USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 424 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: P 232 TYR OH : rot -148:sc= -0.888! USER MOD Set 1.2: W 550 HIS : no HE2:sc= -1.74 K(o=-2.6,f=-1.8) USER MOD Set 2.1: W 545 THR OG1 : rot 180:sc= 0.35 USER MOD Set 2.2: W 566 SER OG : rot 137:sc= 0.321 USER MOD Single : P 227 THR OG1 : rot -16:sc= 0.639 USER MOD Single : P 231 SER OG : rot 180:sc= -0.38 USER MOD Single : P 237 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.58) USER MOD Single : W 525 SER OG : rot 180:sc= 0 USER MOD Single : W 536 SER OG : rot 180:sc= 0 USER MOD Single : W 537 MET CE :methyl 154:sc= -0.101 (180deg=-1.58) USER MOD Single : W 538 GLN : amide:sc= -0.212 K(o=-0.21,f=-0.97) USER MOD Single : W 542 ASN : amide:sc= -1.82! K(o=-1.8!,f=-2.4) USER MOD Single : W 552 SER OG : rot 180:sc= 0 USER MOD Single : W 555 THR OG1 : rot -155:sc= -4.34! USER MOD Single : W 556 THR OG1 : rot 180:sc= -0.179 USER MOD Single : W 562 ASN : amide:sc= -0.922 X(o=-0.92,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY W 521 -18.287 13.254 -6.939 1.00 99.99 N ATOM 2 CA GLY W 521 -18.211 13.638 -8.334 1.00 0.00 C ATOM 3 C GLY W 521 -16.946 14.437 -8.587 1.00 0.00 C ATOM 4 O GLY W 521 -16.197 14.137 -9.517 1.00 0.00 O ATOM 0 HA2 GLY W 521 -18.221 12.749 -8.965 1.00 0.00 H new ATOM 0 HA3 GLY W 521 -19.085 14.231 -8.604 1.00 0.00 H new ATOM 10 N PRO W 522 -16.678 15.468 -7.768 1.00 0.00 N ATOM 11 CA PRO W 522 -15.487 16.306 -7.919 1.00 0.00 C ATOM 12 C PRO W 522 -14.219 15.595 -7.459 1.00 0.00 C ATOM 13 O PRO W 522 -13.135 15.829 -7.992 1.00 0.00 O ATOM 14 CB PRO W 522 -15.786 17.502 -7.016 1.00 0.00 C ATOM 15 CG PRO W 522 -16.681 16.955 -5.960 1.00 0.00 C ATOM 16 CD PRO W 522 -17.515 15.896 -6.632 1.00 0.00 C ATOM 0 HA PRO W 522 -15.302 16.573 -8.959 1.00 0.00 H new ATOM 0 HB2 PRO W 522 -14.872 17.915 -6.588 1.00 0.00 H new ATOM 0 HB3 PRO W 522 -16.270 18.306 -7.570 1.00 0.00 H new ATOM 0 HG2 PRO W 522 -16.103 16.533 -5.138 1.00 0.00 H new ATOM 0 HG3 PRO W 522 -17.311 17.738 -5.538 1.00 0.00 H new ATOM 0 HD2 PRO W 522 -17.731 15.067 -5.958 1.00 0.00 H new ATOM 0 HD3 PRO W 522 -18.474 16.292 -6.967 1.00 0.00 H new ATOM 24 N LEU W 523 -14.363 14.727 -6.462 1.00 0.00 N ATOM 25 CA LEU W 523 -13.229 13.983 -5.928 1.00 0.00 C ATOM 26 C LEU W 523 -13.695 12.720 -5.208 1.00 0.00 C ATOM 27 O LEU W 523 -13.282 12.448 -4.081 1.00 0.00 O ATOM 28 CB LEU W 523 -12.420 14.864 -4.973 1.00 0.00 C ATOM 29 CG LEU W 523 -10.913 14.889 -5.234 1.00 0.00 C ATOM 30 CD1 LEU W 523 -10.408 16.321 -5.302 1.00 0.00 C ATOM 31 CD2 LEU W 523 -10.174 14.110 -4.157 1.00 0.00 C ATOM 0 H LEU W 523 -15.253 14.522 -6.008 1.00 0.00 H new ATOM 0 HA LEU W 523 -12.594 13.687 -6.763 1.00 0.00 H new ATOM 0 HB2 LEU W 523 -12.801 15.884 -5.033 1.00 0.00 H new ATOM 0 HB3 LEU W 523 -12.591 14.520 -3.953 1.00 0.00 H new ATOM 0 HG LEU W 523 -10.721 14.412 -6.195 1.00 0.00 H new ATOM 0 HD11 LEU W 523 -9.334 16.320 -5.488 1.00 0.00 H new ATOM 0 HD12 LEU W 523 -10.916 16.848 -6.110 1.00 0.00 H new ATOM 0 HD13 LEU W 523 -10.612 16.824 -4.357 1.00 0.00 H new ATOM 0 HD21 LEU W 523 -9.103 14.138 -4.358 1.00 0.00 H new ATOM 0 HD22 LEU W 523 -10.372 14.558 -3.183 1.00 0.00 H new ATOM 0 HD23 LEU W 523 -10.516 13.075 -4.157 1.00 0.00 H new ATOM 43 N GLY W 524 -14.555 11.952 -5.866 1.00 0.00 N ATOM 44 CA GLY W 524 -15.060 10.727 -5.272 1.00 0.00 C ATOM 45 C GLY W 524 -14.182 9.530 -5.577 1.00 0.00 C ATOM 46 O GLY W 524 -14.400 8.827 -6.563 1.00 0.00 O ATOM 0 H GLY W 524 -14.912 12.155 -6.800 1.00 0.00 H new ATOM 0 HA2 GLY W 524 -15.133 10.854 -4.192 1.00 0.00 H new ATOM 0 HA3 GLY W 524 -16.068 10.537 -5.640 1.00 0.00 H new ATOM 50 N SER W 525 -13.185 9.296 -4.729 1.00 0.00 N ATOM 51 CA SER W 525 -12.272 8.174 -4.913 1.00 0.00 C ATOM 52 C SER W 525 -12.581 7.053 -3.927 1.00 0.00 C ATOM 53 O SER W 525 -12.371 5.876 -4.223 1.00 0.00 O ATOM 54 CB SER W 525 -10.821 8.633 -4.744 1.00 0.00 C ATOM 55 OG SER W 525 -10.612 9.203 -3.465 1.00 0.00 O ATOM 0 H SER W 525 -12.989 9.869 -3.908 1.00 0.00 H new ATOM 0 HA SER W 525 -12.408 7.792 -5.925 1.00 0.00 H new ATOM 0 HB2 SER W 525 -10.150 7.785 -4.882 1.00 0.00 H new ATOM 0 HB3 SER W 525 -10.575 9.363 -5.515 1.00 0.00 H new ATOM 0 HG SER W 525 -9.678 9.486 -3.382 1.00 0.00 H new ATOM 61 N GLY W 526 -13.083 7.426 -2.755 1.00 0.00 N ATOM 62 CA GLY W 526 -13.415 6.440 -1.743 1.00 0.00 C ATOM 63 C GLY W 526 -12.642 6.646 -0.455 1.00 0.00 C ATOM 64 O GLY W 526 -11.544 7.202 -0.463 1.00 0.00 O ATOM 0 H GLY W 526 -13.266 8.393 -2.488 1.00 0.00 H new ATOM 0 HA2 GLY W 526 -14.484 6.486 -1.533 1.00 0.00 H new ATOM 0 HA3 GLY W 526 -13.209 5.442 -2.131 1.00 0.00 H new ATOM 68 N GLU W 527 -13.218 6.196 0.655 1.00 0.00 N ATOM 69 CA GLU W 527 -12.579 6.333 1.958 1.00 0.00 C ATOM 70 C GLU W 527 -11.596 5.193 2.208 1.00 0.00 C ATOM 71 O GLU W 527 -11.927 4.211 2.872 1.00 0.00 O ATOM 72 CB GLU W 527 -13.634 6.362 3.065 1.00 0.00 C ATOM 73 CG GLU W 527 -14.474 7.628 3.072 1.00 0.00 C ATOM 74 CD GLU W 527 -13.691 8.843 3.528 1.00 0.00 C ATOM 75 OE1 GLU W 527 -12.833 8.695 4.423 1.00 0.00 O ATOM 76 OE2 GLU W 527 -13.936 9.943 2.989 1.00 0.00 O ATOM 0 H GLU W 527 -14.127 5.733 0.678 1.00 0.00 H new ATOM 0 HA GLU W 527 -12.026 7.272 1.965 1.00 0.00 H new ATOM 0 HB2 GLU W 527 -14.292 5.500 2.951 1.00 0.00 H new ATOM 0 HB3 GLU W 527 -13.138 6.259 4.030 1.00 0.00 H new ATOM 0 HG2 GLU W 527 -14.864 7.807 2.070 1.00 0.00 H new ATOM 0 HG3 GLU W 527 -15.333 7.486 3.728 1.00 0.00 H new ATOM 83 N GLU W 528 -10.387 5.332 1.674 1.00 0.00 N ATOM 84 CA GLU W 528 -9.357 4.313 1.841 1.00 0.00 C ATOM 85 C GLU W 528 -9.709 3.050 1.064 1.00 0.00 C ATOM 86 O GLU W 528 -10.368 2.151 1.586 1.00 0.00 O ATOM 87 CB GLU W 528 -9.178 3.978 3.322 1.00 0.00 C ATOM 88 CG GLU W 528 -7.736 3.697 3.713 1.00 0.00 C ATOM 89 CD GLU W 528 -7.576 2.377 4.441 1.00 0.00 C ATOM 90 OE1 GLU W 528 -8.577 1.886 5.005 1.00 0.00 O ATOM 91 OE2 GLU W 528 -6.452 1.834 4.447 1.00 0.00 O ATOM 0 H GLU W 528 -10.097 6.139 1.122 1.00 0.00 H new ATOM 0 HA GLU W 528 -8.421 4.711 1.448 1.00 0.00 H new ATOM 0 HB2 GLU W 528 -9.553 4.808 3.921 1.00 0.00 H new ATOM 0 HB3 GLU W 528 -9.788 3.108 3.565 1.00 0.00 H new ATOM 0 HG2 GLU W 528 -7.115 3.691 2.817 1.00 0.00 H new ATOM 0 HG3 GLU W 528 -7.372 4.504 4.348 1.00 0.00 H new ATOM 98 N GLU W 529 -9.266 2.986 -0.188 1.00 0.00 N ATOM 99 CA GLU W 529 -9.537 1.831 -1.034 1.00 0.00 C ATOM 100 C GLU W 529 -8.627 0.659 -0.660 1.00 0.00 C ATOM 101 O GLU W 529 -7.429 0.841 -0.442 1.00 0.00 O ATOM 102 CB GLU W 529 -9.345 2.198 -2.506 1.00 0.00 C ATOM 103 CG GLU W 529 -9.536 1.028 -3.457 1.00 0.00 C ATOM 104 CD GLU W 529 -10.928 0.987 -4.057 1.00 0.00 C ATOM 105 OE1 GLU W 529 -11.817 0.348 -3.455 1.00 0.00 O ATOM 106 OE2 GLU W 529 -11.130 1.596 -5.130 1.00 0.00 O ATOM 0 H GLU W 529 -8.719 3.720 -0.638 1.00 0.00 H new ATOM 0 HA GLU W 529 -10.572 1.526 -0.877 1.00 0.00 H new ATOM 0 HB2 GLU W 529 -10.049 2.987 -2.769 1.00 0.00 H new ATOM 0 HB3 GLU W 529 -8.343 2.606 -2.642 1.00 0.00 H new ATOM 0 HG2 GLU W 529 -8.800 1.092 -4.259 1.00 0.00 H new ATOM 0 HG3 GLU W 529 -9.346 0.096 -2.924 1.00 0.00 H new ATOM 113 N PRO W 530 -9.184 -0.563 -0.572 1.00 0.00 N ATOM 114 CA PRO W 530 -8.412 -1.760 -0.215 1.00 0.00 C ATOM 115 C PRO W 530 -7.229 -1.995 -1.149 1.00 0.00 C ATOM 116 O PRO W 530 -7.257 -1.605 -2.316 1.00 0.00 O ATOM 117 CB PRO W 530 -9.427 -2.900 -0.349 1.00 0.00 C ATOM 118 CG PRO W 530 -10.759 -2.247 -0.219 1.00 0.00 C ATOM 119 CD PRO W 530 -10.605 -0.873 -0.807 1.00 0.00 C ATOM 0 HA PRO W 530 -7.976 -1.672 0.780 1.00 0.00 H new ATOM 0 HB2 PRO W 530 -9.328 -3.406 -1.309 1.00 0.00 H new ATOM 0 HB3 PRO W 530 -9.279 -3.653 0.425 1.00 0.00 H new ATOM 0 HG2 PRO W 530 -11.525 -2.814 -0.748 1.00 0.00 H new ATOM 0 HG3 PRO W 530 -11.067 -2.192 0.825 1.00 0.00 H new ATOM 0 HD2 PRO W 530 -10.850 -0.860 -1.869 1.00 0.00 H new ATOM 0 HD3 PRO W 530 -11.260 -0.151 -0.320 1.00 0.00 H new ATOM 127 N LEU W 531 -6.191 -2.641 -0.625 1.00 0.00 N ATOM 128 CA LEU W 531 -4.996 -2.938 -1.409 1.00 0.00 C ATOM 129 C LEU W 531 -5.220 -4.171 -2.278 1.00 0.00 C ATOM 130 O LEU W 531 -5.923 -5.101 -1.881 1.00 0.00 O ATOM 131 CB LEU W 531 -3.794 -3.156 -0.483 1.00 0.00 C ATOM 132 CG LEU W 531 -3.358 -1.922 0.308 1.00 0.00 C ATOM 133 CD1 LEU W 531 -2.895 -0.823 -0.635 1.00 0.00 C ATOM 134 CD2 LEU W 531 -4.491 -1.426 1.193 1.00 0.00 C ATOM 0 H LEU W 531 -6.153 -2.969 0.340 1.00 0.00 H new ATOM 0 HA LEU W 531 -4.790 -2.088 -2.059 1.00 0.00 H new ATOM 0 HB2 LEU W 531 -4.035 -3.953 0.220 1.00 0.00 H new ATOM 0 HB3 LEU W 531 -2.951 -3.503 -1.081 1.00 0.00 H new ATOM 0 HG LEU W 531 -2.521 -2.201 0.949 1.00 0.00 H new ATOM 0 HD11 LEU W 531 -2.588 0.048 -0.056 1.00 0.00 H new ATOM 0 HD12 LEU W 531 -2.052 -1.182 -1.225 1.00 0.00 H new ATOM 0 HD13 LEU W 531 -3.713 -0.546 -1.301 1.00 0.00 H new ATOM 0 HD21 LEU W 531 -4.161 -0.548 1.748 1.00 0.00 H new ATOM 0 HD22 LEU W 531 -5.348 -1.163 0.573 1.00 0.00 H new ATOM 0 HD23 LEU W 531 -4.776 -2.211 1.893 1.00 0.00 H new ATOM 146 N PRO W 532 -4.631 -4.193 -3.485 1.00 0.00 N ATOM 147 CA PRO W 532 -4.778 -5.316 -4.415 1.00 0.00 C ATOM 148 C PRO W 532 -4.523 -6.671 -3.753 1.00 0.00 C ATOM 149 O PRO W 532 -4.275 -6.750 -2.550 1.00 0.00 O ATOM 150 CB PRO W 532 -3.733 -5.019 -5.491 1.00 0.00 C ATOM 151 CG PRO W 532 -3.600 -3.538 -5.478 1.00 0.00 C ATOM 152 CD PRO W 532 -3.784 -3.121 -4.044 1.00 0.00 C ATOM 0 HA PRO W 532 -5.793 -5.396 -4.804 1.00 0.00 H new ATOM 0 HB2 PRO W 532 -2.783 -5.505 -5.268 1.00 0.00 H new ATOM 0 HB3 PRO W 532 -4.054 -5.381 -6.468 1.00 0.00 H new ATOM 0 HG2 PRO W 532 -2.624 -3.230 -5.852 1.00 0.00 H new ATOM 0 HG3 PRO W 532 -4.349 -3.073 -6.119 1.00 0.00 H new ATOM 0 HD2 PRO W 532 -2.831 -3.048 -3.521 1.00 0.00 H new ATOM 0 HD3 PRO W 532 -4.266 -2.146 -3.967 1.00 0.00 H new ATOM 160 N PRO W 533 -4.608 -7.760 -4.536 1.00 0.00 N ATOM 161 CA PRO W 533 -4.418 -9.128 -4.038 1.00 0.00 C ATOM 162 C PRO W 533 -3.221 -9.315 -3.127 1.00 0.00 C ATOM 163 O PRO W 533 -3.300 -10.014 -2.116 1.00 0.00 O ATOM 164 CB PRO W 533 -4.218 -9.933 -5.314 1.00 0.00 C ATOM 165 CG PRO W 533 -5.008 -9.207 -6.344 1.00 0.00 C ATOM 166 CD PRO W 533 -4.928 -7.749 -5.980 1.00 0.00 C ATOM 0 HA PRO W 533 -5.265 -9.427 -3.421 1.00 0.00 H new ATOM 0 HB2 PRO W 533 -3.164 -9.987 -5.588 1.00 0.00 H new ATOM 0 HB3 PRO W 533 -4.569 -10.958 -5.195 1.00 0.00 H new ATOM 0 HG2 PRO W 533 -4.603 -9.383 -7.341 1.00 0.00 H new ATOM 0 HG3 PRO W 533 -6.043 -9.550 -6.355 1.00 0.00 H new ATOM 0 HD2 PRO W 533 -4.158 -7.235 -6.556 1.00 0.00 H new ATOM 0 HD3 PRO W 533 -5.869 -7.236 -6.177 1.00 0.00 H new ATOM 174 N ARG W 534 -2.115 -8.720 -3.499 1.00 0.00 N ATOM 175 CA ARG W 534 -0.890 -8.855 -2.723 1.00 0.00 C ATOM 176 C ARG W 534 -0.295 -7.505 -2.385 1.00 0.00 C ATOM 177 O ARG W 534 0.806 -7.171 -2.823 1.00 0.00 O ATOM 178 CB ARG W 534 0.128 -9.699 -3.489 1.00 0.00 C ATOM 179 CG ARG W 534 -0.250 -11.169 -3.577 1.00 0.00 C ATOM 180 CD ARG W 534 0.117 -11.914 -2.305 1.00 0.00 C ATOM 181 NE ARG W 534 1.505 -12.365 -2.315 1.00 0.00 N ATOM 182 CZ ARG W 534 2.054 -13.079 -1.337 1.00 0.00 C ATOM 183 NH1 ARG W 534 1.332 -13.421 -0.279 1.00 0.00 N ATOM 184 NH2 ARG W 534 3.323 -13.454 -1.418 1.00 0.00 N ATOM 0 H ARG W 534 -2.029 -8.137 -4.331 1.00 0.00 H new ATOM 0 HA ARG W 534 -1.142 -9.354 -1.787 1.00 0.00 H new ATOM 0 HB2 ARG W 534 0.236 -9.298 -4.497 1.00 0.00 H new ATOM 0 HB3 ARG W 534 1.100 -9.610 -3.005 1.00 0.00 H new ATOM 0 HG2 ARG W 534 -1.321 -11.260 -3.758 1.00 0.00 H new ATOM 0 HG3 ARG W 534 0.257 -11.626 -4.427 1.00 0.00 H new ATOM 0 HD2 ARG W 534 -0.047 -11.265 -1.445 1.00 0.00 H new ATOM 0 HD3 ARG W 534 -0.542 -12.774 -2.186 1.00 0.00 H new ATOM 0 HE ARG W 534 2.086 -12.119 -3.116 1.00 0.00 H new ATOM 0 HH11 ARG W 534 0.355 -13.136 -0.215 1.00 0.00 H new ATOM 0 HH12 ARG W 534 1.754 -13.969 0.471 1.00 0.00 H new ATOM 0 HH21 ARG W 534 3.880 -13.195 -2.232 1.00 0.00 H new ATOM 0 HH22 ARG W 534 3.742 -14.002 -0.666 1.00 0.00 H new ATOM 198 N TRP W 535 -1.024 -6.727 -1.600 1.00 0.00 N ATOM 199 CA TRP W 535 -0.546 -5.412 -1.210 1.00 0.00 C ATOM 200 C TRP W 535 -1.062 -4.996 0.161 1.00 0.00 C ATOM 201 O TRP W 535 -2.049 -5.536 0.661 1.00 0.00 O ATOM 202 CB TRP W 535 -0.939 -4.381 -2.262 1.00 0.00 C ATOM 203 CG TRP W 535 -0.165 -4.528 -3.531 1.00 0.00 C ATOM 204 CD1 TRP W 535 -0.379 -5.441 -4.522 1.00 0.00 C ATOM 205 CD2 TRP W 535 0.961 -3.748 -3.938 1.00 0.00 C ATOM 206 NE1 TRP W 535 0.537 -5.269 -5.528 1.00 0.00 N ATOM 207 CE2 TRP W 535 1.374 -4.233 -5.194 1.00 0.00 C ATOM 208 CE3 TRP W 535 1.657 -2.680 -3.366 1.00 0.00 C ATOM 209 CZ2 TRP W 535 2.453 -3.686 -5.884 1.00 0.00 C ATOM 210 CZ3 TRP W 535 2.728 -2.139 -4.052 1.00 0.00 C ATOM 211 CH2 TRP W 535 3.116 -2.643 -5.299 1.00 0.00 C ATOM 0 H TRP W 535 -1.938 -6.980 -1.225 1.00 0.00 H new ATOM 0 HA TRP W 535 0.541 -5.464 -1.142 1.00 0.00 H new ATOM 0 HB2 TRP W 535 -2.003 -4.475 -2.477 1.00 0.00 H new ATOM 0 HB3 TRP W 535 -0.783 -3.380 -1.860 1.00 0.00 H new ATOM 0 HD1 TRP W 535 -1.157 -6.190 -4.515 1.00 0.00 H new ATOM 0 HE1 TRP W 535 0.588 -5.821 -6.384 1.00 0.00 H new ATOM 0 HE3 TRP W 535 1.363 -2.284 -2.405 1.00 0.00 H new ATOM 0 HZ2 TRP W 535 2.755 -4.072 -6.846 1.00 0.00 H new ATOM 0 HZ3 TRP W 535 3.274 -1.314 -3.619 1.00 0.00 H new ATOM 0 HH2 TRP W 535 3.957 -2.198 -5.810 1.00 0.00 H new ATOM 222 N SER W 536 -0.377 -4.027 0.759 1.00 0.00 N ATOM 223 CA SER W 536 -0.741 -3.518 2.074 1.00 0.00 C ATOM 224 C SER W 536 -0.432 -2.027 2.171 1.00 0.00 C ATOM 225 O SER W 536 -0.367 -1.334 1.157 1.00 0.00 O ATOM 226 CB SER W 536 0.013 -4.286 3.161 1.00 0.00 C ATOM 227 OG SER W 536 -0.869 -4.731 4.177 1.00 0.00 O ATOM 0 H SER W 536 0.440 -3.576 0.348 1.00 0.00 H new ATOM 0 HA SER W 536 -1.812 -3.660 2.220 1.00 0.00 H new ATOM 0 HB2 SER W 536 0.524 -5.141 2.718 1.00 0.00 H new ATOM 0 HB3 SER W 536 0.781 -3.646 3.596 1.00 0.00 H new ATOM 0 HG SER W 536 -0.363 -5.220 4.859 1.00 0.00 H new ATOM 233 N MET W 537 -0.245 -1.534 3.391 1.00 0.00 N ATOM 234 CA MET W 537 0.053 -0.124 3.597 1.00 0.00 C ATOM 235 C MET W 537 0.759 0.097 4.930 1.00 0.00 C ATOM 236 O MET W 537 0.324 -0.405 5.967 1.00 0.00 O ATOM 237 CB MET W 537 -1.234 0.694 3.542 1.00 0.00 C ATOM 238 CG MET W 537 -1.740 0.926 2.129 1.00 0.00 C ATOM 239 SD MET W 537 -2.731 2.425 1.986 1.00 0.00 S ATOM 240 CE MET W 537 -1.470 3.678 2.203 1.00 0.00 C ATOM 0 H MET W 537 -0.294 -2.087 4.246 1.00 0.00 H new ATOM 0 HA MET W 537 0.721 0.204 2.801 1.00 0.00 H new ATOM 0 HB2 MET W 537 -2.006 0.183 4.117 1.00 0.00 H new ATOM 0 HB3 MET W 537 -1.064 1.658 4.022 1.00 0.00 H new ATOM 0 HG2 MET W 537 -0.891 0.990 1.449 1.00 0.00 H new ATOM 0 HG3 MET W 537 -2.336 0.069 1.815 1.00 0.00 H new ATOM 0 HE1 MET W 537 -1.781 4.597 1.707 1.00 0.00 H new ATOM 0 HE2 MET W 537 -1.327 3.870 3.266 1.00 0.00 H new ATOM 0 HE3 MET W 537 -0.533 3.330 1.768 1.00 0.00 H new ATOM 250 N GLN W 538 1.852 0.852 4.894 1.00 0.00 N ATOM 251 CA GLN W 538 2.620 1.140 6.098 1.00 0.00 C ATOM 252 C GLN W 538 3.299 2.502 5.999 1.00 0.00 C ATOM 253 O GLN W 538 3.645 2.956 4.909 1.00 0.00 O ATOM 254 CB GLN W 538 3.668 0.051 6.331 1.00 0.00 C ATOM 255 CG GLN W 538 4.052 -0.121 7.791 1.00 0.00 C ATOM 256 CD GLN W 538 3.943 -1.559 8.258 1.00 0.00 C ATOM 257 OE1 GLN W 538 3.087 -2.312 7.792 1.00 0.00 O ATOM 258 NE2 GLN W 538 4.811 -1.948 9.185 1.00 0.00 N ATOM 0 H GLN W 538 2.225 1.275 4.044 1.00 0.00 H new ATOM 0 HA GLN W 538 1.931 1.159 6.942 1.00 0.00 H new ATOM 0 HB2 GLN W 538 3.286 -0.896 5.950 1.00 0.00 H new ATOM 0 HB3 GLN W 538 4.562 0.289 5.754 1.00 0.00 H new ATOM 0 HG2 GLN W 538 5.074 0.228 7.937 1.00 0.00 H new ATOM 0 HG3 GLN W 538 3.409 0.507 8.408 1.00 0.00 H new ATOM 0 HE21 GLN W 538 5.504 -1.290 9.543 1.00 0.00 H new ATOM 0 HE22 GLN W 538 4.785 -2.904 9.539 1.00 0.00 H new ATOM 267 N VAL W 539 3.488 3.145 7.146 1.00 0.00 N ATOM 268 CA VAL W 539 4.128 4.453 7.191 1.00 0.00 C ATOM 269 C VAL W 539 5.630 4.316 7.410 1.00 0.00 C ATOM 270 O VAL W 539 6.076 3.520 8.237 1.00 0.00 O ATOM 271 CB VAL W 539 3.535 5.331 8.308 1.00 0.00 C ATOM 272 CG1 VAL W 539 3.822 4.725 9.673 1.00 0.00 C ATOM 273 CG2 VAL W 539 4.079 6.749 8.220 1.00 0.00 C ATOM 0 H VAL W 539 3.207 2.781 8.057 1.00 0.00 H new ATOM 0 HA VAL W 539 3.943 4.932 6.229 1.00 0.00 H new ATOM 0 HB VAL W 539 2.454 5.374 8.175 1.00 0.00 H new ATOM 0 HG11 VAL W 539 3.395 5.359 10.450 1.00 0.00 H new ATOM 0 HG12 VAL W 539 3.377 3.732 9.731 1.00 0.00 H new ATOM 0 HG13 VAL W 539 4.900 4.649 9.818 1.00 0.00 H new ATOM 0 HG21 VAL W 539 3.648 7.354 9.018 1.00 0.00 H new ATOM 0 HG22 VAL W 539 5.164 6.730 8.325 1.00 0.00 H new ATOM 0 HG23 VAL W 539 3.815 7.181 7.254 1.00 0.00 H new ATOM 283 N ALA W 540 6.406 5.093 6.663 1.00 0.00 N ATOM 284 CA ALA W 540 7.857 5.052 6.776 1.00 0.00 C ATOM 285 C ALA W 540 8.390 6.296 7.482 1.00 0.00 C ATOM 286 O ALA W 540 7.669 7.277 7.659 1.00 0.00 O ATOM 287 CB ALA W 540 8.488 4.913 5.399 1.00 0.00 C ATOM 0 H ALA W 540 6.054 5.758 5.974 1.00 0.00 H new ATOM 0 HA ALA W 540 8.126 4.183 7.377 1.00 0.00 H new ATOM 0 HB1 ALA W 540 9.573 4.884 5.497 1.00 0.00 H new ATOM 0 HB2 ALA W 540 8.141 3.992 4.931 1.00 0.00 H new ATOM 0 HB3 ALA W 540 8.203 5.764 4.780 1.00 0.00 H new ATOM 293 N PRO W 541 9.671 6.272 7.891 1.00 0.00 N ATOM 294 CA PRO W 541 10.300 7.404 8.575 1.00 0.00 C ATOM 295 C PRO W 541 10.538 8.577 7.634 1.00 0.00 C ATOM 296 O PRO W 541 10.643 9.725 8.068 1.00 0.00 O ATOM 297 CB PRO W 541 11.629 6.828 9.066 1.00 0.00 C ATOM 298 CG PRO W 541 11.933 5.720 8.118 1.00 0.00 C ATOM 299 CD PRO W 541 10.604 5.144 7.712 1.00 0.00 C ATOM 0 HA PRO W 541 9.676 7.801 9.375 1.00 0.00 H new ATOM 0 HB2 PRO W 541 12.415 7.583 9.058 1.00 0.00 H new ATOM 0 HB3 PRO W 541 11.548 6.463 10.090 1.00 0.00 H new ATOM 0 HG2 PRO W 541 12.480 6.088 7.250 1.00 0.00 H new ATOM 0 HG3 PRO W 541 12.558 4.963 8.591 1.00 0.00 H new ATOM 0 HD2 PRO W 541 10.617 4.794 6.680 1.00 0.00 H new ATOM 0 HD3 PRO W 541 10.329 4.293 8.334 1.00 0.00 H new ATOM 307 N ASN W 542 10.616 8.280 6.341 1.00 0.00 N ATOM 308 CA ASN W 542 10.835 9.308 5.333 1.00 0.00 C ATOM 309 C ASN W 542 9.832 10.444 5.498 1.00 0.00 C ATOM 310 O ASN W 542 10.133 11.601 5.201 1.00 0.00 O ATOM 311 CB ASN W 542 10.721 8.708 3.931 1.00 0.00 C ATOM 312 CG ASN W 542 10.837 9.755 2.841 1.00 0.00 C ATOM 313 OD1 ASN W 542 11.409 10.825 3.050 1.00 0.00 O ATOM 314 ND2 ASN W 542 10.296 9.449 1.667 1.00 0.00 N ATOM 0 H ASN W 542 10.531 7.335 5.967 1.00 0.00 H new ATOM 0 HA ASN W 542 11.840 9.710 5.465 1.00 0.00 H new ATOM 0 HB2 ASN W 542 11.501 7.959 3.795 1.00 0.00 H new ATOM 0 HB3 ASN W 542 9.765 8.193 3.836 1.00 0.00 H new ATOM 0 HD21 ASN W 542 10.345 10.113 0.894 1.00 0.00 H new ATOM 0 HD22 ASN W 542 9.831 8.550 1.538 1.00 0.00 H new ATOM 321 N GLY W 543 8.639 10.107 5.979 1.00 0.00 N ATOM 322 CA GLY W 543 7.613 11.113 6.181 1.00 0.00 C ATOM 323 C GLY W 543 6.331 10.815 5.424 1.00 0.00 C ATOM 324 O GLY W 543 5.317 11.481 5.633 1.00 0.00 O ATOM 0 H GLY W 543 8.365 9.157 6.232 1.00 0.00 H new ATOM 0 HA2 GLY W 543 7.391 11.188 7.245 1.00 0.00 H new ATOM 0 HA3 GLY W 543 7.997 12.083 5.866 1.00 0.00 H new ATOM 328 N ARG W 544 6.369 9.821 4.542 1.00 0.00 N ATOM 329 CA ARG W 544 5.192 9.459 3.761 1.00 0.00 C ATOM 330 C ARG W 544 4.938 7.959 3.807 1.00 0.00 C ATOM 331 O ARG W 544 5.859 7.166 4.002 1.00 0.00 O ATOM 332 CB ARG W 544 5.351 9.918 2.310 1.00 0.00 C ATOM 333 CG ARG W 544 6.429 9.167 1.544 1.00 0.00 C ATOM 334 CD ARG W 544 7.403 10.123 0.875 1.00 0.00 C ATOM 335 NE ARG W 544 7.977 9.559 -0.344 1.00 0.00 N ATOM 336 CZ ARG W 544 7.354 9.557 -1.517 1.00 0.00 C ATOM 337 NH1 ARG W 544 6.141 10.082 -1.628 1.00 0.00 N ATOM 338 NH2 ARG W 544 7.943 9.030 -2.583 1.00 0.00 N ATOM 0 H ARG W 544 7.196 9.255 4.351 1.00 0.00 H new ATOM 0 HA ARG W 544 4.333 9.964 4.203 1.00 0.00 H new ATOM 0 HB2 ARG W 544 4.399 9.796 1.793 1.00 0.00 H new ATOM 0 HB3 ARG W 544 5.585 10.983 2.299 1.00 0.00 H new ATOM 0 HG2 ARG W 544 6.971 8.511 2.225 1.00 0.00 H new ATOM 0 HG3 ARG W 544 5.965 8.531 0.790 1.00 0.00 H new ATOM 0 HD2 ARG W 544 6.890 11.054 0.636 1.00 0.00 H new ATOM 0 HD3 ARG W 544 8.204 10.370 1.572 1.00 0.00 H new ATOM 0 HE ARG W 544 8.907 9.144 -0.292 1.00 0.00 H new ATOM 0 HH11 ARG W 544 5.685 10.489 -0.811 1.00 0.00 H new ATOM 0 HH12 ARG W 544 5.665 10.079 -2.530 1.00 0.00 H new ATOM 0 HH21 ARG W 544 8.876 8.625 -2.502 1.00 0.00 H new ATOM 0 HH22 ARG W 544 7.463 9.029 -3.483 1.00 0.00 H new ATOM 352 N THR W 545 3.679 7.578 3.620 1.00 0.00 N ATOM 353 CA THR W 545 3.297 6.176 3.630 1.00 0.00 C ATOM 354 C THR W 545 3.596 5.534 2.288 1.00 0.00 C ATOM 355 O THR W 545 3.503 6.181 1.245 1.00 0.00 O ATOM 356 CB THR W 545 1.804 5.991 3.946 1.00 0.00 C ATOM 357 OG1 THR W 545 1.050 7.093 3.423 1.00 0.00 O ATOM 358 CG2 THR W 545 1.576 5.880 5.446 1.00 0.00 C ATOM 0 H THR W 545 2.906 8.224 3.460 1.00 0.00 H new ATOM 0 HA THR W 545 3.881 5.694 4.414 1.00 0.00 H new ATOM 0 HB THR W 545 1.469 5.067 3.475 1.00 0.00 H new ATOM 0 HG1 THR W 545 0.100 6.966 3.627 1.00 0.00 H new ATOM 0 HG21 THR W 545 0.512 5.750 5.644 1.00 0.00 H new ATOM 0 HG22 THR W 545 2.125 5.022 5.835 1.00 0.00 H new ATOM 0 HG23 THR W 545 1.927 6.788 5.936 1.00 0.00 H new ATOM 366 N PHE W 546 3.958 4.262 2.318 1.00 0.00 N ATOM 367 CA PHE W 546 4.276 3.542 1.099 1.00 0.00 C ATOM 368 C PHE W 546 3.322 2.374 0.884 1.00 0.00 C ATOM 369 O PHE W 546 2.373 2.185 1.647 1.00 0.00 O ATOM 370 CB PHE W 546 5.718 3.045 1.152 1.00 0.00 C ATOM 371 CG PHE W 546 6.074 2.370 2.445 1.00 0.00 C ATOM 372 CD1 PHE W 546 6.318 3.114 3.589 1.00 0.00 C ATOM 373 CD2 PHE W 546 6.166 0.988 2.517 1.00 0.00 C ATOM 374 CE1 PHE W 546 6.648 2.493 4.779 1.00 0.00 C ATOM 375 CE2 PHE W 546 6.496 0.363 3.703 1.00 0.00 C ATOM 376 CZ PHE W 546 6.737 1.115 4.836 1.00 0.00 C ATOM 0 H PHE W 546 4.038 3.709 3.171 1.00 0.00 H new ATOM 0 HA PHE W 546 4.162 4.226 0.258 1.00 0.00 H new ATOM 0 HB2 PHE W 546 5.884 2.348 0.330 1.00 0.00 H new ATOM 0 HB3 PHE W 546 6.390 3.889 0.995 1.00 0.00 H new ATOM 0 HD1 PHE W 546 6.249 4.191 3.550 1.00 0.00 H new ATOM 0 HD2 PHE W 546 5.977 0.394 1.635 1.00 0.00 H new ATOM 0 HE1 PHE W 546 6.836 3.084 5.663 1.00 0.00 H new ATOM 0 HE2 PHE W 546 6.566 -0.714 3.745 1.00 0.00 H new ATOM 0 HZ PHE W 546 6.994 0.627 5.765 1.00 0.00 H new ATOM 386 N PHE W 547 3.579 1.591 -0.158 1.00 0.00 N ATOM 387 CA PHE W 547 2.746 0.441 -0.475 1.00 0.00 C ATOM 388 C PHE W 547 3.578 -0.828 -0.519 1.00 0.00 C ATOM 389 O PHE W 547 4.532 -0.938 -1.290 1.00 0.00 O ATOM 390 CB PHE W 547 2.026 0.648 -1.807 1.00 0.00 C ATOM 391 CG PHE W 547 0.760 1.449 -1.678 1.00 0.00 C ATOM 392 CD1 PHE W 547 0.803 2.774 -1.275 1.00 0.00 C ATOM 393 CD2 PHE W 547 -0.471 0.876 -1.956 1.00 0.00 C ATOM 394 CE1 PHE W 547 -0.358 3.514 -1.152 1.00 0.00 C ATOM 395 CE2 PHE W 547 -1.635 1.611 -1.834 1.00 0.00 C ATOM 396 CZ PHE W 547 -1.579 2.931 -1.432 1.00 0.00 C ATOM 0 H PHE W 547 4.360 1.734 -0.798 1.00 0.00 H new ATOM 0 HA PHE W 547 1.998 0.337 0.311 1.00 0.00 H new ATOM 0 HB2 PHE W 547 2.698 1.152 -2.501 1.00 0.00 H new ATOM 0 HB3 PHE W 547 1.791 -0.324 -2.240 1.00 0.00 H new ATOM 0 HD1 PHE W 547 1.755 3.234 -1.054 1.00 0.00 H new ATOM 0 HD2 PHE W 547 -0.521 -0.156 -2.271 1.00 0.00 H new ATOM 0 HE1 PHE W 547 -0.311 4.546 -0.838 1.00 0.00 H new ATOM 0 HE2 PHE W 547 -2.588 1.153 -2.053 1.00 0.00 H new ATOM 0 HZ PHE W 547 -2.488 3.507 -1.337 1.00 0.00 H new ATOM 406 N ILE W 548 3.206 -1.782 0.317 1.00 0.00 N ATOM 407 CA ILE W 548 3.907 -3.049 0.389 1.00 0.00 C ATOM 408 C ILE W 548 3.357 -4.022 -0.646 1.00 0.00 C ATOM 409 O ILE W 548 2.153 -4.077 -0.880 1.00 0.00 O ATOM 410 CB ILE W 548 3.790 -3.663 1.799 1.00 0.00 C ATOM 411 CG1 ILE W 548 4.462 -2.756 2.831 1.00 0.00 C ATOM 412 CG2 ILE W 548 4.401 -5.058 1.842 1.00 0.00 C ATOM 413 CD1 ILE W 548 3.485 -1.923 3.632 1.00 0.00 C ATOM 0 H ILE W 548 2.417 -1.700 0.959 1.00 0.00 H new ATOM 0 HA ILE W 548 4.960 -2.863 0.177 1.00 0.00 H new ATOM 0 HB ILE W 548 2.731 -3.750 2.043 1.00 0.00 H new ATOM 0 HG12 ILE W 548 5.049 -3.370 3.514 1.00 0.00 H new ATOM 0 HG13 ILE W 548 5.159 -2.092 2.320 1.00 0.00 H new ATOM 0 HG21 ILE W 548 4.304 -5.467 2.848 1.00 0.00 H new ATOM 0 HG22 ILE W 548 3.881 -5.705 1.136 1.00 0.00 H new ATOM 0 HG23 ILE W 548 5.456 -5.002 1.573 1.00 0.00 H new ATOM 0 HD11 ILE W 548 4.032 -1.305 4.344 1.00 0.00 H new ATOM 0 HD12 ILE W 548 2.915 -1.283 2.959 1.00 0.00 H new ATOM 0 HD13 ILE W 548 2.803 -2.580 4.172 1.00 0.00 H new ATOM 425 N ASP W 549 4.251 -4.777 -1.265 1.00 0.00 N ATOM 426 CA ASP W 549 3.863 -5.750 -2.281 1.00 0.00 C ATOM 427 C ASP W 549 4.300 -7.156 -1.882 1.00 0.00 C ATOM 428 O ASP W 549 5.493 -7.446 -1.796 1.00 0.00 O ATOM 429 CB ASP W 549 4.474 -5.378 -3.634 1.00 0.00 C ATOM 430 CG ASP W 549 4.021 -6.305 -4.745 1.00 0.00 C ATOM 431 OD1 ASP W 549 3.153 -7.164 -4.485 1.00 0.00 O ATOM 432 OD2 ASP W 549 4.536 -6.171 -5.876 1.00 0.00 O ATOM 0 H ASP W 549 5.254 -4.736 -1.083 1.00 0.00 H new ATOM 0 HA ASP W 549 2.776 -5.736 -2.365 1.00 0.00 H new ATOM 0 HB2 ASP W 549 4.200 -4.353 -3.884 1.00 0.00 H new ATOM 0 HB3 ASP W 549 5.561 -5.408 -3.560 1.00 0.00 H new ATOM 437 N HIS W 550 3.324 -8.025 -1.639 1.00 0.00 N ATOM 438 CA HIS W 550 3.605 -9.402 -1.247 1.00 0.00 C ATOM 439 C HIS W 550 3.915 -10.272 -2.464 1.00 0.00 C ATOM 440 O HIS W 550 4.519 -11.336 -2.337 1.00 0.00 O ATOM 441 CB HIS W 550 2.419 -9.987 -0.480 1.00 0.00 C ATOM 442 CG HIS W 550 2.067 -9.220 0.757 1.00 0.00 C ATOM 443 ND1 HIS W 550 1.970 -9.840 1.979 1.00 0.00 N ATOM 444 CD2 HIS W 550 1.799 -7.901 0.906 1.00 0.00 C ATOM 445 CE1 HIS W 550 1.647 -8.892 2.841 1.00 0.00 C ATOM 446 NE2 HIS W 550 1.532 -7.698 2.236 1.00 0.00 N ATOM 0 H HIS W 550 2.331 -7.800 -1.707 1.00 0.00 H new ATOM 0 HA HIS W 550 4.483 -9.392 -0.601 1.00 0.00 H new ATOM 0 HB2 HIS W 550 1.551 -10.017 -1.138 1.00 0.00 H new ATOM 0 HB3 HIS W 550 2.647 -11.017 -0.206 1.00 0.00 H new ATOM 0 HD1 HIS W 550 2.117 -10.829 2.180 1.00 0.00 H new ATOM 0 HD2 HIS W 550 1.796 -7.153 0.127 1.00 0.00 H new ATOM 0 HE1 HIS W 550 1.495 -9.056 3.898 1.00 0.00 H new ATOM 454 N ALA W 551 3.496 -9.817 -3.641 1.00 0.00 N ATOM 455 CA ALA W 551 3.729 -10.560 -4.874 1.00 0.00 C ATOM 456 C ALA W 551 5.215 -10.640 -5.198 1.00 0.00 C ATOM 457 O ALA W 551 5.691 -11.642 -5.734 1.00 0.00 O ATOM 458 CB ALA W 551 2.972 -9.920 -6.026 1.00 0.00 C ATOM 0 H ALA W 551 2.994 -8.938 -3.766 1.00 0.00 H new ATOM 0 HA ALA W 551 3.361 -11.576 -4.729 1.00 0.00 H new ATOM 0 HB1 ALA W 551 3.155 -10.485 -6.940 1.00 0.00 H new ATOM 0 HB2 ALA W 551 1.904 -9.922 -5.806 1.00 0.00 H new ATOM 0 HB3 ALA W 551 3.313 -8.893 -6.160 1.00 0.00 H new ATOM 464 N SER W 552 5.946 -9.579 -4.874 1.00 0.00 N ATOM 465 CA SER W 552 7.380 -9.530 -5.136 1.00 0.00 C ATOM 466 C SER W 552 8.180 -9.233 -3.865 1.00 0.00 C ATOM 467 O SER W 552 9.402 -9.103 -3.915 1.00 0.00 O ATOM 468 CB SER W 552 7.682 -8.470 -6.196 1.00 0.00 C ATOM 469 OG SER W 552 8.031 -9.069 -7.433 1.00 0.00 O ATOM 0 H SER W 552 5.569 -8.742 -4.430 1.00 0.00 H new ATOM 0 HA SER W 552 7.683 -10.512 -5.500 1.00 0.00 H new ATOM 0 HB2 SER W 552 6.811 -7.829 -6.332 1.00 0.00 H new ATOM 0 HB3 SER W 552 8.497 -7.832 -5.855 1.00 0.00 H new ATOM 0 HG SER W 552 8.218 -8.370 -8.094 1.00 0.00 H new ATOM 475 N ARG W 553 7.493 -9.129 -2.728 1.00 0.00 N ATOM 476 CA ARG W 553 8.160 -8.850 -1.461 1.00 0.00 C ATOM 477 C ARG W 553 8.935 -7.538 -1.532 1.00 0.00 C ATOM 478 O ARG W 553 10.104 -7.476 -1.150 1.00 0.00 O ATOM 479 CB ARG W 553 9.109 -9.994 -1.097 1.00 0.00 C ATOM 480 CG ARG W 553 8.417 -11.169 -0.427 1.00 0.00 C ATOM 481 CD ARG W 553 7.531 -11.925 -1.403 1.00 0.00 C ATOM 482 NE ARG W 553 7.249 -13.283 -0.948 1.00 0.00 N ATOM 483 CZ ARG W 553 8.147 -14.262 -0.951 1.00 0.00 C ATOM 484 NH1 ARG W 553 9.380 -14.033 -1.383 1.00 0.00 N ATOM 485 NH2 ARG W 553 7.815 -15.470 -0.521 1.00 0.00 N ATOM 0 H ARG W 553 6.481 -9.233 -2.660 1.00 0.00 H new ATOM 0 HA ARG W 553 7.395 -8.760 -0.689 1.00 0.00 H new ATOM 0 HB2 ARG W 553 9.607 -10.344 -2.002 1.00 0.00 H new ATOM 0 HB3 ARG W 553 9.885 -9.614 -0.433 1.00 0.00 H new ATOM 0 HG2 ARG W 553 9.165 -11.846 -0.014 1.00 0.00 H new ATOM 0 HG3 ARG W 553 7.816 -10.810 0.409 1.00 0.00 H new ATOM 0 HD2 ARG W 553 6.593 -11.385 -1.534 1.00 0.00 H new ATOM 0 HD3 ARG W 553 8.016 -11.963 -2.378 1.00 0.00 H new ATOM 0 HE ARG W 553 6.310 -13.492 -0.609 1.00 0.00 H new ATOM 0 HH11 ARG W 553 9.640 -13.104 -1.714 1.00 0.00 H new ATOM 0 HH12 ARG W 553 10.068 -14.786 -1.384 1.00 0.00 H new ATOM 0 HH21 ARG W 553 6.868 -15.650 -0.187 1.00 0.00 H new ATOM 0 HH22 ARG W 553 8.506 -16.220 -0.524 1.00 0.00 H new ATOM 499 N ARG W 554 8.278 -6.492 -2.022 1.00 0.00 N ATOM 500 CA ARG W 554 8.908 -5.182 -2.142 1.00 0.00 C ATOM 501 C ARG W 554 7.900 -4.067 -1.890 1.00 0.00 C ATOM 502 O ARG W 554 6.692 -4.266 -2.020 1.00 0.00 O ATOM 503 CB ARG W 554 9.528 -5.016 -3.531 1.00 0.00 C ATOM 504 CG ARG W 554 10.734 -5.909 -3.772 1.00 0.00 C ATOM 505 CD ARG W 554 11.128 -5.928 -5.241 1.00 0.00 C ATOM 506 NE ARG W 554 11.974 -7.072 -5.566 1.00 0.00 N ATOM 507 CZ ARG W 554 12.229 -7.468 -6.810 1.00 0.00 C ATOM 508 NH1 ARG W 554 11.706 -6.813 -7.837 1.00 0.00 N ATOM 509 NH2 ARG W 554 13.007 -8.519 -7.026 1.00 0.00 N ATOM 0 H ARG W 554 7.310 -6.526 -2.342 1.00 0.00 H new ATOM 0 HA ARG W 554 9.693 -5.116 -1.389 1.00 0.00 H new ATOM 0 HB2 ARG W 554 8.771 -5.231 -4.285 1.00 0.00 H new ATOM 0 HB3 ARG W 554 9.825 -3.976 -3.665 1.00 0.00 H new ATOM 0 HG2 ARG W 554 11.574 -5.557 -3.173 1.00 0.00 H new ATOM 0 HG3 ARG W 554 10.509 -6.923 -3.441 1.00 0.00 H new ATOM 0 HD2 ARG W 554 10.229 -5.955 -5.857 1.00 0.00 H new ATOM 0 HD3 ARG W 554 11.655 -5.006 -5.487 1.00 0.00 H new ATOM 0 HE ARG W 554 12.392 -7.596 -4.798 1.00 0.00 H new ATOM 0 HH11 ARG W 554 11.107 -6.004 -7.674 1.00 0.00 H new ATOM 0 HH12 ARG W 554 11.903 -7.118 -8.790 1.00 0.00 H new ATOM 0 HH21 ARG W 554 13.411 -9.025 -6.238 1.00 0.00 H new ATOM 0 HH22 ARG W 554 13.202 -8.822 -7.980 1.00 0.00 H new ATOM 523 N THR W 555 8.406 -2.891 -1.535 1.00 0.00 N ATOM 524 CA THR W 555 7.553 -1.739 -1.270 1.00 0.00 C ATOM 525 C THR W 555 7.717 -0.683 -2.358 1.00 0.00 C ATOM 526 O THR W 555 8.618 -0.775 -3.192 1.00 0.00 O ATOM 527 CB THR W 555 7.870 -1.108 0.098 1.00 0.00 C ATOM 528 OG1 THR W 555 9.215 -0.614 0.112 1.00 0.00 O ATOM 529 CG2 THR W 555 7.686 -2.122 1.217 1.00 0.00 C ATOM 0 H THR W 555 9.404 -2.711 -1.424 1.00 0.00 H new ATOM 0 HA THR W 555 6.523 -2.097 -1.262 1.00 0.00 H new ATOM 0 HB THR W 555 7.179 -0.281 0.260 1.00 0.00 H new ATOM 0 HG1 THR W 555 9.543 -0.585 1.035 1.00 0.00 H new ATOM 0 HG21 THR W 555 7.916 -1.653 2.174 1.00 0.00 H new ATOM 0 HG22 THR W 555 6.654 -2.474 1.223 1.00 0.00 H new ATOM 0 HG23 THR W 555 8.356 -2.967 1.056 1.00 0.00 H new ATOM 537 N THR W 556 6.845 0.318 -2.345 1.00 0.00 N ATOM 538 CA THR W 556 6.899 1.386 -3.335 1.00 0.00 C ATOM 539 C THR W 556 6.193 2.640 -2.836 1.00 0.00 C ATOM 540 O THR W 556 5.374 2.584 -1.919 1.00 0.00 O ATOM 541 CB THR W 556 6.266 0.952 -4.669 1.00 0.00 C ATOM 542 OG1 THR W 556 6.106 2.087 -5.529 1.00 0.00 O ATOM 543 CG2 THR W 556 4.915 0.293 -4.435 1.00 0.00 C ATOM 0 H THR W 556 6.094 0.412 -1.661 1.00 0.00 H new ATOM 0 HA THR W 556 7.954 1.608 -3.497 1.00 0.00 H new ATOM 0 HB THR W 556 6.930 0.229 -5.143 1.00 0.00 H new ATOM 0 HG1 THR W 556 5.704 1.802 -6.376 1.00 0.00 H new ATOM 0 HG21 THR W 556 4.485 -0.006 -5.391 1.00 0.00 H new ATOM 0 HG22 THR W 556 5.044 -0.587 -3.804 1.00 0.00 H new ATOM 0 HG23 THR W 556 4.247 0.999 -3.942 1.00 0.00 H new ATOM 551 N TRP W 557 6.521 3.770 -3.450 1.00 0.00 N ATOM 552 CA TRP W 557 5.927 5.046 -3.078 1.00 0.00 C ATOM 553 C TRP W 557 4.681 5.342 -3.906 1.00 0.00 C ATOM 554 O TRP W 557 4.219 6.482 -3.957 1.00 0.00 O ATOM 555 CB TRP W 557 6.947 6.163 -3.272 1.00 0.00 C ATOM 556 CG TRP W 557 7.997 6.186 -2.210 1.00 0.00 C ATOM 557 CD1 TRP W 557 9.348 6.175 -2.391 1.00 0.00 C ATOM 558 CD2 TRP W 557 7.776 6.215 -0.802 1.00 0.00 C ATOM 559 NE1 TRP W 557 9.984 6.201 -1.174 1.00 0.00 N ATOM 560 CE2 TRP W 557 9.038 6.226 -0.180 1.00 0.00 C ATOM 561 CE3 TRP W 557 6.630 6.237 -0.006 1.00 0.00 C ATOM 562 CZ2 TRP W 557 9.186 6.257 1.203 1.00 0.00 C ATOM 563 CZ3 TRP W 557 6.775 6.267 1.368 1.00 0.00 C ATOM 564 CH2 TRP W 557 8.045 6.278 1.961 1.00 0.00 C ATOM 0 H TRP W 557 7.198 3.828 -4.211 1.00 0.00 H new ATOM 0 HA TRP W 557 5.633 4.989 -2.030 1.00 0.00 H new ATOM 0 HB2 TRP W 557 7.425 6.046 -4.245 1.00 0.00 H new ATOM 0 HB3 TRP W 557 6.429 7.122 -3.284 1.00 0.00 H new ATOM 0 HD1 TRP W 557 9.845 6.150 -3.350 1.00 0.00 H new ATOM 0 HE1 TRP W 557 10.994 6.202 -1.032 1.00 0.00 H new ATOM 0 HE3 TRP W 557 5.648 6.231 -0.455 1.00 0.00 H new ATOM 0 HZ2 TRP W 557 10.164 6.264 1.662 1.00 0.00 H new ATOM 0 HZ3 TRP W 557 5.896 6.282 1.995 1.00 0.00 H new ATOM 0 HH2 TRP W 557 8.126 6.304 3.038 1.00 0.00 H new ATOM 575 N ILE W 558 4.147 4.319 -4.563 1.00 0.00 N ATOM 576 CA ILE W 558 2.962 4.493 -5.393 1.00 0.00 C ATOM 577 C ILE W 558 1.931 3.404 -5.122 1.00 0.00 C ATOM 578 O ILE W 558 2.278 2.243 -4.913 1.00 0.00 O ATOM 579 CB ILE W 558 3.313 4.499 -6.899 1.00 0.00 C ATOM 580 CG1 ILE W 558 4.736 5.044 -7.117 1.00 0.00 C ATOM 581 CG2 ILE W 558 2.283 5.321 -7.666 1.00 0.00 C ATOM 582 CD1 ILE W 558 5.027 5.480 -8.540 1.00 0.00 C ATOM 0 H ILE W 558 4.513 3.367 -4.538 1.00 0.00 H new ATOM 0 HA ILE W 558 2.538 5.462 -5.129 1.00 0.00 H new ATOM 0 HB ILE W 558 3.288 3.477 -7.277 1.00 0.00 H new ATOM 0 HG12 ILE W 558 4.894 5.892 -6.450 1.00 0.00 H new ATOM 0 HG13 ILE W 558 5.454 4.276 -6.831 1.00 0.00 H new ATOM 0 HG21 ILE W 558 2.535 5.322 -8.726 1.00 0.00 H new ATOM 0 HG22 ILE W 558 1.294 4.885 -7.528 1.00 0.00 H new ATOM 0 HG23 ILE W 558 2.283 6.345 -7.292 1.00 0.00 H new ATOM 0 HD11 ILE W 558 6.050 5.850 -8.605 1.00 0.00 H new ATOM 0 HD12 ILE W 558 4.905 4.631 -9.213 1.00 0.00 H new ATOM 0 HD13 ILE W 558 4.335 6.272 -8.826 1.00 0.00 H new ATOM 594 N ASP W 559 0.660 3.792 -5.124 1.00 0.00 N ATOM 595 CA ASP W 559 -0.428 2.855 -4.874 1.00 0.00 C ATOM 596 C ASP W 559 -0.827 2.120 -6.155 1.00 0.00 C ATOM 597 O ASP W 559 -1.007 2.742 -7.201 1.00 0.00 O ATOM 598 CB ASP W 559 -1.636 3.599 -4.299 1.00 0.00 C ATOM 599 CG ASP W 559 -2.319 4.484 -5.323 1.00 0.00 C ATOM 600 OD1 ASP W 559 -2.922 3.939 -6.271 1.00 0.00 O ATOM 601 OD2 ASP W 559 -2.250 5.723 -5.177 1.00 0.00 O ATOM 0 H ASP W 559 0.358 4.751 -5.296 1.00 0.00 H new ATOM 0 HA ASP W 559 -0.082 2.116 -4.152 1.00 0.00 H new ATOM 0 HB2 ASP W 559 -2.354 2.875 -3.914 1.00 0.00 H new ATOM 0 HB3 ASP W 559 -1.314 4.209 -3.455 1.00 0.00 H new ATOM 606 N PRO W 560 -0.983 0.784 -6.088 1.00 0.00 N ATOM 607 CA PRO W 560 -1.375 -0.014 -7.243 1.00 0.00 C ATOM 608 C PRO W 560 -2.880 0.018 -7.462 1.00 0.00 C ATOM 609 O PRO W 560 -3.360 -0.039 -8.594 1.00 0.00 O ATOM 610 CB PRO W 560 -0.913 -1.430 -6.892 1.00 0.00 C ATOM 611 CG PRO W 560 -0.670 -1.452 -5.412 1.00 0.00 C ATOM 612 CD PRO W 560 -0.807 -0.043 -4.886 1.00 0.00 C ATOM 0 HA PRO W 560 -0.935 0.361 -8.167 1.00 0.00 H new ATOM 0 HB2 PRO W 560 -1.669 -2.164 -7.171 1.00 0.00 H new ATOM 0 HB3 PRO W 560 -0.004 -1.686 -7.437 1.00 0.00 H new ATOM 0 HG2 PRO W 560 -1.385 -2.112 -4.920 1.00 0.00 H new ATOM 0 HG3 PRO W 560 0.325 -1.842 -5.197 1.00 0.00 H new ATOM 0 HD2 PRO W 560 -1.660 0.048 -4.213 1.00 0.00 H new ATOM 0 HD3 PRO W 560 0.077 0.258 -4.323 1.00 0.00 H new ATOM 620 N ARG W 561 -3.619 0.116 -6.363 1.00 0.00 N ATOM 621 CA ARG W 561 -5.074 0.165 -6.416 1.00 0.00 C ATOM 622 C ARG W 561 -5.547 1.207 -7.426 1.00 0.00 C ATOM 623 O ARG W 561 -6.647 1.105 -7.970 1.00 0.00 O ATOM 624 CB ARG W 561 -5.641 0.484 -5.030 1.00 0.00 C ATOM 625 CG ARG W 561 -4.786 1.457 -4.233 1.00 0.00 C ATOM 626 CD ARG W 561 -5.621 2.261 -3.249 1.00 0.00 C ATOM 627 NE ARG W 561 -5.352 1.882 -1.864 1.00 0.00 N ATOM 628 CZ ARG W 561 -5.540 2.691 -0.822 1.00 0.00 C ATOM 629 NH1 ARG W 561 -6.009 3.919 -1.002 1.00 0.00 N ATOM 630 NH2 ARG W 561 -5.262 2.269 0.403 1.00 0.00 N ATOM 0 H ARG W 561 -3.232 0.163 -5.421 1.00 0.00 H new ATOM 0 HA ARG W 561 -5.437 -0.812 -6.735 1.00 0.00 H new ATOM 0 HB2 ARG W 561 -6.642 0.901 -5.143 1.00 0.00 H new ATOM 0 HB3 ARG W 561 -5.743 -0.443 -4.466 1.00 0.00 H new ATOM 0 HG2 ARG W 561 -4.016 0.907 -3.693 1.00 0.00 H new ATOM 0 HG3 ARG W 561 -4.274 2.135 -4.915 1.00 0.00 H new ATOM 0 HD2 ARG W 561 -5.414 3.323 -3.381 1.00 0.00 H new ATOM 0 HD3 ARG W 561 -6.679 2.113 -3.466 1.00 0.00 H new ATOM 0 HE ARG W 561 -4.999 0.942 -1.684 1.00 0.00 H new ATOM 0 HH11 ARG W 561 -6.228 4.249 -1.942 1.00 0.00 H new ATOM 0 HH12 ARG W 561 -6.151 4.533 -0.200 1.00 0.00 H new ATOM 0 HH21 ARG W 561 -4.904 1.325 0.548 1.00 0.00 H new ATOM 0 HH22 ARG W 561 -5.406 2.888 1.201 1.00 0.00 H new ATOM 644 N ASN W 562 -4.708 2.209 -7.671 1.00 0.00 N ATOM 645 CA ASN W 562 -5.039 3.272 -8.618 1.00 0.00 C ATOM 646 C ASN W 562 -3.842 3.596 -9.505 1.00 0.00 C ATOM 647 O ASN W 562 -3.967 3.687 -10.726 1.00 0.00 O ATOM 648 CB ASN W 562 -5.491 4.542 -7.883 1.00 0.00 C ATOM 649 CG ASN W 562 -6.130 4.259 -6.536 1.00 0.00 C ATOM 650 OD1 ASN W 562 -7.107 3.515 -6.442 1.00 0.00 O ATOM 651 ND2 ASN W 562 -5.578 4.853 -5.486 1.00 0.00 N ATOM 0 H ASN W 562 -3.795 2.308 -7.228 1.00 0.00 H new ATOM 0 HA ASN W 562 -5.859 2.915 -9.241 1.00 0.00 H new ATOM 0 HB2 ASN W 562 -4.631 5.196 -7.739 1.00 0.00 H new ATOM 0 HB3 ASN W 562 -6.202 5.082 -8.508 1.00 0.00 H new ATOM 0 HD21 ASN W 562 -5.963 4.701 -4.554 1.00 0.00 H new ATOM 0 HD22 ASN W 562 -4.769 5.462 -5.611 1.00 0.00 H new ATOM 658 N GLY W 563 -2.682 3.774 -8.878 1.00 0.00 N ATOM 659 CA GLY W 563 -1.476 4.091 -9.620 1.00 0.00 C ATOM 660 C GLY W 563 -1.030 5.525 -9.408 1.00 0.00 C ATOM 661 O GLY W 563 -0.664 6.215 -10.359 1.00 0.00 O ATOM 0 H GLY W 563 -2.557 3.704 -7.868 1.00 0.00 H new ATOM 0 HA2 GLY W 563 -0.677 3.415 -9.316 1.00 0.00 H new ATOM 0 HA3 GLY W 563 -1.650 3.920 -10.682 1.00 0.00 H new ATOM 665 N ARG W 564 -1.060 5.971 -8.156 1.00 0.00 N ATOM 666 CA ARG W 564 -0.657 7.331 -7.816 1.00 0.00 C ATOM 667 C ARG W 564 0.198 7.343 -6.553 1.00 0.00 C ATOM 668 O ARG W 564 0.101 6.445 -5.717 1.00 0.00 O ATOM 669 CB ARG W 564 -1.889 8.218 -7.621 1.00 0.00 C ATOM 670 CG ARG W 564 -2.384 8.862 -8.906 1.00 0.00 C ATOM 671 CD ARG W 564 -3.886 8.697 -9.071 1.00 0.00 C ATOM 672 NE ARG W 564 -4.599 9.958 -8.887 1.00 0.00 N ATOM 673 CZ ARG W 564 -4.605 10.938 -9.785 1.00 0.00 C ATOM 674 NH1 ARG W 564 -3.941 10.800 -10.924 1.00 0.00 N ATOM 675 NH2 ARG W 564 -5.276 12.056 -9.545 1.00 0.00 N ATOM 0 H ARG W 564 -1.360 5.409 -7.359 1.00 0.00 H new ATOM 0 HA ARG W 564 -0.063 7.725 -8.641 1.00 0.00 H new ATOM 0 HB2 ARG W 564 -2.693 7.620 -7.191 1.00 0.00 H new ATOM 0 HB3 ARG W 564 -1.653 9.000 -6.900 1.00 0.00 H new ATOM 0 HG2 ARG W 564 -2.132 9.922 -8.903 1.00 0.00 H new ATOM 0 HG3 ARG W 564 -1.872 8.415 -9.758 1.00 0.00 H new ATOM 0 HD2 ARG W 564 -4.100 8.301 -10.064 1.00 0.00 H new ATOM 0 HD3 ARG W 564 -4.252 7.965 -8.350 1.00 0.00 H new ATOM 0 HE ARG W 564 -5.121 10.094 -8.022 1.00 0.00 H new ATOM 0 HH11 ARG W 564 -3.424 9.941 -11.112 1.00 0.00 H new ATOM 0 HH12 ARG W 564 -3.947 11.553 -11.612 1.00 0.00 H new ATOM 0 HH21 ARG W 564 -5.789 12.165 -8.670 1.00 0.00 H new ATOM 0 HH22 ARG W 564 -5.279 12.807 -10.235 1.00 0.00 H new ATOM 689 N ALA W 565 1.037 8.366 -6.421 1.00 0.00 N ATOM 690 CA ALA W 565 1.911 8.494 -5.261 1.00 0.00 C ATOM 691 C ALA W 565 1.109 8.777 -3.995 1.00 0.00 C ATOM 692 O ALA W 565 0.085 9.459 -4.035 1.00 0.00 O ATOM 693 CB ALA W 565 2.939 9.590 -5.493 1.00 0.00 C ATOM 0 H ALA W 565 1.130 9.118 -7.104 1.00 0.00 H new ATOM 0 HA ALA W 565 2.431 7.546 -5.124 1.00 0.00 H new ATOM 0 HB1 ALA W 565 3.585 9.674 -4.619 1.00 0.00 H new ATOM 0 HB2 ALA W 565 3.542 9.344 -6.367 1.00 0.00 H new ATOM 0 HB3 ALA W 565 2.428 10.538 -5.660 1.00 0.00 H new ATOM 699 N SER W 566 1.584 8.249 -2.872 1.00 0.00 N ATOM 700 CA SER W 566 0.914 8.445 -1.591 1.00 0.00 C ATOM 701 C SER W 566 0.738 9.931 -1.294 1.00 0.00 C ATOM 702 O SER W 566 -0.359 10.373 -0.958 1.00 99.99 O ATOM 703 CB SER W 566 1.712 7.772 -0.470 1.00 0.00 C ATOM 704 OG SER W 566 1.529 8.440 0.767 1.00 0.00 O ATOM 0 H SER W 566 2.430 7.682 -2.823 1.00 0.00 H new ATOM 0 HA SER W 566 -0.074 7.988 -1.646 1.00 0.00 H new ATOM 0 HB2 SER W 566 1.401 6.732 -0.373 1.00 0.00 H new ATOM 0 HB3 SER W 566 2.771 7.765 -0.729 1.00 0.00 H new ATOM 0 HG SER W 566 1.406 7.779 1.480 1.00 0.00 H new TER 710 SER W 566 ATOM 711 N THR P 227 14.635 10.287 0.364 1.00 0.00 N ATOM 712 CA THR P 227 13.920 9.037 0.001 1.00 0.00 C ATOM 713 C THR P 227 14.228 7.921 0.993 1.00 0.00 C ATOM 714 O THR P 227 15.384 7.538 1.174 1.00 0.00 O ATOM 715 CB THR P 227 14.303 8.565 -1.413 1.00 0.00 C ATOM 716 OG1 THR P 227 15.602 9.058 -1.760 1.00 0.00 O ATOM 717 CG2 THR P 227 13.284 9.042 -2.438 1.00 0.00 C ATOM 0 HA THR P 227 12.854 9.262 0.028 1.00 0.00 H new ATOM 0 HB THR P 227 14.316 7.475 -1.416 1.00 0.00 H new ATOM 0 HG1 THR P 227 15.852 9.782 -1.148 1.00 0.00 H new ATOM 0 HG21 THR P 227 13.576 8.696 -3.430 1.00 0.00 H new ATOM 0 HG22 THR P 227 12.302 8.641 -2.188 1.00 0.00 H new ATOM 0 HG23 THR P 227 13.243 10.131 -2.431 1.00 0.00 H new ATOM 727 N GLY P 228 13.184 7.401 1.633 1.00 0.00 N ATOM 728 CA GLY P 228 13.362 6.333 2.599 1.00 0.00 C ATOM 729 C GLY P 228 12.242 5.312 2.545 1.00 0.00 C ATOM 730 O GLY P 228 11.331 5.338 3.370 1.00 0.00 O ATOM 0 H GLY P 228 12.218 7.701 1.499 1.00 0.00 H new ATOM 0 HA2 GLY P 228 14.314 5.835 2.414 1.00 0.00 H new ATOM 0 HA3 GLY P 228 13.414 6.758 3.601 1.00 0.00 H new ATOM 734 N LEU P 229 12.311 4.412 1.568 1.00 0.00 N ATOM 735 CA LEU P 229 11.294 3.377 1.405 1.00 0.00 C ATOM 736 C LEU P 229 11.766 2.049 1.995 1.00 0.00 C ATOM 737 O LEU P 229 12.618 1.375 1.416 1.00 0.00 O ATOM 738 CB LEU P 229 10.962 3.193 -0.077 1.00 0.00 C ATOM 739 CG LEU P 229 10.039 2.014 -0.393 1.00 0.00 C ATOM 740 CD1 LEU P 229 8.713 2.510 -0.951 1.00 0.00 C ATOM 741 CD2 LEU P 229 10.707 1.061 -1.373 1.00 0.00 C ATOM 0 H LEU P 229 13.061 4.378 0.877 1.00 0.00 H new ATOM 0 HA LEU P 229 10.399 3.696 1.940 1.00 0.00 H new ATOM 0 HB2 LEU P 229 10.497 4.107 -0.446 1.00 0.00 H new ATOM 0 HB3 LEU P 229 11.893 3.064 -0.629 1.00 0.00 H new ATOM 0 HG LEU P 229 9.842 1.473 0.533 1.00 0.00 H new ATOM 0 HD11 LEU P 229 8.069 1.658 -1.170 1.00 0.00 H new ATOM 0 HD12 LEU P 229 8.227 3.153 -0.217 1.00 0.00 H new ATOM 0 HD13 LEU P 229 8.892 3.075 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU P 229 10.036 0.229 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU P 229 10.934 1.591 -2.298 1.00 0.00 H new ATOM 0 HD23 LEU P 229 11.631 0.680 -0.938 1.00 0.00 H new ATOM 753 N PRO P 230 11.218 1.649 3.157 1.00 0.00 N ATOM 754 CA PRO P 230 11.590 0.394 3.816 1.00 0.00 C ATOM 755 C PRO P 230 11.112 -0.826 3.037 1.00 0.00 C ATOM 756 O PRO P 230 9.927 -1.158 3.050 1.00 0.00 O ATOM 757 CB PRO P 230 10.883 0.463 5.179 1.00 0.00 C ATOM 758 CG PRO P 230 10.417 1.875 5.318 1.00 0.00 C ATOM 759 CD PRO P 230 10.199 2.379 3.922 1.00 0.00 C ATOM 0 HA PRO P 230 12.672 0.288 3.894 1.00 0.00 H new ATOM 0 HB2 PRO P 230 10.045 -0.232 5.222 1.00 0.00 H new ATOM 0 HB3 PRO P 230 11.563 0.193 5.987 1.00 0.00 H new ATOM 0 HG2 PRO P 230 9.496 1.926 5.899 1.00 0.00 H new ATOM 0 HG3 PRO P 230 11.158 2.481 5.840 1.00 0.00 H new ATOM 0 HD2 PRO P 230 9.192 2.163 3.565 1.00 0.00 H new ATOM 0 HD3 PRO P 230 10.337 3.458 3.854 1.00 0.00 H new ATOM 767 N SER P 231 12.042 -1.491 2.357 1.00 0.00 N ATOM 768 CA SER P 231 11.710 -2.675 1.573 1.00 0.00 C ATOM 769 C SER P 231 10.991 -3.712 2.428 1.00 0.00 C ATOM 770 O SER P 231 11.007 -3.638 3.657 1.00 0.00 O ATOM 771 CB SER P 231 12.978 -3.285 0.971 1.00 0.00 C ATOM 772 OG SER P 231 12.754 -4.623 0.559 1.00 0.00 O ATOM 0 H SER P 231 13.028 -1.231 2.333 1.00 0.00 H new ATOM 0 HA SER P 231 11.042 -2.370 0.767 1.00 0.00 H new ATOM 0 HB2 SER P 231 13.303 -2.688 0.119 1.00 0.00 H new ATOM 0 HB3 SER P 231 13.783 -3.257 1.705 1.00 0.00 H new ATOM 0 HG SER P 231 13.578 -4.990 0.176 1.00 0.00 H new ATOM 778 N TYR P 232 10.362 -4.680 1.769 1.00 0.00 N ATOM 779 CA TYR P 232 9.636 -5.736 2.466 1.00 0.00 C ATOM 780 C TYR P 232 10.571 -6.538 3.364 1.00 0.00 C ATOM 781 O TYR P 232 11.044 -7.609 2.983 1.00 0.00 O ATOM 782 CB TYR P 232 8.959 -6.663 1.455 1.00 0.00 C ATOM 783 CG TYR P 232 7.708 -7.331 1.982 1.00 0.00 C ATOM 784 CD1 TYR P 232 7.658 -7.840 3.273 1.00 0.00 C ATOM 785 CD2 TYR P 232 6.577 -7.452 1.184 1.00 0.00 C ATOM 786 CE1 TYR P 232 6.516 -8.452 3.755 1.00 0.00 C ATOM 787 CE2 TYR P 232 5.432 -8.062 1.659 1.00 0.00 C ATOM 788 CZ TYR P 232 5.406 -8.560 2.944 1.00 0.00 C ATOM 789 OH TYR P 232 4.268 -9.169 3.419 1.00 0.00 O ATOM 0 H TYR P 232 10.340 -4.755 0.752 1.00 0.00 H new ATOM 0 HA TYR P 232 8.875 -5.271 3.092 1.00 0.00 H new ATOM 0 HB2 TYR P 232 8.705 -6.090 0.563 1.00 0.00 H new ATOM 0 HB3 TYR P 232 9.669 -7.432 1.149 1.00 0.00 H new ATOM 0 HD1 TYR P 232 8.525 -7.756 3.911 1.00 0.00 H new ATOM 0 HD2 TYR P 232 6.593 -7.063 0.177 1.00 0.00 H new ATOM 0 HE1 TYR P 232 6.493 -8.843 4.761 1.00 0.00 H new ATOM 0 HE2 TYR P 232 4.561 -8.148 1.026 1.00 0.00 H new ATOM 0 HH TYR P 232 3.805 -9.617 2.681 1.00 0.00 H new ATOM 799 N ASP P 233 10.835 -6.014 4.556 1.00 0.00 N ATOM 800 CA ASP P 233 11.715 -6.684 5.505 1.00 0.00 C ATOM 801 C ASP P 233 11.905 -5.842 6.763 1.00 0.00 C ATOM 802 O ASP P 233 11.750 -6.335 7.881 1.00 0.00 O ATOM 803 CB ASP P 233 13.072 -6.971 4.859 1.00 0.00 C ATOM 804 CG ASP P 233 13.626 -8.325 5.253 1.00 0.00 C ATOM 805 OD1 ASP P 233 14.221 -8.429 6.345 1.00 0.00 O ATOM 806 OD2 ASP P 233 13.463 -9.284 4.469 1.00 0.00 O ATOM 0 H ASP P 233 10.452 -5.128 4.887 1.00 0.00 H new ATOM 0 HA ASP P 233 11.249 -7.627 5.790 1.00 0.00 H new ATOM 0 HB2 ASP P 233 12.972 -6.924 3.775 1.00 0.00 H new ATOM 0 HB3 ASP P 233 13.780 -6.194 5.148 1.00 0.00 H new ATOM 811 N GLU P 234 12.244 -4.571 6.574 1.00 0.00 N ATOM 812 CA GLU P 234 12.457 -3.664 7.697 1.00 0.00 C ATOM 813 C GLU P 234 11.139 -3.053 8.165 1.00 0.00 C ATOM 814 O GLU P 234 10.985 -2.712 9.337 1.00 0.00 O ATOM 815 CB GLU P 234 13.435 -2.555 7.308 1.00 0.00 C ATOM 816 CG GLU P 234 13.072 -1.846 6.014 1.00 0.00 C ATOM 817 CD GLU P 234 13.783 -2.431 4.809 1.00 0.00 C ATOM 818 OE1 GLU P 234 13.459 -3.575 4.427 1.00 0.00 O ATOM 819 OE2 GLU P 234 14.663 -1.746 4.248 1.00 0.00 O ATOM 0 H GLU P 234 12.377 -4.146 5.656 1.00 0.00 H new ATOM 0 HA GLU P 234 12.881 -4.241 8.519 1.00 0.00 H new ATOM 0 HB2 GLU P 234 13.478 -1.822 8.114 1.00 0.00 H new ATOM 0 HB3 GLU P 234 14.434 -2.981 7.211 1.00 0.00 H new ATOM 0 HG2 GLU P 234 11.995 -1.907 5.861 1.00 0.00 H new ATOM 0 HG3 GLU P 234 13.322 -0.789 6.101 1.00 0.00 H new ATOM 826 N ALA P 235 10.194 -2.916 7.240 1.00 0.00 N ATOM 827 CA ALA P 235 8.891 -2.344 7.561 1.00 0.00 C ATOM 828 C ALA P 235 7.898 -3.430 7.963 1.00 0.00 C ATOM 829 O ALA P 235 6.959 -3.730 7.226 1.00 0.00 O ATOM 830 CB ALA P 235 8.358 -1.552 6.377 1.00 0.00 C ATOM 0 H ALA P 235 10.306 -3.192 6.265 1.00 0.00 H new ATOM 0 HA ALA P 235 9.016 -1.671 8.409 1.00 0.00 H new ATOM 0 HB1 ALA P 235 7.385 -1.130 6.630 1.00 0.00 H new ATOM 0 HB2 ALA P 235 9.051 -0.746 6.137 1.00 0.00 H new ATOM 0 HB3 ALA P 235 8.255 -2.211 5.515 1.00 0.00 H new ATOM 836 N LEU P 236 8.111 -4.016 9.138 1.00 0.00 N ATOM 837 CA LEU P 236 7.232 -5.068 9.637 1.00 0.00 C ATOM 838 C LEU P 236 6.939 -4.876 11.122 1.00 0.00 C ATOM 839 O LEU P 236 7.051 -5.813 11.912 1.00 0.00 O ATOM 840 CB LEU P 236 7.863 -6.442 9.405 1.00 0.00 C ATOM 841 CG LEU P 236 7.624 -7.038 8.017 1.00 0.00 C ATOM 842 CD1 LEU P 236 8.660 -6.524 7.030 1.00 0.00 C ATOM 843 CD2 LEU P 236 7.651 -8.558 8.079 1.00 0.00 C ATOM 0 H LEU P 236 8.883 -3.780 9.761 1.00 0.00 H new ATOM 0 HA LEU P 236 6.292 -5.009 9.089 1.00 0.00 H new ATOM 0 HB2 LEU P 236 8.938 -6.364 9.570 1.00 0.00 H new ATOM 0 HB3 LEU P 236 7.475 -7.134 10.153 1.00 0.00 H new ATOM 0 HG LEU P 236 6.638 -6.725 7.672 1.00 0.00 H new ATOM 0 HD11 LEU P 236 8.474 -6.959 6.048 1.00 0.00 H new ATOM 0 HD12 LEU P 236 8.593 -5.438 6.965 1.00 0.00 H new ATOM 0 HD13 LEU P 236 9.657 -6.806 7.369 1.00 0.00 H new ATOM 0 HD21 LEU P 236 7.479 -8.966 7.083 1.00 0.00 H new ATOM 0 HD22 LEU P 236 8.623 -8.890 8.444 1.00 0.00 H new ATOM 0 HD23 LEU P 236 6.870 -8.909 8.754 1.00 0.00 H new ATOM 855 N HIS P 237 6.562 -3.657 11.493 1.00 0.00 N ATOM 856 CA HIS P 237 6.252 -3.346 12.884 1.00 0.00 C ATOM 857 C HIS P 237 5.955 -1.860 13.055 1.00 0.00 C ATOM 858 O HIS P 237 4.943 -1.492 13.647 1.00 99.99 O ATOM 859 CB HIS P 237 7.414 -3.753 13.792 1.00 0.00 C ATOM 860 CG HIS P 237 8.752 -3.310 13.287 1.00 0.00 C ATOM 861 ND1 HIS P 237 9.119 -1.984 13.193 1.00 0.00 N ATOM 862 CD2 HIS P 237 9.815 -4.024 12.845 1.00 0.00 C ATOM 863 CE1 HIS P 237 10.348 -1.901 12.716 1.00 0.00 C ATOM 864 NE2 HIS P 237 10.792 -3.126 12.497 1.00 0.00 N ATOM 0 H HIS P 237 6.464 -2.870 10.852 1.00 0.00 H new ATOM 0 HA HIS P 237 5.364 -3.912 13.167 1.00 0.00 H new ATOM 0 HB2 HIS P 237 7.253 -3.333 14.785 1.00 0.00 H new ATOM 0 HB3 HIS P 237 7.417 -4.838 13.901 1.00 0.00 H new ATOM 0 HD2 HIS P 237 9.881 -5.100 12.779 1.00 0.00 H new ATOM 0 HE1 HIS P 237 10.896 -0.988 12.536 1.00 0.00 H new ATOM 0 HE2 HIS P 237 11.713 -3.365 12.129 1.00 0.00 H new TER 873 HIS P 237