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: W 545 THR OG1 : rot 180:sc= 0.0968 USER MOD Set 1.2: W 566 SER OG : rot 180:sc= -0.089 USER MOD Single : P 227 THR OG1 : rot -23:sc= 1.2 USER MOD Single : P 231 SER OG : rot 180:sc= 0.0735 USER MOD Single : P 232 TYR OH : rot 130:sc= -0.617 USER MOD Single : P 237 HIS : no HD1:sc= -0.563 X(o=-0.56,f=-0.078) 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 160:sc= -0.023 (180deg=-0.258) USER MOD Single : W 538 GLN : amide:sc= -0.754 K(o=-0.75,f=-1.7!) USER MOD Single : W 542 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.3!) USER MOD Single : W 550 HIS : no HE2:sc= -1.03 X(o=-1,f=-0.71) USER MOD Single : W 552 SER OG : rot 180:sc= 0 USER MOD Single : W 555 THR OG1 : rot 180:sc= -3.49! USER MOD Single : W 556 THR OG1 : rot 180:sc= -0.419 USER MOD Single : W 562 ASN : amide:sc= -0.994 K(o=-0.99,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY W 521 -13.445 6.146 -18.357 1.00 99.99 N ATOM 2 CA GLY W 521 -13.846 4.802 -18.720 1.00 0.00 C ATOM 3 C GLY W 521 -13.315 3.807 -17.704 1.00 0.00 C ATOM 4 O GLY W 521 -14.066 2.973 -17.199 1.00 0.00 O ATOM 0 HA2 GLY W 521 -14.933 4.739 -18.768 1.00 0.00 H new ATOM 0 HA3 GLY W 521 -13.468 4.557 -19.713 1.00 0.00 H new ATOM 10 N PRO W 522 -12.012 3.870 -17.383 1.00 0.00 N ATOM 11 CA PRO W 522 -11.392 2.960 -16.415 1.00 0.00 C ATOM 12 C PRO W 522 -12.117 2.963 -15.074 1.00 0.00 C ATOM 13 O PRO W 522 -13.199 3.535 -14.944 1.00 0.00 O ATOM 14 CB PRO W 522 -9.973 3.516 -16.256 1.00 0.00 C ATOM 15 CG PRO W 522 -9.716 4.269 -17.515 1.00 0.00 C ATOM 16 CD PRO W 522 -11.043 4.833 -17.938 1.00 0.00 C ATOM 0 HA PRO W 522 -11.421 1.925 -16.755 1.00 0.00 H new ATOM 0 HB2 PRO W 522 -9.898 4.166 -15.384 1.00 0.00 H new ATOM 0 HB3 PRO W 522 -9.247 2.714 -16.119 1.00 0.00 H new ATOM 0 HG2 PRO W 522 -8.988 5.064 -17.353 1.00 0.00 H new ATOM 0 HG3 PRO W 522 -9.307 3.614 -18.285 1.00 0.00 H new ATOM 0 HD2 PRO W 522 -11.199 5.836 -17.540 1.00 0.00 H new ATOM 0 HD3 PRO W 522 -11.123 4.904 -19.023 1.00 0.00 H new ATOM 24 N LEU W 523 -11.514 2.320 -14.078 1.00 0.00 N ATOM 25 CA LEU W 523 -12.103 2.250 -12.747 1.00 0.00 C ATOM 26 C LEU W 523 -11.042 2.452 -11.670 1.00 0.00 C ATOM 27 O LEU W 523 -11.042 1.766 -10.648 1.00 0.00 O ATOM 28 CB LEU W 523 -12.800 0.902 -12.546 1.00 0.00 C ATOM 29 CG LEU W 523 -12.044 -0.305 -13.100 1.00 0.00 C ATOM 30 CD1 LEU W 523 -12.578 -1.592 -12.493 1.00 0.00 C ATOM 31 CD2 LEU W 523 -12.148 -0.345 -14.617 1.00 0.00 C ATOM 0 H LEU W 523 -10.618 1.841 -14.169 1.00 0.00 H new ATOM 0 HA LEU W 523 -12.839 3.049 -12.660 1.00 0.00 H new ATOM 0 HB2 LEU W 523 -12.964 0.750 -11.479 1.00 0.00 H new ATOM 0 HB3 LEU W 523 -13.782 0.944 -13.017 1.00 0.00 H new ATOM 0 HG LEU W 523 -10.992 -0.209 -12.829 1.00 0.00 H new ATOM 0 HD11 LEU W 523 -12.028 -2.441 -12.899 1.00 0.00 H new ATOM 0 HD12 LEU W 523 -12.453 -1.563 -11.411 1.00 0.00 H new ATOM 0 HD13 LEU W 523 -13.636 -1.696 -12.734 1.00 0.00 H new ATOM 0 HD21 LEU W 523 -11.604 -1.210 -14.996 1.00 0.00 H new ATOM 0 HD22 LEU W 523 -13.196 -0.419 -14.908 1.00 0.00 H new ATOM 0 HD23 LEU W 523 -11.718 0.565 -15.035 1.00 0.00 H new ATOM 43 N GLY W 524 -10.140 3.399 -11.906 1.00 0.00 N ATOM 44 CA GLY W 524 -9.087 3.675 -10.947 1.00 0.00 C ATOM 45 C GLY W 524 -9.311 4.973 -10.197 1.00 0.00 C ATOM 46 O GLY W 524 -8.800 5.156 -9.093 1.00 0.00 O ATOM 0 H GLY W 524 -10.120 3.980 -12.744 1.00 0.00 H new ATOM 0 HA2 GLY W 524 -9.025 2.853 -10.234 1.00 0.00 H new ATOM 0 HA3 GLY W 524 -8.130 3.720 -11.466 1.00 0.00 H new ATOM 50 N SER W 525 -10.079 5.877 -10.799 1.00 0.00 N ATOM 51 CA SER W 525 -10.371 7.165 -10.180 1.00 0.00 C ATOM 52 C SER W 525 -11.409 7.012 -9.072 1.00 0.00 C ATOM 53 O SER W 525 -12.601 7.230 -9.289 1.00 0.00 O ATOM 54 CB SER W 525 -10.869 8.159 -11.229 1.00 0.00 C ATOM 55 OG SER W 525 -10.613 9.494 -10.830 1.00 0.00 O ATOM 0 H SER W 525 -10.510 5.741 -11.714 1.00 0.00 H new ATOM 0 HA SER W 525 -9.449 7.546 -9.740 1.00 0.00 H new ATOM 0 HB2 SER W 525 -10.380 7.961 -12.183 1.00 0.00 H new ATOM 0 HB3 SER W 525 -11.939 8.022 -11.385 1.00 0.00 H new ATOM 0 HG SER W 525 -10.940 10.110 -11.519 1.00 0.00 H new ATOM 61 N GLY W 526 -10.946 6.635 -7.884 1.00 0.00 N ATOM 62 CA GLY W 526 -11.845 6.460 -6.759 1.00 0.00 C ATOM 63 C GLY W 526 -11.457 7.311 -5.568 1.00 0.00 C ATOM 64 O GLY W 526 -11.161 8.498 -5.714 1.00 0.00 O ATOM 0 H GLY W 526 -9.964 6.448 -7.681 1.00 0.00 H new ATOM 0 HA2 GLY W 526 -12.860 6.712 -7.066 1.00 0.00 H new ATOM 0 HA3 GLY W 526 -11.853 5.411 -6.464 1.00 0.00 H new ATOM 68 N GLU W 527 -11.455 6.706 -4.384 1.00 0.00 N ATOM 69 CA GLU W 527 -11.099 7.421 -3.164 1.00 0.00 C ATOM 70 C GLU W 527 -10.231 6.556 -2.256 1.00 0.00 C ATOM 71 O GLU W 527 -9.084 6.898 -1.969 1.00 0.00 O ATOM 72 CB GLU W 527 -12.361 7.860 -2.419 1.00 0.00 C ATOM 73 CG GLU W 527 -12.507 9.369 -2.311 1.00 0.00 C ATOM 74 CD GLU W 527 -11.469 9.990 -1.396 1.00 0.00 C ATOM 75 OE1 GLU W 527 -10.328 9.485 -1.363 1.00 0.00 O ATOM 76 OE2 GLU W 527 -11.800 10.981 -0.712 1.00 0.00 O ATOM 0 H GLU W 527 -11.695 5.725 -4.244 1.00 0.00 H new ATOM 0 HA GLU W 527 -10.526 8.304 -3.446 1.00 0.00 H new ATOM 0 HB2 GLU W 527 -13.234 7.454 -2.929 1.00 0.00 H new ATOM 0 HB3 GLU W 527 -12.349 7.431 -1.417 1.00 0.00 H new ATOM 0 HG2 GLU W 527 -12.422 9.811 -3.304 1.00 0.00 H new ATOM 0 HG3 GLU W 527 -13.503 9.609 -1.940 1.00 0.00 H new ATOM 83 N GLU W 528 -10.786 5.435 -1.805 1.00 0.00 N ATOM 84 CA GLU W 528 -10.060 4.524 -0.926 1.00 0.00 C ATOM 85 C GLU W 528 -10.224 3.077 -1.382 1.00 0.00 C ATOM 86 O GLU W 528 -11.337 2.554 -1.432 1.00 0.00 O ATOM 87 CB GLU W 528 -10.549 4.674 0.517 1.00 0.00 C ATOM 88 CG GLU W 528 -9.475 5.158 1.479 1.00 0.00 C ATOM 89 CD GLU W 528 -10.019 5.440 2.866 1.00 0.00 C ATOM 90 OE1 GLU W 528 -10.544 6.552 3.083 1.00 0.00 O ATOM 91 OE2 GLU W 528 -9.920 4.549 3.735 1.00 0.00 O ATOM 0 H GLU W 528 -11.734 5.136 -2.033 1.00 0.00 H new ATOM 0 HA GLU W 528 -9.002 4.783 -0.973 1.00 0.00 H new ATOM 0 HB2 GLU W 528 -11.385 5.374 0.537 1.00 0.00 H new ATOM 0 HB3 GLU W 528 -10.929 3.713 0.864 1.00 0.00 H new ATOM 0 HG2 GLU W 528 -8.688 4.407 1.547 1.00 0.00 H new ATOM 0 HG3 GLU W 528 -9.017 6.064 1.081 1.00 0.00 H new ATOM 98 N GLU W 529 -9.107 2.435 -1.709 1.00 0.00 N ATOM 99 CA GLU W 529 -9.125 1.046 -2.156 1.00 0.00 C ATOM 100 C GLU W 529 -8.640 0.121 -1.041 1.00 0.00 C ATOM 101 O GLU W 529 -7.899 0.546 -0.156 1.00 0.00 O ATOM 102 CB GLU W 529 -8.248 0.880 -3.401 1.00 0.00 C ATOM 103 CG GLU W 529 -8.875 0.021 -4.489 1.00 0.00 C ATOM 104 CD GLU W 529 -10.311 0.404 -4.789 1.00 0.00 C ATOM 105 OE1 GLU W 529 -10.588 1.614 -4.922 1.00 0.00 O ATOM 106 OE2 GLU W 529 -11.160 -0.508 -4.891 1.00 0.00 O ATOM 0 H GLU W 529 -8.178 2.854 -1.673 1.00 0.00 H new ATOM 0 HA GLU W 529 -10.150 0.776 -2.410 1.00 0.00 H new ATOM 0 HB2 GLU W 529 -8.028 1.865 -3.812 1.00 0.00 H new ATOM 0 HB3 GLU W 529 -7.296 0.438 -3.106 1.00 0.00 H new ATOM 0 HG2 GLU W 529 -8.283 0.108 -5.400 1.00 0.00 H new ATOM 0 HG3 GLU W 529 -8.839 -1.025 -4.185 1.00 0.00 H new ATOM 113 N PRO W 530 -9.057 -1.160 -1.058 1.00 0.00 N ATOM 114 CA PRO W 530 -8.671 -2.135 -0.042 1.00 0.00 C ATOM 115 C PRO W 530 -7.351 -2.836 -0.357 1.00 0.00 C ATOM 116 O PRO W 530 -7.153 -3.990 0.020 1.00 0.00 O ATOM 117 CB PRO W 530 -9.823 -3.153 -0.067 1.00 0.00 C ATOM 118 CG PRO W 530 -10.712 -2.761 -1.213 1.00 0.00 C ATOM 119 CD PRO W 530 -9.946 -1.769 -2.045 1.00 0.00 C ATOM 0 HA PRO W 530 -8.514 -1.658 0.925 1.00 0.00 H new ATOM 0 HB2 PRO W 530 -9.443 -4.166 -0.199 1.00 0.00 H new ATOM 0 HB3 PRO W 530 -10.374 -3.139 0.874 1.00 0.00 H new ATOM 0 HG2 PRO W 530 -10.983 -3.634 -1.807 1.00 0.00 H new ATOM 0 HG3 PRO W 530 -11.641 -2.322 -0.848 1.00 0.00 H new ATOM 0 HD2 PRO W 530 -9.391 -2.254 -2.848 1.00 0.00 H new ATOM 0 HD3 PRO W 530 -10.603 -1.034 -2.510 1.00 0.00 H new ATOM 127 N LEU W 531 -6.450 -2.139 -1.045 1.00 0.00 N ATOM 128 CA LEU W 531 -5.156 -2.710 -1.402 1.00 0.00 C ATOM 129 C LEU W 531 -5.337 -3.927 -2.306 1.00 0.00 C ATOM 130 O LEU W 531 -6.157 -4.800 -2.023 1.00 0.00 O ATOM 131 CB LEU W 531 -4.386 -3.109 -0.140 1.00 0.00 C ATOM 132 CG LEU W 531 -4.661 -2.239 1.089 1.00 0.00 C ATOM 133 CD1 LEU W 531 -3.837 -2.715 2.276 1.00 0.00 C ATOM 134 CD2 LEU W 531 -4.365 -0.779 0.783 1.00 0.00 C ATOM 0 H LEU W 531 -6.592 -1.181 -1.365 1.00 0.00 H new ATOM 0 HA LEU W 531 -4.586 -1.955 -1.943 1.00 0.00 H new ATOM 0 HB2 LEU W 531 -4.629 -4.143 0.104 1.00 0.00 H new ATOM 0 HB3 LEU W 531 -3.319 -3.076 -0.358 1.00 0.00 H new ATOM 0 HG LEU W 531 -5.716 -2.330 1.347 1.00 0.00 H new ATOM 0 HD11 LEU W 531 -4.046 -2.084 3.140 1.00 0.00 H new ATOM 0 HD12 LEU W 531 -4.097 -3.748 2.509 1.00 0.00 H new ATOM 0 HD13 LEU W 531 -2.777 -2.654 2.031 1.00 0.00 H new ATOM 0 HD21 LEU W 531 -4.566 -0.174 1.667 1.00 0.00 H new ATOM 0 HD22 LEU W 531 -3.318 -0.672 0.500 1.00 0.00 H new ATOM 0 HD23 LEU W 531 -4.999 -0.443 -0.038 1.00 0.00 H new ATOM 146 N PRO W 532 -4.584 -4.001 -3.419 1.00 0.00 N ATOM 147 CA PRO W 532 -4.683 -5.118 -4.361 1.00 0.00 C ATOM 148 C PRO W 532 -4.596 -6.484 -3.681 1.00 0.00 C ATOM 149 O PRO W 532 -4.594 -6.583 -2.454 1.00 0.00 O ATOM 150 CB PRO W 532 -3.496 -4.906 -5.294 1.00 0.00 C ATOM 151 CG PRO W 532 -3.248 -3.441 -5.255 1.00 0.00 C ATOM 152 CD PRO W 532 -3.593 -3.000 -3.856 1.00 0.00 C ATOM 0 HA PRO W 532 -5.647 -5.127 -4.869 1.00 0.00 H new ATOM 0 HB2 PRO W 532 -2.623 -5.465 -4.958 1.00 0.00 H new ATOM 0 HB3 PRO W 532 -3.721 -5.244 -6.306 1.00 0.00 H new ATOM 0 HG2 PRO W 532 -2.208 -3.215 -5.490 1.00 0.00 H new ATOM 0 HG3 PRO W 532 -3.862 -2.921 -5.991 1.00 0.00 H new ATOM 0 HD2 PRO W 532 -2.716 -2.993 -3.209 1.00 0.00 H new ATOM 0 HD3 PRO W 532 -4.007 -1.992 -3.843 1.00 0.00 H new ATOM 160 N PRO W 533 -4.558 -7.562 -4.482 1.00 0.00 N ATOM 161 CA PRO W 533 -4.513 -8.942 -3.977 1.00 0.00 C ATOM 162 C PRO W 533 -3.220 -9.334 -3.285 1.00 0.00 C ATOM 163 O PRO W 533 -3.154 -10.378 -2.636 1.00 0.00 O ATOM 164 CB PRO W 533 -4.678 -9.793 -5.236 1.00 0.00 C ATOM 165 CG PRO W 533 -5.192 -8.864 -6.282 1.00 0.00 C ATOM 166 CD PRO W 533 -4.601 -7.530 -5.952 1.00 0.00 C ATOM 0 HA PRO W 533 -5.279 -9.075 -3.213 1.00 0.00 H new ATOM 0 HB2 PRO W 533 -3.729 -10.236 -5.537 1.00 0.00 H new ATOM 0 HB3 PRO W 533 -5.373 -10.615 -5.065 1.00 0.00 H new ATOM 0 HG2 PRO W 533 -4.894 -9.190 -7.278 1.00 0.00 H new ATOM 0 HG3 PRO W 533 -6.281 -8.825 -6.272 1.00 0.00 H new ATOM 0 HD2 PRO W 533 -3.609 -7.406 -6.385 1.00 0.00 H new ATOM 0 HD3 PRO W 533 -5.215 -6.710 -6.323 1.00 0.00 H new ATOM 174 N ARG W 534 -2.193 -8.529 -3.433 1.00 0.00 N ATOM 175 CA ARG W 534 -0.911 -8.853 -2.819 1.00 0.00 C ATOM 176 C ARG W 534 -0.206 -7.615 -2.302 1.00 0.00 C ATOM 177 O ARG W 534 0.990 -7.435 -2.521 1.00 0.00 O ATOM 178 CB ARG W 534 -0.017 -9.581 -3.824 1.00 0.00 C ATOM 179 CG ARG W 534 -0.507 -10.978 -4.165 1.00 0.00 C ATOM 180 CD ARG W 534 -0.226 -11.958 -3.037 1.00 0.00 C ATOM 181 NE ARG W 534 -1.253 -12.992 -2.942 1.00 0.00 N ATOM 182 CZ ARG W 534 -1.305 -13.889 -1.962 1.00 0.00 C ATOM 183 NH1 ARG W 534 -0.391 -13.879 -1.003 1.00 0.00 N ATOM 184 NH2 ARG W 534 -2.271 -14.796 -1.944 1.00 0.00 N ATOM 0 H ARG W 534 -2.211 -7.657 -3.963 1.00 0.00 H new ATOM 0 HA ARG W 534 -1.108 -9.504 -1.967 1.00 0.00 H new ATOM 0 HB2 ARG W 534 0.044 -8.992 -4.739 1.00 0.00 H new ATOM 0 HB3 ARG W 534 0.993 -9.647 -3.420 1.00 0.00 H new ATOM 0 HG2 ARG W 534 -1.578 -10.950 -4.366 1.00 0.00 H new ATOM 0 HG3 ARG W 534 -0.021 -11.323 -5.077 1.00 0.00 H new ATOM 0 HD2 ARG W 534 0.746 -12.426 -3.197 1.00 0.00 H new ATOM 0 HD3 ARG W 534 -0.168 -11.417 -2.093 1.00 0.00 H new ATOM 0 HE ARG W 534 -1.970 -13.028 -3.667 1.00 0.00 H new ATOM 0 HH11 ARG W 534 0.354 -13.182 -1.016 1.00 0.00 H new ATOM 0 HH12 ARG W 534 -0.432 -14.568 -0.252 1.00 0.00 H new ATOM 0 HH21 ARG W 534 -2.975 -14.806 -2.682 1.00 0.00 H new ATOM 0 HH22 ARG W 534 -2.311 -15.484 -1.192 1.00 0.00 H new ATOM 198 N TRP W 535 -0.948 -6.758 -1.620 1.00 0.00 N ATOM 199 CA TRP W 535 -0.362 -5.537 -1.084 1.00 0.00 C ATOM 200 C TRP W 535 -0.915 -5.183 0.290 1.00 0.00 C ATOM 201 O TRP W 535 -1.892 -5.770 0.755 1.00 0.00 O ATOM 202 CB TRP W 535 -0.591 -4.379 -2.047 1.00 0.00 C ATOM 203 CG TRP W 535 0.067 -4.579 -3.375 1.00 0.00 C ATOM 204 CD1 TRP W 535 -0.257 -5.511 -4.317 1.00 0.00 C ATOM 205 CD2 TRP W 535 1.165 -3.834 -3.906 1.00 0.00 C ATOM 206 NE1 TRP W 535 0.567 -5.386 -5.407 1.00 0.00 N ATOM 207 CE2 TRP W 535 1.451 -4.362 -5.179 1.00 0.00 C ATOM 208 CE3 TRP W 535 1.933 -2.766 -3.430 1.00 0.00 C ATOM 209 CZ2 TRP W 535 2.473 -3.857 -5.980 1.00 0.00 C ATOM 210 CZ3 TRP W 535 2.946 -2.269 -4.226 1.00 0.00 C ATOM 211 CH2 TRP W 535 3.208 -2.813 -5.490 1.00 0.00 C ATOM 0 H TRP W 535 -1.942 -6.880 -1.426 1.00 0.00 H new ATOM 0 HA TRP W 535 0.707 -5.717 -0.970 1.00 0.00 H new ATOM 0 HB2 TRP W 535 -1.662 -4.245 -2.196 1.00 0.00 H new ATOM 0 HB3 TRP W 535 -0.215 -3.460 -1.597 1.00 0.00 H new ATOM 0 HD1 TRP W 535 -1.047 -6.241 -4.219 1.00 0.00 H new ATOM 0 HE1 TRP W 535 0.529 -5.960 -6.249 1.00 0.00 H new ATOM 0 HE3 TRP W 535 1.737 -2.338 -2.458 1.00 0.00 H new ATOM 0 HZ2 TRP W 535 2.678 -4.276 -6.954 1.00 0.00 H new ATOM 0 HZ3 TRP W 535 3.547 -1.446 -3.868 1.00 0.00 H new ATOM 0 HH2 TRP W 535 4.006 -2.400 -6.089 1.00 0.00 H new ATOM 222 N SER W 536 -0.272 -4.209 0.929 1.00 0.00 N ATOM 223 CA SER W 536 -0.676 -3.750 2.250 1.00 0.00 C ATOM 224 C SER W 536 -0.429 -2.253 2.391 1.00 0.00 C ATOM 225 O SER W 536 -0.328 -1.536 1.395 1.00 0.00 O ATOM 226 CB SER W 536 0.090 -4.510 3.334 1.00 0.00 C ATOM 227 OG SER W 536 -0.795 -5.096 4.272 1.00 0.00 O ATOM 0 H SER W 536 0.538 -3.720 0.547 1.00 0.00 H new ATOM 0 HA SER W 536 -1.742 -3.943 2.370 1.00 0.00 H new ATOM 0 HB2 SER W 536 0.702 -5.286 2.874 1.00 0.00 H new ATOM 0 HB3 SER W 536 0.770 -3.830 3.847 1.00 0.00 H new ATOM 0 HG SER W 536 -0.279 -5.577 4.952 1.00 0.00 H new ATOM 233 N MET W 537 -0.334 -1.783 3.629 1.00 0.00 N ATOM 234 CA MET W 537 -0.102 -0.369 3.886 1.00 0.00 C ATOM 235 C MET W 537 0.765 -0.175 5.125 1.00 0.00 C ATOM 236 O MET W 537 0.691 -0.954 6.075 1.00 0.00 O ATOM 237 CB MET W 537 -1.436 0.350 4.062 1.00 0.00 C ATOM 238 CG MET W 537 -2.218 0.499 2.767 1.00 0.00 C ATOM 239 SD MET W 537 -3.300 1.940 2.769 1.00 0.00 S ATOM 240 CE MET W 537 -2.101 3.261 2.603 1.00 0.00 C ATOM 0 H MET W 537 -0.414 -2.359 4.467 1.00 0.00 H new ATOM 0 HA MET W 537 0.427 0.055 3.032 1.00 0.00 H new ATOM 0 HB2 MET W 537 -2.043 -0.198 4.783 1.00 0.00 H new ATOM 0 HB3 MET W 537 -1.254 1.339 4.484 1.00 0.00 H new ATOM 0 HG2 MET W 537 -1.520 0.575 1.933 1.00 0.00 H new ATOM 0 HG3 MET W 537 -2.815 -0.398 2.603 1.00 0.00 H new ATOM 0 HE1 MET W 537 -2.598 4.160 2.238 1.00 0.00 H new ATOM 0 HE2 MET W 537 -1.648 3.466 3.573 1.00 0.00 H new ATOM 0 HE3 MET W 537 -1.326 2.962 1.897 1.00 0.00 H new ATOM 250 N GLN W 538 1.587 0.868 5.105 1.00 0.00 N ATOM 251 CA GLN W 538 2.470 1.163 6.225 1.00 0.00 C ATOM 252 C GLN W 538 3.102 2.544 6.073 1.00 0.00 C ATOM 253 O GLN W 538 3.534 2.924 4.985 1.00 0.00 O ATOM 254 CB GLN W 538 3.563 0.098 6.333 1.00 0.00 C ATOM 255 CG GLN W 538 4.612 0.406 7.388 1.00 0.00 C ATOM 256 CD GLN W 538 5.512 -0.778 7.676 1.00 0.00 C ATOM 257 OE1 GLN W 538 6.169 -1.306 6.778 1.00 0.00 O ATOM 258 NE2 GLN W 538 5.547 -1.202 8.933 1.00 0.00 N ATOM 0 H GLN W 538 1.660 1.522 4.326 1.00 0.00 H new ATOM 0 HA GLN W 538 1.873 1.156 7.137 1.00 0.00 H new ATOM 0 HB2 GLN W 538 3.101 -0.862 6.562 1.00 0.00 H new ATOM 0 HB3 GLN W 538 4.053 -0.007 5.365 1.00 0.00 H new ATOM 0 HG2 GLN W 538 5.220 1.248 7.056 1.00 0.00 H new ATOM 0 HG3 GLN W 538 4.117 0.714 8.309 1.00 0.00 H new ATOM 0 HE21 GLN W 538 4.986 -0.734 9.645 1.00 0.00 H new ATOM 0 HE22 GLN W 538 6.135 -1.996 9.187 1.00 0.00 H new ATOM 267 N VAL W 539 3.154 3.287 7.174 1.00 0.00 N ATOM 268 CA VAL W 539 3.737 4.625 7.167 1.00 0.00 C ATOM 269 C VAL W 539 5.244 4.561 7.377 1.00 0.00 C ATOM 270 O VAL W 539 5.726 3.896 8.295 1.00 0.00 O ATOM 271 CB VAL W 539 3.115 5.516 8.258 1.00 0.00 C ATOM 272 CG1 VAL W 539 3.627 6.944 8.138 1.00 0.00 C ATOM 273 CG2 VAL W 539 1.597 5.478 8.178 1.00 0.00 C ATOM 0 H VAL W 539 2.800 2.986 8.082 1.00 0.00 H new ATOM 0 HA VAL W 539 3.524 5.061 6.191 1.00 0.00 H new ATOM 0 HB VAL W 539 3.414 5.128 9.232 1.00 0.00 H new ATOM 0 HG11 VAL W 539 3.176 7.559 8.917 1.00 0.00 H new ATOM 0 HG12 VAL W 539 4.711 6.952 8.251 1.00 0.00 H new ATOM 0 HG13 VAL W 539 3.361 7.345 7.160 1.00 0.00 H new ATOM 0 HG21 VAL W 539 1.176 6.114 8.957 1.00 0.00 H new ATOM 0 HG22 VAL W 539 1.275 5.839 7.201 1.00 0.00 H new ATOM 0 HG23 VAL W 539 1.251 4.454 8.319 1.00 0.00 H new ATOM 283 N ALA W 540 5.984 5.247 6.516 1.00 0.00 N ATOM 284 CA ALA W 540 7.436 5.263 6.602 1.00 0.00 C ATOM 285 C ALA W 540 7.939 6.540 7.268 1.00 0.00 C ATOM 286 O ALA W 540 7.328 7.601 7.134 1.00 0.00 O ATOM 287 CB ALA W 540 8.043 5.111 5.216 1.00 0.00 C ATOM 0 H ALA W 540 5.601 5.800 5.749 1.00 0.00 H new ATOM 0 HA ALA W 540 7.748 4.422 7.221 1.00 0.00 H new ATOM 0 HB1 ALA W 540 9.130 5.124 5.292 1.00 0.00 H new ATOM 0 HB2 ALA W 540 7.721 4.166 4.779 1.00 0.00 H new ATOM 0 HB3 ALA W 540 7.713 5.934 4.582 1.00 0.00 H new ATOM 293 N PRO W 541 9.073 6.459 7.986 1.00 0.00 N ATOM 294 CA PRO W 541 9.662 7.618 8.661 1.00 0.00 C ATOM 295 C PRO W 541 9.995 8.730 7.675 1.00 0.00 C ATOM 296 O PRO W 541 10.092 9.899 8.047 1.00 0.00 O ATOM 297 CB PRO W 541 10.942 7.063 9.301 1.00 0.00 C ATOM 298 CG PRO W 541 11.216 5.784 8.585 1.00 0.00 C ATOM 299 CD PRO W 541 9.875 5.242 8.182 1.00 0.00 C ATOM 0 HA PRO W 541 8.980 8.061 9.386 1.00 0.00 H new ATOM 0 HB2 PRO W 541 11.772 7.761 9.191 1.00 0.00 H new ATOM 0 HB3 PRO W 541 10.807 6.895 10.369 1.00 0.00 H new ATOM 0 HG2 PRO W 541 11.847 5.952 7.713 1.00 0.00 H new ATOM 0 HG3 PRO W 541 11.744 5.081 9.229 1.00 0.00 H new ATOM 0 HD2 PRO W 541 9.937 4.648 7.270 1.00 0.00 H new ATOM 0 HD3 PRO W 541 9.451 4.599 8.953 1.00 0.00 H new ATOM 307 N ASN W 542 10.162 8.353 6.410 1.00 0.00 N ATOM 308 CA ASN W 542 10.477 9.308 5.357 1.00 0.00 C ATOM 309 C ASN W 542 9.523 10.497 5.403 1.00 0.00 C ATOM 310 O ASN W 542 9.941 11.647 5.277 1.00 0.00 O ATOM 311 CB ASN W 542 10.392 8.620 3.993 1.00 0.00 C ATOM 312 CG ASN W 542 11.044 9.424 2.887 1.00 0.00 C ATOM 313 OD1 ASN W 542 11.933 10.239 3.136 1.00 0.00 O ATOM 314 ND2 ASN W 542 10.603 9.196 1.656 1.00 0.00 N ATOM 0 H ASN W 542 10.083 7.387 6.091 1.00 0.00 H new ATOM 0 HA ASN W 542 11.491 9.676 5.513 1.00 0.00 H new ATOM 0 HB2 ASN W 542 10.869 7.642 4.054 1.00 0.00 H new ATOM 0 HB3 ASN W 542 9.345 8.449 3.742 1.00 0.00 H new ATOM 0 HD21 ASN W 542 11.003 9.706 0.868 1.00 0.00 H new ATOM 0 HD22 ASN W 542 9.864 8.511 1.498 1.00 0.00 H new ATOM 321 N GLY W 543 8.238 10.209 5.586 1.00 0.00 N ATOM 322 CA GLY W 543 7.243 11.263 5.646 1.00 0.00 C ATOM 323 C GLY W 543 5.958 10.896 4.929 1.00 0.00 C ATOM 324 O GLY W 543 4.936 11.560 5.103 1.00 0.00 O ATOM 0 H GLY W 543 7.869 9.264 5.694 1.00 0.00 H new ATOM 0 HA2 GLY W 543 7.021 11.488 6.689 1.00 0.00 H new ATOM 0 HA3 GLY W 543 7.654 12.171 5.204 1.00 0.00 H new ATOM 328 N ARG W 544 6.004 9.841 4.120 1.00 0.00 N ATOM 329 CA ARG W 544 4.829 9.400 3.380 1.00 0.00 C ATOM 330 C ARG W 544 4.608 7.902 3.538 1.00 0.00 C ATOM 331 O ARG W 544 5.545 7.148 3.794 1.00 0.00 O ATOM 332 CB ARG W 544 4.967 9.757 1.898 1.00 0.00 C ATOM 333 CG ARG W 544 5.949 8.876 1.140 1.00 0.00 C ATOM 334 CD ARG W 544 7.173 9.660 0.700 1.00 0.00 C ATOM 335 NE ARG W 544 6.892 10.506 -0.457 1.00 0.00 N ATOM 336 CZ ARG W 544 7.633 11.553 -0.800 1.00 0.00 C ATOM 337 NH1 ARG W 544 8.692 11.885 -0.074 1.00 0.00 N ATOM 338 NH2 ARG W 544 7.317 12.270 -1.869 1.00 0.00 N ATOM 0 H ARG W 544 6.840 9.278 3.962 1.00 0.00 H new ATOM 0 HA ARG W 544 3.962 9.917 3.791 1.00 0.00 H new ATOM 0 HB2 ARG W 544 3.988 9.684 1.424 1.00 0.00 H new ATOM 0 HB3 ARG W 544 5.286 10.796 1.813 1.00 0.00 H new ATOM 0 HG2 ARG W 544 6.257 8.044 1.773 1.00 0.00 H new ATOM 0 HG3 ARG W 544 5.457 8.448 0.267 1.00 0.00 H new ATOM 0 HD2 ARG W 544 7.523 10.279 1.526 1.00 0.00 H new ATOM 0 HD3 ARG W 544 7.979 8.968 0.456 1.00 0.00 H new ATOM 0 HE ARG W 544 6.081 10.280 -1.034 1.00 0.00 H new ATOM 0 HH11 ARG W 544 8.938 11.336 0.749 1.00 0.00 H new ATOM 0 HH12 ARG W 544 9.260 12.690 -0.339 1.00 0.00 H new ATOM 0 HH21 ARG W 544 6.503 12.018 -2.430 1.00 0.00 H new ATOM 0 HH22 ARG W 544 7.888 13.074 -2.131 1.00 0.00 H new ATOM 352 N THR W 545 3.362 7.477 3.367 1.00 0.00 N ATOM 353 CA THR W 545 3.021 6.069 3.473 1.00 0.00 C ATOM 354 C THR W 545 3.422 5.339 2.206 1.00 0.00 C ATOM 355 O THR W 545 3.367 5.901 1.112 1.00 0.00 O ATOM 356 CB THR W 545 1.517 5.856 3.708 1.00 0.00 C ATOM 357 OG1 THR W 545 0.778 6.980 3.216 1.00 0.00 O ATOM 358 CG2 THR W 545 1.223 5.655 5.187 1.00 0.00 C ATOM 0 H THR W 545 2.574 8.089 3.155 1.00 0.00 H new ATOM 0 HA THR W 545 3.565 5.673 4.330 1.00 0.00 H new ATOM 0 HB THR W 545 1.212 4.959 3.169 1.00 0.00 H new ATOM 0 HG1 THR W 545 -0.179 6.834 3.369 1.00 0.00 H new ATOM 0 HG21 THR W 545 0.152 5.506 5.328 1.00 0.00 H new ATOM 0 HG22 THR W 545 1.762 4.780 5.549 1.00 0.00 H new ATOM 0 HG23 THR W 545 1.544 6.535 5.745 1.00 0.00 H new ATOM 366 N PHE W 546 3.825 4.089 2.350 1.00 0.00 N ATOM 367 CA PHE W 546 4.232 3.301 1.202 1.00 0.00 C ATOM 368 C PHE W 546 3.348 2.073 1.038 1.00 0.00 C ATOM 369 O PHE W 546 2.592 1.711 1.938 1.00 0.00 O ATOM 370 CB PHE W 546 5.696 2.890 1.332 1.00 0.00 C ATOM 371 CG PHE W 546 6.040 2.278 2.659 1.00 0.00 C ATOM 372 CD1 PHE W 546 6.134 3.063 3.798 1.00 0.00 C ATOM 373 CD2 PHE W 546 6.276 0.916 2.764 1.00 0.00 C ATOM 374 CE1 PHE W 546 6.457 2.497 5.018 1.00 0.00 C ATOM 375 CE2 PHE W 546 6.598 0.347 3.981 1.00 0.00 C ATOM 376 CZ PHE W 546 6.690 1.137 5.108 1.00 0.00 C ATOM 0 H PHE W 546 3.879 3.601 3.244 1.00 0.00 H new ATOM 0 HA PHE W 546 4.119 3.919 0.311 1.00 0.00 H new ATOM 0 HB2 PHE W 546 5.935 2.178 0.542 1.00 0.00 H new ATOM 0 HB3 PHE W 546 6.325 3.766 1.173 1.00 0.00 H new ATOM 0 HD1 PHE W 546 5.953 4.126 3.732 1.00 0.00 H new ATOM 0 HD2 PHE W 546 6.207 0.293 1.885 1.00 0.00 H new ATOM 0 HE1 PHE W 546 6.527 3.117 5.900 1.00 0.00 H new ATOM 0 HE2 PHE W 546 6.778 -0.716 4.050 1.00 0.00 H new ATOM 0 HZ PHE W 546 6.944 0.694 6.060 1.00 0.00 H new ATOM 386 N PHE W 547 3.441 1.444 -0.126 1.00 0.00 N ATOM 387 CA PHE W 547 2.643 0.262 -0.420 1.00 0.00 C ATOM 388 C PHE W 547 3.506 -0.981 -0.500 1.00 0.00 C ATOM 389 O PHE W 547 4.446 -1.055 -1.291 1.00 0.00 O ATOM 390 CB PHE W 547 1.877 0.447 -1.729 1.00 0.00 C ATOM 391 CG PHE W 547 0.388 0.525 -1.543 1.00 0.00 C ATOM 392 CD1 PHE W 547 -0.384 -0.622 -1.574 1.00 0.00 C ATOM 393 CD2 PHE W 547 -0.236 1.746 -1.336 1.00 0.00 C ATOM 394 CE1 PHE W 547 -1.754 -0.558 -1.400 1.00 0.00 C ATOM 395 CE2 PHE W 547 -1.605 1.817 -1.163 1.00 0.00 C ATOM 396 CZ PHE W 547 -2.365 0.664 -1.196 1.00 0.00 C ATOM 0 H PHE W 547 4.062 1.733 -0.882 1.00 0.00 H new ATOM 0 HA PHE W 547 1.932 0.132 0.396 1.00 0.00 H new ATOM 0 HB2 PHE W 547 2.223 1.358 -2.218 1.00 0.00 H new ATOM 0 HB3 PHE W 547 2.109 -0.382 -2.398 1.00 0.00 H new ATOM 0 HD1 PHE W 547 0.089 -1.579 -1.736 1.00 0.00 H new ATOM 0 HD2 PHE W 547 0.354 2.650 -1.310 1.00 0.00 H new ATOM 0 HE1 PHE W 547 -2.345 -1.461 -1.424 1.00 0.00 H new ATOM 0 HE2 PHE W 547 -2.080 2.773 -1.002 1.00 0.00 H new ATOM 0 HZ PHE W 547 -3.435 0.718 -1.063 1.00 0.00 H new ATOM 406 N ILE W 548 3.169 -1.959 0.323 1.00 0.00 N ATOM 407 CA ILE W 548 3.895 -3.210 0.352 1.00 0.00 C ATOM 408 C ILE W 548 3.391 -4.141 -0.743 1.00 0.00 C ATOM 409 O ILE W 548 2.204 -4.155 -1.065 1.00 0.00 O ATOM 410 CB ILE W 548 3.764 -3.891 1.727 1.00 0.00 C ATOM 411 CG1 ILE W 548 4.395 -3.006 2.801 1.00 0.00 C ATOM 412 CG2 ILE W 548 4.416 -5.268 1.720 1.00 0.00 C ATOM 413 CD1 ILE W 548 3.433 -2.601 3.896 1.00 0.00 C ATOM 0 H ILE W 548 2.392 -1.907 0.982 1.00 0.00 H new ATOM 0 HA ILE W 548 4.949 -2.993 0.175 1.00 0.00 H new ATOM 0 HB ILE W 548 2.705 -4.025 1.949 1.00 0.00 H new ATOM 0 HG12 ILE W 548 5.237 -3.535 3.247 1.00 0.00 H new ATOM 0 HG13 ILE W 548 4.795 -2.108 2.331 1.00 0.00 H new ATOM 0 HG21 ILE W 548 4.309 -5.726 2.703 1.00 0.00 H new ATOM 0 HG22 ILE W 548 3.932 -5.896 0.972 1.00 0.00 H new ATOM 0 HG23 ILE W 548 5.474 -5.168 1.480 1.00 0.00 H new ATOM 0 HD11 ILE W 548 3.951 -1.974 4.622 1.00 0.00 H new ATOM 0 HD12 ILE W 548 2.602 -2.044 3.463 1.00 0.00 H new ATOM 0 HD13 ILE W 548 3.051 -3.493 4.393 1.00 0.00 H new ATOM 425 N ASP W 549 4.307 -4.902 -1.315 1.00 0.00 N ATOM 426 CA ASP W 549 3.976 -5.835 -2.384 1.00 0.00 C ATOM 427 C ASP W 549 4.401 -7.253 -2.016 1.00 0.00 C ATOM 428 O ASP W 549 5.588 -7.536 -1.859 1.00 0.00 O ATOM 429 CB ASP W 549 4.655 -5.403 -3.685 1.00 0.00 C ATOM 430 CG ASP W 549 4.405 -6.373 -4.823 1.00 0.00 C ATOM 431 OD1 ASP W 549 3.714 -7.387 -4.598 1.00 0.00 O ATOM 432 OD2 ASP W 549 4.899 -6.116 -5.941 1.00 0.00 O ATOM 0 H ASP W 549 5.294 -4.894 -1.057 1.00 0.00 H new ATOM 0 HA ASP W 549 2.895 -5.827 -2.526 1.00 0.00 H new ATOM 0 HB2 ASP W 549 4.293 -4.415 -3.969 1.00 0.00 H new ATOM 0 HB3 ASP W 549 5.728 -5.313 -3.518 1.00 0.00 H new ATOM 437 N HIS W 550 3.422 -8.143 -1.880 1.00 0.00 N ATOM 438 CA HIS W 550 3.696 -9.532 -1.530 1.00 0.00 C ATOM 439 C HIS W 550 4.154 -10.319 -2.752 1.00 0.00 C ATOM 440 O HIS W 550 4.923 -11.274 -2.635 1.00 0.00 O ATOM 441 CB HIS W 550 2.450 -10.179 -0.921 1.00 0.00 C ATOM 442 CG HIS W 550 1.963 -9.485 0.311 1.00 0.00 C ATOM 443 ND1 HIS W 550 1.532 -10.189 1.408 1.00 0.00 N ATOM 444 CD2 HIS W 550 1.861 -8.158 0.568 1.00 0.00 C ATOM 445 CE1 HIS W 550 1.182 -9.283 2.304 1.00 0.00 C ATOM 446 NE2 HIS W 550 1.363 -8.037 1.840 1.00 0.00 N ATOM 0 H HIS W 550 2.433 -7.927 -2.007 1.00 0.00 H new ATOM 0 HA HIS W 550 4.499 -9.547 -0.793 1.00 0.00 H new ATOM 0 HB2 HIS W 550 1.653 -10.186 -1.664 1.00 0.00 H new ATOM 0 HB3 HIS W 550 2.670 -11.219 -0.680 1.00 0.00 H new ATOM 0 HD1 HIS W 550 1.490 -11.203 1.510 1.00 0.00 H new ATOM 0 HD2 HIS W 550 2.122 -7.351 -0.101 1.00 0.00 H new ATOM 0 HE1 HIS W 550 0.798 -9.516 3.286 1.00 0.00 H new ATOM 454 N ALA W 551 3.681 -9.911 -3.924 1.00 0.00 N ATOM 455 CA ALA W 551 4.047 -10.577 -5.168 1.00 0.00 C ATOM 456 C ALA W 551 5.562 -10.689 -5.299 1.00 0.00 C ATOM 457 O ALA W 551 6.091 -11.748 -5.638 1.00 0.00 O ATOM 458 CB ALA W 551 3.468 -9.827 -6.357 1.00 0.00 C ATOM 0 H ALA W 551 3.044 -9.123 -4.039 1.00 0.00 H new ATOM 0 HA ALA W 551 3.631 -11.585 -5.151 1.00 0.00 H new ATOM 0 HB1 ALA W 551 3.749 -10.335 -7.280 1.00 0.00 H new ATOM 0 HB2 ALA W 551 2.381 -9.798 -6.275 1.00 0.00 H new ATOM 0 HB3 ALA W 551 3.858 -8.809 -6.370 1.00 0.00 H new ATOM 464 N SER W 552 6.255 -9.589 -5.021 1.00 0.00 N ATOM 465 CA SER W 552 7.711 -9.560 -5.101 1.00 0.00 C ATOM 466 C SER W 552 8.345 -9.365 -3.722 1.00 0.00 C ATOM 467 O SER W 552 9.568 -9.398 -3.590 1.00 0.00 O ATOM 468 CB SER W 552 8.169 -8.440 -6.036 1.00 0.00 C ATOM 469 OG SER W 552 9.180 -8.895 -6.919 1.00 0.00 O ATOM 0 H SER W 552 5.831 -8.705 -4.738 1.00 0.00 H new ATOM 0 HA SER W 552 8.037 -10.522 -5.496 1.00 0.00 H new ATOM 0 HB2 SER W 552 7.319 -8.071 -6.610 1.00 0.00 H new ATOM 0 HB3 SER W 552 8.545 -7.602 -5.449 1.00 0.00 H new ATOM 0 HG SER W 552 9.455 -8.161 -7.507 1.00 0.00 H new ATOM 475 N ARG W 553 7.516 -9.156 -2.700 1.00 0.00 N ATOM 476 CA ARG W 553 8.011 -8.952 -1.345 1.00 0.00 C ATOM 477 C ARG W 553 8.820 -7.662 -1.248 1.00 0.00 C ATOM 478 O ARG W 553 9.934 -7.655 -0.725 1.00 0.00 O ATOM 479 CB ARG W 553 8.872 -10.138 -0.905 1.00 0.00 C ATOM 480 CG ARG W 553 8.117 -11.455 -0.860 1.00 0.00 C ATOM 481 CD ARG W 553 6.893 -11.365 0.037 1.00 0.00 C ATOM 482 NE ARG W 553 6.882 -12.414 1.051 1.00 0.00 N ATOM 483 CZ ARG W 553 5.859 -12.636 1.870 1.00 0.00 C ATOM 484 NH1 ARG W 553 4.770 -11.882 1.793 1.00 0.00 N ATOM 485 NH2 ARG W 553 5.924 -13.613 2.765 1.00 0.00 N ATOM 0 H ARG W 553 6.500 -9.124 -2.787 1.00 0.00 H new ATOM 0 HA ARG W 553 7.149 -8.872 -0.682 1.00 0.00 H new ATOM 0 HB2 ARG W 553 9.716 -10.236 -1.587 1.00 0.00 H new ATOM 0 HB3 ARG W 553 9.283 -9.931 0.083 1.00 0.00 H new ATOM 0 HG2 ARG W 553 7.811 -11.735 -1.868 1.00 0.00 H new ATOM 0 HG3 ARG W 553 8.778 -12.242 -0.498 1.00 0.00 H new ATOM 0 HD2 ARG W 553 6.871 -10.390 0.524 1.00 0.00 H new ATOM 0 HD3 ARG W 553 5.991 -11.439 -0.571 1.00 0.00 H new ATOM 0 HE ARG W 553 7.705 -13.010 1.136 1.00 0.00 H new ATOM 0 HH11 ARG W 553 4.717 -11.131 1.105 1.00 0.00 H new ATOM 0 HH12 ARG W 553 3.986 -12.053 2.422 1.00 0.00 H new ATOM 0 HH21 ARG W 553 6.760 -14.195 2.825 1.00 0.00 H new ATOM 0 HH22 ARG W 553 5.138 -13.782 3.393 1.00 0.00 H new ATOM 499 N ARG W 554 8.255 -6.573 -1.756 1.00 0.00 N ATOM 500 CA ARG W 554 8.927 -5.280 -1.728 1.00 0.00 C ATOM 501 C ARG W 554 7.936 -4.156 -1.443 1.00 0.00 C ATOM 502 O ARG W 554 6.775 -4.408 -1.136 1.00 0.00 O ATOM 503 CB ARG W 554 9.639 -5.029 -3.056 1.00 0.00 C ATOM 504 CG ARG W 554 10.729 -6.044 -3.365 1.00 0.00 C ATOM 505 CD ARG W 554 10.915 -6.224 -4.862 1.00 0.00 C ATOM 506 NE ARG W 554 11.998 -5.393 -5.381 1.00 0.00 N ATOM 507 CZ ARG W 554 13.283 -5.727 -5.305 1.00 0.00 C ATOM 508 NH1 ARG W 554 13.641 -6.865 -4.727 1.00 0.00 N ATOM 509 NH2 ARG W 554 14.210 -4.922 -5.805 1.00 0.00 N ATOM 0 H ARG W 554 7.333 -6.560 -2.192 1.00 0.00 H new ATOM 0 HA ARG W 554 9.664 -5.296 -0.925 1.00 0.00 H new ATOM 0 HB2 ARG W 554 8.904 -5.042 -3.861 1.00 0.00 H new ATOM 0 HB3 ARG W 554 10.077 -4.031 -3.041 1.00 0.00 H new ATOM 0 HG2 ARG W 554 11.668 -5.719 -2.917 1.00 0.00 H new ATOM 0 HG3 ARG W 554 10.475 -7.002 -2.911 1.00 0.00 H new ATOM 0 HD2 ARG W 554 11.126 -7.271 -5.078 1.00 0.00 H new ATOM 0 HD3 ARG W 554 9.987 -5.973 -5.376 1.00 0.00 H new ATOM 0 HE ARG W 554 11.756 -4.508 -5.826 1.00 0.00 H new ATOM 0 HH11 ARG W 554 12.930 -7.486 -4.340 1.00 0.00 H new ATOM 0 HH12 ARG W 554 14.627 -7.120 -4.670 1.00 0.00 H new ATOM 0 HH21 ARG W 554 13.938 -4.045 -6.249 1.00 0.00 H new ATOM 0 HH22 ARG W 554 15.195 -5.180 -5.746 1.00 0.00 H new ATOM 523 N THR W 555 8.399 -2.913 -1.545 1.00 0.00 N ATOM 524 CA THR W 555 7.543 -1.760 -1.296 1.00 0.00 C ATOM 525 C THR W 555 7.742 -0.680 -2.353 1.00 0.00 C ATOM 526 O THR W 555 8.504 -0.859 -3.303 1.00 0.00 O ATOM 527 CB THR W 555 7.806 -1.149 0.093 1.00 0.00 C ATOM 528 OG1 THR W 555 9.129 -0.605 0.146 1.00 0.00 O ATOM 529 CG2 THR W 555 7.637 -2.192 1.186 1.00 0.00 C ATOM 0 H THR W 555 9.359 -2.680 -1.798 1.00 0.00 H new ATOM 0 HA THR W 555 6.516 -2.123 -1.339 1.00 0.00 H new ATOM 0 HB THR W 555 7.079 -0.354 0.258 1.00 0.00 H new ATOM 0 HG1 THR W 555 9.288 -0.217 1.032 1.00 0.00 H new ATOM 0 HG21 THR W 555 7.828 -1.736 2.157 1.00 0.00 H new ATOM 0 HG22 THR W 555 6.620 -2.582 1.162 1.00 0.00 H new ATOM 0 HG23 THR W 555 8.342 -3.007 1.023 1.00 0.00 H new ATOM 537 N THR W 556 7.051 0.441 -2.175 1.00 0.00 N ATOM 538 CA THR W 556 7.149 1.556 -3.108 1.00 0.00 C ATOM 539 C THR W 556 6.366 2.764 -2.606 1.00 0.00 C ATOM 540 O THR W 556 5.557 2.654 -1.685 1.00 0.00 O ATOM 541 CB THR W 556 6.626 1.174 -4.505 1.00 0.00 C ATOM 542 OG1 THR W 556 6.301 2.355 -5.248 1.00 0.00 O ATOM 543 CG2 THR W 556 5.397 0.282 -4.398 1.00 0.00 C ATOM 0 H THR W 556 6.417 0.601 -1.392 1.00 0.00 H new ATOM 0 HA THR W 556 8.207 1.810 -3.180 1.00 0.00 H new ATOM 0 HB THR W 556 7.411 0.624 -5.024 1.00 0.00 H new ATOM 0 HG1 THR W 556 5.971 2.103 -6.136 1.00 0.00 H new ATOM 0 HG21 THR W 556 5.046 0.025 -5.397 1.00 0.00 H new ATOM 0 HG22 THR W 556 5.655 -0.629 -3.859 1.00 0.00 H new ATOM 0 HG23 THR W 556 4.609 0.811 -3.861 1.00 0.00 H new ATOM 551 N TRP W 557 6.614 3.915 -3.220 1.00 0.00 N ATOM 552 CA TRP W 557 5.936 5.150 -2.841 1.00 0.00 C ATOM 553 C TRP W 557 4.666 5.359 -3.654 1.00 0.00 C ATOM 554 O TRP W 557 4.166 6.478 -3.757 1.00 0.00 O ATOM 555 CB TRP W 557 6.860 6.344 -3.054 1.00 0.00 C ATOM 556 CG TRP W 557 8.053 6.344 -2.157 1.00 0.00 C ATOM 557 CD1 TRP W 557 9.358 6.480 -2.528 1.00 0.00 C ATOM 558 CD2 TRP W 557 8.048 6.201 -0.738 1.00 0.00 C ATOM 559 NE1 TRP W 557 10.168 6.434 -1.418 1.00 0.00 N ATOM 560 CE2 TRP W 557 9.384 6.263 -0.307 1.00 0.00 C ATOM 561 CE3 TRP W 557 7.039 6.029 0.209 1.00 0.00 C ATOM 562 CZ2 TRP W 557 9.738 6.158 1.035 1.00 0.00 C ATOM 563 CZ3 TRP W 557 7.390 5.925 1.542 1.00 0.00 C ATOM 564 CH2 TRP W 557 8.729 5.991 1.945 1.00 0.00 C ATOM 0 H TRP W 557 7.281 4.019 -3.984 1.00 0.00 H new ATOM 0 HA TRP W 557 5.669 5.067 -1.787 1.00 0.00 H new ATOM 0 HB2 TRP W 557 7.196 6.353 -4.091 1.00 0.00 H new ATOM 0 HB3 TRP W 557 6.296 7.263 -2.894 1.00 0.00 H new ATOM 0 HD1 TRP W 557 9.704 6.605 -3.543 1.00 0.00 H new ATOM 0 HE1 TRP W 557 11.185 6.514 -1.421 1.00 0.00 H new ATOM 0 HE3 TRP W 557 6.003 5.978 -0.093 1.00 0.00 H new ATOM 0 HZ2 TRP W 557 10.771 6.206 1.347 1.00 0.00 H new ATOM 0 HZ3 TRP W 557 6.618 5.791 2.285 1.00 0.00 H new ATOM 0 HH2 TRP W 557 8.971 5.909 2.994 1.00 0.00 H new ATOM 575 N ILE W 558 4.155 4.290 -4.250 1.00 0.00 N ATOM 576 CA ILE W 558 2.955 4.391 -5.068 1.00 0.00 C ATOM 577 C ILE W 558 1.943 3.306 -4.725 1.00 0.00 C ATOM 578 O ILE W 558 2.306 2.156 -4.476 1.00 0.00 O ATOM 579 CB ILE W 558 3.308 4.308 -6.563 1.00 0.00 C ATOM 580 CG1 ILE W 558 4.516 5.206 -6.865 1.00 0.00 C ATOM 581 CG2 ILE W 558 2.107 4.692 -7.418 1.00 0.00 C ATOM 582 CD1 ILE W 558 4.175 6.678 -6.986 1.00 0.00 C ATOM 0 H ILE W 558 4.549 3.351 -4.183 1.00 0.00 H new ATOM 0 HA ILE W 558 2.504 5.360 -4.854 1.00 0.00 H new ATOM 0 HB ILE W 558 3.574 3.280 -6.810 1.00 0.00 H new ATOM 0 HG12 ILE W 558 5.257 5.079 -6.075 1.00 0.00 H new ATOM 0 HG13 ILE W 558 4.980 4.873 -7.794 1.00 0.00 H new ATOM 0 HG21 ILE W 558 2.376 4.627 -8.472 1.00 0.00 H new ATOM 0 HG22 ILE W 558 1.281 4.011 -7.212 1.00 0.00 H new ATOM 0 HG23 ILE W 558 1.804 5.712 -7.183 1.00 0.00 H new ATOM 0 HD11 ILE W 558 5.081 7.245 -7.200 1.00 0.00 H new ATOM 0 HD12 ILE W 558 3.459 6.820 -7.795 1.00 0.00 H new ATOM 0 HD13 ILE W 558 3.740 7.029 -6.050 1.00 0.00 H new ATOM 594 N ASP W 559 0.670 3.687 -4.712 1.00 0.00 N ATOM 595 CA ASP W 559 -0.407 2.758 -4.398 1.00 0.00 C ATOM 596 C ASP W 559 -0.992 2.150 -5.674 1.00 0.00 C ATOM 597 O ASP W 559 -1.641 2.846 -6.455 1.00 0.00 O ATOM 598 CB ASP W 559 -1.506 3.480 -3.614 1.00 0.00 C ATOM 599 CG ASP W 559 -1.931 4.778 -4.272 1.00 0.00 C ATOM 600 OD1 ASP W 559 -1.497 5.035 -5.414 1.00 0.00 O ATOM 601 OD2 ASP W 559 -2.700 5.538 -3.645 1.00 0.00 O ATOM 0 H ASP W 559 0.359 4.637 -4.916 1.00 0.00 H new ATOM 0 HA ASP W 559 0.002 1.952 -3.789 1.00 0.00 H new ATOM 0 HB2 ASP W 559 -2.371 2.824 -3.519 1.00 0.00 H new ATOM 0 HB3 ASP W 559 -1.151 3.687 -2.604 1.00 0.00 H new ATOM 606 N PRO W 560 -0.772 0.842 -5.912 1.00 0.00 N ATOM 607 CA PRO W 560 -1.285 0.169 -7.107 1.00 0.00 C ATOM 608 C PRO W 560 -2.775 0.415 -7.312 1.00 0.00 C ATOM 609 O PRO W 560 -3.258 0.457 -8.445 1.00 0.00 O ATOM 610 CB PRO W 560 -1.020 -1.322 -6.851 1.00 0.00 C ATOM 611 CG PRO W 560 -0.539 -1.427 -5.439 1.00 0.00 C ATOM 612 CD PRO W 560 -0.010 -0.075 -5.054 1.00 0.00 C ATOM 0 HA PRO W 560 -0.801 0.541 -8.010 1.00 0.00 H new ATOM 0 HB2 PRO W 560 -1.927 -1.909 -6.997 1.00 0.00 H new ATOM 0 HB3 PRO W 560 -0.274 -1.709 -7.545 1.00 0.00 H new ATOM 0 HG2 PRO W 560 -1.351 -1.727 -4.776 1.00 0.00 H new ATOM 0 HG3 PRO W 560 0.240 -2.185 -5.352 1.00 0.00 H new ATOM 0 HD2 PRO W 560 -0.173 0.135 -3.997 1.00 0.00 H new ATOM 0 HD3 PRO W 560 1.062 0.004 -5.233 1.00 0.00 H new ATOM 620 N ARG W 561 -3.499 0.579 -6.211 1.00 0.00 N ATOM 621 CA ARG W 561 -4.935 0.824 -6.273 1.00 0.00 C ATOM 622 C ARG W 561 -5.245 2.048 -7.131 1.00 0.00 C ATOM 623 O ARG W 561 -6.354 2.191 -7.644 1.00 0.00 O ATOM 624 CB ARG W 561 -5.499 1.016 -4.865 1.00 0.00 C ATOM 625 CG ARG W 561 -4.607 1.851 -3.960 1.00 0.00 C ATOM 626 CD ARG W 561 -5.427 2.717 -3.016 1.00 0.00 C ATOM 627 NE ARG W 561 -5.596 2.093 -1.707 1.00 0.00 N ATOM 628 CZ ARG W 561 -5.921 2.764 -0.608 1.00 0.00 C ATOM 629 NH1 ARG W 561 -6.117 4.075 -0.663 1.00 0.00 N ATOM 630 NH2 ARG W 561 -6.052 2.127 0.547 1.00 0.00 N ATOM 0 H ARG W 561 -3.116 0.547 -5.266 1.00 0.00 H new ATOM 0 HA ARG W 561 -5.407 -0.044 -6.732 1.00 0.00 H new ATOM 0 HB2 ARG W 561 -6.477 1.492 -4.936 1.00 0.00 H new ATOM 0 HB3 ARG W 561 -5.653 0.038 -4.408 1.00 0.00 H new ATOM 0 HG2 ARG W 561 -3.957 1.194 -3.381 1.00 0.00 H new ATOM 0 HG3 ARG W 561 -3.961 2.484 -4.568 1.00 0.00 H new ATOM 0 HD2 ARG W 561 -4.939 3.684 -2.896 1.00 0.00 H new ATOM 0 HD3 ARG W 561 -6.406 2.906 -3.456 1.00 0.00 H new ATOM 0 HE ARG W 561 -5.457 1.085 -1.632 1.00 0.00 H new ATOM 0 HH11 ARG W 561 -6.018 4.569 -1.550 1.00 0.00 H new ATOM 0 HH12 ARG W 561 -6.367 4.589 0.182 1.00 0.00 H new ATOM 0 HH21 ARG W 561 -5.903 1.119 0.593 1.00 0.00 H new ATOM 0 HH22 ARG W 561 -6.302 2.645 1.390 1.00 0.00 H new ATOM 644 N ASN W 562 -4.259 2.929 -7.284 1.00 0.00 N ATOM 645 CA ASN W 562 -4.434 4.139 -8.084 1.00 0.00 C ATOM 646 C ASN W 562 -3.217 4.387 -8.969 1.00 0.00 C ATOM 647 O ASN W 562 -3.306 4.330 -10.195 1.00 0.00 O ATOM 648 CB ASN W 562 -4.668 5.353 -7.180 1.00 0.00 C ATOM 649 CG ASN W 562 -5.473 5.016 -5.940 1.00 0.00 C ATOM 650 OD1 ASN W 562 -6.545 4.417 -6.024 1.00 0.00 O ATOM 651 ND2 ASN W 562 -4.958 5.403 -4.778 1.00 0.00 N ATOM 0 H ASN W 562 -3.334 2.829 -6.866 1.00 0.00 H new ATOM 0 HA ASN W 562 -5.307 3.994 -8.720 1.00 0.00 H new ATOM 0 HB2 ASN W 562 -3.706 5.768 -6.881 1.00 0.00 H new ATOM 0 HB3 ASN W 562 -5.187 6.127 -7.746 1.00 0.00 H new ATOM 0 HD21 ASN W 562 -5.455 5.206 -3.909 1.00 0.00 H new ATOM 0 HD22 ASN W 562 -4.066 5.897 -4.755 1.00 0.00 H new ATOM 658 N GLY W 563 -2.081 4.665 -8.336 1.00 0.00 N ATOM 659 CA GLY W 563 -0.861 4.920 -9.079 1.00 0.00 C ATOM 660 C GLY W 563 -0.263 6.278 -8.766 1.00 0.00 C ATOM 661 O GLY W 563 0.338 6.914 -9.633 1.00 0.00 O ATOM 0 H GLY W 563 -1.984 4.718 -7.322 1.00 0.00 H new ATOM 0 HA2 GLY W 563 -0.131 4.144 -8.850 1.00 0.00 H new ATOM 0 HA3 GLY W 563 -1.070 4.856 -10.147 1.00 0.00 H new ATOM 665 N ARG W 564 -0.424 6.724 -7.524 1.00 0.00 N ATOM 666 CA ARG W 564 0.107 8.014 -7.100 1.00 0.00 C ATOM 667 C ARG W 564 0.806 7.896 -5.751 1.00 0.00 C ATOM 668 O ARG W 564 0.853 6.821 -5.155 1.00 0.00 O ATOM 669 CB ARG W 564 -1.014 9.051 -7.015 1.00 0.00 C ATOM 670 CG ARG W 564 -1.680 9.341 -8.350 1.00 0.00 C ATOM 671 CD ARG W 564 -3.155 8.977 -8.328 1.00 0.00 C ATOM 672 NE ARG W 564 -3.985 10.085 -7.863 1.00 0.00 N ATOM 673 CZ ARG W 564 -5.309 10.114 -7.982 1.00 0.00 C ATOM 674 NH1 ARG W 564 -5.946 9.101 -8.554 1.00 0.00 N ATOM 675 NH2 ARG W 564 -5.996 11.154 -7.531 1.00 0.00 N ATOM 0 H ARG W 564 -0.918 6.211 -6.794 1.00 0.00 H new ATOM 0 HA ARG W 564 0.836 8.339 -7.842 1.00 0.00 H new ATOM 0 HB2 ARG W 564 -1.769 8.700 -6.311 1.00 0.00 H new ATOM 0 HB3 ARG W 564 -0.609 9.979 -6.612 1.00 0.00 H new ATOM 0 HG2 ARG W 564 -1.569 10.398 -8.591 1.00 0.00 H new ATOM 0 HG3 ARG W 564 -1.178 8.780 -9.138 1.00 0.00 H new ATOM 0 HD2 ARG W 564 -3.471 8.683 -9.329 1.00 0.00 H new ATOM 0 HD3 ARG W 564 -3.306 8.114 -7.680 1.00 0.00 H new ATOM 0 HE ARG W 564 -3.523 10.881 -7.422 1.00 0.00 H new ATOM 0 HH11 ARG W 564 -5.420 8.300 -8.903 1.00 0.00 H new ATOM 0 HH12 ARG W 564 -6.962 9.123 -8.645 1.00 0.00 H new ATOM 0 HH21 ARG W 564 -5.509 11.935 -7.091 1.00 0.00 H new ATOM 0 HH22 ARG W 564 -7.012 11.173 -7.624 1.00 0.00 H new ATOM 689 N ALA W 565 1.348 9.011 -5.273 1.00 0.00 N ATOM 690 CA ALA W 565 2.043 9.033 -3.994 1.00 0.00 C ATOM 691 C ALA W 565 1.138 8.540 -2.870 1.00 0.00 C ATOM 692 O ALA W 565 0.168 9.204 -2.502 1.00 0.00 O ATOM 693 CB ALA W 565 2.551 10.436 -3.691 1.00 0.00 C ATOM 0 H ALA W 565 1.319 9.911 -5.753 1.00 0.00 H new ATOM 0 HA ALA W 565 2.896 8.358 -4.061 1.00 0.00 H new ATOM 0 HB1 ALA W 565 3.068 10.436 -2.732 1.00 0.00 H new ATOM 0 HB2 ALA W 565 3.240 10.751 -4.475 1.00 0.00 H new ATOM 0 HB3 ALA W 565 1.709 11.127 -3.649 1.00 0.00 H new ATOM 699 N SER W 566 1.461 7.369 -2.331 1.00 0.00 N ATOM 700 CA SER W 566 0.678 6.781 -1.251 1.00 0.00 C ATOM 701 C SER W 566 0.651 7.699 -0.033 1.00 0.00 C ATOM 702 O SER W 566 -0.415 7.983 0.508 1.00 99.99 O ATOM 703 CB SER W 566 1.251 5.416 -0.864 1.00 0.00 C ATOM 704 OG SER W 566 0.880 5.061 0.456 1.00 0.00 O ATOM 0 H SER W 566 2.261 6.808 -2.625 1.00 0.00 H new ATOM 0 HA SER W 566 -0.344 6.652 -1.606 1.00 0.00 H new ATOM 0 HB2 SER W 566 0.894 4.658 -1.561 1.00 0.00 H new ATOM 0 HB3 SER W 566 2.338 5.438 -0.946 1.00 0.00 H new ATOM 0 HG SER W 566 1.258 4.184 0.678 1.00 0.00 H new TER 710 SER W 566 ATOM 711 N THR P 227 15.298 6.268 -1.228 1.00 0.00 N ATOM 712 CA THR P 227 14.552 7.486 -0.817 1.00 0.00 C ATOM 713 C THR P 227 13.868 7.285 0.531 1.00 0.00 C ATOM 714 O THR P 227 12.781 7.812 0.772 1.00 0.00 O ATOM 715 CB THR P 227 13.489 7.869 -1.862 1.00 0.00 C ATOM 716 OG1 THR P 227 12.739 6.711 -2.248 1.00 0.00 O ATOM 717 CG2 THR P 227 14.137 8.491 -3.089 1.00 0.00 C ATOM 0 HA THR P 227 15.282 8.291 -0.735 1.00 0.00 H new ATOM 0 HB THR P 227 12.818 8.602 -1.413 1.00 0.00 H new ATOM 0 HG1 THR P 227 13.267 5.905 -2.070 1.00 0.00 H new ATOM 0 HG21 THR P 227 13.366 8.754 -3.814 1.00 0.00 H new ATOM 0 HG22 THR P 227 14.682 9.389 -2.797 1.00 0.00 H new ATOM 0 HG23 THR P 227 14.828 7.777 -3.537 1.00 0.00 H new ATOM 727 N GLY P 228 14.511 6.521 1.409 1.00 0.00 N ATOM 728 CA GLY P 228 13.950 6.266 2.723 1.00 0.00 C ATOM 729 C GLY P 228 12.672 5.453 2.662 1.00 0.00 C ATOM 730 O GLY P 228 11.699 5.763 3.349 1.00 0.00 O ATOM 0 H GLY P 228 15.411 6.074 1.234 1.00 0.00 H new ATOM 0 HA2 GLY P 228 14.684 5.738 3.331 1.00 0.00 H new ATOM 0 HA3 GLY P 228 13.749 7.216 3.219 1.00 0.00 H new ATOM 734 N LEU P 229 12.673 4.410 1.837 1.00 0.00 N ATOM 735 CA LEU P 229 11.503 3.550 1.691 1.00 0.00 C ATOM 736 C LEU P 229 11.757 2.173 2.296 1.00 0.00 C ATOM 737 O LEU P 229 12.248 1.269 1.619 1.00 0.00 O ATOM 738 CB LEU P 229 11.131 3.405 0.213 1.00 0.00 C ATOM 739 CG LEU P 229 9.937 2.493 -0.069 1.00 0.00 C ATOM 740 CD1 LEU P 229 8.714 3.315 -0.447 1.00 0.00 C ATOM 741 CD2 LEU P 229 10.275 1.500 -1.171 1.00 0.00 C ATOM 0 H LEU P 229 13.470 4.140 1.260 1.00 0.00 H new ATOM 0 HA LEU P 229 10.675 4.016 2.226 1.00 0.00 H new ATOM 0 HB2 LEU P 229 10.916 4.395 -0.190 1.00 0.00 H new ATOM 0 HB3 LEU P 229 11.997 3.022 -0.328 1.00 0.00 H new ATOM 0 HG LEU P 229 9.707 1.935 0.839 1.00 0.00 H new ATOM 0 HD11 LEU P 229 7.874 2.648 -0.644 1.00 0.00 H new ATOM 0 HD12 LEU P 229 8.459 3.987 0.373 1.00 0.00 H new ATOM 0 HD13 LEU P 229 8.931 3.900 -1.341 1.00 0.00 H new ATOM 0 HD21 LEU P 229 9.414 0.858 -1.359 1.00 0.00 H new ATOM 0 HD22 LEU P 229 10.531 2.041 -2.082 1.00 0.00 H new ATOM 0 HD23 LEU P 229 11.123 0.888 -0.862 1.00 0.00 H new ATOM 753 N PRO P 230 11.418 1.989 3.584 1.00 0.00 N ATOM 754 CA PRO P 230 11.604 0.711 4.272 1.00 0.00 C ATOM 755 C PRO P 230 11.040 -0.452 3.466 1.00 0.00 C ATOM 756 O PRO P 230 9.861 -0.787 3.580 1.00 0.00 O ATOM 757 CB PRO P 230 10.822 0.892 5.573 1.00 0.00 C ATOM 758 CG PRO P 230 10.837 2.361 5.819 1.00 0.00 C ATOM 759 CD PRO P 230 10.817 3.010 4.462 1.00 0.00 C ATOM 0 HA PRO P 230 12.656 0.473 4.427 1.00 0.00 H new ATOM 0 HB2 PRO P 230 9.803 0.516 5.479 1.00 0.00 H new ATOM 0 HB3 PRO P 230 11.288 0.348 6.395 1.00 0.00 H new ATOM 0 HG2 PRO P 230 9.974 2.666 6.410 1.00 0.00 H new ATOM 0 HG3 PRO P 230 11.726 2.654 6.378 1.00 0.00 H new ATOM 0 HD2 PRO P 230 9.803 3.260 4.151 1.00 0.00 H new ATOM 0 HD3 PRO P 230 11.391 3.937 4.452 1.00 0.00 H new ATOM 767 N SER P 231 11.888 -1.058 2.641 1.00 0.00 N ATOM 768 CA SER P 231 11.473 -2.177 1.803 1.00 0.00 C ATOM 769 C SER P 231 10.708 -3.221 2.608 1.00 0.00 C ATOM 770 O SER P 231 10.786 -3.258 3.836 1.00 0.00 O ATOM 771 CB SER P 231 12.690 -2.821 1.136 1.00 0.00 C ATOM 772 OG SER P 231 13.687 -1.856 0.853 1.00 0.00 O ATOM 0 H SER P 231 12.867 -0.793 2.535 1.00 0.00 H new ATOM 0 HA SER P 231 10.806 -1.787 1.034 1.00 0.00 H new ATOM 0 HB2 SER P 231 13.100 -3.592 1.788 1.00 0.00 H new ATOM 0 HB3 SER P 231 12.384 -3.314 0.213 1.00 0.00 H new ATOM 0 HG SER P 231 14.455 -2.293 0.429 1.00 0.00 H new ATOM 778 N TYR P 232 9.965 -4.065 1.901 1.00 0.00 N ATOM 779 CA TYR P 232 9.177 -5.114 2.533 1.00 0.00 C ATOM 780 C TYR P 232 10.080 -6.205 3.102 1.00 0.00 C ATOM 781 O TYR P 232 10.209 -7.285 2.527 1.00 0.00 O ATOM 782 CB TYR P 232 8.194 -5.707 1.521 1.00 0.00 C ATOM 783 CG TYR P 232 7.300 -6.799 2.071 1.00 0.00 C ATOM 784 CD1 TYR P 232 7.272 -7.105 3.429 1.00 0.00 C ATOM 785 CD2 TYR P 232 6.480 -7.525 1.221 1.00 0.00 C ATOM 786 CE1 TYR P 232 6.452 -8.104 3.918 1.00 0.00 C ATOM 787 CE2 TYR P 232 5.657 -8.527 1.702 1.00 0.00 C ATOM 788 CZ TYR P 232 5.647 -8.811 3.051 1.00 0.00 C ATOM 789 OH TYR P 232 4.830 -9.808 3.535 1.00 0.00 O ATOM 0 H TYR P 232 9.893 -4.042 0.884 1.00 0.00 H new ATOM 0 HA TYR P 232 8.616 -4.677 3.359 1.00 0.00 H new ATOM 0 HB2 TYR P 232 7.567 -4.905 1.131 1.00 0.00 H new ATOM 0 HB3 TYR P 232 8.758 -6.108 0.679 1.00 0.00 H new ATOM 0 HD1 TYR P 232 7.901 -6.553 4.111 1.00 0.00 H new ATOM 0 HD2 TYR P 232 6.484 -7.304 0.164 1.00 0.00 H new ATOM 0 HE1 TYR P 232 6.442 -8.330 4.974 1.00 0.00 H new ATOM 0 HE2 TYR P 232 5.026 -9.084 1.025 1.00 0.00 H new ATOM 0 HH TYR P 232 3.919 -9.677 3.197 1.00 0.00 H new ATOM 799 N ASP P 233 10.700 -5.907 4.237 1.00 0.00 N ATOM 800 CA ASP P 233 11.593 -6.849 4.899 1.00 0.00 C ATOM 801 C ASP P 233 12.092 -6.271 6.220 1.00 0.00 C ATOM 802 O ASP P 233 12.123 -6.960 7.240 1.00 0.00 O ATOM 803 CB ASP P 233 12.780 -7.184 3.994 1.00 0.00 C ATOM 804 CG ASP P 233 13.574 -8.373 4.498 1.00 0.00 C ATOM 805 OD1 ASP P 233 14.032 -8.331 5.660 1.00 0.00 O ATOM 806 OD2 ASP P 233 13.741 -9.345 3.731 1.00 0.00 O ATOM 0 H ASP P 233 10.600 -5.015 4.721 1.00 0.00 H new ATOM 0 HA ASP P 233 11.037 -7.764 5.103 1.00 0.00 H new ATOM 0 HB2 ASP P 233 12.418 -7.393 2.987 1.00 0.00 H new ATOM 0 HB3 ASP P 233 13.436 -6.316 3.923 1.00 0.00 H new ATOM 811 N GLU P 234 12.475 -4.998 6.191 1.00 0.00 N ATOM 812 CA GLU P 234 12.964 -4.318 7.384 1.00 0.00 C ATOM 813 C GLU P 234 12.016 -3.195 7.800 1.00 0.00 C ATOM 814 O GLU P 234 12.409 -2.271 8.512 1.00 0.00 O ATOM 815 CB GLU P 234 14.364 -3.753 7.137 1.00 0.00 C ATOM 816 CG GLU P 234 14.535 -3.127 5.763 1.00 0.00 C ATOM 817 CD GLU P 234 15.711 -2.172 5.701 1.00 0.00 C ATOM 818 OE1 GLU P 234 16.824 -2.573 6.103 1.00 0.00 O ATOM 819 OE2 GLU P 234 15.519 -1.022 5.254 1.00 0.00 O ATOM 0 H GLU P 234 12.456 -4.417 5.353 1.00 0.00 H new ATOM 0 HA GLU P 234 13.011 -5.047 8.193 1.00 0.00 H new ATOM 0 HB2 GLU P 234 14.584 -3.004 7.898 1.00 0.00 H new ATOM 0 HB3 GLU P 234 15.095 -4.552 7.256 1.00 0.00 H new ATOM 0 HG2 GLU P 234 14.672 -3.915 5.023 1.00 0.00 H new ATOM 0 HG3 GLU P 234 13.623 -2.593 5.495 1.00 0.00 H new ATOM 826 N ALA P 235 10.766 -3.282 7.352 1.00 0.00 N ATOM 827 CA ALA P 235 9.766 -2.276 7.679 1.00 0.00 C ATOM 828 C ALA P 235 8.665 -2.869 8.550 1.00 0.00 C ATOM 829 O ALA P 235 8.192 -2.232 9.491 1.00 0.00 O ATOM 830 CB ALA P 235 9.177 -1.685 6.407 1.00 0.00 C ATOM 0 H ALA P 235 10.424 -4.040 6.762 1.00 0.00 H new ATOM 0 HA ALA P 235 10.253 -1.480 8.242 1.00 0.00 H new ATOM 0 HB1 ALA P 235 8.431 -0.934 6.666 1.00 0.00 H new ATOM 0 HB2 ALA P 235 9.970 -1.221 5.820 1.00 0.00 H new ATOM 0 HB3 ALA P 235 8.708 -2.476 5.822 1.00 0.00 H new ATOM 836 N LEU P 236 8.265 -4.095 8.230 1.00 0.00 N ATOM 837 CA LEU P 236 7.222 -4.779 8.985 1.00 0.00 C ATOM 838 C LEU P 236 7.574 -4.834 10.468 1.00 0.00 C ATOM 839 O LEU P 236 6.725 -4.596 11.327 1.00 0.00 O ATOM 840 CB LEU P 236 7.020 -6.196 8.443 1.00 0.00 C ATOM 841 CG LEU P 236 5.564 -6.654 8.361 1.00 0.00 C ATOM 842 CD1 LEU P 236 5.470 -8.025 7.707 1.00 0.00 C ATOM 843 CD2 LEU P 236 4.936 -6.678 9.746 1.00 0.00 C ATOM 0 H LEU P 236 8.647 -4.635 7.453 1.00 0.00 H new ATOM 0 HA LEU P 236 6.295 -4.218 8.871 1.00 0.00 H new ATOM 0 HB2 LEU P 236 7.460 -6.254 7.448 1.00 0.00 H new ATOM 0 HB3 LEU P 236 7.569 -6.893 9.076 1.00 0.00 H new ATOM 0 HG LEU P 236 5.013 -5.943 7.745 1.00 0.00 H new ATOM 0 HD11 LEU P 236 4.426 -8.334 7.658 1.00 0.00 H new ATOM 0 HD12 LEU P 236 5.882 -7.976 6.699 1.00 0.00 H new ATOM 0 HD13 LEU P 236 6.035 -8.748 8.295 1.00 0.00 H new ATOM 0 HD21 LEU P 236 3.899 -7.006 9.670 1.00 0.00 H new ATOM 0 HD22 LEU P 236 5.489 -7.367 10.384 1.00 0.00 H new ATOM 0 HD23 LEU P 236 4.969 -5.678 10.178 1.00 0.00 H new ATOM 855 N HIS P 237 8.831 -5.151 10.760 1.00 0.00 N ATOM 856 CA HIS P 237 9.298 -5.237 12.138 1.00 0.00 C ATOM 857 C HIS P 237 10.317 -4.140 12.437 1.00 0.00 C ATOM 858 O HIS P 237 10.192 -3.429 13.432 1.00 99.99 O ATOM 859 CB HIS P 237 9.915 -6.613 12.402 1.00 0.00 C ATOM 860 CG HIS P 237 9.051 -7.751 11.955 1.00 0.00 C ATOM 861 ND1 HIS P 237 8.151 -8.386 12.786 1.00 0.00 N ATOM 862 CD2 HIS P 237 8.954 -8.372 10.755 1.00 0.00 C ATOM 863 CE1 HIS P 237 7.538 -9.346 12.116 1.00 0.00 C ATOM 864 NE2 HIS P 237 8.007 -9.358 10.883 1.00 0.00 N ATOM 0 H HIS P 237 9.545 -5.353 10.060 1.00 0.00 H new ATOM 0 HA HIS P 237 8.441 -5.098 12.797 1.00 0.00 H new ATOM 0 HB2 HIS P 237 10.876 -6.675 11.892 1.00 0.00 H new ATOM 0 HB3 HIS P 237 10.113 -6.715 13.469 1.00 0.00 H new ATOM 0 HD2 HIS P 237 9.517 -8.136 9.864 1.00 0.00 H new ATOM 0 HE1 HIS P 237 6.782 -10.008 12.511 1.00 0.00 H new ATOM 0 HE2 HIS P 237 7.713 -9.997 10.144 1.00 0.00 H new TER 873 HIS P 237