USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 595 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 24 LYS NZ :NH3+ -133:sc= 0.849 (180deg=-0.279) USER MOD Set 1.2: A 111 TYR OH : rot 165:sc= -0.683 USER MOD Set 2.1: A 20 TYR OH : rot -104:sc= -2.36 USER MOD Set 2.2: A 99 LYS NZ :NH3+ 154:sc= 0.306 (180deg=0.0954) USER MOD Single : A 18 THR OG1 : rot -90:sc= 0.00884 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.901 X(o=-0.9,f=-0.6) USER MOD Single : A 95 GLN : amide:sc= -5.05! C(o=-5.1!,f=-11!) USER MOD Single : A 97 THR OG1 : rot -150:sc= -0.855 USER MOD Single : A 102 TYR OH : rot 180:sc= -0.462 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl -148:sc= -0.436 (180deg=-1.98!) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 159 THR OG1 : rot 30:sc= 0.0948 USER MOD Single : A 163 TYR OH : rot 180:sc= -0.462 USER MOD Single : A 164 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.03) USER MOD Single : A 185 SER OG : rot 39:sc= -1.95 USER MOD Single : A 189 SER OG : rot -86:sc= 0.397 USER MOD Single : A 190 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 275 N THR A 18 12.270 -4.174 -11.450 1.00 0.00 N ATOM 276 CA THR A 18 12.302 -3.921 -10.015 1.00 0.00 C ATOM 277 C THR A 18 11.014 -4.398 -9.353 1.00 0.00 C ATOM 278 O THR A 18 9.972 -4.505 -10.003 1.00 0.00 O ATOM 279 CB THR A 18 12.507 -2.429 -9.743 1.00 0.00 C ATOM 280 OG1 THR A 18 12.320 -2.139 -8.370 1.00 0.00 O ATOM 281 CG2 THR A 18 11.568 -1.544 -10.533 1.00 0.00 C ATOM 0 HA THR A 18 13.137 -4.478 -9.590 1.00 0.00 H new ATOM 0 HB THR A 18 13.530 -2.216 -10.054 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.378 -1.923 -8.207 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.766 -0.499 -10.294 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.724 -1.708 -11.599 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.537 -1.786 -10.276 1.00 0.00 H new ATOM 289 N TRP A 19 11.089 -4.687 -8.058 1.00 0.00 N ATOM 290 CA TRP A 19 9.927 -5.156 -7.312 1.00 0.00 C ATOM 291 C TRP A 19 10.016 -4.744 -5.847 1.00 0.00 C ATOM 292 O TRP A 19 11.033 -4.964 -5.190 1.00 0.00 O ATOM 293 CB TRP A 19 9.807 -6.678 -7.420 1.00 0.00 C ATOM 294 CG TRP A 19 8.488 -7.207 -6.950 1.00 0.00 C ATOM 295 CD1 TRP A 19 7.903 -6.989 -5.735 1.00 0.00 C ATOM 296 CD2 TRP A 19 7.589 -8.045 -7.684 1.00 0.00 C ATOM 297 NE1 TRP A 19 6.695 -7.640 -5.670 1.00 0.00 N ATOM 298 CE2 TRP A 19 6.479 -8.295 -6.854 1.00 0.00 C ATOM 299 CE3 TRP A 19 7.614 -8.609 -8.962 1.00 0.00 C ATOM 300 CZ2 TRP A 19 5.407 -9.083 -7.263 1.00 0.00 C ATOM 301 CZ3 TRP A 19 6.547 -9.390 -9.367 1.00 0.00 C ATOM 302 CH2 TRP A 19 5.457 -9.621 -8.519 1.00 0.00 C ATOM 0 H TRP A 19 11.941 -4.605 -7.504 1.00 0.00 H new ATOM 0 HA TRP A 19 9.039 -4.696 -7.745 1.00 0.00 H new ATOM 0 HB2 TRP A 19 9.959 -6.974 -8.458 1.00 0.00 H new ATOM 0 HB3 TRP A 19 10.604 -7.140 -6.837 1.00 0.00 H new ATOM 0 HD1 TRP A 19 8.328 -6.392 -4.942 1.00 0.00 H new ATOM 0 HE1 TRP A 19 6.062 -7.636 -4.870 1.00 0.00 H new ATOM 0 HE3 TRP A 19 8.452 -8.438 -9.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 4.565 -9.263 -6.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 6.555 -9.829 -10.354 1.00 0.00 H new ATOM 0 HH2 TRP A 19 4.639 -10.236 -8.864 1.00 0.00 H new ATOM 313 N TYR A 20 8.941 -4.151 -5.338 1.00 0.00 N ATOM 314 CA TYR A 20 8.894 -3.710 -3.947 1.00 0.00 C ATOM 315 C TYR A 20 7.535 -4.019 -3.327 1.00 0.00 C ATOM 316 O TYR A 20 6.495 -3.801 -3.949 1.00 0.00 O ATOM 317 CB TYR A 20 9.189 -2.210 -3.843 1.00 0.00 C ATOM 318 CG TYR A 20 8.791 -1.419 -5.070 1.00 0.00 C ATOM 319 CD1 TYR A 20 9.612 -1.381 -6.191 1.00 0.00 C ATOM 320 CD2 TYR A 20 7.597 -0.710 -5.108 1.00 0.00 C ATOM 321 CE1 TYR A 20 9.254 -0.660 -7.313 1.00 0.00 C ATOM 322 CE2 TYR A 20 7.233 0.014 -6.228 1.00 0.00 C ATOM 323 CZ TYR A 20 8.064 0.035 -7.327 1.00 0.00 C ATOM 324 OH TYR A 20 7.705 0.754 -8.444 1.00 0.00 O ATOM 0 H TYR A 20 8.090 -3.964 -5.868 1.00 0.00 H new ATOM 0 HA TYR A 20 9.660 -4.256 -3.397 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.665 -1.806 -2.977 1.00 0.00 H new ATOM 0 HB3 TYR A 20 10.255 -2.071 -3.664 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.545 -1.924 -6.184 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.943 -0.725 -4.249 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.904 -0.641 -8.176 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.302 0.561 -6.242 1.00 0.00 H new ATOM 0 HH TYR A 20 7.847 1.709 -8.278 1.00 0.00 H new ATOM 334 N ALA A 21 7.552 -4.529 -2.100 1.00 0.00 N ATOM 335 CA ALA A 21 6.318 -4.870 -1.401 1.00 0.00 C ATOM 336 C ALA A 21 6.381 -4.463 0.068 1.00 0.00 C ATOM 337 O ALA A 21 7.429 -4.559 0.705 1.00 0.00 O ATOM 338 CB ALA A 21 6.037 -6.361 -1.523 1.00 0.00 C ATOM 0 H ALA A 21 8.404 -4.715 -1.570 1.00 0.00 H new ATOM 0 HA ALA A 21 5.504 -4.315 -1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.113 -6.601 -0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.935 -6.627 -2.575 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.861 -6.924 -1.085 1.00 0.00 H new ATOM 344 N GLY A 22 5.250 -4.005 0.599 1.00 0.00 N ATOM 345 CA GLY A 22 5.197 -3.589 1.988 1.00 0.00 C ATOM 346 C GLY A 22 3.777 -3.399 2.484 1.00 0.00 C ATOM 347 O GLY A 22 2.834 -3.956 1.918 1.00 0.00 O ATOM 0 H GLY A 22 4.370 -3.915 0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.698 -4.334 2.606 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.747 -2.655 2.105 1.00 0.00 H new ATOM 351 N GLY A 23 3.622 -2.610 3.544 1.00 0.00 N ATOM 352 CA GLY A 23 2.304 -2.361 4.097 1.00 0.00 C ATOM 353 C GLY A 23 2.165 -0.962 4.664 1.00 0.00 C ATOM 354 O GLY A 23 3.127 -0.402 5.198 1.00 0.00 O ATOM 0 H GLY A 23 4.386 -2.139 4.029 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.554 -2.511 3.320 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.100 -3.089 4.882 1.00 0.00 H new ATOM 358 N LYS A 24 0.967 -0.392 4.542 1.00 0.00 N ATOM 359 CA LYS A 24 0.707 0.954 5.043 1.00 0.00 C ATOM 360 C LYS A 24 -0.415 0.948 6.079 1.00 0.00 C ATOM 361 O LYS A 24 -1.261 0.053 6.091 1.00 0.00 O ATOM 362 CB LYS A 24 0.342 1.886 3.887 1.00 0.00 C ATOM 363 CG LYS A 24 0.956 3.272 4.005 1.00 0.00 C ATOM 364 CD LYS A 24 2.249 3.379 3.213 1.00 0.00 C ATOM 365 CE LYS A 24 2.024 4.038 1.861 1.00 0.00 C ATOM 366 NZ LYS A 24 2.088 3.053 0.745 1.00 0.00 N ATOM 0 H LYS A 24 0.164 -0.841 4.102 1.00 0.00 H new ATOM 0 HA LYS A 24 1.616 1.316 5.524 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.666 1.433 2.950 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.743 1.981 3.837 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.246 4.017 3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.151 3.496 5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.979 3.955 3.782 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.671 2.385 3.068 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.052 4.531 1.855 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.775 4.812 1.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.690 3.429 -0.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.488 2.159 1.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.130 2.883 0.377 1.00 0.00 H new ATOM 380 N LEU A 25 -0.417 1.959 6.943 1.00 0.00 N ATOM 381 CA LEU A 25 -1.434 2.085 7.984 1.00 0.00 C ATOM 382 C LEU A 25 -1.937 3.522 8.072 1.00 0.00 C ATOM 383 O LEU A 25 -1.155 4.469 7.988 1.00 0.00 O ATOM 384 CB LEU A 25 -0.871 1.644 9.339 1.00 0.00 C ATOM 385 CG LEU A 25 -1.885 0.990 10.283 1.00 0.00 C ATOM 386 CD1 LEU A 25 -1.216 -0.087 11.123 1.00 0.00 C ATOM 387 CD2 LEU A 25 -2.537 2.037 11.178 1.00 0.00 C ATOM 0 H LEU A 25 0.277 2.706 6.943 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.271 1.437 7.722 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.055 0.942 9.165 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.443 2.514 9.837 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.662 0.522 9.679 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.952 -0.540 11.787 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.799 -0.852 10.468 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.417 0.358 11.716 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.254 1.553 11.841 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.771 2.535 11.773 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.053 2.773 10.561 1.00 0.00 H new ATOM 399 N GLY A 26 -3.246 3.677 8.242 1.00 0.00 N ATOM 400 CA GLY A 26 -3.829 5.002 8.336 1.00 0.00 C ATOM 401 C GLY A 26 -4.777 5.138 9.512 1.00 0.00 C ATOM 402 O GLY A 26 -5.342 4.149 9.981 1.00 0.00 O ATOM 0 H GLY A 26 -3.913 2.909 8.316 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.032 5.740 8.429 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.365 5.226 7.414 1.00 0.00 H new ATOM 799 N GLY A 53 -6.658 1.480 10.102 1.00 0.00 N ATOM 800 CA GLY A 53 -6.740 0.756 8.847 1.00 0.00 C ATOM 801 C GLY A 53 -5.374 0.377 8.309 1.00 0.00 C ATOM 802 O GLY A 53 -4.415 1.135 8.443 1.00 0.00 O ATOM 0 HA2 GLY A 53 -7.335 -0.146 8.989 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.261 1.368 8.111 1.00 0.00 H new ATOM 806 N ALA A 54 -5.285 -0.800 7.697 1.00 0.00 N ATOM 807 CA ALA A 54 -4.026 -1.276 7.139 1.00 0.00 C ATOM 808 C ALA A 54 -4.218 -1.809 5.724 1.00 0.00 C ATOM 809 O ALA A 54 -5.319 -2.205 5.343 1.00 0.00 O ATOM 810 CB ALA A 54 -3.422 -2.348 8.034 1.00 0.00 C ATOM 0 H ALA A 54 -6.070 -1.440 7.576 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.338 -0.432 7.089 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.482 -2.694 7.604 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.237 -1.933 9.025 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.114 -3.186 8.115 1.00 0.00 H new ATOM 816 N GLY A 55 -3.138 -1.820 4.949 1.00 0.00 N ATOM 817 CA GLY A 55 -3.213 -2.309 3.586 1.00 0.00 C ATOM 818 C GLY A 55 -1.862 -2.728 3.047 1.00 0.00 C ATOM 819 O GLY A 55 -0.825 -2.240 3.500 1.00 0.00 O ATOM 0 H GLY A 55 -2.215 -1.500 5.240 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.896 -3.157 3.544 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.631 -1.531 2.947 1.00 0.00 H new ATOM 823 N ALA A 56 -1.870 -3.634 2.075 1.00 0.00 N ATOM 824 CA ALA A 56 -0.634 -4.117 1.472 1.00 0.00 C ATOM 825 C ALA A 56 -0.309 -3.342 0.200 1.00 0.00 C ATOM 826 O ALA A 56 -1.128 -3.264 -0.716 1.00 0.00 O ATOM 827 CB ALA A 56 -0.732 -5.605 1.178 1.00 0.00 C ATOM 0 H ALA A 56 -2.718 -4.048 1.688 1.00 0.00 H new ATOM 0 HA ALA A 56 0.176 -3.956 2.183 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.199 -5.949 0.728 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.909 -6.148 2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.557 -5.786 0.489 1.00 0.00 H new ATOM 833 N PHE A 57 0.888 -2.767 0.154 1.00 0.00 N ATOM 834 CA PHE A 57 1.318 -1.995 -1.006 1.00 0.00 C ATOM 835 C PHE A 57 2.445 -2.704 -1.748 1.00 0.00 C ATOM 836 O PHE A 57 3.518 -2.937 -1.193 1.00 0.00 O ATOM 837 CB PHE A 57 1.775 -0.600 -0.574 1.00 0.00 C ATOM 838 CG PHE A 57 0.644 0.367 -0.374 1.00 0.00 C ATOM 839 CD1 PHE A 57 -0.255 0.195 0.668 1.00 0.00 C ATOM 840 CD2 PHE A 57 0.478 1.447 -1.226 1.00 0.00 C ATOM 841 CE1 PHE A 57 -1.296 1.084 0.855 1.00 0.00 C ATOM 842 CE2 PHE A 57 -0.562 2.338 -1.043 1.00 0.00 C ATOM 843 CZ PHE A 57 -1.451 2.157 -0.001 1.00 0.00 C ATOM 0 H PHE A 57 1.576 -2.821 0.905 1.00 0.00 H new ATOM 0 HA PHE A 57 0.468 -1.900 -1.682 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.340 -0.683 0.355 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.455 -0.200 -1.326 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.140 -0.642 1.340 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.169 1.594 -2.042 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.989 0.940 1.671 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.680 3.176 -1.714 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.265 2.852 0.144 1.00 0.00 H new ATOM 853 N GLY A 58 2.193 -3.040 -3.009 1.00 0.00 N ATOM 854 CA GLY A 58 3.194 -3.714 -3.812 1.00 0.00 C ATOM 855 C GLY A 58 3.227 -3.194 -5.234 1.00 0.00 C ATOM 856 O GLY A 58 2.208 -3.181 -5.920 1.00 0.00 O ATOM 0 H GLY A 58 1.312 -2.857 -3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.175 -3.581 -3.355 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.989 -4.785 -3.822 1.00 0.00 H new ATOM 860 N GLY A 59 4.401 -2.758 -5.677 1.00 0.00 N ATOM 861 CA GLY A 59 4.532 -2.234 -7.024 1.00 0.00 C ATOM 862 C GLY A 59 5.797 -2.702 -7.715 1.00 0.00 C ATOM 863 O GLY A 59 6.710 -3.221 -7.071 1.00 0.00 O ATOM 0 H GLY A 59 5.262 -2.758 -5.130 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.667 -2.539 -7.613 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.525 -1.145 -6.988 1.00 0.00 H new ATOM 867 N TYR A 60 5.847 -2.516 -9.030 1.00 0.00 N ATOM 868 CA TYR A 60 7.007 -2.920 -9.814 1.00 0.00 C ATOM 869 C TYR A 60 7.125 -2.086 -11.084 1.00 0.00 C ATOM 870 O TYR A 60 6.137 -1.862 -11.786 1.00 0.00 O ATOM 871 CB TYR A 60 6.916 -4.405 -10.173 1.00 0.00 C ATOM 872 CG TYR A 60 5.548 -4.827 -10.663 1.00 0.00 C ATOM 873 CD1 TYR A 60 4.498 -5.017 -9.774 1.00 0.00 C ATOM 874 CD2 TYR A 60 5.309 -5.034 -12.015 1.00 0.00 C ATOM 875 CE1 TYR A 60 3.249 -5.404 -10.217 1.00 0.00 C ATOM 876 CE2 TYR A 60 4.061 -5.420 -12.468 1.00 0.00 C ATOM 877 CZ TYR A 60 3.034 -5.603 -11.565 1.00 0.00 C ATOM 878 OH TYR A 60 1.790 -5.987 -12.011 1.00 0.00 O ATOM 0 H TYR A 60 5.098 -2.088 -9.574 1.00 0.00 H new ATOM 0 HA TYR A 60 7.897 -2.753 -9.208 1.00 0.00 H new ATOM 0 HB2 TYR A 60 7.654 -4.630 -10.943 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.178 -4.999 -9.297 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.661 -4.859 -8.718 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.111 -4.891 -12.724 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.444 -5.550 -9.512 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.891 -5.577 -13.523 1.00 0.00 H new ATOM 0 HH TYR A 60 1.807 -6.083 -12.986 1.00 0.00 H new ATOM 888 N GLN A 61 8.338 -1.627 -11.374 1.00 0.00 N ATOM 889 CA GLN A 61 8.588 -0.817 -12.560 1.00 0.00 C ATOM 890 C GLN A 61 9.261 -1.647 -13.648 1.00 0.00 C ATOM 891 O GLN A 61 10.171 -2.429 -13.371 1.00 0.00 O ATOM 892 CB GLN A 61 9.460 0.390 -12.208 1.00 0.00 C ATOM 893 CG GLN A 61 9.047 1.086 -10.921 1.00 0.00 C ATOM 894 CD GLN A 61 9.783 2.392 -10.701 1.00 0.00 C ATOM 895 OE1 GLN A 61 9.175 3.415 -10.386 1.00 0.00 O ATOM 896 NE2 GLN A 61 11.100 2.364 -10.868 1.00 0.00 N ATOM 0 H GLN A 61 9.164 -1.803 -10.803 1.00 0.00 H new ATOM 0 HA GLN A 61 7.629 -0.462 -12.937 1.00 0.00 H new ATOM 0 HB2 GLN A 61 10.497 0.065 -12.119 1.00 0.00 H new ATOM 0 HB3 GLN A 61 9.421 1.107 -13.028 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.974 1.278 -10.944 1.00 0.00 H new ATOM 0 HG3 GLN A 61 9.234 0.422 -10.077 1.00 0.00 H new ATOM 0 HE21 GLN A 61 11.563 1.493 -11.129 1.00 0.00 H new ATOM 0 HE22 GLN A 61 11.649 3.213 -10.735 1.00 0.00 H new ATOM 970 N LEU A 66 6.766 4.502 -15.796 1.00 0.00 N ATOM 971 CA LEU A 66 5.724 4.205 -14.819 1.00 0.00 C ATOM 972 C LEU A 66 5.673 2.711 -14.513 1.00 0.00 C ATOM 973 O LEU A 66 5.976 1.881 -15.369 1.00 0.00 O ATOM 974 CB LEU A 66 4.363 4.677 -15.336 1.00 0.00 C ATOM 975 CG LEU A 66 3.969 4.129 -16.710 1.00 0.00 C ATOM 976 CD1 LEU A 66 2.560 3.557 -16.674 1.00 0.00 C ATOM 977 CD2 LEU A 66 4.076 5.216 -17.769 1.00 0.00 C ATOM 0 HA LEU A 66 5.962 4.738 -13.898 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.598 4.391 -14.614 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.366 5.766 -15.383 1.00 0.00 H new ATOM 0 HG LEU A 66 4.659 3.326 -16.970 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.298 3.172 -17.660 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.514 2.748 -15.945 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.856 4.340 -16.391 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.792 4.808 -18.739 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.410 6.040 -17.513 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.103 5.580 -17.815 1.00 0.00 H new ATOM 989 N GLY A 67 5.286 2.379 -13.286 1.00 0.00 N ATOM 990 CA GLY A 67 5.197 0.987 -12.885 1.00 0.00 C ATOM 991 C GLY A 67 3.818 0.620 -12.376 1.00 0.00 C ATOM 992 O GLY A 67 2.978 1.493 -12.159 1.00 0.00 O ATOM 0 H GLY A 67 5.032 3.050 -12.561 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.450 0.351 -13.733 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.934 0.788 -12.107 1.00 0.00 H new ATOM 996 N PHE A 68 3.585 -0.674 -12.185 1.00 0.00 N ATOM 997 CA PHE A 68 2.295 -1.151 -11.697 1.00 0.00 C ATOM 998 C PHE A 68 2.228 -1.074 -10.175 1.00 0.00 C ATOM 999 O PHE A 68 3.168 -1.471 -9.483 1.00 0.00 O ATOM 1000 CB PHE A 68 2.054 -2.590 -12.158 1.00 0.00 C ATOM 1001 CG PHE A 68 1.623 -2.696 -13.593 1.00 0.00 C ATOM 1002 CD1 PHE A 68 0.295 -2.522 -13.947 1.00 0.00 C ATOM 1003 CD2 PHE A 68 2.547 -2.970 -14.590 1.00 0.00 C ATOM 1004 CE1 PHE A 68 -0.104 -2.621 -15.266 1.00 0.00 C ATOM 1005 CE2 PHE A 68 2.154 -3.069 -15.910 1.00 0.00 C ATOM 1006 CZ PHE A 68 0.826 -2.894 -16.249 1.00 0.00 C ATOM 0 H PHE A 68 4.270 -1.410 -12.360 1.00 0.00 H new ATOM 0 HA PHE A 68 1.517 -0.509 -12.110 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.969 -3.166 -12.018 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.292 -3.043 -11.524 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.437 -2.306 -13.183 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.586 -3.108 -14.331 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.143 -2.485 -15.528 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.884 -3.283 -16.677 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.516 -2.971 -17.281 1.00 0.00 H new ATOM 1016 N GLU A 69 1.113 -0.563 -9.660 1.00 0.00 N ATOM 1017 CA GLU A 69 0.925 -0.436 -8.221 1.00 0.00 C ATOM 1018 C GLU A 69 -0.271 -1.260 -7.758 1.00 0.00 C ATOM 1019 O GLU A 69 -1.418 -0.951 -8.084 1.00 0.00 O ATOM 1020 CB GLU A 69 0.727 1.032 -7.837 1.00 0.00 C ATOM 1021 CG GLU A 69 1.296 1.385 -6.473 1.00 0.00 C ATOM 1022 CD GLU A 69 0.368 1.003 -5.337 1.00 0.00 C ATOM 1023 OE1 GLU A 69 0.001 -0.188 -5.244 1.00 0.00 O ATOM 1024 OE2 GLU A 69 0.007 1.895 -4.540 1.00 0.00 O ATOM 0 H GLU A 69 0.327 -0.231 -10.219 1.00 0.00 H new ATOM 0 HA GLU A 69 1.820 -0.814 -7.727 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.196 1.663 -8.592 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.339 1.261 -7.848 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.253 0.880 -6.341 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.493 2.456 -6.432 1.00 0.00 H new ATOM 1031 N MET A 70 0.006 -2.312 -6.995 1.00 0.00 N ATOM 1032 CA MET A 70 -1.043 -3.184 -6.482 1.00 0.00 C ATOM 1033 C MET A 70 -1.288 -2.913 -5.003 1.00 0.00 C ATOM 1034 O MET A 70 -0.393 -3.088 -4.174 1.00 0.00 O ATOM 1035 CB MET A 70 -0.666 -4.652 -6.693 1.00 0.00 C ATOM 1036 CG MET A 70 -1.293 -5.269 -7.933 1.00 0.00 C ATOM 1037 SD MET A 70 -1.147 -7.067 -7.964 1.00 0.00 S ATOM 1038 CE MET A 70 -2.862 -7.549 -7.780 1.00 0.00 C ATOM 0 H MET A 70 0.950 -2.581 -6.718 1.00 0.00 H new ATOM 0 HA MET A 70 -1.961 -2.975 -7.031 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.419 -4.733 -6.766 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.971 -5.226 -5.818 1.00 0.00 H new ATOM 0 HG2 MET A 70 -2.347 -4.993 -7.978 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.816 -4.854 -8.821 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.936 -8.636 -7.781 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.250 -7.159 -6.839 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.444 -7.145 -8.608 1.00 0.00 H new ATOM 1048 N GLY A 71 -2.501 -2.484 -4.676 1.00 0.00 N ATOM 1049 CA GLY A 71 -2.834 -2.193 -3.296 1.00 0.00 C ATOM 1050 C GLY A 71 -3.805 -3.196 -2.708 1.00 0.00 C ATOM 1051 O GLY A 71 -4.602 -3.795 -3.431 1.00 0.00 O ATOM 0 H GLY A 71 -3.259 -2.333 -5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.921 -2.184 -2.700 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.266 -1.194 -3.233 1.00 0.00 H new ATOM 1055 N TYR A 72 -3.740 -3.379 -1.394 1.00 0.00 N ATOM 1056 CA TYR A 72 -4.624 -4.316 -0.712 1.00 0.00 C ATOM 1057 C TYR A 72 -5.275 -3.655 0.497 1.00 0.00 C ATOM 1058 O TYR A 72 -4.598 -3.290 1.457 1.00 0.00 O ATOM 1059 CB TYR A 72 -3.846 -5.557 -0.273 1.00 0.00 C ATOM 1060 CG TYR A 72 -3.885 -6.683 -1.281 1.00 0.00 C ATOM 1061 CD1 TYR A 72 -3.330 -6.529 -2.545 1.00 0.00 C ATOM 1062 CD2 TYR A 72 -4.478 -7.901 -0.969 1.00 0.00 C ATOM 1063 CE1 TYR A 72 -3.364 -7.554 -3.470 1.00 0.00 C ATOM 1064 CE2 TYR A 72 -4.515 -8.932 -1.888 1.00 0.00 C ATOM 1065 CZ TYR A 72 -3.957 -8.753 -3.138 1.00 0.00 C ATOM 1066 OH TYR A 72 -3.991 -9.777 -4.055 1.00 0.00 O ATOM 0 H TYR A 72 -3.086 -2.892 -0.781 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.406 -4.617 -1.409 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -2.808 -5.279 -0.091 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.251 -5.914 0.674 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -2.864 -5.591 -2.809 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.917 -8.044 0.007 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.928 -7.417 -4.449 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -4.978 -9.873 -1.630 1.00 0.00 H new ATOM 0 HH TYR A 72 -4.443 -10.553 -3.662 1.00 0.00 H new ATOM 1076 N ASP A 73 -6.595 -3.505 0.442 1.00 0.00 N ATOM 1077 CA ASP A 73 -7.339 -2.885 1.532 1.00 0.00 C ATOM 1078 C ASP A 73 -7.611 -3.888 2.649 1.00 0.00 C ATOM 1079 O ASP A 73 -8.211 -4.939 2.422 1.00 0.00 O ATOM 1080 CB ASP A 73 -8.658 -2.307 1.012 1.00 0.00 C ATOM 1081 CG ASP A 73 -8.800 -0.827 1.311 1.00 0.00 C ATOM 1082 OD1 ASP A 73 -8.020 -0.030 0.747 1.00 0.00 O ATOM 1083 OD2 ASP A 73 -9.689 -0.466 2.110 1.00 0.00 O ATOM 0 H ASP A 73 -7.170 -3.804 -0.345 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.732 -2.076 1.939 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.721 -2.465 -0.065 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.491 -2.847 1.463 1.00 0.00 H new ATOM 1088 N TRP A 74 -7.166 -3.550 3.856 1.00 0.00 N ATOM 1089 CA TRP A 74 -7.359 -4.414 5.015 1.00 0.00 C ATOM 1090 C TRP A 74 -7.925 -3.625 6.193 1.00 0.00 C ATOM 1091 O TRP A 74 -7.230 -2.806 6.796 1.00 0.00 O ATOM 1092 CB TRP A 74 -6.035 -5.072 5.413 1.00 0.00 C ATOM 1093 CG TRP A 74 -6.161 -6.537 5.694 1.00 0.00 C ATOM 1094 CD1 TRP A 74 -5.525 -7.556 5.043 1.00 0.00 C ATOM 1095 CD2 TRP A 74 -6.976 -7.151 6.700 1.00 0.00 C ATOM 1096 NE1 TRP A 74 -5.894 -8.763 5.582 1.00 0.00 N ATOM 1097 CE2 TRP A 74 -6.783 -8.542 6.601 1.00 0.00 C ATOM 1098 CE3 TRP A 74 -7.848 -6.660 7.675 1.00 0.00 C ATOM 1099 CZ2 TRP A 74 -7.432 -9.446 7.440 1.00 0.00 C ATOM 1100 CZ3 TRP A 74 -8.491 -7.556 8.507 1.00 0.00 C ATOM 1101 CH2 TRP A 74 -8.280 -8.936 8.385 1.00 0.00 C ATOM 0 H TRP A 74 -6.669 -2.682 4.056 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.075 -5.190 4.744 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.309 -4.924 4.613 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -5.641 -4.572 6.298 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -4.833 -7.430 4.224 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -5.561 -9.676 5.274 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -8.017 -5.598 7.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -7.271 -10.510 7.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -9.167 -7.187 9.264 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -8.797 -9.611 9.051 1.00 0.00 H new ATOM 1361 N GLN A 92 -11.688 -8.828 1.480 1.00 0.00 N ATOM 1362 CA GLN A 92 -10.383 -8.224 1.232 1.00 0.00 C ATOM 1363 C GLN A 92 -10.456 -7.240 0.069 1.00 0.00 C ATOM 1364 O GLN A 92 -11.153 -7.480 -0.917 1.00 0.00 O ATOM 1365 CB GLN A 92 -9.343 -9.305 0.937 1.00 0.00 C ATOM 1366 CG GLN A 92 -7.985 -9.032 1.563 1.00 0.00 C ATOM 1367 CD GLN A 92 -8.066 -8.832 3.062 1.00 0.00 C ATOM 1368 OE1 GLN A 92 -8.105 -9.796 3.828 1.00 0.00 O ATOM 1369 NE2 GLN A 92 -8.090 -7.575 3.492 1.00 0.00 N ATOM 0 HA GLN A 92 -10.084 -7.681 2.129 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -9.715 -10.263 1.300 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.224 -9.397 -0.143 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -7.315 -9.864 1.347 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -7.549 -8.144 1.104 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -8.056 -6.806 2.823 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -8.143 -7.379 4.492 1.00 0.00 H new ATOM 1378 N GLY A 93 -9.736 -6.129 0.191 1.00 0.00 N ATOM 1379 CA GLY A 93 -9.740 -5.128 -0.859 1.00 0.00 C ATOM 1380 C GLY A 93 -8.571 -5.275 -1.814 1.00 0.00 C ATOM 1381 O GLY A 93 -7.430 -5.446 -1.387 1.00 0.00 O ATOM 0 H GLY A 93 -9.151 -5.905 0.996 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.672 -5.199 -1.419 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.713 -4.136 -0.409 1.00 0.00 H new ATOM 1385 N VAL A 94 -8.857 -5.199 -3.109 1.00 0.00 N ATOM 1386 CA VAL A 94 -7.824 -5.314 -4.134 1.00 0.00 C ATOM 1387 C VAL A 94 -7.783 -4.054 -4.993 1.00 0.00 C ATOM 1388 O VAL A 94 -8.764 -3.710 -5.654 1.00 0.00 O ATOM 1389 CB VAL A 94 -8.039 -6.547 -5.044 1.00 0.00 C ATOM 1390 CG1 VAL A 94 -7.135 -7.691 -4.613 1.00 0.00 C ATOM 1391 CG2 VAL A 94 -9.498 -6.988 -5.039 1.00 0.00 C ATOM 0 H VAL A 94 -9.798 -5.058 -3.475 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.874 -5.439 -3.614 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.778 -6.262 -6.063 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.300 -8.550 -5.264 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -6.093 -7.378 -4.682 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -7.363 -7.967 -3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.618 -7.856 -5.687 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.796 -7.250 -4.024 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.125 -6.174 -5.403 1.00 0.00 H new ATOM 1401 N GLN A 95 -6.650 -3.358 -4.966 1.00 0.00 N ATOM 1402 CA GLN A 95 -6.495 -2.124 -5.730 1.00 0.00 C ATOM 1403 C GLN A 95 -5.546 -2.306 -6.912 1.00 0.00 C ATOM 1404 O GLN A 95 -4.495 -2.936 -6.792 1.00 0.00 O ATOM 1405 CB GLN A 95 -5.981 -1.006 -4.823 1.00 0.00 C ATOM 1406 CG GLN A 95 -6.502 0.372 -5.199 1.00 0.00 C ATOM 1407 CD GLN A 95 -6.499 1.336 -4.028 1.00 0.00 C ATOM 1408 OE1 GLN A 95 -7.438 2.112 -3.845 1.00 0.00 O ATOM 1409 NE2 GLN A 95 -5.442 1.292 -3.226 1.00 0.00 N ATOM 0 H GLN A 95 -5.828 -3.626 -4.425 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.475 -1.856 -6.124 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -6.266 -1.225 -3.794 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.892 -0.995 -4.856 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.890 0.781 -6.003 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -7.517 0.280 -5.586 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -4.686 0.634 -3.414 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -5.386 1.917 -2.422 1.00 0.00 H new ATOM 1418 N LEU A 96 -5.929 -1.733 -8.048 1.00 0.00 N ATOM 1419 CA LEU A 96 -5.129 -1.802 -9.265 1.00 0.00 C ATOM 1420 C LEU A 96 -4.883 -0.393 -9.797 1.00 0.00 C ATOM 1421 O LEU A 96 -5.817 0.279 -10.238 1.00 0.00 O ATOM 1422 CB LEU A 96 -5.852 -2.656 -10.316 1.00 0.00 C ATOM 1423 CG LEU A 96 -5.270 -2.600 -11.733 1.00 0.00 C ATOM 1424 CD1 LEU A 96 -5.202 -3.996 -12.337 1.00 0.00 C ATOM 1425 CD2 LEU A 96 -6.102 -1.680 -12.617 1.00 0.00 C ATOM 0 H LEU A 96 -6.799 -1.210 -8.151 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.168 -2.266 -9.043 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.846 -3.693 -9.981 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.895 -2.341 -10.359 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.258 -2.199 -11.673 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.786 -3.937 -13.343 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.567 -4.630 -11.718 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.204 -4.422 -12.383 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.674 -1.653 -13.619 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.125 -2.053 -12.670 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.104 -0.675 -12.196 1.00 0.00 H new ATOM 1437 N THR A 97 -3.634 0.064 -9.731 1.00 0.00 N ATOM 1438 CA THR A 97 -3.305 1.410 -10.188 1.00 0.00 C ATOM 1439 C THR A 97 -1.883 1.492 -10.729 1.00 0.00 C ATOM 1440 O THR A 97 -1.067 0.595 -10.511 1.00 0.00 O ATOM 1441 CB THR A 97 -3.473 2.406 -9.035 1.00 0.00 C ATOM 1442 OG1 THR A 97 -2.324 2.407 -8.205 1.00 0.00 O ATOM 1443 CG2 THR A 97 -4.673 2.120 -8.156 1.00 0.00 C ATOM 0 H THR A 97 -2.844 -0.470 -9.370 1.00 0.00 H new ATOM 0 HA THR A 97 -3.988 1.660 -10.999 1.00 0.00 H new ATOM 0 HB THR A 97 -3.621 3.374 -9.513 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.584 2.631 -7.287 1.00 0.00 H new ATOM 0 HG21 THR A 97 -4.728 2.865 -7.362 1.00 0.00 H new ATOM 0 HG22 THR A 97 -5.582 2.161 -8.756 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.574 1.128 -7.716 1.00 0.00 H new ATOM 1451 N ALA A 98 -1.591 2.589 -11.421 1.00 0.00 N ATOM 1452 CA ALA A 98 -0.265 2.816 -11.984 1.00 0.00 C ATOM 1453 C ALA A 98 0.487 3.848 -11.153 1.00 0.00 C ATOM 1454 O ALA A 98 -0.029 4.932 -10.886 1.00 0.00 O ATOM 1455 CB ALA A 98 -0.373 3.270 -13.433 1.00 0.00 C ATOM 0 H ALA A 98 -2.259 3.338 -11.606 1.00 0.00 H new ATOM 0 HA ALA A 98 0.291 1.879 -11.961 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.625 3.435 -13.838 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.880 2.502 -14.018 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.942 4.198 -13.482 1.00 0.00 H new ATOM 1461 N LYS A 99 1.699 3.504 -10.733 1.00 0.00 N ATOM 1462 CA LYS A 99 2.502 4.408 -9.914 1.00 0.00 C ATOM 1463 C LYS A 99 3.762 4.862 -10.643 1.00 0.00 C ATOM 1464 O LYS A 99 4.495 4.051 -11.208 1.00 0.00 O ATOM 1465 CB LYS A 99 2.879 3.731 -8.596 1.00 0.00 C ATOM 1466 CG LYS A 99 3.742 2.492 -8.774 1.00 0.00 C ATOM 1467 CD LYS A 99 5.156 2.719 -8.265 1.00 0.00 C ATOM 1468 CE LYS A 99 5.184 2.907 -6.757 1.00 0.00 C ATOM 1469 NZ LYS A 99 6.531 3.318 -6.272 1.00 0.00 N ATOM 0 H LYS A 99 2.146 2.612 -10.944 1.00 0.00 H new ATOM 0 HA LYS A 99 1.897 5.291 -9.710 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.410 4.447 -7.968 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.968 3.456 -8.065 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.292 1.655 -8.240 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.774 2.218 -9.829 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.782 1.870 -8.538 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.581 3.598 -8.750 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.450 3.661 -6.472 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.891 1.977 -6.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.433 3.846 -5.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.115 2.473 -6.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.987 3.923 -6.985 1.00 0.00 H new ATOM 1483 N LEU A 100 4.009 6.169 -10.614 1.00 0.00 N ATOM 1484 CA LEU A 100 5.182 6.747 -11.258 1.00 0.00 C ATOM 1485 C LEU A 100 5.918 7.667 -10.290 1.00 0.00 C ATOM 1486 O LEU A 100 5.309 8.531 -9.658 1.00 0.00 O ATOM 1487 CB LEU A 100 4.775 7.522 -12.513 1.00 0.00 C ATOM 1488 CG LEU A 100 3.894 8.749 -12.261 1.00 0.00 C ATOM 1489 CD1 LEU A 100 4.749 9.994 -12.083 1.00 0.00 C ATOM 1490 CD2 LEU A 100 2.906 8.937 -13.403 1.00 0.00 C ATOM 0 H LEU A 100 3.408 6.850 -10.149 1.00 0.00 H new ATOM 0 HA LEU A 100 5.850 5.937 -11.549 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.678 7.843 -13.032 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.245 6.845 -13.183 1.00 0.00 H new ATOM 0 HG LEU A 100 3.331 8.587 -11.342 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.105 10.855 -11.905 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.417 9.858 -11.232 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.339 10.162 -12.984 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.287 9.813 -13.208 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.451 9.078 -14.336 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.271 8.055 -13.483 1.00 0.00 H new ATOM 1502 N GLY A 101 7.229 7.475 -10.170 1.00 0.00 N ATOM 1503 CA GLY A 101 8.014 8.299 -9.267 1.00 0.00 C ATOM 1504 C GLY A 101 9.471 8.407 -9.677 1.00 0.00 C ATOM 1505 O GLY A 101 9.863 7.933 -10.743 1.00 0.00 O ATOM 0 H GLY A 101 7.759 6.768 -10.679 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.579 9.298 -9.225 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.955 7.883 -8.261 1.00 0.00 H new ATOM 1509 N TYR A 102 10.272 9.036 -8.821 1.00 0.00 N ATOM 1510 CA TYR A 102 11.696 9.214 -9.086 1.00 0.00 C ATOM 1511 C TYR A 102 12.436 9.651 -7.820 1.00 0.00 C ATOM 1512 O TYR A 102 11.869 10.332 -6.967 1.00 0.00 O ATOM 1513 CB TYR A 102 11.906 10.246 -10.196 1.00 0.00 C ATOM 1514 CG TYR A 102 11.115 11.521 -9.997 1.00 0.00 C ATOM 1515 CD1 TYR A 102 9.760 11.574 -10.301 1.00 0.00 C ATOM 1516 CD2 TYR A 102 11.724 12.671 -9.510 1.00 0.00 C ATOM 1517 CE1 TYR A 102 9.035 12.737 -10.124 1.00 0.00 C ATOM 1518 CE2 TYR A 102 11.005 13.837 -9.329 1.00 0.00 C ATOM 1519 CZ TYR A 102 9.661 13.865 -9.637 1.00 0.00 C ATOM 1520 OH TYR A 102 8.943 15.024 -9.460 1.00 0.00 O ATOM 0 H TYR A 102 9.957 9.432 -7.935 1.00 0.00 H new ATOM 0 HA TYR A 102 12.102 8.256 -9.410 1.00 0.00 H new ATOM 0 HB2 TYR A 102 12.966 10.492 -10.256 1.00 0.00 H new ATOM 0 HB3 TYR A 102 11.628 9.801 -11.151 1.00 0.00 H new ATOM 0 HD1 TYR A 102 9.266 10.692 -10.682 1.00 0.00 H new ATOM 0 HD2 TYR A 102 12.777 12.653 -9.269 1.00 0.00 H new ATOM 0 HE1 TYR A 102 7.983 12.762 -10.366 1.00 0.00 H new ATOM 0 HE2 TYR A 102 11.493 14.722 -8.948 1.00 0.00 H new ATOM 0 HH TYR A 102 9.533 15.724 -9.109 1.00 0.00 H new ATOM 1530 N PRO A 103 13.716 9.260 -7.684 1.00 0.00 N ATOM 1531 CA PRO A 103 14.531 9.608 -6.517 1.00 0.00 C ATOM 1532 C PRO A 103 15.115 11.015 -6.605 1.00 0.00 C ATOM 1533 O PRO A 103 15.039 11.667 -7.646 1.00 0.00 O ATOM 1534 CB PRO A 103 15.644 8.565 -6.562 1.00 0.00 C ATOM 1535 CG PRO A 103 15.824 8.277 -8.014 1.00 0.00 C ATOM 1536 CD PRO A 103 14.468 8.438 -8.653 1.00 0.00 C ATOM 0 HA PRO A 103 13.951 9.607 -5.594 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.563 8.945 -6.115 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.369 7.666 -6.010 1.00 0.00 H new ATOM 0 HG2 PRO A 103 16.546 8.962 -8.459 1.00 0.00 H new ATOM 0 HG3 PRO A 103 16.207 7.268 -8.165 1.00 0.00 H new ATOM 0 HD2 PRO A 103 14.539 8.929 -9.624 1.00 0.00 H new ATOM 0 HD3 PRO A 103 13.987 7.474 -8.818 1.00 0.00 H new ATOM 1601 N LEU A 108 15.966 9.095 -1.229 1.00 0.00 N ATOM 1602 CA LEU A 108 14.674 9.770 -1.145 1.00 0.00 C ATOM 1603 C LEU A 108 14.024 9.855 -2.521 1.00 0.00 C ATOM 1604 O LEU A 108 14.650 10.296 -3.484 1.00 0.00 O ATOM 1605 CB LEU A 108 14.832 11.177 -0.550 1.00 0.00 C ATOM 1606 CG LEU A 108 16.218 11.505 0.020 1.00 0.00 C ATOM 1607 CD1 LEU A 108 16.412 13.009 0.121 1.00 0.00 C ATOM 1608 CD2 LEU A 108 16.403 10.852 1.382 1.00 0.00 C ATOM 0 HA LEU A 108 14.030 9.185 -0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.595 11.908 -1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.094 11.301 0.243 1.00 0.00 H new ATOM 0 HG LEU A 108 16.971 11.106 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 108 17.401 13.222 0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 108 16.323 13.455 -0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 108 15.651 13.431 0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.392 11.096 1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 108 15.642 11.221 2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.308 9.771 1.283 1.00 0.00 H new ATOM 1620 N ASP A 109 12.768 9.426 -2.615 1.00 0.00 N ATOM 1621 CA ASP A 109 12.052 9.458 -3.886 1.00 0.00 C ATOM 1622 C ASP A 109 10.572 9.768 -3.689 1.00 0.00 C ATOM 1623 O ASP A 109 10.021 9.556 -2.611 1.00 0.00 O ATOM 1624 CB ASP A 109 12.210 8.120 -4.615 1.00 0.00 C ATOM 1625 CG ASP A 109 11.554 6.972 -3.873 1.00 0.00 C ATOM 1626 OD1 ASP A 109 10.309 6.969 -3.768 1.00 0.00 O ATOM 1627 OD2 ASP A 109 12.283 6.077 -3.398 1.00 0.00 O ATOM 0 H ASP A 109 12.229 9.055 -1.833 1.00 0.00 H new ATOM 0 HA ASP A 109 12.486 10.255 -4.490 1.00 0.00 H new ATOM 0 HB2 ASP A 109 11.775 8.200 -5.611 1.00 0.00 H new ATOM 0 HB3 ASP A 109 13.270 7.905 -4.746 1.00 0.00 H new ATOM 1632 N ILE A 110 9.933 10.263 -4.744 1.00 0.00 N ATOM 1633 CA ILE A 110 8.514 10.594 -4.702 1.00 0.00 C ATOM 1634 C ILE A 110 7.748 9.794 -5.752 1.00 0.00 C ATOM 1635 O ILE A 110 8.268 9.531 -6.835 1.00 0.00 O ATOM 1636 CB ILE A 110 8.280 12.102 -4.935 1.00 0.00 C ATOM 1637 CG1 ILE A 110 8.736 12.508 -6.340 1.00 0.00 C ATOM 1638 CG2 ILE A 110 9.010 12.919 -3.879 1.00 0.00 C ATOM 1639 CD1 ILE A 110 7.676 13.251 -7.124 1.00 0.00 C ATOM 0 H ILE A 110 10.379 10.444 -5.643 1.00 0.00 H new ATOM 0 HA ILE A 110 8.148 10.336 -3.708 1.00 0.00 H new ATOM 0 HB ILE A 110 7.212 12.303 -4.852 1.00 0.00 H new ATOM 0 HG12 ILE A 110 9.624 13.135 -6.259 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.026 11.614 -6.892 1.00 0.00 H new ATOM 0 HG21 ILE A 110 8.836 13.980 -4.056 1.00 0.00 H new ATOM 0 HG22 ILE A 110 8.639 12.650 -2.890 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.079 12.712 -3.934 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.065 13.508 -8.109 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.796 12.618 -7.236 1.00 0.00 H new ATOM 0 HD13 ILE A 110 7.402 14.163 -6.593 1.00 0.00 H new ATOM 1651 N TYR A 111 6.518 9.397 -5.431 1.00 0.00 N ATOM 1652 CA TYR A 111 5.716 8.618 -6.367 1.00 0.00 C ATOM 1653 C TYR A 111 4.227 8.914 -6.221 1.00 0.00 C ATOM 1654 O TYR A 111 3.740 9.221 -5.130 1.00 0.00 O ATOM 1655 CB TYR A 111 5.968 7.123 -6.159 1.00 0.00 C ATOM 1656 CG TYR A 111 5.567 6.625 -4.788 1.00 0.00 C ATOM 1657 CD1 TYR A 111 6.230 7.059 -3.648 1.00 0.00 C ATOM 1658 CD2 TYR A 111 4.524 5.719 -4.636 1.00 0.00 C ATOM 1659 CE1 TYR A 111 5.867 6.606 -2.395 1.00 0.00 C ATOM 1660 CE2 TYR A 111 4.154 5.262 -3.385 1.00 0.00 C ATOM 1661 CZ TYR A 111 4.829 5.708 -2.269 1.00 0.00 C ATOM 1662 OH TYR A 111 4.464 5.253 -1.021 1.00 0.00 O ATOM 0 H TYR A 111 6.061 9.599 -4.542 1.00 0.00 H new ATOM 0 HA TYR A 111 6.018 8.905 -7.374 1.00 0.00 H new ATOM 0 HB2 TYR A 111 5.418 6.562 -6.915 1.00 0.00 H new ATOM 0 HB3 TYR A 111 7.027 6.916 -6.316 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.044 7.763 -3.743 1.00 0.00 H new ATOM 0 HD2 TYR A 111 3.994 5.367 -5.509 1.00 0.00 H new ATOM 0 HE1 TYR A 111 6.394 6.954 -1.518 1.00 0.00 H new ATOM 0 HE2 TYR A 111 3.340 4.559 -3.283 1.00 0.00 H new ATOM 0 HH TYR A 111 3.584 4.826 -1.073 1.00 0.00 H new ATOM 1672 N THR A 112 3.510 8.804 -7.335 1.00 0.00 N ATOM 1673 CA THR A 112 2.071 9.041 -7.359 1.00 0.00 C ATOM 1674 C THR A 112 1.365 7.889 -8.064 1.00 0.00 C ATOM 1675 O THR A 112 1.793 7.449 -9.133 1.00 0.00 O ATOM 1676 CB THR A 112 1.759 10.360 -8.066 1.00 0.00 C ATOM 1677 OG1 THR A 112 2.442 10.442 -9.304 1.00 0.00 O ATOM 1678 CG2 THR A 112 2.136 11.578 -7.252 1.00 0.00 C ATOM 0 H THR A 112 3.906 8.550 -8.240 1.00 0.00 H new ATOM 0 HA THR A 112 1.710 9.104 -6.332 1.00 0.00 H new ATOM 0 HB THR A 112 0.679 10.360 -8.212 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.227 11.293 -9.740 1.00 0.00 H new ATOM 0 HG21 THR A 112 1.888 12.480 -7.811 1.00 0.00 H new ATOM 0 HG22 THR A 112 1.585 11.572 -6.311 1.00 0.00 H new ATOM 0 HG23 THR A 112 3.206 11.561 -7.046 1.00 0.00 H new ATOM 1686 N ARG A 113 0.292 7.390 -7.460 1.00 0.00 N ATOM 1687 CA ARG A 113 -0.453 6.276 -8.035 1.00 0.00 C ATOM 1688 C ARG A 113 -1.871 6.686 -8.424 1.00 0.00 C ATOM 1689 O ARG A 113 -2.601 7.281 -7.630 1.00 0.00 O ATOM 1690 CB ARG A 113 -0.502 5.112 -7.046 1.00 0.00 C ATOM 1691 CG ARG A 113 -0.887 5.526 -5.635 1.00 0.00 C ATOM 1692 CD ARG A 113 -1.538 4.381 -4.873 1.00 0.00 C ATOM 1693 NE ARG A 113 -2.929 4.673 -4.534 1.00 0.00 N ATOM 1694 CZ ARG A 113 -3.610 4.036 -3.584 1.00 0.00 C ATOM 1695 NH1 ARG A 113 -3.037 3.064 -2.886 1.00 0.00 N ATOM 1696 NH2 ARG A 113 -4.870 4.370 -3.336 1.00 0.00 N ATOM 0 H ARG A 113 -0.080 7.737 -6.576 1.00 0.00 H new ATOM 0 HA ARG A 113 0.066 5.964 -8.941 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -1.216 4.371 -7.405 1.00 0.00 H new ATOM 0 HB3 ARG A 113 0.474 4.628 -7.020 1.00 0.00 H new ATOM 0 HG2 ARG A 113 0.001 5.862 -5.099 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -1.573 6.372 -5.678 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -1.494 3.473 -5.475 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -0.975 4.186 -3.960 1.00 0.00 H new ATOM 0 HE ARG A 113 -3.406 5.408 -5.056 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -2.070 2.801 -3.076 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -3.564 2.579 -2.159 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -5.316 5.114 -3.873 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -5.393 3.883 -2.608 1.00 0.00 H new ATOM 1710 N LEU A 114 -2.254 6.345 -9.652 1.00 0.00 N ATOM 1711 CA LEU A 114 -3.585 6.653 -10.163 1.00 0.00 C ATOM 1712 C LEU A 114 -4.255 5.385 -10.682 1.00 0.00 C ATOM 1713 O LEU A 114 -3.717 4.705 -11.557 1.00 0.00 O ATOM 1714 CB LEU A 114 -3.496 7.692 -11.287 1.00 0.00 C ATOM 1715 CG LEU A 114 -4.834 8.078 -11.927 1.00 0.00 C ATOM 1716 CD1 LEU A 114 -4.847 9.554 -12.301 1.00 0.00 C ATOM 1717 CD2 LEU A 114 -5.105 7.218 -13.153 1.00 0.00 C ATOM 0 H LEU A 114 -1.656 5.852 -10.315 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.183 7.064 -9.349 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.028 8.593 -10.891 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.837 7.306 -12.065 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.624 7.903 -11.197 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.806 9.806 -12.754 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.698 10.158 -11.406 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -4.046 9.756 -13.012 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.059 7.505 -13.595 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.308 7.363 -13.883 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.142 6.169 -12.860 1.00 0.00 H new ATOM 1729 N GLY A 115 -5.425 5.061 -10.136 1.00 0.00 N ATOM 1730 CA GLY A 115 -6.129 3.868 -10.568 1.00 0.00 C ATOM 1731 C GLY A 115 -7.459 3.683 -9.867 1.00 0.00 C ATOM 1732 O GLY A 115 -8.174 4.654 -9.615 1.00 0.00 O ATOM 0 H GLY A 115 -5.894 5.600 -9.408 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.295 3.920 -11.644 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.502 2.995 -10.384 1.00 0.00 H new ATOM 1736 N GLY A 116 -7.796 2.434 -9.553 1.00 0.00 N ATOM 1737 CA GLY A 116 -9.053 2.158 -8.883 1.00 0.00 C ATOM 1738 C GLY A 116 -8.935 1.065 -7.844 1.00 0.00 C ATOM 1739 O GLY A 116 -7.919 0.374 -7.769 1.00 0.00 O ATOM 0 H GLY A 116 -7.223 1.613 -9.750 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -9.413 3.069 -8.406 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -9.799 1.870 -9.624 1.00 0.00 H new ATOM 1743 N MET A 117 -9.978 0.910 -7.036 1.00 0.00 N ATOM 1744 CA MET A 117 -9.992 -0.106 -5.991 1.00 0.00 C ATOM 1745 C MET A 117 -11.245 -0.971 -6.088 1.00 0.00 C ATOM 1746 O MET A 117 -12.347 -0.465 -6.315 1.00 0.00 O ATOM 1747 CB MET A 117 -9.918 0.552 -4.613 1.00 0.00 C ATOM 1748 CG MET A 117 -9.183 -0.287 -3.579 1.00 0.00 C ATOM 1749 SD MET A 117 -10.269 -1.443 -2.724 1.00 0.00 S ATOM 1750 CE MET A 117 -11.486 -0.321 -2.041 1.00 0.00 C ATOM 0 H MET A 117 -10.825 1.476 -7.085 1.00 0.00 H new ATOM 0 HA MET A 117 -9.120 -0.746 -6.129 1.00 0.00 H new ATOM 0 HB2 MET A 117 -9.420 1.517 -4.706 1.00 0.00 H new ATOM 0 HB3 MET A 117 -10.930 0.748 -4.258 1.00 0.00 H new ATOM 0 HG2 MET A 117 -8.382 -0.841 -4.069 1.00 0.00 H new ATOM 0 HG3 MET A 117 -8.714 0.372 -2.849 1.00 0.00 H new ATOM 0 HE1 MET A 117 -11.854 -0.716 -1.094 1.00 0.00 H new ATOM 0 HE2 MET A 117 -11.029 0.654 -1.875 1.00 0.00 H new ATOM 0 HE3 MET A 117 -12.317 -0.218 -2.738 1.00 0.00 H new ATOM 1760 N VAL A 118 -11.064 -2.276 -5.910 1.00 0.00 N ATOM 1761 CA VAL A 118 -12.171 -3.220 -5.973 1.00 0.00 C ATOM 1762 C VAL A 118 -12.207 -4.092 -4.722 1.00 0.00 C ATOM 1763 O VAL A 118 -11.203 -4.700 -4.351 1.00 0.00 O ATOM 1764 CB VAL A 118 -12.077 -4.134 -7.215 1.00 0.00 C ATOM 1765 CG1 VAL A 118 -13.460 -4.605 -7.636 1.00 0.00 C ATOM 1766 CG2 VAL A 118 -11.376 -3.423 -8.367 1.00 0.00 C ATOM 0 H VAL A 118 -10.157 -2.703 -5.720 1.00 0.00 H new ATOM 0 HA VAL A 118 -13.085 -2.630 -6.041 1.00 0.00 H new ATOM 0 HB VAL A 118 -11.481 -5.007 -6.948 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -13.374 -5.248 -8.512 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -13.918 -5.163 -6.820 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -14.080 -3.742 -7.878 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -11.324 -4.089 -9.228 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -11.935 -2.527 -8.635 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.367 -3.144 -8.062 1.00 0.00 H new ATOM 1776 N TRP A 119 -13.364 -4.150 -4.073 1.00 0.00 N ATOM 1777 CA TRP A 119 -13.520 -4.949 -2.863 1.00 0.00 C ATOM 1778 C TRP A 119 -14.897 -5.603 -2.814 1.00 0.00 C ATOM 1779 O TRP A 119 -15.814 -5.195 -3.526 1.00 0.00 O ATOM 1780 CB TRP A 119 -13.308 -4.081 -1.622 1.00 0.00 C ATOM 1781 CG TRP A 119 -14.310 -2.974 -1.492 1.00 0.00 C ATOM 1782 CD1 TRP A 119 -14.586 -2.006 -2.414 1.00 0.00 C ATOM 1783 CD2 TRP A 119 -15.165 -2.719 -0.374 1.00 0.00 C ATOM 1784 NE1 TRP A 119 -15.564 -1.165 -1.938 1.00 0.00 N ATOM 1785 CE2 TRP A 119 -15.935 -1.582 -0.686 1.00 0.00 C ATOM 1786 CE3 TRP A 119 -15.357 -3.342 0.863 1.00 0.00 C ATOM 1787 CZ2 TRP A 119 -16.879 -1.057 0.192 1.00 0.00 C ATOM 1788 CZ3 TRP A 119 -16.295 -2.820 1.734 1.00 0.00 C ATOM 1789 CH2 TRP A 119 -17.046 -1.688 1.396 1.00 0.00 C ATOM 0 H TRP A 119 -14.207 -3.654 -4.364 1.00 0.00 H new ATOM 0 HA TRP A 119 -12.766 -5.736 -2.879 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -13.357 -4.711 -0.734 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -12.306 -3.653 -1.654 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -14.106 -1.914 -3.377 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -15.950 -0.362 -2.435 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -14.783 -4.216 1.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -17.459 -0.183 -0.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -16.451 -3.294 2.692 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -17.771 -1.305 2.098 1.00 0.00 H new ATOM 2091 N VAL A 141 -16.591 -0.983 -5.925 1.00 0.00 N ATOM 2092 CA VAL A 141 -15.568 -0.531 -6.861 1.00 0.00 C ATOM 2093 C VAL A 141 -15.588 0.989 -7.001 1.00 0.00 C ATOM 2094 O VAL A 141 -16.638 1.584 -7.248 1.00 0.00 O ATOM 2095 CB VAL A 141 -15.760 -1.170 -8.250 1.00 0.00 C ATOM 2096 CG1 VAL A 141 -17.110 -0.785 -8.836 1.00 0.00 C ATOM 2097 CG2 VAL A 141 -14.631 -0.771 -9.189 1.00 0.00 C ATOM 0 HA VAL A 141 -14.604 -0.842 -6.458 1.00 0.00 H new ATOM 0 HB VAL A 141 -15.736 -2.253 -8.132 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -17.226 -1.246 -9.817 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -17.905 -1.131 -8.176 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -17.168 0.299 -8.936 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -14.788 -1.234 -10.163 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -14.616 0.313 -9.300 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -13.679 -1.106 -8.777 1.00 0.00 H new ATOM 2107 N SER A 142 -14.424 1.615 -6.845 1.00 0.00 N ATOM 2108 CA SER A 142 -14.326 3.068 -6.957 1.00 0.00 C ATOM 2109 C SER A 142 -12.903 3.507 -7.300 1.00 0.00 C ATOM 2110 O SER A 142 -11.933 2.940 -6.794 1.00 0.00 O ATOM 2111 CB SER A 142 -14.774 3.729 -5.652 1.00 0.00 C ATOM 2112 OG SER A 142 -14.541 2.879 -4.544 1.00 0.00 O ATOM 0 H SER A 142 -13.542 1.144 -6.642 1.00 0.00 H new ATOM 0 HA SER A 142 -14.983 3.385 -7.767 1.00 0.00 H new ATOM 0 HB2 SER A 142 -14.238 4.668 -5.513 1.00 0.00 H new ATOM 0 HB3 SER A 142 -15.835 3.974 -5.710 1.00 0.00 H new ATOM 0 HG SER A 142 -14.834 3.325 -3.722 1.00 0.00 H new ATOM 2118 N PRO A 143 -12.753 4.533 -8.161 1.00 0.00 N ATOM 2119 CA PRO A 143 -11.441 5.049 -8.563 1.00 0.00 C ATOM 2120 C PRO A 143 -10.784 5.859 -7.450 1.00 0.00 C ATOM 2121 O PRO A 143 -11.471 6.433 -6.603 1.00 0.00 O ATOM 2122 CB PRO A 143 -11.748 5.954 -9.769 1.00 0.00 C ATOM 2123 CG PRO A 143 -13.195 5.745 -10.083 1.00 0.00 C ATOM 2124 CD PRO A 143 -13.840 5.275 -8.813 1.00 0.00 C ATOM 0 HA PRO A 143 -10.744 4.243 -8.794 1.00 0.00 H new ATOM 0 HB2 PRO A 143 -11.547 6.999 -9.534 1.00 0.00 H new ATOM 0 HB3 PRO A 143 -11.122 5.693 -10.622 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -13.654 6.670 -10.433 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -13.318 5.008 -10.877 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -14.187 6.108 -8.201 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -14.705 4.641 -9.008 1.00 0.00 H new ATOM 2132 N VAL A 144 -9.453 5.910 -7.455 1.00 0.00 N ATOM 2133 CA VAL A 144 -8.721 6.658 -6.438 1.00 0.00 C ATOM 2134 C VAL A 144 -7.330 7.059 -6.922 1.00 0.00 C ATOM 2135 O VAL A 144 -6.808 6.508 -7.893 1.00 0.00 O ATOM 2136 CB VAL A 144 -8.576 5.848 -5.135 1.00 0.00 C ATOM 2137 CG1 VAL A 144 -9.939 5.580 -4.515 1.00 0.00 C ATOM 2138 CG2 VAL A 144 -7.830 4.548 -5.392 1.00 0.00 C ATOM 0 H VAL A 144 -8.864 5.446 -8.147 1.00 0.00 H new ATOM 0 HA VAL A 144 -9.305 7.557 -6.243 1.00 0.00 H new ATOM 0 HB VAL A 144 -7.993 6.438 -4.427 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -9.814 5.007 -3.596 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -10.428 6.527 -4.288 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -10.552 5.013 -5.216 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -7.738 3.991 -4.460 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -8.380 3.951 -6.119 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -6.836 4.770 -5.782 1.00 0.00 H new ATOM 2148 N PHE A 145 -6.736 8.025 -6.224 1.00 0.00 N ATOM 2149 CA PHE A 145 -5.403 8.514 -6.555 1.00 0.00 C ATOM 2150 C PHE A 145 -4.629 8.840 -5.282 1.00 0.00 C ATOM 2151 O PHE A 145 -5.037 9.701 -4.503 1.00 0.00 O ATOM 2152 CB PHE A 145 -5.500 9.758 -7.443 1.00 0.00 C ATOM 2153 CG PHE A 145 -4.167 10.326 -7.838 1.00 0.00 C ATOM 2154 CD1 PHE A 145 -3.377 10.987 -6.912 1.00 0.00 C ATOM 2155 CD2 PHE A 145 -3.704 10.200 -9.137 1.00 0.00 C ATOM 2156 CE1 PHE A 145 -2.149 11.509 -7.274 1.00 0.00 C ATOM 2157 CE2 PHE A 145 -2.479 10.720 -9.506 1.00 0.00 C ATOM 2158 CZ PHE A 145 -1.700 11.377 -8.573 1.00 0.00 C ATOM 0 H PHE A 145 -7.162 8.486 -5.420 1.00 0.00 H new ATOM 0 HA PHE A 145 -4.872 7.733 -7.100 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -6.059 9.507 -8.344 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -6.070 10.524 -6.918 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -3.724 11.096 -5.895 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -4.309 9.688 -9.871 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -1.542 12.020 -6.541 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -2.130 10.613 -10.523 1.00 0.00 H new ATOM 0 HZ PHE A 145 -0.742 11.786 -8.859 1.00 0.00 H new ATOM 2168 N ALA A 146 -3.511 8.151 -5.074 1.00 0.00 N ATOM 2169 CA ALA A 146 -2.689 8.373 -3.889 1.00 0.00 C ATOM 2170 C ALA A 146 -1.304 8.884 -4.268 1.00 0.00 C ATOM 2171 O ALA A 146 -0.712 8.440 -5.251 1.00 0.00 O ATOM 2172 CB ALA A 146 -2.576 7.091 -3.078 1.00 0.00 C ATOM 0 H ALA A 146 -3.154 7.436 -5.708 1.00 0.00 H new ATOM 0 HA ALA A 146 -3.174 9.135 -3.279 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.960 7.271 -2.197 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -3.570 6.769 -2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -2.117 6.313 -3.689 1.00 0.00 H new ATOM 2178 N GLY A 147 -0.791 9.819 -3.474 1.00 0.00 N ATOM 2179 CA GLY A 147 0.523 10.374 -3.736 1.00 0.00 C ATOM 2180 C GLY A 147 1.335 10.543 -2.468 1.00 0.00 C ATOM 2181 O GLY A 147 0.823 11.028 -1.459 1.00 0.00 O ATOM 0 H GLY A 147 -1.262 10.202 -2.654 1.00 0.00 H new ATOM 0 HA2 GLY A 147 1.060 9.723 -4.425 1.00 0.00 H new ATOM 0 HA3 GLY A 147 0.416 11.340 -4.229 1.00 0.00 H new ATOM 2185 N GLY A 148 2.600 10.141 -2.513 1.00 0.00 N ATOM 2186 CA GLY A 148 3.449 10.261 -1.343 1.00 0.00 C ATOM 2187 C GLY A 148 4.924 10.197 -1.679 1.00 0.00 C ATOM 2188 O GLY A 148 5.310 10.284 -2.846 1.00 0.00 O ATOM 0 H GLY A 148 3.051 9.736 -3.334 1.00 0.00 H new ATOM 0 HA2 GLY A 148 3.236 11.205 -0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 148 3.206 9.464 -0.640 1.00 0.00 H new ATOM 2192 N VAL A 149 5.752 10.041 -0.651 1.00 0.00 N ATOM 2193 CA VAL A 149 7.197 9.964 -0.839 1.00 0.00 C ATOM 2194 C VAL A 149 7.771 8.717 -0.171 1.00 0.00 C ATOM 2195 O VAL A 149 7.143 8.125 0.708 1.00 0.00 O ATOM 2196 CB VAL A 149 7.904 11.218 -0.287 1.00 0.00 C ATOM 2197 CG1 VAL A 149 7.717 12.397 -1.234 1.00 0.00 C ATOM 2198 CG2 VAL A 149 7.390 11.554 1.105 1.00 0.00 C ATOM 0 H VAL A 149 5.448 9.965 0.320 1.00 0.00 H new ATOM 0 HA VAL A 149 7.378 9.907 -1.912 1.00 0.00 H new ATOM 0 HB VAL A 149 8.971 11.008 -0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 149 8.223 13.273 -0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 149 8.141 12.152 -2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.654 12.610 -1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 149 7.901 12.442 1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 149 6.318 11.744 1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 149 7.582 10.717 1.776 1.00 0.00 H new ATOM 2208 N GLU A 150 8.965 8.318 -0.605 1.00 0.00 N ATOM 2209 CA GLU A 150 9.623 7.134 -0.066 1.00 0.00 C ATOM 2210 C GLU A 150 10.977 7.484 0.543 1.00 0.00 C ATOM 2211 O GLU A 150 11.758 8.240 -0.042 1.00 0.00 O ATOM 2212 CB GLU A 150 9.808 6.089 -1.170 1.00 0.00 C ATOM 2213 CG GLU A 150 9.766 4.651 -0.674 1.00 0.00 C ATOM 2214 CD GLU A 150 10.691 4.408 0.503 1.00 0.00 C ATOM 2215 OE1 GLU A 150 11.881 4.777 0.407 1.00 0.00 O ATOM 2216 OE2 GLU A 150 10.227 3.849 1.516 1.00 0.00 O ATOM 0 H GLU A 150 9.496 8.800 -1.330 1.00 0.00 H new ATOM 0 HA GLU A 150 8.989 6.725 0.721 1.00 0.00 H new ATOM 0 HB2 GLU A 150 9.030 6.227 -1.921 1.00 0.00 H new ATOM 0 HB3 GLU A 150 10.763 6.264 -1.665 1.00 0.00 H new ATOM 0 HG2 GLU A 150 8.745 4.401 -0.386 1.00 0.00 H new ATOM 0 HG3 GLU A 150 10.040 3.982 -1.490 1.00 0.00 H new ATOM 2223 N TRP A 151 11.251 6.917 1.713 1.00 0.00 N ATOM 2224 CA TRP A 151 12.513 7.153 2.407 1.00 0.00 C ATOM 2225 C TRP A 151 13.258 5.839 2.621 1.00 0.00 C ATOM 2226 O TRP A 151 12.745 4.922 3.262 1.00 0.00 O ATOM 2227 CB TRP A 151 12.262 7.838 3.752 1.00 0.00 C ATOM 2228 CG TRP A 151 11.311 8.992 3.660 1.00 0.00 C ATOM 2229 CD1 TRP A 151 9.993 8.998 4.016 1.00 0.00 C ATOM 2230 CD2 TRP A 151 11.604 10.310 3.182 1.00 0.00 C ATOM 2231 NE1 TRP A 151 9.447 10.238 3.789 1.00 0.00 N ATOM 2232 CE2 TRP A 151 10.418 11.061 3.277 1.00 0.00 C ATOM 2233 CE3 TRP A 151 12.754 10.928 2.684 1.00 0.00 C ATOM 2234 CZ2 TRP A 151 10.349 12.397 2.891 1.00 0.00 C ATOM 2235 CZ3 TRP A 151 12.686 12.255 2.301 1.00 0.00 C ATOM 2236 CH2 TRP A 151 11.490 12.976 2.408 1.00 0.00 C ATOM 0 H TRP A 151 10.614 6.289 2.202 1.00 0.00 H new ATOM 0 HA TRP A 151 13.128 7.807 1.789 1.00 0.00 H new ATOM 0 HB2 TRP A 151 11.867 7.106 4.457 1.00 0.00 H new ATOM 0 HB3 TRP A 151 13.211 8.190 4.156 1.00 0.00 H new ATOM 0 HD1 TRP A 151 9.457 8.151 4.418 1.00 0.00 H new ATOM 0 HE1 TRP A 151 8.479 10.503 3.971 1.00 0.00 H new ATOM 0 HE3 TRP A 151 13.680 10.379 2.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 151 9.428 12.956 2.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 151 13.568 12.743 1.914 1.00 0.00 H new ATOM 0 HH2 TRP A 151 11.468 14.012 2.102 1.00 0.00 H new ATOM 2247 N ALA A 152 14.465 5.749 2.073 1.00 0.00 N ATOM 2248 CA ALA A 152 15.274 4.543 2.198 1.00 0.00 C ATOM 2249 C ALA A 152 16.224 4.626 3.388 1.00 0.00 C ATOM 2250 O ALA A 152 17.089 5.500 3.446 1.00 0.00 O ATOM 2251 CB ALA A 152 16.054 4.300 0.916 1.00 0.00 C ATOM 0 H ALA A 152 14.905 6.498 1.538 1.00 0.00 H new ATOM 0 HA ALA A 152 14.599 3.705 2.371 1.00 0.00 H new ATOM 0 HB1 ALA A 152 16.655 3.397 1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 152 15.359 4.179 0.085 1.00 0.00 H new ATOM 0 HB3 ALA A 152 16.708 5.150 0.721 1.00 0.00 H new ATOM 2257 N VAL A 153 16.061 3.704 4.332 1.00 0.00 N ATOM 2258 CA VAL A 153 16.908 3.662 5.520 1.00 0.00 C ATOM 2259 C VAL A 153 17.724 2.375 5.558 1.00 0.00 C ATOM 2260 O VAL A 153 17.235 1.332 5.990 1.00 0.00 O ATOM 2261 CB VAL A 153 16.075 3.768 6.811 1.00 0.00 C ATOM 2262 CG1 VAL A 153 16.984 3.841 8.031 1.00 0.00 C ATOM 2263 CG2 VAL A 153 15.149 4.974 6.752 1.00 0.00 C ATOM 0 H VAL A 153 15.349 2.975 4.297 1.00 0.00 H new ATOM 0 HA VAL A 153 17.580 4.518 5.463 1.00 0.00 H new ATOM 0 HB VAL A 153 15.461 2.872 6.899 1.00 0.00 H new ATOM 0 HG11 VAL A 153 16.377 3.916 8.933 1.00 0.00 H new ATOM 0 HG12 VAL A 153 17.599 2.943 8.081 1.00 0.00 H new ATOM 0 HG13 VAL A 153 17.627 4.717 7.953 1.00 0.00 H new ATOM 0 HG21 VAL A 153 14.569 5.032 7.673 1.00 0.00 H new ATOM 0 HG22 VAL A 153 15.741 5.882 6.638 1.00 0.00 H new ATOM 0 HG23 VAL A 153 14.473 4.873 5.903 1.00 0.00 H new ATOM 2323 N ILE A 157 15.335 -2.266 4.641 1.00 0.00 N ATOM 2324 CA ILE A 157 13.926 -1.917 4.784 1.00 0.00 C ATOM 2325 C ILE A 157 13.709 -0.419 4.600 1.00 0.00 C ATOM 2326 O ILE A 157 14.438 0.398 5.163 1.00 0.00 O ATOM 2327 CB ILE A 157 13.380 -2.334 6.164 1.00 0.00 C ATOM 2328 CG1 ILE A 157 13.799 -3.767 6.492 1.00 0.00 C ATOM 2329 CG2 ILE A 157 11.865 -2.197 6.197 1.00 0.00 C ATOM 2330 CD1 ILE A 157 15.083 -3.853 7.288 1.00 0.00 C ATOM 0 HA ILE A 157 13.387 -2.460 4.007 1.00 0.00 H new ATOM 0 HB ILE A 157 13.802 -1.672 6.920 1.00 0.00 H new ATOM 0 HG12 ILE A 157 13.000 -4.251 7.053 1.00 0.00 H new ATOM 0 HG13 ILE A 157 13.919 -4.324 5.563 1.00 0.00 H new ATOM 0 HG21 ILE A 157 11.494 -2.495 7.178 1.00 0.00 H new ATOM 0 HG22 ILE A 157 11.589 -1.160 6.004 1.00 0.00 H new ATOM 0 HG23 ILE A 157 11.425 -2.838 5.433 1.00 0.00 H new ATOM 0 HD11 ILE A 157 15.320 -4.899 7.485 1.00 0.00 H new ATOM 0 HD12 ILE A 157 15.894 -3.398 6.720 1.00 0.00 H new ATOM 0 HD13 ILE A 157 14.961 -3.324 8.233 1.00 0.00 H new ATOM 2342 N ALA A 158 12.703 -0.062 3.807 1.00 0.00 N ATOM 2343 CA ALA A 158 12.393 1.339 3.551 1.00 0.00 C ATOM 2344 C ALA A 158 11.027 1.718 4.116 1.00 0.00 C ATOM 2345 O ALA A 158 10.196 0.855 4.394 1.00 0.00 O ATOM 2346 CB ALA A 158 12.447 1.625 2.057 1.00 0.00 C ATOM 0 H ALA A 158 12.090 -0.724 3.331 1.00 0.00 H new ATOM 0 HA ALA A 158 13.143 1.948 4.056 1.00 0.00 H new ATOM 0 HB1 ALA A 158 12.214 2.675 1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 158 13.446 1.407 1.681 1.00 0.00 H new ATOM 0 HB3 ALA A 158 11.720 0.999 1.540 1.00 0.00 H new ATOM 2352 N THR A 159 10.805 3.018 4.276 1.00 0.00 N ATOM 2353 CA THR A 159 9.544 3.529 4.799 1.00 0.00 C ATOM 2354 C THR A 159 9.025 4.652 3.913 1.00 0.00 C ATOM 2355 O THR A 159 9.805 5.435 3.371 1.00 0.00 O ATOM 2356 CB THR A 159 9.724 4.029 6.233 1.00 0.00 C ATOM 2357 OG1 THR A 159 8.501 4.529 6.746 1.00 0.00 O ATOM 2358 CG2 THR A 159 10.757 5.129 6.357 1.00 0.00 C ATOM 0 H THR A 159 11.487 3.741 4.049 1.00 0.00 H new ATOM 0 HA THR A 159 8.816 2.718 4.803 1.00 0.00 H new ATOM 0 HB THR A 159 10.067 3.164 6.801 1.00 0.00 H new ATOM 0 HG1 THR A 159 7.753 4.050 6.333 1.00 0.00 H new ATOM 0 HG21 THR A 159 10.836 5.438 7.399 1.00 0.00 H new ATOM 0 HG22 THR A 159 11.724 4.761 6.014 1.00 0.00 H new ATOM 0 HG23 THR A 159 10.456 5.981 5.747 1.00 0.00 H new ATOM 2366 N ARG A 160 7.708 4.725 3.753 1.00 0.00 N ATOM 2367 CA ARG A 160 7.111 5.754 2.912 1.00 0.00 C ATOM 2368 C ARG A 160 5.874 6.372 3.556 1.00 0.00 C ATOM 2369 O ARG A 160 5.199 5.745 4.378 1.00 0.00 O ATOM 2370 CB ARG A 160 6.743 5.167 1.548 1.00 0.00 C ATOM 2371 CG ARG A 160 5.626 4.135 1.607 1.00 0.00 C ATOM 2372 CD ARG A 160 6.023 2.839 0.920 1.00 0.00 C ATOM 2373 NE ARG A 160 6.186 3.012 -0.522 1.00 0.00 N ATOM 2374 CZ ARG A 160 6.204 2.005 -1.393 1.00 0.00 C ATOM 2375 NH1 ARG A 160 6.068 0.754 -0.973 1.00 0.00 N ATOM 2376 NH2 ARG A 160 6.354 2.251 -2.688 1.00 0.00 N ATOM 0 H ARG A 160 7.040 4.090 4.190 1.00 0.00 H new ATOM 0 HA ARG A 160 7.851 6.544 2.788 1.00 0.00 H new ATOM 0 HB2 ARG A 160 6.443 5.977 0.883 1.00 0.00 H new ATOM 0 HB3 ARG A 160 7.628 4.706 1.110 1.00 0.00 H new ATOM 0 HG2 ARG A 160 5.372 3.933 2.647 1.00 0.00 H new ATOM 0 HG3 ARG A 160 4.731 4.539 1.133 1.00 0.00 H new ATOM 0 HD2 ARG A 160 6.955 2.472 1.349 1.00 0.00 H new ATOM 0 HD3 ARG A 160 5.264 2.080 1.111 1.00 0.00 H new ATOM 0 HE ARG A 160 6.292 3.960 -0.883 1.00 0.00 H new ATOM 0 HH11 ARG A 160 5.949 0.560 0.021 1.00 0.00 H new ATOM 0 HH12 ARG A 160 6.082 -0.014 -1.644 1.00 0.00 H new ATOM 0 HH21 ARG A 160 6.456 3.211 -3.016 1.00 0.00 H new ATOM 0 HH22 ARG A 160 6.368 1.480 -3.355 1.00 0.00 H new ATOM 2390 N LEU A 161 5.580 7.604 3.152 1.00 0.00 N ATOM 2391 CA LEU A 161 4.418 8.332 3.652 1.00 0.00 C ATOM 2392 C LEU A 161 3.498 8.690 2.489 1.00 0.00 C ATOM 2393 O LEU A 161 3.918 9.354 1.538 1.00 0.00 O ATOM 2394 CB LEU A 161 4.856 9.599 4.396 1.00 0.00 C ATOM 2395 CG LEU A 161 4.128 9.861 5.719 1.00 0.00 C ATOM 2396 CD1 LEU A 161 4.952 10.780 6.610 1.00 0.00 C ATOM 2397 CD2 LEU A 161 2.749 10.454 5.460 1.00 0.00 C ATOM 0 H LEU A 161 6.136 8.123 2.473 1.00 0.00 H new ATOM 0 HA LEU A 161 3.877 7.696 4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 161 5.926 9.533 4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 161 4.706 10.457 3.740 1.00 0.00 H new ATOM 0 HG LEU A 161 4.000 8.911 6.237 1.00 0.00 H new ATOM 0 HD11 LEU A 161 4.419 10.955 7.545 1.00 0.00 H new ATOM 0 HD12 LEU A 161 5.914 10.314 6.823 1.00 0.00 H new ATOM 0 HD13 LEU A 161 5.114 11.731 6.102 1.00 0.00 H new ATOM 0 HD21 LEU A 161 2.246 10.634 6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 161 2.853 11.396 4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 161 2.160 9.758 4.864 1.00 0.00 H new ATOM 2409 N GLU A 162 2.253 8.229 2.555 1.00 0.00 N ATOM 2410 CA GLU A 162 1.289 8.487 1.491 1.00 0.00 C ATOM 2411 C GLU A 162 0.234 9.503 1.917 1.00 0.00 C ATOM 2412 O GLU A 162 -0.184 9.539 3.075 1.00 0.00 O ATOM 2413 CB GLU A 162 0.614 7.181 1.067 1.00 0.00 C ATOM 2414 CG GLU A 162 1.233 6.551 -0.169 1.00 0.00 C ATOM 2415 CD GLU A 162 0.217 5.822 -1.025 1.00 0.00 C ATOM 2416 OE1 GLU A 162 -0.856 5.465 -0.496 1.00 0.00 O ATOM 2417 OE2 GLU A 162 0.494 5.608 -2.225 1.00 0.00 O ATOM 0 H GLU A 162 1.889 7.677 3.331 1.00 0.00 H new ATOM 0 HA GLU A 162 1.834 8.908 0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 162 0.666 6.470 1.892 1.00 0.00 H new ATOM 0 HB3 GLU A 162 -0.442 7.372 0.877 1.00 0.00 H new ATOM 0 HG2 GLU A 162 1.714 7.327 -0.765 1.00 0.00 H new ATOM 0 HG3 GLU A 162 2.013 5.853 0.136 1.00 0.00 H new ATOM 2424 N TYR A 163 -0.195 10.321 0.960 1.00 0.00 N ATOM 2425 CA TYR A 163 -1.209 11.339 1.211 1.00 0.00 C ATOM 2426 C TYR A 163 -2.317 11.258 0.166 1.00 0.00 C ATOM 2427 O TYR A 163 -2.084 10.834 -0.968 1.00 0.00 O ATOM 2428 CB TYR A 163 -0.579 12.734 1.194 1.00 0.00 C ATOM 2429 CG TYR A 163 0.577 12.892 2.154 1.00 0.00 C ATOM 2430 CD1 TYR A 163 1.773 12.212 1.949 1.00 0.00 C ATOM 2431 CD2 TYR A 163 0.477 13.721 3.263 1.00 0.00 C ATOM 2432 CE1 TYR A 163 2.832 12.355 2.824 1.00 0.00 C ATOM 2433 CE2 TYR A 163 1.533 13.869 4.143 1.00 0.00 C ATOM 2434 CZ TYR A 163 2.708 13.184 3.919 1.00 0.00 C ATOM 2435 OH TYR A 163 3.761 13.327 4.792 1.00 0.00 O ATOM 0 H TYR A 163 0.146 10.298 -0.001 1.00 0.00 H new ATOM 0 HA TYR A 163 -1.640 11.157 2.195 1.00 0.00 H new ATOM 0 HB2 TYR A 163 -0.233 12.954 0.184 1.00 0.00 H new ATOM 0 HB3 TYR A 163 -1.344 13.471 1.437 1.00 0.00 H new ATOM 0 HD1 TYR A 163 1.875 11.562 1.092 1.00 0.00 H new ATOM 0 HD2 TYR A 163 -0.442 14.260 3.441 1.00 0.00 H new ATOM 0 HE1 TYR A 163 3.754 11.820 2.651 1.00 0.00 H new ATOM 0 HE2 TYR A 163 1.438 14.518 5.001 1.00 0.00 H new ATOM 0 HH TYR A 163 3.510 13.947 5.508 1.00 0.00 H new ATOM 2445 N GLN A 164 -3.524 11.660 0.553 1.00 0.00 N ATOM 2446 CA GLN A 164 -4.667 11.627 -0.352 1.00 0.00 C ATOM 2447 C GLN A 164 -5.151 13.037 -0.674 1.00 0.00 C ATOM 2448 O GLN A 164 -5.909 13.635 0.090 1.00 0.00 O ATOM 2449 CB GLN A 164 -5.807 10.811 0.261 1.00 0.00 C ATOM 2450 CG GLN A 164 -6.453 9.841 -0.714 1.00 0.00 C ATOM 2451 CD GLN A 164 -6.174 8.392 -0.366 1.00 0.00 C ATOM 2452 OE1 GLN A 164 -7.059 7.539 -0.450 1.00 0.00 O ATOM 2453 NE2 GLN A 164 -4.937 8.104 0.024 1.00 0.00 N ATOM 0 H GLN A 164 -3.735 12.012 1.487 1.00 0.00 H new ATOM 0 HA GLN A 164 -4.348 11.153 -1.280 1.00 0.00 H new ATOM 0 HB2 GLN A 164 -5.425 10.253 1.116 1.00 0.00 H new ATOM 0 HB3 GLN A 164 -6.568 11.493 0.640 1.00 0.00 H new ATOM 0 HG2 GLN A 164 -7.530 10.007 -0.726 1.00 0.00 H new ATOM 0 HG3 GLN A 164 -6.088 10.046 -1.720 1.00 0.00 H new ATOM 0 HE21 GLN A 164 -4.235 8.842 0.079 1.00 0.00 H new ATOM 0 HE22 GLN A 164 -4.689 7.145 0.268 1.00 0.00 H new ATOM 2724 N LEU A 184 -3.597 10.876 5.794 1.00 0.00 N ATOM 2725 CA LEU A 184 -2.186 10.522 5.690 1.00 0.00 C ATOM 2726 C LEU A 184 -1.925 9.157 6.316 1.00 0.00 C ATOM 2727 O LEU A 184 -2.448 8.844 7.386 1.00 0.00 O ATOM 2728 CB LEU A 184 -1.324 11.585 6.372 1.00 0.00 C ATOM 2729 CG LEU A 184 -1.747 13.031 6.102 1.00 0.00 C ATOM 2730 CD1 LEU A 184 -2.961 13.399 6.942 1.00 0.00 C ATOM 2731 CD2 LEU A 184 -0.595 13.984 6.382 1.00 0.00 C ATOM 0 HA LEU A 184 -1.921 10.474 4.634 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -1.343 11.411 7.448 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -0.291 11.458 6.047 1.00 0.00 H new ATOM 0 HG LEU A 184 -2.019 13.119 5.050 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -3.247 14.431 6.736 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -3.790 12.736 6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -2.717 13.294 7.999 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -0.913 15.008 6.185 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -0.293 13.893 7.425 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.248 13.736 5.737 1.00 0.00 H new ATOM 2743 N SER A 185 -1.118 8.343 5.642 1.00 0.00 N ATOM 2744 CA SER A 185 -0.797 7.008 6.136 1.00 0.00 C ATOM 2745 C SER A 185 0.705 6.745 6.085 1.00 0.00 C ATOM 2746 O SER A 185 1.416 7.294 5.241 1.00 0.00 O ATOM 2747 CB SER A 185 -1.538 5.949 5.318 1.00 0.00 C ATOM 2748 OG SER A 185 -2.806 5.665 5.881 1.00 0.00 O ATOM 0 H SER A 185 -0.676 8.583 4.755 1.00 0.00 H new ATOM 0 HA SER A 185 -1.118 6.950 7.176 1.00 0.00 H new ATOM 0 HB2 SER A 185 -1.662 6.298 4.293 1.00 0.00 H new ATOM 0 HB3 SER A 185 -0.943 5.037 5.275 1.00 0.00 H new ATOM 0 HG SER A 185 -3.212 6.495 6.208 1.00 0.00 H new ATOM 2754 N LEU A 186 1.178 5.890 6.991 1.00 0.00 N ATOM 2755 CA LEU A 186 2.594 5.539 7.050 1.00 0.00 C ATOM 2756 C LEU A 186 2.777 4.040 6.849 1.00 0.00 C ATOM 2757 O LEU A 186 2.056 3.238 7.441 1.00 0.00 O ATOM 2758 CB LEU A 186 3.210 5.958 8.393 1.00 0.00 C ATOM 2759 CG LEU A 186 2.485 7.087 9.133 1.00 0.00 C ATOM 2760 CD1 LEU A 186 1.505 6.515 10.147 1.00 0.00 C ATOM 2761 CD2 LEU A 186 3.488 8.003 9.821 1.00 0.00 C ATOM 0 H LEU A 186 0.600 5.428 7.694 1.00 0.00 H new ATOM 0 HA LEU A 186 3.105 6.075 6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 186 3.244 5.085 9.044 1.00 0.00 H new ATOM 0 HB3 LEU A 186 4.241 6.266 8.219 1.00 0.00 H new ATOM 0 HG LEU A 186 1.925 7.673 8.404 1.00 0.00 H new ATOM 0 HD11 LEU A 186 0.999 7.330 10.664 1.00 0.00 H new ATOM 0 HD12 LEU A 186 0.768 5.898 9.633 1.00 0.00 H new ATOM 0 HD13 LEU A 186 2.045 5.906 10.872 1.00 0.00 H new ATOM 0 HD21 LEU A 186 2.956 8.799 10.342 1.00 0.00 H new ATOM 0 HD22 LEU A 186 4.073 7.428 10.539 1.00 0.00 H new ATOM 0 HD23 LEU A 186 4.154 8.438 9.076 1.00 0.00 H new ATOM 2773 N GLY A 187 3.737 3.662 6.010 1.00 0.00 N ATOM 2774 CA GLY A 187 3.971 2.251 5.761 1.00 0.00 C ATOM 2775 C GLY A 187 5.428 1.922 5.512 1.00 0.00 C ATOM 2776 O GLY A 187 6.242 2.808 5.253 1.00 0.00 O ATOM 0 H GLY A 187 4.351 4.300 5.503 1.00 0.00 H new ATOM 0 HA2 GLY A 187 3.616 1.674 6.615 1.00 0.00 H new ATOM 0 HA3 GLY A 187 3.382 1.938 4.899 1.00 0.00 H new ATOM 2780 N VAL A 188 5.750 0.632 5.579 1.00 0.00 N ATOM 2781 CA VAL A 188 7.114 0.165 5.348 1.00 0.00 C ATOM 2782 C VAL A 188 7.122 -0.950 4.309 1.00 0.00 C ATOM 2783 O VAL A 188 6.237 -1.805 4.303 1.00 0.00 O ATOM 2784 CB VAL A 188 7.784 -0.340 6.645 1.00 0.00 C ATOM 2785 CG1 VAL A 188 8.468 0.807 7.373 1.00 0.00 C ATOM 2786 CG2 VAL A 188 6.776 -1.030 7.554 1.00 0.00 C ATOM 0 H VAL A 188 5.083 -0.110 5.792 1.00 0.00 H new ATOM 0 HA VAL A 188 7.686 1.018 4.983 1.00 0.00 H new ATOM 0 HB VAL A 188 8.540 -1.075 6.369 1.00 0.00 H new ATOM 0 HG11 VAL A 188 8.935 0.433 8.284 1.00 0.00 H new ATOM 0 HG12 VAL A 188 9.230 1.244 6.728 1.00 0.00 H new ATOM 0 HG13 VAL A 188 7.730 1.567 7.629 1.00 0.00 H new ATOM 0 HG21 VAL A 188 7.278 -1.374 8.458 1.00 0.00 H new ATOM 0 HG22 VAL A 188 5.987 -0.327 7.822 1.00 0.00 H new ATOM 0 HG23 VAL A 188 6.341 -1.883 7.033 1.00 0.00 H new ATOM 2796 N SER A 189 8.111 -0.931 3.421 1.00 0.00 N ATOM 2797 CA SER A 189 8.201 -1.942 2.374 1.00 0.00 C ATOM 2798 C SER A 189 9.638 -2.393 2.149 1.00 0.00 C ATOM 2799 O SER A 189 10.584 -1.777 2.645 1.00 0.00 O ATOM 2800 CB SER A 189 7.617 -1.398 1.067 1.00 0.00 C ATOM 2801 OG SER A 189 6.852 -0.227 1.296 1.00 0.00 O ATOM 0 H SER A 189 8.855 -0.233 3.405 1.00 0.00 H new ATOM 0 HA SER A 189 7.625 -2.808 2.700 1.00 0.00 H new ATOM 0 HB2 SER A 189 8.424 -1.177 0.369 1.00 0.00 H new ATOM 0 HB3 SER A 189 6.991 -2.159 0.601 1.00 0.00 H new ATOM 0 HG SER A 189 5.934 -0.477 1.532 1.00 0.00 H new ATOM 2807 N TYR A 190 9.792 -3.472 1.388 1.00 0.00 N ATOM 2808 CA TYR A 190 11.105 -4.019 1.076 1.00 0.00 C ATOM 2809 C TYR A 190 11.305 -4.097 -0.433 1.00 0.00 C ATOM 2810 O TYR A 190 10.354 -4.328 -1.183 1.00 0.00 O ATOM 2811 CB TYR A 190 11.273 -5.411 1.696 1.00 0.00 C ATOM 2812 CG TYR A 190 10.588 -5.575 3.035 1.00 0.00 C ATOM 2813 CD1 TYR A 190 10.990 -4.833 4.138 1.00 0.00 C ATOM 2814 CD2 TYR A 190 9.540 -6.473 3.194 1.00 0.00 C ATOM 2815 CE1 TYR A 190 10.368 -4.981 5.362 1.00 0.00 C ATOM 2816 CE2 TYR A 190 8.912 -6.627 4.417 1.00 0.00 C ATOM 2817 CZ TYR A 190 9.329 -5.878 5.497 1.00 0.00 C ATOM 2818 OH TYR A 190 8.707 -6.029 6.714 1.00 0.00 O ATOM 0 H TYR A 190 9.016 -3.988 0.974 1.00 0.00 H new ATOM 0 HA TYR A 190 11.858 -3.354 1.499 1.00 0.00 H new ATOM 0 HB2 TYR A 190 10.879 -6.156 1.004 1.00 0.00 H new ATOM 0 HB3 TYR A 190 12.336 -5.618 1.816 1.00 0.00 H new ATOM 0 HD1 TYR A 190 11.802 -4.129 4.037 1.00 0.00 H new ATOM 0 HD2 TYR A 190 9.210 -7.060 2.350 1.00 0.00 H new ATOM 0 HE1 TYR A 190 10.694 -4.397 6.210 1.00 0.00 H new ATOM 0 HE2 TYR A 190 8.099 -7.330 4.525 1.00 0.00 H new ATOM 0 HH TYR A 190 7.996 -6.699 6.637 1.00 0.00 H new ATOM 2828 N ARG A 191 12.543 -3.902 -0.874 1.00 0.00 N ATOM 2829 CA ARG A 191 12.864 -3.946 -2.296 1.00 0.00 C ATOM 2830 C ARG A 191 13.571 -5.250 -2.656 1.00 0.00 C ATOM 2831 O ARG A 191 14.225 -5.866 -1.816 1.00 0.00 O ATOM 2832 CB ARG A 191 13.742 -2.751 -2.679 1.00 0.00 C ATOM 2833 CG ARG A 191 13.119 -1.854 -3.736 1.00 0.00 C ATOM 2834 CD ARG A 191 14.178 -1.232 -4.632 1.00 0.00 C ATOM 2835 NE ARG A 191 13.613 -0.234 -5.537 1.00 0.00 N ATOM 2836 CZ ARG A 191 13.265 0.995 -5.162 1.00 0.00 C ATOM 2837 NH1 ARG A 191 13.426 1.383 -3.903 1.00 0.00 N ATOM 2838 NH2 ARG A 191 12.759 1.840 -6.050 1.00 0.00 N ATOM 0 H ARG A 191 13.341 -3.712 -0.267 1.00 0.00 H new ATOM 0 HA ARG A 191 11.930 -3.896 -2.856 1.00 0.00 H new ATOM 0 HB2 ARG A 191 13.946 -2.160 -1.786 1.00 0.00 H new ATOM 0 HB3 ARG A 191 14.701 -3.118 -3.045 1.00 0.00 H new ATOM 0 HG2 ARG A 191 12.422 -2.433 -4.342 1.00 0.00 H new ATOM 0 HG3 ARG A 191 12.542 -1.066 -3.252 1.00 0.00 H new ATOM 0 HD2 ARG A 191 14.947 -0.768 -4.015 1.00 0.00 H new ATOM 0 HD3 ARG A 191 14.665 -2.014 -5.214 1.00 0.00 H new ATOM 0 HE ARG A 191 13.477 -0.494 -6.514 1.00 0.00 H new ATOM 0 HH11 ARG A 191 13.818 0.738 -3.217 1.00 0.00 H new ATOM 0 HH12 ARG A 191 13.158 2.326 -3.622 1.00 0.00 H new ATOM 0 HH21 ARG A 191 12.637 1.548 -7.020 1.00 0.00 H new ATOM 0 HH22 ARG A 191 12.492 2.782 -5.763 1.00 0.00 H new