USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=11 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= -0.0955 K(o=-4.6,f=-7.1) USER MOD Set 1.2: A 566 HIS : no HE2:sc= -4.46! C(o=-4.6!,f=-9.8!) USER MOD Single : A 530 THR OG1 : rot 180:sc= 0.00913 USER MOD Single : A 531 TYR OH : rot 180:sc= 0 USER MOD Single : A 532 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 535 MET CE :methyl 170:sc= -2.38 (180deg=-2.99) USER MOD Single : A 536 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.105) USER MOD Single : A 544 MET CE :methyl 138:sc= -4.5! (180deg=-6.84!) USER MOD Single : A 545 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 549 MET CE :methyl 161:sc= -7.7! (180deg=-9.38!) USER MOD Single : A 550 GLN : amide:sc=-0.000234 K(o=-0.00023,f=-0.91) USER MOD Single : A 551 SER OG : rot 78:sc= 0.0333 USER MOD Single : A 554 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 557 GLN : amide:sc= -0.195 X(o=-0.19,f=-0.21) USER MOD Single : A 558 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 559 ASN : amide:sc= -0.886 K(o=-0.89,f=-2.6) USER MOD Single : A 564 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 567 MET CE :methyl -152:sc= -0.212 (180deg=-1.39!) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 569 ASN : amide:sc= -1.71 X(o=-1.7,f=-1.3) USER MOD Single : A 574 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 575 LYS NZ :NH3+ -130:sc= 1.25 (180deg=-0.0271) USER MOD Single : A 577 GLN : amide:sc= -4.44 X(o=-4.4,f=-4.6!) USER MOD Single : A 578 THR OG1 : rot 85:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 527 70.280 0.420 4.829 1.00 0.00 N ATOM 108 CA PRO A 527 70.202 0.014 3.388 1.00 0.00 C ATOM 109 C PRO A 527 71.101 -1.184 3.078 1.00 0.00 C ATOM 110 O PRO A 527 70.784 -2.006 2.216 1.00 0.00 O ATOM 111 CB PRO A 527 70.665 1.257 2.621 1.00 0.00 C ATOM 112 CG PRO A 527 70.430 2.403 3.543 1.00 0.00 C ATOM 113 CD PRO A 527 70.594 1.857 4.959 1.00 0.00 C ATOM 0 HA PRO A 527 69.197 -0.305 3.113 1.00 0.00 H new ATOM 0 HB2 PRO A 527 71.718 1.181 2.349 1.00 0.00 H new ATOM 0 HB3 PRO A 527 70.105 1.378 1.694 1.00 0.00 H new ATOM 0 HG2 PRO A 527 71.141 3.207 3.352 1.00 0.00 H new ATOM 0 HG3 PRO A 527 69.432 2.818 3.400 1.00 0.00 H new ATOM 0 HD2 PRO A 527 71.607 2.012 5.331 1.00 0.00 H new ATOM 0 HD3 PRO A 527 69.919 2.351 5.658 1.00 0.00 H new ATOM 121 N GLU A 528 72.209 -1.292 3.815 1.00 0.00 N ATOM 122 CA GLU A 528 73.143 -2.401 3.627 1.00 0.00 C ATOM 123 C GLU A 528 72.463 -3.740 3.909 1.00 0.00 C ATOM 124 O GLU A 528 72.709 -4.727 3.214 1.00 0.00 O ATOM 125 CB GLU A 528 74.349 -2.236 4.555 1.00 0.00 C ATOM 126 CG GLU A 528 75.124 -0.974 4.167 1.00 0.00 C ATOM 127 CD GLU A 528 76.371 -0.834 5.034 1.00 0.00 C ATOM 128 OE1 GLU A 528 77.012 -1.842 5.288 1.00 0.00 O ATOM 129 OE2 GLU A 528 76.668 0.280 5.433 1.00 0.00 O ATOM 0 H GLU A 528 72.479 -0.629 4.542 1.00 0.00 H new ATOM 0 HA GLU A 528 73.477 -2.390 2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 528 74.017 -2.168 5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 528 74.997 -3.109 4.485 1.00 0.00 H new ATOM 0 HG2 GLU A 528 75.407 -1.021 3.115 1.00 0.00 H new ATOM 0 HG3 GLU A 528 74.488 -0.097 4.287 1.00 0.00 H new ATOM 136 N GLU A 529 71.565 -3.754 4.897 1.00 0.00 N ATOM 137 CA GLU A 529 70.887 -4.992 5.276 1.00 0.00 C ATOM 138 C GLU A 529 69.948 -5.444 4.161 1.00 0.00 C ATOM 139 O GLU A 529 69.894 -6.628 3.826 1.00 0.00 O ATOM 140 CB GLU A 529 70.087 -4.784 6.563 1.00 0.00 C ATOM 141 CG GLU A 529 69.696 -6.144 7.146 1.00 0.00 C ATOM 142 CD GLU A 529 68.787 -5.954 8.356 1.00 0.00 C ATOM 143 OE1 GLU A 529 67.904 -5.115 8.285 1.00 0.00 O ATOM 144 OE2 GLU A 529 68.987 -6.651 9.337 1.00 0.00 O ATOM 0 H GLU A 529 71.295 -2.935 5.441 1.00 0.00 H new ATOM 0 HA GLU A 529 71.642 -5.761 5.442 1.00 0.00 H new ATOM 0 HB2 GLU A 529 70.680 -4.223 7.286 1.00 0.00 H new ATOM 0 HB3 GLU A 529 69.194 -4.194 6.357 1.00 0.00 H new ATOM 0 HG2 GLU A 529 69.187 -6.740 6.389 1.00 0.00 H new ATOM 0 HG3 GLU A 529 70.591 -6.695 7.436 1.00 0.00 H new ATOM 151 N THR A 530 69.237 -4.486 3.564 1.00 0.00 N ATOM 152 CA THR A 530 68.289 -4.793 2.492 1.00 0.00 C ATOM 153 C THR A 530 68.990 -5.469 1.315 1.00 0.00 C ATOM 154 O THR A 530 68.527 -6.496 0.816 1.00 0.00 O ATOM 155 CB THR A 530 67.616 -3.504 2.011 1.00 0.00 C ATOM 156 OG1 THR A 530 67.227 -2.728 3.135 1.00 0.00 O ATOM 157 CG2 THR A 530 66.380 -3.849 1.175 1.00 0.00 C ATOM 0 H THR A 530 69.299 -3.496 3.803 1.00 0.00 H new ATOM 0 HA THR A 530 67.539 -5.478 2.888 1.00 0.00 H new ATOM 0 HB THR A 530 68.317 -2.935 1.400 1.00 0.00 H new ATOM 0 HG1 THR A 530 66.798 -1.902 2.829 1.00 0.00 H new ATOM 0 HG21 THR A 530 65.903 -2.930 0.834 1.00 0.00 H new ATOM 0 HG22 THR A 530 66.679 -4.444 0.312 1.00 0.00 H new ATOM 0 HG23 THR A 530 65.677 -4.419 1.783 1.00 0.00 H new ATOM 165 N TYR A 531 70.124 -4.905 0.894 1.00 0.00 N ATOM 166 CA TYR A 531 70.874 -5.455 -0.234 1.00 0.00 C ATOM 167 C TYR A 531 71.315 -6.895 0.039 1.00 0.00 C ATOM 168 O TYR A 531 71.136 -7.772 -0.804 1.00 0.00 O ATOM 169 CB TYR A 531 72.101 -4.586 -0.524 1.00 0.00 C ATOM 170 CG TYR A 531 71.794 -3.372 -1.373 1.00 0.00 C ATOM 171 CD1 TYR A 531 70.855 -2.410 -0.926 1.00 0.00 C ATOM 172 CD2 TYR A 531 72.447 -3.198 -2.618 1.00 0.00 C ATOM 173 CE1 TYR A 531 70.570 -1.275 -1.723 1.00 0.00 C ATOM 174 CE2 TYR A 531 72.162 -2.062 -3.414 1.00 0.00 C ATOM 175 CZ TYR A 531 71.224 -1.101 -2.967 1.00 0.00 C ATOM 176 OH TYR A 531 70.946 0.005 -3.744 1.00 0.00 O ATOM 0 H TYR A 531 70.540 -4.074 1.314 1.00 0.00 H new ATOM 0 HA TYR A 531 70.216 -5.458 -1.103 1.00 0.00 H new ATOM 0 HB2 TYR A 531 72.536 -4.258 0.420 1.00 0.00 H new ATOM 0 HB3 TYR A 531 72.854 -5.191 -1.029 1.00 0.00 H new ATOM 0 HD1 TYR A 531 70.356 -2.542 0.023 1.00 0.00 H new ATOM 0 HD2 TYR A 531 73.162 -3.932 -2.960 1.00 0.00 H new ATOM 0 HE1 TYR A 531 69.854 -0.542 -1.382 1.00 0.00 H new ATOM 0 HE2 TYR A 531 72.661 -1.929 -4.363 1.00 0.00 H new ATOM 0 HH TYR A 531 71.481 -0.029 -4.564 1.00 0.00 H new ATOM 186 N GLN A 532 71.865 -7.140 1.231 1.00 0.00 N ATOM 187 CA GLN A 532 72.346 -8.481 1.586 1.00 0.00 C ATOM 188 C GLN A 532 71.226 -9.519 1.489 1.00 0.00 C ATOM 189 O GLN A 532 71.401 -10.583 0.885 1.00 0.00 O ATOM 190 CB GLN A 532 72.917 -8.476 3.006 1.00 0.00 C ATOM 191 CG GLN A 532 74.196 -7.637 3.041 1.00 0.00 C ATOM 192 CD GLN A 532 74.749 -7.583 4.462 1.00 0.00 C ATOM 193 OE1 GLN A 532 73.986 -7.565 5.428 1.00 0.00 O ATOM 194 NE2 GLN A 532 76.041 -7.556 4.648 1.00 0.00 N ATOM 0 H GLN A 532 71.988 -6.438 1.960 1.00 0.00 H new ATOM 0 HA GLN A 532 73.128 -8.752 0.877 1.00 0.00 H new ATOM 0 HB2 GLN A 532 72.184 -8.069 3.702 1.00 0.00 H new ATOM 0 HB3 GLN A 532 73.130 -9.496 3.327 1.00 0.00 H new ATOM 0 HG2 GLN A 532 74.940 -8.065 2.369 1.00 0.00 H new ATOM 0 HG3 GLN A 532 73.988 -6.628 2.685 1.00 0.00 H new ATOM 0 HE21 GLN A 532 76.672 -7.571 3.847 1.00 0.00 H new ATOM 0 HE22 GLN A 532 76.419 -7.520 5.595 1.00 0.00 H new ATOM 203 N ARG A 533 70.048 -9.179 2.019 1.00 0.00 N ATOM 204 CA ARG A 533 68.911 -10.100 1.987 1.00 0.00 C ATOM 205 C ARG A 533 68.566 -10.465 0.546 1.00 0.00 C ATOM 206 O ARG A 533 68.524 -11.642 0.189 1.00 0.00 O ATOM 207 CB ARG A 533 67.694 -9.460 2.661 1.00 0.00 C ATOM 208 CG ARG A 533 68.010 -9.184 4.132 1.00 0.00 C ATOM 209 CD ARG A 533 68.046 -10.504 4.906 1.00 0.00 C ATOM 210 NE ARG A 533 68.241 -10.248 6.333 1.00 0.00 N ATOM 211 CZ ARG A 533 69.430 -9.897 6.844 1.00 0.00 C ATOM 212 NH1 ARG A 533 70.489 -9.763 6.079 1.00 0.00 N ATOM 213 NH2 ARG A 533 69.538 -9.683 8.128 1.00 0.00 N ATOM 0 H ARG A 533 69.858 -8.284 2.470 1.00 0.00 H new ATOM 0 HA ARG A 533 69.185 -11.006 2.528 1.00 0.00 H new ATOM 0 HB2 ARG A 533 67.431 -8.531 2.154 1.00 0.00 H new ATOM 0 HB3 ARG A 533 66.831 -10.122 2.582 1.00 0.00 H new ATOM 0 HG2 ARG A 533 68.969 -8.674 4.219 1.00 0.00 H new ATOM 0 HG3 ARG A 533 67.257 -8.521 4.558 1.00 0.00 H new ATOM 0 HD2 ARG A 533 67.116 -11.050 4.751 1.00 0.00 H new ATOM 0 HD3 ARG A 533 68.852 -11.133 4.529 1.00 0.00 H new ATOM 0 HE ARG A 533 67.443 -10.340 6.962 1.00 0.00 H new ATOM 0 HH11 ARG A 533 70.417 -9.927 5.075 1.00 0.00 H new ATOM 0 HH12 ARG A 533 71.384 -9.495 6.489 1.00 0.00 H new ATOM 0 HH21 ARG A 533 68.722 -9.783 8.732 1.00 0.00 H new ATOM 0 HH22 ARG A 533 70.438 -9.416 8.527 1.00 0.00 H new ATOM 227 N ALA A 534 68.462 -9.444 -0.304 1.00 0.00 N ATOM 228 CA ALA A 534 68.149 -9.655 -1.720 1.00 0.00 C ATOM 229 C ALA A 534 69.226 -10.504 -2.399 1.00 0.00 C ATOM 230 O ALA A 534 68.926 -11.338 -3.254 1.00 0.00 O ATOM 231 CB ALA A 534 68.048 -8.305 -2.433 1.00 0.00 C ATOM 0 H ALA A 534 68.589 -8.467 -0.040 1.00 0.00 H new ATOM 0 HA ALA A 534 67.197 -10.182 -1.783 1.00 0.00 H new ATOM 0 HB1 ALA A 534 67.815 -8.466 -3.486 1.00 0.00 H new ATOM 0 HB2 ALA A 534 67.259 -7.709 -1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 534 68.998 -7.777 -2.348 1.00 0.00 H new ATOM 237 N MET A 535 70.479 -10.303 -1.987 1.00 0.00 N ATOM 238 CA MET A 535 71.612 -11.000 -2.599 1.00 0.00 C ATOM 239 C MET A 535 71.510 -12.513 -2.402 1.00 0.00 C ATOM 240 O MET A 535 72.003 -13.282 -3.229 1.00 0.00 O ATOM 241 CB MET A 535 72.927 -10.490 -2.003 1.00 0.00 C ATOM 242 CG MET A 535 73.260 -9.121 -2.599 1.00 0.00 C ATOM 243 SD MET A 535 73.836 -9.330 -4.303 1.00 0.00 S ATOM 244 CE MET A 535 72.374 -8.657 -5.131 1.00 0.00 C ATOM 0 H MET A 535 70.735 -9.665 -1.234 1.00 0.00 H new ATOM 0 HA MET A 535 71.591 -10.794 -3.669 1.00 0.00 H new ATOM 0 HB2 MET A 535 72.843 -10.416 -0.919 1.00 0.00 H new ATOM 0 HB3 MET A 535 73.731 -11.195 -2.213 1.00 0.00 H new ATOM 0 HG2 MET A 535 72.379 -8.479 -2.577 1.00 0.00 H new ATOM 0 HG3 MET A 535 74.028 -8.629 -2.002 1.00 0.00 H new ATOM 0 HE1 MET A 535 72.585 -8.526 -6.192 1.00 0.00 H new ATOM 0 HE2 MET A 535 71.538 -9.345 -5.009 1.00 0.00 H new ATOM 0 HE3 MET A 535 72.118 -7.693 -4.691 1.00 0.00 H new ATOM 254 N LYS A 536 70.876 -12.934 -1.307 1.00 0.00 N ATOM 255 CA LYS A 536 70.640 -14.357 -1.075 1.00 0.00 C ATOM 256 C LYS A 536 69.587 -14.900 -2.046 1.00 0.00 C ATOM 257 O LYS A 536 69.532 -16.106 -2.297 1.00 0.00 O ATOM 258 CB LYS A 536 70.193 -14.592 0.368 1.00 0.00 C ATOM 259 CG LYS A 536 71.317 -14.188 1.323 1.00 0.00 C ATOM 260 CD LYS A 536 70.911 -14.518 2.760 1.00 0.00 C ATOM 261 CE LYS A 536 71.981 -14.001 3.724 1.00 0.00 C ATOM 262 NZ LYS A 536 71.853 -12.522 3.862 1.00 0.00 N ATOM 0 H LYS A 536 70.521 -12.318 -0.576 1.00 0.00 H new ATOM 0 HA LYS A 536 71.575 -14.889 -1.248 1.00 0.00 H new ATOM 0 HB2 LYS A 536 69.295 -14.012 0.581 1.00 0.00 H new ATOM 0 HB3 LYS A 536 69.937 -15.641 0.514 1.00 0.00 H new ATOM 0 HG2 LYS A 536 72.235 -14.715 1.064 1.00 0.00 H new ATOM 0 HG3 LYS A 536 71.523 -13.122 1.228 1.00 0.00 H new ATOM 0 HD2 LYS A 536 69.948 -14.063 2.991 1.00 0.00 H new ATOM 0 HD3 LYS A 536 70.791 -15.595 2.877 1.00 0.00 H new ATOM 0 HE2 LYS A 536 71.870 -14.479 4.697 1.00 0.00 H new ATOM 0 HE3 LYS A 536 72.974 -14.258 3.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 536 72.435 -12.196 4.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 536 72.176 -12.062 2.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 536 70.858 -12.274 4.036 1.00 0.00 H new ATOM 276 N ASP A 537 68.754 -14.009 -2.584 1.00 0.00 N ATOM 277 CA ASP A 537 67.784 -14.394 -3.605 1.00 0.00 C ATOM 278 C ASP A 537 68.457 -14.445 -4.985 1.00 0.00 C ATOM 279 O ASP A 537 68.896 -13.411 -5.493 1.00 0.00 O ATOM 280 CB ASP A 537 66.632 -13.381 -3.633 1.00 0.00 C ATOM 281 CG ASP A 537 65.476 -13.892 -4.500 1.00 0.00 C ATOM 282 OD1 ASP A 537 65.503 -15.051 -4.887 1.00 0.00 O ATOM 283 OD2 ASP A 537 64.577 -13.112 -4.763 1.00 0.00 O ATOM 0 H ASP A 537 68.732 -13.021 -2.330 1.00 0.00 H new ATOM 0 HA ASP A 537 67.394 -15.383 -3.364 1.00 0.00 H new ATOM 0 HB2 ASP A 537 66.278 -13.199 -2.618 1.00 0.00 H new ATOM 0 HB3 ASP A 537 66.990 -12.428 -4.022 1.00 0.00 H new ATOM 288 N PRO A 538 68.545 -15.610 -5.605 1.00 0.00 N ATOM 289 CA PRO A 538 69.321 -15.770 -6.880 1.00 0.00 C ATOM 290 C PRO A 538 68.837 -14.829 -7.985 1.00 0.00 C ATOM 291 O PRO A 538 69.633 -14.354 -8.797 1.00 0.00 O ATOM 292 CB PRO A 538 69.103 -17.235 -7.282 1.00 0.00 C ATOM 293 CG PRO A 538 68.654 -17.931 -6.044 1.00 0.00 C ATOM 294 CD PRO A 538 67.925 -16.888 -5.203 1.00 0.00 C ATOM 0 HA PRO A 538 70.372 -15.519 -6.735 1.00 0.00 H new ATOM 0 HB2 PRO A 538 68.355 -17.317 -8.070 1.00 0.00 H new ATOM 0 HB3 PRO A 538 70.022 -17.676 -7.667 1.00 0.00 H new ATOM 0 HG2 PRO A 538 67.995 -18.765 -6.285 1.00 0.00 H new ATOM 0 HG3 PRO A 538 69.504 -18.343 -5.500 1.00 0.00 H new ATOM 0 HD2 PRO A 538 66.853 -16.892 -5.402 1.00 0.00 H new ATOM 0 HD3 PRO A 538 68.052 -17.075 -4.137 1.00 0.00 H new ATOM 302 N GLU A 539 67.539 -14.521 -7.979 1.00 0.00 N ATOM 303 CA GLU A 539 66.961 -13.682 -9.027 1.00 0.00 C ATOM 304 C GLU A 539 67.502 -12.258 -8.926 1.00 0.00 C ATOM 305 O GLU A 539 67.801 -11.625 -9.938 1.00 0.00 O ATOM 306 CB GLU A 539 65.435 -13.663 -8.912 1.00 0.00 C ATOM 307 CG GLU A 539 64.893 -15.086 -9.073 1.00 0.00 C ATOM 308 CD GLU A 539 63.366 -15.073 -9.047 1.00 0.00 C ATOM 309 OE1 GLU A 539 62.788 -14.175 -9.636 1.00 0.00 O ATOM 310 OE2 GLU A 539 62.799 -15.964 -8.437 1.00 0.00 O ATOM 0 H GLU A 539 66.877 -14.835 -7.270 1.00 0.00 H new ATOM 0 HA GLU A 539 67.240 -14.100 -9.994 1.00 0.00 H new ATOM 0 HB2 GLU A 539 65.138 -13.256 -7.945 1.00 0.00 H new ATOM 0 HB3 GLU A 539 65.010 -13.012 -9.676 1.00 0.00 H new ATOM 0 HG2 GLU A 539 65.245 -15.513 -10.012 1.00 0.00 H new ATOM 0 HG3 GLU A 539 65.273 -15.721 -8.272 1.00 0.00 H new ATOM 317 N VAL A 540 67.708 -11.791 -7.695 1.00 0.00 N ATOM 318 CA VAL A 540 68.228 -10.443 -7.472 1.00 0.00 C ATOM 319 C VAL A 540 69.662 -10.345 -7.992 1.00 0.00 C ATOM 320 O VAL A 540 70.024 -9.377 -8.661 1.00 0.00 O ATOM 321 CB VAL A 540 68.194 -10.107 -5.974 1.00 0.00 C ATOM 322 CG1 VAL A 540 68.639 -8.658 -5.745 1.00 0.00 C ATOM 323 CG2 VAL A 540 66.770 -10.291 -5.436 1.00 0.00 C ATOM 0 H VAL A 540 67.524 -12.321 -6.843 1.00 0.00 H new ATOM 0 HA VAL A 540 67.603 -9.730 -8.010 1.00 0.00 H new ATOM 0 HB VAL A 540 68.875 -10.777 -5.449 1.00 0.00 H new ATOM 0 HG11 VAL A 540 68.610 -8.433 -4.679 1.00 0.00 H new ATOM 0 HG12 VAL A 540 69.655 -8.526 -6.116 1.00 0.00 H new ATOM 0 HG13 VAL A 540 67.968 -7.983 -6.277 1.00 0.00 H new ATOM 0 HG21 VAL A 540 66.749 -10.052 -4.373 1.00 0.00 H new ATOM 0 HG22 VAL A 540 66.090 -9.627 -5.971 1.00 0.00 H new ATOM 0 HG23 VAL A 540 66.457 -11.325 -5.582 1.00 0.00 H new ATOM 333 N ALA A 541 70.467 -11.362 -7.690 1.00 0.00 N ATOM 334 CA ALA A 541 71.874 -11.369 -8.098 1.00 0.00 C ATOM 335 C ALA A 541 71.990 -11.226 -9.615 1.00 0.00 C ATOM 336 O ALA A 541 72.778 -10.424 -10.122 1.00 0.00 O ATOM 337 CB ALA A 541 72.534 -12.679 -7.657 1.00 0.00 C ATOM 0 H ALA A 541 70.173 -12.188 -7.168 1.00 0.00 H new ATOM 0 HA ALA A 541 72.379 -10.527 -7.624 1.00 0.00 H new ATOM 0 HB1 ALA A 541 73.580 -12.680 -7.962 1.00 0.00 H new ATOM 0 HB2 ALA A 541 72.472 -12.770 -6.573 1.00 0.00 H new ATOM 0 HB3 ALA A 541 72.020 -13.520 -8.122 1.00 0.00 H new ATOM 343 N ALA A 542 71.145 -11.967 -10.327 1.00 0.00 N ATOM 344 CA ALA A 542 71.176 -11.966 -11.791 1.00 0.00 C ATOM 345 C ALA A 542 70.846 -10.582 -12.350 1.00 0.00 C ATOM 346 O ALA A 542 71.471 -10.130 -13.309 1.00 0.00 O ATOM 347 CB ALA A 542 70.173 -12.987 -12.335 1.00 0.00 C ATOM 0 H ALA A 542 70.433 -12.573 -9.919 1.00 0.00 H new ATOM 0 HA ALA A 542 72.184 -12.235 -12.106 1.00 0.00 H new ATOM 0 HB1 ALA A 542 70.202 -12.980 -13.425 1.00 0.00 H new ATOM 0 HB2 ALA A 542 70.432 -13.981 -11.971 1.00 0.00 H new ATOM 0 HB3 ALA A 542 69.170 -12.727 -11.997 1.00 0.00 H new ATOM 353 N ILE A 543 69.868 -9.913 -11.738 1.00 0.00 N ATOM 354 CA ILE A 543 69.419 -8.605 -12.216 1.00 0.00 C ATOM 355 C ILE A 543 70.520 -7.551 -12.063 1.00 0.00 C ATOM 356 O ILE A 543 70.773 -6.780 -12.991 1.00 0.00 O ATOM 357 CB ILE A 543 68.155 -8.194 -11.442 1.00 0.00 C ATOM 358 CG1 ILE A 543 67.040 -9.193 -11.764 1.00 0.00 C ATOM 359 CG2 ILE A 543 67.699 -6.784 -11.846 1.00 0.00 C ATOM 360 CD1 ILE A 543 65.853 -8.965 -10.828 1.00 0.00 C ATOM 0 H ILE A 543 69.373 -10.254 -10.914 1.00 0.00 H new ATOM 0 HA ILE A 543 69.186 -8.675 -13.279 1.00 0.00 H new ATOM 0 HB ILE A 543 68.377 -8.192 -10.375 1.00 0.00 H new ATOM 0 HG12 ILE A 543 66.724 -9.078 -12.801 1.00 0.00 H new ATOM 0 HG13 ILE A 543 67.410 -10.212 -11.655 1.00 0.00 H new ATOM 0 HG21 ILE A 543 66.804 -6.516 -11.285 1.00 0.00 H new ATOM 0 HG22 ILE A 543 68.492 -6.069 -11.627 1.00 0.00 H new ATOM 0 HG23 ILE A 543 67.478 -6.765 -12.913 1.00 0.00 H new ATOM 0 HD11 ILE A 543 65.063 -9.679 -11.062 1.00 0.00 H new ATOM 0 HD12 ILE A 543 66.172 -9.103 -9.795 1.00 0.00 H new ATOM 0 HD13 ILE A 543 65.476 -7.951 -10.959 1.00 0.00 H new ATOM 372 N MET A 544 71.171 -7.519 -10.900 1.00 0.00 N ATOM 373 CA MET A 544 72.220 -6.525 -10.650 1.00 0.00 C ATOM 374 C MET A 544 73.390 -6.701 -11.619 1.00 0.00 C ATOM 375 O MET A 544 74.046 -5.728 -11.991 1.00 0.00 O ATOM 376 CB MET A 544 72.723 -6.629 -9.209 1.00 0.00 C ATOM 377 CG MET A 544 71.742 -5.916 -8.276 1.00 0.00 C ATOM 378 SD MET A 544 72.469 -5.776 -6.624 1.00 0.00 S ATOM 379 CE MET A 544 71.098 -4.892 -5.840 1.00 0.00 C ATOM 0 H MET A 544 70.996 -8.159 -10.125 1.00 0.00 H new ATOM 0 HA MET A 544 71.786 -5.538 -10.808 1.00 0.00 H new ATOM 0 HB2 MET A 544 72.821 -7.676 -8.921 1.00 0.00 H new ATOM 0 HB3 MET A 544 73.713 -6.181 -9.125 1.00 0.00 H new ATOM 0 HG2 MET A 544 71.507 -4.926 -8.666 1.00 0.00 H new ATOM 0 HG3 MET A 544 70.804 -6.469 -8.226 1.00 0.00 H new ATOM 0 HE1 MET A 544 70.921 -5.303 -4.846 1.00 0.00 H new ATOM 0 HE2 MET A 544 71.348 -3.834 -5.756 1.00 0.00 H new ATOM 0 HE3 MET A 544 70.198 -5.006 -6.445 1.00 0.00 H new ATOM 389 N GLN A 545 73.646 -7.947 -12.019 1.00 0.00 N ATOM 390 CA GLN A 545 74.667 -8.224 -13.032 1.00 0.00 C ATOM 391 C GLN A 545 74.124 -8.058 -14.459 1.00 0.00 C ATOM 392 O GLN A 545 74.848 -8.292 -15.429 1.00 0.00 O ATOM 393 CB GLN A 545 75.193 -9.647 -12.855 1.00 0.00 C ATOM 394 CG GLN A 545 76.295 -9.663 -11.792 1.00 0.00 C ATOM 395 CD GLN A 545 76.872 -11.068 -11.659 1.00 0.00 C ATOM 396 OE1 GLN A 545 77.007 -11.782 -12.653 1.00 0.00 O ATOM 397 NE2 GLN A 545 77.224 -11.510 -10.482 1.00 0.00 N ATOM 0 H GLN A 545 73.166 -8.773 -11.662 1.00 0.00 H new ATOM 0 HA GLN A 545 75.471 -7.501 -12.893 1.00 0.00 H new ATOM 0 HB2 GLN A 545 74.380 -10.311 -12.560 1.00 0.00 H new ATOM 0 HB3 GLN A 545 75.583 -10.021 -13.802 1.00 0.00 H new ATOM 0 HG2 GLN A 545 77.084 -8.961 -12.064 1.00 0.00 H new ATOM 0 HG3 GLN A 545 75.892 -9.334 -10.834 1.00 0.00 H new ATOM 0 HE21 GLN A 545 77.111 -10.917 -9.660 1.00 0.00 H new ATOM 0 HE22 GLN A 545 77.612 -12.448 -10.385 1.00 0.00 H new ATOM 406 N ASP A 546 72.861 -7.656 -14.584 1.00 0.00 N ATOM 407 CA ASP A 546 72.236 -7.467 -15.893 1.00 0.00 C ATOM 408 C ASP A 546 71.980 -5.969 -16.133 1.00 0.00 C ATOM 409 O ASP A 546 71.301 -5.324 -15.334 1.00 0.00 O ATOM 410 CB ASP A 546 70.902 -8.233 -15.930 1.00 0.00 C ATOM 411 CG ASP A 546 70.566 -8.713 -17.346 1.00 0.00 C ATOM 412 OD1 ASP A 546 71.419 -8.624 -18.214 1.00 0.00 O ATOM 413 OD2 ASP A 546 69.450 -9.165 -17.540 1.00 0.00 O ATOM 0 H ASP A 546 72.249 -7.454 -13.794 1.00 0.00 H new ATOM 0 HA ASP A 546 72.897 -7.845 -16.673 1.00 0.00 H new ATOM 0 HB2 ASP A 546 70.955 -9.089 -15.258 1.00 0.00 H new ATOM 0 HB3 ASP A 546 70.102 -7.589 -15.564 1.00 0.00 H new ATOM 418 N PRO A 547 72.492 -5.410 -17.212 1.00 0.00 N ATOM 419 CA PRO A 547 72.565 -3.923 -17.372 1.00 0.00 C ATOM 420 C PRO A 547 71.199 -3.271 -17.625 1.00 0.00 C ATOM 421 O PRO A 547 71.058 -2.053 -17.507 1.00 0.00 O ATOM 422 CB PRO A 547 73.493 -3.736 -18.569 1.00 0.00 C ATOM 423 CG PRO A 547 73.290 -4.949 -19.409 1.00 0.00 C ATOM 424 CD PRO A 547 72.919 -6.087 -18.456 1.00 0.00 C ATOM 0 HA PRO A 547 72.922 -3.441 -16.462 1.00 0.00 H new ATOM 0 HB2 PRO A 547 73.247 -2.829 -19.121 1.00 0.00 H new ATOM 0 HB3 PRO A 547 74.532 -3.645 -18.252 1.00 0.00 H new ATOM 0 HG2 PRO A 547 72.500 -4.785 -20.142 1.00 0.00 H new ATOM 0 HG3 PRO A 547 74.196 -5.190 -19.966 1.00 0.00 H new ATOM 0 HD2 PRO A 547 72.119 -6.703 -18.867 1.00 0.00 H new ATOM 0 HD3 PRO A 547 73.768 -6.746 -18.277 1.00 0.00 H new ATOM 432 N VAL A 548 70.188 -4.084 -17.948 1.00 0.00 N ATOM 433 CA VAL A 548 68.907 -3.552 -18.426 1.00 0.00 C ATOM 434 C VAL A 548 68.293 -2.598 -17.399 1.00 0.00 C ATOM 435 O VAL A 548 68.027 -1.438 -17.706 1.00 0.00 O ATOM 436 CB VAL A 548 67.934 -4.709 -18.714 1.00 0.00 C ATOM 437 CG1 VAL A 548 66.582 -4.166 -19.197 1.00 0.00 C ATOM 438 CG2 VAL A 548 68.530 -5.614 -19.795 1.00 0.00 C ATOM 0 H VAL A 548 70.230 -5.101 -17.888 1.00 0.00 H new ATOM 0 HA VAL A 548 69.089 -2.995 -19.345 1.00 0.00 H new ATOM 0 HB VAL A 548 67.779 -5.275 -17.796 1.00 0.00 H new ATOM 0 HG11 VAL A 548 65.906 -4.998 -19.396 1.00 0.00 H new ATOM 0 HG12 VAL A 548 66.152 -3.525 -18.428 1.00 0.00 H new ATOM 0 HG13 VAL A 548 66.727 -3.590 -20.111 1.00 0.00 H new ATOM 0 HG21 VAL A 548 67.843 -6.435 -20.002 1.00 0.00 H new ATOM 0 HG22 VAL A 548 68.690 -5.037 -20.706 1.00 0.00 H new ATOM 0 HG23 VAL A 548 69.482 -6.016 -19.449 1.00 0.00 H new ATOM 448 N MET A 549 68.138 -3.071 -16.168 1.00 0.00 N ATOM 449 CA MET A 549 67.380 -2.317 -15.172 1.00 0.00 C ATOM 450 C MET A 549 68.088 -1.018 -14.800 1.00 0.00 C ATOM 451 O MET A 549 67.433 -0.019 -14.497 1.00 0.00 O ATOM 452 CB MET A 549 67.132 -3.164 -13.921 1.00 0.00 C ATOM 453 CG MET A 549 65.811 -3.923 -14.089 1.00 0.00 C ATOM 454 SD MET A 549 65.333 -4.700 -12.527 1.00 0.00 S ATOM 455 CE MET A 549 65.206 -3.197 -11.532 1.00 0.00 C ATOM 0 H MET A 549 68.519 -3.958 -15.837 1.00 0.00 H new ATOM 0 HA MET A 549 66.418 -2.062 -15.617 1.00 0.00 H new ATOM 0 HB2 MET A 549 67.953 -3.865 -13.772 1.00 0.00 H new ATOM 0 HB3 MET A 549 67.091 -2.528 -13.037 1.00 0.00 H new ATOM 0 HG2 MET A 549 65.029 -3.238 -14.417 1.00 0.00 H new ATOM 0 HG3 MET A 549 65.916 -4.682 -14.864 1.00 0.00 H new ATOM 0 HE1 MET A 549 64.608 -3.399 -10.643 1.00 0.00 H new ATOM 0 HE2 MET A 549 66.203 -2.873 -11.233 1.00 0.00 H new ATOM 0 HE3 MET A 549 64.730 -2.411 -12.119 1.00 0.00 H new ATOM 465 N GLN A 550 69.420 -1.018 -14.856 1.00 0.00 N ATOM 466 CA GLN A 550 70.184 0.210 -14.631 1.00 0.00 C ATOM 467 C GLN A 550 69.795 1.276 -15.657 1.00 0.00 C ATOM 468 O GLN A 550 69.534 2.429 -15.306 1.00 0.00 O ATOM 469 CB GLN A 550 71.683 -0.078 -14.741 1.00 0.00 C ATOM 470 CG GLN A 550 72.100 -1.044 -13.629 1.00 0.00 C ATOM 471 CD GLN A 550 73.581 -1.386 -13.758 1.00 0.00 C ATOM 472 OE1 GLN A 550 74.109 -1.462 -14.867 1.00 0.00 O ATOM 473 NE2 GLN A 550 74.287 -1.598 -12.681 1.00 0.00 N ATOM 0 H GLN A 550 69.987 -1.843 -15.053 1.00 0.00 H new ATOM 0 HA GLN A 550 69.957 0.579 -13.631 1.00 0.00 H new ATOM 0 HB2 GLN A 550 71.911 -0.509 -15.716 1.00 0.00 H new ATOM 0 HB3 GLN A 550 72.249 0.850 -14.662 1.00 0.00 H new ATOM 0 HG2 GLN A 550 71.906 -0.595 -12.655 1.00 0.00 H new ATOM 0 HG3 GLN A 550 71.503 -1.954 -13.685 1.00 0.00 H new ATOM 0 HE21 GLN A 550 73.848 -1.535 -11.763 1.00 0.00 H new ATOM 0 HE22 GLN A 550 75.278 -1.827 -12.758 1.00 0.00 H new ATOM 482 N SER A 551 69.706 0.863 -16.923 1.00 0.00 N ATOM 483 CA SER A 551 69.328 1.778 -18.000 1.00 0.00 C ATOM 484 C SER A 551 67.909 2.316 -17.810 1.00 0.00 C ATOM 485 O SER A 551 67.663 3.503 -18.016 1.00 0.00 O ATOM 486 CB SER A 551 69.427 1.067 -19.351 1.00 0.00 C ATOM 487 OG SER A 551 70.732 0.522 -19.500 1.00 0.00 O ATOM 0 H SER A 551 69.889 -0.094 -17.226 1.00 0.00 H new ATOM 0 HA SER A 551 70.018 2.621 -17.974 1.00 0.00 H new ATOM 0 HB2 SER A 551 68.680 0.275 -19.414 1.00 0.00 H new ATOM 0 HB3 SER A 551 69.218 1.767 -20.160 1.00 0.00 H new ATOM 0 HG SER A 551 70.803 -0.304 -18.977 1.00 0.00 H new ATOM 493 N ILE A 552 66.981 1.450 -17.396 1.00 0.00 N ATOM 494 CA ILE A 552 65.575 1.846 -17.260 1.00 0.00 C ATOM 495 C ILE A 552 65.420 2.935 -16.196 1.00 0.00 C ATOM 496 O ILE A 552 64.742 3.936 -16.421 1.00 0.00 O ATOM 497 CB ILE A 552 64.708 0.624 -16.896 1.00 0.00 C ATOM 498 CG1 ILE A 552 64.937 -0.486 -17.931 1.00 0.00 C ATOM 499 CG2 ILE A 552 63.221 1.018 -16.897 1.00 0.00 C ATOM 500 CD1 ILE A 552 64.286 -1.794 -17.468 1.00 0.00 C ATOM 0 H ILE A 552 67.174 0.479 -17.151 1.00 0.00 H new ATOM 0 HA ILE A 552 65.239 2.246 -18.216 1.00 0.00 H new ATOM 0 HB ILE A 552 64.986 0.269 -15.903 1.00 0.00 H new ATOM 0 HG12 ILE A 552 64.521 -0.186 -18.893 1.00 0.00 H new ATOM 0 HG13 ILE A 552 66.006 -0.638 -18.080 1.00 0.00 H new ATOM 0 HG21 ILE A 552 62.614 0.150 -16.639 1.00 0.00 H new ATOM 0 HG22 ILE A 552 63.053 1.808 -16.165 1.00 0.00 H new ATOM 0 HG23 ILE A 552 62.940 1.376 -17.888 1.00 0.00 H new ATOM 0 HD11 ILE A 552 64.458 -2.570 -18.214 1.00 0.00 H new ATOM 0 HD12 ILE A 552 64.722 -2.101 -16.517 1.00 0.00 H new ATOM 0 HD13 ILE A 552 63.214 -1.642 -17.343 1.00 0.00 H new ATOM 512 N LEU A 553 66.072 2.744 -15.049 1.00 0.00 N ATOM 513 CA LEU A 553 66.015 3.733 -13.965 1.00 0.00 C ATOM 514 C LEU A 553 66.549 5.088 -14.434 1.00 0.00 C ATOM 515 O LEU A 553 65.926 6.127 -14.206 1.00 0.00 O ATOM 516 CB LEU A 553 66.833 3.247 -12.766 1.00 0.00 C ATOM 517 CG LEU A 553 66.238 1.940 -12.232 1.00 0.00 C ATOM 518 CD1 LEU A 553 67.192 1.328 -11.204 1.00 0.00 C ATOM 519 CD2 LEU A 553 64.891 2.226 -11.563 1.00 0.00 C ATOM 0 H LEU A 553 66.641 1.923 -14.844 1.00 0.00 H new ATOM 0 HA LEU A 553 64.973 3.852 -13.670 1.00 0.00 H new ATOM 0 HB2 LEU A 553 67.871 3.092 -13.060 1.00 0.00 H new ATOM 0 HB3 LEU A 553 66.834 4.005 -11.982 1.00 0.00 H new ATOM 0 HG LEU A 553 66.095 1.244 -13.059 1.00 0.00 H new ATOM 0 HD11 LEU A 553 66.769 0.398 -10.824 1.00 0.00 H new ATOM 0 HD12 LEU A 553 68.153 1.123 -11.676 1.00 0.00 H new ATOM 0 HD13 LEU A 553 67.334 2.026 -10.379 1.00 0.00 H new ATOM 0 HD21 LEU A 553 64.468 1.296 -11.183 1.00 0.00 H new ATOM 0 HD22 LEU A 553 65.036 2.922 -10.737 1.00 0.00 H new ATOM 0 HD23 LEU A 553 64.209 2.664 -12.292 1.00 0.00 H new ATOM 531 N GLN A 554 67.680 5.063 -15.144 1.00 0.00 N ATOM 532 CA GLN A 554 68.259 6.290 -15.696 1.00 0.00 C ATOM 533 C GLN A 554 67.242 7.011 -16.583 1.00 0.00 C ATOM 534 O GLN A 554 66.921 8.179 -16.355 1.00 0.00 O ATOM 535 CB GLN A 554 69.510 5.956 -16.514 1.00 0.00 C ATOM 536 CG GLN A 554 70.283 7.242 -16.816 1.00 0.00 C ATOM 537 CD GLN A 554 71.498 6.928 -17.683 1.00 0.00 C ATOM 538 OE1 GLN A 554 72.248 5.997 -17.388 1.00 0.00 O ATOM 539 NE2 GLN A 554 71.739 7.652 -18.741 1.00 0.00 N ATOM 0 H GLN A 554 68.209 4.215 -15.349 1.00 0.00 H new ATOM 0 HA GLN A 554 68.532 6.946 -14.869 1.00 0.00 H new ATOM 0 HB2 GLN A 554 70.143 5.260 -15.963 1.00 0.00 H new ATOM 0 HB3 GLN A 554 69.228 5.462 -17.444 1.00 0.00 H new ATOM 0 HG2 GLN A 554 69.635 7.954 -17.327 1.00 0.00 H new ATOM 0 HG3 GLN A 554 70.601 7.712 -15.885 1.00 0.00 H new ATOM 0 HE21 GLN A 554 71.117 8.423 -18.984 1.00 0.00 H new ATOM 0 HE22 GLN A 554 72.550 7.447 -19.325 1.00 0.00 H new ATOM 548 N GLN A 555 66.631 6.264 -17.502 1.00 0.00 N ATOM 549 CA GLN A 555 65.673 6.843 -18.445 1.00 0.00 C ATOM 550 C GLN A 555 64.480 7.458 -17.714 1.00 0.00 C ATOM 551 O GLN A 555 63.952 8.490 -18.133 1.00 0.00 O ATOM 552 CB GLN A 555 65.178 5.763 -19.410 1.00 0.00 C ATOM 553 CG GLN A 555 66.326 5.329 -20.323 1.00 0.00 C ATOM 554 CD GLN A 555 65.858 4.226 -21.267 1.00 0.00 C ATOM 555 OE1 GLN A 555 65.037 3.389 -20.890 1.00 0.00 O ATOM 556 NE2 GLN A 555 66.332 4.175 -22.482 1.00 0.00 N ATOM 0 H GLN A 555 66.781 5.261 -17.614 1.00 0.00 H new ATOM 0 HA GLN A 555 66.180 7.632 -19.000 1.00 0.00 H new ATOM 0 HB2 GLN A 555 64.800 4.907 -18.851 1.00 0.00 H new ATOM 0 HB3 GLN A 555 64.350 6.145 -20.006 1.00 0.00 H new ATOM 0 HG2 GLN A 555 66.686 6.182 -20.898 1.00 0.00 H new ATOM 0 HG3 GLN A 555 67.164 4.973 -19.723 1.00 0.00 H new ATOM 0 HE21 GLN A 555 67.012 4.868 -22.794 1.00 0.00 H new ATOM 0 HE22 GLN A 555 66.022 3.442 -23.120 1.00 0.00 H new ATOM 565 N ALA A 556 64.059 6.820 -16.619 1.00 0.00 N ATOM 566 CA ALA A 556 62.927 7.312 -15.831 1.00 0.00 C ATOM 567 C ALA A 556 63.209 8.701 -15.265 1.00 0.00 C ATOM 568 O ALA A 556 62.297 9.521 -15.140 1.00 0.00 O ATOM 569 CB ALA A 556 62.627 6.347 -14.682 1.00 0.00 C ATOM 0 H ALA A 556 64.483 5.965 -16.259 1.00 0.00 H new ATOM 0 HA ALA A 556 62.063 7.376 -16.493 1.00 0.00 H new ATOM 0 HB1 ALA A 556 61.784 6.722 -14.102 1.00 0.00 H new ATOM 0 HB2 ALA A 556 62.381 5.365 -15.086 1.00 0.00 H new ATOM 0 HB3 ALA A 556 63.502 6.265 -14.038 1.00 0.00 H new ATOM 575 N GLN A 557 64.471 8.960 -14.923 1.00 0.00 N ATOM 576 CA GLN A 557 64.867 10.286 -14.449 1.00 0.00 C ATOM 577 C GLN A 557 64.733 11.303 -15.578 1.00 0.00 C ATOM 578 O GLN A 557 64.262 12.422 -15.371 1.00 0.00 O ATOM 579 CB GLN A 557 66.318 10.254 -13.957 1.00 0.00 C ATOM 580 CG GLN A 557 66.633 11.545 -13.198 1.00 0.00 C ATOM 581 CD GLN A 557 65.934 11.537 -11.843 1.00 0.00 C ATOM 582 OE1 GLN A 557 66.213 10.680 -11.005 1.00 0.00 O ATOM 583 NE2 GLN A 557 65.037 12.446 -11.576 1.00 0.00 N ATOM 0 H GLN A 557 65.229 8.278 -14.964 1.00 0.00 H new ATOM 0 HA GLN A 557 64.215 10.575 -13.625 1.00 0.00 H new ATOM 0 HB2 GLN A 557 66.473 9.392 -13.308 1.00 0.00 H new ATOM 0 HB3 GLN A 557 66.997 10.143 -14.803 1.00 0.00 H new ATOM 0 HG2 GLN A 557 67.710 11.642 -13.060 1.00 0.00 H new ATOM 0 HG3 GLN A 557 66.307 12.407 -13.780 1.00 0.00 H new ATOM 0 HE21 GLN A 557 64.807 13.156 -12.272 1.00 0.00 H new ATOM 0 HE22 GLN A 557 64.566 12.447 -10.671 1.00 0.00 H new ATOM 592 N GLN A 558 65.154 10.895 -16.775 1.00 0.00 N ATOM 593 CA GLN A 558 65.027 11.741 -17.960 1.00 0.00 C ATOM 594 C GLN A 558 63.560 11.919 -18.348 1.00 0.00 C ATOM 595 O GLN A 558 63.161 12.991 -18.805 1.00 0.00 O ATOM 596 CB GLN A 558 65.792 11.119 -19.131 1.00 0.00 C ATOM 597 CG GLN A 558 67.283 11.057 -18.793 1.00 0.00 C ATOM 598 CD GLN A 558 68.068 10.530 -19.989 1.00 0.00 C ATOM 599 OE1 GLN A 558 68.325 11.271 -20.939 1.00 0.00 O ATOM 600 NE2 GLN A 558 68.466 9.288 -20.001 1.00 0.00 N ATOM 0 H GLN A 558 65.584 9.987 -16.949 1.00 0.00 H new ATOM 0 HA GLN A 558 65.448 12.719 -17.726 1.00 0.00 H new ATOM 0 HB2 GLN A 558 65.413 10.118 -19.336 1.00 0.00 H new ATOM 0 HB3 GLN A 558 65.638 11.709 -20.034 1.00 0.00 H new ATOM 0 HG2 GLN A 558 67.644 12.049 -18.519 1.00 0.00 H new ATOM 0 HG3 GLN A 558 67.442 10.411 -17.930 1.00 0.00 H new ATOM 0 HE21 GLN A 558 68.252 8.676 -19.213 1.00 0.00 H new ATOM 0 HE22 GLN A 558 68.991 8.928 -20.798 1.00 0.00 H new ATOM 609 N ASN A 559 62.762 10.865 -18.164 1.00 0.00 N ATOM 610 CA ASN A 559 61.354 10.901 -18.552 1.00 0.00 C ATOM 611 C ASN A 559 60.586 9.742 -17.901 1.00 0.00 C ATOM 612 O ASN A 559 60.978 8.584 -18.047 1.00 0.00 O ATOM 613 CB ASN A 559 61.241 10.799 -20.073 1.00 0.00 C ATOM 614 CG ASN A 559 59.933 11.426 -20.545 1.00 0.00 C ATOM 615 OD1 ASN A 559 58.880 10.793 -20.481 1.00 0.00 O ATOM 616 ND2 ASN A 559 59.938 12.643 -21.018 1.00 0.00 N ATOM 0 H ASN A 559 63.066 9.983 -17.752 1.00 0.00 H new ATOM 0 HA ASN A 559 60.921 11.842 -18.212 1.00 0.00 H new ATOM 0 HB2 ASN A 559 62.085 11.303 -20.543 1.00 0.00 H new ATOM 0 HB3 ASN A 559 61.284 9.754 -20.379 1.00 0.00 H new ATOM 0 HD21 ASN A 559 59.068 13.070 -21.335 1.00 0.00 H new ATOM 0 HD22 ASN A 559 60.812 13.166 -21.070 1.00 0.00 H new ATOM 623 N PRO A 560 59.478 10.020 -17.242 1.00 0.00 N ATOM 624 CA PRO A 560 58.796 8.999 -16.382 1.00 0.00 C ATOM 625 C PRO A 560 58.157 7.865 -17.191 1.00 0.00 C ATOM 626 O PRO A 560 57.896 6.787 -16.654 1.00 0.00 O ATOM 627 CB PRO A 560 57.732 9.804 -15.635 1.00 0.00 C ATOM 628 CG PRO A 560 57.413 10.953 -16.528 1.00 0.00 C ATOM 629 CD PRO A 560 58.690 11.271 -17.302 1.00 0.00 C ATOM 0 HA PRO A 560 59.503 8.496 -15.723 1.00 0.00 H new ATOM 0 HB2 PRO A 560 56.846 9.200 -15.439 1.00 0.00 H new ATOM 0 HB3 PRO A 560 58.104 10.147 -14.669 1.00 0.00 H new ATOM 0 HG2 PRO A 560 56.600 10.701 -17.209 1.00 0.00 H new ATOM 0 HG3 PRO A 560 57.087 11.816 -15.948 1.00 0.00 H new ATOM 0 HD2 PRO A 560 58.471 11.553 -18.332 1.00 0.00 H new ATOM 0 HD3 PRO A 560 59.231 12.103 -16.852 1.00 0.00 H new ATOM 637 N ALA A 561 57.909 8.112 -18.477 1.00 0.00 N ATOM 638 CA ALA A 561 57.250 7.120 -19.331 1.00 0.00 C ATOM 639 C ALA A 561 58.143 5.897 -19.572 1.00 0.00 C ATOM 640 O ALA A 561 57.645 4.809 -19.872 1.00 0.00 O ATOM 641 CB ALA A 561 56.881 7.752 -20.675 1.00 0.00 C ATOM 0 H ALA A 561 58.152 8.983 -18.949 1.00 0.00 H new ATOM 0 HA ALA A 561 56.349 6.787 -18.815 1.00 0.00 H new ATOM 0 HB1 ALA A 561 56.392 7.009 -21.304 1.00 0.00 H new ATOM 0 HB2 ALA A 561 56.204 8.590 -20.509 1.00 0.00 H new ATOM 0 HB3 ALA A 561 57.785 8.108 -21.170 1.00 0.00 H new ATOM 647 N ALA A 562 59.457 6.065 -19.402 1.00 0.00 N ATOM 648 CA ALA A 562 60.410 5.041 -19.827 1.00 0.00 C ATOM 649 C ALA A 562 60.227 3.754 -19.024 1.00 0.00 C ATOM 650 O ALA A 562 60.022 2.678 -19.594 1.00 0.00 O ATOM 651 CB ALA A 562 61.841 5.554 -19.649 1.00 0.00 C ATOM 0 H ALA A 562 59.880 6.891 -18.978 1.00 0.00 H new ATOM 0 HA ALA A 562 60.226 4.823 -20.879 1.00 0.00 H new ATOM 0 HB1 ALA A 562 62.545 4.786 -19.968 1.00 0.00 H new ATOM 0 HB2 ALA A 562 61.984 6.450 -20.253 1.00 0.00 H new ATOM 0 HB3 ALA A 562 62.014 5.792 -18.600 1.00 0.00 H new ATOM 657 N LEU A 563 60.228 3.873 -17.698 1.00 0.00 N ATOM 658 CA LEU A 563 60.141 2.688 -16.850 1.00 0.00 C ATOM 659 C LEU A 563 58.760 2.040 -16.952 1.00 0.00 C ATOM 660 O LEU A 563 58.626 0.829 -16.779 1.00 0.00 O ATOM 661 CB LEU A 563 60.496 3.004 -15.380 1.00 0.00 C ATOM 662 CG LEU A 563 59.773 4.253 -14.843 1.00 0.00 C ATOM 663 CD1 LEU A 563 58.271 3.982 -14.667 1.00 0.00 C ATOM 664 CD2 LEU A 563 60.389 4.623 -13.489 1.00 0.00 C ATOM 0 H LEU A 563 60.287 4.759 -17.196 1.00 0.00 H new ATOM 0 HA LEU A 563 60.880 1.975 -17.216 1.00 0.00 H new ATOM 0 HB2 LEU A 563 60.240 2.147 -14.758 1.00 0.00 H new ATOM 0 HB3 LEU A 563 61.573 3.149 -15.295 1.00 0.00 H new ATOM 0 HG LEU A 563 59.889 5.071 -15.554 1.00 0.00 H new ATOM 0 HD11 LEU A 563 57.782 4.879 -14.287 1.00 0.00 H new ATOM 0 HD12 LEU A 563 57.835 3.711 -15.629 1.00 0.00 H new ATOM 0 HD13 LEU A 563 58.129 3.164 -13.961 1.00 0.00 H new ATOM 0 HD21 LEU A 563 59.890 5.507 -13.091 1.00 0.00 H new ATOM 0 HD22 LEU A 563 60.265 3.793 -12.794 1.00 0.00 H new ATOM 0 HD23 LEU A 563 61.451 4.833 -13.618 1.00 0.00 H new ATOM 676 N GLN A 564 57.730 2.845 -17.239 1.00 0.00 N ATOM 677 CA GLN A 564 56.365 2.325 -17.328 1.00 0.00 C ATOM 678 C GLN A 564 56.260 1.266 -18.425 1.00 0.00 C ATOM 679 O GLN A 564 55.952 0.106 -18.145 1.00 0.00 O ATOM 680 CB GLN A 564 55.388 3.466 -17.626 1.00 0.00 C ATOM 681 CG GLN A 564 53.953 2.988 -17.391 1.00 0.00 C ATOM 682 CD GLN A 564 52.965 4.116 -17.681 1.00 0.00 C ATOM 683 OE1 GLN A 564 53.294 5.292 -17.522 1.00 0.00 O ATOM 684 NE2 GLN A 564 51.765 3.825 -18.101 1.00 0.00 N ATOM 0 H GLN A 564 57.816 3.847 -17.411 1.00 0.00 H new ATOM 0 HA GLN A 564 56.111 1.867 -16.372 1.00 0.00 H new ATOM 0 HB2 GLN A 564 55.606 4.321 -16.987 1.00 0.00 H new ATOM 0 HB3 GLN A 564 55.507 3.800 -18.657 1.00 0.00 H new ATOM 0 HG2 GLN A 564 53.738 2.133 -18.032 1.00 0.00 H new ATOM 0 HG3 GLN A 564 53.839 2.651 -16.361 1.00 0.00 H new ATOM 0 HE21 GLN A 564 51.493 2.851 -18.233 1.00 0.00 H new ATOM 0 HE22 GLN A 564 51.099 4.572 -18.298 1.00 0.00 H new ATOM 693 N GLU A 565 56.693 1.622 -19.636 1.00 0.00 N ATOM 694 CA GLU A 565 56.639 0.688 -20.765 1.00 0.00 C ATOM 695 C GLU A 565 57.497 -0.551 -20.496 1.00 0.00 C ATOM 696 O GLU A 565 57.220 -1.633 -21.017 1.00 0.00 O ATOM 697 CB GLU A 565 57.112 1.380 -22.049 1.00 0.00 C ATOM 698 CG GLU A 565 58.522 1.947 -21.859 1.00 0.00 C ATOM 699 CD GLU A 565 59.129 2.302 -23.212 1.00 0.00 C ATOM 700 OE1 GLU A 565 59.005 1.502 -24.124 1.00 0.00 O ATOM 701 OE2 GLU A 565 59.708 3.372 -23.317 1.00 0.00 O ATOM 0 H GLU A 565 57.081 2.538 -19.860 1.00 0.00 H new ATOM 0 HA GLU A 565 55.604 0.369 -20.889 1.00 0.00 H new ATOM 0 HB2 GLU A 565 57.107 0.670 -22.876 1.00 0.00 H new ATOM 0 HB3 GLU A 565 56.423 2.182 -22.313 1.00 0.00 H new ATOM 0 HG2 GLU A 565 58.484 2.833 -21.225 1.00 0.00 H new ATOM 0 HG3 GLU A 565 59.151 1.217 -21.350 1.00 0.00 H new ATOM 708 N HIS A 566 58.537 -0.379 -19.683 1.00 0.00 N ATOM 709 CA HIS A 566 59.384 -1.502 -19.284 1.00 0.00 C ATOM 710 C HIS A 566 58.613 -2.483 -18.399 1.00 0.00 C ATOM 711 O HIS A 566 58.632 -3.688 -18.640 1.00 0.00 O ATOM 712 CB HIS A 566 60.616 -0.988 -18.541 1.00 0.00 C ATOM 713 CG HIS A 566 61.711 -0.539 -19.472 1.00 0.00 C ATOM 714 ND1 HIS A 566 61.975 0.801 -19.708 1.00 0.00 N ATOM 715 CD2 HIS A 566 62.595 -1.239 -20.255 1.00 0.00 C ATOM 716 CE1 HIS A 566 62.979 0.865 -20.602 1.00 0.00 C ATOM 717 NE2 HIS A 566 63.394 -0.351 -20.969 1.00 0.00 N ATOM 0 H HIS A 566 58.813 0.521 -19.290 1.00 0.00 H new ATOM 0 HA HIS A 566 59.699 -2.029 -20.185 1.00 0.00 H new ATOM 0 HB2 HIS A 566 60.327 -0.156 -17.899 1.00 0.00 H new ATOM 0 HB3 HIS A 566 60.998 -1.775 -17.891 1.00 0.00 H new ATOM 0 HD1 HIS A 566 61.496 1.594 -19.282 1.00 0.00 H new ATOM 0 HD2 HIS A 566 62.660 -2.316 -20.309 1.00 0.00 H new ATOM 0 HE1 HIS A 566 63.398 1.787 -20.977 1.00 0.00 H new ATOM 725 N MET A 567 57.888 -1.955 -17.411 1.00 0.00 N ATOM 726 CA MET A 567 57.183 -2.800 -16.447 1.00 0.00 C ATOM 727 C MET A 567 56.115 -3.647 -17.140 1.00 0.00 C ATOM 728 O MET A 567 55.869 -4.788 -16.746 1.00 0.00 O ATOM 729 CB MET A 567 56.524 -1.927 -15.373 1.00 0.00 C ATOM 730 CG MET A 567 56.084 -2.803 -14.198 1.00 0.00 C ATOM 731 SD MET A 567 55.169 -1.797 -13.005 1.00 0.00 S ATOM 732 CE MET A 567 56.525 -0.686 -12.558 1.00 0.00 C ATOM 0 H MET A 567 57.774 -0.953 -17.258 1.00 0.00 H new ATOM 0 HA MET A 567 57.910 -3.467 -15.984 1.00 0.00 H new ATOM 0 HB2 MET A 567 57.224 -1.165 -15.030 1.00 0.00 H new ATOM 0 HB3 MET A 567 55.664 -1.404 -15.792 1.00 0.00 H new ATOM 0 HG2 MET A 567 55.459 -3.621 -14.555 1.00 0.00 H new ATOM 0 HG3 MET A 567 56.954 -3.252 -13.719 1.00 0.00 H new ATOM 0 HE1 MET A 567 56.379 -0.326 -11.540 1.00 0.00 H new ATOM 0 HE2 MET A 567 57.471 -1.223 -12.621 1.00 0.00 H new ATOM 0 HE3 MET A 567 56.542 0.161 -13.244 1.00 0.00 H new ATOM 742 N LYS A 568 55.500 -3.091 -18.184 1.00 0.00 N ATOM 743 CA LYS A 568 54.466 -3.815 -18.925 1.00 0.00 C ATOM 744 C LYS A 568 55.075 -4.993 -19.685 1.00 0.00 C ATOM 745 O LYS A 568 54.435 -6.034 -19.845 1.00 0.00 O ATOM 746 CB LYS A 568 53.764 -2.874 -19.907 1.00 0.00 C ATOM 747 CG LYS A 568 53.020 -1.786 -19.129 1.00 0.00 C ATOM 748 CD LYS A 568 52.338 -0.831 -20.110 1.00 0.00 C ATOM 749 CE LYS A 568 51.134 -1.528 -20.749 1.00 0.00 C ATOM 750 NZ LYS A 568 50.178 -0.503 -21.256 1.00 0.00 N ATOM 0 H LYS A 568 55.696 -2.153 -18.533 1.00 0.00 H new ATOM 0 HA LYS A 568 53.737 -4.197 -18.211 1.00 0.00 H new ATOM 0 HB2 LYS A 568 54.494 -2.421 -20.578 1.00 0.00 H new ATOM 0 HB3 LYS A 568 53.065 -3.435 -20.528 1.00 0.00 H new ATOM 0 HG2 LYS A 568 52.278 -2.238 -18.470 1.00 0.00 H new ATOM 0 HG3 LYS A 568 53.716 -1.237 -18.495 1.00 0.00 H new ATOM 0 HD2 LYS A 568 52.016 0.071 -19.591 1.00 0.00 H new ATOM 0 HD3 LYS A 568 53.043 -0.520 -20.881 1.00 0.00 H new ATOM 0 HE2 LYS A 568 51.463 -2.170 -21.566 1.00 0.00 H new ATOM 0 HE3 LYS A 568 50.642 -2.170 -20.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 49.360 -0.976 -21.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 49.855 0.091 -20.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 50.651 0.092 -21.966 1.00 0.00 H new ATOM 764 N ASN A 569 56.313 -4.820 -20.150 1.00 0.00 N ATOM 765 CA ASN A 569 57.033 -5.897 -20.835 1.00 0.00 C ATOM 766 C ASN A 569 57.284 -7.071 -19.877 1.00 0.00 C ATOM 767 O ASN A 569 57.702 -6.859 -18.738 1.00 0.00 O ATOM 768 CB ASN A 569 58.372 -5.367 -21.364 1.00 0.00 C ATOM 769 CG ASN A 569 58.782 -6.120 -22.626 1.00 0.00 C ATOM 770 OD1 ASN A 569 59.890 -6.650 -22.702 1.00 0.00 O ATOM 771 ND2 ASN A 569 57.947 -6.201 -23.627 1.00 0.00 N ATOM 0 H ASN A 569 56.837 -3.949 -20.066 1.00 0.00 H new ATOM 0 HA ASN A 569 56.425 -6.250 -21.668 1.00 0.00 H new ATOM 0 HB2 ASN A 569 58.289 -4.302 -21.580 1.00 0.00 H new ATOM 0 HB3 ASN A 569 59.142 -5.479 -20.600 1.00 0.00 H new ATOM 0 HD21 ASN A 569 58.213 -6.704 -24.473 1.00 0.00 H new ATOM 0 HD22 ASN A 569 57.029 -5.761 -23.562 1.00 0.00 H new ATOM 778 N PRO A 570 57.049 -8.296 -20.312 1.00 0.00 N ATOM 779 CA PRO A 570 57.035 -9.469 -19.382 1.00 0.00 C ATOM 780 C PRO A 570 58.410 -9.758 -18.782 1.00 0.00 C ATOM 781 O PRO A 570 58.533 -9.989 -17.577 1.00 0.00 O ATOM 782 CB PRO A 570 56.560 -10.635 -20.256 1.00 0.00 C ATOM 783 CG PRO A 570 56.904 -10.248 -21.652 1.00 0.00 C ATOM 784 CD PRO A 570 56.834 -8.724 -21.711 1.00 0.00 C ATOM 0 HA PRO A 570 56.390 -9.290 -18.522 1.00 0.00 H new ATOM 0 HB2 PRO A 570 57.054 -11.565 -19.973 1.00 0.00 H new ATOM 0 HB3 PRO A 570 55.488 -10.797 -20.146 1.00 0.00 H new ATOM 0 HG2 PRO A 570 57.901 -10.601 -21.918 1.00 0.00 H new ATOM 0 HG3 PRO A 570 56.208 -10.696 -22.361 1.00 0.00 H new ATOM 0 HD2 PRO A 570 57.597 -8.316 -22.374 1.00 0.00 H new ATOM 0 HD3 PRO A 570 55.869 -8.384 -22.088 1.00 0.00 H new ATOM 792 N GLU A 571 59.450 -9.686 -19.614 1.00 0.00 N ATOM 793 CA GLU A 571 60.799 -10.025 -19.163 1.00 0.00 C ATOM 794 C GLU A 571 61.291 -8.980 -18.167 1.00 0.00 C ATOM 795 O GLU A 571 61.816 -9.316 -17.099 1.00 0.00 O ATOM 796 CB GLU A 571 61.754 -10.094 -20.360 1.00 0.00 C ATOM 797 CG GLU A 571 63.084 -10.714 -19.924 1.00 0.00 C ATOM 798 CD GLU A 571 64.081 -10.681 -21.078 1.00 0.00 C ATOM 799 OE1 GLU A 571 64.139 -9.670 -21.758 1.00 0.00 O ATOM 800 OE2 GLU A 571 64.774 -11.668 -21.264 1.00 0.00 O ATOM 0 H GLU A 571 59.386 -9.400 -20.591 1.00 0.00 H new ATOM 0 HA GLU A 571 60.773 -11.000 -18.675 1.00 0.00 H new ATOM 0 HB2 GLU A 571 61.309 -10.688 -21.159 1.00 0.00 H new ATOM 0 HB3 GLU A 571 61.922 -9.095 -20.762 1.00 0.00 H new ATOM 0 HG2 GLU A 571 63.486 -10.168 -19.070 1.00 0.00 H new ATOM 0 HG3 GLU A 571 62.926 -11.742 -19.599 1.00 0.00 H new ATOM 807 N VAL A 572 61.028 -7.716 -18.477 1.00 0.00 N ATOM 808 CA VAL A 572 61.411 -6.633 -17.582 1.00 0.00 C ATOM 809 C VAL A 572 60.496 -6.630 -16.358 1.00 0.00 C ATOM 810 O VAL A 572 60.938 -6.325 -15.258 1.00 0.00 O ATOM 811 CB VAL A 572 61.339 -5.285 -18.311 1.00 0.00 C ATOM 812 CG1 VAL A 572 61.790 -4.155 -17.376 1.00 0.00 C ATOM 813 CG2 VAL A 572 62.257 -5.316 -19.536 1.00 0.00 C ATOM 0 H VAL A 572 60.557 -7.419 -19.331 1.00 0.00 H new ATOM 0 HA VAL A 572 62.439 -6.788 -17.255 1.00 0.00 H new ATOM 0 HB VAL A 572 60.310 -5.107 -18.622 1.00 0.00 H new ATOM 0 HG11 VAL A 572 61.735 -3.203 -17.903 1.00 0.00 H new ATOM 0 HG12 VAL A 572 61.139 -4.124 -16.502 1.00 0.00 H new ATOM 0 HG13 VAL A 572 62.817 -4.334 -17.057 1.00 0.00 H new ATOM 0 HG21 VAL A 572 62.205 -4.358 -20.054 1.00 0.00 H new ATOM 0 HG22 VAL A 572 63.283 -5.502 -19.217 1.00 0.00 H new ATOM 0 HG23 VAL A 572 61.937 -6.110 -20.210 1.00 0.00 H new ATOM 823 N PHE A 573 59.231 -7.019 -16.545 1.00 0.00 N ATOM 824 CA PHE A 573 58.270 -7.055 -15.435 1.00 0.00 C ATOM 825 C PHE A 573 58.817 -7.880 -14.267 1.00 0.00 C ATOM 826 O PHE A 573 58.823 -7.420 -13.125 1.00 0.00 O ATOM 827 CB PHE A 573 56.944 -7.656 -15.924 1.00 0.00 C ATOM 828 CG PHE A 573 55.882 -7.779 -14.849 1.00 0.00 C ATOM 829 CD1 PHE A 573 55.265 -6.618 -14.322 1.00 0.00 C ATOM 830 CD2 PHE A 573 55.501 -9.059 -14.378 1.00 0.00 C ATOM 831 CE1 PHE A 573 54.268 -6.739 -13.323 1.00 0.00 C ATOM 832 CE2 PHE A 573 54.506 -9.179 -13.378 1.00 0.00 C ATOM 833 CZ PHE A 573 53.890 -8.019 -12.851 1.00 0.00 C ATOM 0 H PHE A 573 58.850 -7.311 -17.445 1.00 0.00 H new ATOM 0 HA PHE A 573 58.103 -6.036 -15.085 1.00 0.00 H new ATOM 0 HB2 PHE A 573 56.555 -7.039 -16.734 1.00 0.00 H new ATOM 0 HB3 PHE A 573 57.138 -8.644 -16.342 1.00 0.00 H new ATOM 0 HD1 PHE A 573 55.554 -5.642 -14.681 1.00 0.00 H new ATOM 0 HD2 PHE A 573 55.970 -9.944 -14.782 1.00 0.00 H new ATOM 0 HE1 PHE A 573 53.796 -5.854 -12.921 1.00 0.00 H new ATOM 0 HE2 PHE A 573 54.217 -10.155 -13.018 1.00 0.00 H new ATOM 0 HZ PHE A 573 53.131 -8.110 -12.088 1.00 0.00 H new ATOM 843 N LYS A 574 59.332 -9.072 -14.573 1.00 0.00 N ATOM 844 CA LYS A 574 59.922 -9.933 -13.545 1.00 0.00 C ATOM 845 C LYS A 574 61.104 -9.241 -12.861 1.00 0.00 C ATOM 846 O LYS A 574 61.169 -9.172 -11.634 1.00 0.00 O ATOM 847 CB LYS A 574 60.401 -11.242 -14.178 1.00 0.00 C ATOM 848 CG LYS A 574 59.206 -11.992 -14.767 1.00 0.00 C ATOM 849 CD LYS A 574 59.669 -13.344 -15.314 1.00 0.00 C ATOM 850 CE LYS A 574 58.509 -14.025 -16.043 1.00 0.00 C ATOM 851 NZ LYS A 574 58.910 -15.406 -16.433 1.00 0.00 N ATOM 0 H LYS A 574 59.353 -9.461 -15.516 1.00 0.00 H new ATOM 0 HA LYS A 574 59.158 -10.140 -12.796 1.00 0.00 H new ATOM 0 HB2 LYS A 574 61.134 -11.034 -14.958 1.00 0.00 H new ATOM 0 HB3 LYS A 574 60.898 -11.859 -13.430 1.00 0.00 H new ATOM 0 HG2 LYS A 574 58.443 -12.139 -14.002 1.00 0.00 H new ATOM 0 HG3 LYS A 574 58.750 -11.403 -15.563 1.00 0.00 H new ATOM 0 HD2 LYS A 574 60.508 -13.204 -15.995 1.00 0.00 H new ATOM 0 HD3 LYS A 574 60.022 -13.976 -14.499 1.00 0.00 H new ATOM 0 HE2 LYS A 574 57.630 -14.058 -15.399 1.00 0.00 H new ATOM 0 HE3 LYS A 574 58.234 -13.451 -16.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 574 58.122 -15.869 -16.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 574 59.737 -15.363 -17.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 574 59.151 -15.951 -15.581 1.00 0.00 H new ATOM 865 N LYS A 575 61.998 -8.670 -13.668 1.00 0.00 N ATOM 866 CA LYS A 575 63.227 -8.068 -13.143 1.00 0.00 C ATOM 867 C LYS A 575 62.924 -6.857 -12.253 1.00 0.00 C ATOM 868 O LYS A 575 63.369 -6.790 -11.101 1.00 0.00 O ATOM 869 CB LYS A 575 64.122 -7.634 -14.304 1.00 0.00 C ATOM 870 CG LYS A 575 64.764 -8.867 -14.943 1.00 0.00 C ATOM 871 CD LYS A 575 65.758 -8.426 -16.020 1.00 0.00 C ATOM 872 CE LYS A 575 66.329 -9.657 -16.725 1.00 0.00 C ATOM 873 NZ LYS A 575 66.833 -9.269 -18.072 1.00 0.00 N ATOM 0 H LYS A 575 61.897 -8.611 -14.681 1.00 0.00 H new ATOM 0 HA LYS A 575 63.736 -8.817 -12.536 1.00 0.00 H new ATOM 0 HB2 LYS A 575 63.536 -7.091 -15.045 1.00 0.00 H new ATOM 0 HB3 LYS A 575 64.894 -6.953 -13.947 1.00 0.00 H new ATOM 0 HG2 LYS A 575 65.274 -9.459 -14.183 1.00 0.00 H new ATOM 0 HG3 LYS A 575 63.996 -9.504 -15.381 1.00 0.00 H new ATOM 0 HD2 LYS A 575 65.263 -7.777 -16.743 1.00 0.00 H new ATOM 0 HD3 LYS A 575 66.564 -7.846 -15.570 1.00 0.00 H new ATOM 0 HE2 LYS A 575 67.137 -10.086 -16.133 1.00 0.00 H new ATOM 0 HE3 LYS A 575 65.561 -10.424 -16.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 575 66.449 -9.919 -18.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 575 66.531 -8.298 -18.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 575 67.872 -9.318 -18.081 1.00 0.00 H new ATOM 887 N ILE A 576 62.138 -5.921 -12.781 1.00 0.00 N ATOM 888 CA ILE A 576 61.807 -4.687 -12.056 1.00 0.00 C ATOM 889 C ILE A 576 61.175 -5.023 -10.693 1.00 0.00 C ATOM 890 O ILE A 576 61.626 -4.543 -9.649 1.00 0.00 O ATOM 891 CB ILE A 576 60.832 -3.827 -12.894 1.00 0.00 C ATOM 892 CG1 ILE A 576 61.447 -3.513 -14.279 1.00 0.00 C ATOM 893 CG2 ILE A 576 60.496 -2.521 -12.154 1.00 0.00 C ATOM 894 CD1 ILE A 576 62.542 -2.444 -14.186 1.00 0.00 C ATOM 0 H ILE A 576 61.717 -5.990 -13.707 1.00 0.00 H new ATOM 0 HA ILE A 576 62.724 -4.122 -11.887 1.00 0.00 H new ATOM 0 HB ILE A 576 59.911 -4.391 -13.040 1.00 0.00 H new ATOM 0 HG12 ILE A 576 61.864 -4.425 -14.707 1.00 0.00 H new ATOM 0 HG13 ILE A 576 60.663 -3.173 -14.956 1.00 0.00 H new ATOM 0 HG21 ILE A 576 59.809 -1.927 -12.757 1.00 0.00 H new ATOM 0 HG22 ILE A 576 60.030 -2.755 -11.197 1.00 0.00 H new ATOM 0 HG23 ILE A 576 61.411 -1.954 -11.983 1.00 0.00 H new ATOM 0 HD11 ILE A 576 62.948 -2.252 -15.179 1.00 0.00 H new ATOM 0 HD12 ILE A 576 62.119 -1.524 -13.783 1.00 0.00 H new ATOM 0 HD13 ILE A 576 63.338 -2.795 -13.530 1.00 0.00 H new ATOM 906 N GLN A 577 60.170 -5.901 -10.709 1.00 0.00 N ATOM 907 CA GLN A 577 59.453 -6.268 -9.483 1.00 0.00 C ATOM 908 C GLN A 577 60.395 -6.866 -8.435 1.00 0.00 C ATOM 909 O GLN A 577 60.278 -6.566 -7.248 1.00 0.00 O ATOM 910 CB GLN A 577 58.350 -7.279 -9.805 1.00 0.00 C ATOM 911 CG GLN A 577 57.223 -6.580 -10.565 1.00 0.00 C ATOM 912 CD GLN A 577 56.019 -7.508 -10.676 1.00 0.00 C ATOM 913 OE1 GLN A 577 56.144 -8.633 -11.160 1.00 0.00 O ATOM 914 NE2 GLN A 577 54.852 -7.101 -10.253 1.00 0.00 N ATOM 0 H GLN A 577 59.835 -6.369 -11.551 1.00 0.00 H new ATOM 0 HA GLN A 577 59.017 -5.357 -9.072 1.00 0.00 H new ATOM 0 HB2 GLN A 577 58.754 -8.096 -10.403 1.00 0.00 H new ATOM 0 HB3 GLN A 577 57.965 -7.718 -8.885 1.00 0.00 H new ATOM 0 HG2 GLN A 577 56.940 -5.662 -10.050 1.00 0.00 H new ATOM 0 HG3 GLN A 577 57.566 -6.294 -11.559 1.00 0.00 H new ATOM 0 HE21 GLN A 577 54.752 -6.168 -9.852 1.00 0.00 H new ATOM 0 HE22 GLN A 577 54.041 -7.716 -10.323 1.00 0.00 H new ATOM 923 N THR A 578 61.333 -7.706 -8.881 1.00 0.00 N ATOM 924 CA THR A 578 62.234 -8.407 -7.962 1.00 0.00 C ATOM 925 C THR A 578 62.988 -7.426 -7.061 1.00 0.00 C ATOM 926 O THR A 578 62.962 -7.562 -5.836 1.00 0.00 O ATOM 927 CB THR A 578 63.239 -9.256 -8.754 1.00 0.00 C ATOM 928 OG1 THR A 578 62.537 -10.055 -9.695 1.00 0.00 O ATOM 929 CG2 THR A 578 64.030 -10.167 -7.807 1.00 0.00 C ATOM 0 H THR A 578 61.488 -7.916 -9.867 1.00 0.00 H new ATOM 0 HA THR A 578 61.626 -9.054 -7.329 1.00 0.00 H new ATOM 0 HB THR A 578 63.934 -8.594 -9.270 1.00 0.00 H new ATOM 0 HG1 THR A 578 62.373 -9.534 -10.509 1.00 0.00 H new ATOM 0 HG21 THR A 578 64.738 -10.763 -8.383 1.00 0.00 H new ATOM 0 HG22 THR A 578 64.572 -9.557 -7.084 1.00 0.00 H new ATOM 0 HG23 THR A 578 63.343 -10.829 -7.281 1.00 0.00 H new ATOM 937 N LEU A 579 63.617 -6.415 -7.658 1.00 0.00 N ATOM 938 CA LEU A 579 64.437 -5.487 -6.874 1.00 0.00 C ATOM 939 C LEU A 579 63.576 -4.651 -5.926 1.00 0.00 C ATOM 940 O LEU A 579 64.012 -4.311 -4.825 1.00 0.00 O ATOM 941 CB LEU A 579 65.248 -4.553 -7.783 1.00 0.00 C ATOM 942 CG LEU A 579 66.141 -5.351 -8.756 1.00 0.00 C ATOM 943 CD1 LEU A 579 67.106 -4.387 -9.462 1.00 0.00 C ATOM 944 CD2 LEU A 579 66.961 -6.412 -8.002 1.00 0.00 C ATOM 0 H LEU A 579 63.579 -6.218 -8.658 1.00 0.00 H new ATOM 0 HA LEU A 579 65.126 -6.093 -6.286 1.00 0.00 H new ATOM 0 HB2 LEU A 579 64.570 -3.915 -8.349 1.00 0.00 H new ATOM 0 HB3 LEU A 579 65.868 -3.897 -7.172 1.00 0.00 H new ATOM 0 HG LEU A 579 65.501 -5.851 -9.483 1.00 0.00 H new ATOM 0 HD11 LEU A 579 67.739 -4.946 -10.151 1.00 0.00 H new ATOM 0 HD12 LEU A 579 66.535 -3.642 -10.017 1.00 0.00 H new ATOM 0 HD13 LEU A 579 67.729 -3.888 -8.720 1.00 0.00 H new ATOM 0 HD21 LEU A 579 67.583 -6.962 -8.709 1.00 0.00 H new ATOM 0 HD22 LEU A 579 67.597 -5.923 -7.263 1.00 0.00 H new ATOM 0 HD23 LEU A 579 66.286 -7.104 -7.499 1.00 0.00 H new ATOM 956 N ILE A 580 62.355 -4.319 -6.355 1.00 0.00 N ATOM 957 CA ILE A 580 61.451 -3.519 -5.521 1.00 0.00 C ATOM 958 C ILE A 580 61.056 -4.299 -4.261 1.00 0.00 C ATOM 959 O ILE A 580 61.146 -3.779 -3.148 1.00 0.00 O ATOM 960 CB ILE A 580 60.196 -3.135 -6.322 1.00 0.00 C ATOM 961 CG1 ILE A 580 60.613 -2.361 -7.579 1.00 0.00 C ATOM 962 CG2 ILE A 580 59.280 -2.248 -5.470 1.00 0.00 C ATOM 963 CD1 ILE A 580 59.407 -2.192 -8.508 1.00 0.00 C ATOM 0 H ILE A 580 61.973 -4.587 -7.262 1.00 0.00 H new ATOM 0 HA ILE A 580 61.969 -2.609 -5.218 1.00 0.00 H new ATOM 0 HB ILE A 580 59.661 -4.043 -6.602 1.00 0.00 H new ATOM 0 HG12 ILE A 580 61.009 -1.384 -7.301 1.00 0.00 H new ATOM 0 HG13 ILE A 580 61.411 -2.893 -8.097 1.00 0.00 H new ATOM 0 HG21 ILE A 580 58.394 -1.981 -6.046 1.00 0.00 H new ATOM 0 HG22 ILE A 580 58.980 -2.790 -4.573 1.00 0.00 H new ATOM 0 HG23 ILE A 580 59.814 -1.342 -5.185 1.00 0.00 H new ATOM 0 HD11 ILE A 580 59.709 -1.642 -9.399 1.00 0.00 H new ATOM 0 HD12 ILE A 580 59.030 -3.173 -8.797 1.00 0.00 H new ATOM 0 HD13 ILE A 580 58.623 -1.641 -7.989 1.00 0.00 H new ATOM 975 N ALA A 581 60.620 -5.544 -4.450 1.00 0.00 N ATOM 976 CA ALA A 581 60.256 -6.412 -3.329 1.00 0.00 C ATOM 977 C ALA A 581 61.454 -6.646 -2.404 1.00 0.00 C ATOM 978 O ALA A 581 61.294 -6.806 -1.193 1.00 0.00 O ATOM 979 CB ALA A 581 59.751 -7.758 -3.853 1.00 0.00 C ATOM 0 H ALA A 581 60.510 -5.975 -5.368 1.00 0.00 H new ATOM 0 HA ALA A 581 59.467 -5.918 -2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 581 59.482 -8.398 -3.013 1.00 0.00 H new ATOM 0 HB2 ALA A 581 58.875 -7.598 -4.482 1.00 0.00 H new ATOM 0 HB3 ALA A 581 60.535 -8.238 -4.438 1.00 0.00 H new ATOM 985 N ALA A 582 62.650 -6.665 -2.992 1.00 0.00 N ATOM 986 CA ALA A 582 63.879 -6.852 -2.224 1.00 0.00 C ATOM 987 C ALA A 582 64.255 -5.590 -1.433 1.00 0.00 C ATOM 988 O ALA A 582 65.187 -5.626 -0.628 1.00 0.00 O ATOM 989 CB ALA A 582 65.024 -7.228 -3.167 1.00 0.00 C ATOM 0 H ALA A 582 62.793 -6.553 -3.996 1.00 0.00 H new ATOM 0 HA ALA A 582 63.706 -7.656 -1.508 1.00 0.00 H new ATOM 0 HB1 ALA A 582 65.939 -7.367 -2.591 1.00 0.00 H new ATOM 0 HB2 ALA A 582 64.778 -8.154 -3.686 1.00 0.00 H new ATOM 0 HB3 ALA A 582 65.171 -6.431 -3.896 1.00 0.00 H new ATOM 995 N GLY A 583 63.540 -4.480 -1.656 1.00 0.00 N ATOM 996 CA GLY A 583 63.828 -3.236 -0.945 1.00 0.00 C ATOM 997 C GLY A 583 65.125 -2.590 -1.429 1.00 0.00 C ATOM 998 O GLY A 583 65.761 -1.837 -0.689 1.00 0.00 O ATOM 0 H GLY A 583 62.766 -4.421 -2.317 1.00 0.00 H new ATOM 0 HA2 GLY A 583 63.002 -2.539 -1.084 1.00 0.00 H new ATOM 0 HA3 GLY A 583 63.899 -3.437 0.124 1.00 0.00 H new ATOM 1002 N ILE A 584 65.510 -2.875 -2.674 1.00 0.00 N ATOM 1003 CA ILE A 584 66.743 -2.318 -3.232 1.00 0.00 C ATOM 1004 C ILE A 584 66.473 -0.977 -3.917 1.00 0.00 C ATOM 1005 O ILE A 584 67.351 -0.114 -3.971 1.00 0.00 O ATOM 1006 CB ILE A 584 67.374 -3.285 -4.244 1.00 0.00 C ATOM 1007 CG1 ILE A 584 67.376 -4.712 -3.674 1.00 0.00 C ATOM 1008 CG2 ILE A 584 68.816 -2.845 -4.516 1.00 0.00 C ATOM 1009 CD1 ILE A 584 67.862 -5.707 -4.734 1.00 0.00 C ATOM 0 H ILE A 584 64.992 -3.482 -3.309 1.00 0.00 H new ATOM 0 HA ILE A 584 67.436 -2.165 -2.405 1.00 0.00 H new ATOM 0 HB ILE A 584 66.797 -3.272 -5.169 1.00 0.00 H new ATOM 0 HG12 ILE A 584 68.022 -4.760 -2.797 1.00 0.00 H new ATOM 0 HG13 ILE A 584 66.372 -4.981 -3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 584 69.275 -3.525 -5.234 1.00 0.00 H new ATOM 0 HG22 ILE A 584 68.817 -1.834 -4.922 1.00 0.00 H new ATOM 0 HG23 ILE A 584 69.384 -2.863 -3.586 1.00 0.00 H new ATOM 0 HD11 ILE A 584 67.858 -6.714 -4.317 1.00 0.00 H new ATOM 0 HD12 ILE A 584 67.199 -5.670 -5.599 1.00 0.00 H new ATOM 0 HD13 ILE A 584 68.874 -5.445 -5.042 1.00 0.00 H new ATOM 1021 N ILE A 585 65.255 -0.809 -4.439 1.00 0.00 N ATOM 1022 CA ILE A 585 64.894 0.408 -5.162 1.00 0.00 C ATOM 1023 C ILE A 585 63.615 0.998 -4.568 1.00 0.00 C ATOM 1024 O ILE A 585 62.705 0.261 -4.185 1.00 0.00 O ATOM 1025 CB ILE A 585 64.691 0.091 -6.653 1.00 0.00 C ATOM 1026 CG1 ILE A 585 65.956 -0.577 -7.211 1.00 0.00 C ATOM 1027 CG2 ILE A 585 64.423 1.384 -7.433 1.00 0.00 C ATOM 1028 CD1 ILE A 585 65.681 -1.111 -8.620 1.00 0.00 C ATOM 0 H ILE A 585 64.507 -1.499 -4.374 1.00 0.00 H new ATOM 0 HA ILE A 585 65.699 1.137 -5.066 1.00 0.00 H new ATOM 0 HB ILE A 585 63.838 -0.580 -6.760 1.00 0.00 H new ATOM 0 HG12 ILE A 585 66.776 0.141 -7.238 1.00 0.00 H new ATOM 0 HG13 ILE A 585 66.267 -1.392 -6.557 1.00 0.00 H new ATOM 0 HG21 ILE A 585 64.281 1.150 -8.488 1.00 0.00 H new ATOM 0 HG22 ILE A 585 63.525 1.864 -7.044 1.00 0.00 H new ATOM 0 HG23 ILE A 585 65.272 2.058 -7.323 1.00 0.00 H new ATOM 0 HD11 ILE A 585 66.581 -1.584 -9.012 1.00 0.00 H new ATOM 0 HD12 ILE A 585 64.874 -1.843 -8.581 1.00 0.00 H new ATOM 0 HD13 ILE A 585 65.391 -0.286 -9.271 1.00 0.00 H new ATOM 1040 N ARG A 586 63.553 2.327 -4.500 1.00 0.00 N ATOM 1041 CA ARG A 586 62.402 3.003 -3.904 1.00 0.00 C ATOM 1042 C ARG A 586 61.400 3.412 -4.980 1.00 0.00 C ATOM 1043 O ARG A 586 61.733 4.162 -5.899 1.00 0.00 O ATOM 1044 CB ARG A 586 62.866 4.244 -3.140 1.00 0.00 C ATOM 1045 CG ARG A 586 63.770 3.822 -1.980 1.00 0.00 C ATOM 1046 CD ARG A 586 64.155 5.051 -1.154 1.00 0.00 C ATOM 1047 NE ARG A 586 64.863 6.023 -1.991 1.00 0.00 N ATOM 1048 CZ ARG A 586 66.126 5.834 -2.399 1.00 0.00 C ATOM 1049 NH1 ARG A 586 66.798 4.758 -2.063 1.00 0.00 N ATOM 1050 NH2 ARG A 586 66.698 6.739 -3.145 1.00 0.00 N ATOM 0 H ARG A 586 64.280 2.953 -4.847 1.00 0.00 H new ATOM 0 HA ARG A 586 61.915 2.311 -3.217 1.00 0.00 H new ATOM 0 HB2 ARG A 586 63.405 4.915 -3.809 1.00 0.00 H new ATOM 0 HB3 ARG A 586 62.004 4.794 -2.762 1.00 0.00 H new ATOM 0 HG2 ARG A 586 63.256 3.095 -1.351 1.00 0.00 H new ATOM 0 HG3 ARG A 586 64.666 3.334 -2.363 1.00 0.00 H new ATOM 0 HD2 ARG A 586 63.261 5.508 -0.731 1.00 0.00 H new ATOM 0 HD3 ARG A 586 64.787 4.752 -0.317 1.00 0.00 H new ATOM 0 HE ARG A 586 64.377 6.874 -2.274 1.00 0.00 H new ATOM 0 HH11 ARG A 586 66.360 4.045 -1.480 1.00 0.00 H new ATOM 0 HH12 ARG A 586 67.758 4.635 -2.385 1.00 0.00 H new ATOM 0 HH21 ARG A 586 66.185 7.579 -3.412 1.00 0.00 H new ATOM 0 HH22 ARG A 586 67.659 6.606 -3.462 1.00 0.00 H new