USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 484 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 555 GLN : amide:sc= -0.111 K(o=-5.9,f=-7.7) USER MOD Set 1.2: A 566 HIS : no HD1:sc= -5.78! C(o=-5.9!,f=-6.4!) USER MOD Single : A 530 THR OG1 : rot 180:sc= 0.0022 USER MOD Single : A 531 TYR OH : rot -120:sc= 0.0538 USER MOD Single : A 532 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 535 MET CE :methyl 146:sc= -2.53 (180deg=-3.83!) USER MOD Single : A 536 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.106) USER MOD Single : A 544 MET CE :methyl 173:sc= -2.77! (180deg=-3.14!) USER MOD Single : A 545 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 549 MET CE :methyl -140:sc= -3.82! (180deg=-5.21!) USER MOD Single : A 550 GLN : amide:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 551 SER OG : rot 180:sc= 0 USER MOD Single : A 554 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 557 GLN : amide:sc= -0.604 K(o=-0.6,f=-1.9!) USER MOD Single : A 558 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 559 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.031) USER MOD Single : A 564 GLN : amide:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 567 MET CE :methyl -156:sc= -0.137 (180deg=-0.963) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 569 ASN : amide:sc= -1.62 X(o=-1.6,f=-1.4) USER MOD Single : A 574 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 575 LYS NZ :NH3+ -109:sc= -0.542 (180deg=-1.92!) USER MOD Single : A 577 GLN : amide:sc= -5.42 X(o=-5.4,f=-5.2!) USER MOD Single : A 578 THR OG1 : rot 82:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 527 69.755 -2.080 6.735 1.00 0.00 N ATOM 108 CA PRO A 527 69.635 -2.133 5.243 1.00 0.00 C ATOM 109 C PRO A 527 70.655 -3.090 4.622 1.00 0.00 C ATOM 110 O PRO A 527 70.407 -3.686 3.573 1.00 0.00 O ATOM 111 CB PRO A 527 69.898 -0.693 4.806 1.00 0.00 C ATOM 112 CG PRO A 527 69.471 0.149 5.959 1.00 0.00 C ATOM 113 CD PRO A 527 69.694 -0.685 7.222 1.00 0.00 C ATOM 0 HA PRO A 527 68.663 -2.506 4.921 1.00 0.00 H new ATOM 0 HB2 PRO A 527 70.952 -0.538 4.574 1.00 0.00 H new ATOM 0 HB3 PRO A 527 69.334 -0.445 3.907 1.00 0.00 H new ATOM 0 HG2 PRO A 527 70.049 1.072 5.998 1.00 0.00 H new ATOM 0 HG3 PRO A 527 68.423 0.433 5.863 1.00 0.00 H new ATOM 0 HD2 PRO A 527 70.616 -0.400 7.729 1.00 0.00 H new ATOM 0 HD3 PRO A 527 68.882 -0.549 7.937 1.00 0.00 H new ATOM 121 N GLU A 528 71.789 -3.260 5.307 1.00 0.00 N ATOM 122 CA GLU A 528 72.784 -4.248 4.899 1.00 0.00 C ATOM 123 C GLU A 528 72.199 -5.658 4.958 1.00 0.00 C ATOM 124 O GLU A 528 72.491 -6.494 4.101 1.00 0.00 O ATOM 125 CB GLU A 528 74.012 -4.166 5.811 1.00 0.00 C ATOM 126 CG GLU A 528 74.704 -2.814 5.617 1.00 0.00 C ATOM 127 CD GLU A 528 75.989 -2.753 6.442 1.00 0.00 C ATOM 128 OE1 GLU A 528 76.004 -3.307 7.530 1.00 0.00 O ATOM 129 OE2 GLU A 528 76.939 -2.150 5.971 1.00 0.00 O ATOM 0 H GLU A 528 72.038 -2.729 6.141 1.00 0.00 H new ATOM 0 HA GLU A 528 73.079 -4.031 3.872 1.00 0.00 H new ATOM 0 HB2 GLU A 528 73.713 -4.287 6.852 1.00 0.00 H new ATOM 0 HB3 GLU A 528 74.704 -4.977 5.581 1.00 0.00 H new ATOM 0 HG2 GLU A 528 74.933 -2.663 4.562 1.00 0.00 H new ATOM 0 HG3 GLU A 528 74.033 -2.008 5.916 1.00 0.00 H new ATOM 136 N GLU A 529 71.331 -5.903 5.945 1.00 0.00 N ATOM 137 CA GLU A 529 70.685 -7.209 6.070 1.00 0.00 C ATOM 138 C GLU A 529 69.757 -7.459 4.881 1.00 0.00 C ATOM 139 O GLU A 529 69.711 -8.565 4.341 1.00 0.00 O ATOM 140 CB GLU A 529 69.887 -7.282 7.376 1.00 0.00 C ATOM 141 CG GLU A 529 69.432 -8.723 7.625 1.00 0.00 C ATOM 142 CD GLU A 529 68.530 -8.783 8.854 1.00 0.00 C ATOM 143 OE1 GLU A 529 67.692 -7.907 8.994 1.00 0.00 O ATOM 144 OE2 GLU A 529 68.691 -9.704 9.638 1.00 0.00 O ATOM 0 H GLU A 529 71.064 -5.224 6.658 1.00 0.00 H new ATOM 0 HA GLU A 529 71.458 -7.977 6.082 1.00 0.00 H new ATOM 0 HB2 GLU A 529 70.500 -6.936 8.208 1.00 0.00 H new ATOM 0 HB3 GLU A 529 69.021 -6.622 7.322 1.00 0.00 H new ATOM 0 HG2 GLU A 529 68.897 -9.100 6.753 1.00 0.00 H new ATOM 0 HG3 GLU A 529 70.300 -9.367 7.769 1.00 0.00 H new ATOM 151 N THR A 530 69.047 -6.412 4.454 1.00 0.00 N ATOM 152 CA THR A 530 68.123 -6.528 3.324 1.00 0.00 C ATOM 153 C THR A 530 68.861 -6.957 2.056 1.00 0.00 C ATOM 154 O THR A 530 68.422 -7.866 1.352 1.00 0.00 O ATOM 155 CB THR A 530 67.426 -5.187 3.078 1.00 0.00 C ATOM 156 OG1 THR A 530 66.982 -4.654 4.317 1.00 0.00 O ATOM 157 CG2 THR A 530 66.223 -5.388 2.151 1.00 0.00 C ATOM 0 H THR A 530 69.093 -5.482 4.870 1.00 0.00 H new ATOM 0 HA THR A 530 67.381 -7.288 3.570 1.00 0.00 H new ATOM 0 HB THR A 530 68.128 -4.497 2.610 1.00 0.00 H new ATOM 0 HG1 THR A 530 66.537 -3.795 4.163 1.00 0.00 H new ATOM 0 HG21 THR A 530 65.731 -4.430 1.980 1.00 0.00 H new ATOM 0 HG22 THR A 530 66.562 -5.797 1.199 1.00 0.00 H new ATOM 0 HG23 THR A 530 65.519 -6.080 2.613 1.00 0.00 H new ATOM 165 N TYR A 531 69.999 -6.314 1.787 1.00 0.00 N ATOM 166 CA TYR A 531 70.794 -6.635 0.601 1.00 0.00 C ATOM 167 C TYR A 531 71.224 -8.102 0.601 1.00 0.00 C ATOM 168 O TYR A 531 71.039 -8.805 -0.390 1.00 0.00 O ATOM 169 CB TYR A 531 72.032 -5.735 0.543 1.00 0.00 C ATOM 170 CG TYR A 531 72.829 -5.879 -0.733 1.00 0.00 C ATOM 171 CD1 TYR A 531 72.503 -5.090 -1.864 1.00 0.00 C ATOM 172 CD2 TYR A 531 73.901 -6.803 -0.799 1.00 0.00 C ATOM 173 CE1 TYR A 531 73.250 -5.225 -3.059 1.00 0.00 C ATOM 174 CE2 TYR A 531 74.647 -6.937 -1.995 1.00 0.00 C ATOM 175 CZ TYR A 531 74.322 -6.148 -3.126 1.00 0.00 C ATOM 176 OH TYR A 531 75.049 -6.279 -4.290 1.00 0.00 O ATOM 0 H TYR A 531 70.388 -5.573 2.370 1.00 0.00 H new ATOM 0 HA TYR A 531 70.173 -6.461 -0.278 1.00 0.00 H new ATOM 0 HB2 TYR A 531 71.720 -4.696 0.651 1.00 0.00 H new ATOM 0 HB3 TYR A 531 72.677 -5.964 1.391 1.00 0.00 H new ATOM 0 HD1 TYR A 531 71.685 -4.386 -1.814 1.00 0.00 H new ATOM 0 HD2 TYR A 531 74.149 -7.405 0.063 1.00 0.00 H new ATOM 0 HE1 TYR A 531 73.002 -4.623 -3.921 1.00 0.00 H new ATOM 0 HE2 TYR A 531 75.464 -7.641 -2.045 1.00 0.00 H new ATOM 0 HH TYR A 531 74.975 -7.199 -4.620 1.00 0.00 H new ATOM 186 N GLN A 532 71.762 -8.573 1.730 1.00 0.00 N ATOM 187 CA GLN A 532 72.240 -9.958 1.825 1.00 0.00 C ATOM 188 C GLN A 532 71.122 -10.955 1.508 1.00 0.00 C ATOM 189 O GLN A 532 71.317 -11.895 0.731 1.00 0.00 O ATOM 190 CB GLN A 532 72.784 -10.231 3.230 1.00 0.00 C ATOM 191 CG GLN A 532 74.047 -9.398 3.460 1.00 0.00 C ATOM 192 CD GLN A 532 74.630 -9.702 4.837 1.00 0.00 C ATOM 193 OE1 GLN A 532 74.572 -10.841 5.301 1.00 0.00 O ATOM 194 NE2 GLN A 532 75.192 -8.743 5.522 1.00 0.00 N ATOM 0 H GLN A 532 71.877 -8.024 2.582 1.00 0.00 H new ATOM 0 HA GLN A 532 73.036 -10.087 1.091 1.00 0.00 H new ATOM 0 HB2 GLN A 532 72.031 -9.983 3.978 1.00 0.00 H new ATOM 0 HB3 GLN A 532 73.009 -11.291 3.345 1.00 0.00 H new ATOM 0 HG2 GLN A 532 74.784 -9.619 2.687 1.00 0.00 H new ATOM 0 HG3 GLN A 532 73.812 -8.337 3.382 1.00 0.00 H new ATOM 0 HE21 GLN A 532 75.239 -7.800 5.136 1.00 0.00 H new ATOM 0 HE22 GLN A 532 75.584 -8.937 6.443 1.00 0.00 H new ATOM 203 N ARG A 533 69.928 -10.705 2.050 1.00 0.00 N ATOM 204 CA ARG A 533 68.788 -11.592 1.810 1.00 0.00 C ATOM 205 C ARG A 533 68.495 -11.682 0.313 1.00 0.00 C ATOM 206 O ARG A 533 68.478 -12.772 -0.259 1.00 0.00 O ATOM 207 CB ARG A 533 67.551 -11.072 2.549 1.00 0.00 C ATOM 208 CG ARG A 533 66.456 -12.141 2.536 1.00 0.00 C ATOM 209 CD ARG A 533 65.200 -11.595 3.218 1.00 0.00 C ATOM 210 NE ARG A 533 64.178 -12.638 3.310 1.00 0.00 N ATOM 211 CZ ARG A 533 63.453 -13.029 2.250 1.00 0.00 C ATOM 212 NH1 ARG A 533 63.628 -12.488 1.066 1.00 0.00 N ATOM 213 NH2 ARG A 533 62.557 -13.965 2.400 1.00 0.00 N ATOM 0 H ARG A 533 69.727 -9.906 2.651 1.00 0.00 H new ATOM 0 HA ARG A 533 69.035 -12.586 2.184 1.00 0.00 H new ATOM 0 HB2 ARG A 533 67.810 -10.815 3.576 1.00 0.00 H new ATOM 0 HB3 ARG A 533 67.188 -10.160 2.074 1.00 0.00 H new ATOM 0 HG2 ARG A 533 66.229 -12.431 1.510 1.00 0.00 H new ATOM 0 HG3 ARG A 533 66.802 -13.037 3.051 1.00 0.00 H new ATOM 0 HD2 ARG A 533 65.448 -11.231 4.215 1.00 0.00 H new ATOM 0 HD3 ARG A 533 64.813 -10.745 2.656 1.00 0.00 H new ATOM 0 HE ARG A 533 64.010 -13.084 4.212 1.00 0.00 H new ATOM 0 HH11 ARG A 533 64.326 -11.755 0.938 1.00 0.00 H new ATOM 0 HH12 ARG A 533 63.066 -12.801 0.274 1.00 0.00 H new ATOM 0 HH21 ARG A 533 62.413 -14.391 3.315 1.00 0.00 H new ATOM 0 HH22 ARG A 533 62.000 -14.270 1.602 1.00 0.00 H new ATOM 227 N ALA A 534 68.418 -10.520 -0.336 1.00 0.00 N ATOM 228 CA ALA A 534 68.144 -10.463 -1.774 1.00 0.00 C ATOM 229 C ALA A 534 69.247 -11.166 -2.571 1.00 0.00 C ATOM 230 O ALA A 534 68.978 -11.819 -3.579 1.00 0.00 O ATOM 231 CB ALA A 534 68.048 -9.004 -2.224 1.00 0.00 C ATOM 0 H ALA A 534 68.541 -9.610 0.107 1.00 0.00 H new ATOM 0 HA ALA A 534 67.199 -10.973 -1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 534 67.844 -8.966 -3.294 1.00 0.00 H new ATOM 0 HB2 ALA A 534 67.242 -8.509 -1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 534 68.990 -8.496 -2.016 1.00 0.00 H new ATOM 237 N MET A 535 70.486 -11.046 -2.089 1.00 0.00 N ATOM 238 CA MET A 535 71.642 -11.610 -2.787 1.00 0.00 C ATOM 239 C MET A 535 71.549 -13.135 -2.882 1.00 0.00 C ATOM 240 O MET A 535 72.075 -13.733 -3.822 1.00 0.00 O ATOM 241 CB MET A 535 72.934 -11.216 -2.069 1.00 0.00 C ATOM 242 CG MET A 535 73.241 -9.742 -2.349 1.00 0.00 C ATOM 243 SD MET A 535 73.842 -9.562 -4.047 1.00 0.00 S ATOM 244 CE MET A 535 72.326 -8.874 -4.762 1.00 0.00 C ATOM 0 H MET A 535 70.714 -10.564 -1.219 1.00 0.00 H new ATOM 0 HA MET A 535 71.649 -11.206 -3.799 1.00 0.00 H new ATOM 0 HB2 MET A 535 72.832 -11.380 -0.996 1.00 0.00 H new ATOM 0 HB3 MET A 535 73.758 -11.842 -2.410 1.00 0.00 H new ATOM 0 HG2 MET A 535 72.345 -9.139 -2.203 1.00 0.00 H new ATOM 0 HG3 MET A 535 73.989 -9.376 -1.646 1.00 0.00 H new ATOM 0 HE1 MET A 535 72.584 -8.162 -5.546 1.00 0.00 H new ATOM 0 HE2 MET A 535 71.726 -9.679 -5.186 1.00 0.00 H new ATOM 0 HE3 MET A 535 71.755 -8.366 -3.985 1.00 0.00 H new ATOM 254 N LYS A 536 70.884 -13.757 -1.907 1.00 0.00 N ATOM 255 CA LYS A 536 70.637 -15.196 -1.968 1.00 0.00 C ATOM 256 C LYS A 536 69.598 -15.524 -3.045 1.00 0.00 C ATOM 257 O LYS A 536 69.544 -16.652 -3.537 1.00 0.00 O ATOM 258 CB LYS A 536 70.158 -15.710 -0.608 1.00 0.00 C ATOM 259 CG LYS A 536 71.271 -15.529 0.426 1.00 0.00 C ATOM 260 CD LYS A 536 70.839 -16.150 1.756 1.00 0.00 C ATOM 261 CE LYS A 536 71.901 -15.869 2.821 1.00 0.00 C ATOM 262 NZ LYS A 536 71.797 -14.450 3.262 1.00 0.00 N ATOM 0 H LYS A 536 70.512 -13.294 -1.078 1.00 0.00 H new ATOM 0 HA LYS A 536 71.573 -15.691 -2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 536 69.265 -15.168 -0.296 1.00 0.00 H new ATOM 0 HB3 LYS A 536 69.882 -16.762 -0.681 1.00 0.00 H new ATOM 0 HG2 LYS A 536 72.189 -16.000 0.074 1.00 0.00 H new ATOM 0 HG3 LYS A 536 71.488 -14.469 0.561 1.00 0.00 H new ATOM 0 HD2 LYS A 536 69.879 -15.738 2.067 1.00 0.00 H new ATOM 0 HD3 LYS A 536 70.701 -17.225 1.640 1.00 0.00 H new ATOM 0 HE2 LYS A 536 71.764 -16.537 3.672 1.00 0.00 H new ATOM 0 HE3 LYS A 536 72.895 -16.064 2.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 536 72.357 -14.314 4.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 536 72.160 -13.826 2.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 536 70.801 -14.218 3.454 1.00 0.00 H new ATOM 276 N ASP A 537 68.777 -14.535 -3.402 1.00 0.00 N ATOM 277 CA ASP A 537 67.813 -14.699 -4.486 1.00 0.00 C ATOM 278 C ASP A 537 68.497 -14.468 -5.842 1.00 0.00 C ATOM 279 O ASP A 537 68.948 -13.355 -6.124 1.00 0.00 O ATOM 280 CB ASP A 537 66.664 -13.698 -4.308 1.00 0.00 C ATOM 281 CG ASP A 537 65.529 -13.978 -5.299 1.00 0.00 C ATOM 282 OD1 ASP A 537 65.722 -14.785 -6.196 1.00 0.00 O ATOM 283 OD2 ASP A 537 64.479 -13.377 -5.143 1.00 0.00 O ATOM 0 H ASP A 537 68.762 -13.617 -2.958 1.00 0.00 H new ATOM 0 HA ASP A 537 67.417 -15.714 -4.459 1.00 0.00 H new ATOM 0 HB2 ASP A 537 66.283 -13.755 -3.288 1.00 0.00 H new ATOM 0 HB3 ASP A 537 67.036 -12.684 -4.453 1.00 0.00 H new ATOM 288 N PRO A 538 68.580 -15.481 -6.688 1.00 0.00 N ATOM 289 CA PRO A 538 69.361 -15.386 -7.967 1.00 0.00 C ATOM 290 C PRO A 538 68.892 -14.237 -8.859 1.00 0.00 C ATOM 291 O PRO A 538 69.701 -13.585 -9.522 1.00 0.00 O ATOM 292 CB PRO A 538 69.130 -16.736 -8.662 1.00 0.00 C ATOM 293 CG PRO A 538 67.967 -17.364 -7.971 1.00 0.00 C ATOM 294 CD PRO A 538 67.953 -16.809 -6.553 1.00 0.00 C ATOM 0 HA PRO A 538 70.413 -15.181 -7.769 1.00 0.00 H new ATOM 0 HB2 PRO A 538 68.924 -16.598 -9.723 1.00 0.00 H new ATOM 0 HB3 PRO A 538 70.015 -17.368 -8.589 1.00 0.00 H new ATOM 0 HG2 PRO A 538 67.036 -17.130 -8.488 1.00 0.00 H new ATOM 0 HG3 PRO A 538 68.062 -18.450 -7.961 1.00 0.00 H new ATOM 0 HD2 PRO A 538 66.938 -16.734 -6.163 1.00 0.00 H new ATOM 0 HD3 PRO A 538 68.511 -17.447 -5.868 1.00 0.00 H new ATOM 302 N GLU A 539 67.589 -13.967 -8.841 1.00 0.00 N ATOM 303 CA GLU A 539 67.020 -12.940 -9.712 1.00 0.00 C ATOM 304 C GLU A 539 67.528 -11.555 -9.313 1.00 0.00 C ATOM 305 O GLU A 539 67.776 -10.705 -10.171 1.00 0.00 O ATOM 306 CB GLU A 539 65.491 -12.972 -9.640 1.00 0.00 C ATOM 307 CG GLU A 539 64.980 -14.293 -10.219 1.00 0.00 C ATOM 308 CD GLU A 539 63.455 -14.301 -10.232 1.00 0.00 C ATOM 309 OE1 GLU A 539 62.890 -13.873 -11.225 1.00 0.00 O ATOM 310 OE2 GLU A 539 62.876 -14.733 -9.250 1.00 0.00 O ATOM 0 H GLU A 539 66.913 -14.439 -8.240 1.00 0.00 H new ATOM 0 HA GLU A 539 67.334 -13.147 -10.735 1.00 0.00 H new ATOM 0 HB2 GLU A 539 65.163 -12.865 -8.606 1.00 0.00 H new ATOM 0 HB3 GLU A 539 65.073 -12.133 -10.196 1.00 0.00 H new ATOM 0 HG2 GLU A 539 65.361 -14.428 -11.231 1.00 0.00 H new ATOM 0 HG3 GLU A 539 65.351 -15.128 -9.625 1.00 0.00 H new ATOM 317 N VAL A 540 67.755 -11.358 -8.014 1.00 0.00 N ATOM 318 CA VAL A 540 68.278 -10.084 -7.520 1.00 0.00 C ATOM 319 C VAL A 540 69.697 -9.869 -8.043 1.00 0.00 C ATOM 320 O VAL A 540 70.037 -8.780 -8.498 1.00 0.00 O ATOM 321 CB VAL A 540 68.282 -10.069 -5.983 1.00 0.00 C ATOM 322 CG1 VAL A 540 68.737 -8.698 -5.467 1.00 0.00 C ATOM 323 CG2 VAL A 540 66.872 -10.361 -5.457 1.00 0.00 C ATOM 0 H VAL A 540 67.587 -12.057 -7.291 1.00 0.00 H new ATOM 0 HA VAL A 540 67.636 -9.279 -7.878 1.00 0.00 H new ATOM 0 HB VAL A 540 68.973 -10.834 -5.629 1.00 0.00 H new ATOM 0 HG11 VAL A 540 68.735 -8.701 -4.377 1.00 0.00 H new ATOM 0 HG12 VAL A 540 69.744 -8.489 -5.828 1.00 0.00 H new ATOM 0 HG13 VAL A 540 68.055 -7.928 -5.829 1.00 0.00 H new ATOM 0 HG21 VAL A 540 66.881 -10.349 -4.367 1.00 0.00 H new ATOM 0 HG22 VAL A 540 66.182 -9.600 -5.823 1.00 0.00 H new ATOM 0 HG23 VAL A 540 66.549 -11.342 -5.807 1.00 0.00 H new ATOM 333 N ALA A 541 70.512 -10.922 -7.992 1.00 0.00 N ATOM 334 CA ALA A 541 71.898 -10.837 -8.454 1.00 0.00 C ATOM 335 C ALA A 541 71.948 -10.386 -9.914 1.00 0.00 C ATOM 336 O ALA A 541 72.689 -9.468 -10.273 1.00 0.00 O ATOM 337 CB ALA A 541 72.573 -12.207 -8.314 1.00 0.00 C ATOM 0 H ALA A 541 70.239 -11.839 -7.638 1.00 0.00 H new ATOM 0 HA ALA A 541 72.427 -10.105 -7.843 1.00 0.00 H new ATOM 0 HB1 ALA A 541 73.605 -12.141 -8.659 1.00 0.00 H new ATOM 0 HB2 ALA A 541 72.559 -12.515 -7.268 1.00 0.00 H new ATOM 0 HB3 ALA A 541 72.036 -12.940 -8.915 1.00 0.00 H new ATOM 343 N ALA A 542 71.080 -10.978 -10.729 1.00 0.00 N ATOM 344 CA ALA A 542 71.078 -10.709 -12.170 1.00 0.00 C ATOM 345 C ALA A 542 70.822 -9.230 -12.463 1.00 0.00 C ATOM 346 O ALA A 542 71.498 -8.634 -13.303 1.00 0.00 O ATOM 347 CB ALA A 542 70.006 -11.557 -12.859 1.00 0.00 C ATOM 0 H ALA A 542 70.371 -11.644 -10.422 1.00 0.00 H new ATOM 0 HA ALA A 542 72.063 -10.970 -12.558 1.00 0.00 H new ATOM 0 HB1 ALA A 542 70.011 -11.351 -13.929 1.00 0.00 H new ATOM 0 HB2 ALA A 542 70.215 -12.614 -12.692 1.00 0.00 H new ATOM 0 HB3 ALA A 542 69.027 -11.311 -12.447 1.00 0.00 H new ATOM 353 N ILE A 543 69.849 -8.643 -11.769 1.00 0.00 N ATOM 354 CA ILE A 543 69.490 -7.240 -11.996 1.00 0.00 C ATOM 355 C ILE A 543 70.597 -6.311 -11.487 1.00 0.00 C ATOM 356 O ILE A 543 71.063 -5.430 -12.211 1.00 0.00 O ATOM 357 CB ILE A 543 68.175 -6.906 -11.276 1.00 0.00 C ATOM 358 CG1 ILE A 543 67.089 -7.917 -11.668 1.00 0.00 C ATOM 359 CG2 ILE A 543 67.713 -5.502 -11.681 1.00 0.00 C ATOM 360 CD1 ILE A 543 65.869 -7.732 -10.763 1.00 0.00 C ATOM 0 H ILE A 543 69.297 -9.111 -11.050 1.00 0.00 H new ATOM 0 HA ILE A 543 69.365 -7.090 -13.068 1.00 0.00 H new ATOM 0 HB ILE A 543 68.342 -6.949 -10.200 1.00 0.00 H new ATOM 0 HG12 ILE A 543 66.806 -7.777 -12.711 1.00 0.00 H new ATOM 0 HG13 ILE A 543 67.473 -8.933 -11.576 1.00 0.00 H new ATOM 0 HG21 ILE A 543 66.780 -5.265 -11.170 1.00 0.00 H new ATOM 0 HG22 ILE A 543 68.475 -4.774 -11.402 1.00 0.00 H new ATOM 0 HG23 ILE A 543 67.556 -5.468 -12.759 1.00 0.00 H new ATOM 0 HD11 ILE A 543 65.097 -8.450 -11.041 1.00 0.00 H new ATOM 0 HD12 ILE A 543 66.158 -7.894 -9.725 1.00 0.00 H new ATOM 0 HD13 ILE A 543 65.481 -6.720 -10.878 1.00 0.00 H new ATOM 372 N MET A 544 71.008 -6.522 -10.237 1.00 0.00 N ATOM 373 CA MET A 544 71.994 -5.650 -9.591 1.00 0.00 C ATOM 374 C MET A 544 73.364 -5.720 -10.276 1.00 0.00 C ATOM 375 O MET A 544 74.237 -4.893 -10.003 1.00 0.00 O ATOM 376 CB MET A 544 72.140 -6.038 -8.121 1.00 0.00 C ATOM 377 CG MET A 544 70.793 -5.856 -7.418 1.00 0.00 C ATOM 378 SD MET A 544 71.012 -6.022 -5.629 1.00 0.00 S ATOM 379 CE MET A 544 70.822 -4.271 -5.217 1.00 0.00 C ATOM 0 H MET A 544 70.675 -7.287 -9.651 1.00 0.00 H new ATOM 0 HA MET A 544 71.631 -4.626 -9.677 1.00 0.00 H new ATOM 0 HB2 MET A 544 72.471 -7.073 -8.037 1.00 0.00 H new ATOM 0 HB3 MET A 544 72.900 -5.420 -7.643 1.00 0.00 H new ATOM 0 HG2 MET A 544 70.378 -4.876 -7.654 1.00 0.00 H new ATOM 0 HG3 MET A 544 70.081 -6.599 -7.778 1.00 0.00 H new ATOM 0 HE1 MET A 544 70.798 -4.153 -4.134 1.00 0.00 H new ATOM 0 HE2 MET A 544 71.661 -3.708 -5.625 1.00 0.00 H new ATOM 0 HE3 MET A 544 69.892 -3.896 -5.644 1.00 0.00 H new ATOM 389 N GLN A 545 73.551 -6.704 -11.159 1.00 0.00 N ATOM 390 CA GLN A 545 74.774 -6.786 -11.957 1.00 0.00 C ATOM 391 C GLN A 545 74.815 -5.733 -13.075 1.00 0.00 C ATOM 392 O GLN A 545 75.654 -5.826 -13.970 1.00 0.00 O ATOM 393 CB GLN A 545 74.908 -8.181 -12.565 1.00 0.00 C ATOM 394 CG GLN A 545 75.556 -9.123 -11.549 1.00 0.00 C ATOM 395 CD GLN A 545 75.720 -10.513 -12.155 1.00 0.00 C ATOM 396 OE1 GLN A 545 76.021 -10.643 -13.342 1.00 0.00 O ATOM 397 NE2 GLN A 545 75.540 -11.566 -11.406 1.00 0.00 N ATOM 0 H GLN A 545 72.877 -7.448 -11.338 1.00 0.00 H new ATOM 0 HA GLN A 545 75.609 -6.587 -11.286 1.00 0.00 H new ATOM 0 HB2 GLN A 545 73.927 -8.559 -12.853 1.00 0.00 H new ATOM 0 HB3 GLN A 545 75.511 -8.137 -13.472 1.00 0.00 H new ATOM 0 HG2 GLN A 545 76.528 -8.732 -11.247 1.00 0.00 H new ATOM 0 HG3 GLN A 545 74.942 -9.180 -10.650 1.00 0.00 H new ATOM 0 HE21 GLN A 545 75.291 -11.456 -10.423 1.00 0.00 H new ATOM 0 HE22 GLN A 545 75.649 -12.499 -11.803 1.00 0.00 H new ATOM 406 N ASP A 546 73.873 -4.774 -13.042 1.00 0.00 N ATOM 407 CA ASP A 546 73.993 -3.471 -13.743 1.00 0.00 C ATOM 408 C ASP A 546 73.017 -3.360 -14.918 1.00 0.00 C ATOM 409 O ASP A 546 72.025 -2.637 -14.833 1.00 0.00 O ATOM 410 CB ASP A 546 75.421 -3.190 -14.252 1.00 0.00 C ATOM 411 CG ASP A 546 75.673 -1.683 -14.362 1.00 0.00 C ATOM 412 OD1 ASP A 546 74.726 -0.920 -14.236 1.00 0.00 O ATOM 413 OD2 ASP A 546 76.818 -1.314 -14.572 1.00 0.00 O ATOM 0 H ASP A 546 72.999 -4.876 -12.526 1.00 0.00 H new ATOM 0 HA ASP A 546 73.743 -2.722 -12.992 1.00 0.00 H new ATOM 0 HB2 ASP A 546 76.148 -3.636 -13.573 1.00 0.00 H new ATOM 0 HB3 ASP A 546 75.564 -3.659 -15.225 1.00 0.00 H new ATOM 418 N PRO A 547 73.271 -4.064 -15.997 1.00 0.00 N ATOM 419 CA PRO A 547 72.895 -3.584 -17.370 1.00 0.00 C ATOM 420 C PRO A 547 71.428 -3.166 -17.492 1.00 0.00 C ATOM 421 O PRO A 547 71.126 -2.084 -18.001 1.00 0.00 O ATOM 422 CB PRO A 547 73.201 -4.780 -18.286 1.00 0.00 C ATOM 423 CG PRO A 547 73.313 -5.960 -17.381 1.00 0.00 C ATOM 424 CD PRO A 547 73.826 -5.425 -16.051 1.00 0.00 C ATOM 0 HA PRO A 547 73.451 -2.684 -17.630 1.00 0.00 H new ATOM 0 HB2 PRO A 547 72.409 -4.924 -19.021 1.00 0.00 H new ATOM 0 HB3 PRO A 547 74.126 -4.622 -18.841 1.00 0.00 H new ATOM 0 HG2 PRO A 547 72.347 -6.450 -17.258 1.00 0.00 H new ATOM 0 HG3 PRO A 547 73.997 -6.703 -17.792 1.00 0.00 H new ATOM 0 HD2 PRO A 547 73.483 -6.033 -15.214 1.00 0.00 H new ATOM 0 HD3 PRO A 547 74.915 -5.417 -16.014 1.00 0.00 H new ATOM 432 N VAL A 548 70.522 -3.996 -16.976 1.00 0.00 N ATOM 433 CA VAL A 548 69.091 -3.777 -17.188 1.00 0.00 C ATOM 434 C VAL A 548 68.639 -2.470 -16.534 1.00 0.00 C ATOM 435 O VAL A 548 68.033 -1.617 -17.186 1.00 0.00 O ATOM 436 CB VAL A 548 68.290 -4.956 -16.611 1.00 0.00 C ATOM 437 CG1 VAL A 548 66.793 -4.755 -16.866 1.00 0.00 C ATOM 438 CG2 VAL A 548 68.745 -6.257 -17.282 1.00 0.00 C ATOM 0 H VAL A 548 70.749 -4.817 -16.415 1.00 0.00 H new ATOM 0 HA VAL A 548 68.908 -3.707 -18.260 1.00 0.00 H new ATOM 0 HB VAL A 548 68.465 -5.010 -15.537 1.00 0.00 H new ATOM 0 HG11 VAL A 548 66.237 -5.597 -16.453 1.00 0.00 H new ATOM 0 HG12 VAL A 548 66.463 -3.833 -16.388 1.00 0.00 H new ATOM 0 HG13 VAL A 548 66.612 -4.693 -17.939 1.00 0.00 H new ATOM 0 HG21 VAL A 548 68.178 -7.094 -16.874 1.00 0.00 H new ATOM 0 HG22 VAL A 548 68.573 -6.192 -18.356 1.00 0.00 H new ATOM 0 HG23 VAL A 548 69.807 -6.412 -17.093 1.00 0.00 H new ATOM 448 N MET A 549 68.956 -2.308 -15.252 1.00 0.00 N ATOM 449 CA MET A 549 68.453 -1.165 -14.500 1.00 0.00 C ATOM 450 C MET A 549 69.073 0.138 -14.991 1.00 0.00 C ATOM 451 O MET A 549 68.415 1.176 -14.978 1.00 0.00 O ATOM 452 CB MET A 549 68.712 -1.339 -13.002 1.00 0.00 C ATOM 453 CG MET A 549 67.588 -2.176 -12.393 1.00 0.00 C ATOM 454 SD MET A 549 67.713 -2.142 -10.588 1.00 0.00 S ATOM 455 CE MET A 549 65.976 -1.757 -10.242 1.00 0.00 C ATOM 0 H MET A 549 69.550 -2.944 -14.720 1.00 0.00 H new ATOM 0 HA MET A 549 67.377 -1.115 -14.665 1.00 0.00 H new ATOM 0 HB2 MET A 549 69.673 -1.827 -12.841 1.00 0.00 H new ATOM 0 HB3 MET A 549 68.763 -0.366 -12.514 1.00 0.00 H new ATOM 0 HG2 MET A 549 66.620 -1.787 -12.708 1.00 0.00 H new ATOM 0 HG3 MET A 549 67.650 -3.203 -12.752 1.00 0.00 H new ATOM 0 HE1 MET A 549 65.918 -1.041 -9.422 1.00 0.00 H new ATOM 0 HE2 MET A 549 65.514 -1.328 -11.131 1.00 0.00 H new ATOM 0 HE3 MET A 549 65.449 -2.670 -9.964 1.00 0.00 H new ATOM 465 N GLN A 550 70.329 0.086 -15.445 1.00 0.00 N ATOM 466 CA GLN A 550 70.984 1.282 -15.981 1.00 0.00 C ATOM 467 C GLN A 550 70.205 1.834 -17.176 1.00 0.00 C ATOM 468 O GLN A 550 69.933 3.032 -17.251 1.00 0.00 O ATOM 469 CB GLN A 550 72.414 0.946 -16.415 1.00 0.00 C ATOM 470 CG GLN A 550 73.193 2.239 -16.665 1.00 0.00 C ATOM 471 CD GLN A 550 74.574 1.916 -17.227 1.00 0.00 C ATOM 472 OE1 GLN A 550 74.686 1.299 -18.286 1.00 0.00 O ATOM 473 NE2 GLN A 550 75.638 2.300 -16.576 1.00 0.00 N ATOM 0 H GLN A 550 70.904 -0.756 -15.453 1.00 0.00 H new ATOM 0 HA GLN A 550 71.010 2.039 -15.197 1.00 0.00 H new ATOM 0 HB2 GLN A 550 72.909 0.355 -15.645 1.00 0.00 H new ATOM 0 HB3 GLN A 550 72.397 0.339 -17.320 1.00 0.00 H new ATOM 0 HG2 GLN A 550 72.647 2.873 -17.363 1.00 0.00 H new ATOM 0 HG3 GLN A 550 73.292 2.799 -15.735 1.00 0.00 H new ATOM 0 HE21 GLN A 550 75.542 2.811 -15.699 1.00 0.00 H new ATOM 0 HE22 GLN A 550 76.565 2.089 -16.945 1.00 0.00 H new ATOM 482 N SER A 551 69.820 0.939 -18.088 1.00 0.00 N ATOM 483 CA SER A 551 69.056 1.335 -19.272 1.00 0.00 C ATOM 484 C SER A 551 67.728 1.996 -18.891 1.00 0.00 C ATOM 485 O SER A 551 67.405 3.071 -19.396 1.00 0.00 O ATOM 486 CB SER A 551 68.787 0.118 -20.158 1.00 0.00 C ATOM 487 OG SER A 551 68.225 0.548 -21.391 1.00 0.00 O ATOM 0 H SER A 551 70.023 -0.059 -18.030 1.00 0.00 H new ATOM 0 HA SER A 551 69.654 2.063 -19.821 1.00 0.00 H new ATOM 0 HB2 SER A 551 69.714 -0.427 -20.338 1.00 0.00 H new ATOM 0 HB3 SER A 551 68.106 -0.569 -19.655 1.00 0.00 H new ATOM 0 HG SER A 551 68.053 -0.230 -21.961 1.00 0.00 H new ATOM 493 N ILE A 552 66.982 1.378 -17.972 1.00 0.00 N ATOM 494 CA ILE A 552 65.665 1.902 -17.588 1.00 0.00 C ATOM 495 C ILE A 552 65.795 3.299 -16.976 1.00 0.00 C ATOM 496 O ILE A 552 65.071 4.219 -17.353 1.00 0.00 O ATOM 497 CB ILE A 552 64.982 0.956 -16.579 1.00 0.00 C ATOM 498 CG1 ILE A 552 64.926 -0.467 -17.162 1.00 0.00 C ATOM 499 CG2 ILE A 552 63.551 1.448 -16.282 1.00 0.00 C ATOM 500 CD1 ILE A 552 64.416 -1.445 -16.099 1.00 0.00 C ATOM 0 H ILE A 552 67.260 0.526 -17.485 1.00 0.00 H new ATOM 0 HA ILE A 552 65.053 1.967 -18.488 1.00 0.00 H new ATOM 0 HB ILE A 552 65.557 0.948 -15.653 1.00 0.00 H new ATOM 0 HG12 ILE A 552 64.270 -0.487 -18.032 1.00 0.00 H new ATOM 0 HG13 ILE A 552 65.916 -0.770 -17.502 1.00 0.00 H new ATOM 0 HG21 ILE A 552 63.075 0.775 -15.569 1.00 0.00 H new ATOM 0 HG22 ILE A 552 63.592 2.453 -15.861 1.00 0.00 H new ATOM 0 HG23 ILE A 552 62.973 1.465 -17.206 1.00 0.00 H new ATOM 0 HD11 ILE A 552 64.379 -2.451 -16.518 1.00 0.00 H new ATOM 0 HD12 ILE A 552 65.089 -1.434 -15.242 1.00 0.00 H new ATOM 0 HD13 ILE A 552 63.417 -1.147 -15.780 1.00 0.00 H new ATOM 512 N LEU A 553 66.738 3.453 -16.048 1.00 0.00 N ATOM 513 CA LEU A 553 66.915 4.724 -15.337 1.00 0.00 C ATOM 514 C LEU A 553 67.203 5.869 -16.307 1.00 0.00 C ATOM 515 O LEU A 553 66.508 6.889 -16.302 1.00 0.00 O ATOM 516 CB LEU A 553 68.063 4.607 -14.331 1.00 0.00 C ATOM 517 CG LEU A 553 67.681 3.622 -13.223 1.00 0.00 C ATOM 518 CD1 LEU A 553 68.911 3.318 -12.365 1.00 0.00 C ATOM 519 CD2 LEU A 553 66.591 4.239 -12.343 1.00 0.00 C ATOM 0 H LEU A 553 67.390 2.719 -15.770 1.00 0.00 H new ATOM 0 HA LEU A 553 65.986 4.944 -14.812 1.00 0.00 H new ATOM 0 HB2 LEU A 553 68.968 4.268 -14.835 1.00 0.00 H new ATOM 0 HB3 LEU A 553 68.284 5.584 -13.902 1.00 0.00 H new ATOM 0 HG LEU A 553 67.310 2.700 -13.671 1.00 0.00 H new ATOM 0 HD11 LEU A 553 68.640 2.617 -11.576 1.00 0.00 H new ATOM 0 HD12 LEU A 553 69.690 2.879 -12.988 1.00 0.00 H new ATOM 0 HD13 LEU A 553 69.281 4.241 -11.919 1.00 0.00 H new ATOM 0 HD21 LEU A 553 66.319 3.537 -11.554 1.00 0.00 H new ATOM 0 HD22 LEU A 553 66.963 5.161 -11.896 1.00 0.00 H new ATOM 0 HD23 LEU A 553 65.713 4.459 -12.951 1.00 0.00 H new ATOM 531 N GLN A 554 68.195 5.677 -17.179 1.00 0.00 N ATOM 532 CA GLN A 554 68.566 6.713 -18.146 1.00 0.00 C ATOM 533 C GLN A 554 67.361 7.112 -18.998 1.00 0.00 C ATOM 534 O GLN A 554 66.969 8.279 -19.027 1.00 0.00 O ATOM 535 CB GLN A 554 69.691 6.205 -19.053 1.00 0.00 C ATOM 536 CG GLN A 554 70.288 7.376 -19.837 1.00 0.00 C ATOM 537 CD GLN A 554 71.415 6.883 -20.741 1.00 0.00 C ATOM 538 OE1 GLN A 554 72.135 5.949 -20.387 1.00 0.00 O ATOM 539 NE2 GLN A 554 71.610 7.459 -21.896 1.00 0.00 N ATOM 0 H GLN A 554 68.751 4.824 -17.236 1.00 0.00 H new ATOM 0 HA GLN A 554 68.911 7.588 -17.596 1.00 0.00 H new ATOM 0 HB2 GLN A 554 70.464 5.723 -18.455 1.00 0.00 H new ATOM 0 HB3 GLN A 554 69.305 5.453 -19.741 1.00 0.00 H new ATOM 0 HG2 GLN A 554 69.514 7.855 -20.437 1.00 0.00 H new ATOM 0 HG3 GLN A 554 70.668 8.129 -19.147 1.00 0.00 H new ATOM 0 HE21 GLN A 554 71.012 8.233 -22.187 1.00 0.00 H new ATOM 0 HE22 GLN A 554 72.360 7.136 -22.507 1.00 0.00 H new ATOM 548 N GLN A 555 66.688 6.113 -19.568 1.00 0.00 N ATOM 549 CA GLN A 555 65.573 6.366 -20.479 1.00 0.00 C ATOM 550 C GLN A 555 64.450 7.136 -19.782 1.00 0.00 C ATOM 551 O GLN A 555 63.835 8.021 -20.379 1.00 0.00 O ATOM 552 CB GLN A 555 65.030 5.039 -21.012 1.00 0.00 C ATOM 553 CG GLN A 555 66.037 4.436 -21.994 1.00 0.00 C ATOM 554 CD GLN A 555 65.494 3.133 -22.571 1.00 0.00 C ATOM 555 OE1 GLN A 555 64.804 2.384 -21.878 1.00 0.00 O ATOM 556 NE2 GLN A 555 65.765 2.814 -23.807 1.00 0.00 N ATOM 0 H GLN A 555 66.894 5.126 -19.416 1.00 0.00 H new ATOM 0 HA GLN A 555 65.942 6.974 -21.305 1.00 0.00 H new ATOM 0 HB2 GLN A 555 64.851 4.349 -20.187 1.00 0.00 H new ATOM 0 HB3 GLN A 555 64.072 5.198 -21.508 1.00 0.00 H new ATOM 0 HG2 GLN A 555 66.239 5.143 -22.799 1.00 0.00 H new ATOM 0 HG3 GLN A 555 66.984 4.251 -21.487 1.00 0.00 H new ATOM 0 HE21 GLN A 555 66.336 3.435 -24.380 1.00 0.00 H new ATOM 0 HE22 GLN A 555 65.405 1.944 -24.200 1.00 0.00 H new ATOM 565 N ALA A 556 64.187 6.794 -18.520 1.00 0.00 N ATOM 566 CA ALA A 556 63.119 7.443 -17.757 1.00 0.00 C ATOM 567 C ALA A 556 63.400 8.930 -17.558 1.00 0.00 C ATOM 568 O ALA A 556 62.471 9.739 -17.528 1.00 0.00 O ATOM 569 CB ALA A 556 62.964 6.768 -16.392 1.00 0.00 C ATOM 0 H ALA A 556 64.696 6.075 -18.006 1.00 0.00 H new ATOM 0 HA ALA A 556 62.195 7.341 -18.327 1.00 0.00 H new ATOM 0 HB1 ALA A 556 62.167 7.258 -15.832 1.00 0.00 H new ATOM 0 HB2 ALA A 556 62.715 5.716 -16.532 1.00 0.00 H new ATOM 0 HB3 ALA A 556 63.899 6.849 -15.838 1.00 0.00 H new ATOM 575 N GLN A 557 64.678 9.289 -17.421 1.00 0.00 N ATOM 576 CA GLN A 557 65.051 10.691 -17.248 1.00 0.00 C ATOM 577 C GLN A 557 64.738 11.476 -18.517 1.00 0.00 C ATOM 578 O GLN A 557 64.220 12.593 -18.462 1.00 0.00 O ATOM 579 CB GLN A 557 66.547 10.801 -16.938 1.00 0.00 C ATOM 580 CG GLN A 557 66.853 10.075 -15.626 1.00 0.00 C ATOM 581 CD GLN A 557 66.293 10.864 -14.447 1.00 0.00 C ATOM 582 OE1 GLN A 557 65.084 10.858 -14.214 1.00 0.00 O ATOM 583 NE2 GLN A 557 67.104 11.547 -13.686 1.00 0.00 N ATOM 0 H GLN A 557 65.462 8.636 -17.426 1.00 0.00 H new ATOM 0 HA GLN A 557 64.478 11.105 -16.418 1.00 0.00 H new ATOM 0 HB2 GLN A 557 67.130 10.367 -17.750 1.00 0.00 H new ATOM 0 HB3 GLN A 557 66.837 11.849 -16.862 1.00 0.00 H new ATOM 0 HG2 GLN A 557 66.418 9.076 -15.644 1.00 0.00 H new ATOM 0 HG3 GLN A 557 67.930 9.952 -15.512 1.00 0.00 H new ATOM 0 HE21 GLN A 557 68.105 11.550 -13.881 1.00 0.00 H new ATOM 0 HE22 GLN A 557 66.737 12.077 -12.896 1.00 0.00 H new ATOM 592 N GLN A 558 65.064 10.875 -19.660 1.00 0.00 N ATOM 593 CA GLN A 558 64.725 11.459 -20.955 1.00 0.00 C ATOM 594 C GLN A 558 63.224 11.349 -21.236 1.00 0.00 C ATOM 595 O GLN A 558 62.667 12.165 -21.972 1.00 0.00 O ATOM 596 CB GLN A 558 65.505 10.752 -22.067 1.00 0.00 C ATOM 597 CG GLN A 558 67.004 10.987 -21.868 1.00 0.00 C ATOM 598 CD GLN A 558 67.788 10.349 -23.009 1.00 0.00 C ATOM 599 OE1 GLN A 558 67.336 10.353 -24.155 1.00 0.00 O ATOM 600 NE2 GLN A 558 68.946 9.797 -22.764 1.00 0.00 N ATOM 0 H GLN A 558 65.561 9.986 -19.715 1.00 0.00 H new ATOM 0 HA GLN A 558 64.995 12.515 -20.929 1.00 0.00 H new ATOM 0 HB2 GLN A 558 65.289 9.684 -22.055 1.00 0.00 H new ATOM 0 HB3 GLN A 558 65.193 11.129 -23.041 1.00 0.00 H new ATOM 0 HG2 GLN A 558 67.211 12.056 -21.827 1.00 0.00 H new ATOM 0 HG3 GLN A 558 67.323 10.564 -20.915 1.00 0.00 H new ATOM 0 HE21 GLN A 558 69.319 9.794 -21.815 1.00 0.00 H new ATOM 0 HE22 GLN A 558 69.477 9.369 -23.522 1.00 0.00 H new ATOM 609 N ASN A 559 62.572 10.341 -20.648 1.00 0.00 N ATOM 610 CA ASN A 559 61.160 10.088 -20.918 1.00 0.00 C ATOM 611 C ASN A 559 60.548 9.222 -19.807 1.00 0.00 C ATOM 612 O ASN A 559 60.647 7.994 -19.855 1.00 0.00 O ATOM 613 CB ASN A 559 61.012 9.375 -22.264 1.00 0.00 C ATOM 614 CG ASN A 559 59.627 9.637 -22.846 1.00 0.00 C ATOM 615 OD1 ASN A 559 58.888 8.697 -23.141 1.00 0.00 O ATOM 616 ND2 ASN A 559 59.228 10.866 -23.030 1.00 0.00 N ATOM 0 H ASN A 559 62.999 9.693 -19.987 1.00 0.00 H new ATOM 0 HA ASN A 559 60.634 11.042 -20.950 1.00 0.00 H new ATOM 0 HB2 ASN A 559 61.778 9.725 -22.956 1.00 0.00 H new ATOM 0 HB3 ASN A 559 61.164 8.303 -22.135 1.00 0.00 H new ATOM 0 HD21 ASN A 559 58.303 11.049 -23.419 1.00 0.00 H new ATOM 0 HD22 ASN A 559 59.841 11.643 -22.785 1.00 0.00 H new ATOM 623 N PRO A 560 59.908 9.826 -18.824 1.00 0.00 N ATOM 624 CA PRO A 560 59.440 9.079 -17.607 1.00 0.00 C ATOM 625 C PRO A 560 58.493 7.923 -17.948 1.00 0.00 C ATOM 626 O PRO A 560 58.308 7.010 -17.142 1.00 0.00 O ATOM 627 CB PRO A 560 58.724 10.142 -16.759 1.00 0.00 C ATOM 628 CG PRO A 560 58.404 11.255 -17.697 1.00 0.00 C ATOM 629 CD PRO A 560 59.492 11.242 -18.763 1.00 0.00 C ATOM 0 HA PRO A 560 60.275 8.609 -17.087 1.00 0.00 H new ATOM 0 HB2 PRO A 560 57.818 9.738 -16.307 1.00 0.00 H new ATOM 0 HB3 PRO A 560 59.360 10.487 -15.944 1.00 0.00 H new ATOM 0 HG2 PRO A 560 57.420 11.116 -18.144 1.00 0.00 H new ATOM 0 HG3 PRO A 560 58.384 12.211 -17.174 1.00 0.00 H new ATOM 0 HD2 PRO A 560 59.114 11.590 -19.724 1.00 0.00 H new ATOM 0 HD3 PRO A 560 60.324 11.892 -18.493 1.00 0.00 H new ATOM 637 N ALA A 561 57.882 7.977 -19.131 1.00 0.00 N ATOM 638 CA ALA A 561 56.983 6.910 -19.572 1.00 0.00 C ATOM 639 C ALA A 561 57.746 5.601 -19.798 1.00 0.00 C ATOM 640 O ALA A 561 57.177 4.515 -19.662 1.00 0.00 O ATOM 641 CB ALA A 561 56.271 7.320 -20.863 1.00 0.00 C ATOM 0 H ALA A 561 57.991 8.742 -19.797 1.00 0.00 H new ATOM 0 HA ALA A 561 56.246 6.747 -18.786 1.00 0.00 H new ATOM 0 HB1 ALA A 561 55.605 6.518 -21.182 1.00 0.00 H new ATOM 0 HB2 ALA A 561 55.691 8.226 -20.687 1.00 0.00 H new ATOM 0 HB3 ALA A 561 57.010 7.509 -21.642 1.00 0.00 H new ATOM 647 N ALA A 562 59.034 5.704 -20.136 1.00 0.00 N ATOM 648 CA ALA A 562 59.854 4.517 -20.409 1.00 0.00 C ATOM 649 C ALA A 562 59.810 3.511 -19.255 1.00 0.00 C ATOM 650 O ALA A 562 59.600 2.316 -19.476 1.00 0.00 O ATOM 651 CB ALA A 562 61.305 4.934 -20.659 1.00 0.00 C ATOM 0 H ALA A 562 59.531 6.590 -20.227 1.00 0.00 H new ATOM 0 HA ALA A 562 59.442 4.033 -21.295 1.00 0.00 H new ATOM 0 HB1 ALA A 562 61.908 4.049 -20.861 1.00 0.00 H new ATOM 0 HB2 ALA A 562 61.348 5.606 -21.516 1.00 0.00 H new ATOM 0 HB3 ALA A 562 61.694 5.445 -19.778 1.00 0.00 H new ATOM 657 N LEU A 563 59.966 3.992 -18.024 1.00 0.00 N ATOM 658 CA LEU A 563 60.032 3.076 -16.882 1.00 0.00 C ATOM 659 C LEU A 563 58.671 2.425 -16.626 1.00 0.00 C ATOM 660 O LEU A 563 58.596 1.288 -16.158 1.00 0.00 O ATOM 661 CB LEU A 563 60.561 3.771 -15.606 1.00 0.00 C ATOM 662 CG LEU A 563 59.903 5.138 -15.349 1.00 0.00 C ATOM 663 CD1 LEU A 563 58.435 4.966 -14.930 1.00 0.00 C ATOM 664 CD2 LEU A 563 60.678 5.844 -14.230 1.00 0.00 C ATOM 0 H LEU A 563 60.047 4.982 -17.792 1.00 0.00 H new ATOM 0 HA LEU A 563 60.746 2.294 -17.139 1.00 0.00 H new ATOM 0 HB2 LEU A 563 60.387 3.123 -14.747 1.00 0.00 H new ATOM 0 HB3 LEU A 563 61.640 3.903 -15.692 1.00 0.00 H new ATOM 0 HG LEU A 563 59.928 5.729 -16.264 1.00 0.00 H new ATOM 0 HD11 LEU A 563 57.990 5.945 -14.754 1.00 0.00 H new ATOM 0 HD12 LEU A 563 57.888 4.456 -15.723 1.00 0.00 H new ATOM 0 HD13 LEU A 563 58.384 4.374 -14.016 1.00 0.00 H new ATOM 0 HD21 LEU A 563 60.227 6.816 -14.032 1.00 0.00 H new ATOM 0 HD22 LEU A 563 60.644 5.237 -13.325 1.00 0.00 H new ATOM 0 HD23 LEU A 563 61.715 5.981 -14.536 1.00 0.00 H new ATOM 676 N GLN A 564 57.592 3.136 -16.977 1.00 0.00 N ATOM 677 CA GLN A 564 56.242 2.599 -16.797 1.00 0.00 C ATOM 678 C GLN A 564 56.037 1.352 -17.655 1.00 0.00 C ATOM 679 O GLN A 564 55.783 0.267 -17.129 1.00 0.00 O ATOM 680 CB GLN A 564 55.205 3.659 -17.184 1.00 0.00 C ATOM 681 CG GLN A 564 53.820 3.227 -16.698 1.00 0.00 C ATOM 682 CD GLN A 564 52.763 4.207 -17.196 1.00 0.00 C ATOM 683 OE1 GLN A 564 52.610 4.397 -18.402 1.00 0.00 O ATOM 684 NE2 GLN A 564 52.021 4.846 -16.333 1.00 0.00 N ATOM 0 H GLN A 564 57.628 4.072 -17.382 1.00 0.00 H new ATOM 0 HA GLN A 564 56.118 2.328 -15.749 1.00 0.00 H new ATOM 0 HB2 GLN A 564 55.472 4.620 -16.745 1.00 0.00 H new ATOM 0 HB3 GLN A 564 55.196 3.795 -18.265 1.00 0.00 H new ATOM 0 HG2 GLN A 564 53.596 2.223 -17.059 1.00 0.00 H new ATOM 0 HG3 GLN A 564 53.804 3.185 -15.609 1.00 0.00 H new ATOM 0 HE21 GLN A 564 52.149 4.687 -15.334 1.00 0.00 H new ATOM 0 HE22 GLN A 564 51.313 5.504 -16.658 1.00 0.00 H new ATOM 693 N GLU A 565 56.312 1.474 -18.954 1.00 0.00 N ATOM 694 CA GLU A 565 56.145 0.347 -19.878 1.00 0.00 C ATOM 695 C GLU A 565 57.057 -0.822 -19.493 1.00 0.00 C ATOM 696 O GLU A 565 56.746 -1.979 -19.777 1.00 0.00 O ATOM 697 CB GLU A 565 56.434 0.790 -21.317 1.00 0.00 C ATOM 698 CG GLU A 565 57.850 1.364 -21.421 1.00 0.00 C ATOM 699 CD GLU A 565 58.254 1.492 -22.885 1.00 0.00 C ATOM 700 OE1 GLU A 565 57.542 2.156 -23.620 1.00 0.00 O ATOM 701 OE2 GLU A 565 59.271 0.925 -23.250 1.00 0.00 O ATOM 0 H GLU A 565 56.649 2.333 -19.389 1.00 0.00 H new ATOM 0 HA GLU A 565 55.111 0.008 -19.812 1.00 0.00 H new ATOM 0 HB2 GLU A 565 56.327 -0.057 -21.994 1.00 0.00 H new ATOM 0 HB3 GLU A 565 55.706 1.540 -21.627 1.00 0.00 H new ATOM 0 HG2 GLU A 565 57.892 2.340 -20.937 1.00 0.00 H new ATOM 0 HG3 GLU A 565 58.553 0.717 -20.896 1.00 0.00 H new ATOM 708 N HIS A 566 58.184 -0.505 -18.856 1.00 0.00 N ATOM 709 CA HIS A 566 59.095 -1.538 -18.359 1.00 0.00 C ATOM 710 C HIS A 566 58.420 -2.394 -17.286 1.00 0.00 C ATOM 711 O HIS A 566 58.494 -3.622 -17.333 1.00 0.00 O ATOM 712 CB HIS A 566 60.363 -0.897 -17.794 1.00 0.00 C ATOM 713 CG HIS A 566 61.421 -0.672 -18.841 1.00 0.00 C ATOM 714 ND1 HIS A 566 62.090 0.534 -18.971 1.00 0.00 N ATOM 715 CD2 HIS A 566 61.925 -1.487 -19.824 1.00 0.00 C ATOM 716 CE1 HIS A 566 62.951 0.413 -19.997 1.00 0.00 C ATOM 717 NE2 HIS A 566 62.892 -0.801 -20.553 1.00 0.00 N ATOM 0 H HIS A 566 58.487 0.451 -18.672 1.00 0.00 H new ATOM 0 HA HIS A 566 59.363 -2.184 -19.195 1.00 0.00 H new ATOM 0 HB2 HIS A 566 60.107 0.057 -17.332 1.00 0.00 H new ATOM 0 HB3 HIS A 566 60.767 -1.534 -17.007 1.00 0.00 H new ATOM 0 HD2 HIS A 566 61.618 -2.506 -20.004 1.00 0.00 H new ATOM 0 HE1 HIS A 566 63.610 1.201 -20.331 1.00 0.00 H new ATOM 0 HE2 HIS A 566 63.438 -1.149 -21.341 1.00 0.00 H new ATOM 725 N MET A 567 57.719 -1.750 -16.352 1.00 0.00 N ATOM 726 CA MET A 567 57.002 -2.483 -15.308 1.00 0.00 C ATOM 727 C MET A 567 55.913 -3.363 -15.927 1.00 0.00 C ATOM 728 O MET A 567 55.649 -4.464 -15.447 1.00 0.00 O ATOM 729 CB MET A 567 56.368 -1.502 -14.317 1.00 0.00 C ATOM 730 CG MET A 567 55.893 -2.260 -13.076 1.00 0.00 C ATOM 731 SD MET A 567 55.023 -1.122 -11.968 1.00 0.00 S ATOM 732 CE MET A 567 56.461 -0.140 -11.478 1.00 0.00 C ATOM 0 H MET A 567 57.633 -0.735 -16.296 1.00 0.00 H new ATOM 0 HA MET A 567 57.714 -3.118 -14.780 1.00 0.00 H new ATOM 0 HB2 MET A 567 57.091 -0.737 -14.034 1.00 0.00 H new ATOM 0 HB3 MET A 567 55.528 -0.988 -14.785 1.00 0.00 H new ATOM 0 HG2 MET A 567 55.233 -3.077 -13.367 1.00 0.00 H new ATOM 0 HG3 MET A 567 56.744 -2.706 -12.561 1.00 0.00 H new ATOM 0 HE1 MET A 567 56.270 0.328 -10.512 1.00 0.00 H new ATOM 0 HE2 MET A 567 57.335 -0.787 -11.401 1.00 0.00 H new ATOM 0 HE3 MET A 567 56.646 0.632 -12.225 1.00 0.00 H new ATOM 742 N LYS A 568 55.294 -2.871 -16.998 1.00 0.00 N ATOM 743 CA LYS A 568 54.296 -3.652 -17.725 1.00 0.00 C ATOM 744 C LYS A 568 54.965 -4.754 -18.549 1.00 0.00 C ATOM 745 O LYS A 568 54.414 -5.846 -18.700 1.00 0.00 O ATOM 746 CB LYS A 568 53.484 -2.742 -18.648 1.00 0.00 C ATOM 747 CG LYS A 568 52.668 -1.759 -17.807 1.00 0.00 C ATOM 748 CD LYS A 568 51.843 -0.857 -18.729 1.00 0.00 C ATOM 749 CE LYS A 568 50.678 -1.656 -19.316 1.00 0.00 C ATOM 750 NZ LYS A 568 49.885 -0.782 -20.226 1.00 0.00 N ATOM 0 H LYS A 568 55.464 -1.941 -17.380 1.00 0.00 H new ATOM 0 HA LYS A 568 53.630 -4.115 -16.997 1.00 0.00 H new ATOM 0 HB2 LYS A 568 54.150 -2.198 -19.318 1.00 0.00 H new ATOM 0 HB3 LYS A 568 52.821 -3.339 -19.274 1.00 0.00 H new ATOM 0 HG2 LYS A 568 52.010 -2.303 -17.130 1.00 0.00 H new ATOM 0 HG3 LYS A 568 53.332 -1.155 -17.189 1.00 0.00 H new ATOM 0 HD2 LYS A 568 51.466 0.001 -18.173 1.00 0.00 H new ATOM 0 HD3 LYS A 568 52.471 -0.467 -19.530 1.00 0.00 H new ATOM 0 HE2 LYS A 568 51.055 -2.521 -19.862 1.00 0.00 H new ATOM 0 HE3 LYS A 568 50.044 -2.036 -18.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 49.093 -1.325 -20.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 49.514 0.030 -19.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 50.494 -0.440 -20.997 1.00 0.00 H new ATOM 764 N ASN A 569 56.154 -4.458 -19.079 1.00 0.00 N ATOM 765 CA ASN A 569 56.899 -5.428 -19.890 1.00 0.00 C ATOM 766 C ASN A 569 57.235 -6.678 -19.064 1.00 0.00 C ATOM 767 O ASN A 569 57.678 -6.560 -17.923 1.00 0.00 O ATOM 768 CB ASN A 569 58.196 -4.782 -20.398 1.00 0.00 C ATOM 769 CG ASN A 569 58.600 -5.385 -21.740 1.00 0.00 C ATOM 770 OD1 ASN A 569 58.076 -4.990 -22.782 1.00 0.00 O ATOM 771 ND2 ASN A 569 59.506 -6.323 -21.777 1.00 0.00 N ATOM 0 H ASN A 569 56.621 -3.559 -18.963 1.00 0.00 H new ATOM 0 HA ASN A 569 56.280 -5.726 -20.736 1.00 0.00 H new ATOM 0 HB2 ASN A 569 58.057 -3.706 -20.503 1.00 0.00 H new ATOM 0 HB3 ASN A 569 58.994 -4.931 -19.670 1.00 0.00 H new ATOM 0 HD21 ASN A 569 59.782 -6.731 -22.670 1.00 0.00 H new ATOM 0 HD22 ASN A 569 59.939 -6.649 -20.913 1.00 0.00 H new ATOM 778 N PRO A 570 57.041 -7.864 -19.611 1.00 0.00 N ATOM 779 CA PRO A 570 57.106 -9.122 -18.800 1.00 0.00 C ATOM 780 C PRO A 570 58.489 -9.359 -18.191 1.00 0.00 C ATOM 781 O PRO A 570 58.608 -9.641 -16.998 1.00 0.00 O ATOM 782 CB PRO A 570 56.744 -10.233 -19.793 1.00 0.00 C ATOM 783 CG PRO A 570 57.019 -9.668 -21.144 1.00 0.00 C ATOM 784 CD PRO A 570 56.788 -8.164 -21.036 1.00 0.00 C ATOM 0 HA PRO A 570 56.431 -9.079 -17.945 1.00 0.00 H new ATOM 0 HB2 PRO A 570 57.340 -11.128 -19.614 1.00 0.00 H new ATOM 0 HB3 PRO A 570 55.697 -10.521 -19.694 1.00 0.00 H new ATOM 0 HG2 PRO A 570 58.042 -9.883 -21.454 1.00 0.00 H new ATOM 0 HG3 PRO A 570 56.360 -10.110 -21.891 1.00 0.00 H new ATOM 0 HD2 PRO A 570 57.464 -7.609 -21.687 1.00 0.00 H new ATOM 0 HD3 PRO A 570 55.773 -7.894 -21.326 1.00 0.00 H new ATOM 792 N GLU A 571 59.535 -9.189 -19.001 1.00 0.00 N ATOM 793 CA GLU A 571 60.892 -9.506 -18.554 1.00 0.00 C ATOM 794 C GLU A 571 61.338 -8.512 -17.487 1.00 0.00 C ATOM 795 O GLU A 571 61.825 -8.900 -16.419 1.00 0.00 O ATOM 796 CB GLU A 571 61.859 -9.465 -19.740 1.00 0.00 C ATOM 797 CG GLU A 571 63.201 -10.078 -19.330 1.00 0.00 C ATOM 798 CD GLU A 571 64.223 -9.899 -20.450 1.00 0.00 C ATOM 799 OE1 GLU A 571 64.265 -8.823 -21.023 1.00 0.00 O ATOM 800 OE2 GLU A 571 64.948 -10.842 -20.718 1.00 0.00 O ATOM 0 H GLU A 571 59.471 -8.839 -19.957 1.00 0.00 H new ATOM 0 HA GLU A 571 60.895 -10.509 -18.128 1.00 0.00 H new ATOM 0 HB2 GLU A 571 61.440 -10.014 -20.583 1.00 0.00 H new ATOM 0 HB3 GLU A 571 62.003 -8.436 -20.069 1.00 0.00 H new ATOM 0 HG2 GLU A 571 63.563 -9.604 -18.418 1.00 0.00 H new ATOM 0 HG3 GLU A 571 63.073 -11.138 -19.109 1.00 0.00 H new ATOM 807 N VAL A 572 61.089 -7.234 -17.743 1.00 0.00 N ATOM 808 CA VAL A 572 61.458 -6.193 -16.795 1.00 0.00 C ATOM 809 C VAL A 572 60.512 -6.228 -15.594 1.00 0.00 C ATOM 810 O VAL A 572 60.920 -5.941 -14.474 1.00 0.00 O ATOM 811 CB VAL A 572 61.428 -4.817 -17.472 1.00 0.00 C ATOM 812 CG1 VAL A 572 61.923 -3.742 -16.496 1.00 0.00 C ATOM 813 CG2 VAL A 572 62.338 -4.836 -18.705 1.00 0.00 C ATOM 0 H VAL A 572 60.637 -6.896 -18.592 1.00 0.00 H new ATOM 0 HA VAL A 572 62.474 -6.374 -16.445 1.00 0.00 H new ATOM 0 HB VAL A 572 60.405 -4.589 -17.771 1.00 0.00 H new ATOM 0 HG11 VAL A 572 61.899 -2.768 -16.985 1.00 0.00 H new ATOM 0 HG12 VAL A 572 61.278 -3.724 -15.617 1.00 0.00 H new ATOM 0 HG13 VAL A 572 62.945 -3.970 -16.192 1.00 0.00 H new ATOM 0 HG21 VAL A 572 62.318 -3.859 -19.187 1.00 0.00 H new ATOM 0 HG22 VAL A 572 63.358 -5.069 -18.401 1.00 0.00 H new ATOM 0 HG23 VAL A 572 61.986 -5.594 -19.405 1.00 0.00 H new ATOM 823 N PHE A 573 59.250 -6.602 -15.832 1.00 0.00 N ATOM 824 CA PHE A 573 58.265 -6.725 -14.749 1.00 0.00 C ATOM 825 C PHE A 573 58.792 -7.638 -13.639 1.00 0.00 C ATOM 826 O PHE A 573 58.739 -7.283 -12.461 1.00 0.00 O ATOM 827 CB PHE A 573 56.949 -7.287 -15.320 1.00 0.00 C ATOM 828 CG PHE A 573 55.930 -7.718 -14.281 1.00 0.00 C ATOM 829 CD1 PHE A 573 55.262 -6.753 -13.487 1.00 0.00 C ATOM 830 CD2 PHE A 573 55.636 -9.094 -14.115 1.00 0.00 C ATOM 831 CE1 PHE A 573 54.304 -7.163 -12.529 1.00 0.00 C ATOM 832 CE2 PHE A 573 54.679 -9.505 -13.155 1.00 0.00 C ATOM 833 CZ PHE A 573 54.013 -8.540 -12.362 1.00 0.00 C ATOM 0 H PHE A 573 58.887 -6.824 -16.759 1.00 0.00 H new ATOM 0 HA PHE A 573 58.085 -5.740 -14.319 1.00 0.00 H new ATOM 0 HB2 PHE A 573 56.495 -6.530 -15.959 1.00 0.00 H new ATOM 0 HB3 PHE A 573 57.182 -8.142 -15.955 1.00 0.00 H new ATOM 0 HD1 PHE A 573 55.484 -5.704 -13.613 1.00 0.00 H new ATOM 0 HD2 PHE A 573 56.142 -9.831 -14.721 1.00 0.00 H new ATOM 0 HE1 PHE A 573 53.795 -6.426 -11.925 1.00 0.00 H new ATOM 0 HE2 PHE A 573 54.458 -10.554 -13.028 1.00 0.00 H new ATOM 0 HZ PHE A 573 53.283 -8.853 -11.630 1.00 0.00 H new ATOM 843 N LYS A 574 59.353 -8.784 -14.027 1.00 0.00 N ATOM 844 CA LYS A 574 59.946 -9.707 -13.057 1.00 0.00 C ATOM 845 C LYS A 574 61.079 -9.025 -12.288 1.00 0.00 C ATOM 846 O LYS A 574 61.116 -9.060 -11.060 1.00 0.00 O ATOM 847 CB LYS A 574 60.495 -10.940 -13.779 1.00 0.00 C ATOM 848 CG LYS A 574 59.344 -11.698 -14.443 1.00 0.00 C ATOM 849 CD LYS A 574 59.877 -12.989 -15.068 1.00 0.00 C ATOM 850 CE LYS A 574 58.758 -13.676 -15.852 1.00 0.00 C ATOM 851 NZ LYS A 574 59.104 -15.112 -16.057 1.00 0.00 N ATOM 0 H LYS A 574 59.410 -9.094 -14.997 1.00 0.00 H new ATOM 0 HA LYS A 574 59.171 -10.009 -12.352 1.00 0.00 H new ATOM 0 HB2 LYS A 574 61.227 -10.640 -14.529 1.00 0.00 H new ATOM 0 HB3 LYS A 574 61.011 -11.589 -13.072 1.00 0.00 H new ATOM 0 HG2 LYS A 574 58.574 -11.929 -13.707 1.00 0.00 H new ATOM 0 HG3 LYS A 574 58.878 -11.076 -15.208 1.00 0.00 H new ATOM 0 HD2 LYS A 574 60.715 -12.767 -15.729 1.00 0.00 H new ATOM 0 HD3 LYS A 574 60.252 -13.654 -14.290 1.00 0.00 H new ATOM 0 HE2 LYS A 574 57.816 -13.592 -15.311 1.00 0.00 H new ATOM 0 HE3 LYS A 574 58.618 -13.184 -16.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 574 58.343 -15.580 -16.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 574 59.994 -15.182 -16.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 574 59.216 -15.577 -15.134 1.00 0.00 H new ATOM 865 N LYS A 575 61.954 -8.339 -13.022 1.00 0.00 N ATOM 866 CA LYS A 575 63.138 -7.719 -12.420 1.00 0.00 C ATOM 867 C LYS A 575 62.753 -6.603 -11.444 1.00 0.00 C ATOM 868 O LYS A 575 63.158 -6.614 -10.277 1.00 0.00 O ATOM 869 CB LYS A 575 64.031 -7.147 -13.522 1.00 0.00 C ATOM 870 CG LYS A 575 64.722 -8.293 -14.263 1.00 0.00 C ATOM 871 CD LYS A 575 65.604 -7.726 -15.378 1.00 0.00 C ATOM 872 CE LYS A 575 66.219 -8.872 -16.191 1.00 0.00 C ATOM 873 NZ LYS A 575 66.255 -8.496 -17.632 1.00 0.00 N ATOM 0 H LYS A 575 61.868 -8.198 -14.029 1.00 0.00 H new ATOM 0 HA LYS A 575 63.675 -8.486 -11.862 1.00 0.00 H new ATOM 0 HB2 LYS A 575 63.435 -6.556 -14.218 1.00 0.00 H new ATOM 0 HB3 LYS A 575 64.775 -6.477 -13.091 1.00 0.00 H new ATOM 0 HG2 LYS A 575 65.327 -8.876 -13.568 1.00 0.00 H new ATOM 0 HG3 LYS A 575 63.977 -8.969 -14.683 1.00 0.00 H new ATOM 0 HD2 LYS A 575 65.013 -7.083 -16.030 1.00 0.00 H new ATOM 0 HD3 LYS A 575 66.393 -7.108 -14.950 1.00 0.00 H new ATOM 0 HE2 LYS A 575 67.227 -9.085 -15.835 1.00 0.00 H new ATOM 0 HE3 LYS A 575 65.634 -9.782 -16.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 575 65.554 -9.059 -18.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 575 66.032 -7.485 -17.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 575 67.204 -8.681 -18.016 1.00 0.00 H new ATOM 887 N ILE A 576 61.946 -5.659 -11.923 1.00 0.00 N ATOM 888 CA ILE A 576 61.533 -4.507 -11.112 1.00 0.00 C ATOM 889 C ILE A 576 60.874 -4.983 -9.805 1.00 0.00 C ATOM 890 O ILE A 576 61.230 -4.530 -8.714 1.00 0.00 O ATOM 891 CB ILE A 576 60.554 -3.628 -11.925 1.00 0.00 C ATOM 892 CG1 ILE A 576 61.238 -3.145 -13.224 1.00 0.00 C ATOM 893 CG2 ILE A 576 60.087 -2.422 -11.090 1.00 0.00 C ATOM 894 CD1 ILE A 576 62.281 -2.053 -12.943 1.00 0.00 C ATOM 0 H ILE A 576 61.563 -5.666 -12.868 1.00 0.00 H new ATOM 0 HA ILE A 576 62.411 -3.915 -10.854 1.00 0.00 H new ATOM 0 HB ILE A 576 59.680 -4.225 -12.183 1.00 0.00 H new ATOM 0 HG12 ILE A 576 61.719 -3.989 -13.718 1.00 0.00 H new ATOM 0 HG13 ILE A 576 60.484 -2.761 -13.911 1.00 0.00 H new ATOM 0 HG21 ILE A 576 59.399 -1.816 -11.679 1.00 0.00 H new ATOM 0 HG22 ILE A 576 59.581 -2.776 -10.192 1.00 0.00 H new ATOM 0 HG23 ILE A 576 60.950 -1.819 -10.807 1.00 0.00 H new ATOM 0 HD11 ILE A 576 62.740 -1.739 -13.880 1.00 0.00 H new ATOM 0 HD12 ILE A 576 61.795 -1.198 -12.473 1.00 0.00 H new ATOM 0 HD13 ILE A 576 63.049 -2.446 -12.276 1.00 0.00 H new ATOM 906 N GLN A 577 59.970 -5.956 -9.926 1.00 0.00 N ATOM 907 CA GLN A 577 59.276 -6.503 -8.757 1.00 0.00 C ATOM 908 C GLN A 577 60.262 -7.110 -7.755 1.00 0.00 C ATOM 909 O GLN A 577 60.135 -6.904 -6.552 1.00 0.00 O ATOM 910 CB GLN A 577 58.282 -7.580 -9.196 1.00 0.00 C ATOM 911 CG GLN A 577 57.070 -6.920 -9.854 1.00 0.00 C ATOM 912 CD GLN A 577 55.977 -7.957 -10.083 1.00 0.00 C ATOM 913 OE1 GLN A 577 56.232 -9.013 -10.664 1.00 0.00 O ATOM 914 NE2 GLN A 577 54.767 -7.720 -9.656 1.00 0.00 N ATOM 0 H GLN A 577 59.702 -6.380 -10.814 1.00 0.00 H new ATOM 0 HA GLN A 577 58.748 -5.682 -8.271 1.00 0.00 H new ATOM 0 HB2 GLN A 577 58.759 -8.267 -9.895 1.00 0.00 H new ATOM 0 HB3 GLN A 577 57.966 -8.170 -8.336 1.00 0.00 H new ATOM 0 HG2 GLN A 577 56.694 -6.116 -9.221 1.00 0.00 H new ATOM 0 HG3 GLN A 577 57.361 -6.469 -10.803 1.00 0.00 H new ATOM 0 HE21 GLN A 577 54.558 -6.845 -9.175 1.00 0.00 H new ATOM 0 HE22 GLN A 577 54.030 -8.410 -9.803 1.00 0.00 H new ATOM 923 N THR A 578 61.247 -7.853 -8.267 1.00 0.00 N ATOM 924 CA THR A 578 62.168 -8.602 -7.409 1.00 0.00 C ATOM 925 C THR A 578 62.866 -7.691 -6.394 1.00 0.00 C ATOM 926 O THR A 578 62.819 -7.956 -5.192 1.00 0.00 O ATOM 927 CB THR A 578 63.218 -9.323 -8.266 1.00 0.00 C ATOM 928 OG1 THR A 578 62.564 -10.068 -9.282 1.00 0.00 O ATOM 929 CG2 THR A 578 64.044 -10.276 -7.396 1.00 0.00 C ATOM 0 H THR A 578 61.426 -7.952 -9.266 1.00 0.00 H new ATOM 0 HA THR A 578 61.580 -9.334 -6.855 1.00 0.00 H new ATOM 0 HB THR A 578 63.880 -8.583 -8.715 1.00 0.00 H new ATOM 0 HG1 THR A 578 62.344 -9.476 -10.031 1.00 0.00 H new ATOM 0 HG21 THR A 578 64.786 -10.782 -8.014 1.00 0.00 H new ATOM 0 HG22 THR A 578 64.549 -9.709 -6.614 1.00 0.00 H new ATOM 0 HG23 THR A 578 63.386 -11.016 -6.940 1.00 0.00 H new ATOM 937 N LEU A 579 63.459 -6.596 -6.866 1.00 0.00 N ATOM 938 CA LEU A 579 64.246 -5.744 -5.968 1.00 0.00 C ATOM 939 C LEU A 579 63.349 -5.019 -4.966 1.00 0.00 C ATOM 940 O LEU A 579 63.733 -4.828 -3.810 1.00 0.00 O ATOM 941 CB LEU A 579 65.071 -4.714 -6.752 1.00 0.00 C ATOM 942 CG LEU A 579 65.991 -5.404 -7.778 1.00 0.00 C ATOM 943 CD1 LEU A 579 66.963 -4.372 -8.350 1.00 0.00 C ATOM 944 CD2 LEU A 579 66.805 -6.528 -7.120 1.00 0.00 C ATOM 0 H LEU A 579 63.415 -6.282 -7.835 1.00 0.00 H new ATOM 0 HA LEU A 579 64.927 -6.400 -5.425 1.00 0.00 H new ATOM 0 HB2 LEU A 579 64.402 -4.023 -7.265 1.00 0.00 H new ATOM 0 HB3 LEU A 579 65.671 -4.122 -6.061 1.00 0.00 H new ATOM 0 HG LEU A 579 65.369 -5.831 -8.565 1.00 0.00 H new ATOM 0 HD11 LEU A 579 67.618 -4.853 -9.077 1.00 0.00 H new ATOM 0 HD12 LEU A 579 66.402 -3.575 -8.838 1.00 0.00 H new ATOM 0 HD13 LEU A 579 67.563 -3.951 -7.543 1.00 0.00 H new ATOM 0 HD21 LEU A 579 67.446 -6.998 -7.866 1.00 0.00 H new ATOM 0 HD22 LEU A 579 67.421 -6.112 -6.323 1.00 0.00 H new ATOM 0 HD23 LEU A 579 66.127 -7.273 -6.703 1.00 0.00 H new ATOM 956 N ILE A 580 62.155 -4.619 -5.407 1.00 0.00 N ATOM 957 CA ILE A 580 61.226 -3.901 -4.531 1.00 0.00 C ATOM 958 C ILE A 580 60.746 -4.813 -3.395 1.00 0.00 C ATOM 959 O ILE A 580 60.761 -4.422 -2.226 1.00 0.00 O ATOM 960 CB ILE A 580 60.029 -3.386 -5.349 1.00 0.00 C ATOM 961 CG1 ILE A 580 60.542 -2.487 -6.483 1.00 0.00 C ATOM 962 CG2 ILE A 580 59.092 -2.571 -4.448 1.00 0.00 C ATOM 963 CD1 ILE A 580 59.400 -2.169 -7.453 1.00 0.00 C ATOM 0 H ILE A 580 61.811 -4.777 -6.354 1.00 0.00 H new ATOM 0 HA ILE A 580 61.744 -3.050 -4.089 1.00 0.00 H new ATOM 0 HB ILE A 580 59.485 -4.235 -5.762 1.00 0.00 H new ATOM 0 HG12 ILE A 580 60.949 -1.563 -6.071 1.00 0.00 H new ATOM 0 HG13 ILE A 580 61.354 -2.984 -7.014 1.00 0.00 H new ATOM 0 HG21 ILE A 580 58.247 -2.210 -5.034 1.00 0.00 H new ATOM 0 HG22 ILE A 580 58.728 -3.201 -3.637 1.00 0.00 H new ATOM 0 HG23 ILE A 580 59.635 -1.722 -4.032 1.00 0.00 H new ATOM 0 HD11 ILE A 580 59.771 -1.531 -8.255 1.00 0.00 H new ATOM 0 HD12 ILE A 580 59.013 -3.096 -7.876 1.00 0.00 H new ATOM 0 HD13 ILE A 580 58.602 -1.653 -6.919 1.00 0.00 H new ATOM 975 N ALA A 581 60.323 -6.026 -3.749 1.00 0.00 N ATOM 976 CA ALA A 581 59.883 -7.010 -2.759 1.00 0.00 C ATOM 977 C ALA A 581 61.025 -7.394 -1.813 1.00 0.00 C ATOM 978 O ALA A 581 60.794 -7.705 -0.643 1.00 0.00 O ATOM 979 CB ALA A 581 59.371 -8.267 -3.468 1.00 0.00 C ATOM 0 H ALA A 581 60.275 -6.352 -4.714 1.00 0.00 H new ATOM 0 HA ALA A 581 59.082 -6.561 -2.172 1.00 0.00 H new ATOM 0 HB1 ALA A 581 59.045 -8.996 -2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 581 58.532 -8.005 -4.112 1.00 0.00 H new ATOM 0 HB3 ALA A 581 60.171 -8.696 -4.071 1.00 0.00 H new ATOM 985 N ALA A 582 62.253 -7.369 -2.334 1.00 0.00 N ATOM 986 CA ALA A 582 63.428 -7.742 -1.546 1.00 0.00 C ATOM 987 C ALA A 582 63.838 -6.639 -0.557 1.00 0.00 C ATOM 988 O ALA A 582 64.787 -6.822 0.206 1.00 0.00 O ATOM 989 CB ALA A 582 64.601 -8.045 -2.481 1.00 0.00 C ATOM 0 H ALA A 582 62.459 -7.095 -3.295 1.00 0.00 H new ATOM 0 HA ALA A 582 63.165 -8.627 -0.967 1.00 0.00 H new ATOM 0 HB1 ALA A 582 65.474 -8.322 -1.891 1.00 0.00 H new ATOM 0 HB2 ALA A 582 64.335 -8.868 -3.144 1.00 0.00 H new ATOM 0 HB3 ALA A 582 64.831 -7.160 -3.075 1.00 0.00 H new ATOM 995 N GLY A 583 63.132 -5.501 -0.568 1.00 0.00 N ATOM 996 CA GLY A 583 63.438 -4.412 0.358 1.00 0.00 C ATOM 997 C GLY A 583 64.726 -3.682 -0.024 1.00 0.00 C ATOM 998 O GLY A 583 65.360 -3.053 0.825 1.00 0.00 O ATOM 0 H GLY A 583 62.354 -5.315 -1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 583 62.610 -3.704 0.371 1.00 0.00 H new ATOM 0 HA3 GLY A 583 63.533 -4.811 1.368 1.00 0.00 H new ATOM 1002 N ILE A 584 65.105 -3.756 -1.301 1.00 0.00 N ATOM 1003 CA ILE A 584 66.292 -3.048 -1.781 1.00 0.00 C ATOM 1004 C ILE A 584 65.927 -1.639 -2.251 1.00 0.00 C ATOM 1005 O ILE A 584 66.751 -0.725 -2.192 1.00 0.00 O ATOM 1006 CB ILE A 584 66.953 -3.808 -2.940 1.00 0.00 C ATOM 1007 CG1 ILE A 584 67.060 -5.302 -2.594 1.00 0.00 C ATOM 1008 CG2 ILE A 584 68.355 -3.236 -3.176 1.00 0.00 C ATOM 1009 CD1 ILE A 584 67.653 -6.091 -3.772 1.00 0.00 C ATOM 0 H ILE A 584 64.613 -4.293 -2.015 1.00 0.00 H new ATOM 0 HA ILE A 584 66.994 -2.983 -0.949 1.00 0.00 H new ATOM 0 HB ILE A 584 66.349 -3.695 -3.840 1.00 0.00 H new ATOM 0 HG12 ILE A 584 67.686 -5.432 -1.711 1.00 0.00 H new ATOM 0 HG13 ILE A 584 66.074 -5.695 -2.346 1.00 0.00 H new ATOM 0 HG21 ILE A 584 68.832 -3.770 -3.998 1.00 0.00 H new ATOM 0 HG22 ILE A 584 68.279 -2.178 -3.426 1.00 0.00 H new ATOM 0 HG23 ILE A 584 68.953 -3.353 -2.272 1.00 0.00 H new ATOM 0 HD11 ILE A 584 67.720 -7.146 -3.506 1.00 0.00 H new ATOM 0 HD12 ILE A 584 67.012 -5.977 -4.646 1.00 0.00 H new ATOM 0 HD13 ILE A 584 68.648 -5.710 -4.000 1.00 0.00 H new ATOM 1021 N ILE A 585 64.686 -1.470 -2.714 1.00 0.00 N ATOM 1022 CA ILE A 585 64.249 -0.199 -3.286 1.00 0.00 C ATOM 1023 C ILE A 585 62.990 0.286 -2.569 1.00 0.00 C ATOM 1024 O ILE A 585 62.095 -0.506 -2.271 1.00 0.00 O ATOM 1025 CB ILE A 585 63.963 -0.375 -4.784 1.00 0.00 C ATOM 1026 CG1 ILE A 585 65.194 -0.971 -5.477 1.00 0.00 C ATOM 1027 CG2 ILE A 585 63.644 0.984 -5.417 1.00 0.00 C ATOM 1028 CD1 ILE A 585 64.834 -1.378 -6.909 1.00 0.00 C ATOM 0 H ILE A 585 63.970 -2.196 -2.703 1.00 0.00 H new ATOM 0 HA ILE A 585 65.038 0.542 -3.158 1.00 0.00 H new ATOM 0 HB ILE A 585 63.111 -1.044 -4.905 1.00 0.00 H new ATOM 0 HG12 ILE A 585 66.005 -0.243 -5.489 1.00 0.00 H new ATOM 0 HG13 ILE A 585 65.552 -1.838 -4.921 1.00 0.00 H new ATOM 0 HG21 ILE A 585 63.442 0.852 -6.480 1.00 0.00 H new ATOM 0 HG22 ILE A 585 62.768 1.415 -4.932 1.00 0.00 H new ATOM 0 HG23 ILE A 585 64.495 1.653 -5.290 1.00 0.00 H new ATOM 0 HD11 ILE A 585 65.711 -1.801 -7.398 1.00 0.00 H new ATOM 0 HD12 ILE A 585 64.037 -2.121 -6.887 1.00 0.00 H new ATOM 0 HD13 ILE A 585 64.497 -0.502 -7.463 1.00 0.00 H new ATOM 1040 N ARG A 586 62.930 1.588 -2.297 1.00 0.00 N ATOM 1041 CA ARG A 586 61.788 2.164 -1.590 1.00 0.00 C ATOM 1042 C ARG A 586 60.800 2.782 -2.576 1.00 0.00 C ATOM 1043 O ARG A 586 61.161 3.662 -3.359 1.00 0.00 O ATOM 1044 CB ARG A 586 62.267 3.235 -0.609 1.00 0.00 C ATOM 1045 CG ARG A 586 63.132 2.585 0.474 1.00 0.00 C ATOM 1046 CD ARG A 586 63.481 3.623 1.544 1.00 0.00 C ATOM 1047 NE ARG A 586 64.206 4.749 0.947 1.00 0.00 N ATOM 1048 CZ ARG A 586 64.579 5.821 1.663 1.00 0.00 C ATOM 1049 NH1 ARG A 586 64.311 5.913 2.944 1.00 0.00 N ATOM 1050 NH2 ARG A 586 65.221 6.791 1.073 1.00 0.00 N ATOM 0 H ARG A 586 63.653 2.260 -2.553 1.00 0.00 H new ATOM 0 HA ARG A 586 61.286 1.366 -1.042 1.00 0.00 H new ATOM 0 HB2 ARG A 586 62.839 3.998 -1.137 1.00 0.00 H new ATOM 0 HB3 ARG A 586 61.412 3.736 -0.155 1.00 0.00 H new ATOM 0 HG2 ARG A 586 62.599 1.748 0.925 1.00 0.00 H new ATOM 0 HG3 ARG A 586 64.044 2.182 0.033 1.00 0.00 H new ATOM 0 HD2 ARG A 586 62.570 3.982 2.023 1.00 0.00 H new ATOM 0 HD3 ARG A 586 64.089 3.162 2.322 1.00 0.00 H new ATOM 0 HE ARG A 586 64.435 4.716 -0.047 1.00 0.00 H new ATOM 0 HH11 ARG A 586 63.809 5.160 3.415 1.00 0.00 H new ATOM 0 HH12 ARG A 586 64.604 6.737 3.468 1.00 0.00 H new ATOM 0 HH21 ARG A 586 65.435 6.730 0.077 1.00 0.00 H new ATOM 0 HH22 ARG A 586 65.509 7.611 1.607 1.00 0.00 H new