USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 842 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 600 THR OG1 : rot -74:sc= -0.705! USER MOD Set 1.2: A 605 GLN : amide:sc= -0.304 K(o=-1,f=-1.9) USER MOD Single : A 521 THR OG1 : rot 180:sc= -0.0487 USER MOD Single : A 530 GLN : amide:sc= -0.821 X(o=-0.82,f=-1.1) USER MOD Single : A 531 HIS :FLIP no HE2:sc= 0.159 F(o=-0.62,f=0.16) USER MOD Single : A 540 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 LYS NZ :NH3+ -162:sc= -0.0733 (180deg=-0.475) USER MOD Single : A 543 SER OG : rot 180:sc= 0 USER MOD Single : A 544 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 547 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 550 THR OG1 : rot 107:sc= 0.871 USER MOD Single : A 552 TYR OH : rot 180:sc= -0.179 USER MOD Single : A 553 TYR OH : rot 57:sc= 0.614 USER MOD Single : A 556 CYS SG : rot 180:sc= -0.0892 USER MOD Single : A 558 LYS NZ :NH3+ 154:sc= -0.11 (180deg=-0.572) USER MOD Single : A 560 MET CE :methyl 149:sc= -0.684 (180deg=-1.75!) USER MOD Single : A 561 LYS NZ :NH3+ -172:sc= 1.14 (180deg=1.08) USER MOD Single : A 562 GLN : amide:sc= -1.13 K(o=-1.1,f=-1.8) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 569 TYR OH : rot 150:sc= 0 USER MOD Single : A 571 SER OG : rot 79:sc= 1.3 USER MOD Single : A 573 ASN : amide:sc= 0.34 X(o=0.34,f=0) USER MOD Single : A 576 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 577 SER OG : rot 180:sc= 0 USER MOD Single : A 582 HIS : no HD1:sc= -0.208 K(o=-0.21,f=-9!) USER MOD Single : A 584 SER OG : rot 140:sc= 0 USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 589 MET CE :methyl 164:sc= -0.0249 (180deg=-0.351) USER MOD Single : A 608 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.28) USER MOD Single : A 610 SER OG : rot 180:sc= 0 USER MOD Single : A 616 SER OG : rot 180:sc= 0 USER MOD Single : A 619 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 94 N ALA A 520 -6.847 10.535 0.918 1.00 0.00 N ATOM 95 CA ALA A 520 -7.048 9.639 2.037 1.00 0.00 C ATOM 96 C ALA A 520 -6.243 10.071 3.252 1.00 0.00 C ATOM 97 O ALA A 520 -5.178 10.676 3.128 1.00 0.00 O ATOM 98 CB ALA A 520 -6.689 8.218 1.640 1.00 0.00 C ATOM 0 HA ALA A 520 -8.102 9.677 2.311 1.00 0.00 H new ATOM 0 HB1 ALA A 520 -6.844 7.553 2.489 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -7.321 7.901 0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 520 -5.643 8.179 1.334 1.00 0.00 H new ATOM 104 N THR A 521 -6.779 9.778 4.423 1.00 0.00 N ATOM 105 CA THR A 521 -6.062 9.964 5.671 1.00 0.00 C ATOM 106 C THR A 521 -5.578 8.624 6.202 1.00 0.00 C ATOM 107 O THR A 521 -6.272 7.620 6.059 1.00 0.00 O ATOM 108 CB THR A 521 -6.954 10.650 6.722 1.00 0.00 C ATOM 109 OG1 THR A 521 -8.334 10.359 6.463 1.00 0.00 O ATOM 110 CG2 THR A 521 -6.737 12.154 6.724 1.00 0.00 C ATOM 0 H THR A 521 -7.722 9.405 4.535 1.00 0.00 H new ATOM 0 HA THR A 521 -5.203 10.606 5.475 1.00 0.00 H new ATOM 0 HB THR A 521 -6.681 10.262 7.703 1.00 0.00 H new ATOM 0 HG1 THR A 521 -8.893 10.798 7.138 1.00 0.00 H new ATOM 0 HG21 THR A 521 -7.379 12.613 7.475 1.00 0.00 H new ATOM 0 HG22 THR A 521 -5.694 12.371 6.956 1.00 0.00 H new ATOM 0 HG23 THR A 521 -6.981 12.558 5.742 1.00 0.00 H new ATOM 118 N PRO A 522 -4.386 8.587 6.822 1.00 0.00 N ATOM 119 CA PRO A 522 -3.783 7.344 7.316 1.00 0.00 C ATOM 120 C PRO A 522 -4.734 6.556 8.212 1.00 0.00 C ATOM 121 O PRO A 522 -4.840 5.334 8.105 1.00 0.00 O ATOM 122 CB PRO A 522 -2.557 7.815 8.117 1.00 0.00 C ATOM 123 CG PRO A 522 -2.720 9.291 8.273 1.00 0.00 C ATOM 124 CD PRO A 522 -3.529 9.748 7.095 1.00 0.00 C ATOM 0 HA PRO A 522 -3.531 6.669 6.498 1.00 0.00 H new ATOM 0 HB2 PRO A 522 -2.510 7.321 9.088 1.00 0.00 H new ATOM 0 HB3 PRO A 522 -1.631 7.576 7.593 1.00 0.00 H new ATOM 0 HG2 PRO A 522 -3.225 9.530 9.209 1.00 0.00 H new ATOM 0 HG3 PRO A 522 -1.751 9.790 8.297 1.00 0.00 H new ATOM 0 HD2 PRO A 522 -4.114 10.638 7.327 1.00 0.00 H new ATOM 0 HD3 PRO A 522 -2.898 9.995 6.241 1.00 0.00 H new ATOM 132 N GLU A 523 -5.419 7.274 9.092 1.00 0.00 N ATOM 133 CA GLU A 523 -6.390 6.664 9.993 1.00 0.00 C ATOM 134 C GLU A 523 -7.482 5.928 9.208 1.00 0.00 C ATOM 135 O GLU A 523 -7.913 4.842 9.598 1.00 0.00 O ATOM 136 CB GLU A 523 -7.005 7.720 10.916 1.00 0.00 C ATOM 137 CG GLU A 523 -7.526 8.952 10.197 1.00 0.00 C ATOM 138 CD GLU A 523 -8.167 9.936 11.148 1.00 0.00 C ATOM 139 OE1 GLU A 523 -7.441 10.756 11.743 1.00 0.00 O ATOM 140 OE2 GLU A 523 -9.403 9.890 11.309 1.00 0.00 O ATOM 0 H GLU A 523 -5.320 8.283 9.202 1.00 0.00 H new ATOM 0 HA GLU A 523 -5.867 5.932 10.608 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -7.824 7.266 11.473 1.00 0.00 H new ATOM 0 HB3 GLU A 523 -6.256 8.029 11.645 1.00 0.00 H new ATOM 0 HG2 GLU A 523 -6.705 9.439 9.671 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -8.253 8.651 9.443 1.00 0.00 H new ATOM 147 N GLU A 524 -7.920 6.524 8.104 1.00 0.00 N ATOM 148 CA GLU A 524 -8.888 5.894 7.219 1.00 0.00 C ATOM 149 C GLU A 524 -8.253 4.751 6.429 1.00 0.00 C ATOM 150 O GLU A 524 -8.912 3.777 6.100 1.00 0.00 O ATOM 151 CB GLU A 524 -9.488 6.922 6.262 1.00 0.00 C ATOM 152 CG GLU A 524 -10.314 7.997 6.953 1.00 0.00 C ATOM 153 CD GLU A 524 -11.451 7.433 7.781 1.00 0.00 C ATOM 154 OE1 GLU A 524 -12.543 7.196 7.224 1.00 0.00 O ATOM 155 OE2 GLU A 524 -11.267 7.249 9.000 1.00 0.00 O ATOM 0 H GLU A 524 -7.616 7.449 7.801 1.00 0.00 H new ATOM 0 HA GLU A 524 -9.684 5.480 7.838 1.00 0.00 H new ATOM 0 HB2 GLU A 524 -8.682 7.399 5.704 1.00 0.00 H new ATOM 0 HB3 GLU A 524 -10.116 6.405 5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 524 -9.663 8.589 7.596 1.00 0.00 H new ATOM 0 HG3 GLU A 524 -10.721 8.673 6.201 1.00 0.00 H new ATOM 162 N VAL A 525 -6.969 4.882 6.123 1.00 0.00 N ATOM 163 CA VAL A 525 -6.262 3.871 5.337 1.00 0.00 C ATOM 164 C VAL A 525 -6.039 2.591 6.149 1.00 0.00 C ATOM 165 O VAL A 525 -6.006 1.490 5.597 1.00 0.00 O ATOM 166 CB VAL A 525 -4.904 4.399 4.823 1.00 0.00 C ATOM 167 CG1 VAL A 525 -4.188 3.341 3.997 1.00 0.00 C ATOM 168 CG2 VAL A 525 -5.089 5.669 4.007 1.00 0.00 C ATOM 0 H VAL A 525 -6.394 5.676 6.405 1.00 0.00 H new ATOM 0 HA VAL A 525 -6.894 3.640 4.479 1.00 0.00 H new ATOM 0 HB VAL A 525 -4.288 4.634 5.691 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -3.235 3.737 3.647 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -4.011 2.458 4.611 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -4.805 3.069 3.140 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -4.119 6.021 3.657 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -5.731 5.461 3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -5.551 6.437 4.628 1.00 0.00 H new ATOM 178 N ARG A 526 -5.867 2.734 7.458 1.00 0.00 N ATOM 179 CA ARG A 526 -5.759 1.570 8.335 1.00 0.00 C ATOM 180 C ARG A 526 -7.128 0.989 8.664 1.00 0.00 C ATOM 181 O ARG A 526 -7.218 -0.115 9.192 1.00 0.00 O ATOM 182 CB ARG A 526 -5.004 1.881 9.632 1.00 0.00 C ATOM 183 CG ARG A 526 -5.553 3.053 10.420 1.00 0.00 C ATOM 184 CD ARG A 526 -4.751 3.287 11.690 1.00 0.00 C ATOM 185 NE ARG A 526 -4.691 2.087 12.525 1.00 0.00 N ATOM 186 CZ ARG A 526 -5.273 1.973 13.719 1.00 0.00 C ATOM 187 NH1 ARG A 526 -5.990 2.974 14.215 1.00 0.00 N ATOM 188 NH2 ARG A 526 -5.142 0.849 14.411 1.00 0.00 N ATOM 0 H ARG A 526 -5.800 3.634 7.934 1.00 0.00 H new ATOM 0 HA ARG A 526 -5.183 0.829 7.781 1.00 0.00 H new ATOM 0 HB2 ARG A 526 -5.020 0.995 10.267 1.00 0.00 H new ATOM 0 HB3 ARG A 526 -3.960 2.081 9.390 1.00 0.00 H new ATOM 0 HG2 ARG A 526 -5.532 3.951 9.803 1.00 0.00 H new ATOM 0 HG3 ARG A 526 -6.596 2.866 10.675 1.00 0.00 H new ATOM 0 HD2 ARG A 526 -3.740 3.599 11.429 1.00 0.00 H new ATOM 0 HD3 ARG A 526 -5.199 4.102 12.258 1.00 0.00 H new ATOM 0 HE ARG A 526 -4.170 1.285 12.170 1.00 0.00 H new ATOM 0 HH11 ARG A 526 -6.098 3.837 13.682 1.00 0.00 H new ATOM 0 HH12 ARG A 526 -6.433 2.880 15.129 1.00 0.00 H new ATOM 0 HH21 ARG A 526 -4.597 0.076 14.029 1.00 0.00 H new ATOM 0 HH22 ARG A 526 -5.586 0.758 15.325 1.00 0.00 H new ATOM 202 N LEU A 527 -8.187 1.742 8.387 1.00 0.00 N ATOM 203 CA LEU A 527 -9.555 1.273 8.605 1.00 0.00 C ATOM 204 C LEU A 527 -9.787 -0.104 7.950 1.00 0.00 C ATOM 205 O LEU A 527 -10.311 -1.007 8.598 1.00 0.00 O ATOM 206 CB LEU A 527 -10.551 2.313 8.064 1.00 0.00 C ATOM 207 CG LEU A 527 -11.691 2.722 9.000 1.00 0.00 C ATOM 208 CD1 LEU A 527 -12.648 1.567 9.215 1.00 0.00 C ATOM 209 CD2 LEU A 527 -11.148 3.230 10.329 1.00 0.00 C ATOM 0 H LEU A 527 -8.125 2.687 8.008 1.00 0.00 H new ATOM 0 HA LEU A 527 -9.714 1.153 9.677 1.00 0.00 H new ATOM 0 HB2 LEU A 527 -9.994 3.210 7.794 1.00 0.00 H new ATOM 0 HB3 LEU A 527 -10.988 1.921 7.146 1.00 0.00 H new ATOM 0 HG LEU A 527 -12.241 3.536 8.528 1.00 0.00 H new ATOM 0 HD11 LEU A 527 -13.451 1.879 9.883 1.00 0.00 H new ATOM 0 HD12 LEU A 527 -13.071 1.262 8.258 1.00 0.00 H new ATOM 0 HD13 LEU A 527 -12.112 0.728 9.659 1.00 0.00 H new ATOM 0 HD21 LEU A 527 -11.978 3.514 10.976 1.00 0.00 H new ATOM 0 HD22 LEU A 527 -10.566 2.443 10.809 1.00 0.00 H new ATOM 0 HD23 LEU A 527 -10.511 4.097 10.154 1.00 0.00 H new ATOM 221 N PRO A 528 -9.400 -0.294 6.666 1.00 0.00 N ATOM 222 CA PRO A 528 -9.471 -1.606 6.008 1.00 0.00 C ATOM 223 C PRO A 528 -8.686 -2.672 6.762 1.00 0.00 C ATOM 224 O PRO A 528 -9.119 -3.818 6.862 1.00 0.00 O ATOM 225 CB PRO A 528 -8.841 -1.361 4.634 1.00 0.00 C ATOM 226 CG PRO A 528 -8.990 0.098 4.399 1.00 0.00 C ATOM 227 CD PRO A 528 -8.901 0.743 5.745 1.00 0.00 C ATOM 0 HA PRO A 528 -10.495 -1.977 5.960 1.00 0.00 H new ATOM 0 HB2 PRO A 528 -7.792 -1.658 4.622 1.00 0.00 H new ATOM 0 HB3 PRO A 528 -9.345 -1.939 3.860 1.00 0.00 H new ATOM 0 HG2 PRO A 528 -8.208 0.468 3.736 1.00 0.00 H new ATOM 0 HG3 PRO A 528 -9.944 0.321 3.922 1.00 0.00 H new ATOM 0 HD2 PRO A 528 -7.877 1.031 5.984 1.00 0.00 H new ATOM 0 HD3 PRO A 528 -9.507 1.648 5.796 1.00 0.00 H new ATOM 235 N LEU A 529 -7.547 -2.275 7.321 1.00 0.00 N ATOM 236 CA LEU A 529 -6.685 -3.196 8.055 1.00 0.00 C ATOM 237 C LEU A 529 -7.404 -3.733 9.286 1.00 0.00 C ATOM 238 O LEU A 529 -7.050 -4.784 9.823 1.00 0.00 O ATOM 239 CB LEU A 529 -5.386 -2.498 8.477 1.00 0.00 C ATOM 240 CG LEU A 529 -4.579 -1.869 7.340 1.00 0.00 C ATOM 241 CD1 LEU A 529 -3.300 -1.239 7.871 1.00 0.00 C ATOM 242 CD2 LEU A 529 -4.262 -2.906 6.280 1.00 0.00 C ATOM 0 H LEU A 529 -7.198 -1.317 7.279 1.00 0.00 H new ATOM 0 HA LEU A 529 -6.440 -4.029 7.396 1.00 0.00 H new ATOM 0 HB2 LEU A 529 -5.630 -1.720 9.200 1.00 0.00 H new ATOM 0 HB3 LEU A 529 -4.754 -3.223 8.990 1.00 0.00 H new ATOM 0 HG LEU A 529 -5.182 -1.083 6.886 1.00 0.00 H new ATOM 0 HD11 LEU A 529 -2.742 -0.798 7.045 1.00 0.00 H new ATOM 0 HD12 LEU A 529 -3.550 -0.464 8.595 1.00 0.00 H new ATOM 0 HD13 LEU A 529 -2.691 -2.003 8.353 1.00 0.00 H new ATOM 0 HD21 LEU A 529 -3.687 -2.443 5.478 1.00 0.00 H new ATOM 0 HD22 LEU A 529 -3.680 -3.714 6.724 1.00 0.00 H new ATOM 0 HD23 LEU A 529 -5.191 -3.308 5.875 1.00 0.00 H new ATOM 254 N GLN A 530 -8.424 -3.008 9.720 1.00 0.00 N ATOM 255 CA GLN A 530 -9.192 -3.390 10.889 1.00 0.00 C ATOM 256 C GLN A 530 -10.322 -4.344 10.501 1.00 0.00 C ATOM 257 O GLN A 530 -10.885 -5.032 11.350 1.00 0.00 O ATOM 258 CB GLN A 530 -9.776 -2.148 11.567 1.00 0.00 C ATOM 259 CG GLN A 530 -8.794 -0.990 11.700 1.00 0.00 C ATOM 260 CD GLN A 530 -9.367 0.165 12.494 1.00 0.00 C ATOM 261 OE1 GLN A 530 -10.218 -0.023 13.363 1.00 0.00 O ATOM 262 NE2 GLN A 530 -8.904 1.368 12.204 1.00 0.00 N ATOM 0 H GLN A 530 -8.738 -2.146 9.274 1.00 0.00 H new ATOM 0 HA GLN A 530 -8.525 -3.899 11.585 1.00 0.00 H new ATOM 0 HB2 GLN A 530 -10.643 -1.811 10.999 1.00 0.00 H new ATOM 0 HB3 GLN A 530 -10.133 -2.423 12.560 1.00 0.00 H new ATOM 0 HG2 GLN A 530 -7.883 -1.343 12.184 1.00 0.00 H new ATOM 0 HG3 GLN A 530 -8.512 -0.640 10.707 1.00 0.00 H new ATOM 0 HE21 GLN A 530 -8.198 1.481 11.476 1.00 0.00 H new ATOM 0 HE22 GLN A 530 -9.252 2.184 12.708 1.00 0.00 H new ATOM 271 N HIS A 531 -10.644 -4.388 9.212 1.00 0.00 N ATOM 272 CA HIS A 531 -11.760 -5.201 8.734 1.00 0.00 C ATOM 273 C HIS A 531 -11.303 -6.217 7.693 1.00 0.00 C ATOM 274 O HIS A 531 -11.783 -6.215 6.559 1.00 0.00 O ATOM 275 CB HIS A 531 -12.862 -4.328 8.126 1.00 0.00 C ATOM 276 CG HIS A 531 -13.477 -3.350 9.082 1.00 0.00 C ATOM 277 ND1 HIS A 531 -13.158 -2.054 9.311 1.00 0.00 N flip ATOM 278 CD2 HIS A 531 -14.531 -3.701 9.890 1.00 0.00 C flip ATOM 279 CE1 HIS A 531 -14.023 -1.596 10.273 1.00 0.00 C flip ATOM 280 NE2 HIS A 531 -14.827 -2.619 10.589 1.00 0.00 N flip ATOM 0 H HIS A 531 -10.152 -3.873 8.482 1.00 0.00 H new ATOM 0 HA HIS A 531 -12.156 -5.731 9.600 1.00 0.00 H new ATOM 0 HB2 HIS A 531 -12.448 -3.779 7.280 1.00 0.00 H new ATOM 0 HB3 HIS A 531 -13.646 -4.975 7.733 1.00 0.00 H new ATOM 0 HD1 HIS A 531 -12.417 -1.521 8.856 1.00 0.00 H new ATOM 0 HD2 HIS A 531 -15.018 -4.664 9.943 1.00 0.00 H new ATOM 0 HE1 HIS A 531 -14.050 -0.602 10.694 1.00 0.00 H new ATOM 288 N GLY A 532 -10.372 -7.078 8.071 1.00 0.00 N ATOM 289 CA GLY A 532 -9.966 -8.154 7.188 1.00 0.00 C ATOM 290 C GLY A 532 -8.912 -7.762 6.162 1.00 0.00 C ATOM 291 O GLY A 532 -8.018 -8.555 5.858 1.00 0.00 O ATOM 0 H GLY A 532 -9.891 -7.053 8.970 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -9.581 -8.976 7.791 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -10.845 -8.528 6.663 1.00 0.00 H new ATOM 295 N TRP A 533 -9.019 -6.560 5.607 1.00 0.00 N ATOM 296 CA TRP A 533 -8.099 -6.116 4.563 1.00 0.00 C ATOM 297 C TRP A 533 -6.673 -6.001 5.084 1.00 0.00 C ATOM 298 O TRP A 533 -6.446 -5.826 6.282 1.00 0.00 O ATOM 299 CB TRP A 533 -8.532 -4.764 4.002 1.00 0.00 C ATOM 300 CG TRP A 533 -9.860 -4.785 3.321 1.00 0.00 C ATOM 301 CD1 TRP A 533 -11.090 -4.779 3.913 1.00 0.00 C ATOM 302 CD2 TRP A 533 -10.090 -4.790 1.913 1.00 0.00 C ATOM 303 NE1 TRP A 533 -12.071 -4.806 2.955 1.00 0.00 N ATOM 304 CE2 TRP A 533 -11.483 -4.805 1.718 1.00 0.00 C ATOM 305 CE3 TRP A 533 -9.250 -4.790 0.797 1.00 0.00 C ATOM 306 CZ2 TRP A 533 -12.054 -4.815 0.450 1.00 0.00 C ATOM 307 CZ3 TRP A 533 -9.818 -4.796 -0.460 1.00 0.00 C ATOM 308 CH2 TRP A 533 -11.207 -4.809 -0.625 1.00 0.00 C ATOM 0 H TRP A 533 -9.732 -5.876 5.861 1.00 0.00 H new ATOM 0 HA TRP A 533 -8.125 -6.868 3.774 1.00 0.00 H new ATOM 0 HB2 TRP A 533 -8.564 -4.039 4.815 1.00 0.00 H new ATOM 0 HB3 TRP A 533 -7.778 -4.418 3.295 1.00 0.00 H new ATOM 0 HD1 TRP A 533 -11.265 -4.756 4.979 1.00 0.00 H new ATOM 0 HE1 TRP A 533 -13.075 -4.824 3.134 1.00 0.00 H new ATOM 0 HE3 TRP A 533 -8.177 -4.785 0.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 -13.126 -4.827 0.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 -9.180 -4.791 -1.331 1.00 0.00 H new ATOM 0 HH2 TRP A 533 -11.620 -4.814 -1.623 1.00 0.00 H new ATOM 319 N ARG A 534 -5.714 -6.107 4.177 1.00 0.00 N ATOM 320 CA ARG A 534 -4.310 -5.918 4.501 1.00 0.00 C ATOM 321 C ARG A 534 -3.706 -4.960 3.485 1.00 0.00 C ATOM 322 O ARG A 534 -4.239 -4.820 2.381 1.00 0.00 O ATOM 323 CB ARG A 534 -3.562 -7.257 4.461 1.00 0.00 C ATOM 324 CG ARG A 534 -4.037 -8.265 5.497 1.00 0.00 C ATOM 325 CD ARG A 534 -3.725 -7.806 6.912 1.00 0.00 C ATOM 326 NE ARG A 534 -4.236 -8.740 7.913 1.00 0.00 N ATOM 327 CZ ARG A 534 -3.706 -8.903 9.124 1.00 0.00 C ATOM 328 NH1 ARG A 534 -2.631 -8.211 9.482 1.00 0.00 N ATOM 329 NH2 ARG A 534 -4.252 -9.762 9.975 1.00 0.00 N ATOM 0 H ARG A 534 -5.888 -6.326 3.196 1.00 0.00 H new ATOM 0 HA ARG A 534 -4.220 -5.509 5.507 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -3.672 -7.693 3.468 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -2.498 -7.071 4.611 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -5.111 -8.416 5.392 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -3.560 -9.228 5.313 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -2.646 -7.701 7.030 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -4.161 -6.821 7.079 1.00 0.00 H new ATOM 0 HE ARG A 534 -5.051 -9.303 7.669 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -2.208 -7.552 8.829 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -2.228 -8.339 10.410 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -5.077 -10.297 9.702 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -3.847 -9.888 10.903 1.00 0.00 H new ATOM 343 N ARG A 535 -2.606 -4.309 3.838 1.00 0.00 N ATOM 344 CA ARG A 535 -1.965 -3.397 2.908 1.00 0.00 C ATOM 345 C ARG A 535 -0.456 -3.417 3.090 1.00 0.00 C ATOM 346 O ARG A 535 0.062 -3.091 4.162 1.00 0.00 O ATOM 347 CB ARG A 535 -2.492 -1.981 3.138 1.00 0.00 C ATOM 348 CG ARG A 535 -2.074 -0.982 2.075 1.00 0.00 C ATOM 349 CD ARG A 535 -1.425 0.242 2.693 1.00 0.00 C ATOM 350 NE ARG A 535 -1.547 1.427 1.842 1.00 0.00 N ATOM 351 CZ ARG A 535 -0.722 2.473 1.892 1.00 0.00 C ATOM 352 NH1 ARG A 535 0.290 2.484 2.752 1.00 0.00 N ATOM 353 NH2 ARG A 535 -0.907 3.501 1.076 1.00 0.00 N ATOM 0 H ARG A 535 -2.147 -4.394 4.745 1.00 0.00 H new ATOM 0 HA ARG A 535 -2.195 -3.715 1.891 1.00 0.00 H new ATOM 0 HB2 ARG A 535 -3.581 -2.013 3.183 1.00 0.00 H new ATOM 0 HB3 ARG A 535 -2.144 -1.629 4.109 1.00 0.00 H new ATOM 0 HG2 ARG A 535 -1.378 -1.455 1.382 1.00 0.00 H new ATOM 0 HG3 ARG A 535 -2.945 -0.680 1.494 1.00 0.00 H new ATOM 0 HD2 ARG A 535 -1.884 0.444 3.661 1.00 0.00 H new ATOM 0 HD3 ARG A 535 -0.370 0.037 2.877 1.00 0.00 H new ATOM 0 HE ARG A 535 -2.312 1.454 1.168 1.00 0.00 H new ATOM 0 HH11 ARG A 535 0.437 1.691 3.376 1.00 0.00 H new ATOM 0 HH12 ARG A 535 0.920 3.286 2.788 1.00 0.00 H new ATOM 0 HH21 ARG A 535 -1.680 3.491 0.411 1.00 0.00 H new ATOM 0 HH22 ARG A 535 -0.276 4.302 1.113 1.00 0.00 H new ATOM 367 N GLU A 536 0.240 -3.782 2.035 1.00 0.00 N ATOM 368 CA GLU A 536 1.687 -3.859 2.049 1.00 0.00 C ATOM 369 C GLU A 536 2.256 -2.809 1.109 1.00 0.00 C ATOM 370 O GLU A 536 1.686 -2.555 0.056 1.00 0.00 O ATOM 371 CB GLU A 536 2.150 -5.238 1.577 1.00 0.00 C ATOM 372 CG GLU A 536 1.790 -6.374 2.513 1.00 0.00 C ATOM 373 CD GLU A 536 2.215 -7.722 1.965 1.00 0.00 C ATOM 374 OE1 GLU A 536 3.400 -7.881 1.600 1.00 0.00 O ATOM 375 OE2 GLU A 536 1.367 -8.633 1.893 1.00 0.00 O ATOM 0 H GLU A 536 -0.181 -4.034 1.141 1.00 0.00 H new ATOM 0 HA GLU A 536 2.036 -3.688 3.067 1.00 0.00 H new ATOM 0 HB2 GLU A 536 1.715 -5.438 0.598 1.00 0.00 H new ATOM 0 HB3 GLU A 536 3.232 -5.220 1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 536 2.265 -6.210 3.480 1.00 0.00 H new ATOM 0 HG3 GLU A 536 0.713 -6.376 2.683 1.00 0.00 H new ATOM 382 N VAL A 537 3.357 -2.187 1.482 1.00 0.00 N ATOM 383 CA VAL A 537 4.025 -1.258 0.588 1.00 0.00 C ATOM 384 C VAL A 537 5.405 -1.786 0.256 1.00 0.00 C ATOM 385 O VAL A 537 6.247 -1.965 1.133 1.00 0.00 O ATOM 386 CB VAL A 537 4.145 0.160 1.184 1.00 0.00 C ATOM 387 CG1 VAL A 537 4.851 1.096 0.209 1.00 0.00 C ATOM 388 CG2 VAL A 537 2.774 0.706 1.542 1.00 0.00 C ATOM 0 H VAL A 537 3.806 -2.305 2.390 1.00 0.00 H new ATOM 0 HA VAL A 537 3.416 -1.178 -0.313 1.00 0.00 H new ATOM 0 HB VAL A 537 4.741 0.097 2.094 1.00 0.00 H new ATOM 0 HG11 VAL A 537 4.925 2.091 0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 537 5.851 0.716 -0.000 1.00 0.00 H new ATOM 0 HG13 VAL A 537 4.282 1.151 -0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 537 2.879 1.707 1.961 1.00 0.00 H new ATOM 0 HG22 VAL A 537 2.155 0.751 0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 537 2.303 0.053 2.276 1.00 0.00 H new ATOM 398 N ARG A 538 5.615 -2.049 -1.009 1.00 0.00 N ATOM 399 CA ARG A 538 6.850 -2.658 -1.453 1.00 0.00 C ATOM 400 C ARG A 538 7.674 -1.674 -2.264 1.00 0.00 C ATOM 401 O ARG A 538 7.225 -1.154 -3.285 1.00 0.00 O ATOM 402 CB ARG A 538 6.541 -3.936 -2.229 1.00 0.00 C ATOM 403 CG ARG A 538 5.828 -4.960 -1.359 1.00 0.00 C ATOM 404 CD ARG A 538 5.457 -6.219 -2.116 1.00 0.00 C ATOM 405 NE ARG A 538 4.780 -7.178 -1.243 1.00 0.00 N ATOM 406 CZ ARG A 538 4.350 -8.374 -1.632 1.00 0.00 C ATOM 407 NH1 ARG A 538 4.499 -8.762 -2.894 1.00 0.00 N ATOM 408 NH2 ARG A 538 3.758 -9.172 -0.755 1.00 0.00 N ATOM 0 H ARG A 538 4.947 -1.852 -1.754 1.00 0.00 H new ATOM 0 HA ARG A 538 7.454 -2.931 -0.588 1.00 0.00 H new ATOM 0 HB2 ARG A 538 5.921 -3.697 -3.093 1.00 0.00 H new ATOM 0 HB3 ARG A 538 7.468 -4.364 -2.610 1.00 0.00 H new ATOM 0 HG2 ARG A 538 6.468 -5.223 -0.517 1.00 0.00 H new ATOM 0 HG3 ARG A 538 4.925 -4.512 -0.944 1.00 0.00 H new ATOM 0 HD2 ARG A 538 4.809 -5.965 -2.955 1.00 0.00 H new ATOM 0 HD3 ARG A 538 6.355 -6.674 -2.534 1.00 0.00 H new ATOM 0 HE ARG A 538 4.628 -6.911 -0.270 1.00 0.00 H new ATOM 0 HH11 ARG A 538 4.945 -8.141 -3.569 1.00 0.00 H new ATOM 0 HH12 ARG A 538 4.167 -9.681 -3.188 1.00 0.00 H new ATOM 0 HH21 ARG A 538 3.635 -8.867 0.210 1.00 0.00 H new ATOM 0 HH22 ARG A 538 3.425 -10.091 -1.046 1.00 0.00 H new ATOM 422 N ILE A 539 8.881 -1.416 -1.784 1.00 0.00 N ATOM 423 CA ILE A 539 9.745 -0.417 -2.379 1.00 0.00 C ATOM 424 C ILE A 539 10.943 -1.070 -3.063 1.00 0.00 C ATOM 425 O ILE A 539 11.690 -1.836 -2.448 1.00 0.00 O ATOM 426 CB ILE A 539 10.244 0.564 -1.307 1.00 0.00 C ATOM 427 CG1 ILE A 539 9.062 1.112 -0.502 1.00 0.00 C ATOM 428 CG2 ILE A 539 11.026 1.699 -1.945 1.00 0.00 C ATOM 429 CD1 ILE A 539 9.465 2.044 0.615 1.00 0.00 C ATOM 0 H ILE A 539 9.284 -1.891 -0.977 1.00 0.00 H new ATOM 0 HA ILE A 539 9.164 0.125 -3.126 1.00 0.00 H new ATOM 0 HB ILE A 539 10.910 0.030 -0.629 1.00 0.00 H new ATOM 0 HG12 ILE A 539 8.388 1.639 -1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 539 8.502 0.276 -0.081 1.00 0.00 H new ATOM 0 HG21 ILE A 539 11.371 2.384 -1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 539 11.885 1.293 -2.480 1.00 0.00 H new ATOM 0 HG23 ILE A 539 10.384 2.236 -2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 539 8.574 2.391 1.139 1.00 0.00 H new ATOM 0 HD12 ILE A 539 10.114 1.516 1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 539 9.998 2.900 0.200 1.00 0.00 H new ATOM 441 N LYS A 540 11.118 -0.755 -4.333 1.00 0.00 N ATOM 442 CA LYS A 540 12.210 -1.314 -5.112 1.00 0.00 C ATOM 443 C LYS A 540 12.954 -0.245 -5.901 1.00 0.00 C ATOM 444 O LYS A 540 12.360 0.710 -6.405 1.00 0.00 O ATOM 445 CB LYS A 540 11.689 -2.416 -6.041 1.00 0.00 C ATOM 446 CG LYS A 540 10.533 -1.985 -6.933 1.00 0.00 C ATOM 447 CD LYS A 540 9.897 -3.176 -7.639 1.00 0.00 C ATOM 448 CE LYS A 540 10.894 -3.903 -8.528 1.00 0.00 C ATOM 449 NZ LYS A 540 10.303 -5.111 -9.160 1.00 0.00 N ATOM 0 H LYS A 540 10.517 -0.113 -4.849 1.00 0.00 H new ATOM 0 HA LYS A 540 12.925 -1.750 -4.414 1.00 0.00 H new ATOM 0 HB2 LYS A 540 12.509 -2.763 -6.670 1.00 0.00 H new ATOM 0 HB3 LYS A 540 11.370 -3.265 -5.436 1.00 0.00 H new ATOM 0 HG2 LYS A 540 9.781 -1.472 -6.333 1.00 0.00 H new ATOM 0 HG3 LYS A 540 10.891 -1.270 -7.674 1.00 0.00 H new ATOM 0 HD2 LYS A 540 9.499 -3.868 -6.897 1.00 0.00 H new ATOM 0 HD3 LYS A 540 9.055 -2.835 -8.241 1.00 0.00 H new ATOM 0 HE2 LYS A 540 11.248 -3.225 -9.304 1.00 0.00 H new ATOM 0 HE3 LYS A 540 11.763 -4.192 -7.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 540 11.017 -5.575 -9.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 540 9.988 -5.771 -8.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 540 9.490 -4.834 -9.746 1.00 0.00 H new ATOM 463 N LYS A 541 14.265 -0.417 -5.984 1.00 0.00 N ATOM 464 CA LYS A 541 15.098 0.513 -6.726 1.00 0.00 C ATOM 465 C LYS A 541 14.892 0.305 -8.221 1.00 0.00 C ATOM 466 O LYS A 541 14.976 -0.821 -8.716 1.00 0.00 O ATOM 467 CB LYS A 541 16.570 0.295 -6.360 1.00 0.00 C ATOM 468 CG LYS A 541 17.559 1.018 -7.262 1.00 0.00 C ATOM 469 CD LYS A 541 17.515 2.522 -7.071 1.00 0.00 C ATOM 470 CE LYS A 541 18.561 3.218 -7.925 1.00 0.00 C ATOM 471 NZ LYS A 541 19.936 2.740 -7.616 1.00 0.00 N ATOM 0 H LYS A 541 14.771 -1.188 -5.549 1.00 0.00 H new ATOM 0 HA LYS A 541 14.818 1.535 -6.469 1.00 0.00 H new ATOM 0 HB2 LYS A 541 16.728 0.623 -5.333 1.00 0.00 H new ATOM 0 HB3 LYS A 541 16.784 -0.773 -6.390 1.00 0.00 H new ATOM 0 HG2 LYS A 541 18.567 0.657 -7.057 1.00 0.00 H new ATOM 0 HG3 LYS A 541 17.341 0.779 -8.303 1.00 0.00 H new ATOM 0 HD2 LYS A 541 16.524 2.895 -7.330 1.00 0.00 H new ATOM 0 HD3 LYS A 541 17.681 2.762 -6.021 1.00 0.00 H new ATOM 0 HE2 LYS A 541 18.344 3.044 -8.979 1.00 0.00 H new ATOM 0 HE3 LYS A 541 18.505 4.294 -7.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 20.631 3.425 -7.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 20.047 2.643 -6.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 20.093 1.817 -8.069 1.00 0.00 H new ATOM 485 N GLY A 542 14.617 1.383 -8.932 1.00 0.00 N ATOM 486 CA GLY A 542 14.382 1.287 -10.355 1.00 0.00 C ATOM 487 C GLY A 542 15.590 1.710 -11.158 1.00 0.00 C ATOM 488 O GLY A 542 16.544 2.264 -10.607 1.00 0.00 O ATOM 0 H GLY A 542 14.552 2.326 -8.549 1.00 0.00 H new ATOM 0 HA2 GLY A 542 14.118 0.261 -10.610 1.00 0.00 H new ATOM 0 HA3 GLY A 542 13.530 1.912 -10.625 1.00 0.00 H new ATOM 492 N SER A 543 15.559 1.446 -12.455 1.00 0.00 N ATOM 493 CA SER A 543 16.651 1.826 -13.337 1.00 0.00 C ATOM 494 C SER A 543 16.704 3.342 -13.489 1.00 0.00 C ATOM 495 O SER A 543 17.760 3.917 -13.759 1.00 0.00 O ATOM 496 CB SER A 543 16.478 1.171 -14.711 1.00 0.00 C ATOM 497 OG SER A 543 17.632 1.346 -15.517 1.00 0.00 O ATOM 0 H SER A 543 14.787 0.969 -12.921 1.00 0.00 H new ATOM 0 HA SER A 543 17.587 1.481 -12.897 1.00 0.00 H new ATOM 0 HB2 SER A 543 16.278 0.107 -14.586 1.00 0.00 H new ATOM 0 HB3 SER A 543 15.612 1.601 -15.214 1.00 0.00 H new ATOM 0 HG SER A 543 17.492 0.916 -16.386 1.00 0.00 H new ATOM 503 N HIS A 544 15.560 3.983 -13.302 1.00 0.00 N ATOM 504 CA HIS A 544 15.460 5.421 -13.475 1.00 0.00 C ATOM 505 C HIS A 544 15.470 6.129 -12.128 1.00 0.00 C ATOM 506 O HIS A 544 16.305 6.999 -11.881 1.00 0.00 O ATOM 507 CB HIS A 544 14.190 5.776 -14.253 1.00 0.00 C ATOM 508 CG HIS A 544 14.121 5.132 -15.604 1.00 0.00 C ATOM 509 ND1 HIS A 544 12.954 4.585 -16.084 1.00 0.00 N ATOM 510 CD2 HIS A 544 15.099 4.968 -16.527 1.00 0.00 C ATOM 511 CE1 HIS A 544 13.250 4.103 -17.281 1.00 0.00 C ATOM 512 NE2 HIS A 544 14.534 4.314 -17.589 1.00 0.00 N ATOM 0 H HIS A 544 14.688 3.528 -13.030 1.00 0.00 H new ATOM 0 HA HIS A 544 16.326 5.758 -14.045 1.00 0.00 H new ATOM 0 HB2 HIS A 544 13.320 5.475 -13.670 1.00 0.00 H new ATOM 0 HB3 HIS A 544 14.136 6.858 -14.371 1.00 0.00 H new ATOM 0 HD2 HIS A 544 16.126 5.291 -16.442 1.00 0.00 H new ATOM 0 HE1 HIS A 544 12.544 3.603 -17.927 1.00 0.00 H new ATOM 0 HE2 HIS A 544 15.004 4.040 -18.452 1.00 0.00 H new ATOM 520 N ARG A 545 14.557 5.743 -11.249 1.00 0.00 N ATOM 521 CA ARG A 545 14.431 6.401 -9.957 1.00 0.00 C ATOM 522 C ARG A 545 13.992 5.417 -8.877 1.00 0.00 C ATOM 523 O ARG A 545 13.875 4.214 -9.120 1.00 0.00 O ATOM 524 CB ARG A 545 13.420 7.549 -10.051 1.00 0.00 C ATOM 525 CG ARG A 545 11.997 7.090 -10.330 1.00 0.00 C ATOM 526 CD ARG A 545 11.034 8.261 -10.350 1.00 0.00 C ATOM 527 NE ARG A 545 9.641 7.830 -10.460 1.00 0.00 N ATOM 528 CZ ARG A 545 8.599 8.643 -10.306 1.00 0.00 C ATOM 529 NH1 ARG A 545 8.790 9.937 -10.074 1.00 0.00 N ATOM 530 NH2 ARG A 545 7.364 8.164 -10.390 1.00 0.00 N ATOM 0 H ARG A 545 13.896 4.982 -11.405 1.00 0.00 H new ATOM 0 HA ARG A 545 15.409 6.796 -9.683 1.00 0.00 H new ATOM 0 HB2 ARG A 545 13.434 8.111 -9.117 1.00 0.00 H new ATOM 0 HB3 ARG A 545 13.733 8.233 -10.840 1.00 0.00 H new ATOM 0 HG2 ARG A 545 11.961 6.571 -11.288 1.00 0.00 H new ATOM 0 HG3 ARG A 545 11.687 6.375 -9.568 1.00 0.00 H new ATOM 0 HD2 ARG A 545 11.160 8.848 -9.440 1.00 0.00 H new ATOM 0 HD3 ARG A 545 11.277 8.915 -11.188 1.00 0.00 H new ATOM 0 HE ARG A 545 9.457 6.848 -10.667 1.00 0.00 H new ATOM 0 HH11 ARG A 545 9.737 10.310 -10.013 1.00 0.00 H new ATOM 0 HH12 ARG A 545 7.989 10.558 -9.956 1.00 0.00 H new ATOM 0 HH21 ARG A 545 7.213 7.172 -10.573 1.00 0.00 H new ATOM 0 HH22 ARG A 545 6.566 8.788 -10.272 1.00 0.00 H new ATOM 544 N TRP A 546 13.751 5.952 -7.691 1.00 0.00 N ATOM 545 CA TRP A 546 13.252 5.143 -6.592 1.00 0.00 C ATOM 546 C TRP A 546 11.736 5.083 -6.645 1.00 0.00 C ATOM 547 O TRP A 546 11.059 6.115 -6.675 1.00 0.00 O ATOM 548 CB TRP A 546 13.726 5.683 -5.244 1.00 0.00 C ATOM 549 CG TRP A 546 15.091 5.204 -4.877 1.00 0.00 C ATOM 550 CD1 TRP A 546 16.283 5.785 -5.201 1.00 0.00 C ATOM 551 CD2 TRP A 546 15.404 4.029 -4.121 1.00 0.00 C ATOM 552 NE1 TRP A 546 17.320 5.042 -4.691 1.00 0.00 N ATOM 553 CE2 TRP A 546 16.805 3.960 -4.023 1.00 0.00 C ATOM 554 CE3 TRP A 546 14.634 3.027 -3.516 1.00 0.00 C ATOM 555 CZ2 TRP A 546 17.454 2.932 -3.346 1.00 0.00 C ATOM 556 CZ3 TRP A 546 15.280 2.007 -2.845 1.00 0.00 C ATOM 557 CH2 TRP A 546 16.678 1.967 -2.764 1.00 0.00 C ATOM 0 H TRP A 546 13.892 6.937 -7.466 1.00 0.00 H new ATOM 0 HA TRP A 546 13.651 4.134 -6.698 1.00 0.00 H new ATOM 0 HB2 TRP A 546 13.724 6.773 -5.273 1.00 0.00 H new ATOM 0 HB3 TRP A 546 13.020 5.383 -4.469 1.00 0.00 H new ATOM 0 HD1 TRP A 546 16.394 6.694 -5.773 1.00 0.00 H new ATOM 0 HE1 TRP A 546 18.311 5.259 -4.792 1.00 0.00 H new ATOM 0 HE3 TRP A 546 13.556 3.052 -3.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 546 18.532 2.897 -3.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 546 14.698 1.228 -2.375 1.00 0.00 H new ATOM 0 HH2 TRP A 546 17.153 1.157 -2.231 1.00 0.00 H new ATOM 568 N GLN A 547 11.205 3.874 -6.676 1.00 0.00 N ATOM 569 CA GLN A 547 9.771 3.693 -6.763 1.00 0.00 C ATOM 570 C GLN A 547 9.253 2.806 -5.641 1.00 0.00 C ATOM 571 O GLN A 547 10.008 2.085 -4.987 1.00 0.00 O ATOM 572 CB GLN A 547 9.387 3.091 -8.119 1.00 0.00 C ATOM 573 CG GLN A 547 9.668 1.602 -8.228 1.00 0.00 C ATOM 574 CD GLN A 547 9.229 1.016 -9.553 1.00 0.00 C ATOM 575 OE1 GLN A 547 9.297 1.669 -10.593 1.00 0.00 O ATOM 576 NE2 GLN A 547 8.746 -0.213 -9.515 1.00 0.00 N ATOM 0 H GLN A 547 11.743 3.008 -6.642 1.00 0.00 H new ATOM 0 HA GLN A 547 9.310 4.676 -6.662 1.00 0.00 H new ATOM 0 HB2 GLN A 547 8.326 3.265 -8.296 1.00 0.00 H new ATOM 0 HB3 GLN A 547 9.932 3.613 -8.906 1.00 0.00 H new ATOM 0 HG2 GLN A 547 10.736 1.428 -8.095 1.00 0.00 H new ATOM 0 HG3 GLN A 547 9.157 1.081 -7.419 1.00 0.00 H new ATOM 0 HE21 GLN A 547 8.708 -0.719 -8.630 1.00 0.00 H new ATOM 0 HE22 GLN A 547 8.411 -0.656 -10.371 1.00 0.00 H new ATOM 585 N GLY A 548 7.955 2.865 -5.451 1.00 0.00 N ATOM 586 CA GLY A 548 7.301 2.064 -4.450 1.00 0.00 C ATOM 587 C GLY A 548 5.871 1.803 -4.832 1.00 0.00 C ATOM 588 O GLY A 548 5.253 2.623 -5.509 1.00 0.00 O ATOM 0 H GLY A 548 7.328 3.467 -5.985 1.00 0.00 H new ATOM 0 HA2 GLY A 548 7.830 1.118 -4.331 1.00 0.00 H new ATOM 0 HA3 GLY A 548 7.339 2.574 -3.487 1.00 0.00 H new ATOM 592 N GLU A 549 5.335 0.680 -4.405 1.00 0.00 N ATOM 593 CA GLU A 549 3.979 0.328 -4.764 1.00 0.00 C ATOM 594 C GLU A 549 3.231 -0.219 -3.567 1.00 0.00 C ATOM 595 O GLU A 549 3.805 -0.849 -2.677 1.00 0.00 O ATOM 596 CB GLU A 549 3.971 -0.680 -5.910 1.00 0.00 C ATOM 597 CG GLU A 549 4.473 -2.049 -5.511 1.00 0.00 C ATOM 598 CD GLU A 549 4.855 -2.894 -6.705 1.00 0.00 C ATOM 599 OE1 GLU A 549 3.948 -3.416 -7.385 1.00 0.00 O ATOM 600 OE2 GLU A 549 6.063 -3.035 -6.977 1.00 0.00 O ATOM 0 H GLU A 549 5.813 0.000 -3.814 1.00 0.00 H new ATOM 0 HA GLU A 549 3.470 1.232 -5.099 1.00 0.00 H new ATOM 0 HB2 GLU A 549 2.956 -0.772 -6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 549 4.588 -0.298 -6.724 1.00 0.00 H new ATOM 0 HG2 GLU A 549 5.337 -1.939 -4.856 1.00 0.00 H new ATOM 0 HG3 GLU A 549 3.701 -2.563 -4.938 1.00 0.00 H new ATOM 607 N THR A 550 1.951 0.044 -3.563 1.00 0.00 N ATOM 608 CA THR A 550 1.096 -0.369 -2.474 1.00 0.00 C ATOM 609 C THR A 550 0.215 -1.537 -2.893 1.00 0.00 C ATOM 610 O THR A 550 -0.455 -1.488 -3.921 1.00 0.00 O ATOM 611 CB THR A 550 0.222 0.794 -1.998 1.00 0.00 C ATOM 612 OG1 THR A 550 1.038 1.824 -1.426 1.00 0.00 O ATOM 613 CG2 THR A 550 -0.802 0.319 -0.989 1.00 0.00 C ATOM 0 H THR A 550 1.471 0.548 -4.309 1.00 0.00 H new ATOM 0 HA THR A 550 1.736 -0.688 -1.651 1.00 0.00 H new ATOM 0 HB THR A 550 -0.308 1.199 -2.860 1.00 0.00 H new ATOM 0 HG1 THR A 550 1.077 2.588 -2.038 1.00 0.00 H new ATOM 0 HG21 THR A 550 -1.412 1.162 -0.665 1.00 0.00 H new ATOM 0 HG22 THR A 550 -1.441 -0.436 -1.447 1.00 0.00 H new ATOM 0 HG23 THR A 550 -0.291 -0.112 -0.128 1.00 0.00 H new ATOM 621 N TRP A 551 0.276 -2.606 -2.130 1.00 0.00 N ATOM 622 CA TRP A 551 -0.505 -3.786 -2.424 1.00 0.00 C ATOM 623 C TRP A 551 -1.642 -3.939 -1.412 1.00 0.00 C ATOM 624 O TRP A 551 -1.508 -3.605 -0.233 1.00 0.00 O ATOM 625 CB TRP A 551 0.373 -5.035 -2.409 1.00 0.00 C ATOM 626 CG TRP A 551 1.034 -5.315 -3.724 1.00 0.00 C ATOM 627 CD1 TRP A 551 1.890 -4.500 -4.406 1.00 0.00 C ATOM 628 CD2 TRP A 551 0.892 -6.500 -4.513 1.00 0.00 C ATOM 629 NE1 TRP A 551 2.278 -5.101 -5.580 1.00 0.00 N ATOM 630 CE2 TRP A 551 1.683 -6.333 -5.665 1.00 0.00 C ATOM 631 CE3 TRP A 551 0.169 -7.687 -4.358 1.00 0.00 C ATOM 632 CZ2 TRP A 551 1.772 -7.308 -6.654 1.00 0.00 C ATOM 633 CZ3 TRP A 551 0.260 -8.655 -5.340 1.00 0.00 C ATOM 634 CH2 TRP A 551 1.057 -8.461 -6.475 1.00 0.00 C ATOM 0 H TRP A 551 0.861 -2.682 -1.298 1.00 0.00 H new ATOM 0 HA TRP A 551 -0.929 -3.670 -3.421 1.00 0.00 H new ATOM 0 HB2 TRP A 551 1.140 -4.922 -1.643 1.00 0.00 H new ATOM 0 HB3 TRP A 551 -0.235 -5.894 -2.127 1.00 0.00 H new ATOM 0 HD1 TRP A 551 2.215 -3.526 -4.072 1.00 0.00 H new ATOM 0 HE1 TRP A 551 2.906 -4.696 -6.274 1.00 0.00 H new ATOM 0 HE3 TRP A 551 -0.449 -7.844 -3.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 2.384 -7.160 -7.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 -0.293 -9.576 -5.230 1.00 0.00 H new ATOM 0 HH2 TRP A 551 1.108 -9.237 -7.224 1.00 0.00 H new ATOM 645 N TYR A 552 -2.749 -4.451 -1.911 1.00 0.00 N ATOM 646 CA TYR A 552 -3.928 -4.704 -1.089 1.00 0.00 C ATOM 647 C TYR A 552 -4.453 -6.104 -1.337 1.00 0.00 C ATOM 648 O TYR A 552 -4.242 -6.674 -2.407 1.00 0.00 O ATOM 649 CB TYR A 552 -5.041 -3.691 -1.390 1.00 0.00 C ATOM 650 CG TYR A 552 -5.012 -2.414 -0.566 1.00 0.00 C ATOM 651 CD1 TYR A 552 -4.311 -1.292 -0.991 1.00 0.00 C ATOM 652 CD2 TYR A 552 -5.732 -2.318 0.618 1.00 0.00 C ATOM 653 CE1 TYR A 552 -4.328 -0.119 -0.263 1.00 0.00 C ATOM 654 CE2 TYR A 552 -5.745 -1.148 1.357 1.00 0.00 C ATOM 655 CZ TYR A 552 -5.043 -0.053 0.909 1.00 0.00 C ATOM 656 OH TYR A 552 -5.063 1.120 1.630 1.00 0.00 O ATOM 0 H TYR A 552 -2.862 -4.704 -2.892 1.00 0.00 H new ATOM 0 HA TYR A 552 -3.630 -4.602 -0.046 1.00 0.00 H new ATOM 0 HB2 TYR A 552 -4.986 -3.422 -2.445 1.00 0.00 H new ATOM 0 HB3 TYR A 552 -6.003 -4.180 -1.235 1.00 0.00 H new ATOM 0 HD1 TYR A 552 -3.742 -1.338 -1.908 1.00 0.00 H new ATOM 0 HD2 TYR A 552 -6.292 -3.172 0.968 1.00 0.00 H new ATOM 0 HE1 TYR A 552 -3.781 0.744 -0.613 1.00 0.00 H new ATOM 0 HE2 TYR A 552 -6.303 -1.095 2.280 1.00 0.00 H new ATOM 0 HH TYR A 552 -5.614 1.002 2.432 1.00 0.00 H new ATOM 666 N TYR A 553 -5.132 -6.668 -0.353 1.00 0.00 N ATOM 667 CA TYR A 553 -5.689 -8.001 -0.487 1.00 0.00 C ATOM 668 C TYR A 553 -7.123 -8.034 0.016 1.00 0.00 C ATOM 669 O TYR A 553 -7.413 -7.548 1.112 1.00 0.00 O ATOM 670 CB TYR A 553 -4.849 -9.002 0.312 1.00 0.00 C ATOM 671 CG TYR A 553 -3.371 -8.954 -0.001 1.00 0.00 C ATOM 672 CD1 TYR A 553 -2.553 -7.990 0.575 1.00 0.00 C ATOM 673 CD2 TYR A 553 -2.793 -9.870 -0.869 1.00 0.00 C ATOM 674 CE1 TYR A 553 -1.206 -7.938 0.293 1.00 0.00 C ATOM 675 CE2 TYR A 553 -1.443 -9.827 -1.153 1.00 0.00 C ATOM 676 CZ TYR A 553 -0.655 -8.858 -0.570 1.00 0.00 C ATOM 677 OH TYR A 553 0.690 -8.815 -0.841 1.00 0.00 O ATOM 0 H TYR A 553 -5.310 -6.223 0.547 1.00 0.00 H new ATOM 0 HA TYR A 553 -5.677 -8.273 -1.542 1.00 0.00 H new ATOM 0 HB2 TYR A 553 -4.991 -8.812 1.376 1.00 0.00 H new ATOM 0 HB3 TYR A 553 -5.219 -10.009 0.116 1.00 0.00 H new ATOM 0 HD1 TYR A 553 -2.981 -7.269 1.256 1.00 0.00 H new ATOM 0 HD2 TYR A 553 -3.409 -10.628 -1.329 1.00 0.00 H new ATOM 0 HE1 TYR A 553 -0.585 -7.179 0.747 1.00 0.00 H new ATOM 0 HE2 TYR A 553 -1.007 -10.548 -1.828 1.00 0.00 H new ATOM 0 HH TYR A 553 1.195 -8.890 -0.004 1.00 0.00 H new ATOM 687 N GLY A 554 -8.015 -8.598 -0.786 1.00 0.00 N ATOM 688 CA GLY A 554 -9.380 -8.792 -0.350 1.00 0.00 C ATOM 689 C GLY A 554 -9.462 -9.861 0.718 1.00 0.00 C ATOM 690 O GLY A 554 -8.945 -10.962 0.530 1.00 0.00 O ATOM 0 H GLY A 554 -7.816 -8.925 -1.732 1.00 0.00 H new ATOM 0 HA2 GLY A 554 -9.778 -7.854 0.038 1.00 0.00 H new ATOM 0 HA3 GLY A 554 -10.000 -9.074 -1.201 1.00 0.00 H new ATOM 694 N PRO A 555 -10.113 -9.569 1.853 1.00 0.00 N ATOM 695 CA PRO A 555 -10.159 -10.483 3.003 1.00 0.00 C ATOM 696 C PRO A 555 -10.976 -11.740 2.733 1.00 0.00 C ATOM 697 O PRO A 555 -11.008 -12.662 3.551 1.00 0.00 O ATOM 698 CB PRO A 555 -10.827 -9.648 4.096 1.00 0.00 C ATOM 699 CG PRO A 555 -11.621 -8.620 3.367 1.00 0.00 C ATOM 700 CD PRO A 555 -10.862 -8.326 2.104 1.00 0.00 C ATOM 0 HA PRO A 555 -9.164 -10.845 3.262 1.00 0.00 H new ATOM 0 HB2 PRO A 555 -11.466 -10.265 4.728 1.00 0.00 H new ATOM 0 HB3 PRO A 555 -10.086 -9.185 4.747 1.00 0.00 H new ATOM 0 HG2 PRO A 555 -12.623 -8.987 3.143 1.00 0.00 H new ATOM 0 HG3 PRO A 555 -11.739 -7.719 3.969 1.00 0.00 H new ATOM 0 HD2 PRO A 555 -11.533 -8.089 1.279 1.00 0.00 H new ATOM 0 HD3 PRO A 555 -10.194 -7.473 2.227 1.00 0.00 H new ATOM 708 N CYS A 556 -11.638 -11.767 1.588 1.00 0.00 N ATOM 709 CA CYS A 556 -12.509 -12.871 1.236 1.00 0.00 C ATOM 710 C CYS A 556 -12.289 -13.306 -0.209 1.00 0.00 C ATOM 711 O CYS A 556 -13.002 -14.177 -0.710 1.00 0.00 O ATOM 712 CB CYS A 556 -13.972 -12.467 1.432 1.00 0.00 C ATOM 713 SG CYS A 556 -14.367 -11.881 3.098 1.00 0.00 S ATOM 0 H CYS A 556 -11.587 -11.031 0.884 1.00 0.00 H new ATOM 0 HA CYS A 556 -12.270 -13.710 1.889 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -14.219 -11.683 0.716 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -14.607 -13.322 1.200 1.00 0.00 H new ATOM 0 HG CYS A 556 -15.626 -11.563 3.159 1.00 0.00 H new ATOM 719 N GLY A 557 -11.304 -12.720 -0.884 1.00 0.00 N ATOM 720 CA GLY A 557 -11.207 -12.903 -2.316 1.00 0.00 C ATOM 721 C GLY A 557 -9.812 -12.652 -2.860 1.00 0.00 C ATOM 722 O GLY A 557 -8.811 -12.980 -2.219 1.00 0.00 O ATOM 0 H GLY A 557 -10.582 -12.130 -0.470 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -11.510 -13.920 -2.567 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -11.909 -12.230 -2.810 1.00 0.00 H new ATOM 726 N LYS A 558 -9.764 -12.055 -4.043 1.00 0.00 N ATOM 727 CA LYS A 558 -8.503 -11.825 -4.746 1.00 0.00 C ATOM 728 C LYS A 558 -7.735 -10.651 -4.143 1.00 0.00 C ATOM 729 O LYS A 558 -8.160 -10.067 -3.145 1.00 0.00 O ATOM 730 CB LYS A 558 -8.728 -11.596 -6.250 1.00 0.00 C ATOM 731 CG LYS A 558 -9.525 -10.346 -6.610 1.00 0.00 C ATOM 732 CD LYS A 558 -11.022 -10.607 -6.598 1.00 0.00 C ATOM 733 CE LYS A 558 -11.774 -9.597 -7.452 1.00 0.00 C ATOM 734 NZ LYS A 558 -11.407 -9.710 -8.891 1.00 0.00 N ATOM 0 H LYS A 558 -10.588 -11.718 -4.541 1.00 0.00 H new ATOM 0 HA LYS A 558 -7.903 -12.727 -4.625 1.00 0.00 H new ATOM 0 HB2 LYS A 558 -7.756 -11.541 -6.741 1.00 0.00 H new ATOM 0 HB3 LYS A 558 -9.243 -12.465 -6.659 1.00 0.00 H new ATOM 0 HG2 LYS A 558 -9.289 -9.549 -5.904 1.00 0.00 H new ATOM 0 HG3 LYS A 558 -9.225 -9.996 -7.598 1.00 0.00 H new ATOM 0 HD2 LYS A 558 -11.219 -11.614 -6.966 1.00 0.00 H new ATOM 0 HD3 LYS A 558 -11.391 -10.564 -5.573 1.00 0.00 H new ATOM 0 HE2 LYS A 558 -12.847 -9.751 -7.337 1.00 0.00 H new ATOM 0 HE3 LYS A 558 -11.557 -8.589 -7.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 558 -12.193 -9.365 -9.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 558 -10.558 -9.139 -9.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 558 -11.213 -10.705 -9.123 1.00 0.00 H new ATOM 748 N ARG A 559 -6.604 -10.302 -4.747 1.00 0.00 N ATOM 749 CA ARG A 559 -5.817 -9.182 -4.261 1.00 0.00 C ATOM 750 C ARG A 559 -5.690 -8.118 -5.339 1.00 0.00 C ATOM 751 O ARG A 559 -5.501 -8.423 -6.519 1.00 0.00 O ATOM 752 CB ARG A 559 -4.429 -9.623 -3.766 1.00 0.00 C ATOM 753 CG ARG A 559 -3.373 -9.787 -4.852 1.00 0.00 C ATOM 754 CD ARG A 559 -3.506 -11.106 -5.590 1.00 0.00 C ATOM 755 NE ARG A 559 -2.511 -11.229 -6.653 1.00 0.00 N ATOM 756 CZ ARG A 559 -1.762 -12.311 -6.862 1.00 0.00 C ATOM 757 NH1 ARG A 559 -1.893 -13.383 -6.093 1.00 0.00 N ATOM 758 NH2 ARG A 559 -0.876 -12.317 -7.847 1.00 0.00 N ATOM 0 H ARG A 559 -6.218 -10.774 -5.564 1.00 0.00 H new ATOM 0 HA ARG A 559 -6.343 -8.758 -3.406 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -4.071 -8.892 -3.041 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -4.534 -10.571 -3.238 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -3.456 -8.965 -5.563 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -2.381 -9.722 -4.404 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -3.392 -11.931 -4.886 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -4.506 -11.186 -6.016 1.00 0.00 H new ATOM 0 HE ARG A 559 -2.381 -10.433 -7.277 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -2.572 -13.385 -5.332 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -1.314 -14.206 -6.262 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -0.769 -11.495 -8.442 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -0.301 -13.143 -8.010 1.00 0.00 H new ATOM 772 N MET A 560 -5.818 -6.876 -4.921 1.00 0.00 N ATOM 773 CA MET A 560 -5.786 -5.761 -5.838 1.00 0.00 C ATOM 774 C MET A 560 -4.665 -4.809 -5.466 1.00 0.00 C ATOM 775 O MET A 560 -4.375 -4.612 -4.291 1.00 0.00 O ATOM 776 CB MET A 560 -7.129 -5.026 -5.832 1.00 0.00 C ATOM 777 CG MET A 560 -8.320 -5.896 -6.226 1.00 0.00 C ATOM 778 SD MET A 560 -8.813 -7.072 -4.946 1.00 0.00 S ATOM 779 CE MET A 560 -9.042 -5.976 -3.551 1.00 0.00 C ATOM 0 H MET A 560 -5.946 -6.614 -3.943 1.00 0.00 H new ATOM 0 HA MET A 560 -5.604 -6.142 -6.843 1.00 0.00 H new ATOM 0 HB2 MET A 560 -7.304 -4.620 -4.836 1.00 0.00 H new ATOM 0 HB3 MET A 560 -7.070 -4.179 -6.516 1.00 0.00 H new ATOM 0 HG2 MET A 560 -9.167 -5.252 -6.462 1.00 0.00 H new ATOM 0 HG3 MET A 560 -8.074 -6.444 -7.135 1.00 0.00 H new ATOM 0 HE1 MET A 560 -9.819 -6.375 -2.899 1.00 0.00 H new ATOM 0 HE2 MET A 560 -8.108 -5.895 -2.995 1.00 0.00 H new ATOM 0 HE3 MET A 560 -9.339 -4.990 -3.908 1.00 0.00 H new ATOM 789 N LYS A 561 -4.036 -4.214 -6.460 1.00 0.00 N ATOM 790 CA LYS A 561 -2.974 -3.260 -6.204 1.00 0.00 C ATOM 791 C LYS A 561 -3.112 -2.058 -7.134 1.00 0.00 C ATOM 792 O LYS A 561 -2.240 -1.189 -7.207 1.00 0.00 O ATOM 793 CB LYS A 561 -1.604 -3.924 -6.333 1.00 0.00 C ATOM 794 CG LYS A 561 -1.315 -4.536 -7.697 1.00 0.00 C ATOM 795 CD LYS A 561 -0.474 -3.613 -8.563 1.00 0.00 C ATOM 796 CE LYS A 561 0.940 -3.489 -8.022 1.00 0.00 C ATOM 797 NZ LYS A 561 1.791 -2.606 -8.857 1.00 0.00 N ATOM 0 H LYS A 561 -4.240 -4.372 -7.447 1.00 0.00 H new ATOM 0 HA LYS A 561 -3.061 -2.901 -5.179 1.00 0.00 H new ATOM 0 HB2 LYS A 561 -0.835 -3.183 -6.113 1.00 0.00 H new ATOM 0 HB3 LYS A 561 -1.521 -4.704 -5.576 1.00 0.00 H new ATOM 0 HG2 LYS A 561 -0.796 -5.485 -7.567 1.00 0.00 H new ATOM 0 HG3 LYS A 561 -2.255 -4.754 -8.204 1.00 0.00 H new ATOM 0 HD2 LYS A 561 -0.444 -3.995 -9.583 1.00 0.00 H new ATOM 0 HD3 LYS A 561 -0.938 -2.627 -8.605 1.00 0.00 H new ATOM 0 HE2 LYS A 561 0.904 -3.098 -7.005 1.00 0.00 H new ATOM 0 HE3 LYS A 561 1.393 -4.479 -7.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 2.776 -2.660 -8.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 1.741 -2.913 -9.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 1.454 -1.625 -8.780 1.00 0.00 H new ATOM 811 N GLN A 562 -4.234 -2.029 -7.830 1.00 0.00 N ATOM 812 CA GLN A 562 -4.603 -0.901 -8.661 1.00 0.00 C ATOM 813 C GLN A 562 -5.917 -0.324 -8.172 1.00 0.00 C ATOM 814 O GLN A 562 -6.788 -1.056 -7.701 1.00 0.00 O ATOM 815 CB GLN A 562 -4.735 -1.322 -10.123 1.00 0.00 C ATOM 816 CG GLN A 562 -3.479 -1.947 -10.709 1.00 0.00 C ATOM 817 CD GLN A 562 -2.305 -0.985 -10.798 1.00 0.00 C ATOM 818 OE1 GLN A 562 -1.146 -1.392 -10.704 1.00 0.00 O ATOM 819 NE2 GLN A 562 -2.588 0.293 -10.996 1.00 0.00 N ATOM 0 H GLN A 562 -4.915 -2.789 -7.834 1.00 0.00 H new ATOM 0 HA GLN A 562 -3.820 -0.146 -8.592 1.00 0.00 H new ATOM 0 HB2 GLN A 562 -5.556 -2.033 -10.212 1.00 0.00 H new ATOM 0 HB3 GLN A 562 -5.004 -0.449 -10.718 1.00 0.00 H new ATOM 0 HG2 GLN A 562 -3.191 -2.803 -10.099 1.00 0.00 H new ATOM 0 HG3 GLN A 562 -3.703 -2.327 -11.706 1.00 0.00 H new ATOM 0 HE21 GLN A 562 -3.560 0.595 -11.069 1.00 0.00 H new ATOM 0 HE22 GLN A 562 -1.834 0.976 -11.076 1.00 0.00 H new ATOM 828 N PHE A 563 -6.053 0.985 -8.284 1.00 0.00 N ATOM 829 CA PHE A 563 -7.276 1.676 -7.897 1.00 0.00 C ATOM 830 C PHE A 563 -8.503 1.095 -8.619 1.00 0.00 C ATOM 831 O PHE A 563 -9.501 0.774 -7.971 1.00 0.00 O ATOM 832 CB PHE A 563 -7.141 3.176 -8.181 1.00 0.00 C ATOM 833 CG PHE A 563 -8.281 4.008 -7.662 1.00 0.00 C ATOM 834 CD1 PHE A 563 -8.801 3.788 -6.397 1.00 0.00 C ATOM 835 CD2 PHE A 563 -8.828 5.014 -8.440 1.00 0.00 C ATOM 836 CE1 PHE A 563 -9.844 4.556 -5.919 1.00 0.00 C ATOM 837 CE2 PHE A 563 -9.870 5.787 -7.967 1.00 0.00 C ATOM 838 CZ PHE A 563 -10.379 5.559 -6.704 1.00 0.00 C ATOM 0 H PHE A 563 -5.323 1.600 -8.644 1.00 0.00 H new ATOM 0 HA PHE A 563 -7.426 1.529 -6.828 1.00 0.00 H new ATOM 0 HB2 PHE A 563 -6.212 3.536 -7.738 1.00 0.00 H new ATOM 0 HB3 PHE A 563 -7.059 3.324 -9.258 1.00 0.00 H new ATOM 0 HD1 PHE A 563 -8.386 3.007 -5.778 1.00 0.00 H new ATOM 0 HD2 PHE A 563 -8.435 5.197 -9.429 1.00 0.00 H new ATOM 0 HE1 PHE A 563 -10.242 4.373 -4.932 1.00 0.00 H new ATOM 0 HE2 PHE A 563 -10.286 6.569 -8.584 1.00 0.00 H new ATOM 0 HZ PHE A 563 -11.193 6.163 -6.331 1.00 0.00 H new ATOM 848 N PRO A 564 -8.448 0.921 -9.962 1.00 0.00 N ATOM 849 CA PRO A 564 -9.570 0.361 -10.726 1.00 0.00 C ATOM 850 C PRO A 564 -9.883 -1.083 -10.334 1.00 0.00 C ATOM 851 O PRO A 564 -10.967 -1.591 -10.626 1.00 0.00 O ATOM 852 CB PRO A 564 -9.096 0.432 -12.181 1.00 0.00 C ATOM 853 CG PRO A 564 -7.613 0.497 -12.094 1.00 0.00 C ATOM 854 CD PRO A 564 -7.315 1.260 -10.843 1.00 0.00 C ATOM 0 HA PRO A 564 -10.493 0.910 -10.542 1.00 0.00 H new ATOM 0 HB2 PRO A 564 -9.421 -0.441 -12.746 1.00 0.00 H new ATOM 0 HB3 PRO A 564 -9.501 1.308 -12.687 1.00 0.00 H new ATOM 0 HG2 PRO A 564 -7.179 -0.502 -12.056 1.00 0.00 H new ATOM 0 HG3 PRO A 564 -7.191 0.995 -12.967 1.00 0.00 H new ATOM 0 HD2 PRO A 564 -6.362 0.961 -10.406 1.00 0.00 H new ATOM 0 HD3 PRO A 564 -7.257 2.332 -11.030 1.00 0.00 H new ATOM 862 N GLU A 565 -8.949 -1.729 -9.638 1.00 0.00 N ATOM 863 CA GLU A 565 -9.153 -3.083 -9.130 1.00 0.00 C ATOM 864 C GLU A 565 -9.892 -3.064 -7.797 1.00 0.00 C ATOM 865 O GLU A 565 -10.587 -4.013 -7.441 1.00 0.00 O ATOM 866 CB GLU A 565 -7.814 -3.799 -8.964 1.00 0.00 C ATOM 867 CG GLU A 565 -7.086 -4.073 -10.267 1.00 0.00 C ATOM 868 CD GLU A 565 -5.716 -4.683 -10.043 1.00 0.00 C ATOM 869 OE1 GLU A 565 -5.218 -4.646 -8.896 1.00 0.00 O ATOM 870 OE2 GLU A 565 -5.126 -5.197 -11.016 1.00 0.00 O ATOM 0 H GLU A 565 -8.037 -1.332 -9.412 1.00 0.00 H new ATOM 0 HA GLU A 565 -9.761 -3.622 -9.857 1.00 0.00 H new ATOM 0 HB2 GLU A 565 -7.171 -3.197 -8.322 1.00 0.00 H new ATOM 0 HB3 GLU A 565 -7.983 -4.745 -8.450 1.00 0.00 H new ATOM 0 HG2 GLU A 565 -7.685 -4.746 -10.881 1.00 0.00 H new ATOM 0 HG3 GLU A 565 -6.980 -3.142 -10.824 1.00 0.00 H new ATOM 877 N VAL A 566 -9.732 -1.989 -7.054 1.00 0.00 N ATOM 878 CA VAL A 566 -10.397 -1.876 -5.768 1.00 0.00 C ATOM 879 C VAL A 566 -11.869 -1.516 -5.959 1.00 0.00 C ATOM 880 O VAL A 566 -12.748 -2.116 -5.340 1.00 0.00 O ATOM 881 CB VAL A 566 -9.694 -0.860 -4.844 1.00 0.00 C ATOM 882 CG1 VAL A 566 -10.529 -0.581 -3.603 1.00 0.00 C ATOM 883 CG2 VAL A 566 -8.316 -1.384 -4.451 1.00 0.00 C ATOM 0 H VAL A 566 -9.155 -1.188 -7.312 1.00 0.00 H new ATOM 0 HA VAL A 566 -10.337 -2.848 -5.278 1.00 0.00 H new ATOM 0 HB VAL A 566 -9.578 0.078 -5.387 1.00 0.00 H new ATOM 0 HG11 VAL A 566 -10.010 0.138 -2.969 1.00 0.00 H new ATOM 0 HG12 VAL A 566 -11.495 -0.173 -3.899 1.00 0.00 H new ATOM 0 HG13 VAL A 566 -10.681 -1.508 -3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 566 -7.825 -0.662 -3.799 1.00 0.00 H new ATOM 0 HG22 VAL A 566 -8.424 -2.333 -3.926 1.00 0.00 H new ATOM 0 HG23 VAL A 566 -7.714 -1.532 -5.347 1.00 0.00 H new ATOM 893 N ILE A 567 -12.131 -0.563 -6.853 1.00 0.00 N ATOM 894 CA ILE A 567 -13.503 -0.117 -7.134 1.00 0.00 C ATOM 895 C ILE A 567 -14.368 -1.278 -7.618 1.00 0.00 C ATOM 896 O ILE A 567 -15.565 -1.345 -7.329 1.00 0.00 O ATOM 897 CB ILE A 567 -13.544 1.001 -8.199 1.00 0.00 C ATOM 898 CG1 ILE A 567 -12.390 1.977 -7.995 1.00 0.00 C ATOM 899 CG2 ILE A 567 -14.872 1.744 -8.135 1.00 0.00 C ATOM 900 CD1 ILE A 567 -12.355 2.591 -6.617 1.00 0.00 C ATOM 0 H ILE A 567 -11.414 -0.083 -7.397 1.00 0.00 H new ATOM 0 HA ILE A 567 -13.895 0.275 -6.195 1.00 0.00 H new ATOM 0 HB ILE A 567 -13.443 0.542 -9.182 1.00 0.00 H new ATOM 0 HG12 ILE A 567 -11.449 1.457 -8.176 1.00 0.00 H new ATOM 0 HG13 ILE A 567 -12.463 2.773 -8.737 1.00 0.00 H new ATOM 0 HG21 ILE A 567 -14.887 2.529 -8.891 1.00 0.00 H new ATOM 0 HG22 ILE A 567 -15.689 1.046 -8.320 1.00 0.00 H new ATOM 0 HG23 ILE A 567 -14.993 2.189 -7.147 1.00 0.00 H new ATOM 0 HD11 ILE A 567 -11.509 3.274 -6.544 1.00 0.00 H new ATOM 0 HD12 ILE A 567 -13.280 3.139 -6.439 1.00 0.00 H new ATOM 0 HD13 ILE A 567 -12.251 1.804 -5.870 1.00 0.00 H new ATOM 912 N LYS A 568 -13.747 -2.203 -8.332 1.00 0.00 N ATOM 913 CA LYS A 568 -14.478 -3.356 -8.832 1.00 0.00 C ATOM 914 C LYS A 568 -14.780 -4.339 -7.710 1.00 0.00 C ATOM 915 O LYS A 568 -15.866 -4.906 -7.658 1.00 0.00 O ATOM 916 CB LYS A 568 -13.748 -4.043 -9.990 1.00 0.00 C ATOM 917 CG LYS A 568 -12.338 -4.477 -9.664 1.00 0.00 C ATOM 918 CD LYS A 568 -11.680 -5.199 -10.832 1.00 0.00 C ATOM 919 CE LYS A 568 -11.501 -4.288 -12.036 1.00 0.00 C ATOM 920 NZ LYS A 568 -10.914 -5.005 -13.196 1.00 0.00 N ATOM 0 H LYS A 568 -12.757 -2.180 -8.575 1.00 0.00 H new ATOM 0 HA LYS A 568 -15.426 -2.990 -9.227 1.00 0.00 H new ATOM 0 HB2 LYS A 568 -14.322 -4.916 -10.300 1.00 0.00 H new ATOM 0 HB3 LYS A 568 -13.719 -3.362 -10.841 1.00 0.00 H new ATOM 0 HG2 LYS A 568 -11.743 -3.604 -9.395 1.00 0.00 H new ATOM 0 HG3 LYS A 568 -12.352 -5.133 -8.794 1.00 0.00 H new ATOM 0 HD2 LYS A 568 -10.709 -5.583 -10.520 1.00 0.00 H new ATOM 0 HD3 LYS A 568 -12.287 -6.059 -11.115 1.00 0.00 H new ATOM 0 HE2 LYS A 568 -12.466 -3.869 -12.320 1.00 0.00 H new ATOM 0 HE3 LYS A 568 -10.858 -3.451 -11.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 -10.809 -4.347 -13.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 -9.981 -5.383 -12.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 -11.540 -5.788 -13.473 1.00 0.00 H new ATOM 934 N TYR A 569 -13.833 -4.522 -6.792 1.00 0.00 N ATOM 935 CA TYR A 569 -13.989 -5.478 -5.707 1.00 0.00 C ATOM 936 C TYR A 569 -15.118 -5.044 -4.785 1.00 0.00 C ATOM 937 O TYR A 569 -15.931 -5.862 -4.361 1.00 0.00 O ATOM 938 CB TYR A 569 -12.680 -5.603 -4.919 1.00 0.00 C ATOM 939 CG TYR A 569 -12.688 -6.692 -3.865 1.00 0.00 C ATOM 940 CD1 TYR A 569 -13.246 -6.471 -2.612 1.00 0.00 C ATOM 941 CD2 TYR A 569 -12.128 -7.938 -4.122 1.00 0.00 C ATOM 942 CE1 TYR A 569 -13.248 -7.459 -1.646 1.00 0.00 C ATOM 943 CE2 TYR A 569 -12.123 -8.932 -3.161 1.00 0.00 C ATOM 944 CZ TYR A 569 -12.685 -8.687 -1.924 1.00 0.00 C ATOM 945 OH TYR A 569 -12.683 -9.672 -0.960 1.00 0.00 O ATOM 0 H TYR A 569 -12.947 -4.016 -6.782 1.00 0.00 H new ATOM 0 HA TYR A 569 -14.236 -6.452 -6.130 1.00 0.00 H new ATOM 0 HB2 TYR A 569 -11.866 -5.796 -5.618 1.00 0.00 H new ATOM 0 HB3 TYR A 569 -12.467 -4.649 -4.437 1.00 0.00 H new ATOM 0 HD1 TYR A 569 -13.686 -5.510 -2.389 1.00 0.00 H new ATOM 0 HD2 TYR A 569 -11.689 -8.133 -5.089 1.00 0.00 H new ATOM 0 HE1 TYR A 569 -13.688 -7.271 -0.678 1.00 0.00 H new ATOM 0 HE2 TYR A 569 -11.682 -9.894 -3.377 1.00 0.00 H new ATOM 0 HH TYR A 569 -12.714 -10.552 -1.391 1.00 0.00 H new ATOM 955 N LEU A 570 -15.172 -3.749 -4.506 1.00 0.00 N ATOM 956 CA LEU A 570 -16.178 -3.195 -3.608 1.00 0.00 C ATOM 957 C LEU A 570 -17.563 -3.333 -4.222 1.00 0.00 C ATOM 958 O LEU A 570 -18.554 -3.531 -3.524 1.00 0.00 O ATOM 959 CB LEU A 570 -15.889 -1.719 -3.336 1.00 0.00 C ATOM 960 CG LEU A 570 -14.445 -1.388 -2.959 1.00 0.00 C ATOM 961 CD1 LEU A 570 -14.303 0.091 -2.656 1.00 0.00 C ATOM 962 CD2 LEU A 570 -13.991 -2.221 -1.775 1.00 0.00 C ATOM 0 H LEU A 570 -14.527 -3.058 -4.891 1.00 0.00 H new ATOM 0 HA LEU A 570 -16.143 -3.747 -2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -16.154 -1.145 -4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -16.542 -1.381 -2.531 1.00 0.00 H new ATOM 0 HG LEU A 570 -13.806 -1.631 -3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -13.269 0.310 -2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -14.582 0.671 -3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -14.956 0.356 -1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -12.961 -1.968 -1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -14.633 -2.016 -0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -14.053 -3.279 -2.029 1.00 0.00 H new ATOM 974 N SER A 571 -17.614 -3.200 -5.536 1.00 0.00 N ATOM 975 CA SER A 571 -18.852 -3.343 -6.277 1.00 0.00 C ATOM 976 C SER A 571 -19.284 -4.812 -6.359 1.00 0.00 C ATOM 977 O SER A 571 -20.450 -5.141 -6.139 1.00 0.00 O ATOM 978 CB SER A 571 -18.665 -2.759 -7.677 1.00 0.00 C ATOM 979 OG SER A 571 -18.270 -1.394 -7.608 1.00 0.00 O ATOM 0 H SER A 571 -16.801 -2.991 -6.116 1.00 0.00 H new ATOM 0 HA SER A 571 -19.641 -2.801 -5.756 1.00 0.00 H new ATOM 0 HB2 SER A 571 -17.912 -3.333 -8.217 1.00 0.00 H new ATOM 0 HB3 SER A 571 -19.595 -2.845 -8.239 1.00 0.00 H new ATOM 0 HG SER A 571 -17.312 -1.340 -7.410 1.00 0.00 H new ATOM 985 N ARG A 572 -18.326 -5.688 -6.654 1.00 0.00 N ATOM 986 CA ARG A 572 -18.605 -7.107 -6.881 1.00 0.00 C ATOM 987 C ARG A 572 -18.863 -7.855 -5.578 1.00 0.00 C ATOM 988 O ARG A 572 -19.686 -8.769 -5.527 1.00 0.00 O ATOM 989 CB ARG A 572 -17.433 -7.757 -7.620 1.00 0.00 C ATOM 990 CG ARG A 572 -17.242 -7.234 -9.031 1.00 0.00 C ATOM 991 CD ARG A 572 -15.899 -7.647 -9.615 1.00 0.00 C ATOM 992 NE ARG A 572 -15.660 -9.085 -9.513 1.00 0.00 N ATOM 993 CZ ARG A 572 -14.774 -9.750 -10.251 1.00 0.00 C ATOM 994 NH1 ARG A 572 -14.085 -9.123 -11.196 1.00 0.00 N ATOM 995 NH2 ARG A 572 -14.586 -11.047 -10.046 1.00 0.00 N ATOM 0 H ARG A 572 -17.341 -5.438 -6.742 1.00 0.00 H new ATOM 0 HA ARG A 572 -19.509 -7.169 -7.486 1.00 0.00 H new ATOM 0 HB2 ARG A 572 -16.518 -7.589 -7.052 1.00 0.00 H new ATOM 0 HB3 ARG A 572 -17.591 -8.835 -7.659 1.00 0.00 H new ATOM 0 HG2 ARG A 572 -18.044 -7.607 -9.668 1.00 0.00 H new ATOM 0 HG3 ARG A 572 -17.317 -6.147 -9.028 1.00 0.00 H new ATOM 0 HD2 ARG A 572 -15.855 -7.349 -10.662 1.00 0.00 H new ATOM 0 HD3 ARG A 572 -15.102 -7.112 -9.098 1.00 0.00 H new ATOM 0 HE ARG A 572 -16.207 -9.613 -8.833 1.00 0.00 H new ATOM 0 HH11 ARG A 572 -14.233 -8.127 -11.359 1.00 0.00 H new ATOM 0 HH12 ARG A 572 -13.407 -9.637 -11.759 1.00 0.00 H new ATOM 0 HH21 ARG A 572 -15.120 -11.532 -9.325 1.00 0.00 H new ATOM 0 HH22 ARG A 572 -13.908 -11.559 -10.610 1.00 0.00 H new ATOM 1009 N ASN A 573 -18.157 -7.470 -4.532 1.00 0.00 N ATOM 1010 CA ASN A 573 -18.257 -8.148 -3.247 1.00 0.00 C ATOM 1011 C ASN A 573 -19.007 -7.271 -2.265 1.00 0.00 C ATOM 1012 O ASN A 573 -19.271 -6.105 -2.551 1.00 0.00 O ATOM 1013 CB ASN A 573 -16.861 -8.468 -2.705 1.00 0.00 C ATOM 1014 CG ASN A 573 -16.086 -9.406 -3.611 1.00 0.00 C ATOM 1015 OD1 ASN A 573 -16.074 -10.621 -3.408 1.00 0.00 O ATOM 1016 ND2 ASN A 573 -15.451 -8.851 -4.635 1.00 0.00 N ATOM 0 H ASN A 573 -17.503 -6.687 -4.544 1.00 0.00 H new ATOM 0 HA ASN A 573 -18.800 -9.083 -3.381 1.00 0.00 H new ATOM 0 HB2 ASN A 573 -16.301 -7.541 -2.583 1.00 0.00 H new ATOM 0 HB3 ASN A 573 -16.953 -8.917 -1.716 1.00 0.00 H new ATOM 0 HD21 ASN A 573 -14.929 -9.435 -5.288 1.00 0.00 H new ATOM 0 HD22 ASN A 573 -15.485 -7.840 -4.769 1.00 0.00 H new ATOM 1023 N VAL A 574 -19.358 -7.817 -1.114 1.00 0.00 N ATOM 1024 CA VAL A 574 -20.078 -7.042 -0.120 1.00 0.00 C ATOM 1025 C VAL A 574 -19.102 -6.357 0.824 1.00 0.00 C ATOM 1026 O VAL A 574 -18.358 -7.016 1.555 1.00 0.00 O ATOM 1027 CB VAL A 574 -21.049 -7.922 0.695 1.00 0.00 C ATOM 1028 CG1 VAL A 574 -21.829 -7.081 1.696 1.00 0.00 C ATOM 1029 CG2 VAL A 574 -21.997 -8.670 -0.230 1.00 0.00 C ATOM 0 H VAL A 574 -19.159 -8.781 -0.847 1.00 0.00 H new ATOM 0 HA VAL A 574 -20.662 -6.291 -0.653 1.00 0.00 H new ATOM 0 HB VAL A 574 -20.462 -8.654 1.250 1.00 0.00 H new ATOM 0 HG11 VAL A 574 -22.507 -7.722 2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 574 -21.135 -6.595 2.382 1.00 0.00 H new ATOM 0 HG13 VAL A 574 -22.404 -6.323 1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 574 -22.674 -9.285 0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 574 -22.575 -7.954 -0.815 1.00 0.00 H new ATOM 0 HG23 VAL A 574 -21.422 -9.307 -0.902 1.00 0.00 H new ATOM 1039 N VAL A 575 -19.114 -5.032 0.797 1.00 0.00 N ATOM 1040 CA VAL A 575 -18.270 -4.221 1.662 1.00 0.00 C ATOM 1041 C VAL A 575 -19.016 -2.940 2.010 1.00 0.00 C ATOM 1042 O VAL A 575 -19.587 -2.302 1.129 1.00 0.00 O ATOM 1043 CB VAL A 575 -16.925 -3.835 0.990 1.00 0.00 C ATOM 1044 CG1 VAL A 575 -16.033 -3.087 1.963 1.00 0.00 C ATOM 1045 CG2 VAL A 575 -16.191 -5.051 0.453 1.00 0.00 C ATOM 0 H VAL A 575 -19.711 -4.488 0.173 1.00 0.00 H new ATOM 0 HA VAL A 575 -18.044 -4.813 2.549 1.00 0.00 H new ATOM 0 HB VAL A 575 -17.164 -3.185 0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 575 -15.096 -2.826 1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 575 -16.536 -2.177 2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 575 -15.826 -3.719 2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 575 -15.255 -4.736 -0.009 1.00 0.00 H new ATOM 0 HG22 VAL A 575 -15.978 -5.739 1.272 1.00 0.00 H new ATOM 0 HG23 VAL A 575 -16.812 -5.552 -0.290 1.00 0.00 H new ATOM 1055 N HIS A 576 -19.029 -2.570 3.279 1.00 0.00 N ATOM 1056 CA HIS A 576 -19.704 -1.347 3.695 1.00 0.00 C ATOM 1057 C HIS A 576 -18.867 -0.589 4.720 1.00 0.00 C ATOM 1058 O HIS A 576 -18.962 0.633 4.831 1.00 0.00 O ATOM 1059 CB HIS A 576 -21.088 -1.666 4.269 1.00 0.00 C ATOM 1060 CG HIS A 576 -21.969 -0.462 4.423 1.00 0.00 C ATOM 1061 ND1 HIS A 576 -22.871 -0.109 3.450 1.00 0.00 N ATOM 1062 CD2 HIS A 576 -22.043 0.433 5.438 1.00 0.00 C ATOM 1063 CE1 HIS A 576 -23.468 0.986 3.888 1.00 0.00 C ATOM 1064 NE2 HIS A 576 -22.999 1.353 5.090 1.00 0.00 N ATOM 0 H HIS A 576 -18.585 -3.091 4.035 1.00 0.00 H new ATOM 0 HA HIS A 576 -19.829 -0.713 2.817 1.00 0.00 H new ATOM 0 HB2 HIS A 576 -21.584 -2.387 3.619 1.00 0.00 H new ATOM 0 HB3 HIS A 576 -20.967 -2.144 5.241 1.00 0.00 H new ATOM 0 HD2 HIS A 576 -21.460 0.424 6.347 1.00 0.00 H new ATOM 0 HE1 HIS A 576 -24.236 1.518 3.347 1.00 0.00 H new ATOM 0 HE2 HIS A 576 -23.296 2.160 5.639 1.00 0.00 H new ATOM 1072 N SER A 577 -18.033 -1.318 5.449 1.00 0.00 N ATOM 1073 CA SER A 577 -17.197 -0.725 6.481 1.00 0.00 C ATOM 1074 C SER A 577 -16.136 0.177 5.858 1.00 0.00 C ATOM 1075 O SER A 577 -15.825 1.250 6.376 1.00 0.00 O ATOM 1076 CB SER A 577 -16.536 -1.835 7.296 1.00 0.00 C ATOM 1077 OG SER A 577 -17.509 -2.725 7.817 1.00 0.00 O ATOM 0 H SER A 577 -17.918 -2.326 5.343 1.00 0.00 H new ATOM 0 HA SER A 577 -17.818 -0.115 7.137 1.00 0.00 H new ATOM 0 HB2 SER A 577 -15.834 -2.384 6.669 1.00 0.00 H new ATOM 0 HB3 SER A 577 -15.961 -1.399 8.113 1.00 0.00 H new ATOM 0 HG SER A 577 -17.065 -3.429 8.334 1.00 0.00 H new ATOM 1083 N VAL A 578 -15.594 -0.269 4.739 1.00 0.00 N ATOM 1084 CA VAL A 578 -14.604 0.512 4.020 1.00 0.00 C ATOM 1085 C VAL A 578 -15.054 0.819 2.600 1.00 0.00 C ATOM 1086 O VAL A 578 -15.653 -0.018 1.927 1.00 0.00 O ATOM 1087 CB VAL A 578 -13.224 -0.182 4.015 1.00 0.00 C ATOM 1088 CG1 VAL A 578 -12.594 -0.091 5.393 1.00 0.00 C ATOM 1089 CG2 VAL A 578 -13.339 -1.638 3.595 1.00 0.00 C ATOM 0 H VAL A 578 -15.822 -1.166 4.309 1.00 0.00 H new ATOM 0 HA VAL A 578 -14.502 1.458 4.552 1.00 0.00 H new ATOM 0 HB VAL A 578 -12.591 0.331 3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -11.621 -0.583 5.382 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -12.468 0.956 5.667 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -13.240 -0.581 6.121 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -12.351 -2.098 3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -13.990 -2.167 4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -13.759 -1.695 2.591 1.00 0.00 H new ATOM 1099 N ARG A 579 -14.808 2.047 2.170 1.00 0.00 N ATOM 1100 CA ARG A 579 -15.131 2.474 0.817 1.00 0.00 C ATOM 1101 C ARG A 579 -13.819 2.749 0.096 1.00 0.00 C ATOM 1102 O ARG A 579 -12.763 2.671 0.721 1.00 0.00 O ATOM 1103 CB ARG A 579 -16.009 3.733 0.836 1.00 0.00 C ATOM 1104 CG ARG A 579 -17.091 3.724 1.910 1.00 0.00 C ATOM 1105 CD ARG A 579 -17.969 2.483 1.837 1.00 0.00 C ATOM 1106 NE ARG A 579 -18.838 2.471 0.662 1.00 0.00 N ATOM 1107 CZ ARG A 579 -19.197 1.362 0.017 1.00 0.00 C ATOM 1108 NH1 ARG A 579 -18.671 0.192 0.356 1.00 0.00 N ATOM 1109 NH2 ARG A 579 -20.067 1.427 -0.982 1.00 0.00 N ATOM 0 H ARG A 579 -14.381 2.773 2.746 1.00 0.00 H new ATOM 0 HA ARG A 579 -15.694 1.696 0.302 1.00 0.00 H new ATOM 0 HB2 ARG A 579 -15.372 4.605 0.985 1.00 0.00 H new ATOM 0 HB3 ARG A 579 -16.482 3.847 -0.139 1.00 0.00 H new ATOM 0 HG2 ARG A 579 -16.624 3.778 2.893 1.00 0.00 H new ATOM 0 HG3 ARG A 579 -17.713 4.613 1.803 1.00 0.00 H new ATOM 0 HD2 ARG A 579 -17.336 1.596 1.824 1.00 0.00 H new ATOM 0 HD3 ARG A 579 -18.582 2.424 2.737 1.00 0.00 H new ATOM 0 HE ARG A 579 -19.190 3.363 0.316 1.00 0.00 H new ATOM 0 HH11 ARG A 579 -17.989 0.139 1.113 1.00 0.00 H new ATOM 0 HH12 ARG A 579 -18.948 -0.655 -0.140 1.00 0.00 H new ATOM 0 HH21 ARG A 579 -20.462 2.326 -1.257 1.00 0.00 H new ATOM 0 HH22 ARG A 579 -20.341 0.577 -1.475 1.00 0.00 H new ATOM 1123 N ARG A 580 -13.861 3.066 -1.197 1.00 0.00 N ATOM 1124 CA ARG A 580 -12.639 3.271 -1.975 1.00 0.00 C ATOM 1125 C ARG A 580 -11.715 4.310 -1.336 1.00 0.00 C ATOM 1126 O ARG A 580 -10.499 4.217 -1.474 1.00 0.00 O ATOM 1127 CB ARG A 580 -12.937 3.661 -3.424 1.00 0.00 C ATOM 1128 CG ARG A 580 -13.715 4.949 -3.590 1.00 0.00 C ATOM 1129 CD ARG A 580 -15.205 4.689 -3.681 1.00 0.00 C ATOM 1130 NE ARG A 580 -15.947 5.888 -4.058 1.00 0.00 N ATOM 1131 CZ ARG A 580 -17.210 5.883 -4.478 1.00 0.00 C ATOM 1132 NH1 ARG A 580 -17.888 4.742 -4.552 1.00 0.00 N ATOM 1133 NH2 ARG A 580 -17.796 7.023 -4.818 1.00 0.00 N ATOM 0 H ARG A 580 -14.724 3.186 -1.727 1.00 0.00 H new ATOM 0 HA ARG A 580 -12.123 2.311 -1.978 1.00 0.00 H new ATOM 0 HB2 ARG A 580 -11.993 3.752 -3.962 1.00 0.00 H new ATOM 0 HB3 ARG A 580 -13.496 2.853 -3.895 1.00 0.00 H new ATOM 0 HG2 ARG A 580 -13.511 5.610 -2.748 1.00 0.00 H new ATOM 0 HG3 ARG A 580 -13.379 5.465 -4.489 1.00 0.00 H new ATOM 0 HD2 ARG A 580 -15.392 3.902 -4.412 1.00 0.00 H new ATOM 0 HD3 ARG A 580 -15.569 4.325 -2.720 1.00 0.00 H new ATOM 0 HE ARG A 580 -15.468 6.786 -3.996 1.00 0.00 H new ATOM 0 HH11 ARG A 580 -17.441 3.865 -4.286 1.00 0.00 H new ATOM 0 HH12 ARG A 580 -18.856 4.744 -4.875 1.00 0.00 H new ATOM 0 HH21 ARG A 580 -17.279 7.900 -4.757 1.00 0.00 H new ATOM 0 HH22 ARG A 580 -18.764 7.023 -5.140 1.00 0.00 H new ATOM 1147 N GLU A 581 -12.284 5.302 -0.646 1.00 0.00 N ATOM 1148 CA GLU A 581 -11.510 6.324 0.061 1.00 0.00 C ATOM 1149 C GLU A 581 -10.569 5.737 1.116 1.00 0.00 C ATOM 1150 O GLU A 581 -9.534 6.326 1.427 1.00 0.00 O ATOM 1151 CB GLU A 581 -12.466 7.315 0.730 1.00 0.00 C ATOM 1152 CG GLU A 581 -13.334 6.684 1.811 1.00 0.00 C ATOM 1153 CD GLU A 581 -14.429 7.605 2.302 1.00 0.00 C ATOM 1154 OE1 GLU A 581 -14.155 8.445 3.182 1.00 0.00 O ATOM 1155 OE2 GLU A 581 -15.574 7.490 1.817 1.00 0.00 O ATOM 0 H GLU A 581 -13.294 5.419 -0.562 1.00 0.00 H new ATOM 0 HA GLU A 581 -10.889 6.825 -0.681 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -11.887 8.128 1.168 1.00 0.00 H new ATOM 0 HB3 GLU A 581 -13.110 7.757 -0.030 1.00 0.00 H new ATOM 0 HG2 GLU A 581 -13.783 5.770 1.421 1.00 0.00 H new ATOM 0 HG3 GLU A 581 -12.704 6.396 2.653 1.00 0.00 H new ATOM 1162 N HIS A 582 -10.933 4.589 1.666 1.00 0.00 N ATOM 1163 CA HIS A 582 -10.159 3.962 2.732 1.00 0.00 C ATOM 1164 C HIS A 582 -8.923 3.266 2.172 1.00 0.00 C ATOM 1165 O HIS A 582 -8.025 2.870 2.911 1.00 0.00 O ATOM 1166 CB HIS A 582 -11.028 2.978 3.519 1.00 0.00 C ATOM 1167 CG HIS A 582 -12.050 3.647 4.390 1.00 0.00 C ATOM 1168 ND1 HIS A 582 -13.391 3.598 4.099 1.00 0.00 N ATOM 1169 CD2 HIS A 582 -11.873 4.359 5.528 1.00 0.00 C ATOM 1170 CE1 HIS A 582 -13.993 4.277 5.061 1.00 0.00 C ATOM 1171 NE2 HIS A 582 -13.113 4.759 5.950 1.00 0.00 N ATOM 0 H HIS A 582 -11.765 4.068 1.391 1.00 0.00 H new ATOM 0 HA HIS A 582 -9.823 4.744 3.413 1.00 0.00 H new ATOM 0 HB2 HIS A 582 -11.537 2.315 2.819 1.00 0.00 H new ATOM 0 HB3 HIS A 582 -10.385 2.354 4.140 1.00 0.00 H new ATOM 0 HD2 HIS A 582 -10.931 4.572 6.012 1.00 0.00 H new ATOM 0 HE1 HIS A 582 -15.061 4.425 5.123 1.00 0.00 H new ATOM 0 HE2 HIS A 582 -13.325 5.315 6.778 1.00 0.00 H new ATOM 1179 N PHE A 583 -8.888 3.130 0.860 1.00 0.00 N ATOM 1180 CA PHE A 583 -7.785 2.457 0.191 1.00 0.00 C ATOM 1181 C PHE A 583 -6.925 3.478 -0.537 1.00 0.00 C ATOM 1182 O PHE A 583 -7.433 4.273 -1.324 1.00 0.00 O ATOM 1183 CB PHE A 583 -8.309 1.412 -0.795 1.00 0.00 C ATOM 1184 CG PHE A 583 -9.282 0.445 -0.186 1.00 0.00 C ATOM 1185 CD1 PHE A 583 -8.844 -0.608 0.589 1.00 0.00 C ATOM 1186 CD2 PHE A 583 -10.637 0.595 -0.395 1.00 0.00 C ATOM 1187 CE1 PHE A 583 -9.741 -1.495 1.146 1.00 0.00 C ATOM 1188 CE2 PHE A 583 -11.542 -0.287 0.157 1.00 0.00 C ATOM 1189 CZ PHE A 583 -11.093 -1.335 0.929 1.00 0.00 C ATOM 0 H PHE A 583 -9.613 3.477 0.232 1.00 0.00 H new ATOM 0 HA PHE A 583 -7.180 1.948 0.941 1.00 0.00 H new ATOM 0 HB2 PHE A 583 -8.790 1.922 -1.630 1.00 0.00 H new ATOM 0 HB3 PHE A 583 -7.466 0.856 -1.205 1.00 0.00 H new ATOM 0 HD1 PHE A 583 -7.786 -0.740 0.762 1.00 0.00 H new ATOM 0 HD2 PHE A 583 -10.995 1.415 -1.000 1.00 0.00 H new ATOM 0 HE1 PHE A 583 -9.384 -2.315 1.752 1.00 0.00 H new ATOM 0 HE2 PHE A 583 -12.600 -0.156 -0.016 1.00 0.00 H new ATOM 0 HZ PHE A 583 -11.797 -2.029 1.363 1.00 0.00 H new ATOM 1199 N SER A 584 -5.627 3.467 -0.280 1.00 0.00 N ATOM 1200 CA SER A 584 -4.724 4.414 -0.909 1.00 0.00 C ATOM 1201 C SER A 584 -3.472 3.679 -1.360 1.00 0.00 C ATOM 1202 O SER A 584 -2.954 2.827 -0.634 1.00 0.00 O ATOM 1203 CB SER A 584 -4.363 5.544 0.058 1.00 0.00 C ATOM 1204 OG SER A 584 -3.745 5.038 1.227 1.00 0.00 O ATOM 0 H SER A 584 -5.176 2.813 0.360 1.00 0.00 H new ATOM 0 HA SER A 584 -5.216 4.861 -1.773 1.00 0.00 H new ATOM 0 HB2 SER A 584 -3.693 6.248 -0.435 1.00 0.00 H new ATOM 0 HB3 SER A 584 -5.263 6.096 0.329 1.00 0.00 H new ATOM 0 HG SER A 584 -3.010 5.630 1.491 1.00 0.00 H new ATOM 1210 N PHE A 585 -2.987 3.994 -2.546 1.00 0.00 N ATOM 1211 CA PHE A 585 -1.840 3.291 -3.089 1.00 0.00 C ATOM 1212 C PHE A 585 -0.585 4.146 -3.052 1.00 0.00 C ATOM 1213 O PHE A 585 0.499 3.689 -3.414 1.00 0.00 O ATOM 1214 CB PHE A 585 -2.130 2.812 -4.506 1.00 0.00 C ATOM 1215 CG PHE A 585 -3.074 1.648 -4.540 1.00 0.00 C ATOM 1216 CD1 PHE A 585 -2.643 0.403 -4.132 1.00 0.00 C ATOM 1217 CD2 PHE A 585 -4.383 1.791 -4.969 1.00 0.00 C ATOM 1218 CE1 PHE A 585 -3.485 -0.681 -4.149 1.00 0.00 C ATOM 1219 CE2 PHE A 585 -5.238 0.703 -4.987 1.00 0.00 C ATOM 1220 CZ PHE A 585 -4.783 -0.536 -4.576 1.00 0.00 C ATOM 0 H PHE A 585 -3.365 4.726 -3.148 1.00 0.00 H new ATOM 0 HA PHE A 585 -1.656 2.421 -2.458 1.00 0.00 H new ATOM 0 HB2 PHE A 585 -2.552 3.634 -5.084 1.00 0.00 H new ATOM 0 HB3 PHE A 585 -1.194 2.530 -4.989 1.00 0.00 H new ATOM 0 HD1 PHE A 585 -1.625 0.279 -3.793 1.00 0.00 H new ATOM 0 HD2 PHE A 585 -4.739 2.758 -5.292 1.00 0.00 H new ATOM 0 HE1 PHE A 585 -3.127 -1.648 -3.827 1.00 0.00 H new ATOM 0 HE2 PHE A 585 -6.258 0.822 -5.321 1.00 0.00 H new ATOM 0 HZ PHE A 585 -5.446 -1.388 -4.590 1.00 0.00 H new ATOM 1230 N SER A 586 -0.736 5.384 -2.613 1.00 0.00 N ATOM 1231 CA SER A 586 0.403 6.263 -2.410 1.00 0.00 C ATOM 1232 C SER A 586 1.350 5.691 -1.350 1.00 0.00 C ATOM 1233 O SER A 586 0.962 5.511 -0.190 1.00 0.00 O ATOM 1234 CB SER A 586 -0.088 7.642 -1.980 1.00 0.00 C ATOM 1235 OG SER A 586 -1.007 8.165 -2.921 1.00 0.00 O ATOM 0 H SER A 586 -1.638 5.804 -2.390 1.00 0.00 H new ATOM 0 HA SER A 586 0.952 6.347 -3.348 1.00 0.00 H new ATOM 0 HB2 SER A 586 -0.562 7.575 -1.001 1.00 0.00 H new ATOM 0 HB3 SER A 586 0.760 8.319 -1.878 1.00 0.00 H new ATOM 0 HG SER A 586 -1.311 9.049 -2.625 1.00 0.00 H new ATOM 1241 N PRO A 587 2.608 5.398 -1.731 1.00 0.00 N ATOM 1242 CA PRO A 587 3.614 4.857 -0.811 1.00 0.00 C ATOM 1243 C PRO A 587 4.178 5.924 0.122 1.00 0.00 C ATOM 1244 O PRO A 587 5.182 5.706 0.794 1.00 0.00 O ATOM 1245 CB PRO A 587 4.704 4.344 -1.746 1.00 0.00 C ATOM 1246 CG PRO A 587 4.617 5.243 -2.928 1.00 0.00 C ATOM 1247 CD PRO A 587 3.152 5.555 -3.097 1.00 0.00 C ATOM 0 HA PRO A 587 3.198 4.093 -0.155 1.00 0.00 H new ATOM 0 HB2 PRO A 587 5.687 4.394 -1.278 1.00 0.00 H new ATOM 0 HB3 PRO A 587 4.535 3.303 -2.023 1.00 0.00 H new ATOM 0 HG2 PRO A 587 5.195 6.153 -2.771 1.00 0.00 H new ATOM 0 HG3 PRO A 587 5.019 4.759 -3.818 1.00 0.00 H new ATOM 0 HD2 PRO A 587 2.998 6.565 -3.477 1.00 0.00 H new ATOM 0 HD3 PRO A 587 2.675 4.873 -3.800 1.00 0.00 H new ATOM 1255 N ARG A 588 3.523 7.077 0.163 1.00 0.00 N ATOM 1256 CA ARG A 588 3.888 8.149 1.072 1.00 0.00 C ATOM 1257 C ARG A 588 2.963 8.109 2.277 1.00 0.00 C ATOM 1258 O ARG A 588 3.041 8.941 3.178 1.00 0.00 O ATOM 1259 CB ARG A 588 3.787 9.502 0.363 1.00 0.00 C ATOM 1260 CG ARG A 588 4.705 9.625 -0.843 1.00 0.00 C ATOM 1261 CD ARG A 588 4.486 10.930 -1.586 1.00 0.00 C ATOM 1262 NE ARG A 588 3.132 11.034 -2.126 1.00 0.00 N ATOM 1263 CZ ARG A 588 2.843 11.508 -3.337 1.00 0.00 C ATOM 1264 NH1 ARG A 588 3.808 11.948 -4.136 1.00 0.00 N ATOM 1265 NH2 ARG A 588 1.582 11.553 -3.742 1.00 0.00 N ATOM 0 H ARG A 588 2.724 7.293 -0.434 1.00 0.00 H new ATOM 0 HA ARG A 588 4.918 8.016 1.402 1.00 0.00 H new ATOM 0 HB2 ARG A 588 2.757 9.660 0.043 1.00 0.00 H new ATOM 0 HB3 ARG A 588 4.025 10.294 1.073 1.00 0.00 H new ATOM 0 HG2 ARG A 588 5.743 9.562 -0.518 1.00 0.00 H new ATOM 0 HG3 ARG A 588 4.531 8.788 -1.519 1.00 0.00 H new ATOM 0 HD2 ARG A 588 4.672 11.766 -0.912 1.00 0.00 H new ATOM 0 HD3 ARG A 588 5.207 11.009 -2.399 1.00 0.00 H new ATOM 0 HE ARG A 588 2.359 10.724 -1.538 1.00 0.00 H new ATOM 0 HH11 ARG A 588 4.779 11.925 -3.824 1.00 0.00 H new ATOM 0 HH12 ARG A 588 3.578 12.309 -5.062 1.00 0.00 H new ATOM 0 HH21 ARG A 588 0.837 11.225 -3.127 1.00 0.00 H new ATOM 0 HH22 ARG A 588 1.357 11.915 -4.668 1.00 0.00 H new ATOM 1279 N MET A 589 2.071 7.129 2.258 1.00 0.00 N ATOM 1280 CA MET A 589 1.152 6.903 3.358 1.00 0.00 C ATOM 1281 C MET A 589 1.669 5.783 4.257 1.00 0.00 C ATOM 1282 O MET A 589 1.575 4.603 3.907 1.00 0.00 O ATOM 1283 CB MET A 589 -0.238 6.548 2.824 1.00 0.00 C ATOM 1284 CG MET A 589 -1.306 6.551 3.890 1.00 0.00 C ATOM 1285 SD MET A 589 -1.537 8.167 4.651 1.00 0.00 S ATOM 1286 CE MET A 589 -2.215 9.096 3.278 1.00 0.00 C ATOM 0 H MET A 589 1.966 6.473 1.484 1.00 0.00 H new ATOM 0 HA MET A 589 1.080 7.819 3.944 1.00 0.00 H new ATOM 0 HB2 MET A 589 -0.512 7.258 2.043 1.00 0.00 H new ATOM 0 HB3 MET A 589 -0.200 5.562 2.360 1.00 0.00 H new ATOM 0 HG2 MET A 589 -2.249 6.224 3.452 1.00 0.00 H new ATOM 0 HG3 MET A 589 -1.044 5.827 4.661 1.00 0.00 H new ATOM 0 HE1 MET A 589 -2.671 10.014 3.649 1.00 0.00 H new ATOM 0 HE2 MET A 589 -1.417 9.345 2.578 1.00 0.00 H new ATOM 0 HE3 MET A 589 -2.970 8.496 2.770 1.00 0.00 H new ATOM 1296 N PRO A 590 2.228 6.139 5.422 1.00 0.00 N ATOM 1297 CA PRO A 590 2.813 5.173 6.354 1.00 0.00 C ATOM 1298 C PRO A 590 1.762 4.473 7.207 1.00 0.00 C ATOM 1299 O PRO A 590 1.642 4.731 8.404 1.00 0.00 O ATOM 1300 CB PRO A 590 3.718 6.044 7.222 1.00 0.00 C ATOM 1301 CG PRO A 590 3.054 7.379 7.244 1.00 0.00 C ATOM 1302 CD PRO A 590 2.334 7.523 5.927 1.00 0.00 C ATOM 0 HA PRO A 590 3.333 4.365 5.839 1.00 0.00 H new ATOM 0 HB2 PRO A 590 3.816 5.634 8.227 1.00 0.00 H new ATOM 0 HB3 PRO A 590 4.723 6.109 6.805 1.00 0.00 H new ATOM 0 HG2 PRO A 590 2.355 7.451 8.078 1.00 0.00 H new ATOM 0 HG3 PRO A 590 3.788 8.175 7.374 1.00 0.00 H new ATOM 0 HD2 PRO A 590 1.351 7.976 6.057 1.00 0.00 H new ATOM 0 HD3 PRO A 590 2.889 8.158 5.236 1.00 0.00 H new ATOM 1310 N VAL A 591 0.987 3.597 6.589 1.00 0.00 N ATOM 1311 CA VAL A 591 -0.097 2.944 7.299 1.00 0.00 C ATOM 1312 C VAL A 591 0.181 1.482 7.631 1.00 0.00 C ATOM 1313 O VAL A 591 0.403 1.168 8.796 1.00 0.00 O ATOM 1314 CB VAL A 591 -1.425 3.098 6.547 1.00 0.00 C ATOM 1315 CG1 VAL A 591 -2.518 2.282 7.208 1.00 0.00 C ATOM 1316 CG2 VAL A 591 -1.801 4.562 6.524 1.00 0.00 C ATOM 0 H VAL A 591 1.087 3.325 5.611 1.00 0.00 H new ATOM 0 HA VAL A 591 -0.177 3.458 8.257 1.00 0.00 H new ATOM 0 HB VAL A 591 -1.309 2.729 5.528 1.00 0.00 H new ATOM 0 HG11 VAL A 591 -3.450 2.408 6.657 1.00 0.00 H new ATOM 0 HG12 VAL A 591 -2.236 1.229 7.209 1.00 0.00 H new ATOM 0 HG13 VAL A 591 -2.655 2.622 8.235 1.00 0.00 H new ATOM 0 HG21 VAL A 591 -2.744 4.687 5.992 1.00 0.00 H new ATOM 0 HG22 VAL A 591 -1.910 4.926 7.546 1.00 0.00 H new ATOM 0 HG23 VAL A 591 -1.021 5.130 6.018 1.00 0.00 H new ATOM 1326 N GLY A 592 0.180 0.576 6.652 1.00 0.00 N ATOM 1327 CA GLY A 592 0.270 -0.830 6.981 1.00 0.00 C ATOM 1328 C GLY A 592 1.694 -1.298 7.107 1.00 0.00 C ATOM 1329 O GLY A 592 2.412 -0.893 8.020 1.00 0.00 O ATOM 0 H GLY A 592 0.119 0.790 5.656 1.00 0.00 H new ATOM 0 HA2 GLY A 592 -0.255 -1.016 7.918 1.00 0.00 H new ATOM 0 HA3 GLY A 592 -0.235 -1.414 6.211 1.00 0.00 H new ATOM 1333 N ASP A 593 2.112 -2.138 6.183 1.00 0.00 N ATOM 1334 CA ASP A 593 3.439 -2.690 6.232 1.00 0.00 C ATOM 1335 C ASP A 593 4.285 -2.127 5.110 1.00 0.00 C ATOM 1336 O ASP A 593 3.812 -1.911 4.003 1.00 0.00 O ATOM 1337 CB ASP A 593 3.404 -4.218 6.156 1.00 0.00 C ATOM 1338 CG ASP A 593 2.667 -4.847 7.321 1.00 0.00 C ATOM 1339 OD1 ASP A 593 3.208 -4.848 8.449 1.00 0.00 O ATOM 1340 OD2 ASP A 593 1.541 -5.348 7.117 1.00 0.00 O ATOM 0 H ASP A 593 1.549 -2.450 5.392 1.00 0.00 H new ATOM 0 HA ASP A 593 3.886 -2.409 7.186 1.00 0.00 H new ATOM 0 HB2 ASP A 593 2.926 -4.520 5.224 1.00 0.00 H new ATOM 0 HB3 ASP A 593 4.425 -4.599 6.129 1.00 0.00 H new ATOM 1345 N PHE A 594 5.524 -1.876 5.436 1.00 0.00 N ATOM 1346 CA PHE A 594 6.493 -1.354 4.478 1.00 0.00 C ATOM 1347 C PHE A 594 7.663 -2.305 4.314 1.00 0.00 C ATOM 1348 O PHE A 594 8.203 -2.805 5.295 1.00 0.00 O ATOM 1349 CB PHE A 594 6.989 0.027 4.905 1.00 0.00 C ATOM 1350 CG PHE A 594 6.112 1.158 4.443 1.00 0.00 C ATOM 1351 CD1 PHE A 594 4.843 1.336 4.971 1.00 0.00 C ATOM 1352 CD2 PHE A 594 6.562 2.045 3.477 1.00 0.00 C ATOM 1353 CE1 PHE A 594 4.040 2.375 4.544 1.00 0.00 C ATOM 1354 CE2 PHE A 594 5.763 3.087 3.048 1.00 0.00 C ATOM 1355 CZ PHE A 594 4.501 3.252 3.581 1.00 0.00 C ATOM 0 H PHE A 594 5.902 -2.024 6.372 1.00 0.00 H new ATOM 0 HA PHE A 594 5.991 -1.260 3.515 1.00 0.00 H new ATOM 0 HB2 PHE A 594 7.061 0.056 5.992 1.00 0.00 H new ATOM 0 HB3 PHE A 594 7.996 0.178 4.515 1.00 0.00 H new ATOM 0 HD1 PHE A 594 4.478 0.654 5.725 1.00 0.00 H new ATOM 0 HD2 PHE A 594 7.548 1.920 3.055 1.00 0.00 H new ATOM 0 HE1 PHE A 594 3.052 2.502 4.962 1.00 0.00 H new ATOM 0 HE2 PHE A 594 6.126 3.772 2.296 1.00 0.00 H new ATOM 0 HZ PHE A 594 3.875 4.065 3.246 1.00 0.00 H new ATOM 1365 N PHE A 595 8.030 -2.581 3.070 1.00 0.00 N ATOM 1366 CA PHE A 595 9.156 -3.453 2.777 1.00 0.00 C ATOM 1367 C PHE A 595 10.075 -2.796 1.762 1.00 0.00 C ATOM 1368 O PHE A 595 9.633 -1.997 0.935 1.00 0.00 O ATOM 1369 CB PHE A 595 8.666 -4.791 2.211 1.00 0.00 C ATOM 1370 CG PHE A 595 7.498 -5.373 2.952 1.00 0.00 C ATOM 1371 CD1 PHE A 595 6.211 -4.957 2.659 1.00 0.00 C ATOM 1372 CD2 PHE A 595 7.683 -6.323 3.943 1.00 0.00 C ATOM 1373 CE1 PHE A 595 5.132 -5.473 3.337 1.00 0.00 C ATOM 1374 CE2 PHE A 595 6.601 -6.844 4.626 1.00 0.00 C ATOM 1375 CZ PHE A 595 5.324 -6.416 4.321 1.00 0.00 C ATOM 0 H PHE A 595 7.560 -2.210 2.244 1.00 0.00 H new ATOM 0 HA PHE A 595 9.699 -3.630 3.705 1.00 0.00 H new ATOM 0 HB2 PHE A 595 8.388 -4.653 1.166 1.00 0.00 H new ATOM 0 HB3 PHE A 595 9.489 -5.506 2.230 1.00 0.00 H new ATOM 0 HD1 PHE A 595 6.052 -4.218 1.888 1.00 0.00 H new ATOM 0 HD2 PHE A 595 8.681 -6.659 4.184 1.00 0.00 H new ATOM 0 HE1 PHE A 595 4.134 -5.138 3.097 1.00 0.00 H new ATOM 0 HE2 PHE A 595 6.754 -7.585 5.397 1.00 0.00 H new ATOM 0 HZ PHE A 595 4.477 -6.821 4.854 1.00 0.00 H new ATOM 1385 N GLU A 596 11.340 -3.152 1.819 1.00 0.00 N ATOM 1386 CA GLU A 596 12.302 -2.633 0.871 1.00 0.00 C ATOM 1387 C GLU A 596 13.140 -3.783 0.333 1.00 0.00 C ATOM 1388 O GLU A 596 13.599 -4.637 1.097 1.00 0.00 O ATOM 1389 CB GLU A 596 13.180 -1.562 1.537 1.00 0.00 C ATOM 1390 CG GLU A 596 14.390 -2.105 2.284 1.00 0.00 C ATOM 1391 CD GLU A 596 15.330 -1.016 2.759 1.00 0.00 C ATOM 1392 OE1 GLU A 596 15.212 0.128 2.282 1.00 0.00 O ATOM 1393 OE2 GLU A 596 16.195 -1.298 3.618 1.00 0.00 O ATOM 0 H GLU A 596 11.726 -3.796 2.509 1.00 0.00 H new ATOM 0 HA GLU A 596 11.783 -2.159 0.038 1.00 0.00 H new ATOM 0 HB2 GLU A 596 13.525 -0.867 0.771 1.00 0.00 H new ATOM 0 HB3 GLU A 596 12.567 -0.991 2.234 1.00 0.00 H new ATOM 0 HG2 GLU A 596 14.050 -2.684 3.143 1.00 0.00 H new ATOM 0 HG3 GLU A 596 14.935 -2.789 1.633 1.00 0.00 H new ATOM 1400 N GLU A 597 13.298 -3.860 -0.979 1.00 0.00 N ATOM 1401 CA GLU A 597 14.097 -4.905 -1.581 1.00 0.00 C ATOM 1402 C GLU A 597 15.564 -4.587 -1.359 1.00 0.00 C ATOM 1403 O GLU A 597 16.054 -3.534 -1.773 1.00 0.00 O ATOM 1404 CB GLU A 597 13.801 -5.017 -3.079 1.00 0.00 C ATOM 1405 CG GLU A 597 14.750 -5.946 -3.821 1.00 0.00 C ATOM 1406 CD GLU A 597 14.453 -6.026 -5.304 1.00 0.00 C ATOM 1407 OE1 GLU A 597 13.653 -6.894 -5.709 1.00 0.00 O ATOM 1408 OE2 GLU A 597 15.030 -5.228 -6.075 1.00 0.00 O ATOM 0 H GLU A 597 12.881 -3.209 -1.644 1.00 0.00 H new ATOM 0 HA GLU A 597 13.851 -5.861 -1.118 1.00 0.00 H new ATOM 0 HB2 GLU A 597 12.779 -5.373 -3.213 1.00 0.00 H new ATOM 0 HB3 GLU A 597 13.854 -4.024 -3.526 1.00 0.00 H new ATOM 0 HG2 GLU A 597 15.774 -5.601 -3.678 1.00 0.00 H new ATOM 0 HG3 GLU A 597 14.686 -6.944 -3.388 1.00 0.00 H new ATOM 1415 N ARG A 598 16.256 -5.498 -0.705 1.00 0.00 N ATOM 1416 CA ARG A 598 17.619 -5.271 -0.281 1.00 0.00 C ATOM 1417 C ARG A 598 18.475 -6.477 -0.617 1.00 0.00 C ATOM 1418 O ARG A 598 17.959 -7.586 -0.781 1.00 0.00 O ATOM 1419 CB ARG A 598 17.626 -5.002 1.228 1.00 0.00 C ATOM 1420 CG ARG A 598 18.987 -4.692 1.820 1.00 0.00 C ATOM 1421 CD ARG A 598 18.886 -4.446 3.316 1.00 0.00 C ATOM 1422 NE ARG A 598 20.124 -3.904 3.875 1.00 0.00 N ATOM 1423 CZ ARG A 598 20.183 -2.806 4.632 1.00 0.00 C ATOM 1424 NH1 ARG A 598 19.078 -2.128 4.923 1.00 0.00 N ATOM 1425 NH2 ARG A 598 21.350 -2.386 5.100 1.00 0.00 N ATOM 0 H ARG A 598 15.888 -6.415 -0.454 1.00 0.00 H new ATOM 0 HA ARG A 598 18.034 -4.409 -0.802 1.00 0.00 H new ATOM 0 HB2 ARG A 598 16.958 -4.166 1.435 1.00 0.00 H new ATOM 0 HB3 ARG A 598 17.215 -5.873 1.738 1.00 0.00 H new ATOM 0 HG2 ARG A 598 19.668 -5.521 1.629 1.00 0.00 H new ATOM 0 HG3 ARG A 598 19.409 -3.814 1.331 1.00 0.00 H new ATOM 0 HD2 ARG A 598 18.067 -3.754 3.514 1.00 0.00 H new ATOM 0 HD3 ARG A 598 18.641 -5.381 3.820 1.00 0.00 H new ATOM 0 HE ARG A 598 20.995 -4.395 3.674 1.00 0.00 H new ATOM 0 HH11 ARG A 598 18.176 -2.446 4.567 1.00 0.00 H new ATOM 0 HH12 ARG A 598 19.131 -1.290 5.502 1.00 0.00 H new ATOM 0 HH21 ARG A 598 22.202 -2.902 4.882 1.00 0.00 H new ATOM 0 HH22 ARG A 598 21.395 -1.547 5.678 1.00 0.00 H new ATOM 1439 N ASP A 599 19.775 -6.272 -0.711 1.00 0.00 N ATOM 1440 CA ASP A 599 20.702 -7.360 -0.948 1.00 0.00 C ATOM 1441 C ASP A 599 21.371 -7.787 0.340 1.00 0.00 C ATOM 1442 O ASP A 599 21.696 -6.967 1.198 1.00 0.00 O ATOM 1443 CB ASP A 599 21.754 -6.962 -1.988 1.00 0.00 C ATOM 1444 CG ASP A 599 22.635 -5.817 -1.534 1.00 0.00 C ATOM 1445 OD1 ASP A 599 22.153 -4.660 -1.515 1.00 0.00 O ATOM 1446 OD2 ASP A 599 23.813 -6.063 -1.201 1.00 0.00 O ATOM 0 H ASP A 599 20.214 -5.355 -0.626 1.00 0.00 H new ATOM 0 HA ASP A 599 20.135 -8.205 -1.338 1.00 0.00 H new ATOM 0 HB2 ASP A 599 22.379 -7.826 -2.213 1.00 0.00 H new ATOM 0 HB3 ASP A 599 21.253 -6.682 -2.914 1.00 0.00 H new ATOM 1451 N THR A 600 21.538 -9.083 0.473 1.00 0.00 N ATOM 1452 CA THR A 600 22.162 -9.675 1.636 1.00 0.00 C ATOM 1453 C THR A 600 23.165 -10.718 1.176 1.00 0.00 C ATOM 1454 O THR A 600 23.151 -11.117 0.008 1.00 0.00 O ATOM 1455 CB THR A 600 21.104 -10.343 2.538 1.00 0.00 C ATOM 1456 OG1 THR A 600 20.644 -11.545 1.920 1.00 0.00 O ATOM 1457 CG2 THR A 600 19.920 -9.420 2.757 1.00 0.00 C ATOM 0 H THR A 600 21.242 -9.762 -0.228 1.00 0.00 H new ATOM 0 HA THR A 600 22.663 -8.895 2.209 1.00 0.00 H new ATOM 0 HB THR A 600 21.564 -10.563 3.501 1.00 0.00 H new ATOM 0 HG1 THR A 600 20.052 -11.322 1.171 1.00 0.00 H new ATOM 0 HG21 THR A 600 19.187 -9.913 3.396 1.00 0.00 H new ATOM 0 HG22 THR A 600 20.259 -8.501 3.235 1.00 0.00 H new ATOM 0 HG23 THR A 600 19.462 -9.182 1.797 1.00 0.00 H new ATOM 1465 N PRO A 601 24.059 -11.160 2.064 1.00 0.00 N ATOM 1466 CA PRO A 601 25.021 -12.221 1.755 1.00 0.00 C ATOM 1467 C PRO A 601 24.343 -13.549 1.393 1.00 0.00 C ATOM 1468 O PRO A 601 24.991 -14.465 0.889 1.00 0.00 O ATOM 1469 CB PRO A 601 25.836 -12.351 3.045 1.00 0.00 C ATOM 1470 CG PRO A 601 24.986 -11.741 4.103 1.00 0.00 C ATOM 1471 CD PRO A 601 24.234 -10.641 3.427 1.00 0.00 C ATOM 0 HA PRO A 601 25.626 -11.979 0.881 1.00 0.00 H new ATOM 0 HB2 PRO A 601 26.056 -13.395 3.269 1.00 0.00 H new ATOM 0 HB3 PRO A 601 26.792 -11.835 2.961 1.00 0.00 H new ATOM 0 HG2 PRO A 601 24.305 -12.476 4.531 1.00 0.00 H new ATOM 0 HG3 PRO A 601 25.594 -11.355 4.921 1.00 0.00 H new ATOM 0 HD2 PRO A 601 23.278 -10.447 3.912 1.00 0.00 H new ATOM 0 HD3 PRO A 601 24.792 -9.705 3.435 1.00 0.00 H new ATOM 1479 N GLU A 602 23.040 -13.649 1.651 1.00 0.00 N ATOM 1480 CA GLU A 602 22.279 -14.823 1.234 1.00 0.00 C ATOM 1481 C GLU A 602 21.504 -14.529 -0.049 1.00 0.00 C ATOM 1482 O GLU A 602 20.986 -15.437 -0.699 1.00 0.00 O ATOM 1483 CB GLU A 602 21.324 -15.288 2.342 1.00 0.00 C ATOM 1484 CG GLU A 602 20.043 -14.482 2.445 1.00 0.00 C ATOM 1485 CD GLU A 602 19.103 -15.009 3.510 1.00 0.00 C ATOM 1486 OE1 GLU A 602 18.650 -16.168 3.395 1.00 0.00 O ATOM 1487 OE2 GLU A 602 18.803 -14.264 4.462 1.00 0.00 O ATOM 0 H GLU A 602 22.495 -12.940 2.141 1.00 0.00 H new ATOM 0 HA GLU A 602 22.986 -15.629 1.039 1.00 0.00 H new ATOM 0 HB2 GLU A 602 21.068 -16.333 2.169 1.00 0.00 H new ATOM 0 HB3 GLU A 602 21.846 -15.241 3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 602 20.289 -13.443 2.666 1.00 0.00 H new ATOM 0 HG3 GLU A 602 19.535 -14.491 1.481 1.00 0.00 H new ATOM 1494 N GLY A 603 21.414 -13.253 -0.397 1.00 0.00 N ATOM 1495 CA GLY A 603 20.750 -12.890 -1.624 1.00 0.00 C ATOM 1496 C GLY A 603 19.779 -11.750 -1.482 1.00 0.00 C ATOM 1497 O GLY A 603 19.725 -11.079 -0.452 1.00 0.00 O ATOM 0 H GLY A 603 21.786 -12.473 0.145 1.00 0.00 H new ATOM 0 HA2 GLY A 603 21.502 -12.622 -2.366 1.00 0.00 H new ATOM 0 HA3 GLY A 603 20.218 -13.760 -2.008 1.00 0.00 H new ATOM 1501 N LEU A 604 19.022 -11.531 -2.535 1.00 0.00 N ATOM 1502 CA LEU A 604 18.011 -10.494 -2.555 1.00 0.00 C ATOM 1503 C LEU A 604 16.763 -10.951 -1.828 1.00 0.00 C ATOM 1504 O LEU A 604 16.115 -11.926 -2.214 1.00 0.00 O ATOM 1505 CB LEU A 604 17.674 -10.097 -3.989 1.00 0.00 C ATOM 1506 CG LEU A 604 18.771 -9.316 -4.704 1.00 0.00 C ATOM 1507 CD1 LEU A 604 18.491 -9.243 -6.195 1.00 0.00 C ATOM 1508 CD2 LEU A 604 18.896 -7.919 -4.119 1.00 0.00 C ATOM 0 H LEU A 604 19.089 -12.066 -3.401 1.00 0.00 H new ATOM 0 HA LEU A 604 18.411 -9.620 -2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 604 17.457 -10.999 -4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 604 16.764 -9.497 -3.982 1.00 0.00 H new ATOM 0 HG LEU A 604 19.716 -9.839 -4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 604 19.285 -8.682 -6.687 1.00 0.00 H new ATOM 0 HD12 LEU A 604 18.450 -10.251 -6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 604 17.537 -8.744 -6.362 1.00 0.00 H new ATOM 0 HD21 LEU A 604 19.683 -7.375 -4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 604 17.950 -7.390 -4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 604 19.144 -7.989 -3.060 1.00 0.00 H new ATOM 1520 N GLN A 605 16.450 -10.243 -0.769 1.00 0.00 N ATOM 1521 CA GLN A 605 15.268 -10.539 0.016 1.00 0.00 C ATOM 1522 C GLN A 605 14.558 -9.237 0.326 1.00 0.00 C ATOM 1523 O GLN A 605 15.190 -8.177 0.352 1.00 0.00 O ATOM 1524 CB GLN A 605 15.618 -11.276 1.297 1.00 0.00 C ATOM 1525 CG GLN A 605 16.442 -10.460 2.264 1.00 0.00 C ATOM 1526 CD GLN A 605 16.967 -11.317 3.378 1.00 0.00 C ATOM 1527 OE1 GLN A 605 16.356 -11.436 4.441 1.00 0.00 O ATOM 1528 NE2 GLN A 605 18.086 -11.952 3.118 1.00 0.00 N ATOM 0 H GLN A 605 16.998 -9.454 -0.427 1.00 0.00 H new ATOM 0 HA GLN A 605 14.613 -11.195 -0.558 1.00 0.00 H new ATOM 0 HB2 GLN A 605 14.697 -11.585 1.790 1.00 0.00 H new ATOM 0 HB3 GLN A 605 16.165 -12.184 1.045 1.00 0.00 H new ATOM 0 HG2 GLN A 605 17.274 -9.994 1.736 1.00 0.00 H new ATOM 0 HG3 GLN A 605 15.834 -9.654 2.676 1.00 0.00 H new ATOM 0 HE21 GLN A 605 18.552 -11.818 2.221 1.00 0.00 H new ATOM 0 HE22 GLN A 605 18.489 -12.580 3.813 1.00 0.00 H new ATOM 1537 N TRP A 606 13.257 -9.293 0.529 1.00 0.00 N ATOM 1538 CA TRP A 606 12.499 -8.102 0.833 1.00 0.00 C ATOM 1539 C TRP A 606 12.536 -7.887 2.332 1.00 0.00 C ATOM 1540 O TRP A 606 11.956 -8.668 3.086 1.00 0.00 O ATOM 1541 CB TRP A 606 11.051 -8.246 0.361 1.00 0.00 C ATOM 1542 CG TRP A 606 10.866 -7.985 -1.098 1.00 0.00 C ATOM 1543 CD1 TRP A 606 10.953 -8.883 -2.122 1.00 0.00 C ATOM 1544 CD2 TRP A 606 10.557 -6.726 -1.691 1.00 0.00 C ATOM 1545 NE1 TRP A 606 10.714 -8.251 -3.320 1.00 0.00 N ATOM 1546 CE2 TRP A 606 10.469 -6.923 -3.079 1.00 0.00 C ATOM 1547 CE3 TRP A 606 10.345 -5.450 -1.175 1.00 0.00 C ATOM 1548 CZ2 TRP A 606 10.178 -5.882 -3.959 1.00 0.00 C ATOM 1549 CZ3 TRP A 606 10.059 -4.423 -2.044 1.00 0.00 C ATOM 1550 CH2 TRP A 606 9.977 -4.639 -3.421 1.00 0.00 C ATOM 0 H TRP A 606 12.706 -10.150 0.488 1.00 0.00 H new ATOM 0 HA TRP A 606 12.936 -7.248 0.316 1.00 0.00 H new ATOM 0 HB2 TRP A 606 10.703 -9.254 0.588 1.00 0.00 H new ATOM 0 HB3 TRP A 606 10.424 -7.557 0.927 1.00 0.00 H new ATOM 0 HD1 TRP A 606 11.176 -9.934 -2.009 1.00 0.00 H new ATOM 0 HE1 TRP A 606 10.718 -8.697 -4.237 1.00 0.00 H new ATOM 0 HE3 TRP A 606 10.404 -5.270 -0.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 606 10.114 -6.049 -5.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 606 9.895 -3.430 -1.653 1.00 0.00 H new ATOM 0 HH2 TRP A 606 9.751 -3.809 -4.075 1.00 0.00 H new ATOM 1561 N VAL A 607 13.231 -6.854 2.767 1.00 0.00 N ATOM 1562 CA VAL A 607 13.357 -6.584 4.183 1.00 0.00 C ATOM 1563 C VAL A 607 12.288 -5.605 4.628 1.00 0.00 C ATOM 1564 O VAL A 607 12.100 -4.549 4.026 1.00 0.00 O ATOM 1565 CB VAL A 607 14.751 -6.015 4.528 1.00 0.00 C ATOM 1566 CG1 VAL A 607 14.915 -5.863 6.033 1.00 0.00 C ATOM 1567 CG2 VAL A 607 15.850 -6.898 3.952 1.00 0.00 C ATOM 0 H VAL A 607 13.715 -6.191 2.162 1.00 0.00 H new ATOM 0 HA VAL A 607 13.231 -7.529 4.711 1.00 0.00 H new ATOM 0 HB VAL A 607 14.836 -5.027 4.076 1.00 0.00 H new ATOM 0 HG11 VAL A 607 15.904 -5.461 6.252 1.00 0.00 H new ATOM 0 HG12 VAL A 607 14.154 -5.183 6.415 1.00 0.00 H new ATOM 0 HG13 VAL A 607 14.805 -6.836 6.511 1.00 0.00 H new ATOM 0 HG21 VAL A 607 16.824 -6.479 4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 607 15.766 -7.902 4.369 1.00 0.00 H new ATOM 0 HG23 VAL A 607 15.748 -6.946 2.868 1.00 0.00 H new ATOM 1577 N GLN A 608 11.582 -5.983 5.674 1.00 0.00 N ATOM 1578 CA GLN A 608 10.492 -5.190 6.194 1.00 0.00 C ATOM 1579 C GLN A 608 11.041 -3.976 6.925 1.00 0.00 C ATOM 1580 O GLN A 608 12.001 -4.077 7.691 1.00 0.00 O ATOM 1581 CB GLN A 608 9.625 -6.015 7.137 1.00 0.00 C ATOM 1582 CG GLN A 608 8.333 -5.314 7.507 1.00 0.00 C ATOM 1583 CD GLN A 608 7.410 -6.184 8.320 1.00 0.00 C ATOM 1584 OE1 GLN A 608 7.849 -7.021 9.108 1.00 0.00 O ATOM 1585 NE2 GLN A 608 6.120 -6.000 8.128 1.00 0.00 N ATOM 0 H GLN A 608 11.749 -6.849 6.186 1.00 0.00 H new ATOM 0 HA GLN A 608 9.875 -4.861 5.358 1.00 0.00 H new ATOM 0 HB2 GLN A 608 9.393 -6.971 6.668 1.00 0.00 H new ATOM 0 HB3 GLN A 608 10.188 -6.233 8.044 1.00 0.00 H new ATOM 0 HG2 GLN A 608 8.564 -4.410 8.071 1.00 0.00 H new ATOM 0 HG3 GLN A 608 7.822 -5.000 6.597 1.00 0.00 H new ATOM 0 HE21 GLN A 608 5.799 -5.295 7.465 1.00 0.00 H new ATOM 0 HE22 GLN A 608 5.442 -6.563 8.642 1.00 0.00 H new ATOM 1594 N LEU A 609 10.436 -2.831 6.678 1.00 0.00 N ATOM 1595 CA LEU A 609 10.856 -1.588 7.286 1.00 0.00 C ATOM 1596 C LEU A 609 10.002 -1.340 8.517 1.00 0.00 C ATOM 1597 O LEU A 609 8.811 -1.660 8.514 1.00 0.00 O ATOM 1598 CB LEU A 609 10.651 -0.440 6.295 1.00 0.00 C ATOM 1599 CG LEU A 609 11.389 -0.584 4.966 1.00 0.00 C ATOM 1600 CD1 LEU A 609 10.855 0.413 3.948 1.00 0.00 C ATOM 1601 CD2 LEU A 609 12.879 -0.385 5.173 1.00 0.00 C ATOM 0 H LEU A 609 9.638 -2.738 6.049 1.00 0.00 H new ATOM 0 HA LEU A 609 11.909 -1.646 7.561 1.00 0.00 H new ATOM 0 HB2 LEU A 609 9.585 -0.345 6.091 1.00 0.00 H new ATOM 0 HB3 LEU A 609 10.969 0.488 6.769 1.00 0.00 H new ATOM 0 HG LEU A 609 11.220 -1.589 4.580 1.00 0.00 H new ATOM 0 HD11 LEU A 609 11.393 0.296 3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 609 9.793 0.232 3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 609 10.996 1.427 4.323 1.00 0.00 H new ATOM 0 HD21 LEU A 609 13.396 -0.490 4.219 1.00 0.00 H new ATOM 0 HD22 LEU A 609 13.060 0.611 5.577 1.00 0.00 H new ATOM 0 HD23 LEU A 609 13.252 -1.133 5.872 1.00 0.00 H new ATOM 1613 N SER A 610 10.581 -0.792 9.569 1.00 0.00 N ATOM 1614 CA SER A 610 9.824 -0.372 10.729 1.00 0.00 C ATOM 1615 C SER A 610 9.368 1.060 10.525 1.00 0.00 C ATOM 1616 O SER A 610 9.817 1.720 9.585 1.00 0.00 O ATOM 1617 CB SER A 610 10.676 -0.507 11.990 1.00 0.00 C ATOM 1618 OG SER A 610 11.105 -1.848 12.164 1.00 0.00 O ATOM 0 H SER A 610 11.585 -0.627 9.642 1.00 0.00 H new ATOM 0 HA SER A 610 8.947 -1.008 10.853 1.00 0.00 H new ATOM 0 HB2 SER A 610 11.542 0.151 11.922 1.00 0.00 H new ATOM 0 HB3 SER A 610 10.101 -0.188 12.859 1.00 0.00 H new ATOM 0 HG SER A 610 11.651 -1.914 12.975 1.00 0.00 H new ATOM 1624 N ALA A 611 8.485 1.538 11.390 1.00 0.00 N ATOM 1625 CA ALA A 611 7.907 2.866 11.243 1.00 0.00 C ATOM 1626 C ALA A 611 8.980 3.937 11.110 1.00 0.00 C ATOM 1627 O ALA A 611 8.789 4.924 10.408 1.00 0.00 O ATOM 1628 CB ALA A 611 6.990 3.179 12.415 1.00 0.00 C ATOM 0 H ALA A 611 8.152 1.023 12.205 1.00 0.00 H new ATOM 0 HA ALA A 611 7.322 2.869 10.323 1.00 0.00 H new ATOM 0 HB1 ALA A 611 6.566 4.175 12.289 1.00 0.00 H new ATOM 0 HB2 ALA A 611 6.185 2.445 12.454 1.00 0.00 H new ATOM 0 HB3 ALA A 611 7.560 3.142 13.343 1.00 0.00 H new ATOM 1634 N GLU A 612 10.103 3.743 11.790 1.00 0.00 N ATOM 1635 CA GLU A 612 11.184 4.728 11.764 1.00 0.00 C ATOM 1636 C GLU A 612 11.802 4.791 10.366 1.00 0.00 C ATOM 1637 O GLU A 612 12.192 5.855 9.890 1.00 0.00 O ATOM 1638 CB GLU A 612 12.289 4.376 12.768 1.00 0.00 C ATOM 1639 CG GLU A 612 11.803 4.048 14.170 1.00 0.00 C ATOM 1640 CD GLU A 612 11.251 2.643 14.273 1.00 0.00 C ATOM 1641 OE1 GLU A 612 11.985 1.690 13.949 1.00 0.00 O ATOM 1642 OE2 GLU A 612 10.072 2.488 14.650 1.00 0.00 O ATOM 0 H GLU A 612 10.291 2.920 12.363 1.00 0.00 H new ATOM 0 HA GLU A 612 10.753 5.692 12.034 1.00 0.00 H new ATOM 0 HB2 GLU A 612 12.849 3.523 12.385 1.00 0.00 H new ATOM 0 HB3 GLU A 612 12.985 5.213 12.828 1.00 0.00 H new ATOM 0 HG2 GLU A 612 12.627 4.165 14.874 1.00 0.00 H new ATOM 0 HG3 GLU A 612 11.032 4.761 14.461 1.00 0.00 H new ATOM 1649 N GLU A 613 11.875 3.634 9.715 1.00 0.00 N ATOM 1650 CA GLU A 613 12.529 3.511 8.417 1.00 0.00 C ATOM 1651 C GLU A 613 11.601 3.950 7.292 1.00 0.00 C ATOM 1652 O GLU A 613 12.055 4.435 6.252 1.00 0.00 O ATOM 1653 CB GLU A 613 12.953 2.062 8.173 1.00 0.00 C ATOM 1654 CG GLU A 613 13.794 1.465 9.287 1.00 0.00 C ATOM 1655 CD GLU A 613 14.997 2.314 9.627 1.00 0.00 C ATOM 1656 OE1 GLU A 613 15.801 2.609 8.720 1.00 0.00 O ATOM 1657 OE2 GLU A 613 15.139 2.695 10.804 1.00 0.00 O ATOM 0 H GLU A 613 11.485 2.761 10.070 1.00 0.00 H new ATOM 0 HA GLU A 613 13.407 4.157 8.426 1.00 0.00 H new ATOM 0 HB2 GLU A 613 12.060 1.451 8.040 1.00 0.00 H new ATOM 0 HB3 GLU A 613 13.516 2.012 7.241 1.00 0.00 H new ATOM 0 HG2 GLU A 613 13.177 1.343 10.177 1.00 0.00 H new ATOM 0 HG3 GLU A 613 14.128 0.470 8.992 1.00 0.00 H new ATOM 1664 N ILE A 614 10.306 3.753 7.516 1.00 0.00 N ATOM 1665 CA ILE A 614 9.276 4.034 6.517 1.00 0.00 C ATOM 1666 C ILE A 614 9.454 5.398 5.827 1.00 0.00 C ATOM 1667 O ILE A 614 9.639 5.446 4.610 1.00 0.00 O ATOM 1668 CB ILE A 614 7.868 3.956 7.158 1.00 0.00 C ATOM 1669 CG1 ILE A 614 7.506 2.504 7.483 1.00 0.00 C ATOM 1670 CG2 ILE A 614 6.825 4.593 6.257 1.00 0.00 C ATOM 1671 CD1 ILE A 614 6.121 2.333 8.076 1.00 0.00 C ATOM 0 H ILE A 614 9.938 3.393 8.397 1.00 0.00 H new ATOM 0 HA ILE A 614 9.381 3.270 5.747 1.00 0.00 H new ATOM 0 HB ILE A 614 7.885 4.518 8.092 1.00 0.00 H new ATOM 0 HG12 ILE A 614 7.576 1.910 6.572 1.00 0.00 H new ATOM 0 HG13 ILE A 614 8.241 2.104 8.181 1.00 0.00 H new ATOM 0 HG21 ILE A 614 5.845 4.525 6.730 1.00 0.00 H new ATOM 0 HG22 ILE A 614 7.077 5.641 6.093 1.00 0.00 H new ATOM 0 HG23 ILE A 614 6.803 4.071 5.300 1.00 0.00 H new ATOM 0 HD11 ILE A 614 5.940 1.277 8.278 1.00 0.00 H new ATOM 0 HD12 ILE A 614 6.051 2.898 9.005 1.00 0.00 H new ATOM 0 HD13 ILE A 614 5.375 2.700 7.371 1.00 0.00 H new ATOM 1683 N PRO A 615 9.451 6.518 6.580 1.00 0.00 N ATOM 1684 CA PRO A 615 9.516 7.860 5.991 1.00 0.00 C ATOM 1685 C PRO A 615 10.827 8.118 5.264 1.00 0.00 C ATOM 1686 O PRO A 615 10.866 8.883 4.304 1.00 0.00 O ATOM 1687 CB PRO A 615 9.380 8.794 7.194 1.00 0.00 C ATOM 1688 CG PRO A 615 9.815 7.974 8.352 1.00 0.00 C ATOM 1689 CD PRO A 615 9.374 6.580 8.048 1.00 0.00 C ATOM 0 HA PRO A 615 8.742 8.003 5.237 1.00 0.00 H new ATOM 0 HB2 PRO A 615 10.003 9.681 7.080 1.00 0.00 H new ATOM 0 HB3 PRO A 615 8.353 9.138 7.315 1.00 0.00 H new ATOM 0 HG2 PRO A 615 10.896 8.023 8.482 1.00 0.00 H new ATOM 0 HG3 PRO A 615 9.366 8.334 9.278 1.00 0.00 H new ATOM 0 HD2 PRO A 615 10.023 5.841 8.517 1.00 0.00 H new ATOM 0 HD3 PRO A 615 8.363 6.390 8.407 1.00 0.00 H new ATOM 1697 N SER A 616 11.891 7.456 5.699 1.00 0.00 N ATOM 1698 CA SER A 616 13.204 7.650 5.102 1.00 0.00 C ATOM 1699 C SER A 616 13.231 7.078 3.687 1.00 0.00 C ATOM 1700 O SER A 616 13.845 7.645 2.785 1.00 0.00 O ATOM 1701 CB SER A 616 14.271 6.993 5.974 1.00 0.00 C ATOM 1702 OG SER A 616 14.150 7.424 7.320 1.00 0.00 O ATOM 0 H SER A 616 11.870 6.780 6.463 1.00 0.00 H new ATOM 0 HA SER A 616 13.415 8.718 5.040 1.00 0.00 H new ATOM 0 HB2 SER A 616 14.173 5.909 5.923 1.00 0.00 H new ATOM 0 HB3 SER A 616 15.262 7.241 5.595 1.00 0.00 H new ATOM 0 HG SER A 616 14.840 6.992 7.865 1.00 0.00 H new ATOM 1708 N ARG A 617 12.538 5.962 3.498 1.00 0.00 N ATOM 1709 CA ARG A 617 12.368 5.375 2.177 1.00 0.00 C ATOM 1710 C ARG A 617 11.396 6.209 1.352 1.00 0.00 C ATOM 1711 O ARG A 617 11.593 6.405 0.151 1.00 0.00 O ATOM 1712 CB ARG A 617 11.887 3.926 2.277 1.00 0.00 C ATOM 1713 CG ARG A 617 13.006 2.908 2.466 1.00 0.00 C ATOM 1714 CD ARG A 617 13.801 3.155 3.739 1.00 0.00 C ATOM 1715 NE ARG A 617 14.777 2.095 3.989 1.00 0.00 N ATOM 1716 CZ ARG A 617 15.469 1.968 5.118 1.00 0.00 C ATOM 1717 NH1 ARG A 617 15.363 2.886 6.070 1.00 0.00 N ATOM 1718 NH2 ARG A 617 16.272 0.924 5.290 1.00 0.00 N ATOM 0 H ARG A 617 12.082 5.443 4.249 1.00 0.00 H new ATOM 0 HA ARG A 617 13.337 5.371 1.677 1.00 0.00 H new ATOM 0 HB2 ARG A 617 11.191 3.843 3.111 1.00 0.00 H new ATOM 0 HB3 ARG A 617 11.332 3.676 1.373 1.00 0.00 H new ATOM 0 HG2 ARG A 617 12.581 1.905 2.495 1.00 0.00 H new ATOM 0 HG3 ARG A 617 13.677 2.945 1.608 1.00 0.00 H new ATOM 0 HD2 ARG A 617 14.317 4.112 3.665 1.00 0.00 H new ATOM 0 HD3 ARG A 617 13.118 3.226 4.585 1.00 0.00 H new ATOM 0 HE ARG A 617 14.937 1.410 3.251 1.00 0.00 H new ATOM 0 HH11 ARG A 617 14.750 3.690 5.937 1.00 0.00 H new ATOM 0 HH12 ARG A 617 15.894 2.787 6.935 1.00 0.00 H new ATOM 0 HH21 ARG A 617 16.358 0.220 4.557 1.00 0.00 H new ATOM 0 HH22 ARG A 617 16.803 0.826 6.155 1.00 0.00 H new ATOM 1732 N ILE A 618 10.350 6.703 2.012 1.00 0.00 N ATOM 1733 CA ILE A 618 9.369 7.569 1.369 1.00 0.00 C ATOM 1734 C ILE A 618 10.045 8.797 0.770 1.00 0.00 C ATOM 1735 O ILE A 618 9.684 9.245 -0.310 1.00 0.00 O ATOM 1736 CB ILE A 618 8.273 8.030 2.356 1.00 0.00 C ATOM 1737 CG1 ILE A 618 7.477 6.831 2.876 1.00 0.00 C ATOM 1738 CG2 ILE A 618 7.347 9.040 1.691 1.00 0.00 C ATOM 1739 CD1 ILE A 618 6.367 7.208 3.836 1.00 0.00 C ATOM 0 H ILE A 618 10.161 6.516 2.997 1.00 0.00 H new ATOM 0 HA ILE A 618 8.901 6.982 0.579 1.00 0.00 H new ATOM 0 HB ILE A 618 8.757 8.513 3.205 1.00 0.00 H new ATOM 0 HG12 ILE A 618 7.047 6.296 2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 618 8.159 6.142 3.375 1.00 0.00 H new ATOM 0 HG21 ILE A 618 6.581 9.354 2.400 1.00 0.00 H new ATOM 0 HG22 ILE A 618 7.924 9.908 1.372 1.00 0.00 H new ATOM 0 HG23 ILE A 618 6.872 8.582 0.823 1.00 0.00 H new ATOM 0 HD11 ILE A 618 5.847 6.307 4.162 1.00 0.00 H new ATOM 0 HD12 ILE A 618 6.792 7.716 4.702 1.00 0.00 H new ATOM 0 HD13 ILE A 618 5.663 7.872 3.335 1.00 0.00 H new ATOM 1751 N GLN A 619 11.034 9.324 1.475 1.00 0.00 N ATOM 1752 CA GLN A 619 11.774 10.494 1.016 1.00 0.00 C ATOM 1753 C GLN A 619 12.419 10.256 -0.346 1.00 0.00 C ATOM 1754 O GLN A 619 12.498 11.167 -1.167 1.00 0.00 O ATOM 1755 CB GLN A 619 12.830 10.881 2.045 1.00 0.00 C ATOM 1756 CG GLN A 619 12.230 11.380 3.346 1.00 0.00 C ATOM 1757 CD GLN A 619 11.663 12.778 3.230 1.00 0.00 C ATOM 1758 OE1 GLN A 619 12.365 13.763 3.450 1.00 0.00 O ATOM 1759 NE2 GLN A 619 10.387 12.876 2.899 1.00 0.00 N ATOM 0 H GLN A 619 11.346 8.958 2.374 1.00 0.00 H new ATOM 0 HA GLN A 619 11.065 11.315 0.903 1.00 0.00 H new ATOM 0 HB2 GLN A 619 13.464 10.018 2.250 1.00 0.00 H new ATOM 0 HB3 GLN A 619 13.472 11.656 1.626 1.00 0.00 H new ATOM 0 HG2 GLN A 619 11.441 10.698 3.663 1.00 0.00 H new ATOM 0 HG3 GLN A 619 12.995 11.366 4.123 1.00 0.00 H new ATOM 0 HE21 GLN A 619 9.839 12.033 2.725 1.00 0.00 H new ATOM 0 HE22 GLN A 619 9.950 13.794 2.818 1.00 0.00 H new ATOM 1768 N ALA A 620 12.886 9.040 -0.589 1.00 0.00 N ATOM 1769 CA ALA A 620 13.491 8.708 -1.871 1.00 0.00 C ATOM 1770 C ALA A 620 12.429 8.548 -2.956 1.00 0.00 C ATOM 1771 O ALA A 620 12.569 9.069 -4.061 1.00 0.00 O ATOM 1772 CB ALA A 620 14.309 7.432 -1.742 1.00 0.00 C ATOM 0 H ALA A 620 12.858 8.271 0.080 1.00 0.00 H new ATOM 0 HA ALA A 620 14.148 9.528 -2.163 1.00 0.00 H new ATOM 0 HB1 ALA A 620 14.759 7.189 -2.705 1.00 0.00 H new ATOM 0 HB2 ALA A 620 15.095 7.577 -1.001 1.00 0.00 H new ATOM 0 HB3 ALA A 620 13.660 6.614 -1.428 1.00 0.00 H new ATOM 1778 N ILE A 621 11.361 7.839 -2.626 1.00 0.00 N ATOM 1779 CA ILE A 621 10.312 7.541 -3.598 1.00 0.00 C ATOM 1780 C ILE A 621 9.299 8.677 -3.720 1.00 0.00 C ATOM 1781 O ILE A 621 8.365 8.602 -4.521 1.00 0.00 O ATOM 1782 CB ILE A 621 9.559 6.246 -3.238 1.00 0.00 C ATOM 1783 CG1 ILE A 621 8.913 6.367 -1.858 1.00 0.00 C ATOM 1784 CG2 ILE A 621 10.501 5.055 -3.282 1.00 0.00 C ATOM 1785 CD1 ILE A 621 8.080 5.168 -1.477 1.00 0.00 C ATOM 0 H ILE A 621 11.195 7.458 -1.695 1.00 0.00 H new ATOM 0 HA ILE A 621 10.819 7.416 -4.555 1.00 0.00 H new ATOM 0 HB ILE A 621 8.770 6.090 -3.974 1.00 0.00 H new ATOM 0 HG12 ILE A 621 9.694 6.509 -1.111 1.00 0.00 H new ATOM 0 HG13 ILE A 621 8.285 7.258 -1.836 1.00 0.00 H new ATOM 0 HG21 ILE A 621 9.953 4.148 -3.025 1.00 0.00 H new ATOM 0 HG22 ILE A 621 10.916 4.956 -4.285 1.00 0.00 H new ATOM 0 HG23 ILE A 621 11.310 5.205 -2.567 1.00 0.00 H new ATOM 0 HD11 ILE A 621 7.652 5.322 -0.486 1.00 0.00 H new ATOM 0 HD12 ILE A 621 7.277 5.037 -2.203 1.00 0.00 H new ATOM 0 HD13 ILE A 621 8.708 4.277 -1.466 1.00 0.00 H new