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= -1.37! USER MOD Set 1.2: A 605 GLN : amide:sc= -4.13! C(o=-5.5!,f=-5.4!) USER MOD Set 2.1: A 556 CYS SG : rot 33:sc= 1.19 USER MOD Set 2.2: A 569 TYR OH : rot -140:sc= 1.06 USER MOD Set 3.1: A 561 LYS NZ :NH3+ 155:sc= 1.19 (180deg=0) USER MOD Set 3.2: A 562 GLN : amide:sc= -0.0534 K(o=1.1,f=-5.2) USER MOD Single : A 521 THR OG1 : rot 180:sc= -0.29 USER MOD Single : A 530 GLN : amide:sc= -2.05! K(o=-2!,f=-0.082) USER MOD Single : A 531 HIS : no HE2:sc= -1.23 X(o=-1.2,f=-1.4) USER MOD Single : A 540 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 LYS NZ :NH3+ -166:sc= -0.0254 (180deg=-0.215) 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=-0.0054) USER MOD Single : A 547 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 550 THR OG1 : rot 107:sc= 0.824 USER MOD Single : A 552 TYR OH : rot 173:sc= -0.152 USER MOD Single : A 553 TYR OH : rot 42:sc= 1.97 USER MOD Single : A 558 LYS NZ :NH3+ 157:sc= -0.117 (180deg=-0.482) USER MOD Single : A 560 MET CE :methyl 146:sc= -0.465 (180deg=-1.62!) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 571 SER OG : rot 180:sc= 0 USER MOD Single : A 573 ASN : amide:sc= 0.325 X(o=0.32,f=0) USER MOD Single : A 576 HIS : no HD1:sc= 0.00872 X(o=0.0087,f=-0.35) USER MOD Single : A 577 SER OG : rot 180:sc= 0.0141 USER MOD Single : A 582 HIS : no HD1:sc= -0.22 K(o=-0.22,f=-9.2!) USER MOD Single : A 584 SER OG : rot 180:sc= 0 USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 589 MET CE :methyl 171:sc= -0.326 (180deg=-0.52) USER MOD Single : A 608 GLN : amide:sc= 0 X(o=0,f=-0.23) 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= -0.378 X(o=-0.38,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 94 N ALA A 520 7.114 -11.082 1.672 1.00 0.00 N ATOM 95 CA ALA A 520 7.264 -10.084 2.699 1.00 0.00 C ATOM 96 C ALA A 520 6.337 -10.376 3.859 1.00 0.00 C ATOM 97 O ALA A 520 5.220 -10.856 3.676 1.00 0.00 O ATOM 98 CB ALA A 520 6.999 -8.700 2.139 1.00 0.00 C ATOM 0 HA ALA A 520 8.291 -10.115 3.063 1.00 0.00 H new ATOM 0 HB1 ALA A 520 7.117 -7.959 2.930 1.00 0.00 H new ATOM 0 HB2 ALA A 520 7.706 -8.491 1.337 1.00 0.00 H new ATOM 0 HB3 ALA A 520 5.983 -8.654 1.748 1.00 0.00 H new ATOM 104 N THR A 521 6.818 -10.097 5.044 1.00 0.00 N ATOM 105 CA THR A 521 6.020 -10.210 6.241 1.00 0.00 C ATOM 106 C THR A 521 5.514 -8.839 6.640 1.00 0.00 C ATOM 107 O THR A 521 6.136 -7.835 6.301 1.00 0.00 O ATOM 108 CB THR A 521 6.849 -10.816 7.383 1.00 0.00 C ATOM 109 OG1 THR A 521 8.239 -10.579 7.138 1.00 0.00 O ATOM 110 CG2 THR A 521 6.597 -12.309 7.515 1.00 0.00 C ATOM 0 H THR A 521 7.775 -9.785 5.207 1.00 0.00 H new ATOM 0 HA THR A 521 5.173 -10.867 6.043 1.00 0.00 H new ATOM 0 HB THR A 521 6.549 -10.340 8.317 1.00 0.00 H new ATOM 0 HG1 THR A 521 8.770 -10.963 7.867 1.00 0.00 H new ATOM 0 HG21 THR A 521 7.198 -12.709 8.332 1.00 0.00 H new ATOM 0 HG22 THR A 521 5.541 -12.483 7.723 1.00 0.00 H new ATOM 0 HG23 THR A 521 6.871 -12.808 6.585 1.00 0.00 H new ATOM 118 N PRO A 522 4.376 -8.764 7.342 1.00 0.00 N ATOM 119 CA PRO A 522 3.828 -7.490 7.793 1.00 0.00 C ATOM 120 C PRO A 522 4.874 -6.665 8.535 1.00 0.00 C ATOM 121 O PRO A 522 4.988 -5.461 8.328 1.00 0.00 O ATOM 122 CB PRO A 522 2.679 -7.888 8.736 1.00 0.00 C ATOM 123 CG PRO A 522 2.816 -9.362 8.947 1.00 0.00 C ATOM 124 CD PRO A 522 3.529 -9.895 7.738 1.00 0.00 C ATOM 0 HA PRO A 522 3.497 -6.868 6.962 1.00 0.00 H new ATOM 0 HB2 PRO A 522 2.745 -7.350 9.682 1.00 0.00 H new ATOM 0 HB3 PRO A 522 1.711 -7.644 8.298 1.00 0.00 H new ATOM 0 HG2 PRO A 522 3.379 -9.574 9.856 1.00 0.00 H new ATOM 0 HG3 PRO A 522 1.839 -9.831 9.061 1.00 0.00 H new ATOM 0 HD2 PRO A 522 4.119 -10.781 7.973 1.00 0.00 H new ATOM 0 HD3 PRO A 522 2.833 -10.176 6.948 1.00 0.00 H new ATOM 132 N GLU A 523 5.624 -7.338 9.402 1.00 0.00 N ATOM 133 CA GLU A 523 6.697 -6.695 10.158 1.00 0.00 C ATOM 134 C GLU A 523 7.694 -6.012 9.202 1.00 0.00 C ATOM 135 O GLU A 523 8.132 -4.892 9.451 1.00 0.00 O ATOM 136 CB GLU A 523 7.419 -7.706 11.057 1.00 0.00 C ATOM 137 CG GLU A 523 8.114 -8.826 10.302 1.00 0.00 C ATOM 138 CD GLU A 523 8.794 -9.815 11.221 1.00 0.00 C ATOM 139 OE1 GLU A 523 9.905 -9.516 11.706 1.00 0.00 O ATOM 140 OE2 GLU A 523 8.227 -10.905 11.451 1.00 0.00 O ATOM 0 H GLU A 523 5.509 -8.332 9.600 1.00 0.00 H new ATOM 0 HA GLU A 523 6.252 -5.933 10.798 1.00 0.00 H new ATOM 0 HB2 GLU A 523 8.157 -7.177 11.660 1.00 0.00 H new ATOM 0 HB3 GLU A 523 6.697 -8.142 11.747 1.00 0.00 H new ATOM 0 HG2 GLU A 523 7.384 -9.351 9.686 1.00 0.00 H new ATOM 0 HG3 GLU A 523 8.853 -8.398 9.625 1.00 0.00 H new ATOM 147 N GLU A 524 8.038 -6.691 8.106 1.00 0.00 N ATOM 148 CA GLU A 524 8.936 -6.136 7.097 1.00 0.00 C ATOM 149 C GLU A 524 8.272 -4.994 6.334 1.00 0.00 C ATOM 150 O GLU A 524 8.923 -4.031 5.958 1.00 0.00 O ATOM 151 CB GLU A 524 9.356 -7.212 6.101 1.00 0.00 C ATOM 152 CG GLU A 524 10.168 -8.335 6.709 1.00 0.00 C ATOM 153 CD GLU A 524 11.578 -7.934 7.077 1.00 0.00 C ATOM 154 OE1 GLU A 524 11.762 -7.251 8.102 1.00 0.00 O ATOM 155 OE2 GLU A 524 12.515 -8.326 6.346 1.00 0.00 O ATOM 0 H GLU A 524 7.705 -7.632 7.896 1.00 0.00 H new ATOM 0 HA GLU A 524 9.813 -5.755 7.620 1.00 0.00 H new ATOM 0 HB2 GLU A 524 8.463 -7.633 5.639 1.00 0.00 H new ATOM 0 HB3 GLU A 524 9.938 -6.748 5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 524 9.658 -8.698 7.601 1.00 0.00 H new ATOM 0 HG3 GLU A 524 10.208 -9.166 6.004 1.00 0.00 H new ATOM 162 N VAL A 525 6.974 -5.118 6.096 1.00 0.00 N ATOM 163 CA VAL A 525 6.235 -4.111 5.339 1.00 0.00 C ATOM 164 C VAL A 525 5.992 -2.854 6.180 1.00 0.00 C ATOM 165 O VAL A 525 5.918 -1.742 5.653 1.00 0.00 O ATOM 166 CB VAL A 525 4.889 -4.670 4.829 1.00 0.00 C ATOM 167 CG1 VAL A 525 4.120 -3.619 4.043 1.00 0.00 C ATOM 168 CG2 VAL A 525 5.112 -5.909 3.975 1.00 0.00 C ATOM 0 H VAL A 525 6.409 -5.905 6.415 1.00 0.00 H new ATOM 0 HA VAL A 525 6.847 -3.841 4.478 1.00 0.00 H new ATOM 0 HB VAL A 525 4.293 -4.947 5.698 1.00 0.00 H new ATOM 0 HG11 VAL A 525 3.177 -4.042 3.697 1.00 0.00 H new ATOM 0 HG12 VAL A 525 3.919 -2.760 4.684 1.00 0.00 H new ATOM 0 HG13 VAL A 525 4.712 -3.301 3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 525 4.152 -6.288 3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 525 5.735 -5.653 3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 525 5.610 -6.676 4.569 1.00 0.00 H new ATOM 178 N ARG A 526 5.851 -3.035 7.488 1.00 0.00 N ATOM 179 CA ARG A 526 5.742 -1.902 8.404 1.00 0.00 C ATOM 180 C ARG A 526 7.118 -1.339 8.737 1.00 0.00 C ATOM 181 O ARG A 526 7.223 -0.238 9.268 1.00 0.00 O ATOM 182 CB ARG A 526 5.016 -2.283 9.699 1.00 0.00 C ATOM 183 CG ARG A 526 5.705 -3.377 10.487 1.00 0.00 C ATOM 184 CD ARG A 526 4.992 -3.671 11.795 1.00 0.00 C ATOM 185 NE ARG A 526 5.128 -2.580 12.756 1.00 0.00 N ATOM 186 CZ ARG A 526 5.342 -2.762 14.058 1.00 0.00 C ATOM 187 NH1 ARG A 526 5.399 -3.989 14.564 1.00 0.00 N ATOM 188 NH2 ARG A 526 5.487 -1.714 14.857 1.00 0.00 N ATOM 0 H ARG A 526 5.809 -3.950 7.938 1.00 0.00 H new ATOM 0 HA ARG A 526 5.154 -1.138 7.895 1.00 0.00 H new ATOM 0 HB2 ARG A 526 4.925 -1.397 10.328 1.00 0.00 H new ATOM 0 HB3 ARG A 526 4.004 -2.606 9.456 1.00 0.00 H new ATOM 0 HG2 ARG A 526 5.748 -4.285 9.885 1.00 0.00 H new ATOM 0 HG3 ARG A 526 6.734 -3.082 10.693 1.00 0.00 H new ATOM 0 HD2 ARG A 526 3.935 -3.850 11.598 1.00 0.00 H new ATOM 0 HD3 ARG A 526 5.395 -4.587 12.228 1.00 0.00 H new ATOM 0 HE ARG A 526 5.055 -1.623 12.410 1.00 0.00 H new ATOM 0 HH11 ARG A 526 5.279 -4.798 13.955 1.00 0.00 H new ATOM 0 HH12 ARG A 526 5.563 -4.122 15.562 1.00 0.00 H new ATOM 0 HH21 ARG A 526 5.435 -0.770 14.474 1.00 0.00 H new ATOM 0 HH22 ARG A 526 5.651 -1.852 15.854 1.00 0.00 H new ATOM 202 N LEU A 527 8.168 -2.106 8.448 1.00 0.00 N ATOM 203 CA LEU A 527 9.544 -1.663 8.661 1.00 0.00 C ATOM 204 C LEU A 527 9.776 -0.265 8.055 1.00 0.00 C ATOM 205 O LEU A 527 10.277 0.625 8.742 1.00 0.00 O ATOM 206 CB LEU A 527 10.518 -2.700 8.057 1.00 0.00 C ATOM 207 CG LEU A 527 11.681 -3.158 8.942 1.00 0.00 C ATOM 208 CD1 LEU A 527 12.647 -2.019 9.194 1.00 0.00 C ATOM 209 CD2 LEU A 527 11.172 -3.739 10.253 1.00 0.00 C ATOM 0 H LEU A 527 8.089 -3.047 8.062 1.00 0.00 H new ATOM 0 HA LEU A 527 9.730 -1.586 9.732 1.00 0.00 H new ATOM 0 HB2 LEU A 527 9.942 -3.580 7.772 1.00 0.00 H new ATOM 0 HB3 LEU A 527 10.934 -2.281 7.141 1.00 0.00 H new ATOM 0 HG LEU A 527 12.218 -3.945 8.412 1.00 0.00 H new ATOM 0 HD11 LEU A 527 13.465 -2.368 9.825 1.00 0.00 H new ATOM 0 HD12 LEU A 527 13.047 -1.665 8.244 1.00 0.00 H new ATOM 0 HD13 LEU A 527 12.125 -1.203 9.695 1.00 0.00 H new ATOM 0 HD21 LEU A 527 12.018 -4.057 10.863 1.00 0.00 H new ATOM 0 HD22 LEU A 527 10.602 -2.981 10.790 1.00 0.00 H new ATOM 0 HD23 LEU A 527 10.531 -4.596 10.047 1.00 0.00 H new ATOM 221 N PRO A 528 9.402 -0.036 6.772 1.00 0.00 N ATOM 222 CA PRO A 528 9.494 1.291 6.147 1.00 0.00 C ATOM 223 C PRO A 528 8.708 2.347 6.916 1.00 0.00 C ATOM 224 O PRO A 528 9.149 3.492 7.043 1.00 0.00 O ATOM 225 CB PRO A 528 8.882 1.087 4.757 1.00 0.00 C ATOM 226 CG PRO A 528 9.000 -0.371 4.494 1.00 0.00 C ATOM 227 CD PRO A 528 8.891 -1.043 5.824 1.00 0.00 C ATOM 0 HA PRO A 528 10.522 1.652 6.123 1.00 0.00 H new ATOM 0 HB2 PRO A 528 7.841 1.409 4.733 1.00 0.00 H new ATOM 0 HB3 PRO A 528 9.413 1.668 4.003 1.00 0.00 H new ATOM 0 HG2 PRO A 528 8.213 -0.710 3.820 1.00 0.00 H new ATOM 0 HG3 PRO A 528 9.951 -0.605 4.016 1.00 0.00 H new ATOM 0 HD2 PRO A 528 7.861 -1.318 6.050 1.00 0.00 H new ATOM 0 HD3 PRO A 528 9.480 -1.959 5.858 1.00 0.00 H new ATOM 235 N LEU A 529 7.561 1.943 7.458 1.00 0.00 N ATOM 236 CA LEU A 529 6.690 2.852 8.197 1.00 0.00 C ATOM 237 C LEU A 529 7.399 3.371 9.442 1.00 0.00 C ATOM 238 O LEU A 529 7.118 4.468 9.921 1.00 0.00 O ATOM 239 CB LEU A 529 5.387 2.148 8.607 1.00 0.00 C ATOM 240 CG LEU A 529 4.592 1.501 7.468 1.00 0.00 C ATOM 241 CD1 LEU A 529 3.314 0.864 7.997 1.00 0.00 C ATOM 242 CD2 LEU A 529 4.264 2.523 6.397 1.00 0.00 C ATOM 0 H LEU A 529 7.212 0.986 7.398 1.00 0.00 H new ATOM 0 HA LEU A 529 6.448 3.690 7.543 1.00 0.00 H new ATOM 0 HB2 LEU A 529 5.627 1.378 9.340 1.00 0.00 H new ATOM 0 HB3 LEU A 529 4.745 2.874 9.106 1.00 0.00 H new ATOM 0 HG LEU A 529 5.210 0.720 7.025 1.00 0.00 H new ATOM 0 HD11 LEU A 529 2.765 0.411 7.172 1.00 0.00 H new ATOM 0 HD12 LEU A 529 3.566 0.097 8.730 1.00 0.00 H new ATOM 0 HD13 LEU A 529 2.695 1.627 8.469 1.00 0.00 H new ATOM 0 HD21 LEU A 529 3.699 2.044 5.597 1.00 0.00 H new ATOM 0 HD22 LEU A 529 3.668 3.326 6.831 1.00 0.00 H new ATOM 0 HD23 LEU A 529 5.188 2.935 5.992 1.00 0.00 H new ATOM 254 N GLN A 530 8.334 2.578 9.951 1.00 0.00 N ATOM 255 CA GLN A 530 9.053 2.929 11.165 1.00 0.00 C ATOM 256 C GLN A 530 10.198 3.892 10.860 1.00 0.00 C ATOM 257 O GLN A 530 10.685 4.589 11.750 1.00 0.00 O ATOM 258 CB GLN A 530 9.606 1.675 11.849 1.00 0.00 C ATOM 259 CG GLN A 530 8.609 0.528 11.926 1.00 0.00 C ATOM 260 CD GLN A 530 8.976 -0.501 12.976 1.00 0.00 C ATOM 261 OE1 GLN A 530 8.566 -0.397 14.131 1.00 0.00 O ATOM 262 NE2 GLN A 530 9.744 -1.501 12.581 1.00 0.00 N ATOM 0 H GLN A 530 8.611 1.687 9.540 1.00 0.00 H new ATOM 0 HA GLN A 530 8.349 3.420 11.837 1.00 0.00 H new ATOM 0 HB2 GLN A 530 10.492 1.339 11.310 1.00 0.00 H new ATOM 0 HB3 GLN A 530 9.926 1.934 12.858 1.00 0.00 H new ATOM 0 HG2 GLN A 530 7.619 0.928 12.146 1.00 0.00 H new ATOM 0 HG3 GLN A 530 8.547 0.041 10.953 1.00 0.00 H new ATOM 0 HE21 GLN A 530 10.062 -1.548 11.613 1.00 0.00 H new ATOM 0 HE22 GLN A 530 10.019 -2.226 13.244 1.00 0.00 H new ATOM 271 N HIS A 531 10.619 3.938 9.603 1.00 0.00 N ATOM 272 CA HIS A 531 11.758 4.767 9.217 1.00 0.00 C ATOM 273 C HIS A 531 11.316 6.092 8.604 1.00 0.00 C ATOM 274 O HIS A 531 12.080 7.057 8.586 1.00 0.00 O ATOM 275 CB HIS A 531 12.675 4.014 8.252 1.00 0.00 C ATOM 276 CG HIS A 531 13.415 2.886 8.901 1.00 0.00 C ATOM 277 ND1 HIS A 531 14.495 3.116 9.716 1.00 0.00 N ATOM 278 CD2 HIS A 531 13.184 1.554 8.839 1.00 0.00 C ATOM 279 CE1 HIS A 531 14.895 1.928 10.132 1.00 0.00 C ATOM 280 NE2 HIS A 531 14.132 0.951 9.627 1.00 0.00 N ATOM 0 H HIS A 531 10.194 3.416 8.837 1.00 0.00 H new ATOM 0 HA HIS A 531 12.314 4.993 10.127 1.00 0.00 H new ATOM 0 HB2 HIS A 531 12.080 3.623 7.427 1.00 0.00 H new ATOM 0 HB3 HIS A 531 13.394 4.713 7.824 1.00 0.00 H new ATOM 0 HD1 HIS A 531 14.905 4.020 9.952 1.00 0.00 H new ATOM 0 HD2 HIS A 531 12.404 1.061 8.278 1.00 0.00 H new ATOM 0 HE1 HIS A 531 15.732 1.765 10.795 1.00 0.00 H new ATOM 288 N GLY A 532 10.094 6.142 8.097 1.00 0.00 N ATOM 289 CA GLY A 532 9.583 7.386 7.554 1.00 0.00 C ATOM 290 C GLY A 532 8.640 7.174 6.392 1.00 0.00 C ATOM 291 O GLY A 532 7.812 8.035 6.095 1.00 0.00 O ATOM 0 H GLY A 532 9.451 5.352 8.051 1.00 0.00 H new ATOM 0 HA2 GLY A 532 9.065 7.935 8.341 1.00 0.00 H new ATOM 0 HA3 GLY A 532 10.419 8.006 7.229 1.00 0.00 H new ATOM 295 N TRP A 533 8.773 6.036 5.724 1.00 0.00 N ATOM 296 CA TRP A 533 7.892 5.697 4.614 1.00 0.00 C ATOM 297 C TRP A 533 6.462 5.526 5.100 1.00 0.00 C ATOM 298 O TRP A 533 6.221 5.314 6.288 1.00 0.00 O ATOM 299 CB TRP A 533 8.344 4.401 3.946 1.00 0.00 C ATOM 300 CG TRP A 533 9.689 4.486 3.303 1.00 0.00 C ATOM 301 CD1 TRP A 533 10.900 4.533 3.929 1.00 0.00 C ATOM 302 CD2 TRP A 533 9.956 4.507 1.902 1.00 0.00 C ATOM 303 NE1 TRP A 533 11.904 4.604 2.999 1.00 0.00 N ATOM 304 CE2 TRP A 533 11.351 4.582 1.745 1.00 0.00 C ATOM 305 CE3 TRP A 533 9.147 4.473 0.763 1.00 0.00 C ATOM 306 CZ2 TRP A 533 11.956 4.622 0.493 1.00 0.00 C ATOM 307 CZ3 TRP A 533 9.748 4.510 -0.478 1.00 0.00 C ATOM 308 CH2 TRP A 533 11.140 4.582 -0.605 1.00 0.00 C ATOM 0 H TRP A 533 9.482 5.332 5.931 1.00 0.00 H new ATOM 0 HA TRP A 533 7.937 6.513 3.893 1.00 0.00 H new ATOM 0 HB2 TRP A 533 8.359 3.606 4.692 1.00 0.00 H new ATOM 0 HB3 TRP A 533 7.610 4.118 3.192 1.00 0.00 H new ATOM 0 HD1 TRP A 533 11.046 4.517 4.999 1.00 0.00 H new ATOM 0 HE1 TRP A 533 12.901 4.664 3.206 1.00 0.00 H new ATOM 0 HE3 TRP A 533 8.072 4.419 0.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 13.030 4.682 0.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 9.134 4.483 -1.366 1.00 0.00 H new ATOM 0 HH2 TRP A 533 11.580 4.607 -1.591 1.00 0.00 H new ATOM 319 N ARG A 534 5.516 5.611 4.182 1.00 0.00 N ATOM 320 CA ARG A 534 4.122 5.371 4.497 1.00 0.00 C ATOM 321 C ARG A 534 3.567 4.367 3.505 1.00 0.00 C ATOM 322 O ARG A 534 4.132 4.192 2.421 1.00 0.00 O ATOM 323 CB ARG A 534 3.311 6.669 4.420 1.00 0.00 C ATOM 324 CG ARG A 534 3.752 7.738 5.405 1.00 0.00 C ATOM 325 CD ARG A 534 3.579 7.288 6.847 1.00 0.00 C ATOM 326 NE ARG A 534 3.963 8.340 7.786 1.00 0.00 N ATOM 327 CZ ARG A 534 4.190 8.140 9.083 1.00 0.00 C ATOM 328 NH1 ARG A 534 4.038 6.929 9.610 1.00 0.00 N ATOM 329 NH2 ARG A 534 4.553 9.157 9.856 1.00 0.00 N ATOM 0 H ARG A 534 5.692 5.846 3.205 1.00 0.00 H new ATOM 0 HA ARG A 534 4.048 4.984 5.513 1.00 0.00 H new ATOM 0 HB2 ARG A 534 3.384 7.070 3.409 1.00 0.00 H new ATOM 0 HB3 ARG A 534 2.260 6.439 4.597 1.00 0.00 H new ATOM 0 HG2 ARG A 534 4.798 7.987 5.226 1.00 0.00 H new ATOM 0 HG3 ARG A 534 3.174 8.647 5.237 1.00 0.00 H new ATOM 0 HD2 ARG A 534 2.540 7.007 7.019 1.00 0.00 H new ATOM 0 HD3 ARG A 534 4.184 6.399 7.027 1.00 0.00 H new ATOM 0 HE ARG A 534 4.064 9.289 7.425 1.00 0.00 H new ATOM 0 HH11 ARG A 534 3.747 6.149 9.021 1.00 0.00 H new ATOM 0 HH12 ARG A 534 4.213 6.780 10.604 1.00 0.00 H new ATOM 0 HH21 ARG A 534 4.658 10.090 9.456 1.00 0.00 H new ATOM 0 HH22 ARG A 534 4.727 9.006 10.850 1.00 0.00 H new ATOM 343 N ARG A 535 2.473 3.714 3.855 1.00 0.00 N ATOM 344 CA ARG A 535 1.852 2.799 2.924 1.00 0.00 C ATOM 345 C ARG A 535 0.346 2.817 3.089 1.00 0.00 C ATOM 346 O ARG A 535 -0.185 2.464 4.144 1.00 0.00 O ATOM 347 CB ARG A 535 2.384 1.391 3.168 1.00 0.00 C ATOM 348 CG ARG A 535 2.003 0.394 2.094 1.00 0.00 C ATOM 349 CD ARG A 535 1.363 -0.835 2.696 1.00 0.00 C ATOM 350 NE ARG A 535 1.470 -2.001 1.819 1.00 0.00 N ATOM 351 CZ ARG A 535 0.598 -3.007 1.805 1.00 0.00 C ATOM 352 NH1 ARG A 535 -0.442 -2.993 2.627 1.00 0.00 N ATOM 353 NH2 ARG A 535 0.764 -4.013 0.958 1.00 0.00 N ATOM 0 H ARG A 535 2.007 3.799 4.758 1.00 0.00 H new ATOM 0 HA ARG A 535 2.092 3.109 1.907 1.00 0.00 H new ATOM 0 HB2 ARG A 535 3.471 1.432 3.242 1.00 0.00 H new ATOM 0 HB3 ARG A 535 2.012 1.035 4.129 1.00 0.00 H new ATOM 0 HG2 ARG A 535 1.313 0.859 1.390 1.00 0.00 H new ATOM 0 HG3 ARG A 535 2.890 0.107 1.529 1.00 0.00 H new ATOM 0 HD2 ARG A 535 1.836 -1.057 3.652 1.00 0.00 H new ATOM 0 HD3 ARG A 535 0.312 -0.632 2.900 1.00 0.00 H new ATOM 0 HE ARG A 535 2.262 -2.046 1.178 1.00 0.00 H new ATOM 0 HH11 ARG A 535 -0.574 -2.212 3.270 1.00 0.00 H new ATOM 0 HH12 ARG A 535 -1.110 -3.763 2.617 1.00 0.00 H new ATOM 0 HH21 ARG A 535 1.559 -4.015 0.319 1.00 0.00 H new ATOM 0 HH22 ARG A 535 0.097 -4.785 0.946 1.00 0.00 H new ATOM 367 N GLU A 536 -0.334 3.199 2.031 1.00 0.00 N ATOM 368 CA GLU A 536 -1.776 3.311 2.046 1.00 0.00 C ATOM 369 C GLU A 536 -2.367 2.307 1.076 1.00 0.00 C ATOM 370 O GLU A 536 -1.808 2.078 0.010 1.00 0.00 O ATOM 371 CB GLU A 536 -2.198 4.720 1.641 1.00 0.00 C ATOM 372 CG GLU A 536 -1.798 5.790 2.640 1.00 0.00 C ATOM 373 CD GLU A 536 -2.237 7.175 2.213 1.00 0.00 C ATOM 374 OE1 GLU A 536 -2.561 7.362 1.022 1.00 0.00 O ATOM 375 OE2 GLU A 536 -2.261 8.086 3.066 1.00 0.00 O ATOM 0 H GLU A 536 0.095 3.440 1.138 1.00 0.00 H new ATOM 0 HA GLU A 536 -2.140 3.109 3.053 1.00 0.00 H new ATOM 0 HB2 GLU A 536 -1.757 4.957 0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 536 -3.280 4.742 1.513 1.00 0.00 H new ATOM 0 HG2 GLU A 536 -2.235 5.557 3.611 1.00 0.00 H new ATOM 0 HG3 GLU A 536 -0.715 5.778 2.766 1.00 0.00 H new ATOM 382 N VAL A 537 -3.473 1.695 1.438 1.00 0.00 N ATOM 383 CA VAL A 537 -4.132 0.764 0.544 1.00 0.00 C ATOM 384 C VAL A 537 -5.504 1.292 0.179 1.00 0.00 C ATOM 385 O VAL A 537 -6.359 1.495 1.040 1.00 0.00 O ATOM 386 CB VAL A 537 -4.264 -0.642 1.166 1.00 0.00 C ATOM 387 CG1 VAL A 537 -4.917 -1.610 0.190 1.00 0.00 C ATOM 388 CG2 VAL A 537 -2.903 -1.162 1.594 1.00 0.00 C ATOM 0 H VAL A 537 -3.934 1.823 2.339 1.00 0.00 H new ATOM 0 HA VAL A 537 -3.516 0.672 -0.350 1.00 0.00 H new ATOM 0 HB VAL A 537 -4.902 -0.564 2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 537 -4.998 -2.594 0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 537 -5.912 -1.248 -0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 537 -4.309 -1.682 -0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 537 -3.014 -2.155 2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 537 -2.246 -1.218 0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 537 -2.471 -0.487 2.333 1.00 0.00 H new ATOM 398 N ARG A 538 -5.696 1.522 -1.099 1.00 0.00 N ATOM 399 CA ARG A 538 -6.934 2.084 -1.594 1.00 0.00 C ATOM 400 C ARG A 538 -7.785 0.976 -2.192 1.00 0.00 C ATOM 401 O ARG A 538 -7.373 0.320 -3.149 1.00 0.00 O ATOM 402 CB ARG A 538 -6.635 3.158 -2.644 1.00 0.00 C ATOM 403 CG ARG A 538 -5.659 4.222 -2.163 1.00 0.00 C ATOM 404 CD ARG A 538 -5.262 5.163 -3.288 1.00 0.00 C ATOM 405 NE ARG A 538 -4.311 6.184 -2.846 1.00 0.00 N ATOM 406 CZ ARG A 538 -3.994 7.266 -3.559 1.00 0.00 C ATOM 407 NH1 ARG A 538 -4.566 7.480 -4.737 1.00 0.00 N ATOM 408 NH2 ARG A 538 -3.101 8.133 -3.096 1.00 0.00 N ATOM 0 H ARG A 538 -5.004 1.327 -1.822 1.00 0.00 H new ATOM 0 HA ARG A 538 -7.481 2.548 -0.773 1.00 0.00 H new ATOM 0 HB2 ARG A 538 -6.229 2.680 -3.536 1.00 0.00 H new ATOM 0 HB3 ARG A 538 -7.569 3.638 -2.937 1.00 0.00 H new ATOM 0 HG2 ARG A 538 -6.112 4.793 -1.352 1.00 0.00 H new ATOM 0 HG3 ARG A 538 -4.768 3.743 -1.756 1.00 0.00 H new ATOM 0 HD2 ARG A 538 -4.822 4.587 -4.102 1.00 0.00 H new ATOM 0 HD3 ARG A 538 -6.154 5.648 -3.686 1.00 0.00 H new ATOM 0 HE ARG A 538 -3.863 6.061 -1.938 1.00 0.00 H new ATOM 0 HH11 ARG A 538 -5.250 6.816 -5.100 1.00 0.00 H new ATOM 0 HH12 ARG A 538 -4.321 8.308 -5.280 1.00 0.00 H new ATOM 0 HH21 ARG A 538 -2.655 7.973 -2.193 1.00 0.00 H new ATOM 0 HH22 ARG A 538 -2.861 8.959 -3.644 1.00 0.00 H new ATOM 422 N ILE A 539 -8.958 0.748 -1.621 1.00 0.00 N ATOM 423 CA ILE A 539 -9.828 -0.303 -2.110 1.00 0.00 C ATOM 424 C ILE A 539 -11.089 0.284 -2.731 1.00 0.00 C ATOM 425 O ILE A 539 -11.843 1.018 -2.090 1.00 0.00 O ATOM 426 CB ILE A 539 -10.217 -1.260 -0.977 1.00 0.00 C ATOM 427 CG1 ILE A 539 -8.955 -1.758 -0.268 1.00 0.00 C ATOM 428 CG2 ILE A 539 -11.027 -2.425 -1.525 1.00 0.00 C ATOM 429 CD1 ILE A 539 -9.224 -2.705 0.876 1.00 0.00 C ATOM 0 H ILE A 539 -9.324 1.272 -0.826 1.00 0.00 H new ATOM 0 HA ILE A 539 -9.280 -0.857 -2.872 1.00 0.00 H new ATOM 0 HB ILE A 539 -10.837 -0.729 -0.254 1.00 0.00 H new ATOM 0 HG12 ILE A 539 -8.315 -2.257 -0.996 1.00 0.00 H new ATOM 0 HG13 ILE A 539 -8.400 -0.899 0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 539 -11.296 -3.096 -0.710 1.00 0.00 H new ATOM 0 HG22 ILE A 539 -11.933 -2.047 -1.998 1.00 0.00 H new ATOM 0 HG23 ILE A 539 -10.433 -2.967 -2.260 1.00 0.00 H new ATOM 0 HD11 ILE A 539 -8.279 -3.011 1.325 1.00 0.00 H new ATOM 0 HD12 ILE A 539 -9.837 -2.205 1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 539 -9.751 -3.584 0.505 1.00 0.00 H new ATOM 441 N LYS A 540 -11.303 -0.062 -3.981 1.00 0.00 N ATOM 442 CA LYS A 540 -12.435 0.446 -4.734 1.00 0.00 C ATOM 443 C LYS A 540 -13.225 -0.674 -5.387 1.00 0.00 C ATOM 444 O LYS A 540 -12.667 -1.700 -5.785 1.00 0.00 O ATOM 445 CB LYS A 540 -11.948 1.437 -5.793 1.00 0.00 C ATOM 446 CG LYS A 540 -10.827 0.888 -6.665 1.00 0.00 C ATOM 447 CD LYS A 540 -10.282 1.942 -7.616 1.00 0.00 C ATOM 448 CE LYS A 540 -11.352 2.440 -8.571 1.00 0.00 C ATOM 449 NZ LYS A 540 -10.812 3.417 -9.551 1.00 0.00 N ATOM 0 H LYS A 540 -10.703 -0.699 -4.504 1.00 0.00 H new ATOM 0 HA LYS A 540 -13.102 0.954 -4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 540 -12.787 1.720 -6.428 1.00 0.00 H new ATOM 0 HB3 LYS A 540 -11.602 2.345 -5.299 1.00 0.00 H new ATOM 0 HG2 LYS A 540 -10.021 0.519 -6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 540 -11.196 0.037 -7.238 1.00 0.00 H new ATOM 0 HD2 LYS A 540 -9.886 2.780 -7.043 1.00 0.00 H new ATOM 0 HD3 LYS A 540 -9.451 1.525 -8.185 1.00 0.00 H new ATOM 0 HE2 LYS A 540 -11.785 1.593 -9.104 1.00 0.00 H new ATOM 0 HE3 LYS A 540 -12.158 2.904 -8.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 540 -11.575 3.732 -10.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 540 -10.422 4.237 -9.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 540 -10.061 2.967 -10.112 1.00 0.00 H new ATOM 463 N LYS A 541 -14.530 -0.476 -5.478 1.00 0.00 N ATOM 464 CA LYS A 541 -15.357 -1.419 -6.203 1.00 0.00 C ATOM 465 C LYS A 541 -15.105 -1.226 -7.689 1.00 0.00 C ATOM 466 O LYS A 541 -15.272 -0.125 -8.219 1.00 0.00 O ATOM 467 CB LYS A 541 -16.840 -1.211 -5.882 1.00 0.00 C ATOM 468 CG LYS A 541 -17.773 -2.100 -6.691 1.00 0.00 C ATOM 469 CD LYS A 541 -17.600 -3.568 -6.344 1.00 0.00 C ATOM 470 CE LYS A 541 -18.568 -4.448 -7.120 1.00 0.00 C ATOM 471 NZ LYS A 541 -19.985 -4.158 -6.776 1.00 0.00 N ATOM 0 H LYS A 541 -15.029 0.313 -5.067 1.00 0.00 H new ATOM 0 HA LYS A 541 -15.099 -2.435 -5.905 1.00 0.00 H new ATOM 0 HB2 LYS A 541 -17.003 -1.400 -4.821 1.00 0.00 H new ATOM 0 HB3 LYS A 541 -17.099 -0.168 -6.064 1.00 0.00 H new ATOM 0 HG2 LYS A 541 -18.806 -1.803 -6.508 1.00 0.00 H new ATOM 0 HG3 LYS A 541 -17.582 -1.954 -7.754 1.00 0.00 H new ATOM 0 HD2 LYS A 541 -16.577 -3.875 -6.560 1.00 0.00 H new ATOM 0 HD3 LYS A 541 -17.756 -3.710 -5.275 1.00 0.00 H new ATOM 0 HE2 LYS A 541 -18.417 -4.298 -8.189 1.00 0.00 H new ATOM 0 HE3 LYS A 541 -18.352 -5.496 -6.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 -20.593 -4.921 -7.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 -20.085 -4.093 -5.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 -20.270 -3.256 -7.209 1.00 0.00 H new ATOM 485 N GLY A 542 -14.688 -2.285 -8.348 1.00 0.00 N ATOM 486 CA GLY A 542 -14.301 -2.184 -9.734 1.00 0.00 C ATOM 487 C GLY A 542 -15.452 -2.455 -10.670 1.00 0.00 C ATOM 488 O GLY A 542 -16.519 -2.904 -10.241 1.00 0.00 O ATOM 0 H GLY A 542 -14.609 -3.220 -7.948 1.00 0.00 H new ATOM 0 HA2 GLY A 542 -13.906 -1.187 -9.927 1.00 0.00 H new ATOM 0 HA3 GLY A 542 -13.496 -2.891 -9.937 1.00 0.00 H new ATOM 492 N SER A 543 -15.245 -2.168 -11.945 1.00 0.00 N ATOM 493 CA SER A 543 -16.250 -2.419 -12.962 1.00 0.00 C ATOM 494 C SER A 543 -16.484 -3.918 -13.123 1.00 0.00 C ATOM 495 O SER A 543 -17.567 -4.354 -13.518 1.00 0.00 O ATOM 496 CB SER A 543 -15.799 -1.809 -14.289 1.00 0.00 C ATOM 497 OG SER A 543 -15.485 -0.433 -14.132 1.00 0.00 O ATOM 0 H SER A 543 -14.382 -1.758 -12.301 1.00 0.00 H new ATOM 0 HA SER A 543 -17.188 -1.957 -12.655 1.00 0.00 H new ATOM 0 HB2 SER A 543 -14.927 -2.345 -14.663 1.00 0.00 H new ATOM 0 HB3 SER A 543 -16.587 -1.924 -15.033 1.00 0.00 H new ATOM 0 HG SER A 543 -15.197 -0.063 -14.993 1.00 0.00 H new ATOM 503 N HIS A 544 -15.467 -4.701 -12.797 1.00 0.00 N ATOM 504 CA HIS A 544 -15.544 -6.145 -12.934 1.00 0.00 C ATOM 505 C HIS A 544 -15.675 -6.808 -11.568 1.00 0.00 C ATOM 506 O HIS A 544 -16.663 -7.488 -11.289 1.00 0.00 O ATOM 507 CB HIS A 544 -14.302 -6.677 -13.654 1.00 0.00 C ATOM 508 CG HIS A 544 -14.077 -6.070 -15.005 1.00 0.00 C ATOM 509 ND1 HIS A 544 -12.841 -5.602 -15.385 1.00 0.00 N ATOM 510 CD2 HIS A 544 -14.951 -5.890 -16.024 1.00 0.00 C ATOM 511 CE1 HIS A 544 -12.991 -5.152 -16.621 1.00 0.00 C ATOM 512 NE2 HIS A 544 -14.252 -5.306 -17.047 1.00 0.00 N ATOM 0 H HIS A 544 -14.577 -4.358 -12.435 1.00 0.00 H new ATOM 0 HA HIS A 544 -16.428 -6.385 -13.525 1.00 0.00 H new ATOM 0 HB2 HIS A 544 -13.426 -6.491 -13.032 1.00 0.00 H new ATOM 0 HB3 HIS A 544 -14.392 -7.758 -13.763 1.00 0.00 H new ATOM 0 HD2 HIS A 544 -15.998 -6.156 -16.029 1.00 0.00 H new ATOM 0 HE1 HIS A 544 -12.198 -4.716 -17.211 1.00 0.00 H new ATOM 0 HE2 HIS A 544 -14.621 -5.039 -17.960 1.00 0.00 H new ATOM 520 N ARG A 545 -14.687 -6.586 -10.709 1.00 0.00 N ATOM 521 CA ARG A 545 -14.658 -7.220 -9.395 1.00 0.00 C ATOM 522 C ARG A 545 -14.149 -6.252 -8.335 1.00 0.00 C ATOM 523 O ARG A 545 -13.999 -5.058 -8.587 1.00 0.00 O ATOM 524 CB ARG A 545 -13.764 -8.468 -9.418 1.00 0.00 C ATOM 525 CG ARG A 545 -14.259 -9.572 -10.338 1.00 0.00 C ATOM 526 CD ARG A 545 -13.413 -10.826 -10.202 1.00 0.00 C ATOM 527 NE ARG A 545 -12.000 -10.568 -10.469 1.00 0.00 N ATOM 528 CZ ARG A 545 -11.013 -11.400 -10.143 1.00 0.00 C ATOM 529 NH1 ARG A 545 -11.272 -12.542 -9.515 1.00 0.00 N ATOM 530 NH2 ARG A 545 -9.762 -11.082 -10.440 1.00 0.00 N ATOM 0 H ARG A 545 -13.895 -5.972 -10.898 1.00 0.00 H new ATOM 0 HA ARG A 545 -15.678 -7.513 -9.145 1.00 0.00 H new ATOM 0 HB2 ARG A 545 -12.760 -8.176 -9.726 1.00 0.00 H new ATOM 0 HB3 ARG A 545 -13.684 -8.863 -8.405 1.00 0.00 H new ATOM 0 HG2 ARG A 545 -15.298 -9.805 -10.104 1.00 0.00 H new ATOM 0 HG3 ARG A 545 -14.235 -9.225 -11.371 1.00 0.00 H new ATOM 0 HD2 ARG A 545 -13.523 -11.230 -9.196 1.00 0.00 H new ATOM 0 HD3 ARG A 545 -13.779 -11.586 -10.892 1.00 0.00 H new ATOM 0 HE ARG A 545 -11.754 -9.695 -10.935 1.00 0.00 H new ATOM 0 HH11 ARG A 545 -12.233 -12.787 -9.279 1.00 0.00 H new ATOM 0 HH12 ARG A 545 -10.509 -13.173 -9.269 1.00 0.00 H new ATOM 0 HH21 ARG A 545 -9.558 -10.203 -10.916 1.00 0.00 H new ATOM 0 HH22 ARG A 545 -9.002 -11.716 -10.192 1.00 0.00 H new ATOM 544 N TRP A 546 -13.890 -6.782 -7.152 1.00 0.00 N ATOM 545 CA TRP A 546 -13.342 -5.972 -6.078 1.00 0.00 C ATOM 546 C TRP A 546 -11.832 -5.918 -6.202 1.00 0.00 C ATOM 547 O TRP A 546 -11.162 -6.953 -6.254 1.00 0.00 O ATOM 548 CB TRP A 546 -13.745 -6.512 -4.708 1.00 0.00 C ATOM 549 CG TRP A 546 -15.089 -6.033 -4.265 1.00 0.00 C ATOM 550 CD1 TRP A 546 -16.299 -6.591 -4.552 1.00 0.00 C ATOM 551 CD2 TRP A 546 -15.355 -4.882 -3.456 1.00 0.00 C ATOM 552 NE1 TRP A 546 -17.304 -5.856 -3.970 1.00 0.00 N ATOM 553 CE2 TRP A 546 -16.748 -4.803 -3.290 1.00 0.00 C ATOM 554 CE3 TRP A 546 -14.547 -3.910 -2.854 1.00 0.00 C ATOM 555 CZ2 TRP A 546 -17.352 -3.791 -2.550 1.00 0.00 C ATOM 556 CZ3 TRP A 546 -15.149 -2.907 -2.119 1.00 0.00 C ATOM 557 CH2 TRP A 546 -16.540 -2.854 -1.972 1.00 0.00 C ATOM 0 H TRP A 546 -14.049 -7.761 -6.912 1.00 0.00 H new ATOM 0 HA TRP A 546 -13.750 -4.965 -6.166 1.00 0.00 H new ATOM 0 HB2 TRP A 546 -13.745 -7.602 -4.739 1.00 0.00 H new ATOM 0 HB3 TRP A 546 -12.998 -6.214 -3.972 1.00 0.00 H new ATOM 0 HD1 TRP A 546 -16.446 -7.479 -5.148 1.00 0.00 H new ATOM 0 HE1 TRP A 546 -18.301 -6.061 -4.034 1.00 0.00 H new ATOM 0 HE3 TRP A 546 -13.473 -3.944 -2.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 546 -18.425 -3.747 -2.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 546 -14.536 -2.151 -1.650 1.00 0.00 H new ATOM 0 HH2 TRP A 546 -16.981 -2.058 -1.391 1.00 0.00 H new ATOM 568 N GLN A 547 -11.299 -4.709 -6.265 1.00 0.00 N ATOM 569 CA GLN A 547 -9.870 -4.525 -6.420 1.00 0.00 C ATOM 570 C GLN A 547 -9.303 -3.584 -5.372 1.00 0.00 C ATOM 571 O GLN A 547 -10.020 -2.784 -4.770 1.00 0.00 O ATOM 572 CB GLN A 547 -9.562 -3.991 -7.821 1.00 0.00 C ATOM 573 CG GLN A 547 -10.254 -2.674 -8.135 1.00 0.00 C ATOM 574 CD GLN A 547 -9.987 -2.200 -9.546 1.00 0.00 C ATOM 575 OE1 GLN A 547 -10.719 -2.540 -10.475 1.00 0.00 O ATOM 576 NE2 GLN A 547 -8.939 -1.410 -9.720 1.00 0.00 N ATOM 0 H GLN A 547 -11.835 -3.843 -6.211 1.00 0.00 H new ATOM 0 HA GLN A 547 -9.395 -5.497 -6.284 1.00 0.00 H new ATOM 0 HB2 GLN A 547 -8.485 -3.859 -7.922 1.00 0.00 H new ATOM 0 HB3 GLN A 547 -9.863 -4.735 -8.559 1.00 0.00 H new ATOM 0 HG2 GLN A 547 -11.328 -2.789 -7.991 1.00 0.00 H new ATOM 0 HG3 GLN A 547 -9.917 -1.914 -7.430 1.00 0.00 H new ATOM 0 HE21 GLN A 547 -8.357 -1.152 -8.923 1.00 0.00 H new ATOM 0 HE22 GLN A 547 -8.713 -1.060 -10.651 1.00 0.00 H new ATOM 585 N GLY A 548 -8.004 -3.686 -5.183 1.00 0.00 N ATOM 586 CA GLY A 548 -7.309 -2.838 -4.248 1.00 0.00 C ATOM 587 C GLY A 548 -5.932 -2.496 -4.752 1.00 0.00 C ATOM 588 O GLY A 548 -5.331 -3.274 -5.496 1.00 0.00 O ATOM 0 H GLY A 548 -7.408 -4.355 -5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 548 -7.879 -1.923 -4.088 1.00 0.00 H new ATOM 0 HA3 GLY A 548 -7.233 -3.340 -3.283 1.00 0.00 H new ATOM 592 N GLU A 549 -5.431 -1.343 -4.361 1.00 0.00 N ATOM 593 CA GLU A 549 -4.107 -0.919 -4.776 1.00 0.00 C ATOM 594 C GLU A 549 -3.333 -0.389 -3.581 1.00 0.00 C ATOM 595 O GLU A 549 -3.900 0.214 -2.668 1.00 0.00 O ATOM 596 CB GLU A 549 -4.197 0.146 -5.872 1.00 0.00 C ATOM 597 CG GLU A 549 -4.695 1.480 -5.362 1.00 0.00 C ATOM 598 CD GLU A 549 -5.155 2.409 -6.465 1.00 0.00 C ATOM 599 OE1 GLU A 549 -4.299 3.084 -7.079 1.00 0.00 O ATOM 600 OE2 GLU A 549 -6.375 2.492 -6.709 1.00 0.00 O ATOM 0 H GLU A 549 -5.919 -0.682 -3.757 1.00 0.00 H new ATOM 0 HA GLU A 549 -3.578 -1.780 -5.184 1.00 0.00 H new ATOM 0 HB2 GLU A 549 -3.213 0.280 -6.322 1.00 0.00 H new ATOM 0 HB3 GLU A 549 -4.863 -0.207 -6.660 1.00 0.00 H new ATOM 0 HG2 GLU A 549 -5.521 1.312 -4.671 1.00 0.00 H new ATOM 0 HG3 GLU A 549 -3.899 1.965 -4.796 1.00 0.00 H new ATOM 607 N THR A 550 -2.048 -0.638 -3.590 1.00 0.00 N ATOM 608 CA THR A 550 -1.190 -0.220 -2.500 1.00 0.00 C ATOM 609 C THR A 550 -0.301 0.941 -2.921 1.00 0.00 C ATOM 610 O THR A 550 0.391 0.874 -3.932 1.00 0.00 O ATOM 611 CB THR A 550 -0.317 -1.377 -2.010 1.00 0.00 C ATOM 612 OG1 THR A 550 -1.136 -2.404 -1.432 1.00 0.00 O ATOM 613 CG2 THR A 550 0.698 -0.885 -0.999 1.00 0.00 C ATOM 0 H THR A 550 -1.567 -1.131 -4.342 1.00 0.00 H new ATOM 0 HA THR A 550 -1.837 0.104 -1.685 1.00 0.00 H new ATOM 0 HB THR A 550 0.219 -1.793 -2.863 1.00 0.00 H new ATOM 0 HG1 THR A 550 -1.171 -3.174 -2.037 1.00 0.00 H new ATOM 0 HG21 THR A 550 1.310 -1.721 -0.661 1.00 0.00 H new ATOM 0 HG22 THR A 550 1.336 -0.132 -1.461 1.00 0.00 H new ATOM 0 HG23 THR A 550 0.179 -0.448 -0.146 1.00 0.00 H new ATOM 621 N TRP A 551 -0.372 2.022 -2.171 1.00 0.00 N ATOM 622 CA TRP A 551 0.417 3.193 -2.471 1.00 0.00 C ATOM 623 C TRP A 551 1.520 3.385 -1.431 1.00 0.00 C ATOM 624 O TRP A 551 1.365 3.051 -0.254 1.00 0.00 O ATOM 625 CB TRP A 551 -0.459 4.441 -2.536 1.00 0.00 C ATOM 626 CG TRP A 551 -1.119 4.628 -3.864 1.00 0.00 C ATOM 627 CD1 TRP A 551 -1.988 3.773 -4.470 1.00 0.00 C ATOM 628 CD2 TRP A 551 -0.963 5.740 -4.752 1.00 0.00 C ATOM 629 NE1 TRP A 551 -2.380 4.281 -5.683 1.00 0.00 N ATOM 630 CE2 TRP A 551 -1.767 5.488 -5.879 1.00 0.00 C ATOM 631 CE3 TRP A 551 -0.221 6.924 -4.705 1.00 0.00 C ATOM 632 CZ2 TRP A 551 -1.852 6.376 -6.948 1.00 0.00 C ATOM 633 CZ3 TRP A 551 -0.306 7.805 -5.767 1.00 0.00 C ATOM 634 CH2 TRP A 551 -1.116 7.527 -6.875 1.00 0.00 C ATOM 0 H TRP A 551 -0.969 2.111 -1.349 1.00 0.00 H new ATOM 0 HA TRP A 551 0.877 3.040 -3.447 1.00 0.00 H new ATOM 0 HB2 TRP A 551 -1.224 4.381 -1.762 1.00 0.00 H new ATOM 0 HB3 TRP A 551 0.150 5.317 -2.314 1.00 0.00 H new ATOM 0 HD1 TRP A 551 -2.320 2.832 -4.056 1.00 0.00 H new ATOM 0 HE1 TRP A 551 -3.024 3.831 -6.333 1.00 0.00 H new ATOM 0 HE3 TRP A 551 0.407 7.146 -3.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 -2.476 6.164 -7.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 0.262 8.723 -5.742 1.00 0.00 H new ATOM 0 HH2 TRP A 551 -1.161 8.236 -7.689 1.00 0.00 H new ATOM 645 N TYR A 552 2.621 3.928 -1.906 1.00 0.00 N ATOM 646 CA TYR A 552 3.765 4.245 -1.058 1.00 0.00 C ATOM 647 C TYR A 552 4.217 5.672 -1.301 1.00 0.00 C ATOM 648 O TYR A 552 4.025 6.216 -2.389 1.00 0.00 O ATOM 649 CB TYR A 552 4.935 3.289 -1.325 1.00 0.00 C ATOM 650 CG TYR A 552 4.908 1.985 -0.544 1.00 0.00 C ATOM 651 CD1 TYR A 552 4.180 0.887 -0.988 1.00 0.00 C ATOM 652 CD2 TYR A 552 5.654 1.843 0.621 1.00 0.00 C ATOM 653 CE1 TYR A 552 4.197 -0.308 -0.297 1.00 0.00 C ATOM 654 CE2 TYR A 552 5.667 0.651 1.320 1.00 0.00 C ATOM 655 CZ TYR A 552 4.940 -0.421 0.856 1.00 0.00 C ATOM 656 OH TYR A 552 4.960 -1.614 1.540 1.00 0.00 O ATOM 0 H TYR A 552 2.754 4.164 -2.889 1.00 0.00 H new ATOM 0 HA TYR A 552 3.452 4.131 -0.020 1.00 0.00 H new ATOM 0 HB2 TYR A 552 4.954 3.054 -2.389 1.00 0.00 H new ATOM 0 HB3 TYR A 552 5.865 3.809 -1.097 1.00 0.00 H new ATOM 0 HD1 TYR A 552 3.591 0.970 -1.889 1.00 0.00 H new ATOM 0 HD2 TYR A 552 6.233 2.679 0.986 1.00 0.00 H new ATOM 0 HE1 TYR A 552 3.629 -1.152 -0.660 1.00 0.00 H new ATOM 0 HE2 TYR A 552 6.246 0.561 2.227 1.00 0.00 H new ATOM 0 HH TYR A 552 5.617 -1.564 2.266 1.00 0.00 H new ATOM 666 N TYR A 553 4.810 6.291 -0.295 1.00 0.00 N ATOM 667 CA TYR A 553 5.277 7.659 -0.418 1.00 0.00 C ATOM 668 C TYR A 553 6.668 7.797 0.185 1.00 0.00 C ATOM 669 O TYR A 553 6.906 7.363 1.315 1.00 0.00 O ATOM 670 CB TYR A 553 4.302 8.609 0.290 1.00 0.00 C ATOM 671 CG TYR A 553 2.849 8.382 -0.082 1.00 0.00 C ATOM 672 CD1 TYR A 553 2.070 7.476 0.626 1.00 0.00 C ATOM 673 CD2 TYR A 553 2.262 9.064 -1.140 1.00 0.00 C ATOM 674 CE1 TYR A 553 0.750 7.255 0.292 1.00 0.00 C ATOM 675 CE2 TYR A 553 0.938 8.849 -1.479 1.00 0.00 C ATOM 676 CZ TYR A 553 0.187 7.944 -0.760 1.00 0.00 C ATOM 677 OH TYR A 553 -1.133 7.726 -1.090 1.00 0.00 O ATOM 0 H TYR A 553 4.979 5.866 0.617 1.00 0.00 H new ATOM 0 HA TYR A 553 5.326 7.921 -1.475 1.00 0.00 H new ATOM 0 HB2 TYR A 553 4.414 8.493 1.368 1.00 0.00 H new ATOM 0 HB3 TYR A 553 4.573 9.637 0.050 1.00 0.00 H new ATOM 0 HD1 TYR A 553 2.506 6.935 1.453 1.00 0.00 H new ATOM 0 HD2 TYR A 553 2.848 9.773 -1.707 1.00 0.00 H new ATOM 0 HE1 TYR A 553 0.160 6.545 0.853 1.00 0.00 H new ATOM 0 HE2 TYR A 553 0.495 9.388 -2.303 1.00 0.00 H new ATOM 0 HH TYR A 553 -1.670 7.669 -0.272 1.00 0.00 H new ATOM 687 N GLY A 554 7.581 8.387 -0.576 1.00 0.00 N ATOM 688 CA GLY A 554 8.930 8.596 -0.093 1.00 0.00 C ATOM 689 C GLY A 554 8.982 9.624 1.020 1.00 0.00 C ATOM 690 O GLY A 554 8.374 10.688 0.906 1.00 0.00 O ATOM 0 H GLY A 554 7.409 8.725 -1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 554 9.337 7.651 0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 554 9.564 8.922 -0.918 1.00 0.00 H new ATOM 694 N PRO A 555 9.716 9.339 2.106 1.00 0.00 N ATOM 695 CA PRO A 555 9.797 10.231 3.272 1.00 0.00 C ATOM 696 C PRO A 555 10.650 11.467 3.004 1.00 0.00 C ATOM 697 O PRO A 555 10.728 12.379 3.828 1.00 0.00 O ATOM 698 CB PRO A 555 10.458 9.353 4.335 1.00 0.00 C ATOM 699 CG PRO A 555 11.279 8.378 3.565 1.00 0.00 C ATOM 700 CD PRO A 555 10.529 8.120 2.287 1.00 0.00 C ATOM 0 HA PRO A 555 8.819 10.618 3.558 1.00 0.00 H new ATOM 0 HB2 PRO A 555 11.076 9.946 5.009 1.00 0.00 H new ATOM 0 HB3 PRO A 555 9.713 8.846 4.948 1.00 0.00 H new ATOM 0 HG2 PRO A 555 12.271 8.780 3.360 1.00 0.00 H new ATOM 0 HG3 PRO A 555 11.419 7.455 4.128 1.00 0.00 H new ATOM 0 HD2 PRO A 555 11.208 7.964 1.449 1.00 0.00 H new ATOM 0 HD3 PRO A 555 9.905 7.230 2.362 1.00 0.00 H new ATOM 708 N CYS A 556 11.290 11.482 1.850 1.00 0.00 N ATOM 709 CA CYS A 556 12.209 12.548 1.493 1.00 0.00 C ATOM 710 C CYS A 556 12.107 12.892 0.010 1.00 0.00 C ATOM 711 O CYS A 556 12.899 13.683 -0.502 1.00 0.00 O ATOM 712 CB CYS A 556 13.642 12.153 1.864 1.00 0.00 C ATOM 713 SG CYS A 556 14.055 10.429 1.501 1.00 0.00 S ATOM 0 H CYS A 556 11.189 10.760 1.137 1.00 0.00 H new ATOM 0 HA CYS A 556 11.935 13.440 2.056 1.00 0.00 H new ATOM 0 HB2 CYS A 556 14.336 12.801 1.329 1.00 0.00 H new ATOM 0 HB3 CYS A 556 13.793 12.335 2.928 1.00 0.00 H new ATOM 0 HG CYS A 556 13.416 10.045 0.436 1.00 0.00 H new ATOM 719 N GLY A 557 11.132 12.300 -0.680 1.00 0.00 N ATOM 720 CA GLY A 557 11.083 12.426 -2.123 1.00 0.00 C ATOM 721 C GLY A 557 9.693 12.205 -2.692 1.00 0.00 C ATOM 722 O GLY A 557 8.689 12.504 -2.045 1.00 0.00 O ATOM 0 H GLY A 557 10.384 11.742 -0.268 1.00 0.00 H new ATOM 0 HA2 GLY A 557 11.432 13.419 -2.407 1.00 0.00 H new ATOM 0 HA3 GLY A 557 11.770 11.707 -2.568 1.00 0.00 H new ATOM 726 N LYS A 558 9.655 11.664 -3.903 1.00 0.00 N ATOM 727 CA LYS A 558 8.397 11.458 -4.622 1.00 0.00 C ATOM 728 C LYS A 558 7.621 10.262 -4.068 1.00 0.00 C ATOM 729 O LYS A 558 8.030 9.642 -3.085 1.00 0.00 O ATOM 730 CB LYS A 558 8.635 11.285 -6.131 1.00 0.00 C ATOM 731 CG LYS A 558 9.398 10.027 -6.534 1.00 0.00 C ATOM 732 CD LYS A 558 10.898 10.197 -6.377 1.00 0.00 C ATOM 733 CE LYS A 558 11.662 9.239 -7.277 1.00 0.00 C ATOM 734 NZ LYS A 558 11.472 9.567 -8.714 1.00 0.00 N ATOM 0 H LYS A 558 10.484 11.357 -4.413 1.00 0.00 H new ATOM 0 HA LYS A 558 7.795 12.354 -4.470 1.00 0.00 H new ATOM 0 HB2 LYS A 558 7.669 11.281 -6.636 1.00 0.00 H new ATOM 0 HB3 LYS A 558 9.182 12.154 -6.497 1.00 0.00 H new ATOM 0 HG2 LYS A 558 9.062 9.188 -5.924 1.00 0.00 H new ATOM 0 HG3 LYS A 558 9.168 9.780 -7.570 1.00 0.00 H new ATOM 0 HD2 LYS A 558 11.176 11.223 -6.616 1.00 0.00 H new ATOM 0 HD3 LYS A 558 11.179 10.024 -5.338 1.00 0.00 H new ATOM 0 HE2 LYS A 558 12.723 9.277 -7.032 1.00 0.00 H new ATOM 0 HE3 LYS A 558 11.328 8.218 -7.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 558 12.266 9.184 -9.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 558 10.582 9.147 -9.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 558 11.434 10.600 -8.832 1.00 0.00 H new ATOM 748 N ARG A 559 6.498 9.939 -4.702 1.00 0.00 N ATOM 749 CA ARG A 559 5.676 8.822 -4.260 1.00 0.00 C ATOM 750 C ARG A 559 5.600 7.754 -5.339 1.00 0.00 C ATOM 751 O ARG A 559 5.506 8.052 -6.535 1.00 0.00 O ATOM 752 CB ARG A 559 4.262 9.266 -3.858 1.00 0.00 C ATOM 753 CG ARG A 559 3.335 9.609 -5.019 1.00 0.00 C ATOM 754 CD ARG A 559 3.661 10.961 -5.629 1.00 0.00 C ATOM 755 NE ARG A 559 3.689 12.017 -4.620 1.00 0.00 N ATOM 756 CZ ARG A 559 4.479 13.087 -4.679 1.00 0.00 C ATOM 757 NH1 ARG A 559 5.259 13.285 -5.735 1.00 0.00 N ATOM 758 NH2 ARG A 559 4.470 13.970 -3.691 1.00 0.00 N ATOM 0 H ARG A 559 6.139 10.433 -5.519 1.00 0.00 H new ATOM 0 HA ARG A 559 6.155 8.405 -3.374 1.00 0.00 H new ATOM 0 HB2 ARG A 559 3.803 8.472 -3.269 1.00 0.00 H new ATOM 0 HB3 ARG A 559 4.343 10.138 -3.209 1.00 0.00 H new ATOM 0 HG2 ARG A 559 3.413 8.838 -5.785 1.00 0.00 H new ATOM 0 HG3 ARG A 559 2.302 9.608 -4.670 1.00 0.00 H new ATOM 0 HD2 ARG A 559 4.628 10.911 -6.130 1.00 0.00 H new ATOM 0 HD3 ARG A 559 2.920 11.205 -6.390 1.00 0.00 H new ATOM 0 HE ARG A 559 3.063 11.929 -3.819 1.00 0.00 H new ATOM 0 HH11 ARG A 559 5.254 12.616 -6.505 1.00 0.00 H new ATOM 0 HH12 ARG A 559 5.863 14.106 -5.776 1.00 0.00 H new ATOM 0 HH21 ARG A 559 3.858 13.829 -2.887 1.00 0.00 H new ATOM 0 HH22 ARG A 559 5.075 14.790 -3.735 1.00 0.00 H new ATOM 772 N MET A 560 5.657 6.514 -4.905 1.00 0.00 N ATOM 773 CA MET A 560 5.655 5.393 -5.817 1.00 0.00 C ATOM 774 C MET A 560 4.567 4.403 -5.441 1.00 0.00 C ATOM 775 O MET A 560 4.283 4.203 -4.266 1.00 0.00 O ATOM 776 CB MET A 560 7.025 4.706 -5.822 1.00 0.00 C ATOM 777 CG MET A 560 8.180 5.613 -6.254 1.00 0.00 C ATOM 778 SD MET A 560 8.682 6.800 -4.990 1.00 0.00 S ATOM 779 CE MET A 560 9.023 5.705 -3.618 1.00 0.00 C ATOM 0 H MET A 560 5.706 6.256 -3.919 1.00 0.00 H new ATOM 0 HA MET A 560 5.450 5.765 -6.821 1.00 0.00 H new ATOM 0 HB2 MET A 560 7.232 4.325 -4.822 1.00 0.00 H new ATOM 0 HB3 MET A 560 6.985 3.845 -6.489 1.00 0.00 H new ATOM 0 HG2 MET A 560 9.037 4.994 -6.519 1.00 0.00 H new ATOM 0 HG3 MET A 560 7.888 6.155 -7.153 1.00 0.00 H new ATOM 0 HE1 MET A 560 9.848 6.105 -3.029 1.00 0.00 H new ATOM 0 HE2 MET A 560 8.136 5.622 -2.990 1.00 0.00 H new ATOM 0 HE3 MET A 560 9.293 4.719 -3.997 1.00 0.00 H new ATOM 789 N LYS A 561 3.960 3.782 -6.435 1.00 0.00 N ATOM 790 CA LYS A 561 2.937 2.782 -6.180 1.00 0.00 C ATOM 791 C LYS A 561 3.110 1.598 -7.125 1.00 0.00 C ATOM 792 O LYS A 561 2.272 0.701 -7.199 1.00 0.00 O ATOM 793 CB LYS A 561 1.532 3.382 -6.277 1.00 0.00 C ATOM 794 CG LYS A 561 1.233 4.138 -7.565 1.00 0.00 C ATOM 795 CD LYS A 561 0.767 3.222 -8.683 1.00 0.00 C ATOM 796 CE LYS A 561 -0.583 2.590 -8.374 1.00 0.00 C ATOM 797 NZ LYS A 561 -1.114 1.827 -9.533 1.00 0.00 N ATOM 0 H LYS A 561 4.155 3.950 -7.422 1.00 0.00 H new ATOM 0 HA LYS A 561 3.056 2.421 -5.159 1.00 0.00 H new ATOM 0 HB2 LYS A 561 0.804 2.578 -6.170 1.00 0.00 H new ATOM 0 HB3 LYS A 561 1.385 4.059 -5.436 1.00 0.00 H new ATOM 0 HG2 LYS A 561 0.467 4.889 -7.372 1.00 0.00 H new ATOM 0 HG3 LYS A 561 2.128 4.671 -7.886 1.00 0.00 H new ATOM 0 HD2 LYS A 561 0.698 3.789 -9.612 1.00 0.00 H new ATOM 0 HD3 LYS A 561 1.507 2.438 -8.842 1.00 0.00 H new ATOM 0 HE2 LYS A 561 -0.485 1.925 -7.516 1.00 0.00 H new ATOM 0 HE3 LYS A 561 -1.293 3.368 -8.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 -1.769 1.093 -9.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 -1.619 2.473 -10.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 -0.327 1.380 -10.044 1.00 0.00 H new ATOM 811 N GLN A 562 4.219 1.617 -7.841 1.00 0.00 N ATOM 812 CA GLN A 562 4.617 0.503 -8.673 1.00 0.00 C ATOM 813 C GLN A 562 5.931 -0.044 -8.155 1.00 0.00 C ATOM 814 O GLN A 562 6.770 0.710 -7.663 1.00 0.00 O ATOM 815 CB GLN A 562 4.770 0.939 -10.130 1.00 0.00 C ATOM 816 CG GLN A 562 3.509 1.534 -10.735 1.00 0.00 C ATOM 817 CD GLN A 562 2.372 0.534 -10.853 1.00 0.00 C ATOM 818 OE1 GLN A 562 1.201 0.892 -10.745 1.00 0.00 O ATOM 819 NE2 GLN A 562 2.704 -0.722 -11.098 1.00 0.00 N ATOM 0 H GLN A 562 4.866 2.405 -7.860 1.00 0.00 H new ATOM 0 HA GLN A 562 3.848 -0.268 -8.633 1.00 0.00 H new ATOM 0 HB2 GLN A 562 5.573 1.673 -10.196 1.00 0.00 H new ATOM 0 HB3 GLN A 562 5.075 0.078 -10.726 1.00 0.00 H new ATOM 0 HG2 GLN A 562 3.182 2.375 -10.123 1.00 0.00 H new ATOM 0 HG3 GLN A 562 3.740 1.930 -11.724 1.00 0.00 H new ATOM 0 HE21 GLN A 562 3.687 -0.983 -11.181 1.00 0.00 H new ATOM 0 HE22 GLN A 562 1.978 -1.430 -11.204 1.00 0.00 H new ATOM 828 N PHE A 563 6.103 -1.349 -8.257 1.00 0.00 N ATOM 829 CA PHE A 563 7.342 -1.991 -7.843 1.00 0.00 C ATOM 830 C PHE A 563 8.552 -1.375 -8.558 1.00 0.00 C ATOM 831 O PHE A 563 9.528 -1.006 -7.904 1.00 0.00 O ATOM 832 CB PHE A 563 7.276 -3.498 -8.102 1.00 0.00 C ATOM 833 CG PHE A 563 8.388 -4.269 -7.451 1.00 0.00 C ATOM 834 CD1 PHE A 563 8.761 -3.999 -6.144 1.00 0.00 C ATOM 835 CD2 PHE A 563 9.059 -5.264 -8.141 1.00 0.00 C ATOM 836 CE1 PHE A 563 9.778 -4.706 -5.538 1.00 0.00 C ATOM 837 CE2 PHE A 563 10.078 -5.977 -7.538 1.00 0.00 C ATOM 838 CZ PHE A 563 10.437 -5.698 -6.235 1.00 0.00 C ATOM 0 H PHE A 563 5.399 -1.989 -8.624 1.00 0.00 H new ATOM 0 HA PHE A 563 7.465 -1.826 -6.773 1.00 0.00 H new ATOM 0 HB2 PHE A 563 6.321 -3.879 -7.740 1.00 0.00 H new ATOM 0 HB3 PHE A 563 7.303 -3.675 -9.177 1.00 0.00 H new ATOM 0 HD1 PHE A 563 8.248 -3.225 -5.593 1.00 0.00 H new ATOM 0 HD2 PHE A 563 8.783 -5.486 -9.161 1.00 0.00 H new ATOM 0 HE1 PHE A 563 10.058 -4.484 -4.519 1.00 0.00 H new ATOM 0 HE2 PHE A 563 10.593 -6.752 -8.086 1.00 0.00 H new ATOM 0 HZ PHE A 563 11.232 -6.255 -5.762 1.00 0.00 H new ATOM 848 N PRO A 564 8.502 -1.220 -9.903 1.00 0.00 N ATOM 849 CA PRO A 564 9.605 -0.626 -10.672 1.00 0.00 C ATOM 850 C PRO A 564 9.884 0.822 -10.276 1.00 0.00 C ATOM 851 O PRO A 564 10.961 1.345 -10.551 1.00 0.00 O ATOM 852 CB PRO A 564 9.125 -0.699 -12.123 1.00 0.00 C ATOM 853 CG PRO A 564 7.647 -0.823 -12.027 1.00 0.00 C ATOM 854 CD PRO A 564 7.390 -1.613 -10.785 1.00 0.00 C ATOM 0 HA PRO A 564 10.542 -1.154 -10.496 1.00 0.00 H new ATOM 0 HB2 PRO A 564 9.412 0.193 -12.680 1.00 0.00 H new ATOM 0 HB3 PRO A 564 9.561 -1.553 -12.642 1.00 0.00 H new ATOM 0 HG2 PRO A 564 7.174 0.158 -11.973 1.00 0.00 H new ATOM 0 HG3 PRO A 564 7.238 -1.326 -12.903 1.00 0.00 H new ATOM 0 HD2 PRO A 564 6.422 -1.370 -10.346 1.00 0.00 H new ATOM 0 HD3 PRO A 564 7.391 -2.685 -10.982 1.00 0.00 H new ATOM 862 N GLU A 565 8.935 1.453 -9.586 1.00 0.00 N ATOM 863 CA GLU A 565 9.114 2.814 -9.090 1.00 0.00 C ATOM 864 C GLU A 565 9.858 2.812 -7.761 1.00 0.00 C ATOM 865 O GLU A 565 10.543 3.771 -7.413 1.00 0.00 O ATOM 866 CB GLU A 565 7.762 3.509 -8.919 1.00 0.00 C ATOM 867 CG GLU A 565 7.030 3.802 -10.218 1.00 0.00 C ATOM 868 CD GLU A 565 5.683 4.465 -9.984 1.00 0.00 C ATOM 869 OE1 GLU A 565 5.081 4.249 -8.908 1.00 0.00 O ATOM 870 OE2 GLU A 565 5.223 5.216 -10.869 1.00 0.00 O ATOM 0 H GLU A 565 8.031 1.040 -9.358 1.00 0.00 H new ATOM 0 HA GLU A 565 9.705 3.361 -9.825 1.00 0.00 H new ATOM 0 HB2 GLU A 565 7.125 2.886 -8.292 1.00 0.00 H new ATOM 0 HB3 GLU A 565 7.916 4.447 -8.385 1.00 0.00 H new ATOM 0 HG2 GLU A 565 7.647 4.448 -10.842 1.00 0.00 H new ATOM 0 HG3 GLU A 565 6.884 2.872 -10.768 1.00 0.00 H new ATOM 877 N VAL A 566 9.708 1.739 -7.011 1.00 0.00 N ATOM 878 CA VAL A 566 10.389 1.627 -5.735 1.00 0.00 C ATOM 879 C VAL A 566 11.854 1.246 -5.944 1.00 0.00 C ATOM 880 O VAL A 566 12.751 1.843 -5.346 1.00 0.00 O ATOM 881 CB VAL A 566 9.683 0.627 -4.793 1.00 0.00 C ATOM 882 CG1 VAL A 566 10.535 0.344 -3.565 1.00 0.00 C ATOM 883 CG2 VAL A 566 8.316 1.169 -4.380 1.00 0.00 C ATOM 0 H VAL A 566 9.127 0.938 -7.259 1.00 0.00 H new ATOM 0 HA VAL A 566 10.351 2.603 -5.251 1.00 0.00 H new ATOM 0 HB VAL A 566 9.543 -0.311 -5.330 1.00 0.00 H new ATOM 0 HG11 VAL A 566 10.016 -0.363 -2.917 1.00 0.00 H new ATOM 0 HG12 VAL A 566 11.490 -0.081 -3.875 1.00 0.00 H new ATOM 0 HG13 VAL A 566 10.710 1.273 -3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 566 7.827 0.456 -3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 566 8.443 2.119 -3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 566 7.701 1.319 -5.267 1.00 0.00 H new ATOM 893 N ILE A 567 12.091 0.274 -6.825 1.00 0.00 N ATOM 894 CA ILE A 567 13.452 -0.198 -7.117 1.00 0.00 C ATOM 895 C ILE A 567 14.342 0.942 -7.609 1.00 0.00 C ATOM 896 O ILE A 567 15.538 0.989 -7.313 1.00 0.00 O ATOM 897 CB ILE A 567 13.459 -1.315 -8.183 1.00 0.00 C ATOM 898 CG1 ILE A 567 12.299 -2.277 -7.960 1.00 0.00 C ATOM 899 CG2 ILE A 567 14.775 -2.075 -8.140 1.00 0.00 C ATOM 900 CD1 ILE A 567 12.284 -2.883 -6.581 1.00 0.00 C ATOM 0 H ILE A 567 11.360 -0.205 -7.351 1.00 0.00 H new ATOM 0 HA ILE A 567 13.842 -0.594 -6.180 1.00 0.00 H new ATOM 0 HB ILE A 567 13.346 -0.853 -9.164 1.00 0.00 H new ATOM 0 HG12 ILE A 567 11.361 -1.748 -8.127 1.00 0.00 H new ATOM 0 HG13 ILE A 567 12.351 -3.076 -8.700 1.00 0.00 H new ATOM 0 HG21 ILE A 567 14.767 -2.860 -8.896 1.00 0.00 H new ATOM 0 HG22 ILE A 567 15.598 -1.389 -8.338 1.00 0.00 H new ATOM 0 HG23 ILE A 567 14.905 -2.522 -7.155 1.00 0.00 H new ATOM 0 HD11 ILE A 567 11.433 -3.558 -6.489 1.00 0.00 H new ATOM 0 HD12 ILE A 567 13.207 -3.439 -6.418 1.00 0.00 H new ATOM 0 HD13 ILE A 567 12.201 -2.091 -5.837 1.00 0.00 H new ATOM 912 N LYS A 568 13.743 1.876 -8.327 1.00 0.00 N ATOM 913 CA LYS A 568 14.502 3.006 -8.835 1.00 0.00 C ATOM 914 C LYS A 568 14.837 3.979 -7.712 1.00 0.00 C ATOM 915 O LYS A 568 15.944 4.499 -7.652 1.00 0.00 O ATOM 916 CB LYS A 568 13.772 3.712 -9.981 1.00 0.00 C ATOM 917 CG LYS A 568 12.390 4.204 -9.618 1.00 0.00 C ATOM 918 CD LYS A 568 11.711 4.914 -10.781 1.00 0.00 C ATOM 919 CE LYS A 568 11.461 3.975 -11.950 1.00 0.00 C ATOM 920 NZ LYS A 568 10.753 4.653 -13.066 1.00 0.00 N ATOM 0 H LYS A 568 12.752 1.877 -8.568 1.00 0.00 H new ATOM 0 HA LYS A 568 15.437 2.620 -9.241 1.00 0.00 H new ATOM 0 HB2 LYS A 568 14.372 4.559 -10.314 1.00 0.00 H new ATOM 0 HB3 LYS A 568 13.693 3.026 -10.825 1.00 0.00 H new ATOM 0 HG2 LYS A 568 11.777 3.360 -9.301 1.00 0.00 H new ATOM 0 HG3 LYS A 568 12.459 4.884 -8.769 1.00 0.00 H new ATOM 0 HD2 LYS A 568 10.764 5.336 -10.445 1.00 0.00 H new ATOM 0 HD3 LYS A 568 12.332 5.747 -11.111 1.00 0.00 H new ATOM 0 HE2 LYS A 568 12.412 3.582 -12.309 1.00 0.00 H new ATOM 0 HE3 LYS A 568 10.872 3.123 -11.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 10.602 3.978 -13.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 9.834 5.006 -12.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 11.326 5.451 -13.407 1.00 0.00 H new ATOM 934 N TYR A 569 13.894 4.190 -6.797 1.00 0.00 N ATOM 935 CA TYR A 569 14.063 5.160 -5.723 1.00 0.00 C ATOM 936 C TYR A 569 15.203 4.740 -4.809 1.00 0.00 C ATOM 937 O TYR A 569 16.009 5.568 -4.382 1.00 0.00 O ATOM 938 CB TYR A 569 12.766 5.290 -4.917 1.00 0.00 C ATOM 939 CG TYR A 569 12.793 6.389 -3.875 1.00 0.00 C ATOM 940 CD1 TYR A 569 13.324 6.169 -2.609 1.00 0.00 C ATOM 941 CD2 TYR A 569 12.276 7.644 -4.160 1.00 0.00 C ATOM 942 CE1 TYR A 569 13.339 7.174 -1.658 1.00 0.00 C ATOM 943 CE2 TYR A 569 12.288 8.653 -3.217 1.00 0.00 C ATOM 944 CZ TYR A 569 12.818 8.414 -1.969 1.00 0.00 C ATOM 945 OH TYR A 569 12.828 9.423 -1.031 1.00 0.00 O ATOM 0 H TYR A 569 13.001 3.698 -6.780 1.00 0.00 H new ATOM 0 HA TYR A 569 14.303 6.128 -6.163 1.00 0.00 H new ATOM 0 HB2 TYR A 569 11.941 5.476 -5.604 1.00 0.00 H new ATOM 0 HB3 TYR A 569 12.561 4.340 -4.423 1.00 0.00 H new ATOM 0 HD1 TYR A 569 13.731 5.199 -2.364 1.00 0.00 H new ATOM 0 HD2 TYR A 569 11.857 7.836 -5.137 1.00 0.00 H new ATOM 0 HE1 TYR A 569 13.756 6.990 -0.679 1.00 0.00 H new ATOM 0 HE2 TYR A 569 11.883 9.625 -3.457 1.00 0.00 H new ATOM 0 HH TYR A 569 11.986 9.922 -1.079 1.00 0.00 H new ATOM 955 N LEU A 570 15.268 3.445 -4.536 1.00 0.00 N ATOM 956 CA LEU A 570 16.301 2.887 -3.675 1.00 0.00 C ATOM 957 C LEU A 570 17.666 3.006 -4.342 1.00 0.00 C ATOM 958 O LEU A 570 18.687 3.147 -3.679 1.00 0.00 O ATOM 959 CB LEU A 570 15.995 1.419 -3.386 1.00 0.00 C ATOM 960 CG LEU A 570 14.548 1.124 -2.986 1.00 0.00 C ATOM 961 CD1 LEU A 570 14.361 -0.353 -2.706 1.00 0.00 C ATOM 962 CD2 LEU A 570 14.140 1.950 -1.779 1.00 0.00 C ATOM 0 H LEU A 570 14.611 2.756 -4.902 1.00 0.00 H new ATOM 0 HA LEU A 570 16.317 3.444 -2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 570 16.237 0.832 -4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 570 16.653 1.077 -2.587 1.00 0.00 H new ATOM 0 HG LEU A 570 13.904 1.401 -3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 570 13.325 -0.541 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 570 14.603 -0.926 -3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 570 15.020 -0.655 -1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 570 13.107 1.722 -1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 570 14.791 1.712 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 570 14.228 3.010 -2.017 1.00 0.00 H new ATOM 974 N SER A 571 17.670 2.922 -5.663 1.00 0.00 N ATOM 975 CA SER A 571 18.888 3.071 -6.440 1.00 0.00 C ATOM 976 C SER A 571 19.331 4.538 -6.482 1.00 0.00 C ATOM 977 O SER A 571 20.524 4.836 -6.532 1.00 0.00 O ATOM 978 CB SER A 571 18.661 2.533 -7.858 1.00 0.00 C ATOM 979 OG SER A 571 19.860 2.524 -8.616 1.00 0.00 O ATOM 0 H SER A 571 16.835 2.750 -6.223 1.00 0.00 H new ATOM 0 HA SER A 571 19.683 2.497 -5.965 1.00 0.00 H new ATOM 0 HB2 SER A 571 18.258 1.522 -7.803 1.00 0.00 H new ATOM 0 HB3 SER A 571 17.915 3.146 -8.364 1.00 0.00 H new ATOM 0 HG SER A 571 19.677 2.174 -9.513 1.00 0.00 H new ATOM 985 N ARG A 572 18.360 5.445 -6.448 1.00 0.00 N ATOM 986 CA ARG A 572 18.630 6.875 -6.584 1.00 0.00 C ATOM 987 C ARG A 572 19.048 7.502 -5.257 1.00 0.00 C ATOM 988 O ARG A 572 19.872 8.417 -5.224 1.00 0.00 O ATOM 989 CB ARG A 572 17.390 7.587 -7.128 1.00 0.00 C ATOM 990 CG ARG A 572 16.981 7.108 -8.510 1.00 0.00 C ATOM 991 CD ARG A 572 15.628 7.660 -8.930 1.00 0.00 C ATOM 992 NE ARG A 572 15.629 9.120 -9.000 1.00 0.00 N ATOM 993 CZ ARG A 572 15.351 9.819 -10.102 1.00 0.00 C ATOM 994 NH1 ARG A 572 15.057 9.197 -11.239 1.00 0.00 N ATOM 995 NH2 ARG A 572 15.373 11.145 -10.064 1.00 0.00 N ATOM 0 H ARG A 572 17.374 5.215 -6.327 1.00 0.00 H new ATOM 0 HA ARG A 572 19.459 6.992 -7.282 1.00 0.00 H new ATOM 0 HB2 ARG A 572 16.560 7.435 -6.438 1.00 0.00 H new ATOM 0 HB3 ARG A 572 17.582 8.659 -7.165 1.00 0.00 H new ATOM 0 HG2 ARG A 572 17.736 7.410 -9.236 1.00 0.00 H new ATOM 0 HG3 ARG A 572 16.946 6.019 -8.520 1.00 0.00 H new ATOM 0 HD2 ARG A 572 15.356 7.251 -9.903 1.00 0.00 H new ATOM 0 HD3 ARG A 572 14.867 7.332 -8.222 1.00 0.00 H new ATOM 0 HE ARG A 572 15.857 9.638 -8.151 1.00 0.00 H new ATOM 0 HH11 ARG A 572 15.043 8.178 -11.274 1.00 0.00 H new ATOM 0 HH12 ARG A 572 14.846 9.739 -12.077 1.00 0.00 H new ATOM 0 HH21 ARG A 572 15.602 11.627 -9.194 1.00 0.00 H new ATOM 0 HH22 ARG A 572 15.161 11.683 -10.904 1.00 0.00 H new ATOM 1009 N ASN A 573 18.479 7.008 -4.171 1.00 0.00 N ATOM 1010 CA ASN A 573 18.748 7.554 -2.846 1.00 0.00 C ATOM 1011 C ASN A 573 19.438 6.513 -1.992 1.00 0.00 C ATOM 1012 O ASN A 573 19.257 5.318 -2.207 1.00 0.00 O ATOM 1013 CB ASN A 573 17.446 7.979 -2.167 1.00 0.00 C ATOM 1014 CG ASN A 573 16.697 9.046 -2.942 1.00 0.00 C ATOM 1015 OD1 ASN A 573 16.858 10.242 -2.691 1.00 0.00 O ATOM 1016 ND2 ASN A 573 15.877 8.622 -3.895 1.00 0.00 N ATOM 0 H ASN A 573 17.824 6.226 -4.178 1.00 0.00 H new ATOM 0 HA ASN A 573 19.393 8.426 -2.957 1.00 0.00 H new ATOM 0 HB2 ASN A 573 16.804 7.107 -2.046 1.00 0.00 H new ATOM 0 HB3 ASN A 573 17.668 8.352 -1.167 1.00 0.00 H new ATOM 0 HD21 ASN A 573 15.351 9.295 -4.452 1.00 0.00 H new ATOM 0 HD22 ASN A 573 15.773 7.623 -4.071 1.00 0.00 H new ATOM 1023 N VAL A 574 20.221 6.949 -1.023 1.00 0.00 N ATOM 1024 CA VAL A 574 20.896 6.012 -0.149 1.00 0.00 C ATOM 1025 C VAL A 574 19.930 5.507 0.914 1.00 0.00 C ATOM 1026 O VAL A 574 19.450 6.274 1.755 1.00 0.00 O ATOM 1027 CB VAL A 574 22.123 6.649 0.532 1.00 0.00 C ATOM 1028 CG1 VAL A 574 22.887 5.610 1.340 1.00 0.00 C ATOM 1029 CG2 VAL A 574 23.025 7.305 -0.502 1.00 0.00 C ATOM 0 H VAL A 574 20.403 7.933 -0.824 1.00 0.00 H new ATOM 0 HA VAL A 574 21.243 5.180 -0.762 1.00 0.00 H new ATOM 0 HB VAL A 574 21.776 7.421 1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 574 23.750 6.079 1.813 1.00 0.00 H new ATOM 0 HG12 VAL A 574 22.234 5.194 2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 574 23.225 4.812 0.679 1.00 0.00 H new ATOM 0 HG21 VAL A 574 23.886 7.750 -0.004 1.00 0.00 H new ATOM 0 HG22 VAL A 574 23.366 6.555 -1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 574 22.470 8.081 -1.029 1.00 0.00 H new ATOM 1039 N VAL A 575 19.658 4.211 0.877 1.00 0.00 N ATOM 1040 CA VAL A 575 18.719 3.593 1.801 1.00 0.00 C ATOM 1041 C VAL A 575 19.236 2.226 2.234 1.00 0.00 C ATOM 1042 O VAL A 575 19.310 1.298 1.426 1.00 0.00 O ATOM 1043 CB VAL A 575 17.316 3.415 1.168 1.00 0.00 C ATOM 1044 CG1 VAL A 575 16.313 2.960 2.213 1.00 0.00 C ATOM 1045 CG2 VAL A 575 16.831 4.694 0.499 1.00 0.00 C ATOM 0 H VAL A 575 20.078 3.563 0.211 1.00 0.00 H new ATOM 0 HA VAL A 575 18.630 4.257 2.661 1.00 0.00 H new ATOM 0 HB VAL A 575 17.402 2.648 0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 575 15.334 2.840 1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 575 16.634 2.007 2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 575 16.251 3.705 3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 575 15.844 4.527 0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 575 16.773 5.492 1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 575 17.528 4.979 -0.289 1.00 0.00 H new ATOM 1055 N HIS A 576 19.606 2.104 3.500 1.00 0.00 N ATOM 1056 CA HIS A 576 20.141 0.849 4.014 1.00 0.00 C ATOM 1057 C HIS A 576 19.134 0.164 4.935 1.00 0.00 C ATOM 1058 O HIS A 576 19.194 -1.048 5.144 1.00 0.00 O ATOM 1059 CB HIS A 576 21.462 1.092 4.762 1.00 0.00 C ATOM 1060 CG HIS A 576 21.315 1.869 6.039 1.00 0.00 C ATOM 1061 ND1 HIS A 576 21.187 3.237 6.041 1.00 0.00 N ATOM 1062 CD2 HIS A 576 21.275 1.421 7.317 1.00 0.00 C ATOM 1063 CE1 HIS A 576 21.071 3.588 7.311 1.00 0.00 C ATOM 1064 NE2 HIS A 576 21.119 2.521 8.119 1.00 0.00 N ATOM 0 H HIS A 576 19.547 2.854 4.189 1.00 0.00 H new ATOM 0 HA HIS A 576 20.333 0.193 3.165 1.00 0.00 H new ATOM 0 HB2 HIS A 576 21.921 0.129 4.987 1.00 0.00 H new ATOM 0 HB3 HIS A 576 22.147 1.625 4.103 1.00 0.00 H new ATOM 0 HD2 HIS A 576 21.351 0.394 7.641 1.00 0.00 H new ATOM 0 HE1 HIS A 576 20.953 4.606 7.653 1.00 0.00 H new ATOM 0 HE2 HIS A 576 21.052 2.526 9.137 1.00 0.00 H new ATOM 1072 N SER A 577 18.208 0.947 5.473 1.00 0.00 N ATOM 1073 CA SER A 577 17.239 0.444 6.434 1.00 0.00 C ATOM 1074 C SER A 577 16.195 -0.442 5.763 1.00 0.00 C ATOM 1075 O SER A 577 15.870 -1.525 6.253 1.00 0.00 O ATOM 1076 CB SER A 577 16.561 1.626 7.126 1.00 0.00 C ATOM 1077 OG SER A 577 16.100 2.580 6.178 1.00 0.00 O ATOM 0 H SER A 577 18.109 1.939 5.257 1.00 0.00 H new ATOM 0 HA SER A 577 17.763 -0.167 7.169 1.00 0.00 H new ATOM 0 HB2 SER A 577 15.723 1.269 7.724 1.00 0.00 H new ATOM 0 HB3 SER A 577 17.263 2.101 7.812 1.00 0.00 H new ATOM 0 HG SER A 577 15.669 3.325 6.647 1.00 0.00 H new ATOM 1083 N VAL A 578 15.687 0.024 4.637 1.00 0.00 N ATOM 1084 CA VAL A 578 14.671 -0.711 3.903 1.00 0.00 C ATOM 1085 C VAL A 578 15.094 -1.012 2.473 1.00 0.00 C ATOM 1086 O VAL A 578 15.676 -0.173 1.786 1.00 0.00 O ATOM 1087 CB VAL A 578 13.318 0.034 3.913 1.00 0.00 C ATOM 1088 CG1 VAL A 578 12.639 -0.129 5.261 1.00 0.00 C ATOM 1089 CG2 VAL A 578 13.504 1.511 3.602 1.00 0.00 C ATOM 0 H VAL A 578 15.961 0.909 4.210 1.00 0.00 H new ATOM 0 HA VAL A 578 14.549 -1.663 4.419 1.00 0.00 H new ATOM 0 HB VAL A 578 12.688 -0.403 3.138 1.00 0.00 H new ATOM 0 HG11 VAL A 578 11.686 0.401 5.255 1.00 0.00 H new ATOM 0 HG12 VAL A 578 12.464 -1.187 5.455 1.00 0.00 H new ATOM 0 HG13 VAL A 578 13.278 0.282 6.042 1.00 0.00 H new ATOM 0 HG21 VAL A 578 12.535 2.011 3.616 1.00 0.00 H new ATOM 0 HG22 VAL A 578 14.155 1.961 4.351 1.00 0.00 H new ATOM 0 HG23 VAL A 578 13.955 1.621 2.616 1.00 0.00 H new ATOM 1099 N ARG A 579 14.821 -2.237 2.046 1.00 0.00 N ATOM 1100 CA ARG A 579 15.099 -2.674 0.690 1.00 0.00 C ATOM 1101 C ARG A 579 13.773 -2.950 -0.001 1.00 0.00 C ATOM 1102 O ARG A 579 12.729 -2.887 0.641 1.00 0.00 O ATOM 1103 CB ARG A 579 15.965 -3.937 0.696 1.00 0.00 C ATOM 1104 CG ARG A 579 17.138 -3.866 1.661 1.00 0.00 C ATOM 1105 CD ARG A 579 18.127 -2.776 1.275 1.00 0.00 C ATOM 1106 NE ARG A 579 18.895 -3.128 0.080 1.00 0.00 N ATOM 1107 CZ ARG A 579 19.644 -2.271 -0.618 1.00 0.00 C ATOM 1108 NH1 ARG A 579 19.705 -0.988 -0.274 1.00 0.00 N ATOM 1109 NH2 ARG A 579 20.336 -2.700 -1.667 1.00 0.00 N ATOM 0 H ARG A 579 14.399 -2.956 2.634 1.00 0.00 H new ATOM 0 HA ARG A 579 15.648 -1.897 0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 579 15.342 -4.793 0.956 1.00 0.00 H new ATOM 0 HB3 ARG A 579 16.344 -4.113 -0.311 1.00 0.00 H new ATOM 0 HG2 ARG A 579 16.768 -3.679 2.669 1.00 0.00 H new ATOM 0 HG3 ARG A 579 17.649 -4.829 1.682 1.00 0.00 H new ATOM 0 HD2 ARG A 579 17.589 -1.845 1.098 1.00 0.00 H new ATOM 0 HD3 ARG A 579 18.810 -2.597 2.105 1.00 0.00 H new ATOM 0 HE ARG A 579 18.855 -4.095 -0.242 1.00 0.00 H new ATOM 0 HH11 ARG A 579 19.176 -0.650 0.530 1.00 0.00 H new ATOM 0 HH12 ARG A 579 20.280 -0.342 -0.814 1.00 0.00 H new ATOM 0 HH21 ARG A 579 20.295 -3.682 -1.938 1.00 0.00 H new ATOM 0 HH22 ARG A 579 20.909 -2.047 -2.202 1.00 0.00 H new ATOM 1123 N ARG A 580 13.809 -3.270 -1.289 1.00 0.00 N ATOM 1124 CA ARG A 580 12.592 -3.500 -2.071 1.00 0.00 C ATOM 1125 C ARG A 580 11.663 -4.522 -1.409 1.00 0.00 C ATOM 1126 O ARG A 580 10.446 -4.426 -1.537 1.00 0.00 O ATOM 1127 CB ARG A 580 12.924 -3.949 -3.496 1.00 0.00 C ATOM 1128 CG ARG A 580 13.693 -5.255 -3.587 1.00 0.00 C ATOM 1129 CD ARG A 580 15.192 -5.023 -3.630 1.00 0.00 C ATOM 1130 NE ARG A 580 15.943 -6.275 -3.655 1.00 0.00 N ATOM 1131 CZ ARG A 580 17.247 -6.365 -3.399 1.00 0.00 C ATOM 1132 NH1 ARG A 580 17.947 -5.274 -3.113 1.00 0.00 N ATOM 1133 NH2 ARG A 580 17.851 -7.544 -3.432 1.00 0.00 N ATOM 0 H ARG A 580 14.673 -3.378 -1.821 1.00 0.00 H new ATOM 0 HA ARG A 580 12.068 -2.545 -2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 580 11.994 -4.051 -4.056 1.00 0.00 H new ATOM 0 HB3 ARG A 580 13.505 -3.166 -3.983 1.00 0.00 H new ATOM 0 HG2 ARG A 580 13.447 -5.883 -2.731 1.00 0.00 H new ATOM 0 HG3 ARG A 580 13.383 -5.798 -4.480 1.00 0.00 H new ATOM 0 HD2 ARG A 580 15.442 -4.434 -4.512 1.00 0.00 H new ATOM 0 HD3 ARG A 580 15.493 -4.438 -2.761 1.00 0.00 H new ATOM 0 HE ARG A 580 15.439 -7.132 -3.882 1.00 0.00 H new ATOM 0 HH11 ARG A 580 17.486 -4.364 -3.089 1.00 0.00 H new ATOM 0 HH12 ARG A 580 18.945 -5.345 -2.917 1.00 0.00 H new ATOM 0 HH21 ARG A 580 17.317 -8.384 -3.654 1.00 0.00 H new ATOM 0 HH22 ARG A 580 18.850 -7.611 -3.236 1.00 0.00 H new ATOM 1147 N GLU A 581 12.235 -5.500 -0.707 1.00 0.00 N ATOM 1148 CA GLU A 581 11.473 -6.525 0.006 1.00 0.00 C ATOM 1149 C GLU A 581 10.549 -5.966 1.086 1.00 0.00 C ATOM 1150 O GLU A 581 9.508 -6.556 1.374 1.00 0.00 O ATOM 1151 CB GLU A 581 12.451 -7.514 0.627 1.00 0.00 C ATOM 1152 CG GLU A 581 13.457 -6.855 1.556 1.00 0.00 C ATOM 1153 CD GLU A 581 14.673 -7.717 1.792 1.00 0.00 C ATOM 1154 OE1 GLU A 581 15.449 -7.923 0.837 1.00 0.00 O ATOM 1155 OE2 GLU A 581 14.852 -8.212 2.921 1.00 0.00 O ATOM 0 H GLU A 581 13.246 -5.604 -0.616 1.00 0.00 H new ATOM 0 HA GLU A 581 10.824 -7.010 -0.723 1.00 0.00 H new ATOM 0 HB2 GLU A 581 11.893 -8.268 1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 581 12.986 -8.034 -0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 581 13.768 -5.901 1.132 1.00 0.00 H new ATOM 0 HG3 GLU A 581 12.978 -6.638 2.511 1.00 0.00 H new ATOM 1162 N HIS A 582 10.927 -4.842 1.675 1.00 0.00 N ATOM 1163 CA HIS A 582 10.152 -4.238 2.755 1.00 0.00 C ATOM 1164 C HIS A 582 8.901 -3.563 2.204 1.00 0.00 C ATOM 1165 O HIS A 582 8.001 -3.169 2.944 1.00 0.00 O ATOM 1166 CB HIS A 582 11.006 -3.243 3.540 1.00 0.00 C ATOM 1167 CG HIS A 582 12.112 -3.890 4.320 1.00 0.00 C ATOM 1168 ND1 HIS A 582 13.429 -3.693 3.991 1.00 0.00 N ATOM 1169 CD2 HIS A 582 12.045 -4.705 5.403 1.00 0.00 C ATOM 1170 CE1 HIS A 582 14.131 -4.380 4.872 1.00 0.00 C ATOM 1171 NE2 HIS A 582 13.337 -5.013 5.748 1.00 0.00 N ATOM 0 H HIS A 582 11.770 -4.325 1.424 1.00 0.00 H new ATOM 0 HA HIS A 582 9.839 -5.028 3.438 1.00 0.00 H new ATOM 0 HB2 HIS A 582 11.436 -2.519 2.847 1.00 0.00 H new ATOM 0 HB3 HIS A 582 10.365 -2.688 4.225 1.00 0.00 H new ATOM 0 HD2 HIS A 582 11.148 -5.046 5.898 1.00 0.00 H new ATOM 0 HE1 HIS A 582 15.210 -4.427 4.886 1.00 0.00 H new ATOM 0 HE2 HIS A 582 13.636 -5.608 6.521 1.00 0.00 H new ATOM 1179 N PHE A 583 8.863 -3.440 0.892 1.00 0.00 N ATOM 1180 CA PHE A 583 7.762 -2.785 0.213 1.00 0.00 C ATOM 1181 C PHE A 583 6.917 -3.829 -0.501 1.00 0.00 C ATOM 1182 O PHE A 583 7.428 -4.612 -1.301 1.00 0.00 O ATOM 1183 CB PHE A 583 8.281 -1.747 -0.783 1.00 0.00 C ATOM 1184 CG PHE A 583 9.254 -0.771 -0.184 1.00 0.00 C ATOM 1185 CD1 PHE A 583 8.817 0.271 0.610 1.00 0.00 C ATOM 1186 CD2 PHE A 583 10.608 -0.900 -0.420 1.00 0.00 C ATOM 1187 CE1 PHE A 583 9.714 1.165 1.157 1.00 0.00 C ATOM 1188 CE2 PHE A 583 11.513 -0.009 0.122 1.00 0.00 C ATOM 1189 CZ PHE A 583 11.064 1.026 0.912 1.00 0.00 C ATOM 0 H PHE A 583 9.591 -3.789 0.269 1.00 0.00 H new ATOM 0 HA PHE A 583 7.149 -2.266 0.950 1.00 0.00 H new ATOM 0 HB2 PHE A 583 8.762 -2.262 -1.614 1.00 0.00 H new ATOM 0 HB3 PHE A 583 7.435 -1.197 -1.195 1.00 0.00 H new ATOM 0 HD1 PHE A 583 7.761 0.387 0.805 1.00 0.00 H new ATOM 0 HD2 PHE A 583 10.965 -1.710 -1.038 1.00 0.00 H new ATOM 0 HE1 PHE A 583 9.359 1.974 1.778 1.00 0.00 H new ATOM 0 HE2 PHE A 583 12.569 -0.123 -0.073 1.00 0.00 H new ATOM 0 HZ PHE A 583 11.767 1.726 1.338 1.00 0.00 H new ATOM 1199 N SER A 584 5.629 -3.843 -0.216 1.00 0.00 N ATOM 1200 CA SER A 584 4.739 -4.840 -0.780 1.00 0.00 C ATOM 1201 C SER A 584 3.464 -4.157 -1.242 1.00 0.00 C ATOM 1202 O SER A 584 2.904 -3.329 -0.521 1.00 0.00 O ATOM 1203 CB SER A 584 4.424 -5.928 0.253 1.00 0.00 C ATOM 1204 OG SER A 584 3.612 -6.949 -0.304 1.00 0.00 O ATOM 0 H SER A 584 5.174 -3.173 0.405 1.00 0.00 H new ATOM 0 HA SER A 584 5.223 -5.319 -1.631 1.00 0.00 H new ATOM 0 HB2 SER A 584 5.353 -6.361 0.623 1.00 0.00 H new ATOM 0 HB3 SER A 584 3.917 -5.483 1.109 1.00 0.00 H new ATOM 0 HG SER A 584 3.429 -7.629 0.377 1.00 0.00 H new ATOM 1210 N PHE A 585 3.005 -4.495 -2.434 1.00 0.00 N ATOM 1211 CA PHE A 585 1.851 -3.828 -3.010 1.00 0.00 C ATOM 1212 C PHE A 585 0.609 -4.703 -2.959 1.00 0.00 C ATOM 1213 O PHE A 585 -0.472 -4.289 -3.380 1.00 0.00 O ATOM 1214 CB PHE A 585 2.152 -3.394 -4.440 1.00 0.00 C ATOM 1215 CG PHE A 585 3.077 -2.216 -4.504 1.00 0.00 C ATOM 1216 CD1 PHE A 585 2.627 -0.970 -4.125 1.00 0.00 C ATOM 1217 CD2 PHE A 585 4.390 -2.351 -4.925 1.00 0.00 C ATOM 1218 CE1 PHE A 585 3.455 0.126 -4.164 1.00 0.00 C ATOM 1219 CE2 PHE A 585 5.228 -1.252 -4.968 1.00 0.00 C ATOM 1220 CZ PHE A 585 4.756 -0.011 -4.586 1.00 0.00 C ATOM 0 H PHE A 585 3.412 -5.224 -3.020 1.00 0.00 H new ATOM 0 HA PHE A 585 1.644 -2.942 -2.410 1.00 0.00 H new ATOM 0 HB2 PHE A 585 2.595 -4.229 -4.983 1.00 0.00 H new ATOM 0 HB3 PHE A 585 1.218 -3.145 -4.944 1.00 0.00 H new ATOM 0 HD1 PHE A 585 1.606 -0.853 -3.792 1.00 0.00 H new ATOM 0 HD2 PHE A 585 4.761 -3.321 -5.221 1.00 0.00 H new ATOM 0 HE1 PHE A 585 3.084 1.095 -3.863 1.00 0.00 H new ATOM 0 HE2 PHE A 585 6.250 -1.364 -5.300 1.00 0.00 H new ATOM 0 HZ PHE A 585 5.408 0.850 -4.619 1.00 0.00 H new ATOM 1230 N SER A 586 0.767 -5.917 -2.463 1.00 0.00 N ATOM 1231 CA SER A 586 -0.363 -6.798 -2.232 1.00 0.00 C ATOM 1232 C SER A 586 -1.324 -6.188 -1.207 1.00 0.00 C ATOM 1233 O SER A 586 -0.951 -5.965 -0.051 1.00 0.00 O ATOM 1234 CB SER A 586 0.143 -8.152 -1.741 1.00 0.00 C ATOM 1235 OG SER A 586 1.047 -8.719 -2.675 1.00 0.00 O ATOM 0 H SER A 586 1.671 -6.316 -2.212 1.00 0.00 H new ATOM 0 HA SER A 586 -0.906 -6.931 -3.168 1.00 0.00 H new ATOM 0 HB2 SER A 586 0.636 -8.033 -0.776 1.00 0.00 H new ATOM 0 HB3 SER A 586 -0.699 -8.827 -1.587 1.00 0.00 H new ATOM 0 HG SER A 586 1.361 -9.585 -2.342 1.00 0.00 H new ATOM 1241 N PRO A 587 -2.581 -5.916 -1.609 1.00 0.00 N ATOM 1242 CA PRO A 587 -3.587 -5.318 -0.723 1.00 0.00 C ATOM 1243 C PRO A 587 -4.138 -6.326 0.277 1.00 0.00 C ATOM 1244 O PRO A 587 -5.121 -6.066 0.964 1.00 0.00 O ATOM 1245 CB PRO A 587 -4.681 -4.882 -1.690 1.00 0.00 C ATOM 1246 CG PRO A 587 -4.605 -5.889 -2.779 1.00 0.00 C ATOM 1247 CD PRO A 587 -3.134 -6.162 -2.960 1.00 0.00 C ATOM 0 HA PRO A 587 -3.178 -4.507 -0.120 1.00 0.00 H new ATOM 0 HB2 PRO A 587 -5.661 -4.881 -1.213 1.00 0.00 H new ATOM 0 HB3 PRO A 587 -4.507 -3.873 -2.064 1.00 0.00 H new ATOM 0 HG2 PRO A 587 -5.145 -6.798 -2.514 1.00 0.00 H new ATOM 0 HG3 PRO A 587 -5.052 -5.510 -3.698 1.00 0.00 H new ATOM 0 HD2 PRO A 587 -2.951 -7.184 -3.291 1.00 0.00 H new ATOM 0 HD3 PRO A 587 -2.690 -5.501 -3.704 1.00 0.00 H new ATOM 1255 N ARG A 588 -3.489 -7.479 0.356 1.00 0.00 N ATOM 1256 CA ARG A 588 -3.859 -8.514 1.297 1.00 0.00 C ATOM 1257 C ARG A 588 -2.908 -8.462 2.481 1.00 0.00 C ATOM 1258 O ARG A 588 -2.973 -9.280 3.396 1.00 0.00 O ATOM 1259 CB ARG A 588 -3.808 -9.887 0.623 1.00 0.00 C ATOM 1260 CG ARG A 588 -4.564 -9.939 -0.696 1.00 0.00 C ATOM 1261 CD ARG A 588 -4.677 -11.357 -1.229 1.00 0.00 C ATOM 1262 NE ARG A 588 -3.375 -11.993 -1.411 1.00 0.00 N ATOM 1263 CZ ARG A 588 -3.174 -13.075 -2.161 1.00 0.00 C ATOM 1264 NH1 ARG A 588 -4.185 -13.632 -2.820 1.00 0.00 N ATOM 1265 NH2 ARG A 588 -1.959 -13.598 -2.255 1.00 0.00 N ATOM 0 H ARG A 588 -2.691 -7.719 -0.233 1.00 0.00 H new ATOM 0 HA ARG A 588 -4.879 -8.349 1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 588 -2.767 -10.160 0.448 1.00 0.00 H new ATOM 0 HB3 ARG A 588 -4.223 -10.632 1.301 1.00 0.00 H new ATOM 0 HG2 ARG A 588 -5.562 -9.522 -0.559 1.00 0.00 H new ATOM 0 HG3 ARG A 588 -4.056 -9.315 -1.431 1.00 0.00 H new ATOM 0 HD2 ARG A 588 -5.276 -11.953 -0.541 1.00 0.00 H new ATOM 0 HD3 ARG A 588 -5.207 -11.342 -2.182 1.00 0.00 H new ATOM 0 HE ARG A 588 -2.571 -11.584 -0.935 1.00 0.00 H new ATOM 0 HH11 ARG A 588 -5.120 -13.231 -2.753 1.00 0.00 H new ATOM 0 HH12 ARG A 588 -4.025 -14.461 -3.393 1.00 0.00 H new ATOM 0 HH21 ARG A 588 -1.180 -13.172 -1.753 1.00 0.00 H new ATOM 0 HH22 ARG A 588 -1.803 -14.427 -2.829 1.00 0.00 H new ATOM 1279 N MET A 589 -2.012 -7.489 2.426 1.00 0.00 N ATOM 1280 CA MET A 589 -1.081 -7.229 3.510 1.00 0.00 C ATOM 1281 C MET A 589 -1.636 -6.137 4.417 1.00 0.00 C ATOM 1282 O MET A 589 -1.607 -4.957 4.065 1.00 0.00 O ATOM 1283 CB MET A 589 0.280 -6.810 2.946 1.00 0.00 C ATOM 1284 CG MET A 589 1.343 -6.622 4.005 1.00 0.00 C ATOM 1285 SD MET A 589 1.750 -8.147 4.874 1.00 0.00 S ATOM 1286 CE MET A 589 2.490 -9.104 3.552 1.00 0.00 C ATOM 0 H MET A 589 -1.911 -6.859 1.630 1.00 0.00 H new ATOM 0 HA MET A 589 -0.950 -8.140 4.094 1.00 0.00 H new ATOM 0 HB2 MET A 589 0.617 -7.564 2.235 1.00 0.00 H new ATOM 0 HB3 MET A 589 0.163 -5.879 2.391 1.00 0.00 H new ATOM 0 HG2 MET A 589 2.245 -6.224 3.540 1.00 0.00 H new ATOM 0 HG3 MET A 589 1.002 -5.879 4.726 1.00 0.00 H new ATOM 0 HE1 MET A 589 2.937 -10.009 3.964 1.00 0.00 H new ATOM 0 HE2 MET A 589 1.723 -9.376 2.827 1.00 0.00 H new ATOM 0 HE3 MET A 589 3.260 -8.510 3.060 1.00 0.00 H new ATOM 1296 N PRO A 590 -2.157 -6.515 5.590 1.00 0.00 N ATOM 1297 CA PRO A 590 -2.801 -5.579 6.511 1.00 0.00 C ATOM 1298 C PRO A 590 -1.799 -4.814 7.368 1.00 0.00 C ATOM 1299 O PRO A 590 -1.740 -4.991 8.587 1.00 0.00 O ATOM 1300 CB PRO A 590 -3.657 -6.499 7.375 1.00 0.00 C ATOM 1301 CG PRO A 590 -2.901 -7.785 7.423 1.00 0.00 C ATOM 1302 CD PRO A 590 -2.159 -7.895 6.117 1.00 0.00 C ATOM 0 HA PRO A 590 -3.362 -4.804 5.989 1.00 0.00 H new ATOM 0 HB2 PRO A 590 -3.799 -6.086 8.374 1.00 0.00 H new ATOM 0 HB3 PRO A 590 -4.648 -6.638 6.944 1.00 0.00 H new ATOM 0 HG2 PRO A 590 -2.208 -7.796 8.265 1.00 0.00 H new ATOM 0 HG3 PRO A 590 -3.579 -8.628 7.556 1.00 0.00 H new ATOM 0 HD2 PRO A 590 -1.145 -8.268 6.264 1.00 0.00 H new ATOM 0 HD3 PRO A 590 -2.655 -8.583 5.433 1.00 0.00 H new ATOM 1310 N VAL A 591 -1.013 -3.959 6.734 1.00 0.00 N ATOM 1311 CA VAL A 591 0.066 -3.286 7.435 1.00 0.00 C ATOM 1312 C VAL A 591 -0.213 -1.819 7.746 1.00 0.00 C ATOM 1313 O VAL A 591 -0.418 -1.487 8.913 1.00 0.00 O ATOM 1314 CB VAL A 591 1.395 -3.456 6.689 1.00 0.00 C ATOM 1315 CG1 VAL A 591 2.475 -2.583 7.298 1.00 0.00 C ATOM 1316 CG2 VAL A 591 1.797 -4.911 6.752 1.00 0.00 C ATOM 0 H VAL A 591 -1.100 -3.717 5.747 1.00 0.00 H new ATOM 0 HA VAL A 591 0.141 -3.777 8.405 1.00 0.00 H new ATOM 0 HB VAL A 591 1.270 -3.147 5.651 1.00 0.00 H new ATOM 0 HG11 VAL A 591 3.407 -2.722 6.751 1.00 0.00 H new ATOM 0 HG12 VAL A 591 2.173 -1.537 7.240 1.00 0.00 H new ATOM 0 HG13 VAL A 591 2.622 -2.861 8.342 1.00 0.00 H new ATOM 0 HG21 VAL A 591 2.741 -5.051 6.226 1.00 0.00 H new ATOM 0 HG22 VAL A 591 1.914 -5.211 7.793 1.00 0.00 H new ATOM 0 HG23 VAL A 591 1.026 -5.522 6.282 1.00 0.00 H new ATOM 1326 N GLY A 592 -0.224 -0.927 6.754 1.00 0.00 N ATOM 1327 CA GLY A 592 -0.339 0.482 7.060 1.00 0.00 C ATOM 1328 C GLY A 592 -1.773 0.931 7.160 1.00 0.00 C ATOM 1329 O GLY A 592 -2.458 0.631 8.137 1.00 0.00 O ATOM 0 H GLY A 592 -0.156 -1.155 5.762 1.00 0.00 H new ATOM 0 HA2 GLY A 592 0.171 0.690 8.001 1.00 0.00 H new ATOM 0 HA3 GLY A 592 0.168 1.061 6.288 1.00 0.00 H new ATOM 1333 N ASP A 593 -2.236 1.635 6.145 1.00 0.00 N ATOM 1334 CA ASP A 593 -3.568 2.185 6.166 1.00 0.00 C ATOM 1335 C ASP A 593 -4.415 1.582 5.063 1.00 0.00 C ATOM 1336 O ASP A 593 -3.945 1.336 3.960 1.00 0.00 O ATOM 1337 CB ASP A 593 -3.527 3.709 6.036 1.00 0.00 C ATOM 1338 CG ASP A 593 -2.815 4.376 7.197 1.00 0.00 C ATOM 1339 OD1 ASP A 593 -3.458 4.598 8.247 1.00 0.00 O ATOM 1340 OD2 ASP A 593 -1.607 4.678 7.065 1.00 0.00 O ATOM 0 H ASP A 593 -1.706 1.837 5.298 1.00 0.00 H new ATOM 0 HA ASP A 593 -4.022 1.934 7.124 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -3.026 3.977 5.106 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -4.546 4.092 5.971 1.00 0.00 H new ATOM 1345 N PHE A 594 -5.654 1.330 5.402 1.00 0.00 N ATOM 1346 CA PHE A 594 -6.626 0.773 4.465 1.00 0.00 C ATOM 1347 C PHE A 594 -7.833 1.679 4.315 1.00 0.00 C ATOM 1348 O PHE A 594 -8.393 2.150 5.305 1.00 0.00 O ATOM 1349 CB PHE A 594 -7.073 -0.615 4.916 1.00 0.00 C ATOM 1350 CG PHE A 594 -6.169 -1.725 4.461 1.00 0.00 C ATOM 1351 CD1 PHE A 594 -4.883 -1.851 4.961 1.00 0.00 C ATOM 1352 CD2 PHE A 594 -6.616 -2.651 3.533 1.00 0.00 C ATOM 1353 CE1 PHE A 594 -4.061 -2.878 4.542 1.00 0.00 C ATOM 1354 CE2 PHE A 594 -5.799 -3.679 3.109 1.00 0.00 C ATOM 1355 CZ PHE A 594 -4.519 -3.793 3.614 1.00 0.00 C ATOM 0 H PHE A 594 -6.029 1.502 6.335 1.00 0.00 H new ATOM 0 HA PHE A 594 -6.136 0.693 3.495 1.00 0.00 H new ATOM 0 HB2 PHE A 594 -7.132 -0.631 6.004 1.00 0.00 H new ATOM 0 HB3 PHE A 594 -8.079 -0.802 4.540 1.00 0.00 H new ATOM 0 HD1 PHE A 594 -4.520 -1.138 5.686 1.00 0.00 H new ATOM 0 HD2 PHE A 594 -7.617 -2.567 3.136 1.00 0.00 H new ATOM 0 HE1 PHE A 594 -3.061 -2.966 4.939 1.00 0.00 H new ATOM 0 HE2 PHE A 594 -6.160 -4.393 2.384 1.00 0.00 H new ATOM 0 HZ PHE A 594 -3.877 -4.596 3.284 1.00 0.00 H new ATOM 1365 N PHE A 595 -8.224 1.934 3.073 1.00 0.00 N ATOM 1366 CA PHE A 595 -9.377 2.772 2.789 1.00 0.00 C ATOM 1367 C PHE A 595 -10.308 2.082 1.803 1.00 0.00 C ATOM 1368 O PHE A 595 -9.879 1.245 1.012 1.00 0.00 O ATOM 1369 CB PHE A 595 -8.922 4.112 2.200 1.00 0.00 C ATOM 1370 CG PHE A 595 -7.770 4.725 2.939 1.00 0.00 C ATOM 1371 CD1 PHE A 595 -7.985 5.538 4.036 1.00 0.00 C ATOM 1372 CD2 PHE A 595 -6.467 4.467 2.546 1.00 0.00 C ATOM 1373 CE1 PHE A 595 -6.921 6.085 4.725 1.00 0.00 C ATOM 1374 CE2 PHE A 595 -5.405 5.007 3.234 1.00 0.00 C ATOM 1375 CZ PHE A 595 -5.629 5.816 4.322 1.00 0.00 C ATOM 0 H PHE A 595 -7.755 1.569 2.244 1.00 0.00 H new ATOM 0 HA PHE A 595 -9.911 2.946 3.723 1.00 0.00 H new ATOM 0 HB2 PHE A 595 -8.639 3.965 1.158 1.00 0.00 H new ATOM 0 HB3 PHE A 595 -9.761 4.808 2.208 1.00 0.00 H new ATOM 0 HD1 PHE A 595 -8.995 5.747 4.357 1.00 0.00 H new ATOM 0 HD2 PHE A 595 -6.283 3.835 1.690 1.00 0.00 H new ATOM 0 HE1 PHE A 595 -7.100 6.723 5.578 1.00 0.00 H new ATOM 0 HE2 PHE A 595 -4.394 4.795 2.919 1.00 0.00 H new ATOM 0 HZ PHE A 595 -4.795 6.241 4.861 1.00 0.00 H new ATOM 1385 N GLU A 596 -11.573 2.450 1.857 1.00 0.00 N ATOM 1386 CA GLU A 596 -12.554 1.935 0.919 1.00 0.00 C ATOM 1387 C GLU A 596 -13.393 3.088 0.391 1.00 0.00 C ATOM 1388 O GLU A 596 -13.902 3.896 1.171 1.00 0.00 O ATOM 1389 CB GLU A 596 -13.459 0.903 1.596 1.00 0.00 C ATOM 1390 CG GLU A 596 -14.442 0.254 0.635 1.00 0.00 C ATOM 1391 CD GLU A 596 -15.474 -0.613 1.322 1.00 0.00 C ATOM 1392 OE1 GLU A 596 -16.552 -0.094 1.682 1.00 0.00 O ATOM 1393 OE2 GLU A 596 -15.226 -1.819 1.490 1.00 0.00 O ATOM 0 H GLU A 596 -11.948 3.106 2.543 1.00 0.00 H new ATOM 0 HA GLU A 596 -12.034 1.447 0.095 1.00 0.00 H new ATOM 0 HB2 GLU A 596 -12.841 0.130 2.052 1.00 0.00 H new ATOM 0 HB3 GLU A 596 -14.012 1.386 2.402 1.00 0.00 H new ATOM 0 HG2 GLU A 596 -14.952 1.033 0.069 1.00 0.00 H new ATOM 0 HG3 GLU A 596 -13.890 -0.352 -0.083 1.00 0.00 H new ATOM 1400 N GLU A 597 -13.530 3.186 -0.922 1.00 0.00 N ATOM 1401 CA GLU A 597 -14.280 4.265 -1.538 1.00 0.00 C ATOM 1402 C GLU A 597 -15.773 4.030 -1.346 1.00 0.00 C ATOM 1403 O GLU A 597 -16.298 2.972 -1.698 1.00 0.00 O ATOM 1404 CB GLU A 597 -13.947 4.345 -3.031 1.00 0.00 C ATOM 1405 CG GLU A 597 -14.843 5.293 -3.811 1.00 0.00 C ATOM 1406 CD GLU A 597 -14.537 5.301 -5.292 1.00 0.00 C ATOM 1407 OE1 GLU A 597 -15.124 4.474 -6.023 1.00 0.00 O ATOM 1408 OE2 GLU A 597 -13.722 6.135 -5.735 1.00 0.00 O ATOM 0 H GLU A 597 -13.127 2.524 -1.585 1.00 0.00 H new ATOM 0 HA GLU A 597 -14.006 5.208 -1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 597 -12.911 4.663 -3.146 1.00 0.00 H new ATOM 0 HB3 GLU A 597 -14.024 3.348 -3.465 1.00 0.00 H new ATOM 0 HG2 GLU A 597 -15.884 5.008 -3.661 1.00 0.00 H new ATOM 0 HG3 GLU A 597 -14.729 6.302 -3.415 1.00 0.00 H new ATOM 1415 N ARG A 598 -16.447 5.016 -0.778 1.00 0.00 N ATOM 1416 CA ARG A 598 -17.856 4.895 -0.450 1.00 0.00 C ATOM 1417 C ARG A 598 -18.615 6.133 -0.911 1.00 0.00 C ATOM 1418 O ARG A 598 -18.022 7.196 -1.108 1.00 0.00 O ATOM 1419 CB ARG A 598 -18.009 4.706 1.065 1.00 0.00 C ATOM 1420 CG ARG A 598 -19.443 4.563 1.542 1.00 0.00 C ATOM 1421 CD ARG A 598 -19.520 4.453 3.055 1.00 0.00 C ATOM 1422 NE ARG A 598 -20.890 4.246 3.526 1.00 0.00 N ATOM 1423 CZ ARG A 598 -21.231 4.191 4.816 1.00 0.00 C ATOM 1424 NH1 ARG A 598 -20.312 4.372 5.759 1.00 0.00 N ATOM 1425 NH2 ARG A 598 -22.493 3.978 5.163 1.00 0.00 N ATOM 0 H ARG A 598 -16.036 5.917 -0.533 1.00 0.00 H new ATOM 0 HA ARG A 598 -18.274 4.029 -0.964 1.00 0.00 H new ATOM 0 HB2 ARG A 598 -17.450 3.820 1.366 1.00 0.00 H new ATOM 0 HB3 ARG A 598 -17.554 5.557 1.572 1.00 0.00 H new ATOM 0 HG2 ARG A 598 -20.025 5.422 1.209 1.00 0.00 H new ATOM 0 HG3 ARG A 598 -19.891 3.679 1.089 1.00 0.00 H new ATOM 0 HD2 ARG A 598 -18.894 3.626 3.390 1.00 0.00 H new ATOM 0 HD3 ARG A 598 -19.116 5.360 3.504 1.00 0.00 H new ATOM 0 HE ARG A 598 -21.627 4.137 2.829 1.00 0.00 H new ATOM 0 HH11 ARG A 598 -19.343 4.554 5.498 1.00 0.00 H new ATOM 0 HH12 ARG A 598 -20.576 4.329 6.743 1.00 0.00 H new ATOM 0 HH21 ARG A 598 -23.206 3.856 4.444 1.00 0.00 H new ATOM 0 HH22 ARG A 598 -22.751 3.936 6.149 1.00 0.00 H new ATOM 1439 N ASP A 599 -19.922 5.996 -1.077 1.00 0.00 N ATOM 1440 CA ASP A 599 -20.774 7.122 -1.416 1.00 0.00 C ATOM 1441 C ASP A 599 -21.463 7.667 -0.182 1.00 0.00 C ATOM 1442 O ASP A 599 -21.869 6.920 0.709 1.00 0.00 O ATOM 1443 CB ASP A 599 -21.822 6.716 -2.456 1.00 0.00 C ATOM 1444 CG ASP A 599 -22.858 5.758 -1.902 1.00 0.00 C ATOM 1445 OD1 ASP A 599 -22.515 4.581 -1.652 1.00 0.00 O ATOM 1446 OD2 ASP A 599 -24.019 6.179 -1.710 1.00 0.00 O ATOM 0 H ASP A 599 -20.417 5.109 -0.981 1.00 0.00 H new ATOM 0 HA ASP A 599 -20.141 7.902 -1.839 1.00 0.00 H new ATOM 0 HB2 ASP A 599 -22.323 7.610 -2.829 1.00 0.00 H new ATOM 0 HB3 ASP A 599 -21.323 6.252 -3.307 1.00 0.00 H new ATOM 1451 N THR A 600 -21.558 8.977 -0.129 1.00 0.00 N ATOM 1452 CA THR A 600 -22.212 9.665 0.965 1.00 0.00 C ATOM 1453 C THR A 600 -23.141 10.723 0.401 1.00 0.00 C ATOM 1454 O THR A 600 -23.040 11.070 -0.777 1.00 0.00 O ATOM 1455 CB THR A 600 -21.170 10.332 1.887 1.00 0.00 C ATOM 1456 OG1 THR A 600 -20.636 11.496 1.254 1.00 0.00 O ATOM 1457 CG2 THR A 600 -20.037 9.375 2.181 1.00 0.00 C ATOM 0 H THR A 600 -21.183 9.599 -0.845 1.00 0.00 H new ATOM 0 HA THR A 600 -22.780 8.942 1.550 1.00 0.00 H new ATOM 0 HB THR A 600 -21.663 10.608 2.819 1.00 0.00 H new ATOM 0 HG1 THR A 600 -20.020 11.227 0.540 1.00 0.00 H new ATOM 0 HG21 THR A 600 -19.310 9.861 2.832 1.00 0.00 H new ATOM 0 HG22 THR A 600 -20.430 8.486 2.675 1.00 0.00 H new ATOM 0 HG23 THR A 600 -19.552 9.087 1.248 1.00 0.00 H new ATOM 1465 N PRO A 601 -24.062 11.237 1.219 1.00 0.00 N ATOM 1466 CA PRO A 601 -24.971 12.310 0.814 1.00 0.00 C ATOM 1467 C PRO A 601 -24.232 13.593 0.422 1.00 0.00 C ATOM 1468 O PRO A 601 -24.829 14.507 -0.145 1.00 0.00 O ATOM 1469 CB PRO A 601 -25.847 12.530 2.053 1.00 0.00 C ATOM 1470 CG PRO A 601 -25.080 11.939 3.181 1.00 0.00 C ATOM 1471 CD PRO A 601 -24.323 10.790 2.594 1.00 0.00 C ATOM 0 HA PRO A 601 -25.542 12.044 -0.075 1.00 0.00 H new ATOM 0 HB2 PRO A 601 -26.036 13.591 2.218 1.00 0.00 H new ATOM 0 HB3 PRO A 601 -26.817 12.047 1.940 1.00 0.00 H new ATOM 0 HG2 PRO A 601 -24.403 12.671 3.621 1.00 0.00 H new ATOM 0 HG3 PRO A 601 -25.747 11.604 3.976 1.00 0.00 H new ATOM 0 HD2 PRO A 601 -23.399 10.595 3.138 1.00 0.00 H new ATOM 0 HD3 PRO A 601 -24.906 9.869 2.616 1.00 0.00 H new ATOM 1479 N GLU A 602 -22.933 13.656 0.717 1.00 0.00 N ATOM 1480 CA GLU A 602 -22.123 14.797 0.311 1.00 0.00 C ATOM 1481 C GLU A 602 -21.284 14.449 -0.919 1.00 0.00 C ATOM 1482 O GLU A 602 -20.734 15.330 -1.579 1.00 0.00 O ATOM 1483 CB GLU A 602 -21.223 15.262 1.461 1.00 0.00 C ATOM 1484 CG GLU A 602 -19.981 14.412 1.665 1.00 0.00 C ATOM 1485 CD GLU A 602 -19.151 14.870 2.844 1.00 0.00 C ATOM 1486 OE1 GLU A 602 -18.647 16.012 2.817 1.00 0.00 O ATOM 1487 OE2 GLU A 602 -19.013 14.096 3.815 1.00 0.00 O ATOM 0 H GLU A 602 -22.426 12.936 1.231 1.00 0.00 H new ATOM 0 HA GLU A 602 -22.794 15.616 0.051 1.00 0.00 H new ATOM 0 HB2 GLU A 602 -20.918 16.292 1.275 1.00 0.00 H new ATOM 0 HB3 GLU A 602 -21.804 15.264 2.384 1.00 0.00 H new ATOM 0 HG2 GLU A 602 -20.276 13.373 1.815 1.00 0.00 H new ATOM 0 HG3 GLU A 602 -19.371 14.443 0.762 1.00 0.00 H new ATOM 1494 N GLY A 603 -21.191 13.159 -1.213 1.00 0.00 N ATOM 1495 CA GLY A 603 -20.433 12.732 -2.363 1.00 0.00 C ATOM 1496 C GLY A 603 -19.594 11.503 -2.118 1.00 0.00 C ATOM 1497 O GLY A 603 -19.726 10.829 -1.099 1.00 0.00 O ATOM 0 H GLY A 603 -21.625 12.408 -0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 603 -21.120 12.533 -3.186 1.00 0.00 H new ATOM 0 HA3 GLY A 603 -19.783 13.547 -2.681 1.00 0.00 H new ATOM 1501 N LEU A 604 -18.733 11.220 -3.072 1.00 0.00 N ATOM 1502 CA LEU A 604 -17.845 10.076 -3.002 1.00 0.00 C ATOM 1503 C LEU A 604 -16.588 10.426 -2.231 1.00 0.00 C ATOM 1504 O LEU A 604 -15.840 11.333 -2.601 1.00 0.00 O ATOM 1505 CB LEU A 604 -17.494 9.594 -4.408 1.00 0.00 C ATOM 1506 CG LEU A 604 -18.651 8.942 -5.159 1.00 0.00 C ATOM 1507 CD1 LEU A 604 -18.356 8.870 -6.649 1.00 0.00 C ATOM 1508 CD2 LEU A 604 -18.924 7.551 -4.609 1.00 0.00 C ATOM 0 H LEU A 604 -18.628 11.777 -3.920 1.00 0.00 H new ATOM 0 HA LEU A 604 -18.356 9.270 -2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 604 -17.132 10.442 -4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 604 -16.673 8.880 -4.340 1.00 0.00 H new ATOM 0 HG LEU A 604 -19.539 9.557 -5.014 1.00 0.00 H new ATOM 0 HD11 LEU A 604 -19.195 8.401 -7.164 1.00 0.00 H new ATOM 0 HD12 LEU A 604 -18.207 9.877 -7.039 1.00 0.00 H new ATOM 0 HD13 LEU A 604 -17.454 8.280 -6.813 1.00 0.00 H new ATOM 0 HD21 LEU A 604 -19.752 7.100 -5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 604 -18.034 6.933 -4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 604 -19.182 7.622 -3.552 1.00 0.00 H new ATOM 1520 N GLN A 605 -16.366 9.695 -1.162 1.00 0.00 N ATOM 1521 CA GLN A 605 -15.235 9.950 -0.286 1.00 0.00 C ATOM 1522 C GLN A 605 -14.606 8.627 0.110 1.00 0.00 C ATOM 1523 O GLN A 605 -15.288 7.598 0.151 1.00 0.00 O ATOM 1524 CB GLN A 605 -15.668 10.733 0.945 1.00 0.00 C ATOM 1525 CG GLN A 605 -16.522 9.934 1.909 1.00 0.00 C ATOM 1526 CD GLN A 605 -17.275 10.814 2.880 1.00 0.00 C ATOM 1527 OE1 GLN A 605 -17.463 10.458 4.044 1.00 0.00 O ATOM 1528 NE2 GLN A 605 -17.771 11.938 2.394 1.00 0.00 N ATOM 0 H GLN A 605 -16.955 8.914 -0.874 1.00 0.00 H new ATOM 0 HA GLN A 605 -14.499 10.555 -0.816 1.00 0.00 H new ATOM 0 HB2 GLN A 605 -14.781 11.088 1.469 1.00 0.00 H new ATOM 0 HB3 GLN A 605 -16.224 11.615 0.626 1.00 0.00 H new ATOM 0 HG2 GLN A 605 -17.232 9.330 1.345 1.00 0.00 H new ATOM 0 HG3 GLN A 605 -15.888 9.244 2.465 1.00 0.00 H new ATOM 0 HE21 GLN A 605 -17.592 12.197 1.424 1.00 0.00 H new ATOM 0 HE22 GLN A 605 -18.333 12.547 2.989 1.00 0.00 H new ATOM 1537 N TRP A 606 -13.312 8.630 0.371 1.00 0.00 N ATOM 1538 CA TRP A 606 -12.612 7.413 0.722 1.00 0.00 C ATOM 1539 C TRP A 606 -12.671 7.228 2.227 1.00 0.00 C ATOM 1540 O TRP A 606 -12.079 8.003 2.980 1.00 0.00 O ATOM 1541 CB TRP A 606 -11.159 7.467 0.249 1.00 0.00 C ATOM 1542 CG TRP A 606 -11.007 7.169 -1.206 1.00 0.00 C ATOM 1543 CD1 TRP A 606 -11.104 8.043 -2.248 1.00 0.00 C ATOM 1544 CD2 TRP A 606 -10.737 5.892 -1.774 1.00 0.00 C ATOM 1545 NE1 TRP A 606 -10.913 7.377 -3.435 1.00 0.00 N ATOM 1546 CE2 TRP A 606 -10.686 6.052 -3.169 1.00 0.00 C ATOM 1547 CE3 TRP A 606 -10.535 4.628 -1.230 1.00 0.00 C ATOM 1548 CZ2 TRP A 606 -10.440 4.983 -4.029 1.00 0.00 C ATOM 1549 CZ3 TRP A 606 -10.293 3.575 -2.079 1.00 0.00 C ATOM 1550 CH2 TRP A 606 -10.247 3.752 -3.463 1.00 0.00 C ATOM 0 H TRP A 606 -12.725 9.464 0.346 1.00 0.00 H new ATOM 0 HA TRP A 606 -13.091 6.567 0.229 1.00 0.00 H new ATOM 0 HB2 TRP A 606 -10.752 8.457 0.456 1.00 0.00 H new ATOM 0 HB3 TRP A 606 -10.569 6.753 0.824 1.00 0.00 H new ATOM 0 HD1 TRP A 606 -11.301 9.101 -2.155 1.00 0.00 H new ATOM 0 HE1 TRP A 606 -10.936 7.800 -4.363 1.00 0.00 H new ATOM 0 HE3 TRP A 606 -10.568 4.477 -0.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 606 -10.403 5.121 -5.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 606 -10.135 2.589 -1.667 1.00 0.00 H new ATOM 0 HH2 TRP A 606 -10.055 2.901 -4.100 1.00 0.00 H new ATOM 1561 N VAL A 607 -13.401 6.219 2.668 1.00 0.00 N ATOM 1562 CA VAL A 607 -13.570 5.980 4.088 1.00 0.00 C ATOM 1563 C VAL A 607 -12.523 5.000 4.583 1.00 0.00 C ATOM 1564 O VAL A 607 -12.347 3.919 4.022 1.00 0.00 O ATOM 1565 CB VAL A 607 -14.978 5.421 4.396 1.00 0.00 C ATOM 1566 CG1 VAL A 607 -15.214 5.340 5.897 1.00 0.00 C ATOM 1567 CG2 VAL A 607 -16.054 6.264 3.723 1.00 0.00 C ATOM 0 H VAL A 607 -13.885 5.554 2.064 1.00 0.00 H new ATOM 0 HA VAL A 607 -13.452 6.934 4.602 1.00 0.00 H new ATOM 0 HB VAL A 607 -15.036 4.411 3.991 1.00 0.00 H new ATOM 0 HG11 VAL A 607 -16.211 4.944 6.088 1.00 0.00 H new ATOM 0 HG12 VAL A 607 -14.470 4.683 6.347 1.00 0.00 H new ATOM 0 HG13 VAL A 607 -15.130 6.336 6.333 1.00 0.00 H new ATOM 0 HG21 VAL A 607 -17.036 5.852 3.954 1.00 0.00 H new ATOM 0 HG22 VAL A 607 -15.995 7.289 4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 607 -15.901 6.255 2.644 1.00 0.00 H new ATOM 1577 N GLN A 608 -11.823 5.400 5.627 1.00 0.00 N ATOM 1578 CA GLN A 608 -10.744 4.607 6.177 1.00 0.00 C ATOM 1579 C GLN A 608 -11.312 3.411 6.922 1.00 0.00 C ATOM 1580 O GLN A 608 -12.275 3.535 7.679 1.00 0.00 O ATOM 1581 CB GLN A 608 -9.875 5.446 7.113 1.00 0.00 C ATOM 1582 CG GLN A 608 -8.687 4.680 7.667 1.00 0.00 C ATOM 1583 CD GLN A 608 -7.671 5.572 8.344 1.00 0.00 C ATOM 1584 OE1 GLN A 608 -8.007 6.608 8.921 1.00 0.00 O ATOM 1585 NE2 GLN A 608 -6.414 5.174 8.272 1.00 0.00 N ATOM 0 H GLN A 608 -11.986 6.281 6.115 1.00 0.00 H new ATOM 0 HA GLN A 608 -10.119 4.255 5.356 1.00 0.00 H new ATOM 0 HB2 GLN A 608 -9.516 6.324 6.576 1.00 0.00 H new ATOM 0 HB3 GLN A 608 -10.486 5.806 7.941 1.00 0.00 H new ATOM 0 HG2 GLN A 608 -9.042 3.937 8.381 1.00 0.00 H new ATOM 0 HG3 GLN A 608 -8.202 4.137 6.856 1.00 0.00 H new ATOM 0 HE21 GLN A 608 -6.180 4.309 7.784 1.00 0.00 H new ATOM 0 HE22 GLN A 608 -5.677 5.731 8.704 1.00 0.00 H new ATOM 1594 N LEU A 609 -10.719 2.255 6.693 1.00 0.00 N ATOM 1595 CA LEU A 609 -11.163 1.023 7.312 1.00 0.00 C ATOM 1596 C LEU A 609 -10.337 0.800 8.562 1.00 0.00 C ATOM 1597 O LEU A 609 -9.144 1.104 8.565 1.00 0.00 O ATOM 1598 CB LEU A 609 -10.942 -0.151 6.354 1.00 0.00 C ATOM 1599 CG LEU A 609 -11.648 -0.049 5.004 1.00 0.00 C ATOM 1600 CD1 LEU A 609 -11.008 -0.997 4.004 1.00 0.00 C ATOM 1601 CD2 LEU A 609 -13.126 -0.365 5.156 1.00 0.00 C ATOM 0 H LEU A 609 -9.917 2.145 6.073 1.00 0.00 H new ATOM 0 HA LEU A 609 -12.224 1.090 7.554 1.00 0.00 H new ATOM 0 HB2 LEU A 609 -9.872 -0.254 6.176 1.00 0.00 H new ATOM 0 HB3 LEU A 609 -11.272 -1.065 6.847 1.00 0.00 H new ATOM 0 HG LEU A 609 -11.547 0.971 4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 609 -11.520 -0.915 3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 609 -9.957 -0.737 3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 609 -11.087 -2.020 4.371 1.00 0.00 H new ATOM 0 HD21 LEU A 609 -13.616 -0.288 4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 609 -13.244 -1.377 5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 609 -13.580 0.343 5.849 1.00 0.00 H new ATOM 1613 N SER A 610 -10.930 0.287 9.623 1.00 0.00 N ATOM 1614 CA SER A 610 -10.186 -0.068 10.810 1.00 0.00 C ATOM 1615 C SER A 610 -9.574 -1.441 10.609 1.00 0.00 C ATOM 1616 O SER A 610 -9.962 -2.157 9.685 1.00 0.00 O ATOM 1617 CB SER A 610 -11.112 -0.048 12.026 1.00 0.00 C ATOM 1618 OG SER A 610 -11.781 1.201 12.128 1.00 0.00 O ATOM 0 H SER A 610 -11.932 0.107 9.684 1.00 0.00 H new ATOM 0 HA SER A 610 -9.387 0.652 10.986 1.00 0.00 H new ATOM 0 HB2 SER A 610 -11.843 -0.852 11.946 1.00 0.00 H new ATOM 0 HB3 SER A 610 -10.535 -0.232 12.932 1.00 0.00 H new ATOM 0 HG SER A 610 -12.370 1.194 12.911 1.00 0.00 H new ATOM 1624 N ALA A 611 -8.622 -1.808 11.454 1.00 0.00 N ATOM 1625 CA ALA A 611 -7.932 -3.084 11.327 1.00 0.00 C ATOM 1626 C ALA A 611 -8.913 -4.250 11.283 1.00 0.00 C ATOM 1627 O ALA A 611 -8.642 -5.265 10.649 1.00 0.00 O ATOM 1628 CB ALA A 611 -6.940 -3.265 12.464 1.00 0.00 C ATOM 0 H ALA A 611 -8.308 -1.237 12.239 1.00 0.00 H new ATOM 0 HA ALA A 611 -7.388 -3.075 10.383 1.00 0.00 H new ATOM 0 HB1 ALA A 611 -6.432 -4.223 12.355 1.00 0.00 H new ATOM 0 HB2 ALA A 611 -6.205 -2.460 12.437 1.00 0.00 H new ATOM 0 HB3 ALA A 611 -7.470 -3.241 13.416 1.00 0.00 H new ATOM 1634 N GLU A 612 -10.043 -4.100 11.968 1.00 0.00 N ATOM 1635 CA GLU A 612 -11.080 -5.130 11.975 1.00 0.00 C ATOM 1636 C GLU A 612 -11.715 -5.274 10.587 1.00 0.00 C ATOM 1637 O GLU A 612 -12.038 -6.378 10.153 1.00 0.00 O ATOM 1638 CB GLU A 612 -12.173 -4.782 12.990 1.00 0.00 C ATOM 1639 CG GLU A 612 -11.698 -4.761 14.432 1.00 0.00 C ATOM 1640 CD GLU A 612 -11.227 -6.117 14.910 1.00 0.00 C ATOM 1641 OE1 GLU A 612 -12.083 -6.973 15.223 1.00 0.00 O ATOM 1642 OE2 GLU A 612 -10.002 -6.332 14.984 1.00 0.00 O ATOM 0 H GLU A 612 -10.265 -3.275 12.526 1.00 0.00 H new ATOM 0 HA GLU A 612 -10.609 -6.073 12.253 1.00 0.00 H new ATOM 0 HB2 GLU A 612 -12.587 -3.805 12.741 1.00 0.00 H new ATOM 0 HB3 GLU A 612 -12.984 -5.505 12.897 1.00 0.00 H new ATOM 0 HG2 GLU A 612 -10.885 -4.042 14.532 1.00 0.00 H new ATOM 0 HG3 GLU A 612 -12.509 -4.416 15.073 1.00 0.00 H new ATOM 1649 N GLU A 613 -11.887 -4.148 9.900 1.00 0.00 N ATOM 1650 CA GLU A 613 -12.562 -4.119 8.605 1.00 0.00 C ATOM 1651 C GLU A 613 -11.611 -4.508 7.481 1.00 0.00 C ATOM 1652 O GLU A 613 -12.041 -5.004 6.436 1.00 0.00 O ATOM 1653 CB GLU A 613 -13.121 -2.724 8.338 1.00 0.00 C ATOM 1654 CG GLU A 613 -14.042 -2.221 9.433 1.00 0.00 C ATOM 1655 CD GLU A 613 -14.528 -0.811 9.183 1.00 0.00 C ATOM 1656 OE1 GLU A 613 -13.693 0.117 9.176 1.00 0.00 O ATOM 1657 OE2 GLU A 613 -15.750 -0.622 9.005 1.00 0.00 O ATOM 0 H GLU A 613 -11.565 -3.235 10.222 1.00 0.00 H new ATOM 0 HA GLU A 613 -13.377 -4.842 8.635 1.00 0.00 H new ATOM 0 HB2 GLU A 613 -12.292 -2.025 8.222 1.00 0.00 H new ATOM 0 HB3 GLU A 613 -13.664 -2.734 7.393 1.00 0.00 H new ATOM 0 HG2 GLU A 613 -14.900 -2.888 9.515 1.00 0.00 H new ATOM 0 HG3 GLU A 613 -13.518 -2.257 10.388 1.00 0.00 H new ATOM 1664 N ILE A 614 -10.325 -4.259 7.706 1.00 0.00 N ATOM 1665 CA ILE A 614 -9.278 -4.534 6.718 1.00 0.00 C ATOM 1666 C ILE A 614 -9.389 -5.934 6.083 1.00 0.00 C ATOM 1667 O ILE A 614 -9.555 -6.041 4.867 1.00 0.00 O ATOM 1668 CB ILE A 614 -7.874 -4.365 7.349 1.00 0.00 C ATOM 1669 CG1 ILE A 614 -7.578 -2.886 7.604 1.00 0.00 C ATOM 1670 CG2 ILE A 614 -6.804 -4.997 6.474 1.00 0.00 C ATOM 1671 CD1 ILE A 614 -6.186 -2.624 8.142 1.00 0.00 C ATOM 0 H ILE A 614 -9.975 -3.861 8.577 1.00 0.00 H new ATOM 0 HA ILE A 614 -9.421 -3.805 5.920 1.00 0.00 H new ATOM 0 HB ILE A 614 -7.863 -4.884 8.308 1.00 0.00 H new ATOM 0 HG12 ILE A 614 -7.707 -2.334 6.673 1.00 0.00 H new ATOM 0 HG13 ILE A 614 -8.310 -2.495 8.311 1.00 0.00 H new ATOM 0 HG21 ILE A 614 -5.828 -4.864 6.940 1.00 0.00 H new ATOM 0 HG22 ILE A 614 -7.010 -6.061 6.359 1.00 0.00 H new ATOM 0 HG23 ILE A 614 -6.806 -4.519 5.494 1.00 0.00 H new ATOM 0 HD11 ILE A 614 -6.051 -1.554 8.297 1.00 0.00 H new ATOM 0 HD12 ILE A 614 -6.058 -3.147 9.090 1.00 0.00 H new ATOM 0 HD13 ILE A 614 -5.446 -2.983 7.427 1.00 0.00 H new ATOM 1683 N PRO A 615 -9.340 -7.023 6.879 1.00 0.00 N ATOM 1684 CA PRO A 615 -9.357 -8.389 6.340 1.00 0.00 C ATOM 1685 C PRO A 615 -10.661 -8.712 5.629 1.00 0.00 C ATOM 1686 O PRO A 615 -10.689 -9.519 4.701 1.00 0.00 O ATOM 1687 CB PRO A 615 -9.190 -9.274 7.574 1.00 0.00 C ATOM 1688 CG PRO A 615 -9.629 -8.423 8.709 1.00 0.00 C ATOM 1689 CD PRO A 615 -9.251 -7.024 8.346 1.00 0.00 C ATOM 0 HA PRO A 615 -8.578 -8.535 5.592 1.00 0.00 H new ATOM 0 HB2 PRO A 615 -9.796 -10.177 7.499 1.00 0.00 H new ATOM 0 HB3 PRO A 615 -8.155 -9.593 7.695 1.00 0.00 H new ATOM 0 HG2 PRO A 615 -10.704 -8.508 8.867 1.00 0.00 H new ATOM 0 HG3 PRO A 615 -9.145 -8.730 9.636 1.00 0.00 H new ATOM 0 HD2 PRO A 615 -9.928 -6.295 8.791 1.00 0.00 H new ATOM 0 HD3 PRO A 615 -8.246 -6.776 8.689 1.00 0.00 H new ATOM 1697 N SER A 616 -11.733 -8.052 6.045 1.00 0.00 N ATOM 1698 CA SER A 616 -13.038 -8.260 5.443 1.00 0.00 C ATOM 1699 C SER A 616 -13.016 -7.789 3.992 1.00 0.00 C ATOM 1700 O SER A 616 -13.570 -8.434 3.102 1.00 0.00 O ATOM 1701 CB SER A 616 -14.104 -7.505 6.244 1.00 0.00 C ATOM 1702 OG SER A 616 -15.400 -7.706 5.714 1.00 0.00 O ATOM 0 H SER A 616 -11.722 -7.366 6.800 1.00 0.00 H new ATOM 0 HA SER A 616 -13.282 -9.322 5.458 1.00 0.00 H new ATOM 0 HB2 SER A 616 -14.081 -7.836 7.282 1.00 0.00 H new ATOM 0 HB3 SER A 616 -13.872 -6.440 6.244 1.00 0.00 H new ATOM 0 HG SER A 616 -16.053 -7.211 6.251 1.00 0.00 H new ATOM 1708 N ARG A 617 -12.342 -6.671 3.761 1.00 0.00 N ATOM 1709 CA ARG A 617 -12.162 -6.146 2.416 1.00 0.00 C ATOM 1710 C ARG A 617 -11.171 -6.996 1.636 1.00 0.00 C ATOM 1711 O ARG A 617 -11.363 -7.253 0.446 1.00 0.00 O ATOM 1712 CB ARG A 617 -11.705 -4.690 2.457 1.00 0.00 C ATOM 1713 CG ARG A 617 -12.850 -3.692 2.523 1.00 0.00 C ATOM 1714 CD ARG A 617 -13.680 -3.845 3.789 1.00 0.00 C ATOM 1715 NE ARG A 617 -14.829 -2.944 3.784 1.00 0.00 N ATOM 1716 CZ ARG A 617 -15.681 -2.796 4.796 1.00 0.00 C ATOM 1717 NH1 ARG A 617 -15.533 -3.505 5.908 1.00 0.00 N ATOM 1718 NH2 ARG A 617 -16.689 -1.940 4.690 1.00 0.00 N ATOM 0 H ARG A 617 -11.909 -6.108 4.493 1.00 0.00 H new ATOM 0 HA ARG A 617 -13.124 -6.186 1.906 1.00 0.00 H new ATOM 0 HB2 ARG A 617 -11.058 -4.546 3.323 1.00 0.00 H new ATOM 0 HB3 ARG A 617 -11.104 -4.482 1.572 1.00 0.00 H new ATOM 0 HG2 ARG A 617 -12.449 -2.680 2.475 1.00 0.00 H new ATOM 0 HG3 ARG A 617 -13.493 -3.822 1.652 1.00 0.00 H new ATOM 0 HD2 ARG A 617 -14.024 -4.875 3.878 1.00 0.00 H new ATOM 0 HD3 ARG A 617 -13.058 -3.640 4.661 1.00 0.00 H new ATOM 0 HE ARG A 617 -14.990 -2.388 2.944 1.00 0.00 H new ATOM 0 HH11 ARG A 617 -14.763 -4.168 5.991 1.00 0.00 H new ATOM 0 HH12 ARG A 617 -16.190 -3.387 6.680 1.00 0.00 H new ATOM 0 HH21 ARG A 617 -16.810 -1.397 3.835 1.00 0.00 H new ATOM 0 HH22 ARG A 617 -17.343 -1.824 5.464 1.00 0.00 H new ATOM 1732 N ILE A 618 -10.121 -7.441 2.320 1.00 0.00 N ATOM 1733 CA ILE A 618 -9.107 -8.292 1.710 1.00 0.00 C ATOM 1734 C ILE A 618 -9.732 -9.555 1.126 1.00 0.00 C ATOM 1735 O ILE A 618 -9.333 -10.019 0.066 1.00 0.00 O ATOM 1736 CB ILE A 618 -8.015 -8.693 2.723 1.00 0.00 C ATOM 1737 CG1 ILE A 618 -7.264 -7.455 3.218 1.00 0.00 C ATOM 1738 CG2 ILE A 618 -7.052 -9.693 2.103 1.00 0.00 C ATOM 1739 CD1 ILE A 618 -6.148 -7.767 4.193 1.00 0.00 C ATOM 0 H ILE A 618 -9.951 -7.224 3.302 1.00 0.00 H new ATOM 0 HA ILE A 618 -8.648 -7.710 0.911 1.00 0.00 H new ATOM 0 HB ILE A 618 -8.495 -9.168 3.578 1.00 0.00 H new ATOM 0 HG12 ILE A 618 -6.848 -6.927 2.360 1.00 0.00 H new ATOM 0 HG13 ILE A 618 -7.973 -6.778 3.696 1.00 0.00 H new ATOM 0 HG21 ILE A 618 -6.289 -9.964 2.833 1.00 0.00 H new ATOM 0 HG22 ILE A 618 -7.599 -10.586 1.802 1.00 0.00 H new ATOM 0 HG23 ILE A 618 -6.577 -9.247 1.230 1.00 0.00 H new ATOM 0 HD11 ILE A 618 -5.662 -6.840 4.499 1.00 0.00 H new ATOM 0 HD12 ILE A 618 -6.560 -8.267 5.069 1.00 0.00 H new ATOM 0 HD13 ILE A 618 -5.417 -8.418 3.713 1.00 0.00 H new ATOM 1751 N GLN A 619 -10.717 -10.099 1.823 1.00 0.00 N ATOM 1752 CA GLN A 619 -11.413 -11.299 1.372 1.00 0.00 C ATOM 1753 C GLN A 619 -12.078 -11.096 0.015 1.00 0.00 C ATOM 1754 O GLN A 619 -12.129 -12.014 -0.798 1.00 0.00 O ATOM 1755 CB GLN A 619 -12.434 -11.734 2.413 1.00 0.00 C ATOM 1756 CG GLN A 619 -11.787 -12.203 3.700 1.00 0.00 C ATOM 1757 CD GLN A 619 -11.005 -13.488 3.524 1.00 0.00 C ATOM 1758 OE1 GLN A 619 -11.550 -14.582 3.649 1.00 0.00 O ATOM 1759 NE2 GLN A 619 -9.719 -13.364 3.245 1.00 0.00 N ATOM 0 H GLN A 619 -11.056 -9.727 2.710 1.00 0.00 H new ATOM 0 HA GLN A 619 -10.671 -12.088 1.250 1.00 0.00 H new ATOM 0 HB2 GLN A 619 -13.104 -10.902 2.629 1.00 0.00 H new ATOM 0 HB3 GLN A 619 -13.045 -12.538 2.004 1.00 0.00 H new ATOM 0 HG2 GLN A 619 -11.121 -11.425 4.072 1.00 0.00 H new ATOM 0 HG3 GLN A 619 -12.557 -12.352 4.457 1.00 0.00 H new ATOM 0 HE21 GLN A 619 -9.305 -12.437 3.149 1.00 0.00 H new ATOM 0 HE22 GLN A 619 -9.141 -14.196 3.125 1.00 0.00 H new ATOM 1768 N ALA A 620 -12.579 -9.898 -0.238 1.00 0.00 N ATOM 1769 CA ALA A 620 -13.236 -9.606 -1.504 1.00 0.00 C ATOM 1770 C ALA A 620 -12.209 -9.366 -2.608 1.00 0.00 C ATOM 1771 O ALA A 620 -12.341 -9.876 -3.721 1.00 0.00 O ATOM 1772 CB ALA A 620 -14.148 -8.398 -1.349 1.00 0.00 C ATOM 0 H ALA A 620 -12.544 -9.114 0.413 1.00 0.00 H new ATOM 0 HA ALA A 620 -13.839 -10.468 -1.789 1.00 0.00 H new ATOM 0 HB1 ALA A 620 -14.636 -8.186 -2.300 1.00 0.00 H new ATOM 0 HB2 ALA A 620 -14.904 -8.608 -0.592 1.00 0.00 H new ATOM 0 HB3 ALA A 620 -13.558 -7.534 -1.043 1.00 0.00 H new ATOM 1778 N ILE A 621 -11.177 -8.600 -2.282 1.00 0.00 N ATOM 1779 CA ILE A 621 -10.147 -8.236 -3.253 1.00 0.00 C ATOM 1780 C ILE A 621 -9.068 -9.307 -3.375 1.00 0.00 C ATOM 1781 O ILE A 621 -8.135 -9.169 -4.166 1.00 0.00 O ATOM 1782 CB ILE A 621 -9.473 -6.903 -2.881 1.00 0.00 C ATOM 1783 CG1 ILE A 621 -8.832 -6.994 -1.496 1.00 0.00 C ATOM 1784 CG2 ILE A 621 -10.482 -5.770 -2.924 1.00 0.00 C ATOM 1785 CD1 ILE A 621 -8.082 -5.746 -1.100 1.00 0.00 C ATOM 0 H ILE A 621 -11.028 -8.216 -1.349 1.00 0.00 H new ATOM 0 HA ILE A 621 -10.658 -8.137 -4.211 1.00 0.00 H new ATOM 0 HB ILE A 621 -8.689 -6.698 -3.610 1.00 0.00 H new ATOM 0 HG12 ILE A 621 -9.608 -7.193 -0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 621 -8.148 -7.842 -1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 621 -9.990 -4.834 -2.659 1.00 0.00 H new ATOM 0 HG22 ILE A 621 -10.896 -5.690 -3.929 1.00 0.00 H new ATOM 0 HG23 ILE A 621 -11.285 -5.971 -2.215 1.00 0.00 H new ATOM 0 HD11 ILE A 621 -7.653 -5.879 -0.107 1.00 0.00 H new ATOM 0 HD12 ILE A 621 -7.284 -5.558 -1.818 1.00 0.00 H new ATOM 0 HD13 ILE A 621 -8.767 -4.898 -1.088 1.00 0.00 H new