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 48 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 28 TYR OH : rot 147:sc= 1.27 USER MOD Set 2.2: A 60 SER OG : rot -102:sc= 2.29 USER MOD Set 3.1: A 7 CYS SG : rot 178:sc= -3.39! USER MOD Set 3.2: A 12 CYS SG : rot 81:sc= 0.875 USER MOD Set 3.3: A 59 CYS SG : rot 62:sc= 1.29 USER MOD Set 3.4: A 62 HIS : no HE2:sc= -1.19! C(o=-2.4!,f=-5.1!) USER MOD Single : A 6 THR OG1 : rot 12:sc= 0.772 USER MOD Single : A 11 ASN : amide:sc= -0.494 K(o=-0.49,f=-4.5!) USER MOD Single : A 13 LYS NZ :NH3+ -162:sc= 1.1 (180deg=0.598) USER MOD Single : A 26 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.37) 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 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0927 USER MOD Single : A 55 GLN : amide:sc= 0.0773 X(o=0.077,f=-0.13) USER MOD Single : A 68 LYS NZ :NH3+ 151:sc= 0.541 (180deg=-1.18!) USER MOD Single : A 69 LYS NZ :NH3+ -179:sc= 1.2 (180deg=1.16) USER MOD Single : A 79 THR OG1 : rot 69:sc= 1.16 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -1.46 K(o=-1.5,f=-5.3!) USER MOD Single : A 85 LYS NZ :NH3+ -166:sc= 1.43 (180deg=1.4) USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 6 8.030 -8.323 2.081 1.00 0.00 N ATOM 67 CA THR A 6 8.516 -7.517 0.974 1.00 0.00 C ATOM 68 C THR A 6 7.367 -6.786 0.280 1.00 0.00 C ATOM 69 O THR A 6 6.230 -7.267 0.273 1.00 0.00 O ATOM 70 CB THR A 6 9.254 -8.400 -0.047 1.00 0.00 C ATOM 71 OG1 THR A 6 9.174 -9.779 0.356 1.00 0.00 O ATOM 72 CG2 THR A 6 10.714 -7.986 -0.171 1.00 0.00 C ATOM 0 HA THR A 6 9.206 -6.777 1.379 1.00 0.00 H new ATOM 0 HB THR A 6 8.777 -8.273 -1.019 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.516 -9.872 1.076 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.213 -8.626 -0.899 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.771 -6.948 -0.500 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.204 -8.087 0.797 1.00 0.00 H new ATOM 80 N CYS A 7 7.670 -5.619 -0.286 1.00 0.00 N ATOM 81 CA CYS A 7 6.686 -4.842 -1.025 1.00 0.00 C ATOM 82 C CYS A 7 6.361 -5.520 -2.347 1.00 0.00 C ATOM 83 O CYS A 7 7.218 -6.163 -2.962 1.00 0.00 O ATOM 84 CB CYS A 7 7.207 -3.421 -1.282 1.00 0.00 C ATOM 85 SG CYS A 7 5.929 -2.198 -1.760 1.00 0.00 S ATOM 0 H CYS A 7 8.595 -5.192 -0.244 1.00 0.00 H new ATOM 0 HA CYS A 7 5.778 -4.781 -0.426 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.708 -3.066 -0.381 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.959 -3.464 -2.070 1.00 0.00 H new ATOM 0 HG CYS A 7 6.479 -1.029 -1.903 1.00 0.00 H new ATOM 90 N GLY A 8 5.121 -5.377 -2.772 1.00 0.00 N ATOM 91 CA GLY A 8 4.704 -5.911 -4.048 1.00 0.00 C ATOM 92 C GLY A 8 4.505 -4.809 -5.063 1.00 0.00 C ATOM 93 O GLY A 8 4.016 -5.045 -6.168 1.00 0.00 O ATOM 0 H GLY A 8 4.388 -4.896 -2.251 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.452 -6.614 -4.413 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.775 -6.469 -3.926 1.00 0.00 H new ATOM 97 N PHE A 9 4.884 -3.595 -4.676 1.00 0.00 N ATOM 98 CA PHE A 9 4.721 -2.430 -5.530 1.00 0.00 C ATOM 99 C PHE A 9 5.665 -2.493 -6.725 1.00 0.00 C ATOM 100 O PHE A 9 6.838 -2.848 -6.585 1.00 0.00 O ATOM 101 CB PHE A 9 4.974 -1.154 -4.728 1.00 0.00 C ATOM 102 CG PHE A 9 3.890 -0.132 -4.872 1.00 0.00 C ATOM 103 CD1 PHE A 9 2.662 -0.312 -4.257 1.00 0.00 C ATOM 104 CD2 PHE A 9 4.097 1.005 -5.626 1.00 0.00 C ATOM 105 CE1 PHE A 9 1.662 0.631 -4.391 1.00 0.00 C ATOM 106 CE2 PHE A 9 3.105 1.950 -5.764 1.00 0.00 C ATOM 107 CZ PHE A 9 1.885 1.766 -5.149 1.00 0.00 C ATOM 0 H PHE A 9 5.308 -3.395 -3.770 1.00 0.00 H new ATOM 0 HA PHE A 9 3.697 -2.421 -5.905 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.081 -1.412 -3.674 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.920 -0.716 -5.047 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.485 -1.199 -3.667 1.00 0.00 H new ATOM 0 HD2 PHE A 9 5.049 1.156 -6.114 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.709 0.483 -3.905 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.283 2.836 -6.355 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.106 2.506 -5.259 1.00 0.00 H new ATOM 117 N PRO A 10 5.161 -2.150 -7.919 1.00 0.00 N ATOM 118 CA PRO A 10 5.966 -2.145 -9.143 1.00 0.00 C ATOM 119 C PRO A 10 7.011 -1.038 -9.142 1.00 0.00 C ATOM 120 O PRO A 10 8.040 -1.132 -9.814 1.00 0.00 O ATOM 121 CB PRO A 10 4.934 -1.906 -10.251 1.00 0.00 C ATOM 122 CG PRO A 10 3.801 -1.215 -9.576 1.00 0.00 C ATOM 123 CD PRO A 10 3.762 -1.760 -8.176 1.00 0.00 C ATOM 0 HA PRO A 10 6.530 -3.070 -9.262 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.349 -1.294 -11.052 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.612 -2.845 -10.701 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.949 -0.135 -9.571 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.862 -1.405 -10.096 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.417 -1.011 -7.463 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.087 -2.612 -8.096 1.00 0.00 H new ATOM 131 N ASN A 11 6.744 -0.001 -8.373 1.00 0.00 N ATOM 132 CA ASN A 11 7.613 1.165 -8.332 1.00 0.00 C ATOM 133 C ASN A 11 7.769 1.693 -6.909 1.00 0.00 C ATOM 134 O ASN A 11 7.547 2.877 -6.643 1.00 0.00 O ATOM 135 CB ASN A 11 7.098 2.280 -9.263 1.00 0.00 C ATOM 136 CG ASN A 11 5.584 2.450 -9.251 1.00 0.00 C ATOM 137 OD1 ASN A 11 4.891 1.972 -8.356 1.00 0.00 O ATOM 138 ND2 ASN A 11 5.061 3.138 -10.253 1.00 0.00 N ATOM 0 H ASN A 11 5.928 0.061 -7.764 1.00 0.00 H new ATOM 0 HA ASN A 11 8.594 0.848 -8.687 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.561 3.223 -8.973 1.00 0.00 H new ATOM 0 HB3 ASN A 11 7.421 2.066 -10.282 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.053 3.285 -10.299 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.666 3.521 -10.979 1.00 0.00 H new ATOM 145 N CYS A 12 8.153 0.810 -5.991 1.00 0.00 N ATOM 146 CA CYS A 12 8.510 1.227 -4.644 1.00 0.00 C ATOM 147 C CYS A 12 9.883 1.901 -4.685 1.00 0.00 C ATOM 148 O CYS A 12 10.921 1.257 -4.531 1.00 0.00 O ATOM 149 CB CYS A 12 8.507 0.025 -3.684 1.00 0.00 C ATOM 150 SG CYS A 12 8.598 0.461 -1.911 1.00 0.00 S ATOM 0 H CYS A 12 8.224 -0.194 -6.157 1.00 0.00 H new ATOM 0 HA CYS A 12 7.773 1.938 -4.271 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.601 -0.556 -3.855 1.00 0.00 H new ATOM 0 HB3 CYS A 12 9.351 -0.620 -3.929 1.00 0.00 H new ATOM 0 HG CYS A 12 7.416 0.795 -1.485 1.00 0.00 H new ATOM 155 N LYS A 13 9.875 3.204 -4.935 1.00 0.00 N ATOM 156 CA LYS A 13 11.108 3.966 -5.107 1.00 0.00 C ATOM 157 C LYS A 13 11.720 4.361 -3.766 1.00 0.00 C ATOM 158 O LYS A 13 12.776 4.998 -3.714 1.00 0.00 O ATOM 159 CB LYS A 13 10.839 5.213 -5.953 1.00 0.00 C ATOM 160 CG LYS A 13 10.095 6.315 -5.211 1.00 0.00 C ATOM 161 CD LYS A 13 8.762 6.632 -5.868 1.00 0.00 C ATOM 162 CE LYS A 13 8.929 7.591 -7.037 1.00 0.00 C ATOM 163 NZ LYS A 13 9.459 8.912 -6.608 1.00 0.00 N ATOM 0 H LYS A 13 9.024 3.759 -5.024 1.00 0.00 H new ATOM 0 HA LYS A 13 11.826 3.327 -5.621 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.789 5.608 -6.312 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.261 4.926 -6.831 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.928 6.010 -4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.710 7.214 -5.183 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.299 5.709 -6.217 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.087 7.069 -5.132 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.604 7.152 -7.772 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.967 7.730 -7.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.275 9.617 -7.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.990 9.205 -5.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.484 8.839 -6.447 1.00 0.00 H new ATOM 177 N PHE A 14 11.062 3.970 -2.687 1.00 0.00 N ATOM 178 CA PHE A 14 11.535 4.292 -1.351 1.00 0.00 C ATOM 179 C PHE A 14 12.727 3.414 -0.991 1.00 0.00 C ATOM 180 O PHE A 14 13.640 3.846 -0.286 1.00 0.00 O ATOM 181 CB PHE A 14 10.407 4.113 -0.332 1.00 0.00 C ATOM 182 CG PHE A 14 9.298 5.115 -0.489 1.00 0.00 C ATOM 183 CD1 PHE A 14 8.223 4.859 -1.328 1.00 0.00 C ATOM 184 CD2 PHE A 14 9.333 6.317 0.200 1.00 0.00 C ATOM 185 CE1 PHE A 14 7.206 5.784 -1.477 1.00 0.00 C ATOM 186 CE2 PHE A 14 8.319 7.246 0.056 1.00 0.00 C ATOM 187 CZ PHE A 14 7.255 6.979 -0.785 1.00 0.00 C ATOM 0 H PHE A 14 10.198 3.429 -2.710 1.00 0.00 H new ATOM 0 HA PHE A 14 11.854 5.334 -1.331 1.00 0.00 H new ATOM 0 HB2 PHE A 14 9.996 3.108 -0.429 1.00 0.00 H new ATOM 0 HB3 PHE A 14 10.820 4.193 0.674 1.00 0.00 H new ATOM 0 HD1 PHE A 14 8.180 3.926 -1.871 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.163 6.531 0.858 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.375 5.573 -2.133 1.00 0.00 H new ATOM 0 HE2 PHE A 14 8.358 8.178 0.600 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.463 7.704 -0.901 1.00 0.00 H new ATOM 197 N ARG A 15 12.731 2.198 -1.522 1.00 0.00 N ATOM 198 CA ARG A 15 13.806 1.248 -1.253 1.00 0.00 C ATOM 199 C ARG A 15 15.084 1.695 -1.947 1.00 0.00 C ATOM 200 O ARG A 15 16.187 1.429 -1.474 1.00 0.00 O ATOM 201 CB ARG A 15 13.433 -0.168 -1.719 1.00 0.00 C ATOM 202 CG ARG A 15 11.942 -0.388 -1.922 1.00 0.00 C ATOM 203 CD ARG A 15 11.473 -1.675 -1.272 1.00 0.00 C ATOM 204 NE ARG A 15 10.469 -1.418 -0.246 1.00 0.00 N ATOM 205 CZ ARG A 15 10.693 -1.541 1.057 1.00 0.00 C ATOM 206 NH1 ARG A 15 11.892 -1.916 1.486 1.00 0.00 N ATOM 207 NH2 ARG A 15 9.726 -1.279 1.927 1.00 0.00 N ATOM 0 H ARG A 15 12.002 1.845 -2.142 1.00 0.00 H new ATOM 0 HA ARG A 15 13.965 1.222 -0.175 1.00 0.00 H new ATOM 0 HB2 ARG A 15 13.950 -0.378 -2.655 1.00 0.00 H new ATOM 0 HB3 ARG A 15 13.798 -0.887 -0.986 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.389 0.453 -1.504 1.00 0.00 H new ATOM 0 HG3 ARG A 15 11.720 -0.417 -2.989 1.00 0.00 H new ATOM 0 HD2 ARG A 15 11.058 -2.338 -2.031 1.00 0.00 H new ATOM 0 HD3 ARG A 15 12.324 -2.192 -0.829 1.00 0.00 H new ATOM 0 HE ARG A 15 9.539 -1.126 -0.547 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.636 -2.108 0.816 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.069 -2.012 2.486 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.808 -0.982 1.595 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.900 -1.374 2.927 1.00 0.00 H new ATOM 368 N ARG A 25 10.195 0.355 7.563 1.00 0.00 N ATOM 369 CA ARG A 25 8.812 0.625 7.201 1.00 0.00 C ATOM 370 C ARG A 25 7.874 -0.408 7.796 1.00 0.00 C ATOM 371 O ARG A 25 8.270 -1.542 8.065 1.00 0.00 O ATOM 372 CB ARG A 25 8.650 0.643 5.679 1.00 0.00 C ATOM 373 CG ARG A 25 8.088 1.947 5.139 1.00 0.00 C ATOM 374 CD ARG A 25 9.087 2.650 4.240 1.00 0.00 C ATOM 375 NE ARG A 25 9.372 4.006 4.702 1.00 0.00 N ATOM 376 CZ ARG A 25 10.468 4.688 4.378 1.00 0.00 C ATOM 377 NH1 ARG A 25 11.367 4.165 3.549 1.00 0.00 N ATOM 378 NH2 ARG A 25 10.653 5.907 4.866 1.00 0.00 N ATOM 0 HA ARG A 25 8.553 1.603 7.605 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.620 0.457 5.217 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.994 -0.175 5.383 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.173 1.747 4.582 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.820 2.601 5.969 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.013 2.075 4.206 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.697 2.687 3.223 1.00 0.00 H new ATOM 0 HE ARG A 25 8.689 4.458 5.310 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.219 3.235 3.157 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.204 4.694 3.305 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.957 6.319 5.487 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.492 6.433 4.620 1.00 0.00 H new ATOM 392 N HIS A 26 6.638 0.003 8.018 1.00 0.00 N ATOM 393 CA HIS A 26 5.595 -0.913 8.437 1.00 0.00 C ATOM 394 C HIS A 26 4.871 -1.436 7.206 1.00 0.00 C ATOM 395 O HIS A 26 4.612 -0.681 6.267 1.00 0.00 O ATOM 396 CB HIS A 26 4.610 -0.223 9.383 1.00 0.00 C ATOM 397 CG HIS A 26 4.613 -0.804 10.766 1.00 0.00 C ATOM 398 ND1 HIS A 26 4.623 -2.164 10.973 1.00 0.00 N ATOM 399 CD2 HIS A 26 4.610 -0.174 11.968 1.00 0.00 C ATOM 400 CE1 HIS A 26 4.627 -2.330 12.284 1.00 0.00 C ATOM 401 NE2 HIS A 26 4.619 -1.156 12.926 1.00 0.00 N ATOM 0 H HIS A 26 6.332 0.971 7.914 1.00 0.00 H new ATOM 0 HA HIS A 26 6.046 -1.745 8.978 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.854 0.838 9.441 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.605 -0.296 8.967 1.00 0.00 H new ATOM 0 HD2 HIS A 26 4.602 0.893 12.137 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.636 -3.292 12.775 1.00 0.00 H new ATOM 0 HE2 HIS A 26 4.619 -1.017 13.937 1.00 0.00 H new ATOM 409 N PHE A 27 4.563 -2.720 7.205 1.00 0.00 N ATOM 410 CA PHE A 27 3.961 -3.353 6.042 1.00 0.00 C ATOM 411 C PHE A 27 2.517 -3.739 6.318 1.00 0.00 C ATOM 412 O PHE A 27 2.210 -4.359 7.339 1.00 0.00 O ATOM 413 CB PHE A 27 4.760 -4.590 5.630 1.00 0.00 C ATOM 414 CG PHE A 27 6.045 -4.273 4.924 1.00 0.00 C ATOM 415 CD1 PHE A 27 7.207 -4.055 5.647 1.00 0.00 C ATOM 416 CD2 PHE A 27 6.094 -4.198 3.542 1.00 0.00 C ATOM 417 CE1 PHE A 27 8.395 -3.771 5.005 1.00 0.00 C ATOM 418 CE2 PHE A 27 7.279 -3.913 2.893 1.00 0.00 C ATOM 419 CZ PHE A 27 8.432 -3.700 3.625 1.00 0.00 C ATOM 0 H PHE A 27 4.719 -3.346 7.995 1.00 0.00 H new ATOM 0 HA PHE A 27 3.977 -2.632 5.225 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.981 -5.181 6.519 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.143 -5.210 4.980 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.182 -4.108 6.725 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.196 -4.364 2.966 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.294 -3.605 5.580 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.305 -3.857 1.815 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.360 -3.478 3.120 1.00 0.00 H new ATOM 429 N TYR A 28 1.635 -3.363 5.413 1.00 0.00 N ATOM 430 CA TYR A 28 0.228 -3.724 5.520 1.00 0.00 C ATOM 431 C TYR A 28 -0.065 -4.964 4.689 1.00 0.00 C ATOM 432 O TYR A 28 0.633 -5.246 3.715 1.00 0.00 O ATOM 433 CB TYR A 28 -0.657 -2.568 5.055 1.00 0.00 C ATOM 434 CG TYR A 28 -0.529 -1.332 5.910 1.00 0.00 C ATOM 435 CD1 TYR A 28 -0.674 -1.396 7.290 1.00 0.00 C ATOM 436 CD2 TYR A 28 -0.262 -0.099 5.334 1.00 0.00 C ATOM 437 CE1 TYR A 28 -0.560 -0.262 8.072 1.00 0.00 C ATOM 438 CE2 TYR A 28 -0.146 1.036 6.107 1.00 0.00 C ATOM 439 CZ TYR A 28 -0.294 0.951 7.473 1.00 0.00 C ATOM 440 OH TYR A 28 -0.176 2.085 8.240 1.00 0.00 O ATOM 0 H TYR A 28 1.865 -2.805 4.591 1.00 0.00 H new ATOM 0 HA TYR A 28 0.008 -3.938 6.566 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.402 -2.316 4.026 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.697 -2.894 5.055 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.879 -2.347 7.759 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.143 -0.027 4.263 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.678 -0.326 9.144 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.060 1.989 5.643 1.00 0.00 H new ATOM 0 HH TYR A 28 0.480 2.688 7.833 1.00 0.00 H new ATOM 450 N ARG A 29 -1.103 -5.698 5.072 1.00 0.00 N ATOM 451 CA ARG A 29 -1.482 -6.921 4.363 1.00 0.00 C ATOM 452 C ARG A 29 -2.725 -6.683 3.513 1.00 0.00 C ATOM 453 O ARG A 29 -3.529 -7.591 3.308 1.00 0.00 O ATOM 454 CB ARG A 29 -1.742 -8.072 5.345 1.00 0.00 C ATOM 455 CG ARG A 29 -1.337 -7.779 6.784 1.00 0.00 C ATOM 456 CD ARG A 29 0.123 -8.113 7.034 1.00 0.00 C ATOM 457 NE ARG A 29 0.667 -7.356 8.160 1.00 0.00 N ATOM 458 CZ ARG A 29 1.456 -7.873 9.102 1.00 0.00 C ATOM 459 NH1 ARG A 29 1.791 -9.156 9.065 1.00 0.00 N ATOM 460 NH2 ARG A 29 1.901 -7.098 10.080 1.00 0.00 N ATOM 0 H ARG A 29 -1.699 -5.471 5.868 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.651 -7.198 3.714 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.803 -8.319 5.323 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.202 -8.955 5.002 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.513 -6.726 7.005 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.964 -8.356 7.464 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.223 -9.180 7.231 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.704 -7.898 6.137 1.00 0.00 H new ATOM 0 HE ARG A 29 0.427 -6.367 8.230 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.445 -9.752 8.313 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.395 -9.546 9.788 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.640 -6.113 10.109 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.505 -7.487 10.804 1.00 0.00 H new ATOM 474 N ILE A 30 -2.857 -5.451 3.025 1.00 0.00 N ATOM 475 CA ILE A 30 -3.985 -5.038 2.193 1.00 0.00 C ATOM 476 C ILE A 30 -5.312 -5.079 2.962 1.00 0.00 C ATOM 477 O ILE A 30 -5.860 -6.149 3.235 1.00 0.00 O ATOM 478 CB ILE A 30 -4.086 -5.889 0.912 1.00 0.00 C ATOM 479 CG1 ILE A 30 -2.793 -5.785 0.108 1.00 0.00 C ATOM 480 CG2 ILE A 30 -5.266 -5.445 0.063 1.00 0.00 C ATOM 481 CD1 ILE A 30 -2.157 -7.123 -0.180 1.00 0.00 C ATOM 0 H ILE A 30 -2.180 -4.707 3.197 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.795 -4.004 1.906 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.241 -6.928 1.202 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.000 -5.279 -0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.083 -5.164 0.654 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.319 -6.059 -0.836 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.188 -5.558 0.634 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.139 -4.400 -0.218 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.243 -6.975 -0.754 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.919 -7.622 0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.850 -7.739 -0.753 1.00 0.00 H new ATOM 493 N PRO A 31 -5.816 -3.891 3.343 1.00 0.00 N ATOM 494 CA PRO A 31 -7.111 -3.728 4.007 1.00 0.00 C ATOM 495 C PRO A 31 -8.214 -4.567 3.371 1.00 0.00 C ATOM 496 O PRO A 31 -8.476 -4.450 2.177 1.00 0.00 O ATOM 497 CB PRO A 31 -7.443 -2.246 3.809 1.00 0.00 C ATOM 498 CG PRO A 31 -6.191 -1.564 3.376 1.00 0.00 C ATOM 499 CD PRO A 31 -5.127 -2.611 3.176 1.00 0.00 C ATOM 0 HA PRO A 31 -7.053 -4.047 5.048 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.225 -2.125 3.060 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.818 -1.809 4.735 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.359 -1.012 2.451 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.874 -0.839 4.126 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.677 -2.532 2.186 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.322 -2.499 3.902 1.00 0.00 H new ATOM 507 N LYS A 32 -8.869 -5.399 4.169 1.00 0.00 N ATOM 508 CA LYS A 32 -9.960 -6.225 3.666 1.00 0.00 C ATOM 509 C LYS A 32 -11.306 -5.634 4.062 1.00 0.00 C ATOM 510 O LYS A 32 -12.350 -6.268 3.906 1.00 0.00 O ATOM 511 CB LYS A 32 -9.840 -7.665 4.176 1.00 0.00 C ATOM 512 CG LYS A 32 -9.650 -7.776 5.679 1.00 0.00 C ATOM 513 CD LYS A 32 -10.252 -9.064 6.219 1.00 0.00 C ATOM 514 CE LYS A 32 -9.382 -10.268 5.888 1.00 0.00 C ATOM 515 NZ LYS A 32 -10.187 -11.503 5.693 1.00 0.00 N ATOM 0 H LYS A 32 -8.666 -5.520 5.161 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.893 -6.242 2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.737 -8.216 3.892 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.999 -8.147 3.678 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.587 -7.741 5.917 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.114 -6.921 6.170 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.371 -8.986 7.300 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.247 -9.206 5.798 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.809 -10.063 4.984 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.663 -10.427 6.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.555 -12.298 5.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.715 -11.715 6.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.855 -11.361 4.909 1.00 0.00 H new ATOM 529 N ARG A 33 -11.271 -4.414 4.562 1.00 0.00 N ATOM 530 CA ARG A 33 -12.479 -3.723 4.989 1.00 0.00 C ATOM 531 C ARG A 33 -12.302 -2.215 4.849 1.00 0.00 C ATOM 532 O ARG A 33 -11.433 -1.626 5.495 1.00 0.00 O ATOM 533 CB ARG A 33 -12.821 -4.087 6.437 1.00 0.00 C ATOM 534 CG ARG A 33 -14.012 -3.325 6.996 1.00 0.00 C ATOM 535 CD ARG A 33 -13.793 -2.940 8.450 1.00 0.00 C ATOM 536 NE ARG A 33 -12.488 -2.319 8.665 1.00 0.00 N ATOM 537 CZ ARG A 33 -12.316 -1.047 9.022 1.00 0.00 C ATOM 538 NH1 ARG A 33 -13.366 -0.248 9.175 1.00 0.00 N ATOM 539 NH2 ARG A 33 -11.092 -0.573 9.219 1.00 0.00 N ATOM 0 H ARG A 33 -10.414 -3.875 4.684 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.304 -4.039 4.350 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -13.026 -5.156 6.494 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.951 -3.895 7.065 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.182 -2.427 6.402 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.910 -3.938 6.912 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.577 -2.251 8.764 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.879 -3.828 9.076 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.657 -2.895 8.534 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.308 -0.608 9.019 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.231 0.725 9.448 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.283 -1.183 9.097 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.960 0.401 9.492 1.00 0.00 H new ATOM 553 N PRO A 34 -13.106 -1.573 3.987 1.00 0.00 N ATOM 554 CA PRO A 34 -14.098 -2.260 3.150 1.00 0.00 C ATOM 555 C PRO A 34 -13.447 -3.049 2.011 1.00 0.00 C ATOM 556 O PRO A 34 -12.395 -2.669 1.500 1.00 0.00 O ATOM 557 CB PRO A 34 -14.953 -1.117 2.600 1.00 0.00 C ATOM 558 CG PRO A 34 -14.061 0.075 2.616 1.00 0.00 C ATOM 559 CD PRO A 34 -13.115 -0.116 3.774 1.00 0.00 C ATOM 0 HA PRO A 34 -14.670 -2.998 3.713 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -15.301 -1.335 1.591 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -15.838 -0.955 3.215 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -13.513 0.163 1.678 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -14.639 0.991 2.734 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -12.119 0.260 3.542 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.458 0.416 4.662 1.00 0.00 H new ATOM 567 N LEU A 35 -14.081 -4.146 1.611 1.00 0.00 N ATOM 568 CA LEU A 35 -13.517 -5.032 0.593 1.00 0.00 C ATOM 569 C LEU A 35 -13.439 -4.345 -0.767 1.00 0.00 C ATOM 570 O LEU A 35 -12.569 -4.653 -1.579 1.00 0.00 O ATOM 571 CB LEU A 35 -14.344 -6.313 0.482 1.00 0.00 C ATOM 572 CG LEU A 35 -13.533 -7.609 0.483 1.00 0.00 C ATOM 573 CD1 LEU A 35 -14.178 -8.642 1.391 1.00 0.00 C ATOM 574 CD2 LEU A 35 -13.403 -8.153 -0.929 1.00 0.00 C ATOM 0 H LEU A 35 -14.986 -4.445 1.975 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.503 -5.285 0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -15.051 -6.344 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -14.931 -6.270 -0.436 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.536 -7.390 0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.586 -9.557 1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.224 -8.254 2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -15.187 -8.857 1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.823 -9.076 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -14.395 -8.355 -1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.898 -7.419 -1.557 1.00 0.00 H new ATOM 586 N ILE A 36 -14.343 -3.406 -1.010 1.00 0.00 N ATOM 587 CA ILE A 36 -14.335 -2.657 -2.259 1.00 0.00 C ATOM 588 C ILE A 36 -13.107 -1.750 -2.328 1.00 0.00 C ATOM 589 O ILE A 36 -12.536 -1.538 -3.397 1.00 0.00 O ATOM 590 CB ILE A 36 -15.630 -1.833 -2.430 1.00 0.00 C ATOM 591 CG1 ILE A 36 -16.832 -2.773 -2.557 1.00 0.00 C ATOM 592 CG2 ILE A 36 -15.545 -0.915 -3.645 1.00 0.00 C ATOM 593 CD1 ILE A 36 -16.692 -3.805 -3.659 1.00 0.00 C ATOM 0 H ILE A 36 -15.087 -3.146 -0.363 1.00 0.00 H new ATOM 0 HA ILE A 36 -14.288 -3.373 -3.079 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.755 -1.206 -1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.980 -3.288 -1.608 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.727 -2.179 -2.741 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -16.471 -0.348 -3.738 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.709 -0.226 -3.523 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -15.394 -1.513 -4.543 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -17.583 -4.432 -3.685 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.575 -3.300 -4.618 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.817 -4.426 -3.467 1.00 0.00 H new ATOM 605 N LEU A 37 -12.681 -1.244 -1.174 1.00 0.00 N ATOM 606 CA LEU A 37 -11.456 -0.460 -1.100 1.00 0.00 C ATOM 607 C LEU A 37 -10.263 -1.349 -1.434 1.00 0.00 C ATOM 608 O LEU A 37 -9.328 -0.922 -2.103 1.00 0.00 O ATOM 609 CB LEU A 37 -11.285 0.161 0.291 1.00 0.00 C ATOM 610 CG LEU A 37 -9.869 0.083 0.867 1.00 0.00 C ATOM 611 CD1 LEU A 37 -9.337 1.468 1.191 1.00 0.00 C ATOM 612 CD2 LEU A 37 -9.854 -0.801 2.099 1.00 0.00 C ATOM 0 H LEU A 37 -13.164 -1.363 -0.283 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.516 0.353 -1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.584 1.208 0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.969 -0.335 0.980 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.215 -0.357 0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.330 1.385 1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.312 2.070 0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.987 1.945 1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.842 -0.849 2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.524 -0.386 2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.186 -1.804 1.831 1.00 0.00 H new ATOM 624 N ARG A 38 -10.323 -2.595 -0.970 1.00 0.00 N ATOM 625 CA ARG A 38 -9.295 -3.586 -1.267 1.00 0.00 C ATOM 626 C ARG A 38 -9.198 -3.804 -2.771 1.00 0.00 C ATOM 627 O ARG A 38 -8.109 -3.889 -3.333 1.00 0.00 O ATOM 628 CB ARG A 38 -9.629 -4.910 -0.588 1.00 0.00 C ATOM 629 CG ARG A 38 -8.548 -5.968 -0.752 1.00 0.00 C ATOM 630 CD ARG A 38 -8.842 -7.205 0.076 1.00 0.00 C ATOM 631 NE ARG A 38 -9.522 -8.246 -0.695 1.00 0.00 N ATOM 632 CZ ARG A 38 -9.587 -9.523 -0.323 1.00 0.00 C ATOM 633 NH1 ARG A 38 -8.969 -9.938 0.779 1.00 0.00 N ATOM 634 NH2 ARG A 38 -10.260 -10.388 -1.068 1.00 0.00 N ATOM 0 H ARG A 38 -11.080 -2.943 -0.382 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.340 -3.218 -0.891 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.794 -4.732 0.475 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.565 -5.292 -0.996 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.466 -6.245 -1.803 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.585 -5.553 -0.456 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.908 -7.603 0.473 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.460 -6.928 0.930 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.973 -7.978 -1.570 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.440 -9.276 1.347 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.024 -10.918 1.056 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.724 -10.074 -1.920 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.314 -11.368 -0.789 1.00 0.00 H new ATOM 648 N GLN A 39 -10.358 -3.899 -3.406 1.00 0.00 N ATOM 649 CA GLN A 39 -10.438 -4.051 -4.858 1.00 0.00 C ATOM 650 C GLN A 39 -9.795 -2.860 -5.571 1.00 0.00 C ATOM 651 O GLN A 39 -9.259 -2.995 -6.668 1.00 0.00 O ATOM 652 CB GLN A 39 -11.895 -4.204 -5.301 1.00 0.00 C ATOM 653 CG GLN A 39 -12.116 -5.344 -6.280 1.00 0.00 C ATOM 654 CD GLN A 39 -13.217 -5.048 -7.276 1.00 0.00 C ATOM 655 OE1 GLN A 39 -12.995 -4.377 -8.285 1.00 0.00 O ATOM 656 NE2 GLN A 39 -14.406 -5.552 -7.002 1.00 0.00 N ATOM 0 H GLN A 39 -11.264 -3.874 -2.938 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.889 -4.952 -5.132 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.518 -4.365 -4.422 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.226 -3.273 -5.760 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.188 -5.542 -6.817 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.364 -6.250 -5.727 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.544 -6.102 -6.154 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.187 -5.391 -7.638 1.00 0.00 H new ATOM 665 N ARG A 40 -9.849 -1.695 -4.937 1.00 0.00 N ATOM 666 CA ARG A 40 -9.224 -0.495 -5.483 1.00 0.00 C ATOM 667 C ARG A 40 -7.753 -0.420 -5.072 1.00 0.00 C ATOM 668 O ARG A 40 -6.960 0.285 -5.688 1.00 0.00 O ATOM 669 CB ARG A 40 -9.973 0.758 -5.017 1.00 0.00 C ATOM 670 CG ARG A 40 -11.461 0.716 -5.315 1.00 0.00 C ATOM 671 CD ARG A 40 -12.014 2.091 -5.649 1.00 0.00 C ATOM 672 NE ARG A 40 -13.373 2.269 -5.143 1.00 0.00 N ATOM 673 CZ ARG A 40 -14.459 2.323 -5.915 1.00 0.00 C ATOM 674 NH1 ARG A 40 -14.349 2.242 -7.236 1.00 0.00 N ATOM 675 NH2 ARG A 40 -15.654 2.474 -5.363 1.00 0.00 N ATOM 0 H ARG A 40 -10.320 -1.555 -4.043 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.275 -0.546 -6.571 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.828 0.881 -3.944 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.538 1.633 -5.500 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.645 0.039 -6.149 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.992 0.311 -4.453 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.365 2.856 -5.224 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.008 2.232 -6.730 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.499 2.358 -4.135 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.430 2.138 -7.666 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -15.184 2.284 -7.821 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -15.742 2.549 -4.350 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -16.486 2.516 -5.952 1.00 0.00 H new ATOM 689 N TRP A 41 -7.401 -1.171 -4.035 1.00 0.00 N ATOM 690 CA TRP A 41 -6.032 -1.218 -3.530 1.00 0.00 C ATOM 691 C TRP A 41 -5.100 -1.835 -4.567 1.00 0.00 C ATOM 692 O TRP A 41 -3.917 -1.502 -4.633 1.00 0.00 O ATOM 693 CB TRP A 41 -5.988 -2.018 -2.220 1.00 0.00 C ATOM 694 CG TRP A 41 -5.615 -1.186 -1.041 1.00 0.00 C ATOM 695 CD1 TRP A 41 -6.323 -0.145 -0.523 1.00 0.00 C ATOM 696 CD2 TRP A 41 -4.441 -1.315 -0.230 1.00 0.00 C ATOM 697 NE1 TRP A 41 -5.658 0.392 0.548 1.00 0.00 N ATOM 698 CE2 TRP A 41 -4.501 -0.309 0.748 1.00 0.00 C ATOM 699 CE3 TRP A 41 -3.344 -2.180 -0.240 1.00 0.00 C ATOM 700 CZ2 TRP A 41 -3.508 -0.142 1.707 1.00 0.00 C ATOM 701 CZ3 TRP A 41 -2.357 -2.014 0.713 1.00 0.00 C ATOM 702 CH2 TRP A 41 -2.445 -1.002 1.674 1.00 0.00 C ATOM 0 H TRP A 41 -8.053 -1.763 -3.521 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.693 -0.201 -3.333 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.964 -2.470 -2.044 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.272 -2.834 -2.323 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.271 0.207 -0.901 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -5.974 1.185 1.105 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -3.269 -2.964 -0.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -3.574 0.638 2.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.504 -2.676 0.716 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.657 -0.897 2.405 1.00 0.00 H new ATOM 713 N LEU A 42 -5.650 -2.717 -5.394 1.00 0.00 N ATOM 714 CA LEU A 42 -4.875 -3.370 -6.442 1.00 0.00 C ATOM 715 C LEU A 42 -4.539 -2.396 -7.569 1.00 0.00 C ATOM 716 O LEU A 42 -3.623 -2.643 -8.356 1.00 0.00 O ATOM 717 CB LEU A 42 -5.625 -4.576 -7.022 1.00 0.00 C ATOM 718 CG LEU A 42 -6.796 -5.104 -6.189 1.00 0.00 C ATOM 719 CD1 LEU A 42 -7.759 -5.890 -7.065 1.00 0.00 C ATOM 720 CD2 LEU A 42 -6.290 -5.972 -5.047 1.00 0.00 C ATOM 0 H LEU A 42 -6.630 -2.996 -5.359 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.949 -3.717 -5.983 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.000 -4.305 -8.009 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.912 -5.388 -7.165 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.328 -4.252 -5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.586 -6.258 -6.457 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.147 -5.242 -7.851 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.236 -6.734 -7.515 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.136 -6.338 -4.466 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.734 -6.818 -5.452 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.636 -5.383 -4.404 1.00 0.00 H new ATOM 732 N THR A 43 -5.276 -1.288 -7.633 1.00 0.00 N ATOM 733 CA THR A 43 -5.115 -0.307 -8.703 1.00 0.00 C ATOM 734 C THR A 43 -3.684 0.244 -8.754 1.00 0.00 C ATOM 735 O THR A 43 -3.125 0.434 -9.833 1.00 0.00 O ATOM 736 CB THR A 43 -6.150 0.850 -8.552 1.00 0.00 C ATOM 737 OG1 THR A 43 -6.941 0.949 -9.744 1.00 0.00 O ATOM 738 CG2 THR A 43 -5.496 2.202 -8.260 1.00 0.00 C ATOM 0 H THR A 43 -5.995 -1.047 -6.951 1.00 0.00 H new ATOM 0 HA THR A 43 -5.304 -0.816 -9.648 1.00 0.00 H new ATOM 0 HB THR A 43 -6.777 0.605 -7.695 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.591 1.675 -9.646 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.267 2.966 -8.166 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.931 2.140 -7.330 1.00 0.00 H new ATOM 0 HG23 THR A 43 -4.823 2.464 -9.076 1.00 0.00 H new ATOM 746 N ALA A 44 -3.083 0.454 -7.590 1.00 0.00 N ATOM 747 CA ALA A 44 -1.766 1.070 -7.517 1.00 0.00 C ATOM 748 C ALA A 44 -0.668 0.078 -7.873 1.00 0.00 C ATOM 749 O ALA A 44 0.355 0.438 -8.455 1.00 0.00 O ATOM 750 CB ALA A 44 -1.539 1.631 -6.127 1.00 0.00 C ATOM 0 H ALA A 44 -3.486 0.207 -6.686 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.727 1.881 -8.245 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.552 2.091 -6.077 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.300 2.380 -5.908 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.601 0.826 -5.395 1.00 0.00 H new ATOM 756 N ILE A 45 -0.903 -1.176 -7.533 1.00 0.00 N ATOM 757 CA ILE A 45 0.085 -2.223 -7.740 1.00 0.00 C ATOM 758 C ILE A 45 -0.059 -2.847 -9.120 1.00 0.00 C ATOM 759 O ILE A 45 0.830 -3.559 -9.589 1.00 0.00 O ATOM 760 CB ILE A 45 -0.032 -3.324 -6.663 1.00 0.00 C ATOM 761 CG1 ILE A 45 -1.259 -3.072 -5.774 1.00 0.00 C ATOM 762 CG2 ILE A 45 1.238 -3.369 -5.829 1.00 0.00 C ATOM 763 CD1 ILE A 45 -1.293 -3.899 -4.506 1.00 0.00 C ATOM 0 H ILE A 45 -1.774 -1.497 -7.110 1.00 0.00 H new ATOM 0 HA ILE A 45 1.067 -1.757 -7.662 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.160 -4.289 -7.153 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.287 -2.016 -5.505 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.160 -3.278 -6.352 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.148 -4.148 -5.072 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.089 -3.586 -6.474 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.388 -2.405 -5.343 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.192 -3.658 -3.939 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.299 -4.958 -4.763 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.413 -3.677 -3.903 1.00 0.00 H new ATOM 775 N GLY A 46 -1.184 -2.574 -9.765 1.00 0.00 N ATOM 776 CA GLY A 46 -1.437 -3.117 -11.083 1.00 0.00 C ATOM 777 C GLY A 46 -1.604 -4.622 -11.056 1.00 0.00 C ATOM 778 O GLY A 46 -1.151 -5.324 -11.959 1.00 0.00 O ATOM 0 H GLY A 46 -1.929 -1.983 -9.396 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.336 -2.660 -11.496 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.613 -2.856 -11.747 1.00 0.00 H new ATOM 782 N ARG A 47 -2.247 -5.117 -10.011 1.00 0.00 N ATOM 783 CA ARG A 47 -2.448 -6.547 -9.849 1.00 0.00 C ATOM 784 C ARG A 47 -3.929 -6.871 -9.749 1.00 0.00 C ATOM 785 O ARG A 47 -4.777 -5.981 -9.846 1.00 0.00 O ATOM 786 CB ARG A 47 -1.721 -7.046 -8.600 1.00 0.00 C ATOM 787 CG ARG A 47 -0.791 -8.214 -8.869 1.00 0.00 C ATOM 788 CD ARG A 47 0.528 -8.049 -8.140 1.00 0.00 C ATOM 789 NE ARG A 47 1.440 -7.154 -8.852 1.00 0.00 N ATOM 790 CZ ARG A 47 2.768 -7.239 -8.778 1.00 0.00 C ATOM 791 NH1 ARG A 47 3.330 -8.193 -8.052 1.00 0.00 N ATOM 792 NH2 ARG A 47 3.532 -6.380 -9.440 1.00 0.00 N ATOM 0 H ARG A 47 -2.639 -4.548 -9.261 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.038 -7.051 -10.724 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.146 -6.225 -8.171 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.458 -7.343 -7.854 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.269 -9.142 -8.554 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.609 -8.297 -9.940 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.343 -7.657 -7.140 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.999 -9.024 -8.018 1.00 0.00 H new ATOM 0 HE ARG A 47 1.037 -6.423 -9.438 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.747 -8.862 -7.550 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.346 -8.259 -7.995 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.104 -5.650 -10.009 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.548 -6.450 -9.380 1.00 0.00 H new ATOM 806 N THR A 48 -4.233 -8.146 -9.565 1.00 0.00 N ATOM 807 CA THR A 48 -5.601 -8.580 -9.352 1.00 0.00 C ATOM 808 C THR A 48 -5.759 -9.133 -7.935 1.00 0.00 C ATOM 809 O THR A 48 -4.808 -9.120 -7.152 1.00 0.00 O ATOM 810 CB THR A 48 -6.029 -9.633 -10.393 1.00 0.00 C ATOM 811 OG1 THR A 48 -5.098 -9.652 -11.484 1.00 0.00 O ATOM 812 CG2 THR A 48 -7.422 -9.326 -10.924 1.00 0.00 C ATOM 0 H THR A 48 -3.546 -8.900 -9.559 1.00 0.00 H new ATOM 0 HA THR A 48 -6.253 -7.715 -9.473 1.00 0.00 H new ATOM 0 HB THR A 48 -6.042 -10.609 -9.907 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.376 -10.325 -12.140 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.706 -10.080 -11.658 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.135 -9.334 -10.100 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.423 -8.343 -11.395 1.00 0.00 H new ATOM 820 N GLU A 49 -6.947 -9.628 -7.616 1.00 0.00 N ATOM 821 CA GLU A 49 -7.271 -10.031 -6.251 1.00 0.00 C ATOM 822 C GLU A 49 -6.541 -11.308 -5.853 1.00 0.00 C ATOM 823 O GLU A 49 -5.989 -11.404 -4.759 1.00 0.00 O ATOM 824 CB GLU A 49 -8.780 -10.221 -6.108 1.00 0.00 C ATOM 825 CG GLU A 49 -9.432 -9.216 -5.177 1.00 0.00 C ATOM 826 CD GLU A 49 -10.450 -9.852 -4.253 1.00 0.00 C ATOM 827 OE1 GLU A 49 -10.763 -11.049 -4.436 1.00 0.00 O ATOM 828 OE2 GLU A 49 -10.947 -9.160 -3.344 1.00 0.00 O ATOM 0 H GLU A 49 -7.706 -9.761 -8.285 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.940 -9.238 -5.580 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.242 -10.146 -7.092 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.978 -11.227 -5.739 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.662 -8.726 -4.581 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.919 -8.441 -5.769 1.00 0.00 H new ATOM 835 N GLU A 50 -6.506 -12.275 -6.754 1.00 0.00 N ATOM 836 CA GLU A 50 -5.889 -13.562 -6.456 1.00 0.00 C ATOM 837 C GLU A 50 -4.372 -13.475 -6.562 1.00 0.00 C ATOM 838 O GLU A 50 -3.666 -14.444 -6.289 1.00 0.00 O ATOM 839 CB GLU A 50 -6.409 -14.652 -7.398 1.00 0.00 C ATOM 840 CG GLU A 50 -7.723 -14.302 -8.077 1.00 0.00 C ATOM 841 CD GLU A 50 -7.516 -13.529 -9.362 1.00 0.00 C ATOM 842 OE1 GLU A 50 -7.182 -14.158 -10.388 1.00 0.00 O ATOM 843 OE2 GLU A 50 -7.677 -12.292 -9.348 1.00 0.00 O ATOM 0 H GLU A 50 -6.895 -12.197 -7.694 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.157 -13.825 -5.433 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.657 -14.847 -8.162 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.537 -15.576 -6.834 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.274 -15.218 -8.291 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.336 -13.712 -7.395 1.00 0.00 H new ATOM 850 N THR A 51 -3.875 -12.314 -6.954 1.00 0.00 N ATOM 851 CA THR A 51 -2.446 -12.110 -7.089 1.00 0.00 C ATOM 852 C THR A 51 -1.936 -11.098 -6.070 1.00 0.00 C ATOM 853 O THR A 51 -0.771 -10.705 -6.099 1.00 0.00 O ATOM 854 CB THR A 51 -2.107 -11.618 -8.503 1.00 0.00 C ATOM 855 OG1 THR A 51 -3.317 -11.285 -9.201 1.00 0.00 O ATOM 856 CG2 THR A 51 -1.351 -12.683 -9.278 1.00 0.00 C ATOM 0 H THR A 51 -4.442 -11.498 -7.184 1.00 0.00 H new ATOM 0 HA THR A 51 -1.958 -13.068 -6.908 1.00 0.00 H new ATOM 0 HB THR A 51 -1.474 -10.734 -8.419 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.098 -10.970 -10.103 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.122 -12.312 -10.277 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.423 -12.922 -8.758 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.965 -13.580 -9.356 1.00 0.00 H new ATOM 864 N VAL A 52 -2.815 -10.673 -5.169 1.00 0.00 N ATOM 865 CA VAL A 52 -2.460 -9.656 -4.189 1.00 0.00 C ATOM 866 C VAL A 52 -2.467 -10.204 -2.771 1.00 0.00 C ATOM 867 O VAL A 52 -1.761 -9.705 -1.898 1.00 0.00 O ATOM 868 CB VAL A 52 -3.401 -8.428 -4.291 1.00 0.00 C ATOM 869 CG1 VAL A 52 -4.677 -8.631 -3.484 1.00 0.00 C ATOM 870 CG2 VAL A 52 -2.684 -7.164 -3.849 1.00 0.00 C ATOM 0 H VAL A 52 -3.773 -11.015 -5.098 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.443 -9.339 -4.420 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.686 -8.318 -5.337 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.312 -7.750 -3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.210 -9.505 -3.859 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.424 -8.784 -2.435 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.362 -6.314 -3.928 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.359 -7.273 -2.814 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.816 -6.996 -4.487 1.00 0.00 H new ATOM 880 N VAL A 53 -3.229 -11.250 -2.549 1.00 0.00 N ATOM 881 CA VAL A 53 -3.420 -11.756 -1.202 1.00 0.00 C ATOM 882 C VAL A 53 -2.241 -12.626 -0.763 1.00 0.00 C ATOM 883 O VAL A 53 -1.610 -13.291 -1.590 1.00 0.00 O ATOM 884 CB VAL A 53 -4.742 -12.552 -1.077 1.00 0.00 C ATOM 885 CG1 VAL A 53 -5.031 -12.916 0.373 1.00 0.00 C ATOM 886 CG2 VAL A 53 -5.900 -11.756 -1.659 1.00 0.00 C ATOM 0 H VAL A 53 -3.725 -11.767 -3.275 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.477 -10.891 -0.542 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.629 -13.477 -1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.966 -13.474 0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.218 -13.529 0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.116 -12.006 0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.821 -12.331 -1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.002 -10.814 -1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.708 -11.552 -2.712 1.00 0.00 H new ATOM 896 N SER A 54 -1.934 -12.567 0.538 1.00 0.00 N ATOM 897 CA SER A 54 -0.918 -13.413 1.176 1.00 0.00 C ATOM 898 C SER A 54 0.509 -12.954 0.866 1.00 0.00 C ATOM 899 O SER A 54 1.281 -12.648 1.779 1.00 0.00 O ATOM 900 CB SER A 54 -1.097 -14.886 0.779 1.00 0.00 C ATOM 901 OG SER A 54 -2.467 -15.269 0.811 1.00 0.00 O ATOM 0 H SER A 54 -2.389 -11.923 1.185 1.00 0.00 H new ATOM 0 HA SER A 54 -1.066 -13.314 2.251 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.696 -15.046 -0.222 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.525 -15.519 1.457 1.00 0.00 H new ATOM 0 HG SER A 54 -2.550 -16.211 0.552 1.00 0.00 H new ATOM 907 N GLN A 55 0.853 -12.894 -0.411 1.00 0.00 N ATOM 908 CA GLN A 55 2.234 -12.651 -0.817 1.00 0.00 C ATOM 909 C GLN A 55 2.565 -11.160 -0.894 1.00 0.00 C ATOM 910 O GLN A 55 3.696 -10.754 -0.614 1.00 0.00 O ATOM 911 CB GLN A 55 2.507 -13.324 -2.167 1.00 0.00 C ATOM 912 CG GLN A 55 3.963 -13.263 -2.610 1.00 0.00 C ATOM 913 CD GLN A 55 4.924 -13.796 -1.564 1.00 0.00 C ATOM 914 OE1 GLN A 55 5.065 -15.006 -1.386 1.00 0.00 O ATOM 915 NE2 GLN A 55 5.591 -12.894 -0.866 1.00 0.00 N ATOM 0 H GLN A 55 0.199 -13.010 -1.185 1.00 0.00 H new ATOM 0 HA GLN A 55 2.880 -13.084 -0.053 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.200 -14.368 -2.109 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.887 -12.851 -2.928 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.081 -13.836 -3.530 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.223 -12.230 -2.842 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.445 -11.900 -1.045 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.252 -13.191 -0.148 1.00 0.00 H new ATOM 924 N LEU A 56 1.600 -10.339 -1.266 1.00 0.00 N ATOM 925 CA LEU A 56 1.869 -8.923 -1.461 1.00 0.00 C ATOM 926 C LEU A 56 1.694 -8.138 -0.169 1.00 0.00 C ATOM 927 O LEU A 56 0.694 -8.278 0.529 1.00 0.00 O ATOM 928 CB LEU A 56 0.970 -8.354 -2.555 1.00 0.00 C ATOM 929 CG LEU A 56 1.700 -7.937 -3.830 1.00 0.00 C ATOM 930 CD1 LEU A 56 1.917 -9.137 -4.739 1.00 0.00 C ATOM 931 CD2 LEU A 56 0.926 -6.854 -4.559 1.00 0.00 C ATOM 0 H LEU A 56 0.635 -10.621 -1.438 1.00 0.00 H new ATOM 0 HA LEU A 56 2.909 -8.824 -1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.217 -9.099 -2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.440 -7.489 -2.157 1.00 0.00 H new ATOM 0 HG LEU A 56 2.674 -7.536 -3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.438 -8.820 -5.642 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.515 -9.885 -4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.953 -9.568 -5.009 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.462 -6.570 -5.465 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.062 -7.229 -4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.821 -5.983 -3.912 1.00 0.00 H new ATOM 943 N ARG A 57 2.698 -7.338 0.157 1.00 0.00 N ATOM 944 CA ARG A 57 2.626 -6.428 1.287 1.00 0.00 C ATOM 945 C ARG A 57 2.925 -5.023 0.793 1.00 0.00 C ATOM 946 O ARG A 57 3.665 -4.855 -0.176 1.00 0.00 O ATOM 947 CB ARG A 57 3.616 -6.820 2.394 1.00 0.00 C ATOM 948 CG ARG A 57 3.986 -8.296 2.413 1.00 0.00 C ATOM 949 CD ARG A 57 2.920 -9.138 3.103 1.00 0.00 C ATOM 950 NE ARG A 57 3.486 -10.282 3.832 1.00 0.00 N ATOM 951 CZ ARG A 57 4.166 -11.292 3.269 1.00 0.00 C ATOM 952 NH1 ARG A 57 4.404 -11.317 1.967 1.00 0.00 N ATOM 953 NH2 ARG A 57 4.607 -12.290 4.020 1.00 0.00 N ATOM 0 H ARG A 57 3.581 -7.302 -0.352 1.00 0.00 H new ATOM 0 HA ARG A 57 1.625 -6.477 1.716 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.526 -6.231 2.276 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.187 -6.553 3.360 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.123 -8.649 1.391 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.939 -8.425 2.926 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.360 -8.511 3.797 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.211 -9.501 2.359 1.00 0.00 H new ATOM 0 HE ARG A 57 3.352 -10.310 4.843 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.068 -10.559 1.373 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.923 -12.094 1.558 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.429 -12.290 5.024 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.124 -13.059 3.594 1.00 0.00 H new ATOM 967 N ILE A 58 2.341 -4.025 1.431 1.00 0.00 N ATOM 968 CA ILE A 58 2.513 -2.647 0.994 1.00 0.00 C ATOM 969 C ILE A 58 3.027 -1.786 2.140 1.00 0.00 C ATOM 970 O ILE A 58 2.541 -1.894 3.268 1.00 0.00 O ATOM 971 CB ILE A 58 1.187 -2.060 0.450 1.00 0.00 C ATOM 972 CG1 ILE A 58 0.636 -2.935 -0.687 1.00 0.00 C ATOM 973 CG2 ILE A 58 1.377 -0.623 -0.025 1.00 0.00 C ATOM 974 CD1 ILE A 58 1.548 -3.022 -1.894 1.00 0.00 C ATOM 0 H ILE A 58 1.745 -4.140 2.251 1.00 0.00 H new ATOM 0 HA ILE A 58 3.246 -2.645 0.187 1.00 0.00 H new ATOM 0 HB ILE A 58 0.463 -2.053 1.265 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.459 -3.940 -0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.329 -2.539 -1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.430 -0.236 -0.402 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.715 -0.006 0.808 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.121 -0.598 -0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.089 -3.657 -2.652 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.706 -2.024 -2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.506 -3.448 -1.596 1.00 0.00 H new ATOM 986 N CYS A 59 4.015 -0.945 1.846 1.00 0.00 N ATOM 987 CA CYS A 59 4.608 -0.070 2.848 1.00 0.00 C ATOM 988 C CYS A 59 3.628 1.000 3.321 1.00 0.00 C ATOM 989 O CYS A 59 2.732 1.415 2.587 1.00 0.00 O ATOM 990 CB CYS A 59 5.849 0.624 2.291 1.00 0.00 C ATOM 991 SG CYS A 59 6.984 -0.461 1.372 1.00 0.00 S ATOM 0 H CYS A 59 4.422 -0.852 0.916 1.00 0.00 H new ATOM 0 HA CYS A 59 4.878 -0.702 3.694 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.531 1.433 1.634 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.394 1.080 3.117 1.00 0.00 H new ATOM 0 HG CYS A 59 6.369 -0.957 0.340 1.00 0.00 H new ATOM 996 N SER A 60 3.843 1.465 4.543 1.00 0.00 N ATOM 997 CA SER A 60 3.067 2.562 5.101 1.00 0.00 C ATOM 998 C SER A 60 3.473 3.891 4.459 1.00 0.00 C ATOM 999 O SER A 60 2.803 4.905 4.631 1.00 0.00 O ATOM 1000 CB SER A 60 3.275 2.627 6.616 1.00 0.00 C ATOM 1001 OG SER A 60 2.101 3.060 7.282 1.00 0.00 O ATOM 0 H SER A 60 4.556 1.095 5.172 1.00 0.00 H new ATOM 0 HA SER A 60 2.012 2.385 4.890 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.564 1.644 6.987 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.096 3.307 6.843 1.00 0.00 H new ATOM 0 HG SER A 60 2.195 4.003 7.530 1.00 0.00 H new ATOM 1007 N ALA A 61 4.566 3.871 3.703 1.00 0.00 N ATOM 1008 CA ALA A 61 5.087 5.079 3.070 1.00 0.00 C ATOM 1009 C ALA A 61 4.321 5.405 1.794 1.00 0.00 C ATOM 1010 O ALA A 61 4.569 6.422 1.150 1.00 0.00 O ATOM 1011 CB ALA A 61 6.569 4.917 2.765 1.00 0.00 C ATOM 0 H ALA A 61 5.110 3.029 3.513 1.00 0.00 H new ATOM 0 HA ALA A 61 4.955 5.908 3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.945 5.825 2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.114 4.738 3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.712 4.072 2.091 1.00 0.00 H new ATOM 1017 N HIS A 62 3.382 4.541 1.440 1.00 0.00 N ATOM 1018 CA HIS A 62 2.602 4.712 0.222 1.00 0.00 C ATOM 1019 C HIS A 62 1.310 5.474 0.514 1.00 0.00 C ATOM 1020 O HIS A 62 0.330 5.354 -0.221 1.00 0.00 O ATOM 1021 CB HIS A 62 2.280 3.341 -0.396 1.00 0.00 C ATOM 1022 CG HIS A 62 3.486 2.613 -0.920 1.00 0.00 C ATOM 1023 ND1 HIS A 62 4.105 2.914 -2.120 1.00 0.00 N ATOM 1024 CD2 HIS A 62 4.202 1.586 -0.374 1.00 0.00 C ATOM 1025 CE1 HIS A 62 5.154 2.082 -2.263 1.00 0.00 C ATOM 1026 NE2 HIS A 62 5.242 1.267 -1.232 1.00 0.00 N ATOM 0 H HIS A 62 3.140 3.711 1.981 1.00 0.00 H new ATOM 0 HA HIS A 62 3.192 5.291 -0.488 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.791 2.721 0.355 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.568 3.478 -1.210 1.00 0.00 H new ATOM 0 HD1 HIS A 62 3.818 3.637 -2.779 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.992 1.103 0.569 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.829 2.083 -3.106 1.00 0.00 H new ATOM 1034 N PHE A 63 1.318 6.260 1.590 1.00 0.00 N ATOM 1035 CA PHE A 63 0.124 6.979 2.025 1.00 0.00 C ATOM 1036 C PHE A 63 0.472 8.392 2.469 1.00 0.00 C ATOM 1037 O PHE A 63 1.647 8.744 2.593 1.00 0.00 O ATOM 1038 CB PHE A 63 -0.558 6.233 3.174 1.00 0.00 C ATOM 1039 CG PHE A 63 -0.844 4.796 2.861 1.00 0.00 C ATOM 1040 CD1 PHE A 63 -1.949 4.447 2.104 1.00 0.00 C ATOM 1041 CD2 PHE A 63 0.000 3.798 3.313 1.00 0.00 C ATOM 1042 CE1 PHE A 63 -2.206 3.126 1.805 1.00 0.00 C ATOM 1043 CE2 PHE A 63 -0.253 2.475 3.018 1.00 0.00 C ATOM 1044 CZ PHE A 63 -1.354 2.140 2.262 1.00 0.00 C ATOM 0 H PHE A 63 2.139 6.414 2.176 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.559 7.037 1.178 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.076 6.286 4.059 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.493 6.737 3.421 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.616 5.217 1.744 1.00 0.00 H new ATOM 0 HD2 PHE A 63 0.866 4.058 3.903 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.071 2.863 1.215 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.411 1.703 3.379 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.551 1.105 2.026 1.00 0.00 H new ATOM 1054 N GLU A 64 -0.556 9.191 2.728 1.00 0.00 N ATOM 1055 CA GLU A 64 -0.370 10.574 3.135 1.00 0.00 C ATOM 1056 C GLU A 64 0.092 10.647 4.583 1.00 0.00 C ATOM 1057 O GLU A 64 -0.662 10.330 5.508 1.00 0.00 O ATOM 1058 CB GLU A 64 -1.668 11.357 2.958 1.00 0.00 C ATOM 1059 CG GLU A 64 -1.746 12.109 1.639 1.00 0.00 C ATOM 1060 CD GLU A 64 -2.015 13.585 1.822 1.00 0.00 C ATOM 1061 OE1 GLU A 64 -1.069 14.332 2.138 1.00 0.00 O ATOM 1062 OE2 GLU A 64 -3.179 14.008 1.648 1.00 0.00 O ATOM 0 H GLU A 64 -1.532 8.900 2.662 1.00 0.00 H new ATOM 0 HA GLU A 64 0.398 11.019 2.502 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.511 10.669 3.025 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.770 12.067 3.779 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.810 11.979 1.096 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.534 11.674 1.024 1.00 0.00 H new ATOM 1069 N GLY A 65 1.340 11.043 4.776 1.00 0.00 N ATOM 1070 CA GLY A 65 1.896 11.112 6.112 1.00 0.00 C ATOM 1071 C GLY A 65 2.428 9.771 6.569 1.00 0.00 C ATOM 1072 O GLY A 65 3.149 9.681 7.562 1.00 0.00 O ATOM 0 H GLY A 65 1.980 11.318 4.031 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.699 11.848 6.134 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.130 11.455 6.807 1.00 0.00 H new ATOM 1076 N GLY A 66 2.079 8.725 5.834 1.00 0.00 N ATOM 1077 CA GLY A 66 2.521 7.392 6.174 1.00 0.00 C ATOM 1078 C GLY A 66 1.520 6.637 7.029 1.00 0.00 C ATOM 1079 O GLY A 66 1.894 5.721 7.760 1.00 0.00 O ATOM 0 H GLY A 66 1.492 8.779 5.001 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.704 6.831 5.258 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.471 7.454 6.705 1.00 0.00 H new ATOM 1083 N GLU A 67 0.248 7.005 6.940 1.00 0.00 N ATOM 1084 CA GLU A 67 -0.782 6.358 7.745 1.00 0.00 C ATOM 1085 C GLU A 67 -1.950 5.885 6.883 1.00 0.00 C ATOM 1086 O GLU A 67 -2.580 6.678 6.182 1.00 0.00 O ATOM 1087 CB GLU A 67 -1.288 7.313 8.827 1.00 0.00 C ATOM 1088 CG GLU A 67 -2.042 6.616 9.948 1.00 0.00 C ATOM 1089 CD GLU A 67 -2.068 7.420 11.232 1.00 0.00 C ATOM 1090 OE1 GLU A 67 -0.999 7.923 11.649 1.00 0.00 O ATOM 1091 OE2 GLU A 67 -3.157 7.551 11.834 1.00 0.00 O ATOM 0 H GLU A 67 -0.094 7.742 6.324 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.333 5.484 8.216 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.440 7.851 9.250 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.940 8.056 8.368 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.065 6.423 9.625 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.581 5.647 10.141 1.00 0.00 H new ATOM 1098 N LYS A 68 -2.217 4.586 6.931 1.00 0.00 N ATOM 1099 CA LYS A 68 -3.389 4.015 6.281 1.00 0.00 C ATOM 1100 C LYS A 68 -4.475 3.770 7.317 1.00 0.00 C ATOM 1101 O LYS A 68 -4.299 2.965 8.234 1.00 0.00 O ATOM 1102 CB LYS A 68 -3.032 2.706 5.576 1.00 0.00 C ATOM 1103 CG LYS A 68 -4.242 1.861 5.201 1.00 0.00 C ATOM 1104 CD LYS A 68 -3.953 0.377 5.350 1.00 0.00 C ATOM 1105 CE LYS A 68 -4.143 -0.104 6.786 1.00 0.00 C ATOM 1106 NZ LYS A 68 -5.346 0.484 7.441 1.00 0.00 N ATOM 0 H LYS A 68 -1.634 3.905 7.417 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.753 4.718 5.532 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.465 2.933 4.673 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.379 2.121 6.224 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.087 2.133 5.833 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.532 2.075 4.172 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.610 -0.188 4.689 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.930 0.174 5.032 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.227 -1.191 6.792 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.258 0.150 7.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.712 -0.179 8.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.087 1.380 7.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.079 0.662 6.725 1.00 0.00 H new ATOM 1120 N LYS A 69 -5.591 4.456 7.180 1.00 0.00 N ATOM 1121 CA LYS A 69 -6.691 4.291 8.106 1.00 0.00 C ATOM 1122 C LYS A 69 -7.760 3.387 7.506 1.00 0.00 C ATOM 1123 O LYS A 69 -7.626 2.161 7.532 1.00 0.00 O ATOM 1124 CB LYS A 69 -7.284 5.645 8.493 1.00 0.00 C ATOM 1125 CG LYS A 69 -6.833 6.135 9.858 1.00 0.00 C ATOM 1126 CD LYS A 69 -8.002 6.260 10.823 1.00 0.00 C ATOM 1127 CE LYS A 69 -7.873 5.294 11.989 1.00 0.00 C ATOM 1128 NZ LYS A 69 -9.123 4.523 12.219 1.00 0.00 N ATOM 0 H LYS A 69 -5.760 5.133 6.436 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.308 3.819 9.011 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.006 6.383 7.741 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.372 5.573 8.482 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.095 5.445 10.267 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.342 7.102 9.754 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.055 7.281 11.200 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.934 6.068 10.292 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.052 4.603 11.797 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.619 5.849 12.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.995 3.889 13.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.906 5.180 12.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.344 3.959 11.373 1.00 0.00 H new ATOM 1142 N GLU A 70 -8.796 3.986 6.931 1.00 0.00 N ATOM 1143 CA GLU A 70 -9.947 3.223 6.467 1.00 0.00 C ATOM 1144 C GLU A 70 -10.151 3.349 4.957 1.00 0.00 C ATOM 1145 O GLU A 70 -10.567 2.395 4.299 1.00 0.00 O ATOM 1146 CB GLU A 70 -11.205 3.685 7.203 1.00 0.00 C ATOM 1147 CG GLU A 70 -11.617 2.765 8.339 1.00 0.00 C ATOM 1148 CD GLU A 70 -10.698 2.861 9.541 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -10.293 3.985 9.905 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -10.385 1.811 10.140 1.00 0.00 O ATOM 0 H GLU A 70 -8.862 4.992 6.776 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.755 2.172 6.684 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -11.037 4.686 7.600 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.026 3.759 6.490 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.634 3.008 8.646 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.630 1.736 7.980 1.00 0.00 H new ATOM 1157 N GLY A 71 -9.856 4.520 4.408 1.00 0.00 N ATOM 1158 CA GLY A 71 -10.102 4.751 2.996 1.00 0.00 C ATOM 1159 C GLY A 71 -8.889 5.289 2.272 1.00 0.00 C ATOM 1160 O GLY A 71 -8.991 6.255 1.514 1.00 0.00 O ATOM 0 H GLY A 71 -9.453 5.311 4.911 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.414 3.817 2.528 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.927 5.454 2.886 1.00 0.00 H new ATOM 1164 N ASP A 72 -7.744 4.663 2.497 1.00 0.00 N ATOM 1165 CA ASP A 72 -6.504 5.088 1.861 1.00 0.00 C ATOM 1166 C ASP A 72 -5.991 4.016 0.912 1.00 0.00 C ATOM 1167 O ASP A 72 -5.644 2.918 1.343 1.00 0.00 O ATOM 1168 CB ASP A 72 -5.423 5.387 2.905 1.00 0.00 C ATOM 1169 CG ASP A 72 -5.901 6.301 4.010 1.00 0.00 C ATOM 1170 OD1 ASP A 72 -5.820 7.534 3.845 1.00 0.00 O ATOM 1171 OD2 ASP A 72 -6.355 5.784 5.053 1.00 0.00 O ATOM 0 H ASP A 72 -7.646 3.858 3.116 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.722 5.997 1.301 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.078 4.449 3.341 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.565 5.843 2.410 1.00 0.00 H new ATOM 1176 N ILE A 73 -5.961 4.338 -0.374 1.00 0.00 N ATOM 1177 CA ILE A 73 -5.376 3.463 -1.383 1.00 0.00 C ATOM 1178 C ILE A 73 -3.929 3.887 -1.611 1.00 0.00 C ATOM 1179 O ILE A 73 -3.641 5.082 -1.682 1.00 0.00 O ATOM 1180 CB ILE A 73 -6.167 3.528 -2.718 1.00 0.00 C ATOM 1181 CG1 ILE A 73 -7.645 3.218 -2.471 1.00 0.00 C ATOM 1182 CG2 ILE A 73 -5.592 2.571 -3.755 1.00 0.00 C ATOM 1183 CD1 ILE A 73 -8.586 4.088 -3.271 1.00 0.00 C ATOM 0 H ILE A 73 -6.339 5.209 -0.747 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.419 2.433 -1.028 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.075 4.540 -3.113 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.834 2.173 -2.715 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.862 3.342 -1.410 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.170 2.643 -4.676 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.554 2.834 -3.956 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.641 1.551 -3.375 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.616 3.813 -3.046 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.425 5.134 -3.010 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.397 3.946 -4.335 1.00 0.00 H new ATOM 1195 N PRO A 74 -2.998 2.927 -1.716 1.00 0.00 N ATOM 1196 CA PRO A 74 -1.572 3.232 -1.813 1.00 0.00 C ATOM 1197 C PRO A 74 -1.227 3.975 -3.094 1.00 0.00 C ATOM 1198 O PRO A 74 -1.884 3.809 -4.119 1.00 0.00 O ATOM 1199 CB PRO A 74 -0.903 1.857 -1.799 1.00 0.00 C ATOM 1200 CG PRO A 74 -1.955 0.911 -2.261 1.00 0.00 C ATOM 1201 CD PRO A 74 -3.261 1.481 -1.789 1.00 0.00 C ATOM 0 HA PRO A 74 -1.244 3.885 -1.004 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.035 1.834 -2.458 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.552 1.599 -0.800 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.942 0.813 -3.346 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.792 -0.085 -1.849 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.071 1.255 -2.482 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.549 1.076 -0.819 1.00 0.00 H new ATOM 1209 N VAL A 75 -0.207 4.808 -3.028 1.00 0.00 N ATOM 1210 CA VAL A 75 0.288 5.490 -4.209 1.00 0.00 C ATOM 1211 C VAL A 75 1.783 5.246 -4.365 1.00 0.00 C ATOM 1212 O VAL A 75 2.466 4.895 -3.398 1.00 0.00 O ATOM 1213 CB VAL A 75 0.016 7.010 -4.170 1.00 0.00 C ATOM 1214 CG1 VAL A 75 -1.383 7.320 -4.684 1.00 0.00 C ATOM 1215 CG2 VAL A 75 0.214 7.566 -2.769 1.00 0.00 C ATOM 0 H VAL A 75 0.296 5.029 -2.169 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.251 5.080 -5.063 1.00 0.00 H new ATOM 0 HB VAL A 75 0.736 7.498 -4.827 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.554 8.396 -4.648 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.478 6.972 -5.712 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.120 6.815 -4.060 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.016 8.638 -2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.472 7.072 -2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.240 7.388 -2.448 1.00 0.00 H new ATOM 1225 N PRO A 76 2.309 5.410 -5.585 1.00 0.00 N ATOM 1226 CA PRO A 76 3.733 5.201 -5.857 1.00 0.00 C ATOM 1227 C PRO A 76 4.592 6.284 -5.222 1.00 0.00 C ATOM 1228 O PRO A 76 5.759 6.066 -4.896 1.00 0.00 O ATOM 1229 CB PRO A 76 3.827 5.274 -7.384 1.00 0.00 C ATOM 1230 CG PRO A 76 2.626 6.045 -7.820 1.00 0.00 C ATOM 1231 CD PRO A 76 1.558 5.811 -6.787 1.00 0.00 C ATOM 0 HA PRO A 76 4.095 4.259 -5.446 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.746 5.769 -7.698 1.00 0.00 H new ATOM 0 HB3 PRO A 76 3.835 4.277 -7.825 1.00 0.00 H new ATOM 0 HG2 PRO A 76 2.858 7.107 -7.902 1.00 0.00 H new ATOM 0 HG3 PRO A 76 2.291 5.715 -8.803 1.00 0.00 H new ATOM 0 HD2 PRO A 76 0.970 6.712 -6.609 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.862 5.033 -7.101 1.00 0.00 H new ATOM 1239 N ASP A 77 3.981 7.439 -5.034 1.00 0.00 N ATOM 1240 CA ASP A 77 4.660 8.619 -4.527 1.00 0.00 C ATOM 1241 C ASP A 77 3.629 9.702 -4.271 1.00 0.00 C ATOM 1242 O ASP A 77 3.039 10.229 -5.209 1.00 0.00 O ATOM 1243 CB ASP A 77 5.701 9.099 -5.544 1.00 0.00 C ATOM 1244 CG ASP A 77 6.601 10.187 -5.001 1.00 0.00 C ATOM 1245 OD1 ASP A 77 6.112 11.311 -4.803 1.00 0.00 O ATOM 1246 OD2 ASP A 77 7.807 9.929 -4.800 1.00 0.00 O ATOM 0 H ASP A 77 2.991 7.587 -5.230 1.00 0.00 H new ATOM 0 HA ASP A 77 5.176 8.382 -3.596 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.312 8.252 -5.857 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.189 9.469 -6.433 1.00 0.00 H new ATOM 1251 N PRO A 78 3.372 10.030 -2.995 1.00 0.00 N ATOM 1252 CA PRO A 78 2.345 11.013 -2.612 1.00 0.00 C ATOM 1253 C PRO A 78 2.553 12.389 -3.244 1.00 0.00 C ATOM 1254 O PRO A 78 1.615 13.185 -3.343 1.00 0.00 O ATOM 1255 CB PRO A 78 2.488 11.107 -1.090 1.00 0.00 C ATOM 1256 CG PRO A 78 3.134 9.829 -0.684 1.00 0.00 C ATOM 1257 CD PRO A 78 4.046 9.453 -1.817 1.00 0.00 C ATOM 0 HA PRO A 78 1.358 10.700 -2.953 1.00 0.00 H new ATOM 0 HB2 PRO A 78 3.096 11.965 -0.803 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.517 11.229 -0.609 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.693 9.951 0.244 1.00 0.00 H new ATOM 0 HG3 PRO A 78 2.389 9.053 -0.508 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.046 9.865 -1.683 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.156 8.372 -1.905 1.00 0.00 H new ATOM 1265 N THR A 79 3.778 12.671 -3.661 1.00 0.00 N ATOM 1266 CA THR A 79 4.089 13.956 -4.259 1.00 0.00 C ATOM 1267 C THR A 79 4.026 13.891 -5.787 1.00 0.00 C ATOM 1268 O THR A 79 3.668 14.869 -6.447 1.00 0.00 O ATOM 1269 CB THR A 79 5.477 14.445 -3.805 1.00 0.00 C ATOM 1270 OG1 THR A 79 6.253 13.343 -3.318 1.00 0.00 O ATOM 1271 CG2 THR A 79 5.340 15.473 -2.700 1.00 0.00 C ATOM 0 H THR A 79 4.568 12.029 -3.596 1.00 0.00 H new ATOM 0 HA THR A 79 3.336 14.668 -3.919 1.00 0.00 H new ATOM 0 HB THR A 79 5.976 14.897 -4.662 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.481 12.749 -4.063 1.00 0.00 H new ATOM 0 HG21 THR A 79 6.330 15.808 -2.390 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.766 16.325 -3.065 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.826 15.026 -1.849 1.00 0.00 H new ATOM 1279 N VAL A 80 4.360 12.734 -6.347 1.00 0.00 N ATOM 1280 CA VAL A 80 4.334 12.549 -7.791 1.00 0.00 C ATOM 1281 C VAL A 80 2.927 12.196 -8.268 1.00 0.00 C ATOM 1282 O VAL A 80 2.445 12.720 -9.276 1.00 0.00 O ATOM 1283 CB VAL A 80 5.332 11.447 -8.222 1.00 0.00 C ATOM 1284 CG1 VAL A 80 4.973 10.866 -9.583 1.00 0.00 C ATOM 1285 CG2 VAL A 80 6.751 11.993 -8.235 1.00 0.00 C ATOM 0 H VAL A 80 4.652 11.910 -5.822 1.00 0.00 H new ATOM 0 HA VAL A 80 4.632 13.490 -8.253 1.00 0.00 H new ATOM 0 HB VAL A 80 5.270 10.640 -7.492 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.696 10.096 -9.852 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.976 10.429 -9.540 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.990 11.657 -10.332 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.441 11.206 -8.540 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.815 12.824 -8.938 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.016 12.341 -7.237 1.00 0.00 H new ATOM 1295 N ASP A 81 2.267 11.321 -7.531 1.00 0.00 N ATOM 1296 CA ASP A 81 0.944 10.851 -7.905 1.00 0.00 C ATOM 1297 C ASP A 81 -0.087 11.304 -6.884 1.00 0.00 C ATOM 1298 O ASP A 81 0.236 11.528 -5.716 1.00 0.00 O ATOM 1299 CB ASP A 81 0.929 9.325 -8.023 1.00 0.00 C ATOM 1300 CG ASP A 81 -0.232 8.806 -8.854 1.00 0.00 C ATOM 1301 OD1 ASP A 81 -1.044 9.619 -9.336 1.00 0.00 O ATOM 1302 OD2 ASP A 81 -0.337 7.575 -9.031 1.00 0.00 O ATOM 0 H ASP A 81 2.627 10.919 -6.665 1.00 0.00 H new ATOM 0 HA ASP A 81 0.691 11.279 -8.875 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.866 8.991 -8.469 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.878 8.889 -7.025 1.00 0.00 H new ATOM 1307 N LYS A 82 -1.321 11.444 -7.332 1.00 0.00 N ATOM 1308 CA LYS A 82 -2.402 11.870 -6.467 1.00 0.00 C ATOM 1309 C LYS A 82 -2.814 10.734 -5.543 1.00 0.00 C ATOM 1310 O LYS A 82 -3.439 9.769 -5.987 1.00 0.00 O ATOM 1311 CB LYS A 82 -3.603 12.329 -7.296 1.00 0.00 C ATOM 1312 CG LYS A 82 -3.262 13.366 -8.355 1.00 0.00 C ATOM 1313 CD LYS A 82 -3.040 14.739 -7.743 1.00 0.00 C ATOM 1314 CE LYS A 82 -1.848 15.440 -8.373 1.00 0.00 C ATOM 1315 NZ LYS A 82 -2.267 16.555 -9.258 1.00 0.00 N ATOM 0 H LYS A 82 -1.599 11.267 -8.297 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.052 12.709 -5.865 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.049 11.461 -7.782 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.357 12.742 -6.626 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.365 13.057 -8.892 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -4.069 13.419 -9.086 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.934 15.348 -7.877 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.880 14.639 -6.669 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.196 15.824 -7.588 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.265 14.720 -8.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.425 17.008 -9.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.868 16.185 -10.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.802 17.255 -8.705 1.00 0.00 H new ATOM 1329 N GLN A 83 -2.397 10.841 -4.283 1.00 0.00 N ATOM 1330 CA GLN A 83 -2.803 9.919 -3.220 1.00 0.00 C ATOM 1331 C GLN A 83 -4.258 9.498 -3.387 1.00 0.00 C ATOM 1332 O GLN A 83 -5.167 10.324 -3.288 1.00 0.00 O ATOM 1333 CB GLN A 83 -2.605 10.585 -1.853 1.00 0.00 C ATOM 1334 CG GLN A 83 -3.252 9.832 -0.700 1.00 0.00 C ATOM 1335 CD GLN A 83 -2.498 8.573 -0.337 1.00 0.00 C ATOM 1336 OE1 GLN A 83 -1.283 8.596 -0.163 1.00 0.00 O ATOM 1337 NE2 GLN A 83 -3.211 7.467 -0.229 1.00 0.00 N ATOM 0 H GLN A 83 -1.763 11.575 -3.967 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.181 9.026 -3.284 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.537 10.680 -1.658 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -3.014 11.595 -1.889 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -3.305 10.484 0.172 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.277 9.574 -0.968 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.219 7.493 -0.382 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.754 6.586 0.008 1.00 0.00 H new ATOM 1346 N ILE A 84 -4.478 8.216 -3.650 1.00 0.00 N ATOM 1347 CA ILE A 84 -5.824 7.738 -3.889 1.00 0.00 C ATOM 1348 C ILE A 84 -6.551 7.537 -2.574 1.00 0.00 C ATOM 1349 O ILE A 84 -6.374 6.527 -1.903 1.00 0.00 O ATOM 1350 CB ILE A 84 -5.883 6.421 -4.700 1.00 0.00 C ATOM 1351 CG1 ILE A 84 -4.511 6.058 -5.289 1.00 0.00 C ATOM 1352 CG2 ILE A 84 -6.937 6.539 -5.796 1.00 0.00 C ATOM 1353 CD1 ILE A 84 -4.586 5.196 -6.527 1.00 0.00 C ATOM 0 H ILE A 84 -3.751 7.502 -3.702 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.309 8.508 -4.488 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.163 5.613 -4.025 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.975 6.976 -5.529 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.927 5.537 -4.530 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.976 5.610 -6.365 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.911 6.729 -5.345 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.679 7.362 -6.462 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.578 4.982 -6.883 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.093 4.261 -6.289 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.141 5.722 -7.303 1.00 0.00 H new ATOM 1365 N LYS A 85 -7.353 8.508 -2.196 1.00 0.00 N ATOM 1366 CA LYS A 85 -8.124 8.413 -0.973 1.00 0.00 C ATOM 1367 C LYS A 85 -9.609 8.418 -1.296 1.00 0.00 C ATOM 1368 O LYS A 85 -10.035 8.999 -2.295 1.00 0.00 O ATOM 1369 CB LYS A 85 -7.773 9.563 -0.021 1.00 0.00 C ATOM 1370 CG LYS A 85 -7.921 10.945 -0.638 1.00 0.00 C ATOM 1371 CD LYS A 85 -8.692 11.878 0.280 1.00 0.00 C ATOM 1372 CE LYS A 85 -10.071 12.190 -0.275 1.00 0.00 C ATOM 1373 NZ LYS A 85 -11.149 11.848 0.689 1.00 0.00 N ATOM 0 H LYS A 85 -7.489 9.374 -2.718 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.877 7.476 -0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.412 9.499 0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.746 9.437 0.321 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.935 11.363 -0.840 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.436 10.865 -1.595 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.790 11.422 1.265 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.133 12.805 0.412 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -10.130 13.249 -0.524 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -10.223 11.635 -1.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.066 11.849 0.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.971 10.905 1.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.166 12.551 1.455 1.00 0.00 H new ATOM 1387 N ILE A 86 -10.390 7.750 -0.468 1.00 0.00 N ATOM 1388 CA ILE A 86 -11.831 7.707 -0.651 1.00 0.00 C ATOM 1389 C ILE A 86 -12.500 8.603 0.384 1.00 0.00 C ATOM 1390 O ILE A 86 -11.835 9.115 1.287 1.00 0.00 O ATOM 1391 CB ILE A 86 -12.391 6.263 -0.535 1.00 0.00 C ATOM 1392 CG1 ILE A 86 -11.326 5.228 -0.919 1.00 0.00 C ATOM 1393 CG2 ILE A 86 -13.624 6.098 -1.417 1.00 0.00 C ATOM 1394 CD1 ILE A 86 -11.538 3.873 -0.274 1.00 0.00 C ATOM 0 H ILE A 86 -10.051 7.228 0.340 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.051 8.064 -1.657 1.00 0.00 H new ATOM 0 HB ILE A 86 -12.674 6.094 0.504 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.321 5.109 -2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.344 5.607 -0.635 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -14.004 5.081 -1.324 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -14.393 6.803 -1.102 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.357 6.292 -2.456 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.748 3.192 -0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.513 3.978 0.811 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.505 3.473 -0.578 1.00 0.00 H new ATOM 1406 N GLU A 87 -13.795 8.821 0.247 1.00 0.00 N ATOM 1407 CA GLU A 87 -14.532 9.611 1.217 1.00 0.00 C ATOM 1408 C GLU A 87 -15.213 8.697 2.220 1.00 0.00 C ATOM 1409 O GLU A 87 -16.248 8.098 1.921 1.00 0.00 O ATOM 1410 CB GLU A 87 -15.568 10.498 0.524 1.00 0.00 C ATOM 1411 CG GLU A 87 -15.569 11.927 1.036 1.00 0.00 C ATOM 1412 CD GLU A 87 -14.230 12.608 0.852 1.00 0.00 C ATOM 1413 OE1 GLU A 87 -13.600 12.412 -0.206 1.00 0.00 O ATOM 1414 OE2 GLU A 87 -13.792 13.337 1.766 1.00 0.00 O ATOM 0 H GLU A 87 -14.358 8.463 -0.525 1.00 0.00 H new ATOM 0 HA GLU A 87 -13.828 10.256 1.742 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.373 10.503 -0.548 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -16.559 10.067 0.666 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -16.338 12.496 0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -15.833 11.931 2.094 1.00 0.00 H new