USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 610 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 48 THR OG1 : rot -170:sc= 1.07 USER MOD Set 1.2: A 51 THR OG1 : rot 166:sc= 1.02 USER MOD Set 2.1: A 7 CYS SG : rot 160:sc= -3.02! USER MOD Set 2.2: A 12 CYS SG : rot 134:sc= -0.35! USER MOD Set 2.3: A 59 CYS SG : rot -58:sc= 1.27 USER MOD Set 2.4: A 62 HIS :FLIP no HD1:sc= -1.12 F(o=-4!,f=-3.2) USER MOD Single : A 6 THR OG1 : rot 29:sc= 0.427 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.37) USER MOD Single : A 28 TYR OH : rot 151:sc= -0.056 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0.971 K(o=0.97,f=0) USER MOD Single : A 43 THR OG1 : rot -170:sc= -0.614 USER MOD Single : A 54 SER OG : rot -84:sc= 0.42 USER MOD Single : A 55 GLN : amide:sc= -0.0366 X(o=-0.037,f=-0.25) USER MOD Single : A 60 SER OG : rot -82:sc= 0.82 USER MOD Single : A 68 LYS NZ :NH3+ -176:sc= 0.189 (180deg=0.18) USER MOD Single : A 69 LYS NZ :NH3+ -153:sc= 2.44 (180deg=2.14) USER MOD Single : A 79 THR OG1 : rot 72:sc= 1.16 USER MOD Single : A 82 LYS NZ :NH3+ -168:sc= 1.29 (180deg=1.01) USER MOD Single : A 83 GLN : amide:sc= 2.19 K(o=2.2,f=-4.3!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 6 8.187 -8.018 1.550 1.00 0.00 N ATOM 67 CA THR A 6 8.574 -7.657 0.199 1.00 0.00 C ATOM 68 C THR A 6 7.515 -6.752 -0.413 1.00 0.00 C ATOM 69 O THR A 6 6.321 -7.059 -0.347 1.00 0.00 O ATOM 70 CB THR A 6 8.761 -8.911 -0.686 1.00 0.00 C ATOM 71 OG1 THR A 6 9.324 -9.984 0.089 1.00 0.00 O ATOM 72 CG2 THR A 6 9.666 -8.611 -1.871 1.00 0.00 C ATOM 0 HA THR A 6 9.527 -7.130 0.248 1.00 0.00 H new ATOM 0 HB THR A 6 7.782 -9.208 -1.062 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.055 -9.887 1.026 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.781 -9.509 -2.477 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.223 -7.819 -2.476 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.643 -8.289 -1.510 1.00 0.00 H new ATOM 80 N CYS A 7 7.947 -5.622 -0.967 1.00 0.00 N ATOM 81 CA CYS A 7 7.028 -4.679 -1.578 1.00 0.00 C ATOM 82 C CYS A 7 6.309 -5.320 -2.754 1.00 0.00 C ATOM 83 O CYS A 7 6.916 -6.010 -3.579 1.00 0.00 O ATOM 84 CB CYS A 7 7.766 -3.420 -2.040 1.00 0.00 C ATOM 85 SG CYS A 7 6.671 -2.073 -2.612 1.00 0.00 S ATOM 0 H CYS A 7 8.927 -5.342 -1.003 1.00 0.00 H new ATOM 0 HA CYS A 7 6.291 -4.394 -0.827 1.00 0.00 H new ATOM 0 HB2 CYS A 7 8.379 -3.050 -1.218 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.446 -3.688 -2.849 1.00 0.00 H new ATOM 0 HG CYS A 7 7.318 -0.946 -2.583 1.00 0.00 H new ATOM 90 N GLY A 8 5.016 -5.085 -2.819 1.00 0.00 N ATOM 91 CA GLY A 8 4.220 -5.626 -3.892 1.00 0.00 C ATOM 92 C GLY A 8 3.939 -4.591 -4.950 1.00 0.00 C ATOM 93 O GLY A 8 3.160 -4.824 -5.872 1.00 0.00 O ATOM 0 H GLY A 8 4.498 -4.524 -2.142 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.739 -6.473 -4.340 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.279 -6.004 -3.493 1.00 0.00 H new ATOM 97 N PHE A 9 4.571 -3.438 -4.808 1.00 0.00 N ATOM 98 CA PHE A 9 4.409 -2.359 -5.759 1.00 0.00 C ATOM 99 C PHE A 9 5.297 -2.595 -6.973 1.00 0.00 C ATOM 100 O PHE A 9 6.320 -3.277 -6.868 1.00 0.00 O ATOM 101 CB PHE A 9 4.765 -1.023 -5.106 1.00 0.00 C ATOM 102 CG PHE A 9 3.671 -0.005 -5.204 1.00 0.00 C ATOM 103 CD1 PHE A 9 2.582 -0.052 -4.348 1.00 0.00 C ATOM 104 CD2 PHE A 9 3.725 0.991 -6.160 1.00 0.00 C ATOM 105 CE1 PHE A 9 1.568 0.876 -4.448 1.00 0.00 C ATOM 106 CE2 PHE A 9 2.715 1.922 -6.265 1.00 0.00 C ATOM 107 CZ PHE A 9 1.634 1.866 -5.410 1.00 0.00 C ATOM 0 H PHE A 9 5.204 -3.228 -4.037 1.00 0.00 H new ATOM 0 HA PHE A 9 3.368 -2.329 -6.081 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.002 -1.192 -4.055 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.665 -0.625 -5.576 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.527 -0.824 -3.595 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.569 1.040 -6.833 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.724 0.830 -3.776 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.770 2.696 -7.017 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.841 2.594 -5.492 1.00 0.00 H new ATOM 117 N PRO A 10 4.899 -2.083 -8.148 1.00 0.00 N ATOM 118 CA PRO A 10 5.749 -2.100 -9.341 1.00 0.00 C ATOM 119 C PRO A 10 7.033 -1.298 -9.126 1.00 0.00 C ATOM 120 O PRO A 10 7.112 -0.124 -9.497 1.00 0.00 O ATOM 121 CB PRO A 10 4.877 -1.453 -10.426 1.00 0.00 C ATOM 122 CG PRO A 10 3.813 -0.716 -9.690 1.00 0.00 C ATOM 123 CD PRO A 10 3.583 -1.481 -8.419 1.00 0.00 C ATOM 0 HA PRO A 10 6.074 -3.107 -9.602 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.463 -0.778 -11.050 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.448 -2.206 -11.087 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.122 0.308 -9.479 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.899 -0.657 -10.281 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.264 -0.827 -7.607 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.810 -2.240 -8.540 1.00 0.00 H new ATOM 131 N ASN A 11 8.015 -1.948 -8.498 1.00 0.00 N ATOM 132 CA ASN A 11 9.322 -1.355 -8.213 1.00 0.00 C ATOM 133 C ASN A 11 9.224 -0.283 -7.129 1.00 0.00 C ATOM 134 O ASN A 11 8.893 0.871 -7.411 1.00 0.00 O ATOM 135 CB ASN A 11 9.955 -0.765 -9.477 1.00 0.00 C ATOM 136 CG ASN A 11 11.443 -0.526 -9.316 1.00 0.00 C ATOM 137 OD1 ASN A 11 12.197 -1.441 -8.983 1.00 0.00 O ATOM 138 ND2 ASN A 11 11.874 0.703 -9.546 1.00 0.00 N ATOM 0 H ASN A 11 7.924 -2.910 -8.170 1.00 0.00 H new ATOM 0 HA ASN A 11 9.963 -2.158 -7.848 1.00 0.00 H new ATOM 0 HB2 ASN A 11 9.786 -1.441 -10.315 1.00 0.00 H new ATOM 0 HB3 ASN A 11 9.462 0.176 -9.722 1.00 0.00 H new ATOM 0 HD21 ASN A 11 12.865 0.922 -9.449 1.00 0.00 H new ATOM 0 HD22 ASN A 11 11.215 1.432 -9.820 1.00 0.00 H new ATOM 145 N CYS A 12 9.498 -0.677 -5.889 1.00 0.00 N ATOM 146 CA CYS A 12 9.516 0.257 -4.774 1.00 0.00 C ATOM 147 C CYS A 12 10.606 1.302 -4.963 1.00 0.00 C ATOM 148 O CYS A 12 11.800 1.006 -4.877 1.00 0.00 O ATOM 149 CB CYS A 12 9.737 -0.479 -3.450 1.00 0.00 C ATOM 150 SG CYS A 12 9.292 0.495 -1.973 1.00 0.00 S ATOM 0 H CYS A 12 9.711 -1.641 -5.633 1.00 0.00 H new ATOM 0 HA CYS A 12 8.547 0.755 -4.744 1.00 0.00 H new ATOM 0 HB2 CYS A 12 9.152 -1.398 -3.456 1.00 0.00 H new ATOM 0 HB3 CYS A 12 10.785 -0.769 -3.378 1.00 0.00 H new ATOM 0 HG CYS A 12 8.582 -0.238 -1.168 1.00 0.00 H new ATOM 155 N LYS A 13 10.185 2.522 -5.237 1.00 0.00 N ATOM 156 CA LYS A 13 11.109 3.633 -5.361 1.00 0.00 C ATOM 157 C LYS A 13 11.325 4.289 -4.005 1.00 0.00 C ATOM 158 O LYS A 13 12.112 5.222 -3.875 1.00 0.00 O ATOM 159 CB LYS A 13 10.587 4.661 -6.368 1.00 0.00 C ATOM 160 CG LYS A 13 9.146 5.083 -6.127 1.00 0.00 C ATOM 161 CD LYS A 13 8.717 6.175 -7.092 1.00 0.00 C ATOM 162 CE LYS A 13 7.903 5.610 -8.244 1.00 0.00 C ATOM 163 NZ LYS A 13 8.524 5.910 -9.562 1.00 0.00 N ATOM 0 H LYS A 13 9.206 2.769 -5.378 1.00 0.00 H new ATOM 0 HA LYS A 13 12.062 3.249 -5.724 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.225 5.544 -6.334 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.671 4.246 -7.372 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.490 4.220 -6.238 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.036 5.438 -5.102 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.127 6.922 -6.560 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.598 6.684 -7.483 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.807 4.531 -8.125 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.896 6.025 -8.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.938 5.508 -10.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.593 6.940 -9.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.476 5.492 -9.601 1.00 0.00 H new ATOM 177 N PHE A 14 10.628 3.784 -2.994 1.00 0.00 N ATOM 178 CA PHE A 14 10.656 4.402 -1.678 1.00 0.00 C ATOM 179 C PHE A 14 11.604 3.684 -0.730 1.00 0.00 C ATOM 180 O PHE A 14 12.368 4.330 -0.017 1.00 0.00 O ATOM 181 CB PHE A 14 9.251 4.458 -1.089 1.00 0.00 C ATOM 182 CG PHE A 14 8.550 5.738 -1.422 1.00 0.00 C ATOM 183 CD1 PHE A 14 7.897 5.883 -2.633 1.00 0.00 C ATOM 184 CD2 PHE A 14 8.558 6.802 -0.536 1.00 0.00 C ATOM 185 CE1 PHE A 14 7.266 7.064 -2.955 1.00 0.00 C ATOM 186 CE2 PHE A 14 7.929 7.989 -0.853 1.00 0.00 C ATOM 187 CZ PHE A 14 7.281 8.119 -2.064 1.00 0.00 C ATOM 0 H PHE A 14 10.040 2.953 -3.061 1.00 0.00 H new ATOM 0 HA PHE A 14 11.031 5.418 -1.802 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.667 3.618 -1.465 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.308 4.348 -0.006 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.882 5.061 -3.333 1.00 0.00 H new ATOM 0 HD2 PHE A 14 9.062 6.702 0.414 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.760 7.165 -3.904 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.944 8.813 -0.155 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.786 9.045 -2.315 1.00 0.00 H new ATOM 197 N ARG A 15 11.561 2.358 -0.712 1.00 0.00 N ATOM 198 CA ARG A 15 12.486 1.589 0.116 1.00 0.00 C ATOM 199 C ARG A 15 13.916 1.834 -0.348 1.00 0.00 C ATOM 200 O ARG A 15 14.818 2.116 0.446 1.00 0.00 O ATOM 201 CB ARG A 15 12.161 0.097 0.036 1.00 0.00 C ATOM 202 CG ARG A 15 11.570 -0.466 1.316 1.00 0.00 C ATOM 203 CD ARG A 15 10.525 -1.531 1.027 1.00 0.00 C ATOM 204 NE ARG A 15 11.090 -2.880 1.059 1.00 0.00 N ATOM 205 CZ ARG A 15 11.330 -3.613 -0.022 1.00 0.00 C ATOM 206 NH1 ARG A 15 11.018 -3.156 -1.229 1.00 0.00 N ATOM 207 NH2 ARG A 15 11.867 -4.818 0.118 1.00 0.00 N ATOM 0 H ARG A 15 10.904 1.796 -1.254 1.00 0.00 H new ATOM 0 HA ARG A 15 12.382 1.912 1.152 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.460 -0.070 -0.782 1.00 0.00 H new ATOM 0 HB3 ARG A 15 13.071 -0.452 -0.206 1.00 0.00 H new ATOM 0 HG2 ARG A 15 12.365 -0.892 1.928 1.00 0.00 H new ATOM 0 HG3 ARG A 15 11.119 0.340 1.895 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.721 -1.458 1.760 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.082 -1.347 0.048 1.00 0.00 H new ATOM 0 HE ARG A 15 11.314 -3.283 1.969 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.591 -2.235 -1.331 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.206 -3.725 -2.054 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.091 -5.172 1.048 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.056 -5.391 -0.705 1.00 0.00 H new ATOM 368 N ARG A 25 10.076 -0.232 8.615 1.00 0.00 N ATOM 369 CA ARG A 25 8.899 0.615 8.572 1.00 0.00 C ATOM 370 C ARG A 25 7.692 -0.179 9.063 1.00 0.00 C ATOM 371 O ARG A 25 7.793 -0.922 10.041 1.00 0.00 O ATOM 372 CB ARG A 25 8.691 1.114 7.136 1.00 0.00 C ATOM 373 CG ARG A 25 8.177 2.540 7.046 1.00 0.00 C ATOM 374 CD ARG A 25 8.681 3.232 5.790 1.00 0.00 C ATOM 375 NE ARG A 25 9.871 4.041 6.052 1.00 0.00 N ATOM 376 CZ ARG A 25 9.835 5.327 6.403 1.00 0.00 C ATOM 377 NH1 ARG A 25 8.673 5.964 6.498 1.00 0.00 N ATOM 378 NH2 ARG A 25 10.966 5.975 6.651 1.00 0.00 N ATOM 0 HA ARG A 25 9.027 1.481 9.222 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.636 1.045 6.598 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.987 0.452 6.631 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.087 2.537 7.049 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.496 3.100 7.925 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.911 2.484 5.031 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.893 3.866 5.384 1.00 0.00 H new ATOM 0 HE ARG A 25 10.784 3.595 5.961 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.803 5.469 6.302 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.651 6.948 6.767 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.860 5.489 6.573 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.942 6.959 6.920 1.00 0.00 H new ATOM 392 N HIS A 26 6.560 -0.028 8.395 1.00 0.00 N ATOM 393 CA HIS A 26 5.384 -0.828 8.689 1.00 0.00 C ATOM 394 C HIS A 26 4.749 -1.298 7.395 1.00 0.00 C ATOM 395 O HIS A 26 4.200 -0.501 6.637 1.00 0.00 O ATOM 396 CB HIS A 26 4.359 -0.025 9.476 1.00 0.00 C ATOM 397 CG HIS A 26 3.477 -0.851 10.361 1.00 0.00 C ATOM 398 ND1 HIS A 26 3.958 -1.942 11.041 1.00 0.00 N ATOM 399 CD2 HIS A 26 2.157 -0.709 10.633 1.00 0.00 C ATOM 400 CE1 HIS A 26 2.927 -2.437 11.707 1.00 0.00 C ATOM 401 NE2 HIS A 26 1.815 -1.724 11.491 1.00 0.00 N ATOM 0 H HIS A 26 6.431 0.646 7.641 1.00 0.00 H new ATOM 0 HA HIS A 26 5.698 -1.683 9.288 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.882 0.710 10.088 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.734 0.530 8.776 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.500 0.057 10.248 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.977 -3.307 12.345 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.892 -1.901 11.887 1.00 0.00 H new ATOM 409 N PHE A 27 4.818 -2.581 7.147 1.00 0.00 N ATOM 410 CA PHE A 27 4.274 -3.132 5.923 1.00 0.00 C ATOM 411 C PHE A 27 2.790 -3.402 6.093 1.00 0.00 C ATOM 412 O PHE A 27 2.381 -4.252 6.889 1.00 0.00 O ATOM 413 CB PHE A 27 5.023 -4.397 5.504 1.00 0.00 C ATOM 414 CG PHE A 27 6.097 -4.129 4.488 1.00 0.00 C ATOM 415 CD1 PHE A 27 7.003 -3.099 4.679 1.00 0.00 C ATOM 416 CD2 PHE A 27 6.197 -4.897 3.341 1.00 0.00 C ATOM 417 CE1 PHE A 27 7.988 -2.844 3.749 1.00 0.00 C ATOM 418 CE2 PHE A 27 7.179 -4.647 2.406 1.00 0.00 C ATOM 419 CZ PHE A 27 8.076 -3.618 2.610 1.00 0.00 C ATOM 0 H PHE A 27 5.244 -3.266 7.772 1.00 0.00 H new ATOM 0 HA PHE A 27 4.405 -2.402 5.125 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.470 -4.858 6.385 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.313 -5.115 5.094 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.937 -2.488 5.567 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.497 -5.703 3.176 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.690 -2.039 3.912 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.246 -5.255 1.516 1.00 0.00 H new ATOM 0 HZ PHE A 27 8.846 -3.419 1.879 1.00 0.00 H new ATOM 429 N TYR A 28 1.995 -2.665 5.346 1.00 0.00 N ATOM 430 CA TYR A 28 0.557 -2.699 5.493 1.00 0.00 C ATOM 431 C TYR A 28 -0.039 -3.911 4.807 1.00 0.00 C ATOM 432 O TYR A 28 0.333 -4.252 3.681 1.00 0.00 O ATOM 433 CB TYR A 28 -0.056 -1.429 4.910 1.00 0.00 C ATOM 434 CG TYR A 28 -0.007 -0.245 5.846 1.00 0.00 C ATOM 435 CD1 TYR A 28 -0.221 -0.400 7.210 1.00 0.00 C ATOM 436 CD2 TYR A 28 0.240 1.030 5.361 1.00 0.00 C ATOM 437 CE1 TYR A 28 -0.186 0.685 8.064 1.00 0.00 C ATOM 438 CE2 TYR A 28 0.273 2.120 6.208 1.00 0.00 C ATOM 439 CZ TYR A 28 0.060 1.942 7.557 1.00 0.00 C ATOM 440 OH TYR A 28 0.083 3.028 8.400 1.00 0.00 O ATOM 0 H TYR A 28 2.327 -2.028 4.622 1.00 0.00 H new ATOM 0 HA TYR A 28 0.330 -2.762 6.557 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.467 -1.174 3.988 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.094 -1.627 4.643 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.418 -1.384 7.609 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.409 1.173 4.304 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.350 0.549 9.123 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.465 3.107 5.815 1.00 0.00 H new ATOM 0 HH TYR A 28 0.693 3.707 8.043 1.00 0.00 H new ATOM 450 N ARG A 29 -0.956 -4.563 5.501 1.00 0.00 N ATOM 451 CA ARG A 29 -1.694 -5.678 4.933 1.00 0.00 C ATOM 452 C ARG A 29 -2.875 -5.135 4.148 1.00 0.00 C ATOM 453 O ARG A 29 -3.483 -4.136 4.550 1.00 0.00 O ATOM 454 CB ARG A 29 -2.182 -6.635 6.028 1.00 0.00 C ATOM 455 CG ARG A 29 -1.501 -6.442 7.372 1.00 0.00 C ATOM 456 CD ARG A 29 -0.114 -7.063 7.396 1.00 0.00 C ATOM 457 NE ARG A 29 0.249 -7.521 8.736 1.00 0.00 N ATOM 458 CZ ARG A 29 1.087 -6.878 9.547 1.00 0.00 C ATOM 459 NH1 ARG A 29 1.713 -5.781 9.137 1.00 0.00 N ATOM 460 NH2 ARG A 29 1.323 -7.350 10.763 1.00 0.00 N ATOM 0 H ARG A 29 -1.208 -4.338 6.463 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.034 -6.241 4.273 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.257 -6.505 6.156 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.022 -7.661 5.696 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.426 -5.377 7.592 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.112 -6.888 8.157 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.079 -7.903 6.702 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.618 -6.333 7.050 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.167 -8.390 9.072 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.554 -5.425 8.195 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.353 -5.294 9.765 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.863 -8.205 11.076 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.965 -6.859 11.385 1.00 0.00 H new ATOM 474 N ILE A 30 -3.186 -5.773 3.032 1.00 0.00 N ATOM 475 CA ILE A 30 -4.262 -5.312 2.169 1.00 0.00 C ATOM 476 C ILE A 30 -5.594 -5.360 2.896 1.00 0.00 C ATOM 477 O ILE A 30 -5.969 -6.387 3.465 1.00 0.00 O ATOM 478 CB ILE A 30 -4.366 -6.144 0.876 1.00 0.00 C ATOM 479 CG1 ILE A 30 -2.979 -6.431 0.314 1.00 0.00 C ATOM 480 CG2 ILE A 30 -5.220 -5.425 -0.161 1.00 0.00 C ATOM 481 CD1 ILE A 30 -2.765 -7.887 -0.003 1.00 0.00 C ATOM 0 H ILE A 30 -2.709 -6.612 2.702 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.025 -4.283 1.899 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.846 -7.092 1.118 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.830 -5.842 -0.591 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.227 -6.107 1.033 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.280 -6.030 -1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.222 -5.269 0.238 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.770 -4.461 -0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.760 -8.029 -0.400 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.884 -8.478 0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.496 -8.209 -0.744 1.00 0.00 H new ATOM 493 N PRO A 31 -6.305 -4.229 2.909 1.00 0.00 N ATOM 494 CA PRO A 31 -7.637 -4.126 3.505 1.00 0.00 C ATOM 495 C PRO A 31 -8.606 -5.148 2.925 1.00 0.00 C ATOM 496 O PRO A 31 -8.463 -5.577 1.782 1.00 0.00 O ATOM 497 CB PRO A 31 -8.073 -2.708 3.127 1.00 0.00 C ATOM 498 CG PRO A 31 -6.800 -1.963 2.960 1.00 0.00 C ATOM 499 CD PRO A 31 -5.861 -2.947 2.344 1.00 0.00 C ATOM 0 HA PRO A 31 -7.626 -4.318 4.578 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.659 -2.704 2.208 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.695 -2.263 3.904 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.933 -1.090 2.321 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.424 -1.603 3.918 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.927 -2.941 1.256 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.824 -2.730 2.601 1.00 0.00 H new ATOM 507 N LYS A 32 -9.583 -5.544 3.719 1.00 0.00 N ATOM 508 CA LYS A 32 -10.614 -6.460 3.253 1.00 0.00 C ATOM 509 C LYS A 32 -11.983 -5.897 3.588 1.00 0.00 C ATOM 510 O LYS A 32 -13.011 -6.545 3.391 1.00 0.00 O ATOM 511 CB LYS A 32 -10.433 -7.843 3.880 1.00 0.00 C ATOM 512 CG LYS A 32 -9.565 -8.778 3.051 1.00 0.00 C ATOM 513 CD LYS A 32 -9.431 -10.144 3.703 1.00 0.00 C ATOM 514 CE LYS A 32 -10.652 -11.007 3.437 1.00 0.00 C ATOM 515 NZ LYS A 32 -10.728 -12.168 4.360 1.00 0.00 N ATOM 0 H LYS A 32 -9.687 -5.248 4.689 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.528 -6.569 2.172 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.989 -7.729 4.869 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.413 -8.300 4.021 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.997 -8.890 2.057 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.576 -8.338 2.921 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.540 -10.644 3.323 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.295 -10.024 4.778 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.553 -10.402 3.541 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.626 -11.364 2.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.576 -12.729 4.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.881 -12.761 4.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.780 -11.828 5.342 1.00 0.00 H new ATOM 529 N ARG A 33 -11.964 -4.674 4.083 1.00 0.00 N ATOM 530 CA ARG A 33 -13.165 -3.963 4.487 1.00 0.00 C ATOM 531 C ARG A 33 -12.882 -2.464 4.502 1.00 0.00 C ATOM 532 O ARG A 33 -12.015 -2.004 5.246 1.00 0.00 O ATOM 533 CB ARG A 33 -13.621 -4.436 5.873 1.00 0.00 C ATOM 534 CG ARG A 33 -14.506 -3.442 6.610 1.00 0.00 C ATOM 535 CD ARG A 33 -14.153 -3.376 8.087 1.00 0.00 C ATOM 536 NE ARG A 33 -14.581 -2.119 8.699 1.00 0.00 N ATOM 537 CZ ARG A 33 -15.767 -1.933 9.280 1.00 0.00 C ATOM 538 NH1 ARG A 33 -16.665 -2.909 9.301 1.00 0.00 N ATOM 539 NH2 ARG A 33 -16.059 -0.762 9.836 1.00 0.00 N ATOM 0 H ARG A 33 -11.106 -4.139 4.218 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.965 -4.170 3.776 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -14.162 -5.376 5.764 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.741 -4.643 6.482 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.396 -2.454 6.163 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -15.551 -3.729 6.496 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.621 -4.211 8.609 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.076 -3.489 8.207 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.930 -1.334 8.680 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.450 -3.809 8.871 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -17.570 -2.760 9.747 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -15.376 -0.005 9.819 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.966 -0.620 10.280 1.00 0.00 H new ATOM 553 N PRO A 34 -13.568 -1.690 3.649 1.00 0.00 N ATOM 554 CA PRO A 34 -14.523 -2.218 2.671 1.00 0.00 C ATOM 555 C PRO A 34 -13.827 -2.904 1.495 1.00 0.00 C ATOM 556 O PRO A 34 -12.653 -2.647 1.218 1.00 0.00 O ATOM 557 CB PRO A 34 -15.282 -0.972 2.185 1.00 0.00 C ATOM 558 CG PRO A 34 -14.842 0.149 3.070 1.00 0.00 C ATOM 559 CD PRO A 34 -13.486 -0.230 3.582 1.00 0.00 C ATOM 0 HA PRO A 34 -15.169 -2.978 3.111 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -15.053 -0.758 1.141 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -16.360 -1.121 2.251 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -14.801 1.088 2.518 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -15.542 0.293 3.893 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -12.692 0.101 2.912 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.284 0.210 4.558 1.00 0.00 H new ATOM 567 N LEU A 35 -14.561 -3.773 0.809 1.00 0.00 N ATOM 568 CA LEU A 35 -14.025 -4.510 -0.330 1.00 0.00 C ATOM 569 C LEU A 35 -13.595 -3.561 -1.442 1.00 0.00 C ATOM 570 O LEU A 35 -12.620 -3.819 -2.147 1.00 0.00 O ATOM 571 CB LEU A 35 -15.064 -5.495 -0.860 1.00 0.00 C ATOM 572 CG LEU A 35 -14.608 -6.953 -0.895 1.00 0.00 C ATOM 573 CD1 LEU A 35 -15.738 -7.878 -0.471 1.00 0.00 C ATOM 574 CD2 LEU A 35 -14.104 -7.321 -2.281 1.00 0.00 C ATOM 0 H LEU A 35 -15.535 -3.985 1.024 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.149 -5.063 0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -15.959 -5.424 -0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.348 -5.194 -1.868 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.786 -7.073 -0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.393 -8.912 -0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -16.050 -7.630 0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -16.582 -7.756 -1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.784 -8.363 -2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -14.905 -7.184 -3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.262 -6.681 -2.544 1.00 0.00 H new ATOM 586 N ILE A 36 -14.317 -2.458 -1.589 1.00 0.00 N ATOM 587 CA ILE A 36 -13.988 -1.465 -2.602 1.00 0.00 C ATOM 588 C ILE A 36 -12.664 -0.776 -2.280 1.00 0.00 C ATOM 589 O ILE A 36 -11.874 -0.502 -3.176 1.00 0.00 O ATOM 590 CB ILE A 36 -15.126 -0.425 -2.766 1.00 0.00 C ATOM 591 CG1 ILE A 36 -16.207 -0.987 -3.697 1.00 0.00 C ATOM 592 CG2 ILE A 36 -14.605 0.905 -3.307 1.00 0.00 C ATOM 593 CD1 ILE A 36 -15.652 -1.773 -4.872 1.00 0.00 C ATOM 0 H ILE A 36 -15.133 -2.229 -1.021 1.00 0.00 H new ATOM 0 HA ILE A 36 -13.878 -1.987 -3.552 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.552 -0.233 -1.781 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.871 -1.632 -3.121 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -16.812 -0.163 -4.076 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -15.433 1.606 -3.407 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -13.865 1.313 -2.618 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.144 0.746 -4.282 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -16.475 -2.139 -5.486 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -15.011 -1.127 -5.472 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.071 -2.618 -4.503 1.00 0.00 H new ATOM 605 N LEU A 37 -12.410 -0.523 -0.998 1.00 0.00 N ATOM 606 CA LEU A 37 -11.128 0.039 -0.583 1.00 0.00 C ATOM 607 C LEU A 37 -10.012 -0.942 -0.914 1.00 0.00 C ATOM 608 O LEU A 37 -8.953 -0.554 -1.403 1.00 0.00 O ATOM 609 CB LEU A 37 -11.129 0.367 0.913 1.00 0.00 C ATOM 610 CG LEU A 37 -9.746 0.423 1.565 1.00 0.00 C ATOM 611 CD1 LEU A 37 -9.075 1.762 1.307 1.00 0.00 C ATOM 612 CD2 LEU A 37 -9.850 0.163 3.055 1.00 0.00 C ATOM 0 H LEU A 37 -13.067 -0.696 -0.237 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.962 0.970 -1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.621 1.329 1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.729 -0.380 1.433 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.131 -0.357 1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.094 1.775 1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.961 1.911 0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.689 2.562 1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.857 0.207 3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.488 0.919 3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.280 -0.824 3.223 1.00 0.00 H new ATOM 624 N ARG A 38 -10.276 -2.215 -0.656 1.00 0.00 N ATOM 625 CA ARG A 38 -9.357 -3.282 -1.020 1.00 0.00 C ATOM 626 C ARG A 38 -9.085 -3.264 -2.522 1.00 0.00 C ATOM 627 O ARG A 38 -7.936 -3.259 -2.949 1.00 0.00 O ATOM 628 CB ARG A 38 -9.943 -4.630 -0.593 1.00 0.00 C ATOM 629 CG ARG A 38 -9.385 -5.826 -1.350 1.00 0.00 C ATOM 630 CD ARG A 38 -10.266 -7.053 -1.174 1.00 0.00 C ATOM 631 NE ARG A 38 -9.901 -8.127 -2.097 1.00 0.00 N ATOM 632 CZ ARG A 38 -10.154 -9.415 -1.885 1.00 0.00 C ATOM 633 NH1 ARG A 38 -10.857 -9.804 -0.827 1.00 0.00 N ATOM 634 NH2 ARG A 38 -9.728 -10.314 -2.760 1.00 0.00 N ATOM 0 H ARG A 38 -11.126 -2.535 -0.192 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.409 -3.129 -0.505 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.759 -4.771 0.472 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.024 -4.602 -0.729 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.304 -5.583 -2.409 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.378 -6.045 -0.996 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.185 -7.413 -0.148 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.308 -6.777 -1.333 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.421 -7.871 -2.960 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.209 -9.112 -0.166 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.044 -10.795 -0.676 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.211 -10.016 -3.587 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.917 -11.305 -2.606 1.00 0.00 H new ATOM 648 N GLN A 39 -10.152 -3.226 -3.311 1.00 0.00 N ATOM 649 CA GLN A 39 -10.049 -3.204 -4.763 1.00 0.00 C ATOM 650 C GLN A 39 -9.320 -1.952 -5.243 1.00 0.00 C ATOM 651 O GLN A 39 -8.567 -1.995 -6.214 1.00 0.00 O ATOM 652 CB GLN A 39 -11.447 -3.244 -5.368 1.00 0.00 C ATOM 653 CG GLN A 39 -11.673 -4.398 -6.323 1.00 0.00 C ATOM 654 CD GLN A 39 -13.005 -5.078 -6.089 1.00 0.00 C ATOM 655 OE1 GLN A 39 -14.062 -4.491 -6.321 1.00 0.00 O ATOM 656 NE2 GLN A 39 -12.965 -6.315 -5.631 1.00 0.00 N ATOM 0 H GLN A 39 -11.110 -3.210 -2.962 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.478 -4.076 -5.083 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.179 -3.304 -4.562 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.630 -2.308 -5.896 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.628 -4.033 -7.349 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -10.870 -5.126 -6.208 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.067 -6.764 -5.452 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.832 -6.822 -5.456 1.00 0.00 H new ATOM 665 N ARG A 40 -9.550 -0.841 -4.553 1.00 0.00 N ATOM 666 CA ARG A 40 -8.911 0.425 -4.889 1.00 0.00 C ATOM 667 C ARG A 40 -7.412 0.357 -4.624 1.00 0.00 C ATOM 668 O ARG A 40 -6.630 1.076 -5.245 1.00 0.00 O ATOM 669 CB ARG A 40 -9.536 1.567 -4.088 1.00 0.00 C ATOM 670 CG ARG A 40 -10.839 2.083 -4.671 1.00 0.00 C ATOM 671 CD ARG A 40 -10.618 3.303 -5.544 1.00 0.00 C ATOM 672 NE ARG A 40 -11.477 3.290 -6.726 1.00 0.00 N ATOM 673 CZ ARG A 40 -11.527 4.273 -7.623 1.00 0.00 C ATOM 674 NH1 ARG A 40 -10.797 5.372 -7.461 1.00 0.00 N ATOM 675 NH2 ARG A 40 -12.315 4.166 -8.681 1.00 0.00 N ATOM 0 H ARG A 40 -10.179 -0.792 -3.752 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.067 0.615 -5.951 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.715 1.227 -3.068 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.824 2.390 -4.030 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.312 1.296 -5.258 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.526 2.334 -3.862 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.813 4.205 -4.964 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.574 3.343 -5.854 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.076 2.477 -6.873 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.193 5.467 -6.645 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.841 6.120 -8.153 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.885 3.330 -8.810 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.352 4.920 -9.367 1.00 0.00 H new ATOM 689 N TRP A 41 -7.021 -0.512 -3.704 1.00 0.00 N ATOM 690 CA TRP A 41 -5.616 -0.762 -3.434 1.00 0.00 C ATOM 691 C TRP A 41 -4.970 -1.360 -4.678 1.00 0.00 C ATOM 692 O TRP A 41 -3.971 -0.850 -5.186 1.00 0.00 O ATOM 693 CB TRP A 41 -5.480 -1.707 -2.236 1.00 0.00 C ATOM 694 CG TRP A 41 -5.245 -0.990 -0.953 1.00 0.00 C ATOM 695 CD1 TRP A 41 -6.015 -0.009 -0.402 1.00 0.00 C ATOM 696 CD2 TRP A 41 -4.149 -1.196 -0.066 1.00 0.00 C ATOM 697 NE1 TRP A 41 -5.458 0.411 0.780 1.00 0.00 N ATOM 698 CE2 TRP A 41 -4.310 -0.303 1.006 1.00 0.00 C ATOM 699 CE3 TRP A 41 -3.045 -2.052 -0.074 1.00 0.00 C ATOM 700 CZ2 TRP A 41 -3.410 -0.241 2.057 1.00 0.00 C ATOM 701 CZ3 TRP A 41 -2.147 -1.985 0.969 1.00 0.00 C ATOM 702 CH2 TRP A 41 -2.338 -1.085 2.021 1.00 0.00 C ATOM 0 H TRP A 41 -7.663 -1.058 -3.129 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.109 0.171 -3.189 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.385 -2.308 -2.150 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.656 -2.397 -2.416 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.927 0.379 -0.831 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -5.836 1.136 1.390 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.898 -2.753 -0.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -3.551 0.450 2.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.285 -2.636 0.974 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.619 -1.057 2.826 1.00 0.00 H new ATOM 713 N LEU A 42 -5.575 -2.435 -5.172 1.00 0.00 N ATOM 714 CA LEU A 42 -5.187 -3.065 -6.421 1.00 0.00 C ATOM 715 C LEU A 42 -5.174 -2.086 -7.601 1.00 0.00 C ATOM 716 O LEU A 42 -4.446 -2.294 -8.568 1.00 0.00 O ATOM 717 CB LEU A 42 -6.145 -4.215 -6.705 1.00 0.00 C ATOM 718 CG LEU A 42 -5.953 -5.417 -5.789 1.00 0.00 C ATOM 719 CD1 LEU A 42 -6.985 -5.445 -4.690 1.00 0.00 C ATOM 720 CD2 LEU A 42 -6.017 -6.701 -6.580 1.00 0.00 C ATOM 0 H LEU A 42 -6.358 -2.896 -4.708 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.166 -3.430 -6.311 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.169 -3.855 -6.606 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.018 -4.534 -7.739 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.968 -5.324 -5.331 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.818 -6.316 -4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.903 -4.538 -4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.982 -5.501 -5.128 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.878 -7.549 -5.909 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.989 -6.780 -7.068 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.231 -6.703 -7.335 1.00 0.00 H new ATOM 732 N THR A 43 -5.969 -1.024 -7.515 1.00 0.00 N ATOM 733 CA THR A 43 -6.048 -0.023 -8.577 1.00 0.00 C ATOM 734 C THR A 43 -4.683 0.626 -8.839 1.00 0.00 C ATOM 735 O THR A 43 -4.327 0.910 -9.985 1.00 0.00 O ATOM 736 CB THR A 43 -7.087 1.066 -8.221 1.00 0.00 C ATOM 737 OG1 THR A 43 -8.395 0.479 -8.154 1.00 0.00 O ATOM 738 CG2 THR A 43 -7.090 2.204 -9.235 1.00 0.00 C ATOM 0 H THR A 43 -6.572 -0.832 -6.715 1.00 0.00 H new ATOM 0 HA THR A 43 -6.363 -0.535 -9.486 1.00 0.00 H new ATOM 0 HB THR A 43 -6.811 1.484 -7.253 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.068 1.188 -8.086 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.834 2.946 -8.947 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.105 2.669 -9.262 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.333 1.811 -10.222 1.00 0.00 H new ATOM 746 N ALA A 44 -3.912 0.835 -7.780 1.00 0.00 N ATOM 747 CA ALA A 44 -2.618 1.493 -7.904 1.00 0.00 C ATOM 748 C ALA A 44 -1.528 0.512 -8.320 1.00 0.00 C ATOM 749 O ALA A 44 -0.688 0.824 -9.163 1.00 0.00 O ATOM 750 CB ALA A 44 -2.250 2.172 -6.597 1.00 0.00 C ATOM 0 H ALA A 44 -4.159 0.560 -6.829 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.699 2.247 -8.687 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.281 2.661 -6.701 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.007 2.916 -6.348 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.198 1.428 -5.802 1.00 0.00 H new ATOM 756 N ILE A 45 -1.550 -0.679 -7.737 1.00 0.00 N ATOM 757 CA ILE A 45 -0.526 -1.683 -8.024 1.00 0.00 C ATOM 758 C ILE A 45 -0.799 -2.404 -9.338 1.00 0.00 C ATOM 759 O ILE A 45 0.102 -3.001 -9.925 1.00 0.00 O ATOM 760 CB ILE A 45 -0.403 -2.738 -6.902 1.00 0.00 C ATOM 761 CG1 ILE A 45 -1.598 -2.676 -5.951 1.00 0.00 C ATOM 762 CG2 ILE A 45 0.890 -2.537 -6.138 1.00 0.00 C ATOM 763 CD1 ILE A 45 -1.785 -3.929 -5.124 1.00 0.00 C ATOM 0 H ILE A 45 -2.259 -0.975 -7.066 1.00 0.00 H new ATOM 0 HA ILE A 45 0.412 -1.132 -8.094 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.394 -3.725 -7.364 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.474 -1.825 -5.281 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.503 -2.496 -6.531 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.967 -3.286 -5.350 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.735 -2.639 -6.819 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.900 -1.541 -5.695 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.652 -3.810 -4.474 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.942 -4.781 -5.785 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.896 -4.100 -4.516 1.00 0.00 H new ATOM 775 N GLY A 46 -2.046 -2.353 -9.789 1.00 0.00 N ATOM 776 CA GLY A 46 -2.429 -3.039 -11.009 1.00 0.00 C ATOM 777 C GLY A 46 -2.357 -4.541 -10.848 1.00 0.00 C ATOM 778 O GLY A 46 -2.004 -5.262 -11.781 1.00 0.00 O ATOM 0 H GLY A 46 -2.803 -1.846 -9.329 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.443 -2.750 -11.287 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.774 -2.728 -11.823 1.00 0.00 H new ATOM 782 N ARG A 47 -2.684 -5.010 -9.652 1.00 0.00 N ATOM 783 CA ARG A 47 -2.577 -6.422 -9.331 1.00 0.00 C ATOM 784 C ARG A 47 -3.933 -7.113 -9.415 1.00 0.00 C ATOM 785 O ARG A 47 -4.966 -6.460 -9.553 1.00 0.00 O ATOM 786 CB ARG A 47 -1.985 -6.598 -7.930 1.00 0.00 C ATOM 787 CG ARG A 47 -0.868 -7.628 -7.873 1.00 0.00 C ATOM 788 CD ARG A 47 0.480 -6.983 -7.582 1.00 0.00 C ATOM 789 NE ARG A 47 0.990 -6.212 -8.722 1.00 0.00 N ATOM 790 CZ ARG A 47 2.291 -6.027 -8.983 1.00 0.00 C ATOM 791 NH1 ARG A 47 3.218 -6.546 -8.186 1.00 0.00 N ATOM 792 NH2 ARG A 47 2.664 -5.332 -10.051 1.00 0.00 N ATOM 0 H ARG A 47 -3.027 -4.429 -8.887 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.916 -6.885 -10.063 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.603 -5.638 -7.582 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.778 -6.894 -7.243 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.092 -8.365 -7.102 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.818 -8.163 -8.821 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.386 -6.327 -6.716 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.201 -7.757 -7.319 1.00 0.00 H new ATOM 0 HE ARG A 47 0.311 -5.790 -9.356 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.941 -7.090 -7.369 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.207 -6.401 -8.391 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.960 -4.938 -10.674 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.655 -5.192 -10.248 1.00 0.00 H new ATOM 806 N THR A 48 -3.909 -8.434 -9.336 1.00 0.00 N ATOM 807 CA THR A 48 -5.123 -9.230 -9.321 1.00 0.00 C ATOM 808 C THR A 48 -5.397 -9.727 -7.903 1.00 0.00 C ATOM 809 O THR A 48 -4.517 -9.664 -7.046 1.00 0.00 O ATOM 810 CB THR A 48 -5.004 -10.422 -10.283 1.00 0.00 C ATOM 811 OG1 THR A 48 -3.686 -10.445 -10.857 1.00 0.00 O ATOM 812 CG2 THR A 48 -6.048 -10.332 -11.387 1.00 0.00 C ATOM 0 H THR A 48 -3.050 -8.982 -9.281 1.00 0.00 H new ATOM 0 HA THR A 48 -5.953 -8.605 -9.651 1.00 0.00 H new ATOM 0 HB THR A 48 -5.176 -11.341 -9.723 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.657 -11.103 -11.583 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.945 -11.186 -12.056 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.045 -10.335 -10.946 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.903 -9.410 -11.951 1.00 0.00 H new ATOM 820 N GLU A 49 -6.597 -10.238 -7.665 1.00 0.00 N ATOM 821 CA GLU A 49 -7.053 -10.535 -6.308 1.00 0.00 C ATOM 822 C GLU A 49 -6.237 -11.647 -5.651 1.00 0.00 C ATOM 823 O GLU A 49 -5.719 -11.473 -4.552 1.00 0.00 O ATOM 824 CB GLU A 49 -8.540 -10.897 -6.317 1.00 0.00 C ATOM 825 CG GLU A 49 -9.440 -9.766 -6.800 1.00 0.00 C ATOM 826 CD GLU A 49 -9.759 -8.758 -5.711 1.00 0.00 C ATOM 827 OE1 GLU A 49 -8.978 -8.660 -4.743 1.00 0.00 O ATOM 828 OE2 GLU A 49 -10.798 -8.070 -5.819 1.00 0.00 O ATOM 0 H GLU A 49 -7.276 -10.457 -8.394 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.904 -9.635 -5.712 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.690 -11.767 -6.956 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.841 -11.185 -5.310 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.956 -9.254 -7.632 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.370 -10.187 -7.182 1.00 0.00 H new ATOM 835 N GLU A 50 -6.090 -12.778 -6.326 1.00 0.00 N ATOM 836 CA GLU A 50 -5.365 -13.903 -5.742 1.00 0.00 C ATOM 837 C GLU A 50 -3.862 -13.687 -5.851 1.00 0.00 C ATOM 838 O GLU A 50 -3.069 -14.395 -5.230 1.00 0.00 O ATOM 839 CB GLU A 50 -5.755 -15.209 -6.425 1.00 0.00 C ATOM 840 CG GLU A 50 -6.250 -16.269 -5.459 1.00 0.00 C ATOM 841 CD GLU A 50 -7.739 -16.498 -5.570 1.00 0.00 C ATOM 842 OE1 GLU A 50 -8.308 -16.195 -6.639 1.00 0.00 O ATOM 843 OE2 GLU A 50 -8.348 -16.997 -4.600 1.00 0.00 O ATOM 0 H GLU A 50 -6.456 -12.943 -7.264 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.634 -13.967 -4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.533 -15.007 -7.161 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.894 -15.597 -6.969 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.726 -17.205 -5.651 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.006 -15.970 -4.440 1.00 0.00 H new ATOM 850 N THR A 51 -3.483 -12.697 -6.637 1.00 0.00 N ATOM 851 CA THR A 51 -2.088 -12.355 -6.822 1.00 0.00 C ATOM 852 C THR A 51 -1.646 -11.308 -5.800 1.00 0.00 C ATOM 853 O THR A 51 -0.457 -11.144 -5.533 1.00 0.00 O ATOM 854 CB THR A 51 -1.855 -11.829 -8.247 1.00 0.00 C ATOM 855 OG1 THR A 51 -2.936 -12.254 -9.088 1.00 0.00 O ATOM 856 CG2 THR A 51 -0.542 -12.339 -8.815 1.00 0.00 C ATOM 0 H THR A 51 -4.131 -12.110 -7.162 1.00 0.00 H new ATOM 0 HA THR A 51 -1.493 -13.256 -6.673 1.00 0.00 H new ATOM 0 HB THR A 51 -1.809 -10.741 -8.210 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.918 -11.746 -9.926 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.406 -11.949 -9.824 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.282 -12.006 -8.183 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.558 -13.428 -8.846 1.00 0.00 H new ATOM 864 N VAL A 52 -2.616 -10.605 -5.222 1.00 0.00 N ATOM 865 CA VAL A 52 -2.322 -9.579 -4.232 1.00 0.00 C ATOM 866 C VAL A 52 -2.348 -10.157 -2.822 1.00 0.00 C ATOM 867 O VAL A 52 -1.559 -9.772 -1.968 1.00 0.00 O ATOM 868 CB VAL A 52 -3.296 -8.372 -4.350 1.00 0.00 C ATOM 869 CG1 VAL A 52 -4.659 -8.681 -3.752 1.00 0.00 C ATOM 870 CG2 VAL A 52 -2.706 -7.127 -3.703 1.00 0.00 C ATOM 0 H VAL A 52 -3.608 -10.728 -5.423 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.316 -9.212 -4.434 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.435 -8.180 -5.414 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.308 -7.811 -3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.102 -9.528 -4.275 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.546 -8.925 -2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.408 -6.299 -3.800 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.517 -7.320 -2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.770 -6.869 -4.198 1.00 0.00 H new ATOM 880 N VAL A 53 -3.211 -11.130 -2.602 1.00 0.00 N ATOM 881 CA VAL A 53 -3.428 -11.654 -1.258 1.00 0.00 C ATOM 882 C VAL A 53 -2.464 -12.790 -0.915 1.00 0.00 C ATOM 883 O VAL A 53 -2.707 -13.555 0.015 1.00 0.00 O ATOM 884 CB VAL A 53 -4.879 -12.151 -1.057 1.00 0.00 C ATOM 885 CG1 VAL A 53 -5.867 -11.007 -1.202 1.00 0.00 C ATOM 886 CG2 VAL A 53 -5.209 -13.275 -2.026 1.00 0.00 C ATOM 0 H VAL A 53 -3.772 -11.575 -3.328 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.240 -10.817 -0.585 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.962 -12.545 -0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.880 -11.381 -1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.651 -10.243 -0.455 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.779 -10.575 -2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.235 -13.606 -1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.101 -12.916 -3.050 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.528 -14.110 -1.861 1.00 0.00 H new ATOM 896 N SER A 54 -1.373 -12.901 -1.656 1.00 0.00 N ATOM 897 CA SER A 54 -0.412 -13.967 -1.418 1.00 0.00 C ATOM 898 C SER A 54 0.762 -13.482 -0.562 1.00 0.00 C ATOM 899 O SER A 54 0.777 -13.683 0.654 1.00 0.00 O ATOM 900 CB SER A 54 0.083 -14.524 -2.750 1.00 0.00 C ATOM 901 OG SER A 54 -0.701 -14.026 -3.824 1.00 0.00 O ATOM 0 H SER A 54 -1.132 -12.272 -2.422 1.00 0.00 H new ATOM 0 HA SER A 54 -0.911 -14.762 -0.864 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.128 -14.251 -2.898 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.037 -15.613 -2.734 1.00 0.00 H new ATOM 0 HG SER A 54 -1.509 -14.572 -3.920 1.00 0.00 H new ATOM 907 N GLN A 55 1.743 -12.848 -1.192 1.00 0.00 N ATOM 908 CA GLN A 55 2.938 -12.394 -0.486 1.00 0.00 C ATOM 909 C GLN A 55 3.062 -10.877 -0.546 1.00 0.00 C ATOM 910 O GLN A 55 4.092 -10.312 -0.176 1.00 0.00 O ATOM 911 CB GLN A 55 4.188 -13.031 -1.102 1.00 0.00 C ATOM 912 CG GLN A 55 4.839 -14.092 -0.226 1.00 0.00 C ATOM 913 CD GLN A 55 5.593 -13.499 0.951 1.00 0.00 C ATOM 914 OE1 GLN A 55 5.285 -13.786 2.106 1.00 0.00 O ATOM 915 NE2 GLN A 55 6.592 -12.676 0.668 1.00 0.00 N ATOM 0 H GLN A 55 1.736 -12.636 -2.190 1.00 0.00 H new ATOM 0 HA GLN A 55 2.849 -12.698 0.557 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.921 -13.479 -2.059 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.918 -12.248 -1.309 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.072 -14.772 0.145 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.525 -14.685 -0.830 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.817 -12.462 -0.304 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.136 -12.256 1.422 1.00 0.00 H new ATOM 924 N LEU A 56 2.008 -10.223 -1.005 1.00 0.00 N ATOM 925 CA LEU A 56 2.050 -8.789 -1.250 1.00 0.00 C ATOM 926 C LEU A 56 1.736 -7.982 0.002 1.00 0.00 C ATOM 927 O LEU A 56 0.628 -8.037 0.538 1.00 0.00 O ATOM 928 CB LEU A 56 1.070 -8.418 -2.361 1.00 0.00 C ATOM 929 CG LEU A 56 1.690 -7.716 -3.565 1.00 0.00 C ATOM 930 CD1 LEU A 56 1.876 -8.693 -4.713 1.00 0.00 C ATOM 931 CD2 LEU A 56 0.823 -6.542 -3.995 1.00 0.00 C ATOM 0 H LEU A 56 1.112 -10.662 -1.216 1.00 0.00 H new ATOM 0 HA LEU A 56 3.067 -8.543 -1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.575 -9.326 -2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.298 -7.773 -1.942 1.00 0.00 H new ATOM 0 HG LEU A 56 2.670 -7.335 -3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.319 -8.175 -5.563 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.534 -9.503 -4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.908 -9.103 -5.002 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.277 -6.050 -4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.169 -6.902 -4.265 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.739 -5.831 -3.173 1.00 0.00 H new ATOM 943 N ARG A 57 2.729 -7.240 0.467 1.00 0.00 N ATOM 944 CA ARG A 57 2.532 -6.266 1.529 1.00 0.00 C ATOM 945 C ARG A 57 3.045 -4.915 1.042 1.00 0.00 C ATOM 946 O ARG A 57 4.034 -4.853 0.311 1.00 0.00 O ATOM 947 CB ARG A 57 3.250 -6.688 2.818 1.00 0.00 C ATOM 948 CG ARG A 57 2.317 -7.267 3.879 1.00 0.00 C ATOM 949 CD ARG A 57 1.810 -8.651 3.500 1.00 0.00 C ATOM 950 NE ARG A 57 2.872 -9.659 3.542 1.00 0.00 N ATOM 951 CZ ARG A 57 2.654 -10.976 3.531 1.00 0.00 C ATOM 952 NH1 ARG A 57 1.423 -11.457 3.415 1.00 0.00 N ATOM 953 NH2 ARG A 57 3.677 -11.817 3.610 1.00 0.00 N ATOM 0 H ARG A 57 3.687 -7.295 0.122 1.00 0.00 H new ATOM 0 HA ARG A 57 1.470 -6.200 1.766 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.012 -7.428 2.573 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.768 -5.824 3.235 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.842 -7.322 4.832 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.469 -6.597 4.021 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.009 -8.941 4.179 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.382 -8.618 2.498 1.00 0.00 H new ATOM 0 HE ARG A 57 3.838 -9.334 3.582 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.632 -10.819 3.333 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.268 -12.465 3.408 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.629 -11.457 3.679 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.512 -12.823 3.602 1.00 0.00 H new ATOM 967 N ILE A 58 2.370 -3.842 1.421 1.00 0.00 N ATOM 968 CA ILE A 58 2.696 -2.526 0.888 1.00 0.00 C ATOM 969 C ILE A 58 3.309 -1.627 1.958 1.00 0.00 C ATOM 970 O ILE A 58 2.841 -1.587 3.093 1.00 0.00 O ATOM 971 CB ILE A 58 1.448 -1.839 0.288 1.00 0.00 C ATOM 972 CG1 ILE A 58 0.804 -2.734 -0.782 1.00 0.00 C ATOM 973 CG2 ILE A 58 1.803 -0.478 -0.299 1.00 0.00 C ATOM 974 CD1 ILE A 58 1.717 -3.057 -1.948 1.00 0.00 C ATOM 0 H ILE A 58 1.600 -3.853 2.089 1.00 0.00 H new ATOM 0 HA ILE A 58 3.430 -2.678 0.096 1.00 0.00 H new ATOM 0 HB ILE A 58 0.728 -1.684 1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.483 -3.666 -0.316 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.092 -2.242 -1.161 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.907 -0.016 -0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.211 0.161 0.484 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.545 -0.604 -1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.189 -3.692 -2.659 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.018 -2.133 -2.441 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.602 -3.579 -1.584 1.00 0.00 H new ATOM 986 N CYS A 59 4.357 -0.910 1.579 1.00 0.00 N ATOM 987 CA CYS A 59 5.050 -0.010 2.488 1.00 0.00 C ATOM 988 C CYS A 59 4.172 1.172 2.896 1.00 0.00 C ATOM 989 O CYS A 59 3.331 1.640 2.124 1.00 0.00 O ATOM 990 CB CYS A 59 6.322 0.501 1.820 1.00 0.00 C ATOM 991 SG CYS A 59 7.209 -0.780 0.877 1.00 0.00 S ATOM 0 H CYS A 59 4.749 -0.936 0.638 1.00 0.00 H new ATOM 0 HA CYS A 59 5.296 -0.567 3.392 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.067 1.323 1.151 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.987 0.906 2.583 1.00 0.00 H new ATOM 0 HG CYS A 59 7.510 -1.769 1.665 1.00 0.00 H new ATOM 996 N SER A 60 4.404 1.671 4.104 1.00 0.00 N ATOM 997 CA SER A 60 3.667 2.814 4.631 1.00 0.00 C ATOM 998 C SER A 60 4.136 4.106 3.970 1.00 0.00 C ATOM 999 O SER A 60 3.521 5.162 4.128 1.00 0.00 O ATOM 1000 CB SER A 60 3.868 2.894 6.146 1.00 0.00 C ATOM 1001 OG SER A 60 4.866 1.977 6.562 1.00 0.00 O ATOM 0 H SER A 60 5.105 1.297 4.744 1.00 0.00 H new ATOM 0 HA SER A 60 2.607 2.684 4.412 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.156 3.907 6.428 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.930 2.676 6.656 1.00 0.00 H new ATOM 0 HG SER A 60 4.471 1.086 6.660 1.00 0.00 H new ATOM 1007 N ALA A 61 5.226 4.010 3.217 1.00 0.00 N ATOM 1008 CA ALA A 61 5.792 5.163 2.532 1.00 0.00 C ATOM 1009 C ALA A 61 5.041 5.443 1.235 1.00 0.00 C ATOM 1010 O ALA A 61 5.316 6.420 0.545 1.00 0.00 O ATOM 1011 CB ALA A 61 7.272 4.939 2.258 1.00 0.00 C ATOM 0 H ALA A 61 5.737 3.140 3.066 1.00 0.00 H new ATOM 0 HA ALA A 61 5.687 6.035 3.178 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.683 5.809 1.745 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.798 4.791 3.201 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.396 4.056 1.631 1.00 0.00 H new ATOM 1017 N HIS A 62 4.086 4.579 0.910 1.00 0.00 N ATOM 1018 CA HIS A 62 3.279 4.745 -0.294 1.00 0.00 C ATOM 1019 C HIS A 62 1.997 5.507 0.031 1.00 0.00 C ATOM 1020 O HIS A 62 1.046 5.515 -0.745 1.00 0.00 O ATOM 1021 CB HIS A 62 2.945 3.379 -0.907 1.00 0.00 C ATOM 1022 CG HIS A 62 4.145 2.636 -1.421 1.00 0.00 C ATOM 1023 ND1 HIS A 62 4.826 1.590 -0.877 1.00 0.00 N flip ATOM 1024 CD2 HIS A 62 4.797 2.943 -2.604 1.00 0.00 C flip ATOM 1025 CE1 HIS A 62 5.880 1.263 -1.715 1.00 0.00 C flip ATOM 1026 NE2 HIS A 62 5.831 2.092 -2.736 1.00 0.00 N flip ATOM 0 H HIS A 62 3.851 3.755 1.464 1.00 0.00 H new ATOM 0 HA HIS A 62 3.853 5.320 -1.021 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.444 2.767 -0.157 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.239 3.521 -1.725 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.524 3.725 -3.297 1.00 0.00 H new ATOM 0 HE1 HIS A 62 6.604 0.477 -1.560 1.00 0.00 H new ATOM 0 HE2 HIS A 62 6.486 2.090 -3.518 1.00 0.00 H new ATOM 1034 N PHE A 63 1.981 6.145 1.190 1.00 0.00 N ATOM 1035 CA PHE A 63 0.817 6.894 1.638 1.00 0.00 C ATOM 1036 C PHE A 63 1.221 8.310 2.008 1.00 0.00 C ATOM 1037 O PHE A 63 2.391 8.570 2.285 1.00 0.00 O ATOM 1038 CB PHE A 63 0.182 6.224 2.862 1.00 0.00 C ATOM 1039 CG PHE A 63 -0.362 4.849 2.604 1.00 0.00 C ATOM 1040 CD1 PHE A 63 0.481 3.751 2.567 1.00 0.00 C ATOM 1041 CD2 PHE A 63 -1.719 4.655 2.407 1.00 0.00 C ATOM 1042 CE1 PHE A 63 -0.017 2.487 2.333 1.00 0.00 C ATOM 1043 CE2 PHE A 63 -2.223 3.391 2.174 1.00 0.00 C ATOM 1044 CZ PHE A 63 -1.370 2.307 2.136 1.00 0.00 C ATOM 0 H PHE A 63 2.766 6.159 1.841 1.00 0.00 H new ATOM 0 HA PHE A 63 0.093 6.915 0.823 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.927 6.164 3.655 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.625 6.858 3.230 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.541 3.886 2.723 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.390 5.501 2.436 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.651 1.639 2.304 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.283 3.251 2.022 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.762 1.318 1.952 1.00 0.00 H new ATOM 1054 N GLU A 64 0.256 9.217 1.997 1.00 0.00 N ATOM 1055 CA GLU A 64 0.471 10.565 2.500 1.00 0.00 C ATOM 1056 C GLU A 64 0.808 10.501 3.985 1.00 0.00 C ATOM 1057 O GLU A 64 -0.061 10.234 4.818 1.00 0.00 O ATOM 1058 CB GLU A 64 -0.769 11.430 2.273 1.00 0.00 C ATOM 1059 CG GLU A 64 -0.589 12.472 1.181 1.00 0.00 C ATOM 1060 CD GLU A 64 0.060 13.744 1.688 1.00 0.00 C ATOM 1061 OE1 GLU A 64 1.237 13.693 2.108 1.00 0.00 O ATOM 1062 OE2 GLU A 64 -0.602 14.804 1.672 1.00 0.00 O ATOM 0 H GLU A 64 -0.685 9.043 1.645 1.00 0.00 H new ATOM 0 HA GLU A 64 1.302 11.019 1.959 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.609 10.786 2.015 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.027 11.933 3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.020 12.052 0.381 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.561 12.712 0.749 1.00 0.00 H new ATOM 1069 N GLY A 65 2.075 10.707 4.305 1.00 0.00 N ATOM 1070 CA GLY A 65 2.534 10.553 5.670 1.00 0.00 C ATOM 1071 C GLY A 65 2.841 9.107 5.993 1.00 0.00 C ATOM 1072 O GLY A 65 3.985 8.751 6.279 1.00 0.00 O ATOM 0 H GLY A 65 2.799 10.980 3.640 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.427 11.159 5.825 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.773 10.926 6.355 1.00 0.00 H new ATOM 1076 N GLY A 66 1.818 8.270 5.922 1.00 0.00 N ATOM 1077 CA GLY A 66 1.982 6.863 6.215 1.00 0.00 C ATOM 1078 C GLY A 66 0.930 6.363 7.175 1.00 0.00 C ATOM 1079 O GLY A 66 1.227 6.051 8.328 1.00 0.00 O ATOM 0 H GLY A 66 0.870 8.544 5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.930 6.291 5.289 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.971 6.693 6.640 1.00 0.00 H new ATOM 1083 N GLU A 67 -0.308 6.298 6.705 1.00 0.00 N ATOM 1084 CA GLU A 67 -1.423 5.892 7.550 1.00 0.00 C ATOM 1085 C GLU A 67 -2.477 5.137 6.746 1.00 0.00 C ATOM 1086 O GLU A 67 -3.105 5.696 5.851 1.00 0.00 O ATOM 1087 CB GLU A 67 -2.054 7.124 8.203 1.00 0.00 C ATOM 1088 CG GLU A 67 -2.076 8.344 7.293 1.00 0.00 C ATOM 1089 CD GLU A 67 -2.828 9.506 7.894 1.00 0.00 C ATOM 1090 OE1 GLU A 67 -2.235 10.243 8.711 1.00 0.00 O ATOM 1091 OE2 GLU A 67 -4.012 9.697 7.548 1.00 0.00 O ATOM 0 H GLU A 67 -0.566 6.521 5.744 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.040 5.224 8.322 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.074 6.885 8.503 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.503 7.367 9.112 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.052 8.651 7.079 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.533 8.074 6.341 1.00 0.00 H new ATOM 1098 N LYS A 68 -2.647 3.860 7.052 1.00 0.00 N ATOM 1099 CA LYS A 68 -3.691 3.058 6.425 1.00 0.00 C ATOM 1100 C LYS A 68 -4.880 2.906 7.366 1.00 0.00 C ATOM 1101 O LYS A 68 -4.848 2.099 8.299 1.00 0.00 O ATOM 1102 CB LYS A 68 -3.156 1.679 6.028 1.00 0.00 C ATOM 1103 CG LYS A 68 -4.227 0.730 5.508 1.00 0.00 C ATOM 1104 CD LYS A 68 -3.720 -0.702 5.442 1.00 0.00 C ATOM 1105 CE LYS A 68 -3.984 -1.451 6.738 1.00 0.00 C ATOM 1106 NZ LYS A 68 -5.105 -2.417 6.599 1.00 0.00 N ATOM 0 H LYS A 68 -2.077 3.355 7.730 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.018 3.574 5.522 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.391 1.803 5.262 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.671 1.225 6.892 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.102 0.777 6.156 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.547 1.050 4.516 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.205 -1.222 4.616 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.650 -0.700 5.234 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.082 -1.982 7.041 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.215 -0.738 7.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.299 -2.859 7.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.955 -1.917 6.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.846 -3.152 5.910 1.00 0.00 H new ATOM 1120 N LYS A 69 -5.920 3.686 7.131 1.00 0.00 N ATOM 1121 CA LYS A 69 -7.144 3.562 7.901 1.00 0.00 C ATOM 1122 C LYS A 69 -8.142 2.705 7.129 1.00 0.00 C ATOM 1123 O LYS A 69 -7.891 1.523 6.883 1.00 0.00 O ATOM 1124 CB LYS A 69 -7.735 4.943 8.203 1.00 0.00 C ATOM 1125 CG LYS A 69 -6.886 5.783 9.146 1.00 0.00 C ATOM 1126 CD LYS A 69 -6.109 6.858 8.399 1.00 0.00 C ATOM 1127 CE LYS A 69 -7.023 7.968 7.900 1.00 0.00 C ATOM 1128 NZ LYS A 69 -6.384 8.778 6.830 1.00 0.00 N ATOM 0 H LYS A 69 -5.941 4.411 6.414 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.921 3.080 8.853 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.865 5.485 7.266 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.726 4.816 8.638 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.527 6.251 9.893 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.190 5.137 9.682 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.349 7.280 9.056 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.587 6.409 7.554 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.948 7.533 7.522 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.293 8.617 8.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.786 9.737 6.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.359 8.832 7.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.558 8.333 5.906 1.00 0.00 H new ATOM 1142 N GLU A 70 -9.255 3.297 6.727 1.00 0.00 N ATOM 1143 CA GLU A 70 -10.248 2.585 5.939 1.00 0.00 C ATOM 1144 C GLU A 70 -10.608 3.374 4.684 1.00 0.00 C ATOM 1145 O GLU A 70 -11.626 3.115 4.042 1.00 0.00 O ATOM 1146 CB GLU A 70 -11.501 2.318 6.776 1.00 0.00 C ATOM 1147 CG GLU A 70 -11.986 0.881 6.697 1.00 0.00 C ATOM 1148 CD GLU A 70 -12.012 0.199 8.047 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -10.942 -0.224 8.532 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -13.105 0.075 8.632 1.00 0.00 O ATOM 0 H GLU A 70 -9.493 4.267 6.933 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.821 1.630 5.633 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -11.293 2.566 7.817 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.299 2.982 6.443 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.987 0.863 6.266 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.339 0.320 6.023 1.00 0.00 H new ATOM 1157 N GLY A 71 -9.763 4.336 4.335 1.00 0.00 N ATOM 1158 CA GLY A 71 -10.018 5.154 3.166 1.00 0.00 C ATOM 1159 C GLY A 71 -8.742 5.675 2.543 1.00 0.00 C ATOM 1160 O GLY A 71 -8.718 6.769 1.979 1.00 0.00 O ATOM 0 H GLY A 71 -8.907 4.564 4.840 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.568 4.569 2.429 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.654 5.994 3.445 1.00 0.00 H new ATOM 1164 N ASP A 72 -7.681 4.888 2.636 1.00 0.00 N ATOM 1165 CA ASP A 72 -6.378 5.299 2.131 1.00 0.00 C ATOM 1166 C ASP A 72 -5.803 4.232 1.211 1.00 0.00 C ATOM 1167 O ASP A 72 -5.673 3.069 1.599 1.00 0.00 O ATOM 1168 CB ASP A 72 -5.400 5.565 3.284 1.00 0.00 C ATOM 1169 CG ASP A 72 -6.037 6.299 4.449 1.00 0.00 C ATOM 1170 OD1 ASP A 72 -6.653 5.635 5.311 1.00 0.00 O ATOM 1171 OD2 ASP A 72 -5.917 7.543 4.516 1.00 0.00 O ATOM 0 H ASP A 72 -7.696 3.959 3.057 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.515 6.223 1.569 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.998 4.616 3.637 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.559 6.149 2.911 1.00 0.00 H new ATOM 1176 N ILE A 73 -5.483 4.631 -0.010 1.00 0.00 N ATOM 1177 CA ILE A 73 -4.889 3.734 -0.992 1.00 0.00 C ATOM 1178 C ILE A 73 -3.405 4.056 -1.182 1.00 0.00 C ATOM 1179 O ILE A 73 -3.014 5.222 -1.157 1.00 0.00 O ATOM 1180 CB ILE A 73 -5.636 3.849 -2.345 1.00 0.00 C ATOM 1181 CG1 ILE A 73 -7.043 3.274 -2.206 1.00 0.00 C ATOM 1182 CG2 ILE A 73 -4.886 3.152 -3.474 1.00 0.00 C ATOM 1183 CD1 ILE A 73 -8.130 4.316 -2.324 1.00 0.00 C ATOM 0 H ILE A 73 -5.627 5.582 -0.349 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.980 2.712 -0.625 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.697 4.906 -2.605 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.194 2.513 -2.972 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.130 2.776 -1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.446 3.258 -4.403 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.901 3.605 -3.590 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.773 2.094 -3.237 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.104 3.839 -2.216 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.003 5.064 -1.542 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.068 4.798 -3.300 1.00 0.00 H new ATOM 1195 N PRO A 74 -2.558 3.031 -1.355 1.00 0.00 N ATOM 1196 CA PRO A 74 -1.126 3.223 -1.563 1.00 0.00 C ATOM 1197 C PRO A 74 -0.829 3.748 -2.963 1.00 0.00 C ATOM 1198 O PRO A 74 -1.111 3.081 -3.956 1.00 0.00 O ATOM 1199 CB PRO A 74 -0.553 1.819 -1.385 1.00 0.00 C ATOM 1200 CG PRO A 74 -1.660 0.911 -1.785 1.00 0.00 C ATOM 1201 CD PRO A 74 -2.930 1.607 -1.382 1.00 0.00 C ATOM 0 HA PRO A 74 -0.700 3.956 -0.879 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.329 1.668 -2.008 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.248 1.643 -0.353 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.642 0.722 -2.858 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.570 -0.056 -1.290 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.733 1.417 -2.094 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.281 1.267 -0.408 1.00 0.00 H new ATOM 1209 N VAL A 75 -0.268 4.939 -3.042 1.00 0.00 N ATOM 1210 CA VAL A 75 0.057 5.531 -4.327 1.00 0.00 C ATOM 1211 C VAL A 75 1.522 5.280 -4.660 1.00 0.00 C ATOM 1212 O VAL A 75 2.329 5.000 -3.771 1.00 0.00 O ATOM 1213 CB VAL A 75 -0.238 7.048 -4.361 1.00 0.00 C ATOM 1214 CG1 VAL A 75 -1.694 7.289 -4.722 1.00 0.00 C ATOM 1215 CG2 VAL A 75 0.107 7.703 -3.032 1.00 0.00 C ATOM 0 H VAL A 75 -0.028 5.515 -2.235 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.578 5.057 -5.075 1.00 0.00 H new ATOM 0 HB VAL A 75 0.391 7.504 -5.126 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.891 8.361 -4.743 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.901 6.863 -5.704 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.336 6.817 -3.979 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.111 8.770 -3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.487 7.250 -2.238 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.166 7.559 -2.819 1.00 0.00 H new ATOM 1225 N PRO A 76 1.884 5.361 -5.948 1.00 0.00 N ATOM 1226 CA PRO A 76 3.255 5.100 -6.395 1.00 0.00 C ATOM 1227 C PRO A 76 4.250 6.040 -5.736 1.00 0.00 C ATOM 1228 O PRO A 76 5.314 5.625 -5.276 1.00 0.00 O ATOM 1229 CB PRO A 76 3.206 5.343 -7.905 1.00 0.00 C ATOM 1230 CG PRO A 76 1.946 6.099 -8.153 1.00 0.00 C ATOM 1231 CD PRO A 76 0.992 5.709 -7.064 1.00 0.00 C ATOM 0 HA PRO A 76 3.584 4.094 -6.134 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.075 5.911 -8.238 1.00 0.00 H new ATOM 0 HB3 PRO A 76 3.211 4.401 -8.453 1.00 0.00 H new ATOM 0 HG2 PRO A 76 2.130 7.173 -8.141 1.00 0.00 H new ATOM 0 HG3 PRO A 76 1.535 5.857 -9.133 1.00 0.00 H new ATOM 0 HD2 PRO A 76 0.321 6.528 -6.804 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.367 4.866 -7.358 1.00 0.00 H new ATOM 1239 N ASP A 77 3.873 7.303 -5.688 1.00 0.00 N ATOM 1240 CA ASP A 77 4.683 8.339 -5.082 1.00 0.00 C ATOM 1241 C ASP A 77 3.772 9.452 -4.588 1.00 0.00 C ATOM 1242 O ASP A 77 3.288 10.248 -5.383 1.00 0.00 O ATOM 1243 CB ASP A 77 5.694 8.888 -6.097 1.00 0.00 C ATOM 1244 CG ASP A 77 6.771 9.736 -5.451 1.00 0.00 C ATOM 1245 OD1 ASP A 77 6.422 10.728 -4.787 1.00 0.00 O ATOM 1246 OD2 ASP A 77 7.971 9.426 -5.614 1.00 0.00 O ATOM 0 H ASP A 77 2.990 7.640 -6.071 1.00 0.00 H new ATOM 0 HA ASP A 77 5.239 7.923 -4.242 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.160 8.056 -6.625 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.167 9.484 -6.843 1.00 0.00 H new ATOM 1251 N PRO A 78 3.501 9.502 -3.273 1.00 0.00 N ATOM 1252 CA PRO A 78 2.612 10.513 -2.674 1.00 0.00 C ATOM 1253 C PRO A 78 3.110 11.944 -2.865 1.00 0.00 C ATOM 1254 O PRO A 78 2.394 12.901 -2.571 1.00 0.00 O ATOM 1255 CB PRO A 78 2.590 10.144 -1.186 1.00 0.00 C ATOM 1256 CG PRO A 78 3.803 9.306 -0.974 1.00 0.00 C ATOM 1257 CD PRO A 78 4.020 8.569 -2.263 1.00 0.00 C ATOM 0 HA PRO A 78 1.629 10.502 -3.145 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.612 11.035 -0.559 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.683 9.596 -0.929 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.666 9.923 -0.726 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.659 8.612 -0.146 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.074 8.344 -2.426 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.485 7.619 -2.279 1.00 0.00 H new ATOM 1265 N THR A 79 4.331 12.090 -3.359 1.00 0.00 N ATOM 1266 CA THR A 79 4.886 13.404 -3.619 1.00 0.00 C ATOM 1267 C THR A 79 4.810 13.755 -5.103 1.00 0.00 C ATOM 1268 O THR A 79 4.987 14.910 -5.486 1.00 0.00 O ATOM 1269 CB THR A 79 6.349 13.499 -3.146 1.00 0.00 C ATOM 1270 OG1 THR A 79 6.861 12.199 -2.812 1.00 0.00 O ATOM 1271 CG2 THR A 79 6.451 14.398 -1.931 1.00 0.00 C ATOM 0 H THR A 79 4.953 11.314 -3.586 1.00 0.00 H new ATOM 0 HA THR A 79 4.285 14.118 -3.055 1.00 0.00 H new ATOM 0 HB THR A 79 6.939 13.917 -3.962 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.005 11.683 -3.633 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.490 14.456 -1.608 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.094 15.396 -2.186 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.842 13.990 -1.124 1.00 0.00 H new ATOM 1279 N VAL A 80 4.534 12.758 -5.938 1.00 0.00 N ATOM 1280 CA VAL A 80 4.484 12.967 -7.378 1.00 0.00 C ATOM 1281 C VAL A 80 3.084 12.694 -7.925 1.00 0.00 C ATOM 1282 O VAL A 80 2.517 13.518 -8.645 1.00 0.00 O ATOM 1283 CB VAL A 80 5.513 12.069 -8.104 1.00 0.00 C ATOM 1284 CG1 VAL A 80 5.295 12.092 -9.608 1.00 0.00 C ATOM 1285 CG2 VAL A 80 6.931 12.504 -7.769 1.00 0.00 C ATOM 0 H VAL A 80 4.342 11.801 -5.642 1.00 0.00 H new ATOM 0 HA VAL A 80 4.735 14.011 -7.565 1.00 0.00 H new ATOM 0 HB VAL A 80 5.369 11.046 -7.756 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.033 11.452 -10.092 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.293 11.728 -9.836 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.403 13.112 -9.976 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.641 11.861 -8.289 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.079 13.537 -8.084 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.091 12.426 -6.694 1.00 0.00 H new ATOM 1295 N ASP A 81 2.529 11.548 -7.559 1.00 0.00 N ATOM 1296 CA ASP A 81 1.233 11.122 -8.070 1.00 0.00 C ATOM 1297 C ASP A 81 0.106 11.623 -7.177 1.00 0.00 C ATOM 1298 O ASP A 81 0.346 12.216 -6.126 1.00 0.00 O ATOM 1299 CB ASP A 81 1.174 9.596 -8.178 1.00 0.00 C ATOM 1300 CG ASP A 81 0.369 9.127 -9.375 1.00 0.00 C ATOM 1301 OD1 ASP A 81 -0.873 9.271 -9.360 1.00 0.00 O ATOM 1302 OD2 ASP A 81 0.974 8.607 -10.334 1.00 0.00 O ATOM 0 H ASP A 81 2.958 10.892 -6.906 1.00 0.00 H new ATOM 0 HA ASP A 81 1.106 11.552 -9.063 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.187 9.201 -8.249 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.736 9.188 -7.267 1.00 0.00 H new ATOM 1307 N LYS A 82 -1.121 11.360 -7.591 1.00 0.00 N ATOM 1308 CA LYS A 82 -2.289 11.837 -6.872 1.00 0.00 C ATOM 1309 C LYS A 82 -2.772 10.781 -5.888 1.00 0.00 C ATOM 1310 O LYS A 82 -3.405 9.799 -6.282 1.00 0.00 O ATOM 1311 CB LYS A 82 -3.413 12.201 -7.847 1.00 0.00 C ATOM 1312 CG LYS A 82 -2.917 12.679 -9.205 1.00 0.00 C ATOM 1313 CD LYS A 82 -3.854 12.265 -10.331 1.00 0.00 C ATOM 1314 CE LYS A 82 -4.109 10.765 -10.337 1.00 0.00 C ATOM 1315 NZ LYS A 82 -2.954 10.007 -10.884 1.00 0.00 N ATOM 0 H LYS A 82 -1.335 10.815 -8.426 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.007 12.733 -6.318 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.053 11.331 -7.990 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.030 12.981 -7.401 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.820 13.765 -9.194 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.923 12.272 -9.392 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.802 12.794 -10.227 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.426 12.564 -11.288 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.316 10.428 -9.321 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.998 10.551 -10.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.237 9.022 -11.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.643 10.443 -11.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.172 10.024 -10.199 1.00 0.00 H new ATOM 1329 N GLN A 83 -2.419 10.982 -4.622 1.00 0.00 N ATOM 1330 CA GLN A 83 -2.858 10.126 -3.520 1.00 0.00 C ATOM 1331 C GLN A 83 -4.339 9.768 -3.641 1.00 0.00 C ATOM 1332 O GLN A 83 -5.212 10.635 -3.550 1.00 0.00 O ATOM 1333 CB GLN A 83 -2.585 10.828 -2.178 1.00 0.00 C ATOM 1334 CG GLN A 83 -3.333 10.233 -0.992 1.00 0.00 C ATOM 1335 CD GLN A 83 -2.765 8.897 -0.553 1.00 0.00 C ATOM 1336 OE1 GLN A 83 -1.687 8.826 0.033 1.00 0.00 O ATOM 1337 NE2 GLN A 83 -3.495 7.830 -0.829 1.00 0.00 N ATOM 0 H GLN A 83 -1.815 11.750 -4.328 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.292 9.196 -3.566 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.515 10.790 -1.973 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.854 11.880 -2.271 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -3.295 10.932 -0.156 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.383 10.108 -1.256 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.385 7.933 -1.317 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -3.169 6.904 -0.554 1.00 0.00 H new ATOM 1346 N ILE A 84 -4.612 8.486 -3.866 1.00 0.00 N ATOM 1347 CA ILE A 84 -5.978 8.006 -3.953 1.00 0.00 C ATOM 1348 C ILE A 84 -6.546 7.809 -2.552 1.00 0.00 C ATOM 1349 O ILE A 84 -6.058 6.975 -1.791 1.00 0.00 O ATOM 1350 CB ILE A 84 -6.090 6.675 -4.739 1.00 0.00 C ATOM 1351 CG1 ILE A 84 -5.253 6.710 -6.019 1.00 0.00 C ATOM 1352 CG2 ILE A 84 -7.544 6.390 -5.082 1.00 0.00 C ATOM 1353 CD1 ILE A 84 -4.343 5.512 -6.183 1.00 0.00 C ATOM 0 H ILE A 84 -3.902 7.765 -3.991 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.549 8.760 -4.495 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.704 5.879 -4.102 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.921 6.768 -6.878 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.649 7.617 -6.023 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.611 5.453 -5.634 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.126 6.312 -4.164 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.939 7.201 -5.694 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.781 5.606 -7.112 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.650 5.464 -5.343 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.942 4.602 -6.212 1.00 0.00 H new ATOM 1365 N LYS A 85 -7.555 8.589 -2.202 1.00 0.00 N ATOM 1366 CA LYS A 85 -8.164 8.490 -0.882 1.00 0.00 C ATOM 1367 C LYS A 85 -9.683 8.426 -0.999 1.00 0.00 C ATOM 1368 O LYS A 85 -10.261 8.901 -1.982 1.00 0.00 O ATOM 1369 CB LYS A 85 -7.742 9.674 -0.002 1.00 0.00 C ATOM 1370 CG LYS A 85 -8.483 10.967 -0.307 1.00 0.00 C ATOM 1371 CD LYS A 85 -7.529 12.070 -0.730 1.00 0.00 C ATOM 1372 CE LYS A 85 -8.281 13.331 -1.120 1.00 0.00 C ATOM 1373 NZ LYS A 85 -7.555 14.564 -0.717 1.00 0.00 N ATOM 0 H LYS A 85 -7.970 9.296 -2.809 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.815 7.571 -0.411 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.904 9.412 1.044 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.672 9.842 -0.126 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.212 10.792 -1.098 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.040 11.285 0.574 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.841 12.292 0.086 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.926 11.729 -1.571 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.438 13.340 -2.199 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.267 13.323 -0.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.104 15.399 -1.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.427 14.570 0.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.624 14.586 -1.181 1.00 0.00 H new ATOM 1387 N ILE A 86 -10.324 7.834 -0.001 1.00 0.00 N ATOM 1388 CA ILE A 86 -11.776 7.713 0.018 1.00 0.00 C ATOM 1389 C ILE A 86 -12.317 8.069 1.395 1.00 0.00 C ATOM 1390 O ILE A 86 -11.614 7.941 2.399 1.00 0.00 O ATOM 1391 CB ILE A 86 -12.259 6.285 -0.345 1.00 0.00 C ATOM 1392 CG1 ILE A 86 -11.120 5.438 -0.911 1.00 0.00 C ATOM 1393 CG2 ILE A 86 -13.414 6.349 -1.333 1.00 0.00 C ATOM 1394 CD1 ILE A 86 -11.045 4.047 -0.319 1.00 0.00 C ATOM 0 H ILE A 86 -9.859 7.428 0.811 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.153 8.405 -0.735 1.00 0.00 H new ATOM 0 HB ILE A 86 -12.606 5.808 0.572 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.241 5.358 -1.991 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.175 5.951 -0.733 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.741 5.338 -1.577 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -14.243 6.901 -0.889 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.088 6.854 -2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.213 3.505 -0.768 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.893 4.118 0.758 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -11.975 3.516 -0.520 1.00 0.00 H new ATOM 1406 N GLU A 87 -13.560 8.515 1.440 1.00 0.00 N ATOM 1407 CA GLU A 87 -14.203 8.843 2.702 1.00 0.00 C ATOM 1408 C GLU A 87 -15.154 7.725 3.104 1.00 0.00 C ATOM 1409 O GLU A 87 -16.191 7.517 2.471 1.00 0.00 O ATOM 1410 CB GLU A 87 -14.959 10.175 2.610 1.00 0.00 C ATOM 1411 CG GLU A 87 -15.198 10.656 1.189 1.00 0.00 C ATOM 1412 CD GLU A 87 -15.685 12.087 1.139 1.00 0.00 C ATOM 1413 OE1 GLU A 87 -16.838 12.344 1.539 1.00 0.00 O ATOM 1414 OE2 GLU A 87 -14.915 12.967 0.694 1.00 0.00 O ATOM 0 H GLU A 87 -14.145 8.659 0.617 1.00 0.00 H new ATOM 0 HA GLU A 87 -13.429 8.949 3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.920 10.070 3.113 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -14.398 10.937 3.150 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.273 10.570 0.619 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -15.931 10.009 0.708 1.00 0.00 H new