USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=11 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= 0.245 USER MOD Set 1.2: W 566 SER OG : rot 111:sc= 0.162 USER MOD Set 2.1: P 232 TYR OH : rot -166:sc= 0.4 USER MOD Set 2.2: W 536 SER OG : rot 108:sc= 0.0267 USER MOD Set 2.3: W 550 HIS : no HE2:sc= -0.46 K(o=-0.034,f=-1.2) USER MOD Single : P 227 THR OG1 : rot -36:sc= 0.0221 USER MOD Single : P 231 SER OG : rot 180:sc= 0 USER MOD Single : P 237 HIS : no HD1:sc= -0.0847 X(o=-0.085,f=-0.0054) USER MOD Single : W 525 SER OG : rot 180:sc= 0 USER MOD Single : W 537 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : W 538 GLN : amide:sc= 0.381 X(o=0.38,f=0) USER MOD Single : W 542 ASN : amide:sc= 0.12 K(o=0.12,f=-0.52) USER MOD Single : W 552 SER OG : rot 180:sc= 0 USER MOD Single : W 555 THR OG1 : rot 149:sc= -1.58 USER MOD Single : W 556 THR OG1 : rot 180:sc= -0.136 USER MOD Single : W 562 ASN : amide:sc= -7.69 K(o=-7.7,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY W 521 -25.075 0.511 1.104 1.00 99.99 N ATOM 2 CA GLY W 521 -25.787 0.137 2.309 1.00 0.00 C ATOM 3 C GLY W 521 -25.414 -1.276 2.718 1.00 0.00 C ATOM 4 O GLY W 521 -25.069 -1.519 3.874 1.00 0.00 O ATOM 0 HA2 GLY W 521 -25.546 0.832 3.113 1.00 0.00 H new ATOM 0 HA3 GLY W 521 -26.862 0.203 2.141 1.00 0.00 H new ATOM 10 N PRO W 522 -25.476 -2.238 1.783 1.00 0.00 N ATOM 11 CA PRO W 522 -25.140 -3.634 2.063 1.00 0.00 C ATOM 12 C PRO W 522 -23.634 -3.871 2.131 1.00 0.00 C ATOM 13 O PRO W 522 -23.178 -4.870 2.689 1.00 0.00 O ATOM 14 CB PRO W 522 -25.744 -4.378 0.873 1.00 0.00 C ATOM 15 CG PRO W 522 -25.695 -3.396 -0.247 1.00 0.00 C ATOM 16 CD PRO W 522 -25.880 -2.037 0.377 1.00 0.00 C ATOM 0 HA PRO W 522 -25.519 -3.960 3.032 1.00 0.00 H new ATOM 0 HB2 PRO W 522 -25.175 -5.277 0.637 1.00 0.00 H new ATOM 0 HB3 PRO W 522 -26.767 -4.693 1.080 1.00 0.00 H new ATOM 0 HG2 PRO W 522 -24.744 -3.455 -0.775 1.00 0.00 H new ATOM 0 HG3 PRO W 522 -26.478 -3.599 -0.977 1.00 0.00 H new ATOM 0 HD2 PRO W 522 -25.263 -1.284 -0.113 1.00 0.00 H new ATOM 0 HD3 PRO W 522 -26.914 -1.700 0.302 1.00 0.00 H new ATOM 24 N LEU W 523 -22.866 -2.949 1.558 1.00 0.00 N ATOM 25 CA LEU W 523 -21.412 -3.063 1.555 1.00 0.00 C ATOM 26 C LEU W 523 -20.755 -1.710 1.810 1.00 0.00 C ATOM 27 O LEU W 523 -19.679 -1.424 1.283 1.00 0.00 O ATOM 28 CB LEU W 523 -20.928 -3.631 0.219 1.00 0.00 C ATOM 29 CG LEU W 523 -19.864 -4.724 0.325 1.00 0.00 C ATOM 30 CD1 LEU W 523 -20.087 -5.789 -0.737 1.00 0.00 C ATOM 31 CD2 LEU W 523 -18.472 -4.123 0.200 1.00 0.00 C ATOM 0 H LEU W 523 -23.226 -2.117 1.091 1.00 0.00 H new ATOM 0 HA LEU W 523 -21.126 -3.741 2.359 1.00 0.00 H new ATOM 0 HB2 LEU W 523 -21.786 -4.033 -0.319 1.00 0.00 H new ATOM 0 HB3 LEU W 523 -20.529 -2.814 -0.382 1.00 0.00 H new ATOM 0 HG LEU W 523 -19.947 -5.196 1.304 1.00 0.00 H new ATOM 0 HD11 LEU W 523 -19.321 -6.559 -0.647 1.00 0.00 H new ATOM 0 HD12 LEU W 523 -21.071 -6.238 -0.601 1.00 0.00 H new ATOM 0 HD13 LEU W 523 -20.030 -5.334 -1.726 1.00 0.00 H new ATOM 0 HD21 LEU W 523 -17.726 -4.914 0.278 1.00 0.00 H new ATOM 0 HD22 LEU W 523 -18.375 -3.626 -0.766 1.00 0.00 H new ATOM 0 HD23 LEU W 523 -18.316 -3.397 0.998 1.00 0.00 H new ATOM 43 N GLY W 524 -21.405 -0.882 2.620 1.00 0.00 N ATOM 44 CA GLY W 524 -20.864 0.429 2.927 1.00 0.00 C ATOM 45 C GLY W 524 -20.001 0.424 4.173 1.00 0.00 C ATOM 46 O GLY W 524 -20.064 1.349 4.984 1.00 0.00 O ATOM 0 H GLY W 524 -22.296 -1.095 3.069 1.00 0.00 H new ATOM 0 HA2 GLY W 524 -20.273 0.782 2.081 1.00 0.00 H new ATOM 0 HA3 GLY W 524 -21.684 1.135 3.060 1.00 0.00 H new ATOM 50 N SER W 525 -19.191 -0.619 4.329 1.00 0.00 N ATOM 51 CA SER W 525 -18.314 -0.738 5.487 1.00 0.00 C ATOM 52 C SER W 525 -16.883 -0.354 5.126 1.00 0.00 C ATOM 53 O SER W 525 -15.925 -0.880 5.692 1.00 0.00 O ATOM 54 CB SER W 525 -18.349 -2.164 6.039 1.00 0.00 C ATOM 55 OG SER W 525 -19.214 -2.257 7.157 1.00 0.00 O ATOM 0 H SER W 525 -19.124 -1.393 3.668 1.00 0.00 H new ATOM 0 HA SER W 525 -18.673 -0.052 6.254 1.00 0.00 H new ATOM 0 HB2 SER W 525 -18.681 -2.851 5.260 1.00 0.00 H new ATOM 0 HB3 SER W 525 -17.343 -2.471 6.327 1.00 0.00 H new ATOM 0 HG SER W 525 -19.220 -3.179 7.490 1.00 0.00 H new ATOM 61 N GLY W 526 -16.745 0.569 4.179 1.00 0.00 N ATOM 62 CA GLY W 526 -15.428 1.010 3.758 1.00 0.00 C ATOM 63 C GLY W 526 -15.383 1.394 2.292 1.00 0.00 C ATOM 64 O GLY W 526 -15.881 0.663 1.436 1.00 0.00 O ATOM 0 H GLY W 526 -17.522 1.019 3.696 1.00 0.00 H new ATOM 0 HA2 GLY W 526 -15.124 1.864 4.363 1.00 0.00 H new ATOM 0 HA3 GLY W 526 -14.706 0.215 3.944 1.00 0.00 H new ATOM 68 N GLU W 527 -14.786 2.546 2.002 1.00 0.00 N ATOM 69 CA GLU W 527 -14.678 3.028 0.628 1.00 0.00 C ATOM 70 C GLU W 527 -13.345 3.734 0.402 1.00 0.00 C ATOM 71 O GLU W 527 -13.302 4.831 -0.157 1.00 0.00 O ATOM 72 CB GLU W 527 -15.831 3.981 0.307 1.00 0.00 C ATOM 73 CG GLU W 527 -17.196 3.444 0.701 1.00 0.00 C ATOM 74 CD GLU W 527 -18.323 4.391 0.335 1.00 0.00 C ATOM 75 OE1 GLU W 527 -18.178 5.607 0.579 1.00 0.00 O ATOM 76 OE2 GLU W 527 -19.349 3.915 -0.195 1.00 0.00 O ATOM 0 H GLU W 527 -14.370 3.163 2.699 1.00 0.00 H new ATOM 0 HA GLU W 527 -14.731 2.166 -0.037 1.00 0.00 H new ATOM 0 HB2 GLU W 527 -15.661 4.928 0.820 1.00 0.00 H new ATOM 0 HB3 GLU W 527 -15.829 4.193 -0.762 1.00 0.00 H new ATOM 0 HG2 GLU W 527 -17.360 2.484 0.212 1.00 0.00 H new ATOM 0 HG3 GLU W 527 -17.214 3.261 1.775 1.00 0.00 H new ATOM 83 N GLU W 528 -12.261 3.102 0.838 1.00 0.00 N ATOM 84 CA GLU W 528 -10.930 3.674 0.680 1.00 0.00 C ATOM 85 C GLU W 528 -10.082 2.842 -0.279 1.00 0.00 C ATOM 86 O GLU W 528 -8.852 2.902 -0.247 1.00 0.00 O ATOM 87 CB GLU W 528 -10.233 3.775 2.038 1.00 0.00 C ATOM 88 CG GLU W 528 -9.125 4.814 2.077 1.00 0.00 C ATOM 89 CD GLU W 528 -9.297 5.809 3.208 1.00 0.00 C ATOM 90 OE1 GLU W 528 -9.992 5.475 4.191 1.00 0.00 O ATOM 91 OE2 GLU W 528 -8.736 6.920 3.112 1.00 0.00 O ATOM 0 H GLU W 528 -12.278 2.194 1.303 1.00 0.00 H new ATOM 0 HA GLU W 528 -11.042 4.673 0.258 1.00 0.00 H new ATOM 0 HB2 GLU W 528 -10.974 4.017 2.800 1.00 0.00 H new ATOM 0 HB3 GLU W 528 -9.816 2.802 2.296 1.00 0.00 H new ATOM 0 HG2 GLU W 528 -8.164 4.311 2.184 1.00 0.00 H new ATOM 0 HG3 GLU W 528 -9.101 5.349 1.128 1.00 0.00 H new ATOM 98 N GLU W 529 -10.744 2.069 -1.134 1.00 0.00 N ATOM 99 CA GLU W 529 -10.049 1.228 -2.102 1.00 0.00 C ATOM 100 C GLU W 529 -8.969 0.390 -1.424 1.00 0.00 C ATOM 101 O GLU W 529 -7.787 0.723 -1.483 1.00 0.00 O ATOM 102 CB GLU W 529 -9.425 2.089 -3.202 1.00 0.00 C ATOM 103 CG GLU W 529 -9.237 1.351 -4.517 1.00 0.00 C ATOM 104 CD GLU W 529 -10.554 1.031 -5.198 1.00 0.00 C ATOM 105 OE1 GLU W 529 -11.167 1.957 -5.769 1.00 0.00 O ATOM 106 OE2 GLU W 529 -10.972 -0.145 -5.160 1.00 0.00 O ATOM 0 H GLU W 529 -11.761 2.008 -1.176 1.00 0.00 H new ATOM 0 HA GLU W 529 -10.780 0.553 -2.547 1.00 0.00 H new ATOM 0 HB2 GLU W 529 -10.056 2.961 -3.371 1.00 0.00 H new ATOM 0 HB3 GLU W 529 -8.458 2.457 -2.860 1.00 0.00 H new ATOM 0 HG2 GLU W 529 -8.624 1.956 -5.185 1.00 0.00 H new ATOM 0 HG3 GLU W 529 -8.691 0.425 -4.335 1.00 0.00 H new ATOM 113 N PRO W 530 -9.359 -0.716 -0.770 1.00 0.00 N ATOM 114 CA PRO W 530 -8.412 -1.599 -0.085 1.00 0.00 C ATOM 115 C PRO W 530 -7.203 -1.936 -0.951 1.00 0.00 C ATOM 116 O PRO W 530 -7.222 -1.735 -2.166 1.00 0.00 O ATOM 117 CB PRO W 530 -9.240 -2.853 0.189 1.00 0.00 C ATOM 118 CG PRO W 530 -10.643 -2.364 0.292 1.00 0.00 C ATOM 119 CD PRO W 530 -10.750 -1.194 -0.651 1.00 0.00 C ATOM 0 HA PRO W 530 -7.997 -1.139 0.812 1.00 0.00 H new ATOM 0 HB2 PRO W 530 -9.133 -3.582 -0.614 1.00 0.00 H new ATOM 0 HB3 PRO W 530 -8.923 -3.344 1.109 1.00 0.00 H new ATOM 0 HG2 PRO W 530 -11.350 -3.148 0.021 1.00 0.00 H new ATOM 0 HG3 PRO W 530 -10.877 -2.064 1.313 1.00 0.00 H new ATOM 0 HD2 PRO W 530 -11.155 -1.494 -1.618 1.00 0.00 H new ATOM 0 HD3 PRO W 530 -11.408 -0.420 -0.256 1.00 0.00 H new ATOM 127 N LEU W 531 -6.155 -2.457 -0.321 1.00 0.00 N ATOM 128 CA LEU W 531 -4.940 -2.830 -1.037 1.00 0.00 C ATOM 129 C LEU W 531 -5.195 -4.048 -1.918 1.00 0.00 C ATOM 130 O LEU W 531 -5.853 -4.999 -1.494 1.00 0.00 O ATOM 131 CB LEU W 531 -3.810 -3.124 -0.047 1.00 0.00 C ATOM 132 CG LEU W 531 -3.762 -2.202 1.173 1.00 0.00 C ATOM 133 CD1 LEU W 531 -3.756 -3.017 2.458 1.00 0.00 C ATOM 134 CD2 LEU W 531 -2.544 -1.294 1.109 1.00 0.00 C ATOM 0 H LEU W 531 -6.123 -2.630 0.684 1.00 0.00 H new ATOM 0 HA LEU W 531 -4.643 -1.996 -1.672 1.00 0.00 H new ATOM 0 HB2 LEU W 531 -3.908 -4.153 0.298 1.00 0.00 H new ATOM 0 HB3 LEU W 531 -2.858 -3.054 -0.574 1.00 0.00 H new ATOM 0 HG LEU W 531 -4.655 -1.577 1.167 1.00 0.00 H new ATOM 0 HD11 LEU W 531 -3.722 -2.345 3.315 1.00 0.00 H new ATOM 0 HD12 LEU W 531 -4.660 -3.623 2.508 1.00 0.00 H new ATOM 0 HD13 LEU W 531 -2.882 -3.668 2.472 1.00 0.00 H new ATOM 0 HD21 LEU W 531 -2.527 -0.646 1.985 1.00 0.00 H new ATOM 0 HD22 LEU W 531 -1.639 -1.901 1.089 1.00 0.00 H new ATOM 0 HD23 LEU W 531 -2.592 -0.684 0.207 1.00 0.00 H new ATOM 146 N PRO W 532 -4.689 -4.036 -3.162 1.00 0.00 N ATOM 147 CA PRO W 532 -4.879 -5.147 -4.101 1.00 0.00 C ATOM 148 C PRO W 532 -4.572 -6.511 -3.474 1.00 0.00 C ATOM 149 O PRO W 532 -4.226 -6.600 -2.296 1.00 0.00 O ATOM 150 CB PRO W 532 -3.901 -4.815 -5.227 1.00 0.00 C ATOM 151 CG PRO W 532 -3.831 -3.330 -5.213 1.00 0.00 C ATOM 152 CD PRO W 532 -3.903 -2.940 -3.762 1.00 0.00 C ATOM 0 HA PRO W 532 -5.913 -5.237 -4.434 1.00 0.00 H new ATOM 0 HB2 PRO W 532 -2.923 -5.263 -5.052 1.00 0.00 H new ATOM 0 HB3 PRO W 532 -4.255 -5.189 -6.187 1.00 0.00 H new ATOM 0 HG2 PRO W 532 -2.907 -2.976 -5.669 1.00 0.00 H new ATOM 0 HG3 PRO W 532 -4.654 -2.893 -5.779 1.00 0.00 H new ATOM 0 HD2 PRO W 532 -2.912 -2.863 -3.315 1.00 0.00 H new ATOM 0 HD3 PRO W 532 -4.389 -1.974 -3.627 1.00 0.00 H new ATOM 160 N PRO W 533 -4.724 -7.594 -4.255 1.00 0.00 N ATOM 161 CA PRO W 533 -4.496 -8.967 -3.786 1.00 0.00 C ATOM 162 C PRO W 533 -3.252 -9.162 -2.942 1.00 0.00 C ATOM 163 O PRO W 533 -3.304 -9.762 -1.869 1.00 0.00 O ATOM 164 CB PRO W 533 -4.369 -9.751 -5.084 1.00 0.00 C ATOM 165 CG PRO W 533 -5.250 -9.029 -6.040 1.00 0.00 C ATOM 166 CD PRO W 533 -5.159 -7.572 -5.669 1.00 0.00 C ATOM 0 HA PRO W 533 -5.302 -9.280 -3.123 1.00 0.00 H new ATOM 0 HB2 PRO W 533 -3.337 -9.775 -5.435 1.00 0.00 H new ATOM 0 HB3 PRO W 533 -4.686 -10.786 -4.956 1.00 0.00 H new ATOM 0 HG2 PRO W 533 -4.926 -9.191 -7.068 1.00 0.00 H new ATOM 0 HG3 PRO W 533 -6.277 -9.386 -5.970 1.00 0.00 H new ATOM 0 HD2 PRO W 533 -4.444 -7.043 -6.299 1.00 0.00 H new ATOM 0 HD3 PRO W 533 -6.119 -7.069 -5.784 1.00 0.00 H new ATOM 174 N ARG W 534 -2.136 -8.687 -3.441 1.00 0.00 N ATOM 175 CA ARG W 534 -0.868 -8.846 -2.741 1.00 0.00 C ATOM 176 C ARG W 534 -0.231 -7.507 -2.428 1.00 0.00 C ATOM 177 O ARG W 534 0.820 -7.166 -2.970 1.00 0.00 O ATOM 178 CB ARG W 534 0.087 -9.698 -3.575 1.00 0.00 C ATOM 179 CG ARG W 534 -0.270 -11.176 -3.581 1.00 0.00 C ATOM 180 CD ARG W 534 0.344 -11.898 -2.392 1.00 0.00 C ATOM 181 NE ARG W 534 -0.056 -13.302 -2.335 1.00 0.00 N ATOM 182 CZ ARG W 534 0.567 -14.215 -1.596 1.00 0.00 C ATOM 183 NH1 ARG W 534 1.617 -13.872 -0.862 1.00 0.00 N ATOM 184 NH2 ARG W 534 0.142 -15.470 -1.591 1.00 0.00 N ATOM 0 H ARG W 534 -2.072 -8.187 -4.328 1.00 0.00 H new ATOM 0 HA ARG W 534 -1.070 -9.348 -1.795 1.00 0.00 H new ATOM 0 HB2 ARG W 534 0.090 -9.329 -4.600 1.00 0.00 H new ATOM 0 HB3 ARG W 534 1.100 -9.578 -3.190 1.00 0.00 H new ATOM 0 HG2 ARG W 534 -1.354 -11.291 -3.559 1.00 0.00 H new ATOM 0 HG3 ARG W 534 0.080 -11.633 -4.507 1.00 0.00 H new ATOM 0 HD2 ARG W 534 1.430 -11.833 -2.451 1.00 0.00 H new ATOM 0 HD3 ARG W 534 0.044 -11.398 -1.471 1.00 0.00 H new ATOM 0 HE ARG W 534 -0.857 -13.598 -2.893 1.00 0.00 H new ATOM 0 HH11 ARG W 534 1.947 -12.907 -0.864 1.00 0.00 H new ATOM 0 HH12 ARG W 534 2.094 -14.573 -0.295 1.00 0.00 H new ATOM 0 HH21 ARG W 534 -0.665 -15.737 -2.155 1.00 0.00 H new ATOM 0 HH22 ARG W 534 0.622 -16.169 -1.023 1.00 0.00 H new ATOM 198 N TRP W 535 -0.868 -6.749 -1.547 1.00 0.00 N ATOM 199 CA TRP W 535 -0.351 -5.445 -1.170 1.00 0.00 C ATOM 200 C TRP W 535 -0.812 -5.030 0.221 1.00 0.00 C ATOM 201 O TRP W 535 -1.838 -5.495 0.717 1.00 0.00 O ATOM 202 CB TRP W 535 -0.773 -4.401 -2.198 1.00 0.00 C ATOM 203 CG TRP W 535 -0.077 -4.565 -3.512 1.00 0.00 C ATOM 204 CD1 TRP W 535 -0.433 -5.401 -4.530 1.00 0.00 C ATOM 205 CD2 TRP W 535 1.101 -3.883 -3.943 1.00 0.00 C ATOM 206 NE1 TRP W 535 0.448 -5.272 -5.575 1.00 0.00 N ATOM 207 CE2 TRP W 535 1.401 -4.344 -5.238 1.00 0.00 C ATOM 208 CE3 TRP W 535 1.930 -2.921 -3.362 1.00 0.00 C ATOM 209 CZ2 TRP W 535 2.495 -3.874 -5.960 1.00 0.00 C ATOM 210 CZ3 TRP W 535 3.017 -2.456 -4.078 1.00 0.00 C ATOM 211 CH2 TRP W 535 3.291 -2.933 -5.366 1.00 0.00 C ATOM 0 H TRP W 535 -1.737 -7.013 -1.084 1.00 0.00 H new ATOM 0 HA TRP W 535 0.737 -5.514 -1.146 1.00 0.00 H new ATOM 0 HB2 TRP W 535 -1.850 -4.465 -2.352 1.00 0.00 H new ATOM 0 HB3 TRP W 535 -0.566 -3.406 -1.804 1.00 0.00 H new ATOM 0 HD1 TRP W 535 -1.283 -6.067 -4.516 1.00 0.00 H new ATOM 0 HE1 TRP W 535 0.402 -5.782 -6.457 1.00 0.00 H new ATOM 0 HE3 TRP W 535 1.725 -2.547 -2.370 1.00 0.00 H new ATOM 0 HZ2 TRP W 535 2.708 -4.239 -6.954 1.00 0.00 H new ATOM 0 HZ3 TRP W 535 3.665 -1.713 -3.637 1.00 0.00 H new ATOM 0 HH2 TRP W 535 4.148 -2.550 -5.901 1.00 0.00 H new ATOM 222 N SER W 536 -0.038 -4.145 0.837 1.00 0.00 N ATOM 223 CA SER W 536 -0.343 -3.644 2.170 1.00 0.00 C ATOM 224 C SER W 536 0.044 -2.172 2.277 1.00 0.00 C ATOM 225 O SER W 536 0.393 -1.543 1.279 1.00 0.00 O ATOM 226 CB SER W 536 0.402 -4.465 3.225 1.00 0.00 C ATOM 227 OG SER W 536 -0.366 -5.583 3.636 1.00 0.00 O ATOM 0 H SER W 536 0.813 -3.757 0.430 1.00 0.00 H new ATOM 0 HA SER W 536 -1.415 -3.739 2.346 1.00 0.00 H new ATOM 0 HB2 SER W 536 1.356 -4.804 2.820 1.00 0.00 H new ATOM 0 HB3 SER W 536 0.627 -3.837 4.087 1.00 0.00 H new ATOM 0 HG SER W 536 0.033 -6.403 3.279 1.00 0.00 H new ATOM 233 N MET W 537 -0.020 -1.624 3.485 1.00 0.00 N ATOM 234 CA MET W 537 0.327 -0.224 3.696 1.00 0.00 C ATOM 235 C MET W 537 0.902 0.004 5.089 1.00 0.00 C ATOM 236 O MET W 537 0.442 -0.584 6.068 1.00 0.00 O ATOM 237 CB MET W 537 -0.898 0.664 3.485 1.00 0.00 C ATOM 238 CG MET W 537 -0.976 1.270 2.094 1.00 0.00 C ATOM 239 SD MET W 537 -0.590 3.031 2.082 1.00 0.00 S ATOM 240 CE MET W 537 -2.229 3.735 2.243 1.00 0.00 C ATOM 0 H MET W 537 -0.307 -2.123 4.327 1.00 0.00 H new ATOM 0 HA MET W 537 1.093 0.041 2.967 1.00 0.00 H new ATOM 0 HB2 MET W 537 -1.798 0.077 3.668 1.00 0.00 H new ATOM 0 HB3 MET W 537 -0.886 1.467 4.222 1.00 0.00 H new ATOM 0 HG2 MET W 537 -0.285 0.746 1.434 1.00 0.00 H new ATOM 0 HG3 MET W 537 -1.978 1.119 1.691 1.00 0.00 H new ATOM 0 HE1 MET W 537 -2.159 4.823 2.251 1.00 0.00 H new ATOM 0 HE2 MET W 537 -2.846 3.418 1.402 1.00 0.00 H new ATOM 0 HE3 MET W 537 -2.682 3.394 3.174 1.00 0.00 H new ATOM 250 N GLN W 538 1.911 0.865 5.167 1.00 0.00 N ATOM 251 CA GLN W 538 2.555 1.184 6.435 1.00 0.00 C ATOM 252 C GLN W 538 3.390 2.453 6.305 1.00 0.00 C ATOM 253 O GLN W 538 4.110 2.636 5.323 1.00 0.00 O ATOM 254 CB GLN W 538 3.435 0.020 6.895 1.00 0.00 C ATOM 255 CG GLN W 538 2.788 -0.840 7.969 1.00 0.00 C ATOM 256 CD GLN W 538 3.636 -0.946 9.221 1.00 0.00 C ATOM 257 OE1 GLN W 538 3.439 -0.203 10.183 1.00 0.00 O ATOM 258 NE2 GLN W 538 4.588 -1.871 9.216 1.00 0.00 N ATOM 0 H GLN W 538 2.302 1.356 4.363 1.00 0.00 H new ATOM 0 HA GLN W 538 1.779 1.352 7.181 1.00 0.00 H new ATOM 0 HB2 GLN W 538 3.675 -0.606 6.035 1.00 0.00 H new ATOM 0 HB3 GLN W 538 4.377 0.415 7.275 1.00 0.00 H new ATOM 0 HG2 GLN W 538 1.816 -0.421 8.228 1.00 0.00 H new ATOM 0 HG3 GLN W 538 2.609 -1.839 7.570 1.00 0.00 H new ATOM 0 HE21 GLN W 538 4.717 -2.466 8.397 1.00 0.00 H new ATOM 0 HE22 GLN W 538 5.191 -1.987 10.031 1.00 0.00 H new ATOM 267 N VAL W 539 3.284 3.331 7.295 1.00 0.00 N ATOM 268 CA VAL W 539 4.025 4.588 7.284 1.00 0.00 C ATOM 269 C VAL W 539 5.520 4.356 7.470 1.00 0.00 C ATOM 270 O VAL W 539 5.936 3.500 8.252 1.00 0.00 O ATOM 271 CB VAL W 539 3.526 5.543 8.384 1.00 0.00 C ATOM 272 CG1 VAL W 539 4.164 6.915 8.228 1.00 0.00 C ATOM 273 CG2 VAL W 539 2.010 5.645 8.354 1.00 0.00 C ATOM 0 H VAL W 539 2.693 3.197 8.115 1.00 0.00 H new ATOM 0 HA VAL W 539 3.853 5.043 6.308 1.00 0.00 H new ATOM 0 HB VAL W 539 3.820 5.139 9.353 1.00 0.00 H new ATOM 0 HG11 VAL W 539 3.800 7.577 9.014 1.00 0.00 H new ATOM 0 HG12 VAL W 539 5.247 6.823 8.304 1.00 0.00 H new ATOM 0 HG13 VAL W 539 3.902 7.329 7.254 1.00 0.00 H new ATOM 0 HG21 VAL W 539 1.675 6.324 9.138 1.00 0.00 H new ATOM 0 HG22 VAL W 539 1.690 6.025 7.384 1.00 0.00 H new ATOM 0 HG23 VAL W 539 1.576 4.659 8.518 1.00 0.00 H new ATOM 283 N ALA W 540 6.324 5.126 6.745 1.00 0.00 N ATOM 284 CA ALA W 540 7.774 5.012 6.827 1.00 0.00 C ATOM 285 C ALA W 540 8.378 6.205 7.561 1.00 0.00 C ATOM 286 O ALA W 540 7.693 7.192 7.829 1.00 0.00 O ATOM 287 CB ALA W 540 8.373 4.888 5.433 1.00 0.00 C ATOM 0 H ALA W 540 5.994 5.837 6.093 1.00 0.00 H new ATOM 0 HA ALA W 540 8.012 4.112 7.394 1.00 0.00 H new ATOM 0 HB1 ALA W 540 9.457 4.804 5.509 1.00 0.00 H new ATOM 0 HB2 ALA W 540 7.973 4.000 4.943 1.00 0.00 H new ATOM 0 HB3 ALA W 540 8.118 5.771 4.848 1.00 0.00 H new ATOM 293 N PRO W 541 9.678 6.132 7.895 1.00 0.00 N ATOM 294 CA PRO W 541 10.375 7.211 8.599 1.00 0.00 C ATOM 295 C PRO W 541 10.604 8.431 7.712 1.00 0.00 C ATOM 296 O PRO W 541 10.851 9.532 8.206 1.00 0.00 O ATOM 297 CB PRO W 541 11.709 6.575 8.992 1.00 0.00 C ATOM 298 CG PRO W 541 11.934 5.511 7.974 1.00 0.00 C ATOM 299 CD PRO W 541 10.569 4.991 7.609 1.00 0.00 C ATOM 0 HA PRO W 541 9.799 7.583 9.447 1.00 0.00 H new ATOM 0 HB2 PRO W 541 12.515 7.308 8.983 1.00 0.00 H new ATOM 0 HB3 PRO W 541 11.668 6.158 9.998 1.00 0.00 H new ATOM 0 HG2 PRO W 541 12.446 5.910 7.099 1.00 0.00 H new ATOM 0 HG3 PRO W 541 12.561 4.714 8.374 1.00 0.00 H new ATOM 0 HD2 PRO W 541 10.519 4.696 6.561 1.00 0.00 H new ATOM 0 HD3 PRO W 541 10.302 4.115 8.200 1.00 0.00 H new ATOM 307 N ASN W 542 10.521 8.229 6.400 1.00 0.00 N ATOM 308 CA ASN W 542 10.720 9.316 5.449 1.00 0.00 C ATOM 309 C ASN W 542 9.691 10.422 5.661 1.00 0.00 C ATOM 310 O ASN W 542 9.990 11.603 5.489 1.00 0.00 O ATOM 311 CB ASN W 542 10.635 8.790 4.014 1.00 0.00 C ATOM 312 CG ASN W 542 10.730 9.898 2.983 1.00 0.00 C ATOM 313 OD1 ASN W 542 11.443 10.882 3.177 1.00 0.00 O ATOM 314 ND2 ASN W 542 10.008 9.743 1.879 1.00 0.00 N ATOM 0 H ASN W 542 10.318 7.325 5.973 1.00 0.00 H new ATOM 0 HA ASN W 542 11.713 9.733 5.617 1.00 0.00 H new ATOM 0 HB2 ASN W 542 11.437 8.072 3.846 1.00 0.00 H new ATOM 0 HB3 ASN W 542 9.695 8.255 3.882 1.00 0.00 H new ATOM 0 HD21 ASN W 542 10.031 10.456 1.150 1.00 0.00 H new ATOM 0 HD22 ASN W 542 9.431 8.911 1.760 1.00 0.00 H new ATOM 321 N GLY W 543 8.477 10.031 6.037 1.00 0.00 N ATOM 322 CA GLY W 543 7.426 11.005 6.269 1.00 0.00 C ATOM 323 C GLY W 543 6.135 10.669 5.544 1.00 0.00 C ATOM 324 O GLY W 543 5.092 11.261 5.822 1.00 0.00 O ATOM 0 H GLY W 543 8.203 9.060 6.185 1.00 0.00 H new ATOM 0 HA2 GLY W 543 7.229 11.071 7.339 1.00 0.00 H new ATOM 0 HA3 GLY W 543 7.771 11.988 5.948 1.00 0.00 H new ATOM 328 N ARG W 544 6.197 9.721 4.612 1.00 0.00 N ATOM 329 CA ARG W 544 5.017 9.323 3.854 1.00 0.00 C ATOM 330 C ARG W 544 4.812 7.811 3.908 1.00 0.00 C ATOM 331 O ARG W 544 5.745 7.058 4.185 1.00 0.00 O ATOM 332 CB ARG W 544 5.119 9.814 2.401 1.00 0.00 C ATOM 333 CG ARG W 544 5.913 8.901 1.475 1.00 0.00 C ATOM 334 CD ARG W 544 6.221 9.584 0.151 1.00 0.00 C ATOM 335 NE ARG W 544 5.112 10.416 -0.308 1.00 0.00 N ATOM 336 CZ ARG W 544 3.969 9.926 -0.777 1.00 0.00 C ATOM 337 NH1 ARG W 544 3.788 8.616 -0.857 1.00 0.00 N ATOM 338 NH2 ARG W 544 3.005 10.749 -1.168 1.00 0.00 N ATOM 0 H ARG W 544 7.049 9.217 4.365 1.00 0.00 H new ATOM 0 HA ARG W 544 4.146 9.791 4.312 1.00 0.00 H new ATOM 0 HB2 ARG W 544 4.112 9.930 1.999 1.00 0.00 H new ATOM 0 HB3 ARG W 544 5.579 10.802 2.397 1.00 0.00 H new ATOM 0 HG2 ARG W 544 6.844 8.609 1.961 1.00 0.00 H new ATOM 0 HG3 ARG W 544 5.349 7.987 1.292 1.00 0.00 H new ATOM 0 HD2 ARG W 544 7.114 10.199 0.260 1.00 0.00 H new ATOM 0 HD3 ARG W 544 6.444 8.829 -0.603 1.00 0.00 H new ATOM 0 HE ARG W 544 5.221 11.429 -0.266 1.00 0.00 H new ATOM 0 HH11 ARG W 544 4.527 7.980 -0.558 1.00 0.00 H new ATOM 0 HH12 ARG W 544 2.909 8.244 -1.217 1.00 0.00 H new ATOM 0 HH21 ARG W 544 3.141 11.758 -1.109 1.00 0.00 H new ATOM 0 HH22 ARG W 544 2.128 10.373 -1.528 1.00 0.00 H new ATOM 352 N THR W 545 3.582 7.378 3.647 1.00 0.00 N ATOM 353 CA THR W 545 3.249 5.959 3.665 1.00 0.00 C ATOM 354 C THR W 545 3.616 5.290 2.349 1.00 0.00 C ATOM 355 O THR W 545 3.537 5.905 1.286 1.00 0.00 O ATOM 356 CB THR W 545 1.752 5.725 3.929 1.00 0.00 C ATOM 357 OG1 THR W 545 0.995 6.870 3.513 1.00 0.00 O ATOM 358 CG2 THR W 545 1.496 5.450 5.403 1.00 0.00 C ATOM 0 H THR W 545 2.799 7.991 3.420 1.00 0.00 H new ATOM 0 HA THR W 545 3.829 5.520 4.477 1.00 0.00 H new ATOM 0 HB THR W 545 1.438 4.853 3.355 1.00 0.00 H new ATOM 0 HG1 THR W 545 0.043 6.712 3.683 1.00 0.00 H new ATOM 0 HG21 THR W 545 0.430 5.288 5.563 1.00 0.00 H new ATOM 0 HG22 THR W 545 2.048 4.561 5.709 1.00 0.00 H new ATOM 0 HG23 THR W 545 1.826 6.304 5.995 1.00 0.00 H new ATOM 366 N PHE W 546 4.013 4.026 2.428 1.00 0.00 N ATOM 367 CA PHE W 546 4.387 3.276 1.240 1.00 0.00 C ATOM 368 C PHE W 546 3.536 2.018 1.095 1.00 0.00 C ATOM 369 O PHE W 546 2.917 1.561 2.056 1.00 0.00 O ATOM 370 CB PHE W 546 5.865 2.897 1.291 1.00 0.00 C ATOM 371 CG PHE W 546 6.281 2.262 2.586 1.00 0.00 C ATOM 372 CD1 PHE W 546 6.366 3.014 3.748 1.00 0.00 C ATOM 373 CD2 PHE W 546 6.583 0.911 2.643 1.00 0.00 C ATOM 374 CE1 PHE W 546 6.747 2.427 4.941 1.00 0.00 C ATOM 375 CE2 PHE W 546 6.964 0.321 3.831 1.00 0.00 C ATOM 376 CZ PHE W 546 7.047 1.080 4.982 1.00 0.00 C ATOM 0 H PHE W 546 4.084 3.502 3.300 1.00 0.00 H new ATOM 0 HA PHE W 546 4.212 3.914 0.374 1.00 0.00 H new ATOM 0 HB2 PHE W 546 6.083 2.210 0.473 1.00 0.00 H new ATOM 0 HB3 PHE W 546 6.466 3.791 1.125 1.00 0.00 H new ATOM 0 HD1 PHE W 546 6.132 4.068 3.721 1.00 0.00 H new ATOM 0 HD2 PHE W 546 6.519 0.312 1.747 1.00 0.00 H new ATOM 0 HE1 PHE W 546 6.810 3.022 5.840 1.00 0.00 H new ATOM 0 HE2 PHE W 546 7.197 -0.733 3.861 1.00 0.00 H new ATOM 0 HZ PHE W 546 7.346 0.621 5.913 1.00 0.00 H new ATOM 386 N PHE W 547 3.513 1.464 -0.113 1.00 0.00 N ATOM 387 CA PHE W 547 2.742 0.258 -0.385 1.00 0.00 C ATOM 388 C PHE W 547 3.647 -0.965 -0.448 1.00 0.00 C ATOM 389 O PHE W 547 4.583 -1.020 -1.246 1.00 0.00 O ATOM 390 CB PHE W 547 1.969 0.402 -1.697 1.00 0.00 C ATOM 391 CG PHE W 547 0.512 0.710 -1.503 1.00 0.00 C ATOM 392 CD1 PHE W 547 0.104 1.982 -1.131 1.00 0.00 C ATOM 393 CD2 PHE W 547 -0.449 -0.271 -1.686 1.00 0.00 C ATOM 394 CE1 PHE W 547 -1.235 2.268 -0.948 1.00 0.00 C ATOM 395 CE2 PHE W 547 -1.790 0.010 -1.505 1.00 0.00 C ATOM 396 CZ PHE W 547 -2.184 1.282 -1.135 1.00 0.00 C ATOM 0 H PHE W 547 4.020 1.832 -0.918 1.00 0.00 H new ATOM 0 HA PHE W 547 2.033 0.122 0.432 1.00 0.00 H new ATOM 0 HB2 PHE W 547 2.424 1.194 -2.292 1.00 0.00 H new ATOM 0 HB3 PHE W 547 2.064 -0.521 -2.269 1.00 0.00 H new ATOM 0 HD1 PHE W 547 0.841 2.757 -0.983 1.00 0.00 H new ATOM 0 HD2 PHE W 547 -0.147 -1.267 -1.974 1.00 0.00 H new ATOM 0 HE1 PHE W 547 -1.540 3.263 -0.659 1.00 0.00 H new ATOM 0 HE2 PHE W 547 -2.529 -0.763 -1.653 1.00 0.00 H new ATOM 0 HZ PHE W 547 -3.231 1.504 -0.992 1.00 0.00 H new ATOM 406 N ILE W 548 3.358 -1.943 0.400 1.00 0.00 N ATOM 407 CA ILE W 548 4.140 -3.170 0.445 1.00 0.00 C ATOM 408 C ILE W 548 3.716 -4.124 -0.665 1.00 0.00 C ATOM 409 O ILE W 548 2.527 -4.341 -0.888 1.00 0.00 O ATOM 410 CB ILE W 548 3.995 -3.874 1.809 1.00 0.00 C ATOM 411 CG1 ILE W 548 4.471 -2.951 2.931 1.00 0.00 C ATOM 412 CG2 ILE W 548 4.776 -5.181 1.826 1.00 0.00 C ATOM 413 CD1 ILE W 548 3.353 -2.455 3.823 1.00 0.00 C ATOM 0 H ILE W 548 2.587 -1.910 1.067 1.00 0.00 H new ATOM 0 HA ILE W 548 5.185 -2.895 0.301 1.00 0.00 H new ATOM 0 HB ILE W 548 2.942 -4.106 1.969 1.00 0.00 H new ATOM 0 HG12 ILE W 548 5.203 -3.481 3.541 1.00 0.00 H new ATOM 0 HG13 ILE W 548 4.982 -2.094 2.493 1.00 0.00 H new ATOM 0 HG21 ILE W 548 4.660 -5.661 2.798 1.00 0.00 H new ATOM 0 HG22 ILE W 548 4.396 -5.842 1.047 1.00 0.00 H new ATOM 0 HG23 ILE W 548 5.831 -4.977 1.646 1.00 0.00 H new ATOM 0 HD11 ILE W 548 3.765 -1.806 4.596 1.00 0.00 H new ATOM 0 HD12 ILE W 548 2.632 -1.896 3.226 1.00 0.00 H new ATOM 0 HD13 ILE W 548 2.856 -3.305 4.290 1.00 0.00 H new ATOM 425 N ASP W 549 4.697 -4.687 -1.360 1.00 0.00 N ATOM 426 CA ASP W 549 4.425 -5.618 -2.450 1.00 0.00 C ATOM 427 C ASP W 549 4.796 -7.043 -2.055 1.00 0.00 C ATOM 428 O ASP W 549 5.975 -7.388 -1.969 1.00 0.00 O ATOM 429 CB ASP W 549 5.196 -5.205 -3.703 1.00 0.00 C ATOM 430 CG ASP W 549 5.011 -6.187 -4.845 1.00 0.00 C ATOM 431 OD1 ASP W 549 3.861 -6.608 -5.086 1.00 0.00 O ATOM 432 OD2 ASP W 549 6.018 -6.533 -5.498 1.00 0.00 O ATOM 0 H ASP W 549 5.688 -4.516 -1.189 1.00 0.00 H new ATOM 0 HA ASP W 549 3.356 -5.588 -2.663 1.00 0.00 H new ATOM 0 HB2 ASP W 549 4.865 -4.216 -4.020 1.00 0.00 H new ATOM 0 HB3 ASP W 549 6.256 -5.125 -3.464 1.00 0.00 H new ATOM 437 N HIS W 550 3.781 -7.868 -1.816 1.00 0.00 N ATOM 438 CA HIS W 550 3.999 -9.258 -1.429 1.00 0.00 C ATOM 439 C HIS W 550 4.346 -10.115 -2.641 1.00 0.00 C ATOM 440 O HIS W 550 5.016 -11.140 -2.519 1.00 0.00 O ATOM 441 CB HIS W 550 2.751 -9.815 -0.740 1.00 0.00 C ATOM 442 CG HIS W 550 2.369 -9.069 0.498 1.00 0.00 C ATOM 443 ND1 HIS W 550 2.309 -9.692 1.721 1.00 0.00 N ATOM 444 CD2 HIS W 550 2.037 -7.764 0.648 1.00 0.00 C ATOM 445 CE1 HIS W 550 1.944 -8.759 2.583 1.00 0.00 C ATOM 446 NE2 HIS W 550 1.767 -7.575 1.980 1.00 0.00 N ATOM 0 H HIS W 550 2.800 -7.598 -1.883 1.00 0.00 H new ATOM 0 HA HIS W 550 4.838 -9.288 -0.734 1.00 0.00 H new ATOM 0 HB2 HIS W 550 1.917 -9.790 -1.441 1.00 0.00 H new ATOM 0 HB3 HIS W 550 2.923 -10.861 -0.486 1.00 0.00 H new ATOM 0 HD1 HIS W 550 2.506 -10.672 1.922 1.00 0.00 H new ATOM 0 HD2 HIS W 550 1.993 -7.017 -0.131 1.00 0.00 H new ATOM 0 HE1 HIS W 550 1.806 -8.929 3.641 1.00 0.00 H new ATOM 454 N ALA W 551 3.883 -9.690 -3.812 1.00 0.00 N ATOM 455 CA ALA W 551 4.141 -10.418 -5.046 1.00 0.00 C ATOM 456 C ALA W 551 5.637 -10.604 -5.274 1.00 0.00 C ATOM 457 O ALA W 551 6.059 -11.548 -5.944 1.00 0.00 O ATOM 458 CB ALA W 551 3.511 -9.695 -6.228 1.00 0.00 C ATOM 0 H ALA W 551 3.326 -8.844 -3.931 1.00 0.00 H new ATOM 0 HA ALA W 551 3.689 -11.406 -4.955 1.00 0.00 H new ATOM 0 HB1 ALA W 551 3.712 -10.251 -7.144 1.00 0.00 H new ATOM 0 HB2 ALA W 551 2.434 -9.621 -6.077 1.00 0.00 H new ATOM 0 HB3 ALA W 551 3.935 -8.694 -6.310 1.00 0.00 H new ATOM 464 N SER W 552 6.435 -9.701 -4.717 1.00 0.00 N ATOM 465 CA SER W 552 7.884 -9.770 -4.866 1.00 0.00 C ATOM 466 C SER W 552 8.599 -9.270 -3.611 1.00 0.00 C ATOM 467 O SER W 552 9.792 -8.967 -3.650 1.00 0.00 O ATOM 468 CB SER W 552 8.327 -8.950 -6.078 1.00 0.00 C ATOM 469 OG SER W 552 8.972 -9.766 -7.040 1.00 0.00 O ATOM 0 H SER W 552 6.104 -8.914 -4.159 1.00 0.00 H new ATOM 0 HA SER W 552 8.155 -10.815 -5.016 1.00 0.00 H new ATOM 0 HB2 SER W 552 7.461 -8.466 -6.529 1.00 0.00 H new ATOM 0 HB3 SER W 552 9.003 -8.158 -5.757 1.00 0.00 H new ATOM 0 HG SER W 552 9.243 -9.217 -7.805 1.00 0.00 H new ATOM 475 N ARG W 553 7.871 -9.188 -2.500 1.00 0.00 N ATOM 476 CA ARG W 553 8.451 -8.726 -1.244 1.00 0.00 C ATOM 477 C ARG W 553 9.202 -7.412 -1.438 1.00 0.00 C ATOM 478 O ARG W 553 10.423 -7.356 -1.292 1.00 0.00 O ATOM 479 CB ARG W 553 9.396 -9.787 -0.678 1.00 0.00 C ATOM 480 CG ARG W 553 8.691 -10.866 0.129 1.00 0.00 C ATOM 481 CD ARG W 553 7.896 -11.804 -0.768 1.00 0.00 C ATOM 482 NE ARG W 553 7.306 -12.910 -0.019 1.00 0.00 N ATOM 483 CZ ARG W 553 8.013 -13.911 0.497 1.00 0.00 C ATOM 484 NH1 ARG W 553 9.329 -13.945 0.343 1.00 0.00 N ATOM 485 NH2 ARG W 553 7.403 -14.879 1.168 1.00 0.00 N ATOM 0 H ARG W 553 6.883 -9.435 -2.445 1.00 0.00 H new ATOM 0 HA ARG W 553 7.638 -8.556 -0.538 1.00 0.00 H new ATOM 0 HB2 ARG W 553 9.936 -10.256 -1.501 1.00 0.00 H new ATOM 0 HB3 ARG W 553 10.138 -9.300 -0.046 1.00 0.00 H new ATOM 0 HG2 ARG W 553 9.427 -11.438 0.694 1.00 0.00 H new ATOM 0 HG3 ARG W 553 8.023 -10.401 0.854 1.00 0.00 H new ATOM 0 HD2 ARG W 553 7.106 -11.244 -1.269 1.00 0.00 H new ATOM 0 HD3 ARG W 553 8.548 -12.201 -1.546 1.00 0.00 H new ATOM 0 HE ARG W 553 6.295 -12.915 0.116 1.00 0.00 H new ATOM 0 HH11 ARG W 553 9.802 -13.202 -0.172 1.00 0.00 H new ATOM 0 HH12 ARG W 553 9.869 -14.714 0.740 1.00 0.00 H new ATOM 0 HH21 ARG W 553 6.390 -14.856 1.289 1.00 0.00 H new ATOM 0 HH22 ARG W 553 7.946 -15.646 1.563 1.00 0.00 H new ATOM 499 N ARG W 554 8.465 -6.356 -1.769 1.00 0.00 N ATOM 500 CA ARG W 554 9.064 -5.043 -1.985 1.00 0.00 C ATOM 501 C ARG W 554 8.183 -3.937 -1.411 1.00 0.00 C ATOM 502 O ARG W 554 7.307 -4.191 -0.586 1.00 0.00 O ATOM 503 CB ARG W 554 9.293 -4.803 -3.479 1.00 0.00 C ATOM 504 CG ARG W 554 9.824 -6.018 -4.218 1.00 0.00 C ATOM 505 CD ARG W 554 11.277 -6.295 -3.866 1.00 0.00 C ATOM 506 NE ARG W 554 12.146 -6.219 -5.037 1.00 0.00 N ATOM 507 CZ ARG W 554 13.376 -6.723 -5.075 1.00 0.00 C ATOM 508 NH1 ARG W 554 13.878 -7.335 -4.013 1.00 0.00 N ATOM 509 NH2 ARG W 554 14.103 -6.615 -6.179 1.00 0.00 N ATOM 0 H ARG W 554 7.453 -6.384 -1.893 1.00 0.00 H new ATOM 0 HA ARG W 554 10.023 -5.022 -1.468 1.00 0.00 H new ATOM 0 HB2 ARG W 554 8.353 -4.493 -3.936 1.00 0.00 H new ATOM 0 HB3 ARG W 554 9.995 -3.978 -3.602 1.00 0.00 H new ATOM 0 HG2 ARG W 554 9.217 -6.889 -3.971 1.00 0.00 H new ATOM 0 HG3 ARG W 554 9.733 -5.860 -5.293 1.00 0.00 H new ATOM 0 HD2 ARG W 554 11.612 -5.577 -3.118 1.00 0.00 H new ATOM 0 HD3 ARG W 554 11.359 -7.285 -3.417 1.00 0.00 H new ATOM 0 HE ARG W 554 11.790 -5.754 -5.872 1.00 0.00 H new ATOM 0 HH11 ARG W 554 13.321 -7.421 -3.163 1.00 0.00 H new ATOM 0 HH12 ARG W 554 14.822 -7.721 -4.045 1.00 0.00 H new ATOM 0 HH21 ARG W 554 13.719 -6.145 -6.999 1.00 0.00 H new ATOM 0 HH22 ARG W 554 15.046 -7.002 -6.208 1.00 0.00 H new ATOM 523 N THR W 555 8.423 -2.708 -1.859 1.00 0.00 N ATOM 524 CA THR W 555 7.655 -1.558 -1.397 1.00 0.00 C ATOM 525 C THR W 555 7.705 -0.425 -2.414 1.00 0.00 C ATOM 526 O THR W 555 8.575 -0.397 -3.284 1.00 0.00 O ATOM 527 CB THR W 555 8.176 -1.038 -0.046 1.00 0.00 C ATOM 528 OG1 THR W 555 9.574 -0.742 -0.141 1.00 0.00 O ATOM 529 CG2 THR W 555 7.943 -2.061 1.056 1.00 0.00 C ATOM 0 H THR W 555 9.145 -2.483 -2.543 1.00 0.00 H new ATOM 0 HA THR W 555 6.625 -1.894 -1.275 1.00 0.00 H new ATOM 0 HB THR W 555 7.628 -0.129 0.203 1.00 0.00 H new ATOM 0 HG1 THR W 555 9.793 -0.001 0.462 1.00 0.00 H new ATOM 0 HG21 THR W 555 8.320 -1.670 2.001 1.00 0.00 H new ATOM 0 HG22 THR W 555 6.875 -2.262 1.146 1.00 0.00 H new ATOM 0 HG23 THR W 555 8.467 -2.985 0.811 1.00 0.00 H new ATOM 537 N THR W 556 6.767 0.510 -2.301 1.00 0.00 N ATOM 538 CA THR W 556 6.708 1.644 -3.215 1.00 0.00 C ATOM 539 C THR W 556 5.996 2.832 -2.579 1.00 0.00 C ATOM 540 O THR W 556 5.360 2.703 -1.533 1.00 0.00 O ATOM 541 CB THR W 556 5.988 1.270 -4.524 1.00 0.00 C ATOM 542 OG1 THR W 556 6.087 2.347 -5.464 1.00 0.00 O ATOM 543 CG2 THR W 556 4.522 0.954 -4.265 1.00 0.00 C ATOM 0 H THR W 556 6.039 0.505 -1.587 1.00 0.00 H new ATOM 0 HA THR W 556 7.738 1.922 -3.439 1.00 0.00 H new ATOM 0 HB THR W 556 6.469 0.382 -4.935 1.00 0.00 H new ATOM 0 HG1 THR W 556 5.628 2.100 -6.294 1.00 0.00 H new ATOM 0 HG21 THR W 556 4.035 0.693 -5.204 1.00 0.00 H new ATOM 0 HG22 THR W 556 4.447 0.116 -3.572 1.00 0.00 H new ATOM 0 HG23 THR W 556 4.033 1.827 -3.833 1.00 0.00 H new ATOM 551 N TRP W 557 6.114 3.990 -3.217 1.00 0.00 N ATOM 552 CA TRP W 557 5.487 5.209 -2.718 1.00 0.00 C ATOM 553 C TRP W 557 4.116 5.430 -3.347 1.00 0.00 C ATOM 554 O TRP W 557 3.284 6.158 -2.805 1.00 0.00 O ATOM 555 CB TRP W 557 6.383 6.418 -2.995 1.00 0.00 C ATOM 556 CG TRP W 557 7.573 6.490 -2.096 1.00 0.00 C ATOM 557 CD1 TRP W 557 8.873 6.673 -2.462 1.00 0.00 C ATOM 558 CD2 TRP W 557 7.568 6.376 -0.674 1.00 0.00 C ATOM 559 NE1 TRP W 557 9.679 6.677 -1.351 1.00 0.00 N ATOM 560 CE2 TRP W 557 8.899 6.497 -0.237 1.00 0.00 C ATOM 561 CE3 TRP W 557 6.562 6.185 0.273 1.00 0.00 C ATOM 562 CZ2 TRP W 557 9.250 6.430 1.109 1.00 0.00 C ATOM 563 CZ3 TRP W 557 6.908 6.119 1.608 1.00 0.00 C ATOM 564 CH2 TRP W 557 8.243 6.242 2.016 1.00 0.00 C ATOM 0 H TRP W 557 6.639 4.111 -4.083 1.00 0.00 H new ATOM 0 HA TRP W 557 5.354 5.095 -1.642 1.00 0.00 H new ATOM 0 HB2 TRP W 557 6.721 6.381 -4.031 1.00 0.00 H new ATOM 0 HB3 TRP W 557 5.796 7.330 -2.883 1.00 0.00 H new ATOM 0 HD1 TRP W 557 9.218 6.797 -3.478 1.00 0.00 H new ATOM 0 HE1 TRP W 557 10.692 6.795 -1.353 1.00 0.00 H new ATOM 0 HE3 TRP W 557 5.530 6.090 -0.033 1.00 0.00 H new ATOM 0 HZ2 TRP W 557 10.279 6.523 1.425 1.00 0.00 H new ATOM 0 HZ3 TRP W 557 6.137 5.970 2.350 1.00 0.00 H new ATOM 0 HH2 TRP W 557 8.482 6.187 3.068 1.00 0.00 H new ATOM 575 N ILE W 558 3.890 4.809 -4.496 1.00 0.00 N ATOM 576 CA ILE W 558 2.625 4.950 -5.201 1.00 0.00 C ATOM 577 C ILE W 558 1.771 3.695 -5.064 1.00 0.00 C ATOM 578 O ILE W 558 2.258 2.577 -5.232 1.00 0.00 O ATOM 579 CB ILE W 558 2.865 5.252 -6.688 1.00 0.00 C ATOM 580 CG1 ILE W 558 3.844 6.427 -6.822 1.00 0.00 C ATOM 581 CG2 ILE W 558 1.547 5.534 -7.399 1.00 0.00 C ATOM 582 CD1 ILE W 558 3.199 7.793 -6.686 1.00 0.00 C ATOM 0 H ILE W 558 4.567 4.203 -4.960 1.00 0.00 H new ATOM 0 HA ILE W 558 2.089 5.784 -4.748 1.00 0.00 H new ATOM 0 HB ILE W 558 3.309 4.379 -7.167 1.00 0.00 H new ATOM 0 HG12 ILE W 558 4.620 6.327 -6.063 1.00 0.00 H new ATOM 0 HG13 ILE W 558 4.337 6.366 -7.792 1.00 0.00 H new ATOM 0 HG21 ILE W 558 1.739 5.746 -8.451 1.00 0.00 H new ATOM 0 HG22 ILE W 558 0.896 4.664 -7.317 1.00 0.00 H new ATOM 0 HG23 ILE W 558 1.062 6.395 -6.939 1.00 0.00 H new ATOM 0 HD11 ILE W 558 3.959 8.567 -6.793 1.00 0.00 H new ATOM 0 HD12 ILE W 558 2.443 7.917 -7.461 1.00 0.00 H new ATOM 0 HD13 ILE W 558 2.730 7.878 -5.706 1.00 0.00 H new ATOM 594 N ASP W 559 0.494 3.891 -4.751 1.00 0.00 N ATOM 595 CA ASP W 559 -0.432 2.779 -4.581 1.00 0.00 C ATOM 596 C ASP W 559 -0.726 2.095 -5.915 1.00 0.00 C ATOM 597 O ASP W 559 -0.815 2.753 -6.951 1.00 0.00 O ATOM 598 CB ASP W 559 -1.737 3.270 -3.950 1.00 0.00 C ATOM 599 CG ASP W 559 -2.372 4.402 -4.735 1.00 0.00 C ATOM 600 OD1 ASP W 559 -2.381 4.328 -5.981 1.00 0.00 O ATOM 601 OD2 ASP W 559 -2.860 5.361 -4.102 1.00 0.00 O ATOM 0 H ASP W 559 0.077 4.811 -4.610 1.00 0.00 H new ATOM 0 HA ASP W 559 0.037 2.050 -3.920 1.00 0.00 H new ATOM 0 HB2 ASP W 559 -2.440 2.439 -3.884 1.00 0.00 H new ATOM 0 HB3 ASP W 559 -1.541 3.604 -2.931 1.00 0.00 H new ATOM 606 N PRO W 560 -0.888 0.761 -5.905 1.00 0.00 N ATOM 607 CA PRO W 560 -1.181 -0.006 -7.108 1.00 0.00 C ATOM 608 C PRO W 560 -2.677 -0.089 -7.391 1.00 0.00 C ATOM 609 O PRO W 560 -3.092 -0.360 -8.518 1.00 0.00 O ATOM 610 CB PRO W 560 -0.618 -1.390 -6.785 1.00 0.00 C ATOM 611 CG PRO W 560 -0.574 -1.487 -5.289 1.00 0.00 C ATOM 612 CD PRO W 560 -0.808 -0.107 -4.721 1.00 0.00 C ATOM 0 HA PRO W 560 -0.750 0.448 -8.000 1.00 0.00 H new ATOM 0 HB2 PRO W 560 -1.247 -2.174 -7.207 1.00 0.00 H new ATOM 0 HB3 PRO W 560 0.377 -1.515 -7.212 1.00 0.00 H new ATOM 0 HG2 PRO W 560 -1.335 -2.180 -4.930 1.00 0.00 H new ATOM 0 HG3 PRO W 560 0.390 -1.875 -4.961 1.00 0.00 H new ATOM 0 HD2 PRO W 560 -1.727 -0.068 -4.136 1.00 0.00 H new ATOM 0 HD3 PRO W 560 0.004 0.195 -4.060 1.00 0.00 H new ATOM 620 N ARG W 561 -3.481 0.146 -6.359 1.00 0.00 N ATOM 621 CA ARG W 561 -4.931 0.099 -6.490 1.00 0.00 C ATOM 622 C ARG W 561 -5.415 1.060 -7.574 1.00 0.00 C ATOM 623 O ARG W 561 -6.457 0.839 -8.192 1.00 0.00 O ATOM 624 CB ARG W 561 -5.591 0.442 -5.154 1.00 0.00 C ATOM 625 CG ARG W 561 -4.897 1.569 -4.406 1.00 0.00 C ATOM 626 CD ARG W 561 -5.891 2.426 -3.639 1.00 0.00 C ATOM 627 NE ARG W 561 -5.853 2.156 -2.206 1.00 0.00 N ATOM 628 CZ ARG W 561 -6.312 2.999 -1.287 1.00 0.00 C ATOM 629 NH1 ARG W 561 -6.822 4.167 -1.650 1.00 0.00 N ATOM 630 NH2 ARG W 561 -6.261 2.672 -0.002 1.00 0.00 N ATOM 0 H ARG W 561 -3.151 0.371 -5.421 1.00 0.00 H new ATOM 0 HA ARG W 561 -5.213 -0.913 -6.780 1.00 0.00 H new ATOM 0 HB2 ARG W 561 -6.630 0.720 -5.332 1.00 0.00 H new ATOM 0 HB3 ARG W 561 -5.603 -0.448 -4.525 1.00 0.00 H new ATOM 0 HG2 ARG W 561 -4.166 1.151 -3.714 1.00 0.00 H new ATOM 0 HG3 ARG W 561 -4.348 2.192 -5.112 1.00 0.00 H new ATOM 0 HD2 ARG W 561 -5.673 3.479 -3.815 1.00 0.00 H new ATOM 0 HD3 ARG W 561 -6.897 2.241 -4.016 1.00 0.00 H new ATOM 0 HE ARG W 561 -5.452 1.272 -1.892 1.00 0.00 H new ATOM 0 HH11 ARG W 561 -6.863 4.421 -2.637 1.00 0.00 H new ATOM 0 HH12 ARG W 561 -7.174 4.812 -0.942 1.00 0.00 H new ATOM 0 HH21 ARG W 561 -5.869 1.774 0.280 1.00 0.00 H new ATOM 0 HH22 ARG W 561 -6.613 3.319 0.703 1.00 0.00 H new ATOM 644 N ASN W 562 -4.652 2.125 -7.799 1.00 0.00 N ATOM 645 CA ASN W 562 -5.006 3.117 -8.809 1.00 0.00 C ATOM 646 C ASN W 562 -3.759 3.666 -9.497 1.00 0.00 C ATOM 647 O ASN W 562 -3.687 3.721 -10.724 1.00 0.00 O ATOM 648 CB ASN W 562 -5.800 4.263 -8.177 1.00 0.00 C ATOM 649 CG ASN W 562 -5.031 4.963 -7.073 1.00 0.00 C ATOM 650 OD1 ASN W 562 -4.293 5.917 -7.322 1.00 0.00 O ATOM 651 ND2 ASN W 562 -5.201 4.491 -5.845 1.00 0.00 N ATOM 0 H ASN W 562 -3.786 2.323 -7.297 1.00 0.00 H new ATOM 0 HA ASN W 562 -5.626 2.626 -9.559 1.00 0.00 H new ATOM 0 HB2 ASN W 562 -6.062 4.987 -8.948 1.00 0.00 H new ATOM 0 HB3 ASN W 562 -6.735 3.874 -7.774 1.00 0.00 H new ATOM 0 HD21 ASN W 562 -4.710 4.921 -5.061 1.00 0.00 H new ATOM 0 HD22 ASN W 562 -5.823 3.698 -5.685 1.00 0.00 H new ATOM 658 N GLY W 563 -2.778 4.073 -8.697 1.00 0.00 N ATOM 659 CA GLY W 563 -1.549 4.614 -9.247 1.00 0.00 C ATOM 660 C GLY W 563 -1.316 6.055 -8.839 1.00 0.00 C ATOM 661 O GLY W 563 -0.939 6.888 -9.662 1.00 0.00 O ATOM 0 H GLY W 563 -2.813 4.038 -7.678 1.00 0.00 H new ATOM 0 HA2 GLY W 563 -0.708 4.005 -8.916 1.00 0.00 H new ATOM 0 HA3 GLY W 563 -1.581 4.548 -10.335 1.00 0.00 H new ATOM 665 N ARG W 564 -1.541 6.349 -7.562 1.00 0.00 N ATOM 666 CA ARG W 564 -1.354 7.700 -7.043 1.00 0.00 C ATOM 667 C ARG W 564 -0.588 7.676 -5.725 1.00 0.00 C ATOM 668 O ARG W 564 -0.723 6.742 -4.935 1.00 0.00 O ATOM 669 CB ARG W 564 -2.707 8.384 -6.845 1.00 0.00 C ATOM 670 CG ARG W 564 -3.520 8.510 -8.122 1.00 0.00 C ATOM 671 CD ARG W 564 -5.012 8.493 -7.835 1.00 0.00 C ATOM 672 NE ARG W 564 -5.571 9.840 -7.761 1.00 0.00 N ATOM 673 CZ ARG W 564 -6.875 10.096 -7.732 1.00 0.00 C ATOM 674 NH1 ARG W 564 -7.750 9.100 -7.771 1.00 0.00 N ATOM 675 NH2 ARG W 564 -7.303 11.349 -7.666 1.00 0.00 N ATOM 0 H ARG W 564 -1.853 5.670 -6.868 1.00 0.00 H new ATOM 0 HA ARG W 564 -0.771 8.264 -7.771 1.00 0.00 H new ATOM 0 HB2 ARG W 564 -3.284 7.822 -6.111 1.00 0.00 H new ATOM 0 HB3 ARG W 564 -2.544 9.378 -6.429 1.00 0.00 H new ATOM 0 HG2 ARG W 564 -3.257 9.437 -8.632 1.00 0.00 H new ATOM 0 HG3 ARG W 564 -3.269 7.692 -8.797 1.00 0.00 H new ATOM 0 HD2 ARG W 564 -5.525 7.930 -8.615 1.00 0.00 H new ATOM 0 HD3 ARG W 564 -5.194 7.973 -6.895 1.00 0.00 H new ATOM 0 HE ARG W 564 -4.925 10.628 -7.730 1.00 0.00 H new ATOM 0 HH11 ARG W 564 -7.423 8.135 -7.823 1.00 0.00 H new ATOM 0 HH12 ARG W 564 -8.750 9.299 -7.749 1.00 0.00 H new ATOM 0 HH21 ARG W 564 -6.632 12.116 -7.638 1.00 0.00 H new ATOM 0 HH22 ARG W 564 -8.304 11.546 -7.644 1.00 0.00 H new ATOM 689 N ALA W 565 0.215 8.709 -5.492 1.00 0.00 N ATOM 690 CA ALA W 565 1.000 8.804 -4.268 1.00 0.00 C ATOM 691 C ALA W 565 0.109 8.687 -3.036 1.00 0.00 C ATOM 692 O ALA W 565 -0.708 9.566 -2.762 1.00 0.00 O ATOM 693 CB ALA W 565 1.773 10.114 -4.237 1.00 0.00 C ATOM 0 H ALA W 565 0.339 9.491 -6.135 1.00 0.00 H new ATOM 0 HA ALA W 565 1.708 7.976 -4.255 1.00 0.00 H new ATOM 0 HB1 ALA W 565 2.355 10.171 -3.317 1.00 0.00 H new ATOM 0 HB2 ALA W 565 2.444 10.161 -5.095 1.00 0.00 H new ATOM 0 HB3 ALA W 565 1.074 10.950 -4.277 1.00 0.00 H new ATOM 699 N SER W 566 0.271 7.594 -2.296 1.00 0.00 N ATOM 700 CA SER W 566 -0.519 7.362 -1.093 1.00 0.00 C ATOM 701 C SER W 566 -2.008 7.535 -1.376 1.00 0.00 C ATOM 702 O SER W 566 -2.811 6.672 -1.029 1.00 99.99 O ATOM 703 CB SER W 566 -0.084 8.318 0.019 1.00 0.00 C ATOM 704 OG SER W 566 -0.806 8.072 1.214 1.00 0.00 O ATOM 0 H SER W 566 0.942 6.856 -2.509 1.00 0.00 H new ATOM 0 HA SER W 566 -0.348 6.336 -0.769 1.00 0.00 H new ATOM 0 HB2 SER W 566 0.984 8.203 0.205 1.00 0.00 H new ATOM 0 HB3 SER W 566 -0.242 9.348 -0.300 1.00 0.00 H new ATOM 0 HG SER W 566 -0.202 7.700 1.890 1.00 0.00 H new TER 710 SER W 566 ATOM 711 N THR P 227 15.190 9.784 -1.289 1.00 0.00 N ATOM 712 CA THR P 227 15.084 8.341 -0.955 1.00 0.00 C ATOM 713 C THR P 227 14.350 8.134 0.364 1.00 0.00 C ATOM 714 O THR P 227 14.011 9.096 1.055 1.00 0.00 O ATOM 715 CB THR P 227 16.476 7.687 -0.856 1.00 0.00 C ATOM 716 OG1 THR P 227 17.218 8.278 0.217 1.00 0.00 O ATOM 717 CG2 THR P 227 17.244 7.847 -2.158 1.00 0.00 C ATOM 0 HA THR P 227 14.521 7.871 -1.761 1.00 0.00 H new ATOM 0 HB THR P 227 16.340 6.623 -0.662 1.00 0.00 H new ATOM 0 HG1 THR P 227 17.007 9.233 0.274 1.00 0.00 H new ATOM 0 HG21 THR P 227 18.223 7.377 -2.063 1.00 0.00 H new ATOM 0 HG22 THR P 227 16.690 7.372 -2.968 1.00 0.00 H new ATOM 0 HG23 THR P 227 17.370 8.907 -2.378 1.00 0.00 H new ATOM 727 N GLY P 228 14.106 6.874 0.710 1.00 0.00 N ATOM 728 CA GLY P 228 13.413 6.565 1.947 1.00 0.00 C ATOM 729 C GLY P 228 12.547 5.327 1.834 1.00 0.00 C ATOM 730 O GLY P 228 12.327 4.626 2.821 1.00 0.00 O ATOM 0 H GLY P 228 14.376 6.061 0.156 1.00 0.00 H new ATOM 0 HA2 GLY P 228 14.144 6.422 2.743 1.00 0.00 H new ATOM 0 HA3 GLY P 228 12.792 7.414 2.233 1.00 0.00 H new ATOM 734 N LEU P 229 12.053 5.057 0.628 1.00 0.00 N ATOM 735 CA LEU P 229 11.206 3.892 0.390 1.00 0.00 C ATOM 736 C LEU P 229 11.825 2.633 0.993 1.00 0.00 C ATOM 737 O LEU P 229 12.763 2.068 0.431 1.00 0.00 O ATOM 738 CB LEU P 229 10.988 3.687 -1.110 1.00 0.00 C ATOM 739 CG LEU P 229 10.245 2.405 -1.485 1.00 0.00 C ATOM 740 CD1 LEU P 229 8.805 2.461 -0.998 1.00 0.00 C ATOM 741 CD2 LEU P 229 10.295 2.182 -2.989 1.00 0.00 C ATOM 0 H LEU P 229 12.225 5.629 -0.199 1.00 0.00 H new ATOM 0 HA LEU P 229 10.245 4.075 0.872 1.00 0.00 H new ATOM 0 HB2 LEU P 229 10.432 4.539 -1.501 1.00 0.00 H new ATOM 0 HB3 LEU P 229 11.959 3.685 -1.606 1.00 0.00 H new ATOM 0 HG LEU P 229 10.738 1.564 -0.997 1.00 0.00 H new ATOM 0 HD11 LEU P 229 8.292 1.540 -1.274 1.00 0.00 H new ATOM 0 HD12 LEU P 229 8.792 2.573 0.086 1.00 0.00 H new ATOM 0 HD13 LEU P 229 8.299 3.310 -1.457 1.00 0.00 H new ATOM 0 HD21 LEU P 229 9.761 1.265 -3.239 1.00 0.00 H new ATOM 0 HD22 LEU P 229 9.826 3.025 -3.498 1.00 0.00 H new ATOM 0 HD23 LEU P 229 11.333 2.096 -3.310 1.00 0.00 H new ATOM 753 N PRO P 230 11.308 2.172 2.144 1.00 0.00 N ATOM 754 CA PRO P 230 11.822 0.970 2.805 1.00 0.00 C ATOM 755 C PRO P 230 11.727 -0.254 1.900 1.00 0.00 C ATOM 756 O PRO P 230 11.772 -0.133 0.676 1.00 0.00 O ATOM 757 CB PRO P 230 10.913 0.807 4.029 1.00 0.00 C ATOM 758 CG PRO P 230 10.308 2.153 4.246 1.00 0.00 C ATOM 759 CD PRO P 230 10.186 2.772 2.884 1.00 0.00 C ATOM 0 HA PRO P 230 12.877 1.063 3.063 1.00 0.00 H new ATOM 0 HB2 PRO P 230 10.145 0.054 3.852 1.00 0.00 H new ATOM 0 HB3 PRO P 230 11.481 0.485 4.902 1.00 0.00 H new ATOM 0 HG2 PRO P 230 9.333 2.070 4.727 1.00 0.00 H new ATOM 0 HG3 PRO P 230 10.934 2.762 4.898 1.00 0.00 H new ATOM 0 HD2 PRO P 230 9.227 2.540 2.420 1.00 0.00 H new ATOM 0 HD3 PRO P 230 10.266 3.858 2.926 1.00 0.00 H new ATOM 767 N SER P 231 11.595 -1.428 2.503 1.00 0.00 N ATOM 768 CA SER P 231 11.491 -2.664 1.739 1.00 0.00 C ATOM 769 C SER P 231 10.791 -3.748 2.549 1.00 0.00 C ATOM 770 O SER P 231 10.843 -3.748 3.779 1.00 0.00 O ATOM 771 CB SER P 231 12.877 -3.147 1.311 1.00 0.00 C ATOM 772 OG SER P 231 13.795 -3.085 2.389 1.00 0.00 O ATOM 0 H SER P 231 11.558 -1.550 3.515 1.00 0.00 H new ATOM 0 HA SER P 231 10.896 -2.459 0.849 1.00 0.00 H new ATOM 0 HB2 SER P 231 12.811 -4.171 0.944 1.00 0.00 H new ATOM 0 HB3 SER P 231 13.240 -2.535 0.485 1.00 0.00 H new ATOM 0 HG SER P 231 14.673 -3.401 2.090 1.00 0.00 H new ATOM 778 N TYR P 232 10.135 -4.668 1.851 1.00 0.00 N ATOM 779 CA TYR P 232 9.424 -5.758 2.503 1.00 0.00 C ATOM 780 C TYR P 232 10.358 -6.537 3.426 1.00 0.00 C ATOM 781 O TYR P 232 10.963 -7.528 3.019 1.00 0.00 O ATOM 782 CB TYR P 232 8.820 -6.693 1.453 1.00 0.00 C ATOM 783 CG TYR P 232 7.765 -7.628 2.003 1.00 0.00 C ATOM 784 CD1 TYR P 232 8.077 -8.560 2.984 1.00 0.00 C ATOM 785 CD2 TYR P 232 6.457 -7.578 1.538 1.00 0.00 C ATOM 786 CE1 TYR P 232 7.115 -9.416 3.487 1.00 0.00 C ATOM 787 CE2 TYR P 232 5.490 -8.429 2.036 1.00 0.00 C ATOM 788 CZ TYR P 232 5.824 -9.346 3.010 1.00 0.00 C ATOM 789 OH TYR P 232 4.864 -10.196 3.508 1.00 0.00 O ATOM 0 H TYR P 232 10.082 -4.679 0.832 1.00 0.00 H new ATOM 0 HA TYR P 232 8.621 -5.334 3.106 1.00 0.00 H new ATOM 0 HB2 TYR P 232 8.381 -6.093 0.656 1.00 0.00 H new ATOM 0 HB3 TYR P 232 9.618 -7.284 1.004 1.00 0.00 H new ATOM 0 HD1 TYR P 232 9.088 -8.617 3.360 1.00 0.00 H new ATOM 0 HD2 TYR P 232 6.192 -6.862 0.774 1.00 0.00 H new ATOM 0 HE1 TYR P 232 7.374 -10.136 4.250 1.00 0.00 H new ATOM 0 HE2 TYR P 232 4.477 -8.376 1.664 1.00 0.00 H new ATOM 0 HH TYR P 232 4.077 -10.178 2.925 1.00 0.00 H new ATOM 799 N ASP P 233 10.471 -6.080 4.669 1.00 0.00 N ATOM 800 CA ASP P 233 11.333 -6.731 5.648 1.00 0.00 C ATOM 801 C ASP P 233 11.239 -6.035 7.002 1.00 0.00 C ATOM 802 O ASP P 233 10.749 -6.610 7.975 1.00 0.00 O ATOM 803 CB ASP P 233 12.783 -6.730 5.161 1.00 0.00 C ATOM 804 CG ASP P 233 13.663 -7.673 5.957 1.00 0.00 C ATOM 805 OD1 ASP P 233 13.121 -8.617 6.568 1.00 0.00 O ATOM 806 OD2 ASP P 233 14.895 -7.467 5.969 1.00 0.00 O ATOM 0 H ASP P 233 9.976 -5.261 5.022 1.00 0.00 H new ATOM 0 HA ASP P 233 10.997 -7.761 5.765 1.00 0.00 H new ATOM 0 HB2 ASP P 233 12.810 -7.014 4.109 1.00 0.00 H new ATOM 0 HB3 ASP P 233 13.185 -5.719 5.228 1.00 0.00 H new ATOM 811 N GLU P 234 11.709 -4.793 7.059 1.00 0.00 N ATOM 812 CA GLU P 234 11.675 -4.018 8.293 1.00 0.00 C ATOM 813 C GLU P 234 10.454 -3.104 8.328 1.00 0.00 C ATOM 814 O GLU P 234 10.455 -2.076 9.005 1.00 0.00 O ATOM 815 CB GLU P 234 12.952 -3.187 8.438 1.00 0.00 C ATOM 816 CG GLU P 234 13.098 -2.106 7.379 1.00 0.00 C ATOM 817 CD GLU P 234 13.878 -0.904 7.877 1.00 0.00 C ATOM 818 OE1 GLU P 234 15.001 -1.096 8.389 1.00 0.00 O ATOM 819 OE2 GLU P 234 13.366 0.227 7.754 1.00 0.00 O ATOM 0 H GLU P 234 12.118 -4.302 6.264 1.00 0.00 H new ATOM 0 HA GLU P 234 11.609 -4.717 9.127 1.00 0.00 H new ATOM 0 HB2 GLU P 234 12.963 -2.722 9.424 1.00 0.00 H new ATOM 0 HB3 GLU P 234 13.815 -3.851 8.389 1.00 0.00 H new ATOM 0 HG2 GLU P 234 13.599 -2.523 6.506 1.00 0.00 H new ATOM 0 HG3 GLU P 234 12.108 -1.784 7.055 1.00 0.00 H new ATOM 826 N ALA P 235 9.416 -3.486 7.593 1.00 0.00 N ATOM 827 CA ALA P 235 8.188 -2.702 7.538 1.00 0.00 C ATOM 828 C ALA P 235 6.967 -3.583 7.771 1.00 0.00 C ATOM 829 O ALA P 235 5.948 -3.442 7.094 1.00 0.00 O ATOM 830 CB ALA P 235 8.077 -1.989 6.199 1.00 0.00 C ATOM 0 H ALA P 235 9.400 -4.334 7.027 1.00 0.00 H new ATOM 0 HA ALA P 235 8.225 -1.957 8.332 1.00 0.00 H new ATOM 0 HB1 ALA P 235 7.155 -1.407 6.172 1.00 0.00 H new ATOM 0 HB2 ALA P 235 8.930 -1.323 6.069 1.00 0.00 H new ATOM 0 HB3 ALA P 235 8.066 -2.725 5.395 1.00 0.00 H new ATOM 836 N LEU P 236 7.076 -4.495 8.732 1.00 0.00 N ATOM 837 CA LEU P 236 5.979 -5.401 9.053 1.00 0.00 C ATOM 838 C LEU P 236 5.806 -5.530 10.563 1.00 0.00 C ATOM 839 O LEU P 236 4.689 -5.478 11.076 1.00 0.00 O ATOM 840 CB LEU P 236 6.229 -6.778 8.435 1.00 0.00 C ATOM 841 CG LEU P 236 5.890 -6.890 6.949 1.00 0.00 C ATOM 842 CD1 LEU P 236 7.159 -6.890 6.109 1.00 0.00 C ATOM 843 CD2 LEU P 236 5.073 -8.145 6.682 1.00 0.00 C ATOM 0 H LEU P 236 7.912 -4.626 9.301 1.00 0.00 H new ATOM 0 HA LEU P 236 5.062 -4.986 8.635 1.00 0.00 H new ATOM 0 HB2 LEU P 236 7.279 -7.037 8.573 1.00 0.00 H new ATOM 0 HB3 LEU P 236 5.644 -7.517 8.982 1.00 0.00 H new ATOM 0 HG LEU P 236 5.292 -6.023 6.667 1.00 0.00 H new ATOM 0 HD11 LEU P 236 6.897 -6.970 5.054 1.00 0.00 H new ATOM 0 HD12 LEU P 236 7.707 -5.963 6.277 1.00 0.00 H new ATOM 0 HD13 LEU P 236 7.784 -7.737 6.393 1.00 0.00 H new ATOM 0 HD21 LEU P 236 4.841 -8.209 5.619 1.00 0.00 H new ATOM 0 HD22 LEU P 236 5.646 -9.023 6.981 1.00 0.00 H new ATOM 0 HD23 LEU P 236 4.146 -8.104 7.254 1.00 0.00 H new ATOM 855 N HIS P 237 6.919 -5.700 11.268 1.00 0.00 N ATOM 856 CA HIS P 237 6.893 -5.836 12.720 1.00 0.00 C ATOM 857 C HIS P 237 6.506 -4.519 13.383 1.00 0.00 C ATOM 858 O HIS P 237 5.618 -4.488 14.232 1.00 99.99 O ATOM 859 CB HIS P 237 8.256 -6.301 13.234 1.00 0.00 C ATOM 860 CG HIS P 237 8.807 -7.475 12.486 1.00 0.00 C ATOM 861 ND1 HIS P 237 8.497 -8.783 12.799 1.00 0.00 N ATOM 862 CD2 HIS P 237 9.653 -7.535 11.430 1.00 0.00 C ATOM 863 CE1 HIS P 237 9.129 -9.594 11.969 1.00 0.00 C ATOM 864 NE2 HIS P 237 9.836 -8.862 11.129 1.00 0.00 N ATOM 0 H HIS P 237 7.851 -5.747 10.857 1.00 0.00 H new ATOM 0 HA HIS P 237 6.143 -6.584 12.977 1.00 0.00 H new ATOM 0 HB2 HIS P 237 8.962 -5.474 13.167 1.00 0.00 H new ATOM 0 HB3 HIS P 237 8.168 -6.561 14.289 1.00 0.00 H new ATOM 0 HD2 HIS P 237 10.101 -6.695 10.920 1.00 0.00 H new ATOM 0 HE1 HIS P 237 9.076 -10.673 11.977 1.00 0.00 H new ATOM 0 HE2 HIS P 237 10.423 -9.224 10.378 1.00 0.00 H new TER 873 HIS P 237