.00 C ATOM 1461 CG2 VAL A 96 -2.889 -1.741 4.578 1.00 0.00 C ATOM 0 H VAL A 96 -5.169 -4.169 5.452 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.009 -2.016 7.085 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.987 -1.748 4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.265 0.595 4.415 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.559 0.200 5.571 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.874 0.322 6.129 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.658 -1.140 3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.201 -1.485 5.384 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.783 -2.798 4.333 1.00 0.00 H new ATOM 1471 N THR A 97 -6.325 -1.712 7.935 1.00 0.00 N ATOM 1472 CA THR A 97 -7.661 -1.426 8.441 1.00 0.00 C ATOM 1473 C THR A 97 -7.857 0.070 8.660 1.00 0.00 C ATOM 1474 O THR A 97 -7.156 0.688 9.461 1.00 0.00 O ATOM 1475 CB THR A 97 -7.931 -2.166 9.765 1.00 0.00 C ATOM 1476 OG1 THR A 97 -7.827 -3.580 9.566 1.00 0.00 O ATOM 1477 CG2 THR A 97 -9.312 -1.825 10.304 1.00 0.00 C ATOM 0 H THR A 97 -5.586 -1.650 8.636 1.00 0.00 H new ATOM 0 HA THR A 97 -8.366 -1.776 7.687 1.00 0.00 H new ATOM 0 HB THR A 97 -7.185 -1.846 10.493 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.998 -4.043 10.413 1.00 0.00 H new ATOM 0 HG21 THR A 97 -9.480 -2.359 11.239 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.378 -0.752 10.482 1.00 0.00 H new ATOM 0 HG23 THR A 97 -10.069 -2.119 9.577 1.00 0.00 H new ATOM 1485 N VAL A 98 -8.815 0.648 7.942 1.00 0.00 N ATOM 1486 CA VAL A 98 -9.105 2.072 8.059 1.00 0.00 C ATOM 1487 C VAL A 98 -10.332 2.314 8.931 1.00 0.00 C ATOM 1488 O VAL A 98 -11.271 1.516 8.937 1.00 0.00 O ATOM 1489 CB VAL A 98 -9.336 2.713 6.678 1.00 0.00 C ATOM 1490 CG1 VAL A 98 -9.671 4.190 6.823 1.00 0.00 C ATOM 1491 CG2 VAL A 98 -8.116 2.519 5.790 1.00 0.00 C ATOM 0 H VAL A 98 -9.404 0.152 7.273 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.235 2.534 8.525 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.184 2.218 6.205 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -9.831 4.625 5.837 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.576 4.301 7.420 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.846 4.703 7.317 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.297 2.978 4.818 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.249 2.986 6.256 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.927 1.454 5.658 1.00 0.00 H new ATOM 1501 N THR A 99 -10.320 3.421 9.667 1.00 0.00 N ATOM 1502 CA THR A 99 -11.431 3.768 10.544 1.00 0.00 C ATOM 1503 C THR A 99 -11.665 5.274 10.565 1.00 0.00 C ATOM 1504 O THR A 99 -10.883 6.040 10.002 1.00 0.00 O ATOM 1505 CB THR A 99 -11.185 3.278 11.984 1.00 0.00 C ATOM 1506 OG1 THR A 99 -9.876 3.666 12.416 1.00 0.00 O ATOM 1507 CG2 THR A 99 -11.326 1.766 12.073 1.00 0.00 C ATOM 0 H THR A 99 -9.553 4.093 9.673 1.00 0.00 H new ATOM 0 HA THR A 99 -12.315 3.271 10.145 1.00 0.00 H new ATOM 0 HB THR A 99 -11.932 3.735 12.633 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.728 3.353 13.333 1.00 0.00 H new ATOM 0 HG21 THR A 99 -11.148 1.444 13.099 1.00 0.00 H new ATOM 0 HG22 THR A 99 -12.332 1.476 11.771 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.599 1.293 11.413 1.00 0.00 H new ATOM 1515 N GLU A 100 -12.745 5.692 11.218 1.00 0.00 N ATOM 1516 CA GLU A 100 -13.081 7.108 11.310 1.00 0.00 C ATOM 1517 C GLU A 100 -12.186 7.813 12.326 1.00 0.00 C ATOM 1518 O GLU A 100 -11.919 7.305 13.415 1.00 0.00 O ATOM 1519 CB GLU A 100 -14.550 7.282 11.701 1.00 0.00 C ATOM 1520 CG GLU A 100 -15.522 6.709 10.683 1.00 0.00 C ATOM 1521 CD GLU A 100 -16.947 6.661 11.200 1.00 0.00 C ATOM 1522 OE1 GLU A 100 -17.578 7.734 11.302 1.00 0.00 O ATOM 1523 OE2 GLU A 100 -17.430 5.550 11.503 1.00 0.00 O ATOM 0 H GLU A 100 -13.402 5.071 11.691 1.00 0.00 H new ATOM 0 HA GLU A 100 -12.917 7.559 10.331 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -14.720 6.801 12.664 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -14.759 8.344 11.833 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -15.489 7.312 9.775 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -15.205 5.703 10.409 1.00 0.00 H new ATOM 1530 N PRO A 101 -11.711 9.014 11.962 1.00 0.00 N ATOM 1531 CA PRO A 101 -10.840 9.815 12.826 1.00 0.00 C ATOM 1532 C PRO A 101 -11.577 10.367 14.042 1.00 0.00 C ATOM 1533 O PRO A 101 -12.807 10.392 14.093 1.00 0.00 O ATOM 1534 CB PRO A 101 -10.387 10.957 11.912 1.00 0.00 C ATOM 1535 CG PRO A 101 -11.465 11.075 10.890 1.00 0.00 C ATOM 1536 CD PRO A 101 -11.989 9.681 10.679 1.00 0.00 C ATOM 0 HA PRO A 101 -10.019 9.226 13.235 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.266 11.886 12.469 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.425 10.736 11.449 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -12.256 11.742 11.232 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.078 11.491 9.960 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -13.055 9.683 10.450 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.485 9.184 9.850 1.00 0.00 H new ATOM 1544 N PRO A 102 -10.811 10.819 15.045 1.00 0.00 N ATOM 1545 CA PRO A 102 -11.370 11.379 16.278 1.00 0.00 C ATOM 1546 C PRO A 102 -12.040 12.730 16.050 1.00 0.00 C ATOM 1547 O PRO A 102 -11.945 13.306 14.966 1.00 0.00 O ATOM 1548 CB PRO A 102 -10.147 11.535 17.184 1.00 0.00 C ATOM 1549 CG PRO A 102 -8.995 11.664 16.247 1.00 0.00 C ATOM 1550 CD PRO A 102 -9.338 10.819 15.052 1.00 0.00 C ATOM 0 HA PRO A 102 -12.149 10.743 16.697 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -10.237 12.413 17.823 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.028 10.673 17.841 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.841 12.704 15.959 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -8.071 11.323 16.714 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.932 11.240 14.132 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.937 9.810 15.145 1.00 0.00 H new