USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=16 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 6 THR OG1 : rot -17:sc= 0.84 USER MOD Set 1.2: A 55 GLN : amide:sc= -0.235 X(o=0.61,f=0.61) USER MOD Set 2.1: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 51 THR OG1 : rot -150:sc= 0.709 USER MOD Set 3.1: A 7 CYS SG : rot -172:sc= -0.852! USER MOD Set 3.2: A 12 CYS SG : rot 89:sc= 1.8 USER MOD Set 3.3: A 59 CYS SG : rot 61:sc= 0.505 USER MOD Set 3.4: A 62 HIS : no HE2:sc= -3.94! X(o=-2.5!,f=-2.4) USER MOD Single : A 11 ASN :FLIP amide:sc= -0.391 F(o=-1.5,f=-0.39) USER MOD Single : A 13 LYS NZ :NH3+ -116:sc= -0.145 (180deg=-0.77!) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 28 TYR OH : rot 151:sc= 0.809 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 58:sc= 0.106 USER MOD Single : A 54 SER OG : rot 180:sc= 0.141 USER MOD Single : A 60 SER OG : rot -87:sc= 1.37 USER MOD Single : A 68 LYS NZ :NH3+ 158:sc= 0.0539 (180deg=0.00719) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 58:sc= 1.18 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 1.66 K(o=1.7,f=-1.4) USER MOD Single : A 85 LYS NZ :NH3+ 175:sc= 2.34 (180deg=2.29) USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 6 7.835 -8.473 1.198 1.00 0.00 N ATOM 67 CA THR A 6 8.181 -7.768 -0.026 1.00 0.00 C ATOM 68 C THR A 6 7.032 -6.885 -0.500 1.00 0.00 C ATOM 69 O THR A 6 5.862 -7.264 -0.392 1.00 0.00 O ATOM 70 CB THR A 6 8.547 -8.753 -1.155 1.00 0.00 C ATOM 71 OG1 THR A 6 8.289 -10.103 -0.735 1.00 0.00 O ATOM 72 CG2 THR A 6 10.011 -8.610 -1.546 1.00 0.00 C ATOM 0 HA THR A 6 9.045 -7.145 0.204 1.00 0.00 H new ATOM 0 HB THR A 6 7.931 -8.519 -2.023 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.200 -10.131 0.241 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.245 -9.315 -2.344 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.197 -7.594 -1.894 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.641 -8.819 -0.681 1.00 0.00 H new ATOM 80 N CYS A 7 7.373 -5.708 -1.005 1.00 0.00 N ATOM 81 CA CYS A 7 6.394 -4.818 -1.598 1.00 0.00 C ATOM 82 C CYS A 7 5.927 -5.372 -2.938 1.00 0.00 C ATOM 83 O CYS A 7 6.680 -6.048 -3.646 1.00 0.00 O ATOM 84 CB CYS A 7 6.996 -3.427 -1.789 1.00 0.00 C ATOM 85 SG CYS A 7 5.786 -2.108 -2.143 1.00 0.00 S ATOM 0 H CYS A 7 8.328 -5.349 -1.014 1.00 0.00 H new ATOM 0 HA CYS A 7 5.537 -4.743 -0.929 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.550 -3.160 -0.889 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.716 -3.468 -2.606 1.00 0.00 H new ATOM 0 HG CYS A 7 6.415 -1.015 -2.460 1.00 0.00 H new ATOM 90 N GLY A 8 4.689 -5.081 -3.283 1.00 0.00 N ATOM 91 CA GLY A 8 4.147 -5.541 -4.542 1.00 0.00 C ATOM 92 C GLY A 8 4.057 -4.430 -5.562 1.00 0.00 C ATOM 93 O GLY A 8 3.557 -4.631 -6.670 1.00 0.00 O ATOM 0 H GLY A 8 4.045 -4.532 -2.713 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.773 -6.343 -4.934 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.155 -5.962 -4.377 1.00 0.00 H new ATOM 97 N PHE A 9 4.541 -3.253 -5.188 1.00 0.00 N ATOM 98 CA PHE A 9 4.495 -2.098 -6.069 1.00 0.00 C ATOM 99 C PHE A 9 5.549 -2.204 -7.163 1.00 0.00 C ATOM 100 O PHE A 9 6.737 -2.362 -6.878 1.00 0.00 O ATOM 101 CB PHE A 9 4.689 -0.810 -5.273 1.00 0.00 C ATOM 102 CG PHE A 9 3.553 0.150 -5.432 1.00 0.00 C ATOM 103 CD1 PHE A 9 3.382 0.846 -6.616 1.00 0.00 C ATOM 104 CD2 PHE A 9 2.654 0.353 -4.403 1.00 0.00 C ATOM 105 CE1 PHE A 9 2.332 1.725 -6.770 1.00 0.00 C ATOM 106 CE2 PHE A 9 1.603 1.231 -4.551 1.00 0.00 C ATOM 107 CZ PHE A 9 1.443 1.920 -5.736 1.00 0.00 C ATOM 0 H PHE A 9 4.970 -3.075 -4.280 1.00 0.00 H new ATOM 0 HA PHE A 9 3.513 -2.074 -6.541 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.805 -1.055 -4.217 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.613 -0.328 -5.592 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.079 0.699 -7.428 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.776 -0.182 -3.473 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.206 2.260 -7.700 1.00 0.00 H new ATOM 0 HE2 PHE A 9 0.905 1.380 -3.741 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.622 2.611 -5.853 1.00 0.00 H new ATOM 117 N PRO A 10 5.125 -2.115 -8.434 1.00 0.00 N ATOM 118 CA PRO A 10 6.038 -2.221 -9.577 1.00 0.00 C ATOM 119 C PRO A 10 6.972 -1.024 -9.670 1.00 0.00 C ATOM 120 O PRO A 10 8.084 -1.115 -10.191 1.00 0.00 O ATOM 121 CB PRO A 10 5.103 -2.274 -10.788 1.00 0.00 C ATOM 122 CG PRO A 10 3.836 -1.633 -10.333 1.00 0.00 C ATOM 123 CD PRO A 10 3.727 -1.906 -8.857 1.00 0.00 C ATOM 0 HA PRO A 10 6.691 -3.090 -9.500 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.530 -1.742 -11.638 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.931 -3.302 -11.108 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.851 -0.561 -10.529 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.979 -2.043 -10.868 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.270 -1.070 -8.328 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.113 -2.784 -8.657 1.00 0.00 H new ATOM 131 N ASN A 11 6.511 0.096 -9.148 1.00 0.00 N ATOM 132 CA ASN A 11 7.294 1.324 -9.142 1.00 0.00 C ATOM 133 C ASN A 11 7.581 1.749 -7.713 1.00 0.00 C ATOM 134 O ASN A 11 7.427 2.917 -7.353 1.00 0.00 O ATOM 135 CB ASN A 11 6.583 2.462 -9.897 1.00 0.00 C ATOM 136 CG ASN A 11 5.195 2.092 -10.390 1.00 0.00 C ATOM 137 OD1 ASN A 11 4.180 2.408 -9.602 1.00 0.00 O flip ATOM 138 ND2 ASN A 11 5.032 1.540 -11.477 1.00 0.00 N flip ATOM 0 H ASN A 11 5.590 0.184 -8.718 1.00 0.00 H new ATOM 0 HA ASN A 11 8.232 1.120 -9.659 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.507 3.329 -9.241 1.00 0.00 H new ATOM 0 HB3 ASN A 11 7.195 2.759 -10.749 1.00 0.00 H new ATOM 0 HD21 ASN A 11 5.838 1.311 -12.059 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.091 1.311 -11.797 1.00 0.00 H new ATOM 145 N CYS A 12 7.987 0.789 -6.891 1.00 0.00 N ATOM 146 CA CYS A 12 8.341 1.081 -5.517 1.00 0.00 C ATOM 147 C CYS A 12 9.785 1.547 -5.424 1.00 0.00 C ATOM 148 O CYS A 12 10.719 0.744 -5.464 1.00 0.00 O ATOM 149 CB CYS A 12 8.136 -0.135 -4.618 1.00 0.00 C ATOM 150 SG CYS A 12 8.663 0.140 -2.892 1.00 0.00 S ATOM 0 H CYS A 12 8.077 -0.192 -7.155 1.00 0.00 H new ATOM 0 HA CYS A 12 7.682 1.879 -5.173 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.082 -0.411 -4.628 1.00 0.00 H new ATOM 0 HB3 CYS A 12 8.690 -0.979 -5.029 1.00 0.00 H new ATOM 0 HG CYS A 12 7.670 0.624 -2.207 1.00 0.00 H new ATOM 155 N LYS A 13 9.956 2.849 -5.327 1.00 0.00 N ATOM 156 CA LYS A 13 11.262 3.428 -5.071 1.00 0.00 C ATOM 157 C LYS A 13 11.489 3.542 -3.566 1.00 0.00 C ATOM 158 O LYS A 13 12.523 4.025 -3.112 1.00 0.00 O ATOM 159 CB LYS A 13 11.365 4.809 -5.728 1.00 0.00 C ATOM 160 CG LYS A 13 10.533 5.873 -5.031 1.00 0.00 C ATOM 161 CD LYS A 13 9.422 6.396 -5.925 1.00 0.00 C ATOM 162 CE LYS A 13 9.650 7.850 -6.309 1.00 0.00 C ATOM 163 NZ LYS A 13 10.012 8.695 -5.139 1.00 0.00 N ATOM 0 H LYS A 13 9.204 3.531 -5.422 1.00 0.00 H new ATOM 0 HA LYS A 13 12.029 2.782 -5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.409 5.122 -5.736 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.047 4.733 -6.768 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.102 5.458 -4.120 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.177 6.699 -4.731 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.362 5.786 -6.826 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.465 6.300 -5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.444 7.906 -7.054 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.747 8.246 -6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.270 9.407 -4.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.102 8.097 -4.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.917 9.173 -5.323 1.00 0.00 H new ATOM 177 N PHE A 14 10.515 3.066 -2.796 1.00 0.00 N ATOM 178 CA PHE A 14 10.483 3.314 -1.363 1.00 0.00 C ATOM 179 C PHE A 14 11.240 2.253 -0.577 1.00 0.00 C ATOM 180 O PHE A 14 11.958 2.582 0.364 1.00 0.00 O ATOM 181 CB PHE A 14 9.039 3.426 -0.886 1.00 0.00 C ATOM 182 CG PHE A 14 8.435 4.766 -1.194 1.00 0.00 C ATOM 183 CD1 PHE A 14 9.060 5.932 -0.782 1.00 0.00 C ATOM 184 CD2 PHE A 14 7.248 4.862 -1.899 1.00 0.00 C ATOM 185 CE1 PHE A 14 8.512 7.168 -1.068 1.00 0.00 C ATOM 186 CE2 PHE A 14 6.695 6.093 -2.188 1.00 0.00 C ATOM 187 CZ PHE A 14 7.327 7.248 -1.771 1.00 0.00 C ATOM 0 H PHE A 14 9.737 2.505 -3.144 1.00 0.00 H new ATOM 0 HA PHE A 14 10.992 4.260 -1.177 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.442 2.645 -1.357 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.000 3.252 0.189 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.987 5.874 -0.231 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.748 3.963 -2.227 1.00 0.00 H new ATOM 0 HE1 PHE A 14 9.010 8.069 -0.742 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.769 6.153 -2.740 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.895 8.212 -1.995 1.00 0.00 H new ATOM 197 N ARG A 15 11.112 0.991 -0.959 1.00 0.00 N ATOM 198 CA ARG A 15 11.889 -0.059 -0.302 1.00 0.00 C ATOM 199 C ARG A 15 13.369 0.095 -0.649 1.00 0.00 C ATOM 200 O ARG A 15 14.247 -0.448 0.016 1.00 0.00 O ATOM 201 CB ARG A 15 11.381 -1.447 -0.692 1.00 0.00 C ATOM 202 CG ARG A 15 11.760 -1.877 -2.095 1.00 0.00 C ATOM 203 CD ARG A 15 11.151 -3.222 -2.437 1.00 0.00 C ATOM 204 NE ARG A 15 9.946 -3.085 -3.253 1.00 0.00 N ATOM 205 CZ ARG A 15 9.574 -3.968 -4.180 1.00 0.00 C ATOM 206 NH1 ARG A 15 10.322 -5.042 -4.413 1.00 0.00 N ATOM 207 NH2 ARG A 15 8.453 -3.782 -4.865 1.00 0.00 N ATOM 0 H ARG A 15 10.493 0.670 -1.703 1.00 0.00 H new ATOM 0 HA ARG A 15 11.768 0.044 0.776 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.771 -2.177 0.017 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.295 -1.463 -0.600 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.422 -1.129 -2.812 1.00 0.00 H new ATOM 0 HG3 ARG A 15 12.845 -1.933 -2.181 1.00 0.00 H new ATOM 0 HD2 ARG A 15 11.884 -3.827 -2.971 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.908 -3.754 -1.517 1.00 0.00 H new ATOM 0 HE ARG A 15 9.356 -2.267 -3.105 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.180 -5.190 -3.883 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.037 -5.718 -5.122 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.874 -2.962 -4.683 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.170 -4.459 -5.574 1.00 0.00 H new ATOM 368 N ARG A 25 10.303 -0.484 7.990 1.00 0.00 N ATOM 369 CA ARG A 25 9.173 0.421 8.069 1.00 0.00 C ATOM 370 C ARG A 25 7.957 -0.350 8.561 1.00 0.00 C ATOM 371 O ARG A 25 8.098 -1.436 9.120 1.00 0.00 O ATOM 372 CB ARG A 25 8.890 1.037 6.690 1.00 0.00 C ATOM 373 CG ARG A 25 9.314 2.493 6.576 1.00 0.00 C ATOM 374 CD ARG A 25 8.280 3.324 5.826 1.00 0.00 C ATOM 375 NE ARG A 25 7.372 4.021 6.735 1.00 0.00 N ATOM 376 CZ ARG A 25 6.839 5.215 6.494 1.00 0.00 C ATOM 377 NH1 ARG A 25 7.160 5.879 5.389 1.00 0.00 N ATOM 378 NH2 ARG A 25 5.991 5.747 7.371 1.00 0.00 N ATOM 0 HA ARG A 25 9.399 1.229 8.765 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.409 0.455 5.928 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.823 0.960 6.479 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.461 2.908 7.573 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.273 2.554 6.061 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.789 4.052 5.194 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.704 2.676 5.165 1.00 0.00 H new ATOM 0 HE ARG A 25 7.131 3.561 7.613 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.817 5.473 4.723 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.749 6.795 5.207 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.753 5.239 8.223 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.579 6.663 7.191 1.00 0.00 H new ATOM 392 N HIS A 26 6.774 0.195 8.350 1.00 0.00 N ATOM 393 CA HIS A 26 5.550 -0.508 8.695 1.00 0.00 C ATOM 394 C HIS A 26 4.927 -1.095 7.440 1.00 0.00 C ATOM 395 O HIS A 26 4.286 -0.391 6.661 1.00 0.00 O ATOM 396 CB HIS A 26 4.557 0.422 9.388 1.00 0.00 C ATOM 397 CG HIS A 26 4.404 0.158 10.854 1.00 0.00 C ATOM 398 ND1 HIS A 26 3.931 -1.045 11.322 1.00 0.00 N ATOM 399 CD2 HIS A 26 4.674 0.964 11.907 1.00 0.00 C ATOM 400 CE1 HIS A 26 3.924 -0.944 12.640 1.00 0.00 C ATOM 401 NE2 HIS A 26 4.366 0.255 13.042 1.00 0.00 N ATOM 0 H HIS A 26 6.633 1.119 7.943 1.00 0.00 H new ATOM 0 HA HIS A 26 5.798 -1.312 9.388 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.879 1.453 9.246 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.584 0.323 8.907 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.058 1.972 11.863 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.603 -1.729 13.308 1.00 0.00 H new ATOM 0 HE2 HIS A 26 4.456 0.579 14.005 1.00 0.00 H new ATOM 409 N PHE A 27 5.125 -2.383 7.239 1.00 0.00 N ATOM 410 CA PHE A 27 4.643 -3.038 6.033 1.00 0.00 C ATOM 411 C PHE A 27 3.157 -3.322 6.156 1.00 0.00 C ATOM 412 O PHE A 27 2.734 -4.162 6.949 1.00 0.00 O ATOM 413 CB PHE A 27 5.414 -4.330 5.760 1.00 0.00 C ATOM 414 CG PHE A 27 6.324 -4.233 4.571 1.00 0.00 C ATOM 415 CD1 PHE A 27 5.871 -3.690 3.380 1.00 0.00 C ATOM 416 CD2 PHE A 27 7.629 -4.680 4.647 1.00 0.00 C ATOM 417 CE1 PHE A 27 6.706 -3.597 2.284 1.00 0.00 C ATOM 418 CE2 PHE A 27 8.469 -4.590 3.557 1.00 0.00 C ATOM 419 CZ PHE A 27 8.008 -4.046 2.373 1.00 0.00 C ATOM 0 H PHE A 27 5.614 -2.997 7.891 1.00 0.00 H new ATOM 0 HA PHE A 27 4.808 -2.367 5.190 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.003 -4.588 6.640 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.705 -5.143 5.602 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.853 -3.335 3.308 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.995 -5.105 5.570 1.00 0.00 H new ATOM 0 HE1 PHE A 27 6.341 -3.174 1.360 1.00 0.00 H new ATOM 0 HE2 PHE A 27 9.487 -4.944 3.629 1.00 0.00 H new ATOM 0 HZ PHE A 27 8.665 -3.972 1.519 1.00 0.00 H new ATOM 429 N TYR A 28 2.375 -2.624 5.353 1.00 0.00 N ATOM 430 CA TYR A 28 0.931 -2.655 5.465 1.00 0.00 C ATOM 431 C TYR A 28 0.354 -3.914 4.841 1.00 0.00 C ATOM 432 O TYR A 28 0.753 -4.329 3.749 1.00 0.00 O ATOM 433 CB TYR A 28 0.329 -1.425 4.786 1.00 0.00 C ATOM 434 CG TYR A 28 0.218 -0.211 5.681 1.00 0.00 C ATOM 435 CD1 TYR A 28 -0.116 -0.333 7.024 1.00 0.00 C ATOM 436 CD2 TYR A 28 0.430 1.063 5.173 1.00 0.00 C ATOM 437 CE1 TYR A 28 -0.240 0.782 7.830 1.00 0.00 C ATOM 438 CE2 TYR A 28 0.314 2.181 5.974 1.00 0.00 C ATOM 439 CZ TYR A 28 -0.023 2.035 7.299 1.00 0.00 C ATOM 440 OH TYR A 28 -0.162 3.149 8.090 1.00 0.00 O ATOM 0 H TYR A 28 2.723 -2.022 4.607 1.00 0.00 H new ATOM 0 HA TYR A 28 0.677 -2.652 6.525 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.938 -1.168 3.919 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.663 -1.679 4.414 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.281 -1.314 7.444 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.691 1.182 4.132 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.506 0.672 8.871 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.487 3.164 5.563 1.00 0.00 H new ATOM 0 HH TYR A 28 0.433 3.857 7.765 1.00 0.00 H new ATOM 450 N ARG A 29 -0.576 -4.522 5.557 1.00 0.00 N ATOM 451 CA ARG A 29 -1.308 -5.666 5.053 1.00 0.00 C ATOM 452 C ARG A 29 -2.517 -5.170 4.274 1.00 0.00 C ATOM 453 O ARG A 29 -3.226 -4.280 4.742 1.00 0.00 O ATOM 454 CB ARG A 29 -1.753 -6.571 6.210 1.00 0.00 C ATOM 455 CG ARG A 29 -0.665 -7.509 6.716 1.00 0.00 C ATOM 456 CD ARG A 29 0.432 -6.756 7.457 1.00 0.00 C ATOM 457 NE ARG A 29 0.181 -6.683 8.897 1.00 0.00 N ATOM 458 CZ ARG A 29 0.900 -5.944 9.744 1.00 0.00 C ATOM 459 NH1 ARG A 29 1.893 -5.183 9.300 1.00 0.00 N ATOM 460 NH2 ARG A 29 0.615 -5.951 11.040 1.00 0.00 N ATOM 0 H ARG A 29 -0.842 -4.237 6.499 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.664 -6.251 4.397 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.093 -5.947 7.036 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.608 -7.164 5.886 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.106 -8.253 7.379 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.231 -8.049 5.875 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.389 -7.248 7.282 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.513 -5.747 7.053 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.591 -7.231 9.277 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.112 -5.160 8.304 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.437 -4.621 9.955 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.155 -6.522 11.390 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.165 -5.386 11.686 1.00 0.00 H new ATOM 474 N ILE A 30 -2.732 -5.722 3.084 1.00 0.00 N ATOM 475 CA ILE A 30 -3.827 -5.285 2.222 1.00 0.00 C ATOM 476 C ILE A 30 -5.176 -5.522 2.894 1.00 0.00 C ATOM 477 O ILE A 30 -5.593 -6.665 3.088 1.00 0.00 O ATOM 478 CB ILE A 30 -3.803 -6.007 0.857 1.00 0.00 C ATOM 479 CG1 ILE A 30 -2.416 -5.897 0.222 1.00 0.00 C ATOM 480 CG2 ILE A 30 -4.857 -5.427 -0.074 1.00 0.00 C ATOM 481 CD1 ILE A 30 -1.600 -7.166 0.327 1.00 0.00 C ATOM 0 H ILE A 30 -2.163 -6.473 2.694 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.689 -4.217 2.052 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.030 -7.060 1.021 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.527 -5.632 -0.830 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.870 -5.083 0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.824 -5.949 -1.030 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.844 -5.549 0.373 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.659 -4.367 -0.232 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.629 -7.014 -0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.458 -7.421 1.377 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.124 -7.978 -0.176 1.00 0.00 H new ATOM 493 N PRO A 31 -5.858 -4.433 3.272 1.00 0.00 N ATOM 494 CA PRO A 31 -7.149 -4.492 3.966 1.00 0.00 C ATOM 495 C PRO A 31 -8.228 -5.180 3.144 1.00 0.00 C ATOM 496 O PRO A 31 -8.420 -4.878 1.968 1.00 0.00 O ATOM 497 CB PRO A 31 -7.499 -3.017 4.182 1.00 0.00 C ATOM 498 CG PRO A 31 -6.186 -2.321 4.132 1.00 0.00 C ATOM 499 CD PRO A 31 -5.424 -3.044 3.068 1.00 0.00 C ATOM 0 HA PRO A 31 -7.088 -5.073 4.886 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.174 -2.650 3.409 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.996 -2.861 5.139 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.305 -1.265 3.888 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.673 -2.371 5.092 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.672 -2.681 2.071 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.347 -2.931 3.189 1.00 0.00 H new ATOM 507 N LYS A 32 -8.928 -6.106 3.778 1.00 0.00 N ATOM 508 CA LYS A 32 -10.017 -6.825 3.135 1.00 0.00 C ATOM 509 C LYS A 32 -11.351 -6.298 3.646 1.00 0.00 C ATOM 510 O LYS A 32 -12.403 -6.903 3.439 1.00 0.00 O ATOM 511 CB LYS A 32 -9.898 -8.326 3.422 1.00 0.00 C ATOM 512 CG LYS A 32 -10.388 -9.211 2.287 1.00 0.00 C ATOM 513 CD LYS A 32 -10.715 -10.614 2.775 1.00 0.00 C ATOM 514 CE LYS A 32 -12.216 -10.849 2.845 1.00 0.00 C ATOM 515 NZ LYS A 32 -12.600 -12.144 2.229 1.00 0.00 N ATOM 0 H LYS A 32 -8.760 -6.380 4.746 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.961 -6.670 2.058 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.855 -8.564 3.631 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.465 -8.560 4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.274 -8.766 1.834 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.625 -9.263 1.510 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.263 -11.347 2.107 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.276 -10.768 3.761 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.539 -10.832 3.886 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.735 -10.036 2.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.630 -12.268 2.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.315 -12.151 1.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.124 -12.921 2.730 1.00 0.00 H new ATOM 529 N ARG A 33 -11.290 -5.158 4.312 1.00 0.00 N ATOM 530 CA ARG A 33 -12.458 -4.573 4.946 1.00 0.00 C ATOM 531 C ARG A 33 -12.506 -3.066 4.720 1.00 0.00 C ATOM 532 O ARG A 33 -11.732 -2.318 5.319 1.00 0.00 O ATOM 533 CB ARG A 33 -12.435 -4.871 6.445 1.00 0.00 C ATOM 534 CG ARG A 33 -13.431 -5.938 6.868 1.00 0.00 C ATOM 535 CD ARG A 33 -14.809 -5.347 7.101 1.00 0.00 C ATOM 536 NE ARG A 33 -14.907 -4.681 8.397 1.00 0.00 N ATOM 537 CZ ARG A 33 -15.654 -5.122 9.408 1.00 0.00 C ATOM 538 NH1 ARG A 33 -16.377 -6.228 9.275 1.00 0.00 N ATOM 539 NH2 ARG A 33 -15.668 -4.454 10.554 1.00 0.00 N ATOM 0 H ARG A 33 -10.435 -4.615 4.428 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.349 -5.014 4.499 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.432 -5.189 6.728 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.645 -3.952 6.993 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.489 -6.709 6.100 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.082 -6.423 7.780 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -15.036 -4.634 6.309 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -15.557 -6.138 7.042 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.370 -3.825 8.537 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.362 -6.744 8.395 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.947 -6.561 10.052 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -15.109 -3.607 10.658 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.238 -4.787 11.331 1.00 0.00 H new ATOM 553 N PRO A 34 -13.402 -2.603 3.836 1.00 0.00 N ATOM 554 CA PRO A 34 -14.245 -3.474 3.017 1.00 0.00 C ATOM 555 C PRO A 34 -13.539 -3.936 1.738 1.00 0.00 C ATOM 556 O PRO A 34 -12.425 -3.502 1.436 1.00 0.00 O ATOM 557 CB PRO A 34 -15.426 -2.571 2.678 1.00 0.00 C ATOM 558 CG PRO A 34 -14.849 -1.197 2.630 1.00 0.00 C ATOM 559 CD PRO A 34 -13.695 -1.179 3.601 1.00 0.00 C ATOM 0 HA PRO A 34 -14.518 -4.394 3.533 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -15.874 -2.846 1.723 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -16.210 -2.645 3.431 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -14.511 -0.954 1.623 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -15.597 -0.453 2.904 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -12.833 -0.658 3.186 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.961 -0.668 4.527 1.00 0.00 H new ATOM 567 N LEU A 35 -14.203 -4.804 0.984 1.00 0.00 N ATOM 568 CA LEU A 35 -13.648 -5.329 -0.260 1.00 0.00 C ATOM 569 C LEU A 35 -13.473 -4.221 -1.296 1.00 0.00 C ATOM 570 O LEU A 35 -12.524 -4.239 -2.077 1.00 0.00 O ATOM 571 CB LEU A 35 -14.550 -6.433 -0.820 1.00 0.00 C ATOM 572 CG LEU A 35 -13.854 -7.758 -1.149 1.00 0.00 C ATOM 573 CD1 LEU A 35 -13.003 -7.626 -2.403 1.00 0.00 C ATOM 574 CD2 LEU A 35 -13.009 -8.224 0.024 1.00 0.00 C ATOM 0 H LEU A 35 -15.131 -5.161 1.213 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.666 -5.748 -0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -15.343 -6.630 -0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.029 -6.061 -1.726 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.623 -8.507 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.519 -8.579 -2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.636 -7.344 -3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.243 -6.860 -2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.523 -9.166 -0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.251 -7.473 0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.646 -8.367 0.897 1.00 0.00 H new ATOM 586 N ILE A 36 -14.389 -3.257 -1.299 1.00 0.00 N ATOM 587 CA ILE A 36 -14.299 -2.123 -2.217 1.00 0.00 C ATOM 588 C ILE A 36 -13.020 -1.324 -1.959 1.00 0.00 C ATOM 589 O ILE A 36 -12.380 -0.833 -2.891 1.00 0.00 O ATOM 590 CB ILE A 36 -15.534 -1.197 -2.098 1.00 0.00 C ATOM 591 CG1 ILE A 36 -16.781 -1.897 -2.654 1.00 0.00 C ATOM 592 CG2 ILE A 36 -15.304 0.122 -2.828 1.00 0.00 C ATOM 593 CD1 ILE A 36 -16.569 -2.545 -4.008 1.00 0.00 C ATOM 0 H ILE A 36 -15.199 -3.237 -0.680 1.00 0.00 H new ATOM 0 HA ILE A 36 -14.272 -2.523 -3.231 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.690 -0.979 -1.042 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -17.105 -2.658 -1.944 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.589 -1.170 -2.733 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -16.188 0.752 -2.728 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.443 0.632 -2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -15.116 -0.074 -3.884 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -17.495 -3.019 -4.334 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.275 -1.786 -4.733 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.784 -3.297 -3.932 1.00 0.00 H new ATOM 605 N LEU A 37 -12.634 -1.227 -0.693 1.00 0.00 N ATOM 606 CA LEU A 37 -11.408 -0.537 -0.321 1.00 0.00 C ATOM 607 C LEU A 37 -10.198 -1.311 -0.836 1.00 0.00 C ATOM 608 O LEU A 37 -9.241 -0.724 -1.334 1.00 0.00 O ATOM 609 CB LEU A 37 -11.342 -0.363 1.199 1.00 0.00 C ATOM 610 CG LEU A 37 -9.971 0.006 1.768 1.00 0.00 C ATOM 611 CD1 LEU A 37 -9.914 1.484 2.117 1.00 0.00 C ATOM 612 CD2 LEU A 37 -9.669 -0.832 2.992 1.00 0.00 C ATOM 0 H LEU A 37 -13.153 -1.618 0.093 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.401 0.453 -0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.054 0.409 1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.671 -1.291 1.667 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.218 -0.197 1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.930 1.725 2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.094 2.077 1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.677 1.712 2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.690 -0.559 3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.430 -0.653 3.752 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.669 -1.887 2.719 1.00 0.00 H new ATOM 624 N ARG A 38 -10.266 -2.637 -0.732 1.00 0.00 N ATOM 625 CA ARG A 38 -9.225 -3.507 -1.272 1.00 0.00 C ATOM 626 C ARG A 38 -9.148 -3.358 -2.791 1.00 0.00 C ATOM 627 O ARG A 38 -8.062 -3.300 -3.366 1.00 0.00 O ATOM 628 CB ARG A 38 -9.506 -4.965 -0.886 1.00 0.00 C ATOM 629 CG ARG A 38 -8.645 -5.983 -1.614 1.00 0.00 C ATOM 630 CD ARG A 38 -8.816 -7.372 -1.026 1.00 0.00 C ATOM 631 NE ARG A 38 -9.246 -8.352 -2.026 1.00 0.00 N ATOM 632 CZ ARG A 38 -9.226 -9.673 -1.836 1.00 0.00 C ATOM 633 NH1 ARG A 38 -8.802 -10.181 -0.687 1.00 0.00 N ATOM 634 NH2 ARG A 38 -9.633 -10.486 -2.797 1.00 0.00 N ATOM 0 H ARG A 38 -11.033 -3.132 -0.278 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.264 -3.215 -0.849 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.354 -5.080 0.187 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.555 -5.185 -1.085 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.911 -5.998 -2.671 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.598 -5.687 -1.553 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.873 -7.696 -0.586 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.548 -7.335 -0.219 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.582 -8.003 -2.924 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.488 -9.561 0.060 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.790 -11.192 -0.550 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.962 -10.103 -3.683 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.618 -11.495 -2.652 1.00 0.00 H new ATOM 648 N GLN A 39 -10.313 -3.285 -3.424 1.00 0.00 N ATOM 649 CA GLN A 39 -10.408 -3.069 -4.866 1.00 0.00 C ATOM 650 C GLN A 39 -9.654 -1.806 -5.275 1.00 0.00 C ATOM 651 O GLN A 39 -8.845 -1.816 -6.206 1.00 0.00 O ATOM 652 CB GLN A 39 -11.877 -2.949 -5.276 1.00 0.00 C ATOM 653 CG GLN A 39 -12.227 -3.689 -6.550 1.00 0.00 C ATOM 654 CD GLN A 39 -13.563 -4.401 -6.457 1.00 0.00 C ATOM 655 OE1 GLN A 39 -14.608 -3.822 -6.750 1.00 0.00 O ATOM 656 NE2 GLN A 39 -13.538 -5.658 -6.039 1.00 0.00 N ATOM 0 H GLN A 39 -11.215 -3.373 -2.956 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.957 -3.922 -5.373 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.501 -3.327 -4.466 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.123 -1.895 -5.402 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.251 -2.984 -7.381 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.446 -4.416 -6.771 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.649 -6.100 -5.806 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.408 -6.183 -5.950 1.00 0.00 H new ATOM 665 N ARG A 40 -9.920 -0.722 -4.560 1.00 0.00 N ATOM 666 CA ARG A 40 -9.284 0.557 -4.837 1.00 0.00 C ATOM 667 C ARG A 40 -7.802 0.515 -4.474 1.00 0.00 C ATOM 668 O ARG A 40 -6.978 1.178 -5.106 1.00 0.00 O ATOM 669 CB ARG A 40 -9.986 1.672 -4.066 1.00 0.00 C ATOM 670 CG ARG A 40 -11.309 2.095 -4.671 1.00 0.00 C ATOM 671 CD ARG A 40 -11.107 3.011 -5.870 1.00 0.00 C ATOM 672 NE ARG A 40 -12.028 4.150 -5.865 1.00 0.00 N ATOM 673 CZ ARG A 40 -11.923 5.196 -6.687 1.00 0.00 C ATOM 674 NH1 ARG A 40 -10.972 5.222 -7.616 1.00 0.00 N ATOM 675 NH2 ARG A 40 -12.775 6.209 -6.589 1.00 0.00 N ATOM 0 H ARG A 40 -10.576 -0.704 -3.779 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.369 0.759 -5.905 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.155 1.342 -3.041 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.326 2.538 -4.017 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.869 1.212 -4.977 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.908 2.607 -3.918 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.080 3.378 -5.875 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.246 2.439 -6.788 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.795 4.143 -5.193 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.321 4.441 -7.701 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.894 6.022 -8.243 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.512 6.189 -5.884 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.693 7.007 -7.218 1.00 0.00 H new ATOM 689 N TRP A 41 -7.474 -0.271 -3.453 1.00 0.00 N ATOM 690 CA TRP A 41 -6.088 -0.463 -3.031 1.00 0.00 C ATOM 691 C TRP A 41 -5.260 -1.075 -4.160 1.00 0.00 C ATOM 692 O TRP A 41 -4.148 -0.630 -4.445 1.00 0.00 O ATOM 693 CB TRP A 41 -6.038 -1.365 -1.793 1.00 0.00 C ATOM 694 CG TRP A 41 -5.704 -0.627 -0.542 1.00 0.00 C ATOM 695 CD1 TRP A 41 -6.410 0.397 0.022 1.00 0.00 C ATOM 696 CD2 TRP A 41 -4.571 -0.852 0.300 1.00 0.00 C ATOM 697 NE1 TRP A 41 -5.783 0.822 1.168 1.00 0.00 N ATOM 698 CE2 TRP A 41 -4.652 0.069 1.359 1.00 0.00 C ATOM 699 CE3 TRP A 41 -3.493 -1.748 0.261 1.00 0.00 C ATOM 700 CZ2 TRP A 41 -3.696 0.122 2.368 1.00 0.00 C ATOM 701 CZ3 TRP A 41 -2.546 -1.689 1.262 1.00 0.00 C ATOM 702 CH2 TRP A 41 -2.654 -0.764 2.304 1.00 0.00 C ATOM 0 H TRP A 41 -8.155 -0.790 -2.898 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.664 0.510 -2.782 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -7.003 -1.857 -1.670 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.298 -2.150 -1.953 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.325 0.811 -0.374 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.105 1.574 1.777 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -3.406 -2.470 -0.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -3.773 0.837 3.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.707 -2.369 1.240 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.899 -0.748 3.076 1.00 0.00 H new ATOM 713 N LEU A 42 -5.827 -2.083 -4.814 1.00 0.00 N ATOM 714 CA LEU A 42 -5.149 -2.777 -5.906 1.00 0.00 C ATOM 715 C LEU A 42 -5.060 -1.901 -7.153 1.00 0.00 C ATOM 716 O LEU A 42 -4.240 -2.154 -8.038 1.00 0.00 O ATOM 717 CB LEU A 42 -5.877 -4.080 -6.247 1.00 0.00 C ATOM 718 CG LEU A 42 -6.202 -4.983 -5.055 1.00 0.00 C ATOM 719 CD1 LEU A 42 -6.841 -6.278 -5.524 1.00 0.00 C ATOM 720 CD2 LEU A 42 -4.949 -5.267 -4.242 1.00 0.00 C ATOM 0 H LEU A 42 -6.760 -2.440 -4.606 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.137 -3.004 -5.571 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.808 -3.833 -6.758 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.266 -4.644 -6.952 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.914 -4.463 -4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.065 -6.906 -4.662 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.764 -6.055 -6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.154 -6.803 -6.187 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.200 -5.910 -3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.212 -5.765 -4.872 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.535 -4.329 -3.872 1.00 0.00 H new ATOM 732 N THR A 43 -5.897 -0.871 -7.203 1.00 0.00 N ATOM 733 CA THR A 43 -5.986 0.014 -8.360 1.00 0.00 C ATOM 734 C THR A 43 -4.632 0.645 -8.707 1.00 0.00 C ATOM 735 O THR A 43 -4.232 0.670 -9.872 1.00 0.00 O ATOM 736 CB THR A 43 -7.037 1.124 -8.117 1.00 0.00 C ATOM 737 OG1 THR A 43 -8.360 0.585 -8.270 1.00 0.00 O ATOM 738 CG2 THR A 43 -6.856 2.305 -9.064 1.00 0.00 C ATOM 0 H THR A 43 -6.533 -0.626 -6.444 1.00 0.00 H new ATOM 0 HA THR A 43 -6.296 -0.598 -9.207 1.00 0.00 H new ATOM 0 HB THR A 43 -6.895 1.489 -7.100 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.485 -0.159 -7.644 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.616 3.058 -8.856 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.866 2.739 -8.920 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.956 1.964 -10.094 1.00 0.00 H new ATOM 746 N ALA A 44 -3.916 1.122 -7.697 1.00 0.00 N ATOM 747 CA ALA A 44 -2.664 1.837 -7.927 1.00 0.00 C ATOM 748 C ALA A 44 -1.524 0.886 -8.284 1.00 0.00 C ATOM 749 O ALA A 44 -0.644 1.230 -9.074 1.00 0.00 O ATOM 750 CB ALA A 44 -2.299 2.668 -6.714 1.00 0.00 C ATOM 0 H ALA A 44 -4.177 1.028 -6.715 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.817 2.500 -8.779 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.363 3.195 -6.902 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.090 3.392 -6.518 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.181 2.016 -5.848 1.00 0.00 H new ATOM 756 N ILE A 45 -1.546 -0.314 -7.715 1.00 0.00 N ATOM 757 CA ILE A 45 -0.504 -1.299 -7.983 1.00 0.00 C ATOM 758 C ILE A 45 -0.745 -1.980 -9.320 1.00 0.00 C ATOM 759 O ILE A 45 0.172 -2.545 -9.917 1.00 0.00 O ATOM 760 CB ILE A 45 -0.416 -2.385 -6.886 1.00 0.00 C ATOM 761 CG1 ILE A 45 -1.498 -2.190 -5.819 1.00 0.00 C ATOM 762 CG2 ILE A 45 0.960 -2.376 -6.250 1.00 0.00 C ATOM 763 CD1 ILE A 45 -1.571 -3.319 -4.810 1.00 0.00 C ATOM 0 H ILE A 45 -2.270 -0.628 -7.068 1.00 0.00 H new ATOM 0 HA ILE A 45 0.438 -0.750 -7.999 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.584 -3.354 -7.357 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.311 -1.255 -5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.466 -2.091 -6.310 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.010 -3.145 -5.479 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.714 -2.576 -7.011 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.147 -1.400 -5.802 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.360 -3.110 -4.087 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.790 -4.254 -5.326 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.616 -3.405 -4.291 1.00 0.00 H new ATOM 775 N GLY A 46 -1.988 -1.927 -9.778 1.00 0.00 N ATOM 776 CA GLY A 46 -2.344 -2.551 -11.033 1.00 0.00 C ATOM 777 C GLY A 46 -2.332 -4.059 -10.933 1.00 0.00 C ATOM 778 O GLY A 46 -2.216 -4.758 -11.941 1.00 0.00 O ATOM 0 H GLY A 46 -2.758 -1.460 -9.299 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.335 -2.215 -11.338 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.647 -2.232 -11.808 1.00 0.00 H new ATOM 782 N ARG A 47 -2.454 -4.559 -9.715 1.00 0.00 N ATOM 783 CA ARG A 47 -2.431 -5.992 -9.471 1.00 0.00 C ATOM 784 C ARG A 47 -3.847 -6.515 -9.295 1.00 0.00 C ATOM 785 O ARG A 47 -4.792 -5.734 -9.180 1.00 0.00 O ATOM 786 CB ARG A 47 -1.595 -6.310 -8.231 1.00 0.00 C ATOM 787 CG ARG A 47 -0.208 -6.833 -8.557 1.00 0.00 C ATOM 788 CD ARG A 47 0.674 -6.869 -7.323 1.00 0.00 C ATOM 789 NE ARG A 47 1.512 -8.066 -7.283 1.00 0.00 N ATOM 790 CZ ARG A 47 2.719 -8.146 -7.840 1.00 0.00 C ATOM 791 NH1 ARG A 47 3.226 -7.105 -8.485 1.00 0.00 N ATOM 792 NH2 ARG A 47 3.422 -9.266 -7.759 1.00 0.00 N ATOM 0 H ARG A 47 -2.571 -3.991 -8.876 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.977 -6.483 -10.331 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.502 -5.410 -7.624 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.121 -7.049 -7.627 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.285 -7.835 -8.980 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.252 -6.201 -9.316 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.308 -5.982 -7.304 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.050 -6.834 -6.430 1.00 0.00 H new ATOM 0 HE ARG A 47 1.151 -8.889 -6.800 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.691 -6.239 -8.556 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.151 -7.170 -8.910 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.039 -10.074 -7.268 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.346 -9.320 -8.188 1.00 0.00 H new ATOM 806 N THR A 48 -3.991 -7.829 -9.273 1.00 0.00 N ATOM 807 CA THR A 48 -5.291 -8.444 -9.098 1.00 0.00 C ATOM 808 C THR A 48 -5.336 -9.223 -7.783 1.00 0.00 C ATOM 809 O THR A 48 -4.369 -9.214 -7.022 1.00 0.00 O ATOM 810 CB THR A 48 -5.623 -9.368 -10.286 1.00 0.00 C ATOM 811 OG1 THR A 48 -4.717 -9.108 -11.370 1.00 0.00 O ATOM 812 CG2 THR A 48 -7.054 -9.153 -10.759 1.00 0.00 C ATOM 0 H THR A 48 -3.221 -8.490 -9.375 1.00 0.00 H new ATOM 0 HA THR A 48 -6.043 -7.655 -9.062 1.00 0.00 H new ATOM 0 HB THR A 48 -5.518 -10.401 -9.956 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.930 -9.698 -12.123 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.263 -9.817 -11.598 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.743 -9.371 -9.943 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.181 -8.118 -11.075 1.00 0.00 H new ATOM 820 N GLU A 49 -6.440 -9.911 -7.533 1.00 0.00 N ATOM 821 CA GLU A 49 -6.678 -10.552 -6.243 1.00 0.00 C ATOM 822 C GLU A 49 -5.770 -11.764 -6.037 1.00 0.00 C ATOM 823 O GLU A 49 -5.412 -12.094 -4.908 1.00 0.00 O ATOM 824 CB GLU A 49 -8.147 -10.969 -6.132 1.00 0.00 C ATOM 825 CG GLU A 49 -9.104 -10.014 -6.830 1.00 0.00 C ATOM 826 CD GLU A 49 -10.308 -9.664 -5.980 1.00 0.00 C ATOM 827 OE1 GLU A 49 -10.127 -9.052 -4.908 1.00 0.00 O ATOM 828 OE2 GLU A 49 -11.440 -10.012 -6.374 1.00 0.00 O ATOM 0 H GLU A 49 -7.192 -10.042 -8.210 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.444 -9.829 -5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.267 -11.966 -6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.418 -11.037 -5.079 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.571 -9.100 -7.091 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.442 -10.464 -7.763 1.00 0.00 H new ATOM 835 N GLU A 50 -5.399 -12.425 -7.125 1.00 0.00 N ATOM 836 CA GLU A 50 -4.547 -13.610 -7.042 1.00 0.00 C ATOM 837 C GLU A 50 -3.070 -13.226 -7.095 1.00 0.00 C ATOM 838 O GLU A 50 -2.191 -14.077 -6.965 1.00 0.00 O ATOM 839 CB GLU A 50 -4.870 -14.599 -8.169 1.00 0.00 C ATOM 840 CG GLU A 50 -6.254 -14.421 -8.775 1.00 0.00 C ATOM 841 CD GLU A 50 -6.247 -13.475 -9.954 1.00 0.00 C ATOM 842 OE1 GLU A 50 -6.149 -12.253 -9.737 1.00 0.00 O ATOM 843 OE2 GLU A 50 -6.324 -13.947 -11.106 1.00 0.00 O ATOM 0 H GLU A 50 -5.672 -12.165 -8.073 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.748 -14.093 -6.086 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.124 -14.492 -8.956 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.782 -15.614 -7.783 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.637 -15.391 -9.093 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.936 -14.043 -8.013 1.00 0.00 H new ATOM 850 N THR A 51 -2.803 -11.943 -7.287 1.00 0.00 N ATOM 851 CA THR A 51 -1.434 -11.442 -7.323 1.00 0.00 C ATOM 852 C THR A 51 -1.143 -10.601 -6.083 1.00 0.00 C ATOM 853 O THR A 51 -0.140 -9.888 -6.013 1.00 0.00 O ATOM 854 CB THR A 51 -1.193 -10.590 -8.580 1.00 0.00 C ATOM 855 OG1 THR A 51 -2.451 -10.227 -9.171 1.00 0.00 O ATOM 856 CG2 THR A 51 -0.352 -11.345 -9.598 1.00 0.00 C ATOM 0 H THR A 51 -3.517 -11.227 -7.421 1.00 0.00 H new ATOM 0 HA THR A 51 -0.766 -12.303 -7.345 1.00 0.00 H new ATOM 0 HB THR A 51 -0.653 -9.691 -8.283 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.341 -10.128 -10.140 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.197 -10.720 -10.477 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.612 -11.598 -9.157 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.868 -12.259 -9.890 1.00 0.00 H new ATOM 864 N VAL A 52 -2.027 -10.703 -5.104 1.00 0.00 N ATOM 865 CA VAL A 52 -1.953 -9.885 -3.907 1.00 0.00 C ATOM 866 C VAL A 52 -2.466 -10.664 -2.700 1.00 0.00 C ATOM 867 O VAL A 52 -2.960 -11.781 -2.848 1.00 0.00 O ATOM 868 CB VAL A 52 -2.770 -8.582 -4.102 1.00 0.00 C ATOM 869 CG1 VAL A 52 -4.253 -8.812 -3.849 1.00 0.00 C ATOM 870 CG2 VAL A 52 -2.239 -7.461 -3.224 1.00 0.00 C ATOM 0 H VAL A 52 -2.813 -11.353 -5.117 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.912 -9.619 -3.726 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.653 -8.278 -5.142 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.796 -7.878 -3.994 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.629 -9.562 -4.545 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.398 -9.160 -2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.833 -6.561 -3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.304 -7.757 -2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.199 -7.260 -3.480 1.00 0.00 H new ATOM 880 N VAL A 53 -2.298 -10.081 -1.514 1.00 0.00 N ATOM 881 CA VAL A 53 -2.818 -10.638 -0.263 1.00 0.00 C ATOM 882 C VAL A 53 -1.899 -11.720 0.314 1.00 0.00 C ATOM 883 O VAL A 53 -1.537 -11.656 1.488 1.00 0.00 O ATOM 884 CB VAL A 53 -4.258 -11.201 -0.418 1.00 0.00 C ATOM 885 CG1 VAL A 53 -4.698 -11.950 0.835 1.00 0.00 C ATOM 886 CG2 VAL A 53 -5.240 -10.081 -0.736 1.00 0.00 C ATOM 0 H VAL A 53 -1.794 -9.203 -1.392 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.852 -9.803 0.437 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.250 -11.907 -1.248 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.709 -12.331 0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.019 -12.782 1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.681 -11.272 1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.243 -10.495 -0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.232 -9.350 0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.949 -9.595 -1.667 1.00 0.00 H new ATOM 896 N SER A 54 -1.512 -12.689 -0.520 1.00 0.00 N ATOM 897 CA SER A 54 -0.741 -13.854 -0.075 1.00 0.00 C ATOM 898 C SER A 54 0.505 -13.459 0.724 1.00 0.00 C ATOM 899 O SER A 54 0.498 -13.475 1.955 1.00 0.00 O ATOM 900 CB SER A 54 -0.345 -14.698 -1.290 1.00 0.00 C ATOM 901 OG SER A 54 -0.464 -13.949 -2.492 1.00 0.00 O ATOM 0 H SER A 54 -1.723 -12.689 -1.518 1.00 0.00 H new ATOM 0 HA SER A 54 -1.375 -14.436 0.593 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.681 -15.048 -1.175 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.979 -15.583 -1.345 1.00 0.00 H new ATOM 0 HG SER A 54 -0.204 -14.509 -3.253 1.00 0.00 H new ATOM 907 N GLN A 55 1.576 -13.119 0.023 1.00 0.00 N ATOM 908 CA GLN A 55 2.819 -12.726 0.677 1.00 0.00 C ATOM 909 C GLN A 55 3.173 -11.290 0.320 1.00 0.00 C ATOM 910 O GLN A 55 4.273 -10.814 0.602 1.00 0.00 O ATOM 911 CB GLN A 55 3.955 -13.664 0.266 1.00 0.00 C ATOM 912 CG GLN A 55 4.246 -13.642 -1.226 1.00 0.00 C ATOM 913 CD GLN A 55 5.716 -13.460 -1.533 1.00 0.00 C ATOM 914 OE1 GLN A 55 6.264 -14.127 -2.410 1.00 0.00 O ATOM 915 NE2 GLN A 55 6.364 -12.554 -0.820 1.00 0.00 N ATOM 0 H GLN A 55 1.612 -13.107 -0.996 1.00 0.00 H new ATOM 0 HA GLN A 55 2.679 -12.795 1.756 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.859 -13.388 0.809 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.702 -14.681 0.564 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.899 -14.573 -1.673 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.680 -12.835 -1.690 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.872 -12.022 -0.102 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.356 -12.387 -0.988 1.00 0.00 H new ATOM 924 N LEU A 56 2.228 -10.608 -0.309 1.00 0.00 N ATOM 925 CA LEU A 56 2.450 -9.249 -0.776 1.00 0.00 C ATOM 926 C LEU A 56 2.161 -8.246 0.328 1.00 0.00 C ATOM 927 O LEU A 56 1.210 -8.413 1.095 1.00 0.00 O ATOM 928 CB LEU A 56 1.567 -8.960 -1.989 1.00 0.00 C ATOM 929 CG LEU A 56 2.216 -8.092 -3.064 1.00 0.00 C ATOM 930 CD1 LEU A 56 2.807 -8.961 -4.160 1.00 0.00 C ATOM 931 CD2 LEU A 56 1.202 -7.115 -3.639 1.00 0.00 C ATOM 0 H LEU A 56 1.297 -10.975 -0.508 1.00 0.00 H new ATOM 0 HA LEU A 56 3.497 -9.152 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.270 -9.908 -2.438 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.655 -8.469 -1.648 1.00 0.00 H new ATOM 0 HG LEU A 56 3.024 -7.519 -2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.266 -8.327 -4.919 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.562 -9.621 -3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.018 -9.559 -4.616 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.680 -6.503 -4.404 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.374 -7.669 -4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.825 -6.472 -2.844 1.00 0.00 H new ATOM 943 N ARG A 57 2.993 -7.219 0.414 1.00 0.00 N ATOM 944 CA ARG A 57 2.809 -6.146 1.378 1.00 0.00 C ATOM 945 C ARG A 57 3.041 -4.807 0.693 1.00 0.00 C ATOM 946 O ARG A 57 3.529 -4.766 -0.436 1.00 0.00 O ATOM 947 CB ARG A 57 3.775 -6.308 2.556 1.00 0.00 C ATOM 948 CG ARG A 57 3.587 -7.598 3.341 1.00 0.00 C ATOM 949 CD ARG A 57 2.218 -7.665 3.996 1.00 0.00 C ATOM 950 NE ARG A 57 2.081 -8.842 4.852 1.00 0.00 N ATOM 951 CZ ARG A 57 1.383 -9.932 4.525 1.00 0.00 C ATOM 952 NH1 ARG A 57 0.773 -10.008 3.346 1.00 0.00 N ATOM 953 NH2 ARG A 57 1.306 -10.951 5.368 1.00 0.00 N ATOM 0 H ARG A 57 3.813 -7.106 -0.182 1.00 0.00 H new ATOM 0 HA ARG A 57 1.790 -6.187 1.763 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.798 -6.269 2.181 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.651 -5.462 3.232 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.713 -8.451 2.674 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.360 -7.674 4.106 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.054 -6.764 4.588 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.447 -7.685 3.225 1.00 0.00 H new ATOM 0 HE ARG A 57 2.549 -8.830 5.758 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.837 -9.232 2.688 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.241 -10.843 3.100 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.781 -10.904 6.270 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.772 -11.783 5.116 1.00 0.00 H new ATOM 967 N ILE A 58 2.673 -3.724 1.359 1.00 0.00 N ATOM 968 CA ILE A 58 2.862 -2.387 0.809 1.00 0.00 C ATOM 969 C ILE A 58 3.527 -1.473 1.838 1.00 0.00 C ATOM 970 O ILE A 58 3.160 -1.486 3.015 1.00 0.00 O ATOM 971 CB ILE A 58 1.517 -1.761 0.364 1.00 0.00 C ATOM 972 CG1 ILE A 58 0.746 -2.701 -0.575 1.00 0.00 C ATOM 973 CG2 ILE A 58 1.754 -0.418 -0.310 1.00 0.00 C ATOM 974 CD1 ILE A 58 1.423 -2.930 -1.915 1.00 0.00 C ATOM 0 H ILE A 58 2.241 -3.743 2.283 1.00 0.00 H new ATOM 0 HA ILE A 58 3.506 -2.484 -0.065 1.00 0.00 H new ATOM 0 HB ILE A 58 0.910 -1.606 1.256 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.611 -3.662 -0.079 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.248 -2.289 -0.748 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.799 0.009 -0.617 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.246 0.258 0.389 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.387 -0.557 -1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.816 -3.604 -2.519 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.534 -1.978 -2.434 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.406 -3.372 -1.755 1.00 0.00 H new ATOM 986 N CYS A 59 4.518 -0.700 1.396 1.00 0.00 N ATOM 987 CA CYS A 59 5.191 0.257 2.269 1.00 0.00 C ATOM 988 C CYS A 59 4.235 1.342 2.751 1.00 0.00 C ATOM 989 O CYS A 59 3.304 1.731 2.046 1.00 0.00 O ATOM 990 CB CYS A 59 6.362 0.925 1.549 1.00 0.00 C ATOM 991 SG CYS A 59 7.434 -0.220 0.633 1.00 0.00 S ATOM 0 H CYS A 59 4.871 -0.719 0.439 1.00 0.00 H new ATOM 0 HA CYS A 59 5.558 -0.305 3.127 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.969 1.669 0.856 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.966 1.460 2.282 1.00 0.00 H new ATOM 0 HG CYS A 59 6.739 -0.826 -0.283 1.00 0.00 H new ATOM 996 N SER A 60 4.497 1.853 3.942 1.00 0.00 N ATOM 997 CA SER A 60 3.708 2.934 4.503 1.00 0.00 C ATOM 998 C SER A 60 4.049 4.261 3.827 1.00 0.00 C ATOM 999 O SER A 60 3.343 5.257 3.984 1.00 0.00 O ATOM 1000 CB SER A 60 3.971 3.017 6.001 1.00 0.00 C ATOM 1001 OG SER A 60 4.992 2.103 6.370 1.00 0.00 O ATOM 0 H SER A 60 5.257 1.533 4.543 1.00 0.00 H new ATOM 0 HA SER A 60 2.651 2.734 4.329 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.266 4.031 6.270 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.057 2.794 6.551 1.00 0.00 H new ATOM 0 HG SER A 60 4.594 1.227 6.559 1.00 0.00 H new ATOM 1007 N ALA A 61 5.131 4.258 3.055 1.00 0.00 N ATOM 1008 CA ALA A 61 5.585 5.454 2.360 1.00 0.00 C ATOM 1009 C ALA A 61 4.740 5.720 1.119 1.00 0.00 C ATOM 1010 O ALA A 61 4.858 6.764 0.487 1.00 0.00 O ATOM 1011 CB ALA A 61 7.052 5.312 1.989 1.00 0.00 C ATOM 0 H ALA A 61 5.712 3.435 2.895 1.00 0.00 H new ATOM 0 HA ALA A 61 5.471 6.307 3.029 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.385 6.211 1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.645 5.176 2.894 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.181 4.448 1.338 1.00 0.00 H new ATOM 1017 N HIS A 62 3.877 4.769 0.786 1.00 0.00 N ATOM 1018 CA HIS A 62 2.999 4.900 -0.372 1.00 0.00 C ATOM 1019 C HIS A 62 1.707 5.614 0.017 1.00 0.00 C ATOM 1020 O HIS A 62 0.714 5.564 -0.702 1.00 0.00 O ATOM 1021 CB HIS A 62 2.668 3.517 -0.949 1.00 0.00 C ATOM 1022 CG HIS A 62 3.852 2.780 -1.492 1.00 0.00 C ATOM 1023 ND1 HIS A 62 4.498 3.107 -2.671 1.00 0.00 N ATOM 1024 CD2 HIS A 62 4.507 1.697 -0.995 1.00 0.00 C ATOM 1025 CE1 HIS A 62 5.505 2.233 -2.844 1.00 0.00 C ATOM 1026 NE2 HIS A 62 5.541 1.370 -1.855 1.00 0.00 N ATOM 0 H HIS A 62 3.765 3.896 1.302 1.00 0.00 H new ATOM 0 HA HIS A 62 3.517 5.489 -1.129 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.204 2.912 -0.170 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.931 3.634 -1.744 1.00 0.00 H new ATOM 0 HD1 HIS A 62 4.254 3.874 -3.297 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.261 1.178 -0.080 1.00 0.00 H new ATOM 0 HE1 HIS A 62 6.189 2.240 -3.680 1.00 0.00 H new ATOM 1034 N PHE A 63 1.728 6.271 1.169 1.00 0.00 N ATOM 1035 CA PHE A 63 0.536 6.911 1.712 1.00 0.00 C ATOM 1036 C PHE A 63 0.833 8.341 2.133 1.00 0.00 C ATOM 1037 O PHE A 63 1.967 8.673 2.485 1.00 0.00 O ATOM 1038 CB PHE A 63 0.014 6.123 2.917 1.00 0.00 C ATOM 1039 CG PHE A 63 -0.363 4.709 2.593 1.00 0.00 C ATOM 1040 CD1 PHE A 63 0.604 3.722 2.514 1.00 0.00 C ATOM 1041 CD2 PHE A 63 -1.681 4.371 2.356 1.00 0.00 C ATOM 1042 CE1 PHE A 63 0.261 2.425 2.208 1.00 0.00 C ATOM 1043 CE2 PHE A 63 -2.030 3.074 2.052 1.00 0.00 C ATOM 1044 CZ PHE A 63 -1.056 2.100 1.974 1.00 0.00 C ATOM 0 H PHE A 63 2.561 6.375 1.748 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.224 6.925 0.931 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.778 6.117 3.695 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.855 6.637 3.327 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.639 3.972 2.694 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.446 5.132 2.410 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.024 1.663 2.151 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.065 2.820 1.875 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.327 1.083 1.730 1.00 0.00 H new ATOM 1054 N GLU A 64 -0.195 9.176 2.106 1.00 0.00 N ATOM 1055 CA GLU A 64 -0.074 10.558 2.540 1.00 0.00 C ATOM 1056 C GLU A 64 0.144 10.616 4.046 1.00 0.00 C ATOM 1057 O GLU A 64 -0.798 10.480 4.827 1.00 0.00 O ATOM 1058 CB GLU A 64 -1.328 11.343 2.159 1.00 0.00 C ATOM 1059 CG GLU A 64 -1.034 12.625 1.403 1.00 0.00 C ATOM 1060 CD GLU A 64 -2.228 13.553 1.347 1.00 0.00 C ATOM 1061 OE1 GLU A 64 -3.338 13.132 1.748 1.00 0.00 O ATOM 1062 OE2 GLU A 64 -2.065 14.707 0.902 1.00 0.00 O ATOM 0 H GLU A 64 -1.128 8.917 1.786 1.00 0.00 H new ATOM 0 HA GLU A 64 0.785 11.008 2.042 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.971 10.710 1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.885 11.584 3.064 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.200 13.140 1.879 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.720 12.380 0.388 1.00 0.00 H new ATOM 1069 N GLY A 65 1.394 10.785 4.447 1.00 0.00 N ATOM 1070 CA GLY A 65 1.725 10.808 5.857 1.00 0.00 C ATOM 1071 C GLY A 65 2.049 9.423 6.381 1.00 0.00 C ATOM 1072 O GLY A 65 2.553 9.269 7.493 1.00 0.00 O ATOM 0 H GLY A 65 2.189 10.907 3.819 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.578 11.467 6.020 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.889 11.223 6.420 1.00 0.00 H new ATOM 1076 N GLY A 66 1.770 8.416 5.564 1.00 0.00 N ATOM 1077 CA GLY A 66 2.020 7.044 5.958 1.00 0.00 C ATOM 1078 C GLY A 66 1.036 6.557 6.999 1.00 0.00 C ATOM 1079 O GLY A 66 1.439 6.048 8.045 1.00 0.00 O ATOM 0 H GLY A 66 1.373 8.526 4.631 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.965 6.400 5.080 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.033 6.960 6.352 1.00 0.00 H new ATOM 1083 N GLU A 67 -0.252 6.712 6.720 1.00 0.00 N ATOM 1084 CA GLU A 67 -1.288 6.324 7.666 1.00 0.00 C ATOM 1085 C GLU A 67 -2.465 5.661 6.955 1.00 0.00 C ATOM 1086 O GLU A 67 -3.315 6.335 6.371 1.00 0.00 O ATOM 1087 CB GLU A 67 -1.771 7.547 8.449 1.00 0.00 C ATOM 1088 CG GLU A 67 -2.065 7.255 9.911 1.00 0.00 C ATOM 1089 CD GLU A 67 -0.824 6.882 10.695 1.00 0.00 C ATOM 1090 OE1 GLU A 67 -0.013 7.783 11.000 1.00 0.00 O ATOM 1091 OE2 GLU A 67 -0.656 5.688 11.013 1.00 0.00 O ATOM 0 H GLU A 67 -0.603 7.104 5.846 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.858 5.600 8.358 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.014 8.329 8.388 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.672 7.938 7.977 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.527 8.131 10.366 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.789 6.442 9.976 1.00 0.00 H new ATOM 1098 N LYS A 68 -2.504 4.337 6.998 1.00 0.00 N ATOM 1099 CA LYS A 68 -3.624 3.583 6.446 1.00 0.00 C ATOM 1100 C LYS A 68 -4.796 3.627 7.422 1.00 0.00 C ATOM 1101 O LYS A 68 -4.963 2.736 8.259 1.00 0.00 O ATOM 1102 CB LYS A 68 -3.203 2.134 6.169 1.00 0.00 C ATOM 1103 CG LYS A 68 -4.335 1.226 5.710 1.00 0.00 C ATOM 1104 CD LYS A 68 -4.032 -0.236 6.006 1.00 0.00 C ATOM 1105 CE LYS A 68 -3.770 -0.472 7.487 1.00 0.00 C ATOM 1106 NZ LYS A 68 -5.025 -0.474 8.286 1.00 0.00 N ATOM 0 H LYS A 68 -1.771 3.760 7.411 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.933 4.032 5.502 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.423 2.135 5.408 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.764 1.717 7.075 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.260 1.515 6.209 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.496 1.356 4.640 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.870 -0.853 5.683 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.163 -0.551 5.429 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.257 -1.425 7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.102 0.303 7.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.869 -0.988 9.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.304 0.505 8.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.780 -0.941 7.745 1.00 0.00 H new ATOM 1120 N LYS A 69 -5.592 4.682 7.331 1.00 0.00 N ATOM 1121 CA LYS A 69 -6.720 4.858 8.230 1.00 0.00 C ATOM 1122 C LYS A 69 -7.908 5.483 7.513 1.00 0.00 C ATOM 1123 O LYS A 69 -8.971 4.876 7.408 1.00 0.00 O ATOM 1124 CB LYS A 69 -6.317 5.731 9.418 1.00 0.00 C ATOM 1125 CG LYS A 69 -6.536 5.063 10.762 1.00 0.00 C ATOM 1126 CD LYS A 69 -5.355 5.284 11.691 1.00 0.00 C ATOM 1127 CE LYS A 69 -5.770 5.209 13.150 1.00 0.00 C ATOM 1128 NZ LYS A 69 -6.078 3.817 13.573 1.00 0.00 N ATOM 0 H LYS A 69 -5.477 5.427 6.644 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.017 3.872 8.588 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.265 5.999 9.321 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.886 6.660 9.386 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.442 5.458 11.223 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.692 3.994 10.617 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.589 4.535 11.491 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.909 6.258 11.488 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.971 5.609 13.775 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.645 5.838 13.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.357 3.812 14.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.858 3.443 12.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.235 3.221 13.445 1.00 0.00 H new ATOM 1142 N GLU A 70 -7.711 6.688 6.996 1.00 0.00 N ATOM 1143 CA GLU A 70 -8.801 7.455 6.405 1.00 0.00 C ATOM 1144 C GLU A 70 -9.001 7.098 4.931 1.00 0.00 C ATOM 1145 O GLU A 70 -9.093 7.977 4.075 1.00 0.00 O ATOM 1146 CB GLU A 70 -8.536 8.956 6.560 1.00 0.00 C ATOM 1147 CG GLU A 70 -7.954 9.341 7.912 1.00 0.00 C ATOM 1148 CD GLU A 70 -8.998 9.361 9.012 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -9.658 10.407 9.187 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -9.155 8.338 9.718 1.00 0.00 O ATOM 0 H GLU A 70 -6.805 7.157 6.973 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.718 7.199 6.936 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.851 9.277 5.775 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.470 9.498 6.409 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.165 8.637 8.178 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.491 10.325 7.837 1.00 0.00 H new ATOM 1157 N GLY A 71 -9.071 5.801 4.653 1.00 0.00 N ATOM 1158 CA GLY A 71 -9.306 5.335 3.298 1.00 0.00 C ATOM 1159 C GLY A 71 -8.153 5.632 2.361 1.00 0.00 C ATOM 1160 O GLY A 71 -8.349 5.789 1.155 1.00 0.00 O ATOM 0 H GLY A 71 -8.969 5.060 5.346 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.485 4.260 3.315 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.211 5.803 2.911 1.00 0.00 H new ATOM 1164 N ASP A 72 -6.950 5.712 2.913 1.00 0.00 N ATOM 1165 CA ASP A 72 -5.758 6.001 2.122 1.00 0.00 C ATOM 1166 C ASP A 72 -5.384 4.800 1.266 1.00 0.00 C ATOM 1167 O ASP A 72 -5.344 3.666 1.752 1.00 0.00 O ATOM 1168 CB ASP A 72 -4.581 6.368 3.032 1.00 0.00 C ATOM 1169 CG ASP A 72 -4.357 7.863 3.134 1.00 0.00 C ATOM 1170 OD1 ASP A 72 -3.842 8.469 2.170 1.00 0.00 O ATOM 1171 OD2 ASP A 72 -4.701 8.445 4.183 1.00 0.00 O ATOM 0 H ASP A 72 -6.772 5.581 3.909 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.981 6.848 1.473 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.759 5.964 4.028 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.675 5.895 2.654 1.00 0.00 H new ATOM 1176 N ILE A 73 -5.128 5.056 -0.006 1.00 0.00 N ATOM 1177 CA ILE A 73 -4.714 4.020 -0.940 1.00 0.00 C ATOM 1178 C ILE A 73 -3.218 4.142 -1.219 1.00 0.00 C ATOM 1179 O ILE A 73 -2.688 5.250 -1.282 1.00 0.00 O ATOM 1180 CB ILE A 73 -5.513 4.135 -2.261 1.00 0.00 C ATOM 1181 CG1 ILE A 73 -6.958 3.709 -2.030 1.00 0.00 C ATOM 1182 CG2 ILE A 73 -4.897 3.303 -3.381 1.00 0.00 C ATOM 1183 CD1 ILE A 73 -7.887 4.120 -3.142 1.00 0.00 C ATOM 0 H ILE A 73 -5.201 5.985 -0.420 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.916 3.045 -0.496 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.480 5.178 -2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.996 2.626 -1.916 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.311 4.140 -1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.492 3.416 -4.287 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.879 3.644 -3.570 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.879 2.254 -3.087 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.899 3.785 -2.913 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.878 5.205 -3.241 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.558 3.667 -4.077 1.00 0.00 H new ATOM 1195 N PRO A 74 -2.511 3.014 -1.374 1.00 0.00 N ATOM 1196 CA PRO A 74 -1.079 3.027 -1.648 1.00 0.00 C ATOM 1197 C PRO A 74 -0.776 3.564 -3.042 1.00 0.00 C ATOM 1198 O PRO A 74 -1.045 2.904 -4.042 1.00 0.00 O ATOM 1199 CB PRO A 74 -0.677 1.555 -1.540 1.00 0.00 C ATOM 1200 CG PRO A 74 -1.922 0.796 -1.827 1.00 0.00 C ATOM 1201 CD PRO A 74 -3.049 1.645 -1.312 1.00 0.00 C ATOM 0 HA PRO A 74 -0.534 3.675 -0.961 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.110 1.307 -2.252 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.293 1.322 -0.547 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.029 0.611 -2.896 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.909 -0.176 -1.335 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.944 1.538 -1.926 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.326 1.369 -0.294 1.00 0.00 H new ATOM 1209 N VAL A 75 -0.235 4.767 -3.105 1.00 0.00 N ATOM 1210 CA VAL A 75 0.123 5.375 -4.377 1.00 0.00 C ATOM 1211 C VAL A 75 1.605 5.146 -4.659 1.00 0.00 C ATOM 1212 O VAL A 75 2.363 4.815 -3.748 1.00 0.00 O ATOM 1213 CB VAL A 75 -0.196 6.887 -4.395 1.00 0.00 C ATOM 1214 CG1 VAL A 75 -1.689 7.114 -4.194 1.00 0.00 C ATOM 1215 CG2 VAL A 75 0.610 7.627 -3.338 1.00 0.00 C ATOM 0 H VAL A 75 -0.033 5.345 -2.289 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.474 4.903 -5.157 1.00 0.00 H new ATOM 0 HB VAL A 75 0.087 7.286 -5.369 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.900 8.183 -4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.243 6.624 -4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.994 6.697 -3.234 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.367 8.689 -3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.368 7.231 -2.352 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.674 7.492 -3.532 1.00 0.00 H new ATOM 1225 N PRO A 76 2.046 5.297 -5.918 1.00 0.00 N ATOM 1226 CA PRO A 76 3.440 5.033 -6.288 1.00 0.00 C ATOM 1227 C PRO A 76 4.400 5.964 -5.559 1.00 0.00 C ATOM 1228 O PRO A 76 5.477 5.552 -5.125 1.00 0.00 O ATOM 1229 CB PRO A 76 3.476 5.281 -7.801 1.00 0.00 C ATOM 1230 CG PRO A 76 2.274 6.112 -8.094 1.00 0.00 C ATOM 1231 CD PRO A 76 1.239 5.741 -7.069 1.00 0.00 C ATOM 0 HA PRO A 76 3.754 4.025 -6.018 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.391 5.797 -8.093 1.00 0.00 H new ATOM 0 HB3 PRO A 76 3.449 4.342 -8.354 1.00 0.00 H new ATOM 0 HG2 PRO A 76 2.513 7.174 -8.037 1.00 0.00 H new ATOM 0 HG3 PRO A 76 1.907 5.922 -9.103 1.00 0.00 H new ATOM 0 HD2 PRO A 76 0.605 6.590 -6.812 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.582 4.949 -7.429 1.00 0.00 H new ATOM 1239 N ASP A 77 3.978 7.212 -5.418 1.00 0.00 N ATOM 1240 CA ASP A 77 4.734 8.230 -4.705 1.00 0.00 C ATOM 1241 C ASP A 77 3.834 9.439 -4.495 1.00 0.00 C ATOM 1242 O ASP A 77 3.341 10.027 -5.461 1.00 0.00 O ATOM 1243 CB ASP A 77 5.994 8.621 -5.485 1.00 0.00 C ATOM 1244 CG ASP A 77 6.731 9.788 -4.862 1.00 0.00 C ATOM 1245 OD1 ASP A 77 6.356 10.942 -5.138 1.00 0.00 O ATOM 1246 OD2 ASP A 77 7.702 9.560 -4.111 1.00 0.00 O ATOM 0 H ASP A 77 3.094 7.549 -5.799 1.00 0.00 H new ATOM 0 HA ASP A 77 5.058 7.838 -3.741 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.663 7.762 -5.540 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.718 8.876 -6.508 1.00 0.00 H new ATOM 1251 N PRO A 78 3.591 9.812 -3.230 1.00 0.00 N ATOM 1252 CA PRO A 78 2.627 10.861 -2.875 1.00 0.00 C ATOM 1253 C PRO A 78 3.043 12.254 -3.342 1.00 0.00 C ATOM 1254 O PRO A 78 2.302 13.219 -3.160 1.00 0.00 O ATOM 1255 CB PRO A 78 2.578 10.815 -1.339 1.00 0.00 C ATOM 1256 CG PRO A 78 3.233 9.531 -0.955 1.00 0.00 C ATOM 1257 CD PRO A 78 4.227 9.234 -2.039 1.00 0.00 C ATOM 0 HA PRO A 78 1.667 10.681 -3.358 1.00 0.00 H new ATOM 0 HB2 PRO A 78 3.101 11.667 -0.904 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.550 10.854 -0.978 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.726 9.619 0.013 1.00 0.00 H new ATOM 0 HG3 PRO A 78 2.499 8.729 -0.868 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.196 9.691 -1.836 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.396 8.163 -2.150 1.00 0.00 H new ATOM 1265 N THR A 79 4.219 12.369 -3.940 1.00 0.00 N ATOM 1266 CA THR A 79 4.701 13.664 -4.386 1.00 0.00 C ATOM 1267 C THR A 79 4.752 13.756 -5.912 1.00 0.00 C ATOM 1268 O THR A 79 5.162 14.777 -6.463 1.00 0.00 O ATOM 1269 CB THR A 79 6.086 13.984 -3.786 1.00 0.00 C ATOM 1270 OG1 THR A 79 6.775 12.776 -3.439 1.00 0.00 O ATOM 1271 CG2 THR A 79 5.937 14.844 -2.545 1.00 0.00 C ATOM 0 H THR A 79 4.850 11.590 -4.126 1.00 0.00 H new ATOM 0 HA THR A 79 3.988 14.407 -4.027 1.00 0.00 H new ATOM 0 HB THR A 79 6.662 14.525 -4.537 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.863 12.210 -4.234 1.00 0.00 H new ATOM 0 HG21 THR A 79 6.922 15.062 -2.133 1.00 0.00 H new ATOM 0 HG22 THR A 79 5.439 15.778 -2.807 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.343 14.312 -1.803 1.00 0.00 H new ATOM 1279 N VAL A 80 4.347 12.689 -6.596 1.00 0.00 N ATOM 1280 CA VAL A 80 4.250 12.721 -8.053 1.00 0.00 C ATOM 1281 C VAL A 80 2.836 12.379 -8.512 1.00 0.00 C ATOM 1282 O VAL A 80 2.264 13.072 -9.351 1.00 0.00 O ATOM 1283 CB VAL A 80 5.260 11.774 -8.743 1.00 0.00 C ATOM 1284 CG1 VAL A 80 6.685 12.261 -8.540 1.00 0.00 C ATOM 1285 CG2 VAL A 80 5.116 10.343 -8.257 1.00 0.00 C ATOM 0 H VAL A 80 4.083 11.800 -6.171 1.00 0.00 H new ATOM 0 HA VAL A 80 4.497 13.740 -8.351 1.00 0.00 H new ATOM 0 HB VAL A 80 5.035 11.786 -9.809 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.377 11.579 -9.034 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.793 13.259 -8.966 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.909 12.296 -7.474 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.843 9.711 -8.766 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.291 10.304 -7.182 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.110 9.985 -8.473 1.00 0.00 H new ATOM 1295 N ASP A 81 2.270 11.324 -7.944 1.00 0.00 N ATOM 1296 CA ASP A 81 0.940 10.876 -8.325 1.00 0.00 C ATOM 1297 C ASP A 81 -0.100 11.452 -7.380 1.00 0.00 C ATOM 1298 O ASP A 81 0.214 11.826 -6.250 1.00 0.00 O ATOM 1299 CB ASP A 81 0.864 9.346 -8.314 1.00 0.00 C ATOM 1300 CG ASP A 81 -0.448 8.826 -8.872 1.00 0.00 C ATOM 1301 OD1 ASP A 81 -1.003 9.460 -9.795 1.00 0.00 O ATOM 1302 OD2 ASP A 81 -0.936 7.787 -8.382 1.00 0.00 O ATOM 0 H ASP A 81 2.712 10.762 -7.217 1.00 0.00 H new ATOM 0 HA ASP A 81 0.736 11.229 -9.336 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.690 8.940 -8.898 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.989 8.986 -7.293 1.00 0.00 H new ATOM 1307 N LYS A 82 -1.334 11.525 -7.847 1.00 0.00 N ATOM 1308 CA LYS A 82 -2.424 12.027 -7.034 1.00 0.00 C ATOM 1309 C LYS A 82 -2.839 10.973 -6.013 1.00 0.00 C ATOM 1310 O LYS A 82 -3.552 10.024 -6.349 1.00 0.00 O ATOM 1311 CB LYS A 82 -3.616 12.406 -7.917 1.00 0.00 C ATOM 1312 CG LYS A 82 -4.718 13.131 -7.162 1.00 0.00 C ATOM 1313 CD LYS A 82 -5.997 13.204 -7.978 1.00 0.00 C ATOM 1314 CE LYS A 82 -6.948 14.255 -7.428 1.00 0.00 C ATOM 1315 NZ LYS A 82 -8.335 13.737 -7.283 1.00 0.00 N ATOM 0 H LYS A 82 -1.605 11.242 -8.789 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.087 12.919 -6.506 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.268 13.039 -8.733 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.027 11.503 -8.367 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.914 12.617 -6.221 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -4.387 14.139 -6.912 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.756 13.437 -9.015 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -6.488 12.231 -7.976 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.587 14.598 -6.458 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.953 15.121 -8.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -8.948 14.487 -6.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -8.691 13.434 -8.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -8.337 12.927 -6.630 1.00 0.00 H new ATOM 1329 N GLN A 83 -2.333 11.126 -4.790 1.00 0.00 N ATOM 1330 CA GLN A 83 -2.695 10.272 -3.657 1.00 0.00 C ATOM 1331 C GLN A 83 -4.183 9.915 -3.675 1.00 0.00 C ATOM 1332 O GLN A 83 -5.042 10.786 -3.534 1.00 0.00 O ATOM 1333 CB GLN A 83 -2.340 10.979 -2.342 1.00 0.00 C ATOM 1334 CG GLN A 83 -2.849 10.264 -1.098 1.00 0.00 C ATOM 1335 CD GLN A 83 -2.170 8.930 -0.879 1.00 0.00 C ATOM 1336 OE1 GLN A 83 -0.956 8.858 -0.712 1.00 0.00 O ATOM 1337 NE2 GLN A 83 -2.955 7.867 -0.880 1.00 0.00 N ATOM 0 H GLN A 83 -1.655 11.851 -4.555 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.130 9.344 -3.739 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.256 11.077 -2.275 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.750 11.989 -2.362 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.687 10.898 -0.226 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -3.925 10.111 -1.185 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -3.959 7.975 -1.023 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.557 6.939 -0.738 1.00 0.00 H new ATOM 1346 N ILE A 84 -4.481 8.634 -3.865 1.00 0.00 N ATOM 1347 CA ILE A 84 -5.860 8.180 -3.909 1.00 0.00 C ATOM 1348 C ILE A 84 -6.388 7.925 -2.501 1.00 0.00 C ATOM 1349 O ILE A 84 -5.711 7.307 -1.676 1.00 0.00 O ATOM 1350 CB ILE A 84 -6.044 6.892 -4.748 1.00 0.00 C ATOM 1351 CG1 ILE A 84 -5.080 6.851 -5.933 1.00 0.00 C ATOM 1352 CG2 ILE A 84 -7.476 6.799 -5.250 1.00 0.00 C ATOM 1353 CD1 ILE A 84 -4.257 5.587 -6.011 1.00 0.00 C ATOM 0 H ILE A 84 -3.787 7.897 -3.990 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.424 8.980 -4.388 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.824 6.041 -4.103 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.650 6.959 -6.856 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.408 7.707 -5.871 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.597 5.890 -5.839 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.158 6.774 -4.400 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.701 7.666 -5.871 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.598 5.635 -6.878 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.658 5.486 -5.106 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.920 4.727 -6.105 1.00 0.00 H new ATOM 1365 N LYS A 85 -7.580 8.430 -2.222 1.00 0.00 N ATOM 1366 CA LYS A 85 -8.239 8.189 -0.948 1.00 0.00 C ATOM 1367 C LYS A 85 -9.729 7.947 -1.175 1.00 0.00 C ATOM 1368 O LYS A 85 -10.353 8.624 -1.999 1.00 0.00 O ATOM 1369 CB LYS A 85 -8.031 9.380 -0.007 1.00 0.00 C ATOM 1370 CG LYS A 85 -6.947 9.155 1.033 1.00 0.00 C ATOM 1371 CD LYS A 85 -7.084 10.119 2.200 1.00 0.00 C ATOM 1372 CE LYS A 85 -6.120 11.290 2.076 1.00 0.00 C ATOM 1373 NZ LYS A 85 -4.761 10.956 2.582 1.00 0.00 N ATOM 0 H LYS A 85 -8.114 9.013 -2.866 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.802 7.304 -0.485 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.777 10.259 -0.599 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.970 9.598 0.501 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.000 8.130 1.399 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.967 9.278 0.571 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.107 10.493 2.246 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.896 9.590 3.134 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.052 11.593 1.031 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.513 12.142 2.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.118 11.753 2.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.807 10.774 3.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.408 10.108 2.095 1.00 0.00 H new ATOM 1387 N ILE A 86 -10.291 6.973 -0.473 1.00 0.00 N ATOM 1388 CA ILE A 86 -11.718 6.685 -0.572 1.00 0.00 C ATOM 1389 C ILE A 86 -12.402 6.943 0.757 1.00 0.00 C ATOM 1390 O ILE A 86 -11.787 6.812 1.815 1.00 0.00 O ATOM 1391 CB ILE A 86 -12.017 5.229 -0.991 1.00 0.00 C ATOM 1392 CG1 ILE A 86 -10.765 4.525 -1.496 1.00 0.00 C ATOM 1393 CG2 ILE A 86 -13.100 5.201 -2.054 1.00 0.00 C ATOM 1394 CD1 ILE A 86 -10.257 3.448 -0.563 1.00 0.00 C ATOM 0 H ILE A 86 -9.782 6.368 0.172 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.102 7.348 -1.347 1.00 0.00 H new ATOM 0 HB ILE A 86 -12.368 4.693 -0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -10.975 4.081 -2.469 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -9.978 5.264 -1.646 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.302 4.169 -2.341 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -14.010 5.652 -1.658 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.767 5.762 -2.927 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.364 2.990 -0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.014 3.889 0.404 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -11.027 2.688 -0.432 1.00 0.00 H new ATOM 1406 N GLU A 87 -13.673 7.299 0.701 1.00 0.00 N ATOM 1407 CA GLU A 87 -14.430 7.577 1.907 1.00 0.00 C ATOM 1408 C GLU A 87 -15.225 6.356 2.343 1.00 0.00 C ATOM 1409 O GLU A 87 -16.288 6.058 1.796 1.00 0.00 O ATOM 1410 CB GLU A 87 -15.364 8.763 1.688 1.00 0.00 C ATOM 1411 CG GLU A 87 -14.651 10.095 1.736 1.00 0.00 C ATOM 1412 CD GLU A 87 -15.334 11.146 0.897 1.00 0.00 C ATOM 1413 OE1 GLU A 87 -15.742 10.834 -0.242 1.00 0.00 O ATOM 1414 OE2 GLU A 87 -15.461 12.296 1.371 1.00 0.00 O ATOM 0 H GLU A 87 -14.201 7.402 -0.165 1.00 0.00 H new ATOM 0 HA GLU A 87 -13.724 7.827 2.699 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.857 8.656 0.722 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -16.145 8.748 2.448 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.597 10.438 2.769 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.626 9.967 1.389 1.00 0.00 H new