USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 496 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 479 ASN : amide:sc= -1.63 K(o=-2.2,f=-5.2!) USER MOD Set 1.2: W 481 ASN :FLIP amide:sc= -0.546 F(o=-4.2,f=-2.2) USER MOD Set 2.1: B 618 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: W 480 HIS : no HD1:sc= -0.707 K(o=-0.71,f=-1.9) USER MOD Set 3.1: W 456 ASN : amide:sc= -0.454 X(o=-1.7,f=-1.8) USER MOD Set 3.2: W 494 ASN :FLIP amide:sc= -1.2 F(o=-4.3,f=-1.7) USER MOD Single : B 606 SER OG : rot 33:sc=0.000569 USER MOD Single : B 607 THR OG1 : rot 180:sc= 0 USER MOD Single : B 613 THR OG1 : rot 180:sc= 0 USER MOD Single : B 617 ASN : amide:sc= -0.442 X(o=-0.44,f=-0.69) USER MOD Single : B 620 SER OG : rot 180:sc= 0 USER MOD Single : W 451 SER OG : rot 180:sc= 0 USER MOD Single : W 455 SER OG : rot 180:sc= 0.172 USER MOD Single : W 469 THR OG1 : rot 17:sc= 0.296 USER MOD Single : W 470 HIS : no HD1:sc= -3.51 K(o=-3.5,f=-4.1) USER MOD Single : W 471 THR OG1 : rot 180:sc= 0.066 USER MOD Single : W 483 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : W 484 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : W 485 THR OG1 : rot 147:sc= 0.999 USER MOD Single : W 486 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.11) USER MOD Single : W 492 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : W 493 GLN : amide:sc= -0.814 X(o=-0.81,f=-0.4) USER MOD Single : W 498 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY W 450 8.666 -32.689 -2.245 1.00 0.00 N ATOM 2 CA GLY W 450 9.734 -32.016 -3.034 1.00 0.00 C ATOM 3 C GLY W 450 9.217 -30.814 -3.800 1.00 0.00 C ATOM 4 O GLY W 450 9.251 -29.690 -3.300 1.00 0.00 O ATOM 0 HA2 GLY W 450 10.533 -31.700 -2.363 1.00 0.00 H new ATOM 0 HA3 GLY W 450 10.169 -32.729 -3.734 1.00 0.00 H new ATOM 10 N SER W 451 8.738 -31.052 -5.017 1.00 0.00 N ATOM 11 CA SER W 451 8.212 -29.979 -5.853 1.00 0.00 C ATOM 12 C SER W 451 6.713 -30.156 -6.090 1.00 0.00 C ATOM 13 O SER W 451 6.301 -30.781 -7.068 1.00 0.00 O ATOM 14 CB SER W 451 8.948 -29.939 -7.193 1.00 0.00 C ATOM 15 OG SER W 451 9.918 -28.906 -7.211 1.00 0.00 O ATOM 0 H SER W 451 8.703 -31.977 -5.446 1.00 0.00 H new ATOM 0 HA SER W 451 8.371 -29.036 -5.330 1.00 0.00 H new ATOM 0 HB2 SER W 451 9.431 -30.899 -7.375 1.00 0.00 H new ATOM 0 HB3 SER W 451 8.232 -29.784 -8.000 1.00 0.00 H new ATOM 0 HG SER W 451 10.376 -28.902 -8.077 1.00 0.00 H new ATOM 21 N PRO W 452 5.875 -29.605 -5.195 1.00 0.00 N ATOM 22 CA PRO W 452 4.418 -29.704 -5.313 1.00 0.00 C ATOM 23 C PRO W 452 3.874 -28.903 -6.492 1.00 0.00 C ATOM 24 O PRO W 452 2.907 -29.307 -7.136 1.00 0.00 O ATOM 25 CB PRO W 452 3.910 -29.122 -3.992 1.00 0.00 C ATOM 26 CG PRO W 452 4.999 -28.216 -3.533 1.00 0.00 C ATOM 27 CD PRO W 452 6.284 -28.841 -4.002 1.00 0.00 C ATOM 0 HA PRO W 452 4.096 -30.729 -5.493 1.00 0.00 H new ATOM 0 HB2 PRO W 452 2.976 -28.578 -4.132 1.00 0.00 H new ATOM 0 HB3 PRO W 452 3.715 -29.908 -3.262 1.00 0.00 H new ATOM 0 HG2 PRO W 452 4.876 -27.216 -3.950 1.00 0.00 H new ATOM 0 HG3 PRO W 452 4.989 -28.112 -2.448 1.00 0.00 H new ATOM 0 HD2 PRO W 452 7.033 -28.087 -4.245 1.00 0.00 H new ATOM 0 HD3 PRO W 452 6.718 -29.488 -3.240 1.00 0.00 H new ATOM 35 N VAL W 453 4.501 -27.764 -6.766 1.00 0.00 N ATOM 36 CA VAL W 453 4.079 -26.905 -7.866 1.00 0.00 C ATOM 37 C VAL W 453 2.783 -26.176 -7.526 1.00 0.00 C ATOM 38 O VAL W 453 1.970 -25.892 -8.404 1.00 0.00 O ATOM 39 CB VAL W 453 3.877 -27.710 -9.165 1.00 0.00 C ATOM 40 CG1 VAL W 453 3.816 -26.778 -10.365 1.00 0.00 C ATOM 41 CG2 VAL W 453 4.983 -28.741 -9.336 1.00 0.00 C ATOM 0 H VAL W 453 5.303 -27.414 -6.242 1.00 0.00 H new ATOM 0 HA VAL W 453 4.874 -26.176 -8.021 1.00 0.00 H new ATOM 0 HB VAL W 453 2.928 -28.241 -9.097 1.00 0.00 H new ATOM 0 HG11 VAL W 453 3.673 -27.363 -11.273 1.00 0.00 H new ATOM 0 HG12 VAL W 453 2.983 -26.085 -10.245 1.00 0.00 H new ATOM 0 HG13 VAL W 453 4.748 -26.217 -10.438 1.00 0.00 H new ATOM 0 HG21 VAL W 453 4.821 -29.298 -10.259 1.00 0.00 H new ATOM 0 HG22 VAL W 453 5.948 -28.236 -9.381 1.00 0.00 H new ATOM 0 HG23 VAL W 453 4.973 -29.429 -8.490 1.00 0.00 H new ATOM 51 N ASP W 454 2.599 -25.877 -6.244 1.00 0.00 N ATOM 52 CA ASP W 454 1.402 -25.182 -5.783 1.00 0.00 C ATOM 53 C ASP W 454 1.575 -24.701 -4.347 1.00 0.00 C ATOM 54 O ASP W 454 0.617 -24.664 -3.574 1.00 0.00 O ATOM 55 CB ASP W 454 0.182 -26.097 -5.885 1.00 0.00 C ATOM 56 CG ASP W 454 -0.864 -25.562 -6.842 1.00 0.00 C ATOM 57 OD1 ASP W 454 -1.312 -24.411 -6.651 1.00 0.00 O ATOM 58 OD2 ASP W 454 -1.236 -26.293 -7.785 1.00 0.00 O ATOM 0 H ASP W 454 3.264 -26.105 -5.505 1.00 0.00 H new ATOM 0 HA ASP W 454 1.247 -24.313 -6.423 1.00 0.00 H new ATOM 0 HB2 ASP W 454 0.500 -27.086 -6.215 1.00 0.00 H new ATOM 0 HB3 ASP W 454 -0.262 -26.218 -4.897 1.00 0.00 H new ATOM 63 N SER W 455 2.803 -24.333 -3.997 1.00 0.00 N ATOM 64 CA SER W 455 3.103 -23.853 -2.655 1.00 0.00 C ATOM 65 C SER W 455 2.579 -22.433 -2.457 1.00 0.00 C ATOM 66 O SER W 455 1.681 -21.990 -3.174 1.00 0.00 O ATOM 67 CB SER W 455 4.612 -23.897 -2.404 1.00 0.00 C ATOM 68 OG SER W 455 4.897 -23.969 -1.018 1.00 0.00 O ATOM 0 H SER W 455 3.606 -24.358 -4.625 1.00 0.00 H new ATOM 0 HA SER W 455 2.604 -24.506 -1.939 1.00 0.00 H new ATOM 0 HB2 SER W 455 5.043 -24.759 -2.912 1.00 0.00 H new ATOM 0 HB3 SER W 455 5.080 -23.009 -2.829 1.00 0.00 H new ATOM 0 HG SER W 455 5.867 -23.998 -0.885 1.00 0.00 H new ATOM 74 N ASN W 456 3.141 -21.720 -1.484 1.00 0.00 N ATOM 75 CA ASN W 456 2.724 -20.351 -1.205 1.00 0.00 C ATOM 76 C ASN W 456 2.723 -19.512 -2.478 1.00 0.00 C ATOM 77 O ASN W 456 3.751 -18.960 -2.869 1.00 0.00 O ATOM 78 CB ASN W 456 3.648 -19.718 -0.164 1.00 0.00 C ATOM 79 CG ASN W 456 3.913 -20.640 1.011 1.00 0.00 C ATOM 80 OD1 ASN W 456 5.044 -20.751 1.483 1.00 0.00 O ATOM 81 ND2 ASN W 456 2.868 -21.308 1.485 1.00 0.00 N ATOM 0 H ASN W 456 3.884 -22.067 -0.878 1.00 0.00 H new ATOM 0 HA ASN W 456 1.708 -20.380 -0.811 1.00 0.00 H new ATOM 0 HB2 ASN W 456 4.595 -19.453 -0.635 1.00 0.00 H new ATOM 0 HB3 ASN W 456 3.202 -18.792 0.198 1.00 0.00 H new ATOM 0 HD21 ASN W 456 2.985 -21.945 2.273 1.00 0.00 H new ATOM 0 HD22 ASN W 456 1.948 -21.184 1.061 1.00 0.00 H new ATOM 88 N ASP W 457 1.564 -19.420 -3.120 1.00 0.00 N ATOM 89 CA ASP W 457 1.433 -18.649 -4.351 1.00 0.00 C ATOM 90 C ASP W 457 0.382 -17.553 -4.197 1.00 0.00 C ATOM 91 O ASP W 457 -0.715 -17.798 -3.697 1.00 0.00 O ATOM 92 CB ASP W 457 1.060 -19.567 -5.516 1.00 0.00 C ATOM 93 CG ASP W 457 2.099 -19.548 -6.622 1.00 0.00 C ATOM 94 OD1 ASP W 457 3.305 -19.608 -6.305 1.00 0.00 O ATOM 95 OD2 ASP W 457 1.705 -19.473 -7.804 1.00 0.00 O ATOM 0 H ASP W 457 0.703 -19.869 -2.809 1.00 0.00 H new ATOM 0 HA ASP W 457 2.395 -18.180 -4.560 1.00 0.00 H new ATOM 0 HB2 ASP W 457 0.943 -20.587 -5.149 1.00 0.00 H new ATOM 0 HB3 ASP W 457 0.096 -19.261 -5.922 1.00 0.00 H new ATOM 100 N LEU W 458 0.726 -16.346 -4.632 1.00 0.00 N ATOM 101 CA LEU W 458 -0.189 -15.214 -4.545 1.00 0.00 C ATOM 102 C LEU W 458 -0.292 -14.496 -5.885 1.00 0.00 C ATOM 103 O LEU W 458 0.714 -14.262 -6.556 1.00 0.00 O ATOM 104 CB LEU W 458 0.274 -14.237 -3.463 1.00 0.00 C ATOM 105 CG LEU W 458 0.154 -14.757 -2.030 1.00 0.00 C ATOM 106 CD1 LEU W 458 1.510 -14.741 -1.342 1.00 0.00 C ATOM 107 CD2 LEU W 458 -0.853 -13.930 -1.245 1.00 0.00 C ATOM 0 H LEU W 458 1.631 -16.126 -5.048 1.00 0.00 H new ATOM 0 HA LEU W 458 -1.175 -15.595 -4.280 1.00 0.00 H new ATOM 0 HB2 LEU W 458 1.315 -13.975 -3.653 1.00 0.00 H new ATOM 0 HB3 LEU W 458 -0.307 -13.319 -3.550 1.00 0.00 H new ATOM 0 HG LEU W 458 -0.201 -15.787 -2.066 1.00 0.00 H new ATOM 0 HD11 LEU W 458 1.406 -15.114 -0.323 1.00 0.00 H new ATOM 0 HD12 LEU W 458 2.204 -15.376 -1.892 1.00 0.00 H new ATOM 0 HD13 LEU W 458 1.893 -13.721 -1.317 1.00 0.00 H new ATOM 0 HD21 LEU W 458 -0.925 -14.314 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU W 458 -0.527 -12.890 -1.218 1.00 0.00 H new ATOM 0 HD23 LEU W 458 -1.829 -13.992 -1.726 1.00 0.00 H new ATOM 119 N GLY W 459 -1.515 -14.150 -6.272 1.00 0.00 N ATOM 120 CA GLY W 459 -1.726 -13.463 -7.532 1.00 0.00 C ATOM 121 C GLY W 459 -1.824 -11.958 -7.364 1.00 0.00 C ATOM 122 O GLY W 459 -0.805 -11.284 -7.211 1.00 0.00 O ATOM 0 H GLY W 459 -2.363 -14.333 -5.736 1.00 0.00 H new ATOM 0 HA2 GLY W 459 -0.906 -13.697 -8.211 1.00 0.00 H new ATOM 0 HA3 GLY W 459 -2.640 -13.834 -7.996 1.00 0.00 H new ATOM 126 N PRO W 460 -3.045 -11.398 -7.390 1.00 0.00 N ATOM 127 CA PRO W 460 -3.254 -9.955 -7.238 1.00 0.00 C ATOM 128 C PRO W 460 -3.052 -9.486 -5.801 1.00 0.00 C ATOM 129 O PRO W 460 -3.971 -8.957 -5.177 1.00 0.00 O ATOM 130 CB PRO W 460 -4.710 -9.767 -7.662 1.00 0.00 C ATOM 131 CG PRO W 460 -5.363 -11.066 -7.346 1.00 0.00 C ATOM 132 CD PRO W 460 -4.316 -12.125 -7.569 1.00 0.00 C ATOM 0 HA PRO W 460 -2.543 -9.374 -7.826 1.00 0.00 H new ATOM 0 HB2 PRO W 460 -5.178 -8.946 -7.120 1.00 0.00 H new ATOM 0 HB3 PRO W 460 -4.787 -9.533 -8.724 1.00 0.00 H new ATOM 0 HG2 PRO W 460 -5.720 -11.082 -6.316 1.00 0.00 H new ATOM 0 HG3 PRO W 460 -6.229 -11.233 -7.987 1.00 0.00 H new ATOM 0 HD2 PRO W 460 -4.414 -12.943 -6.855 1.00 0.00 H new ATOM 0 HD3 PRO W 460 -4.392 -12.561 -8.565 1.00 0.00 H new ATOM 140 N LEU W 461 -1.844 -9.682 -5.282 1.00 0.00 N ATOM 141 CA LEU W 461 -1.527 -9.274 -3.918 1.00 0.00 C ATOM 142 C LEU W 461 -2.480 -9.927 -2.920 1.00 0.00 C ATOM 143 O LEU W 461 -3.515 -10.473 -3.302 1.00 0.00 O ATOM 144 CB LEU W 461 -1.609 -7.752 -3.789 1.00 0.00 C ATOM 145 CG LEU W 461 -1.082 -6.968 -4.993 1.00 0.00 C ATOM 146 CD1 LEU W 461 -2.118 -5.961 -5.467 1.00 0.00 C ATOM 147 CD2 LEU W 461 0.226 -6.268 -4.651 1.00 0.00 C ATOM 0 H LEU W 461 -1.071 -10.119 -5.783 1.00 0.00 H new ATOM 0 HA LEU W 461 -0.511 -9.600 -3.694 1.00 0.00 H new ATOM 0 HB2 LEU W 461 -2.649 -7.473 -3.621 1.00 0.00 H new ATOM 0 HB3 LEU W 461 -1.050 -7.447 -2.904 1.00 0.00 H new ATOM 0 HG LEU W 461 -0.889 -7.673 -5.802 1.00 0.00 H new ATOM 0 HD11 LEU W 461 -1.727 -5.412 -6.324 1.00 0.00 H new ATOM 0 HD12 LEU W 461 -3.029 -6.485 -5.757 1.00 0.00 H new ATOM 0 HD13 LEU W 461 -2.342 -5.263 -4.661 1.00 0.00 H new ATOM 0 HD21 LEU W 461 0.582 -5.717 -5.521 1.00 0.00 H new ATOM 0 HD22 LEU W 461 0.063 -5.576 -3.825 1.00 0.00 H new ATOM 0 HD23 LEU W 461 0.971 -7.009 -4.361 1.00 0.00 H new ATOM 159 N PRO W 462 -2.142 -9.874 -1.619 1.00 0.00 N ATOM 160 CA PRO W 462 -2.975 -10.459 -0.564 1.00 0.00 C ATOM 161 C PRO W 462 -4.351 -9.800 -0.493 1.00 0.00 C ATOM 162 O PRO W 462 -4.651 -8.892 -1.266 1.00 0.00 O ATOM 163 CB PRO W 462 -2.183 -10.188 0.722 1.00 0.00 C ATOM 164 CG PRO W 462 -0.796 -9.874 0.276 1.00 0.00 C ATOM 165 CD PRO W 462 -0.930 -9.240 -1.078 1.00 0.00 C ATOM 0 HA PRO W 462 -3.168 -11.518 -0.737 1.00 0.00 H new ATOM 0 HB2 PRO W 462 -2.613 -9.357 1.280 1.00 0.00 H new ATOM 0 HB3 PRO W 462 -2.196 -11.056 1.381 1.00 0.00 H new ATOM 0 HG2 PRO W 462 -0.305 -9.198 0.976 1.00 0.00 H new ATOM 0 HG3 PRO W 462 -0.189 -10.778 0.225 1.00 0.00 H new ATOM 0 HD2 PRO W 462 -1.037 -8.157 -1.008 1.00 0.00 H new ATOM 0 HD3 PRO W 462 -0.059 -9.435 -1.703 1.00 0.00 H new ATOM 173 N PRO W 463 -5.210 -10.252 0.438 1.00 0.00 N ATOM 174 CA PRO W 463 -6.558 -9.698 0.599 1.00 0.00 C ATOM 175 C PRO W 463 -6.545 -8.314 1.240 1.00 0.00 C ATOM 176 O PRO W 463 -6.060 -8.142 2.360 1.00 0.00 O ATOM 177 CB PRO W 463 -7.246 -10.708 1.517 1.00 0.00 C ATOM 178 CG PRO W 463 -6.139 -11.316 2.308 1.00 0.00 C ATOM 179 CD PRO W 463 -4.937 -11.336 1.402 1.00 0.00 C ATOM 0 HA PRO W 463 -7.060 -9.560 -0.359 1.00 0.00 H new ATOM 0 HB2 PRO W 463 -7.975 -10.222 2.165 1.00 0.00 H new ATOM 0 HB3 PRO W 463 -7.783 -11.463 0.943 1.00 0.00 H new ATOM 0 HG2 PRO W 463 -5.939 -10.734 3.208 1.00 0.00 H new ATOM 0 HG3 PRO W 463 -6.400 -12.324 2.631 1.00 0.00 H new ATOM 0 HD2 PRO W 463 -4.015 -11.157 1.955 1.00 0.00 H new ATOM 0 HD3 PRO W 463 -4.828 -12.299 0.902 1.00 0.00 H new ATOM 187 N GLY W 464 -7.082 -7.329 0.526 1.00 0.00 N ATOM 188 CA GLY W 464 -7.120 -5.973 1.044 1.00 0.00 C ATOM 189 C GLY W 464 -5.928 -5.136 0.608 1.00 0.00 C ATOM 190 O GLY W 464 -5.852 -3.949 0.927 1.00 0.00 O ATOM 0 H GLY W 464 -7.491 -7.445 -0.401 1.00 0.00 H new ATOM 0 HA2 GLY W 464 -8.038 -5.489 0.711 1.00 0.00 H new ATOM 0 HA3 GLY W 464 -7.154 -6.007 2.133 1.00 0.00 H new ATOM 194 N TRP W 465 -4.994 -5.750 -0.114 1.00 0.00 N ATOM 195 CA TRP W 465 -3.804 -5.047 -0.579 1.00 0.00 C ATOM 196 C TRP W 465 -4.000 -4.491 -1.988 1.00 0.00 C ATOM 197 O TRP W 465 -4.969 -4.827 -2.670 1.00 0.00 O ATOM 198 CB TRP W 465 -2.598 -5.983 -0.531 1.00 0.00 C ATOM 199 CG TRP W 465 -2.055 -6.161 0.847 1.00 0.00 C ATOM 200 CD1 TRP W 465 -2.528 -6.994 1.818 1.00 0.00 C ATOM 201 CD2 TRP W 465 -0.936 -5.477 1.408 1.00 0.00 C ATOM 202 NE1 TRP W 465 -1.758 -6.877 2.950 1.00 0.00 N ATOM 203 CE2 TRP W 465 -0.776 -5.950 2.721 1.00 0.00 C ATOM 204 CE3 TRP W 465 -0.051 -4.513 0.925 1.00 0.00 C ATOM 205 CZ2 TRP W 465 0.235 -5.491 3.555 1.00 0.00 C ATOM 206 CZ3 TRP W 465 0.952 -4.056 1.755 1.00 0.00 C ATOM 207 CH2 TRP W 465 1.089 -4.547 3.059 1.00 0.00 C ATOM 0 H TRP W 465 -5.039 -6.731 -0.389 1.00 0.00 H new ATOM 0 HA TRP W 465 -3.625 -4.200 0.084 1.00 0.00 H new ATOM 0 HB2 TRP W 465 -2.883 -6.956 -0.932 1.00 0.00 H new ATOM 0 HB3 TRP W 465 -1.813 -5.590 -1.177 1.00 0.00 H new ATOM 0 HD1 TRP W 465 -3.381 -7.648 1.713 1.00 0.00 H new ATOM 0 HE1 TRP W 465 -1.895 -7.395 3.818 1.00 0.00 H new ATOM 0 HE3 TRP W 465 -0.149 -4.131 -0.080 1.00 0.00 H new ATOM 0 HZ2 TRP W 465 0.343 -5.867 4.562 1.00 0.00 H new ATOM 0 HZ3 TRP W 465 1.642 -3.308 1.393 1.00 0.00 H new ATOM 0 HH2 TRP W 465 1.885 -4.172 3.685 1.00 0.00 H new ATOM 218 N GLU W 466 -3.079 -3.628 -2.411 1.00 0.00 N ATOM 219 CA GLU W 466 -3.154 -3.008 -3.729 1.00 0.00 C ATOM 220 C GLU W 466 -1.764 -2.654 -4.254 1.00 0.00 C ATOM 221 O GLU W 466 -0.898 -2.217 -3.496 1.00 0.00 O ATOM 222 CB GLU W 466 -4.016 -1.745 -3.662 1.00 0.00 C ATOM 223 CG GLU W 466 -5.138 -1.717 -4.686 1.00 0.00 C ATOM 224 CD GLU W 466 -5.140 -0.449 -5.518 1.00 0.00 C ATOM 225 OE1 GLU W 466 -5.337 0.640 -4.938 1.00 0.00 O ATOM 226 OE2 GLU W 466 -4.943 -0.546 -6.746 1.00 0.00 O ATOM 0 H GLU W 466 -2.271 -3.343 -1.858 1.00 0.00 H new ATOM 0 HA GLU W 466 -3.606 -3.725 -4.414 1.00 0.00 H new ATOM 0 HB2 GLU W 466 -4.445 -1.661 -2.664 1.00 0.00 H new ATOM 0 HB3 GLU W 466 -3.379 -0.873 -3.810 1.00 0.00 H new ATOM 0 HG2 GLU W 466 -5.044 -2.579 -5.346 1.00 0.00 H new ATOM 0 HG3 GLU W 466 -6.095 -1.811 -4.173 1.00 0.00 H new ATOM 233 N GLU W 467 -1.559 -2.835 -5.554 1.00 0.00 N ATOM 234 CA GLU W 467 -0.275 -2.518 -6.174 1.00 0.00 C ATOM 235 C GLU W 467 -0.317 -1.130 -6.811 1.00 0.00 C ATOM 236 O GLU W 467 -0.923 -0.940 -7.866 1.00 0.00 O ATOM 237 CB GLU W 467 0.090 -3.569 -7.225 1.00 0.00 C ATOM 238 CG GLU W 467 -0.802 -3.544 -8.454 1.00 0.00 C ATOM 239 CD GLU W 467 -1.158 -4.933 -8.945 1.00 0.00 C ATOM 240 OE1 GLU W 467 -0.249 -5.645 -9.422 1.00 0.00 O ATOM 241 OE2 GLU W 467 -2.344 -5.311 -8.849 1.00 0.00 O ATOM 0 H GLU W 467 -2.262 -3.198 -6.198 1.00 0.00 H new ATOM 0 HA GLU W 467 0.489 -2.523 -5.397 1.00 0.00 H new ATOM 0 HB2 GLU W 467 1.124 -3.415 -7.535 1.00 0.00 H new ATOM 0 HB3 GLU W 467 0.037 -4.558 -6.770 1.00 0.00 H new ATOM 0 HG2 GLU W 467 -1.717 -2.999 -8.223 1.00 0.00 H new ATOM 0 HG3 GLU W 467 -0.299 -2.998 -9.252 1.00 0.00 H new ATOM 248 N ARG W 468 0.321 -0.161 -6.162 1.00 0.00 N ATOM 249 CA ARG W 468 0.345 1.208 -6.671 1.00 0.00 C ATOM 250 C ARG W 468 1.753 1.617 -7.088 1.00 0.00 C ATOM 251 O ARG W 468 2.733 1.275 -6.426 1.00 0.00 O ATOM 252 CB ARG W 468 -0.190 2.176 -5.614 1.00 0.00 C ATOM 253 CG ARG W 468 -1.603 1.858 -5.157 1.00 0.00 C ATOM 254 CD ARG W 468 -2.578 2.949 -5.566 1.00 0.00 C ATOM 255 NE ARG W 468 -2.575 3.173 -7.009 1.00 0.00 N ATOM 256 CZ ARG W 468 -3.533 3.827 -7.656 1.00 0.00 C ATOM 257 NH1 ARG W 468 -4.561 4.333 -6.986 1.00 0.00 N ATOM 258 NH2 ARG W 468 -3.464 3.979 -8.971 1.00 0.00 N ATOM 0 H ARG W 468 0.826 -0.296 -5.286 1.00 0.00 H new ATOM 0 HA ARG W 468 -0.296 1.250 -7.552 1.00 0.00 H new ATOM 0 HB2 ARG W 468 0.474 2.161 -4.750 1.00 0.00 H new ATOM 0 HB3 ARG W 468 -0.167 3.189 -6.016 1.00 0.00 H new ATOM 0 HG2 ARG W 468 -1.920 0.907 -5.584 1.00 0.00 H new ATOM 0 HG3 ARG W 468 -1.619 1.742 -4.073 1.00 0.00 H new ATOM 0 HD2 ARG W 468 -3.583 2.677 -5.244 1.00 0.00 H new ATOM 0 HD3 ARG W 468 -2.320 3.876 -5.055 1.00 0.00 H new ATOM 0 HE ARG W 468 -1.793 2.806 -7.551 1.00 0.00 H new ATOM 0 HH11 ARG W 468 -4.616 4.220 -5.974 1.00 0.00 H new ATOM 0 HH12 ARG W 468 -5.296 4.835 -7.483 1.00 0.00 H new ATOM 0 HH21 ARG W 468 -2.674 3.593 -9.488 1.00 0.00 H new ATOM 0 HH22 ARG W 468 -4.201 4.482 -9.466 1.00 0.00 H new ATOM 272 N THR W 469 1.845 2.354 -8.192 1.00 0.00 N ATOM 273 CA THR W 469 3.131 2.813 -8.703 1.00 0.00 C ATOM 274 C THR W 469 3.633 4.023 -7.925 1.00 0.00 C ATOM 275 O THR W 469 2.912 5.006 -7.753 1.00 0.00 O ATOM 276 CB THR W 469 3.040 3.182 -10.196 1.00 0.00 C ATOM 277 OG1 THR W 469 2.198 4.328 -10.368 1.00 0.00 O ATOM 278 CG2 THR W 469 2.492 2.018 -11.008 1.00 0.00 C ATOM 0 H THR W 469 1.042 2.646 -8.750 1.00 0.00 H new ATOM 0 HA THR W 469 3.833 1.988 -8.579 1.00 0.00 H new ATOM 0 HB THR W 469 4.044 3.413 -10.552 1.00 0.00 H new ATOM 0 HG1 THR W 469 2.089 4.786 -9.508 1.00 0.00 H new ATOM 0 HG21 THR W 469 2.437 2.302 -12.059 1.00 0.00 H new ATOM 0 HG22 THR W 469 3.151 1.156 -10.899 1.00 0.00 H new ATOM 0 HG23 THR W 469 1.496 1.761 -10.649 1.00 0.00 H new ATOM 286 N HIS W 470 4.875 3.947 -7.457 1.00 0.00 N ATOM 287 CA HIS W 470 5.475 5.037 -6.698 1.00 0.00 C ATOM 288 C HIS W 470 5.918 6.165 -7.625 1.00 0.00 C ATOM 289 O HIS W 470 6.046 5.972 -8.834 1.00 0.00 O ATOM 290 CB HIS W 470 6.670 4.527 -5.891 1.00 0.00 C ATOM 291 CG HIS W 470 7.096 5.457 -4.798 1.00 0.00 C ATOM 292 ND1 HIS W 470 6.347 5.610 -3.656 1.00 0.00 N ATOM 293 CD2 HIS W 470 8.189 6.254 -4.720 1.00 0.00 C ATOM 294 CE1 HIS W 470 6.995 6.489 -2.913 1.00 0.00 C ATOM 295 NE2 HIS W 470 8.118 6.908 -3.518 1.00 0.00 N ATOM 0 H HIS W 470 5.485 3.141 -7.591 1.00 0.00 H new ATOM 0 HA HIS W 470 4.722 5.427 -6.013 1.00 0.00 H new ATOM 0 HB2 HIS W 470 6.418 3.560 -5.456 1.00 0.00 H new ATOM 0 HB3 HIS W 470 7.510 4.364 -6.566 1.00 0.00 H new ATOM 0 HD2 HIS W 470 8.967 6.354 -5.463 1.00 0.00 H new ATOM 0 HE1 HIS W 470 6.664 6.828 -1.942 1.00 0.00 H new ATOM 0 HE2 HIS W 470 8.789 7.584 -3.153 1.00 0.00 H new ATOM 303 N THR W 471 6.154 7.341 -7.052 1.00 0.00 N ATOM 304 CA THR W 471 6.585 8.496 -7.831 1.00 0.00 C ATOM 305 C THR W 471 7.865 8.190 -8.605 1.00 0.00 C ATOM 306 O THR W 471 8.158 8.830 -9.615 1.00 0.00 O ATOM 307 CB THR W 471 6.820 9.724 -6.932 1.00 0.00 C ATOM 308 OG1 THR W 471 5.978 9.656 -5.776 1.00 0.00 O ATOM 309 CG2 THR W 471 6.539 11.013 -7.692 1.00 0.00 C ATOM 0 H THR W 471 6.054 7.519 -6.053 1.00 0.00 H new ATOM 0 HA THR W 471 5.784 8.721 -8.535 1.00 0.00 H new ATOM 0 HB THR W 471 7.865 9.722 -6.621 1.00 0.00 H new ATOM 0 HG1 THR W 471 6.136 10.440 -5.210 1.00 0.00 H new ATOM 0 HG21 THR W 471 6.712 11.867 -7.037 1.00 0.00 H new ATOM 0 HG22 THR W 471 7.201 11.078 -8.555 1.00 0.00 H new ATOM 0 HG23 THR W 471 5.502 11.018 -8.029 1.00 0.00 H new ATOM 317 N ASP W 472 8.623 7.207 -8.126 1.00 0.00 N ATOM 318 CA ASP W 472 9.871 6.815 -8.773 1.00 0.00 C ATOM 319 C ASP W 472 9.636 5.743 -9.839 1.00 0.00 C ATOM 320 O ASP W 472 10.525 5.450 -10.637 1.00 0.00 O ATOM 321 CB ASP W 472 10.866 6.300 -7.731 1.00 0.00 C ATOM 322 CG ASP W 472 11.794 7.387 -7.227 1.00 0.00 C ATOM 323 OD1 ASP W 472 12.079 8.329 -7.996 1.00 0.00 O ATOM 324 OD2 ASP W 472 12.238 7.296 -6.063 1.00 0.00 O ATOM 0 H ASP W 472 8.394 6.667 -7.291 1.00 0.00 H new ATOM 0 HA ASP W 472 10.282 7.697 -9.264 1.00 0.00 H new ATOM 0 HB2 ASP W 472 10.319 5.875 -6.890 1.00 0.00 H new ATOM 0 HB3 ASP W 472 11.458 5.494 -8.166 1.00 0.00 H new ATOM 329 N GLY W 473 8.439 5.159 -9.849 1.00 0.00 N ATOM 330 CA GLY W 473 8.125 4.129 -10.824 1.00 0.00 C ATOM 331 C GLY W 473 8.011 2.750 -10.201 1.00 0.00 C ATOM 332 O GLY W 473 7.425 1.844 -10.792 1.00 0.00 O ATOM 0 H GLY W 473 7.683 5.381 -9.201 1.00 0.00 H new ATOM 0 HA2 GLY W 473 7.187 4.378 -11.320 1.00 0.00 H new ATOM 0 HA3 GLY W 473 8.898 4.114 -11.592 1.00 0.00 H new ATOM 336 N ARG W 474 8.566 2.590 -9.002 1.00 0.00 N ATOM 337 CA ARG W 474 8.513 1.313 -8.302 1.00 0.00 C ATOM 338 C ARG W 474 7.145 1.110 -7.659 1.00 0.00 C ATOM 339 O ARG W 474 6.705 1.925 -6.848 1.00 0.00 O ATOM 340 CB ARG W 474 9.609 1.241 -7.237 1.00 0.00 C ATOM 341 CG ARG W 474 11.015 1.293 -7.810 1.00 0.00 C ATOM 342 CD ARG W 474 11.896 2.260 -7.036 1.00 0.00 C ATOM 343 NE ARG W 474 13.064 1.595 -6.468 1.00 0.00 N ATOM 344 CZ ARG W 474 13.764 2.083 -5.450 1.00 0.00 C ATOM 345 NH1 ARG W 474 13.423 3.241 -4.901 1.00 0.00 N ATOM 346 NH2 ARG W 474 14.808 1.413 -4.981 1.00 0.00 N ATOM 0 H ARG W 474 9.056 3.328 -8.497 1.00 0.00 H new ATOM 0 HA ARG W 474 8.678 0.518 -9.030 1.00 0.00 H new ATOM 0 HB2 ARG W 474 9.480 2.067 -6.537 1.00 0.00 H new ATOM 0 HB3 ARG W 474 9.491 0.319 -6.667 1.00 0.00 H new ATOM 0 HG2 ARG W 474 11.457 0.297 -7.785 1.00 0.00 H new ATOM 0 HG3 ARG W 474 10.972 1.596 -8.856 1.00 0.00 H new ATOM 0 HD2 ARG W 474 12.221 3.064 -7.697 1.00 0.00 H new ATOM 0 HD3 ARG W 474 11.315 2.720 -6.236 1.00 0.00 H new ATOM 0 HE ARG W 474 13.359 0.707 -6.875 1.00 0.00 H new ATOM 0 HH11 ARG W 474 12.621 3.759 -5.260 1.00 0.00 H new ATOM 0 HH12 ARG W 474 13.962 3.613 -4.119 1.00 0.00 H new ATOM 0 HH21 ARG W 474 15.074 0.523 -5.402 1.00 0.00 H new ATOM 0 HH22 ARG W 474 15.345 1.788 -4.199 1.00 0.00 H new ATOM 360 N VAL W 475 6.475 0.024 -8.027 1.00 0.00 N ATOM 361 CA VAL W 475 5.154 -0.272 -7.486 1.00 0.00 C ATOM 362 C VAL W 475 5.246 -0.884 -6.090 1.00 0.00 C ATOM 363 O VAL W 475 5.707 -2.014 -5.924 1.00 0.00 O ATOM 364 CB VAL W 475 4.374 -1.230 -8.407 1.00 0.00 C ATOM 365 CG1 VAL W 475 5.059 -2.602 -8.449 1.00 0.00 C ATOM 366 CG2 VAL W 475 2.907 -1.309 -7.965 1.00 0.00 C ATOM 0 H VAL W 475 6.823 -0.664 -8.695 1.00 0.00 H new ATOM 0 HA VAL W 475 4.621 0.677 -7.423 1.00 0.00 H new ATOM 0 HB VAL W 475 4.378 -0.845 -9.427 1.00 0.00 H new ATOM 0 HG11 VAL W 475 4.498 -3.269 -9.103 1.00 0.00 H new ATOM 0 HG12 VAL W 475 6.074 -2.490 -8.830 1.00 0.00 H new ATOM 0 HG13 VAL W 475 5.092 -3.023 -7.444 1.00 0.00 H new ATOM 0 HG21 VAL W 475 2.365 -1.989 -8.623 1.00 0.00 H new ATOM 0 HG22 VAL W 475 2.855 -1.677 -6.940 1.00 0.00 H new ATOM 0 HG23 VAL W 475 2.457 -0.318 -8.018 1.00 0.00 H new ATOM 376 N PHE W 476 4.800 -0.130 -5.090 1.00 0.00 N ATOM 377 CA PHE W 476 4.822 -0.597 -3.708 1.00 0.00 C ATOM 378 C PHE W 476 3.523 -1.317 -3.355 1.00 0.00 C ATOM 379 O PHE W 476 2.640 -1.474 -4.199 1.00 0.00 O ATOM 380 CB PHE W 476 5.051 0.575 -2.752 1.00 0.00 C ATOM 381 CG PHE W 476 4.004 1.646 -2.856 1.00 0.00 C ATOM 382 CD1 PHE W 476 4.139 2.678 -3.770 1.00 0.00 C ATOM 383 CD2 PHE W 476 2.885 1.621 -2.039 1.00 0.00 C ATOM 384 CE1 PHE W 476 3.177 3.665 -3.870 1.00 0.00 C ATOM 385 CE2 PHE W 476 1.920 2.605 -2.134 1.00 0.00 C ATOM 386 CZ PHE W 476 2.067 3.629 -3.050 1.00 0.00 C ATOM 0 H PHE W 476 4.419 0.808 -5.211 1.00 0.00 H new ATOM 0 HA PHE W 476 5.645 -1.304 -3.603 1.00 0.00 H new ATOM 0 HB2 PHE W 476 5.075 0.200 -1.729 1.00 0.00 H new ATOM 0 HB3 PHE W 476 6.029 1.013 -2.954 1.00 0.00 H new ATOM 0 HD1 PHE W 476 5.007 2.712 -4.412 1.00 0.00 H new ATOM 0 HD2 PHE W 476 2.766 0.824 -1.320 1.00 0.00 H new ATOM 0 HE1 PHE W 476 3.293 4.463 -4.588 1.00 0.00 H new ATOM 0 HE2 PHE W 476 1.051 2.574 -1.493 1.00 0.00 H new ATOM 0 HZ PHE W 476 1.315 4.400 -3.124 1.00 0.00 H new ATOM 396 N PHE W 477 3.412 -1.748 -2.102 1.00 0.00 N ATOM 397 CA PHE W 477 2.221 -2.449 -1.635 1.00 0.00 C ATOM 398 C PHE W 477 1.459 -1.609 -0.610 1.00 0.00 C ATOM 399 O PHE W 477 2.057 -0.832 0.134 1.00 0.00 O ATOM 400 CB PHE W 477 2.611 -3.798 -1.031 1.00 0.00 C ATOM 401 CG PHE W 477 3.377 -4.676 -1.978 1.00 0.00 C ATOM 402 CD1 PHE W 477 4.684 -4.369 -2.324 1.00 0.00 C ATOM 403 CD2 PHE W 477 2.791 -5.807 -2.525 1.00 0.00 C ATOM 404 CE1 PHE W 477 5.391 -5.173 -3.198 1.00 0.00 C ATOM 405 CE2 PHE W 477 3.494 -6.614 -3.399 1.00 0.00 C ATOM 406 CZ PHE W 477 4.796 -6.297 -3.736 1.00 0.00 C ATOM 0 H PHE W 477 4.133 -1.624 -1.391 1.00 0.00 H new ATOM 0 HA PHE W 477 1.565 -2.618 -2.489 1.00 0.00 H new ATOM 0 HB2 PHE W 477 3.212 -3.628 -0.138 1.00 0.00 H new ATOM 0 HB3 PHE W 477 1.708 -4.320 -0.713 1.00 0.00 H new ATOM 0 HD1 PHE W 477 5.155 -3.492 -1.906 1.00 0.00 H new ATOM 0 HD2 PHE W 477 1.774 -6.060 -2.265 1.00 0.00 H new ATOM 0 HE1 PHE W 477 6.408 -4.922 -3.460 1.00 0.00 H new ATOM 0 HE2 PHE W 477 3.026 -7.492 -3.819 1.00 0.00 H new ATOM 0 HZ PHE W 477 5.347 -6.927 -4.419 1.00 0.00 H new ATOM 416 N ILE W 478 0.137 -1.766 -0.580 1.00 0.00 N ATOM 417 CA ILE W 478 -0.700 -1.014 0.354 1.00 0.00 C ATOM 418 C ILE W 478 -1.914 -1.826 0.787 1.00 0.00 C ATOM 419 O ILE W 478 -2.667 -2.312 -0.048 1.00 0.00 O ATOM 420 CB ILE W 478 -1.190 0.310 -0.279 1.00 0.00 C ATOM 421 CG1 ILE W 478 -2.087 1.091 0.699 1.00 0.00 C ATOM 422 CG2 ILE W 478 -1.920 0.028 -1.584 1.00 0.00 C ATOM 423 CD1 ILE W 478 -2.951 2.165 0.050 1.00 0.00 C ATOM 0 H ILE W 478 -0.376 -2.404 -1.188 1.00 0.00 H new ATOM 0 HA ILE W 478 -0.082 -0.795 1.225 1.00 0.00 H new ATOM 0 HB ILE W 478 -0.322 0.932 -0.496 1.00 0.00 H new ATOM 0 HG12 ILE W 478 -2.736 0.386 1.218 1.00 0.00 H new ATOM 0 HG13 ILE W 478 -1.456 1.559 1.455 1.00 0.00 H new ATOM 0 HG21 ILE W 478 -2.260 0.967 -2.021 1.00 0.00 H new ATOM 0 HG22 ILE W 478 -1.244 -0.471 -2.278 1.00 0.00 H new ATOM 0 HG23 ILE W 478 -2.779 -0.614 -1.389 1.00 0.00 H new ATOM 0 HD11 ILE W 478 -3.548 2.662 0.814 1.00 0.00 H new ATOM 0 HD12 ILE W 478 -2.312 2.897 -0.444 1.00 0.00 H new ATOM 0 HD13 ILE W 478 -3.612 1.705 -0.685 1.00 0.00 H new ATOM 435 N ASN W 479 -2.110 -1.957 2.095 1.00 0.00 N ATOM 436 CA ASN W 479 -3.247 -2.704 2.619 1.00 0.00 C ATOM 437 C ASN W 479 -4.404 -1.765 2.963 1.00 0.00 C ATOM 438 O ASN W 479 -4.198 -0.578 3.213 1.00 0.00 O ATOM 439 CB ASN W 479 -2.828 -3.526 3.846 1.00 0.00 C ATOM 440 CG ASN W 479 -2.707 -2.695 5.110 1.00 0.00 C ATOM 441 OD1 ASN W 479 -2.640 -1.467 5.058 1.00 0.00 O ATOM 442 ND2 ASN W 479 -2.677 -3.367 6.256 1.00 0.00 N ATOM 0 H ASN W 479 -1.500 -1.558 2.808 1.00 0.00 H new ATOM 0 HA ASN W 479 -3.591 -3.391 1.846 1.00 0.00 H new ATOM 0 HB2 ASN W 479 -3.557 -4.320 4.009 1.00 0.00 H new ATOM 0 HB3 ASN W 479 -1.872 -4.008 3.643 1.00 0.00 H new ATOM 0 HD21 ASN W 479 -2.596 -2.864 7.140 1.00 0.00 H new ATOM 0 HD22 ASN W 479 -2.735 -4.385 6.252 1.00 0.00 H new ATOM 449 N HIS W 480 -5.619 -2.305 2.967 1.00 0.00 N ATOM 450 CA HIS W 480 -6.808 -1.514 3.271 1.00 0.00 C ATOM 451 C HIS W 480 -7.402 -1.879 4.633 1.00 0.00 C ATOM 452 O HIS W 480 -8.323 -1.215 5.109 1.00 0.00 O ATOM 453 CB HIS W 480 -7.861 -1.705 2.178 1.00 0.00 C ATOM 454 CG HIS W 480 -7.567 -0.940 0.924 1.00 0.00 C ATOM 455 ND1 HIS W 480 -8.500 -0.820 -0.078 1.00 0.00 N ATOM 456 CD2 HIS W 480 -6.439 -0.283 0.559 1.00 0.00 C ATOM 457 CE1 HIS W 480 -7.925 -0.098 -1.022 1.00 0.00 C ATOM 458 NE2 HIS W 480 -6.675 0.251 -0.682 1.00 0.00 N ATOM 0 H HIS W 480 -5.807 -3.287 2.763 1.00 0.00 H new ATOM 0 HA HIS W 480 -6.505 -0.468 3.309 1.00 0.00 H new ATOM 0 HB2 HIS W 480 -7.936 -2.766 1.938 1.00 0.00 H new ATOM 0 HB3 HIS W 480 -8.833 -1.396 2.563 1.00 0.00 H new ATOM 0 HD2 HIS W 480 -5.529 -0.197 1.135 1.00 0.00 H new ATOM 0 HE1 HIS W 480 -8.401 0.177 -1.951 1.00 0.00 H new ATOM 0 HE2 HIS W 480 -6.026 0.806 -1.239 1.00 0.00 H new ATOM 466 N ASN W 481 -6.879 -2.931 5.259 1.00 0.00 N ATOM 467 CA ASN W 481 -7.377 -3.362 6.564 1.00 0.00 C ATOM 468 C ASN W 481 -7.218 -2.250 7.594 1.00 0.00 C ATOM 469 O ASN W 481 -8.124 -1.984 8.383 1.00 0.00 O ATOM 470 CB ASN W 481 -6.637 -4.615 7.038 1.00 0.00 C ATOM 471 CG ASN W 481 -6.355 -5.589 5.912 1.00 0.00 C ATOM 472 OD1 ASN W 481 -5.189 -5.452 5.294 1.00 0.00 O flip ATOM 473 ND2 ASN W 481 -7.175 -6.454 5.602 1.00 0.00 N flip ATOM 0 H ASN W 481 -6.116 -3.497 4.888 1.00 0.00 H new ATOM 0 HA ASN W 481 -8.436 -3.597 6.458 1.00 0.00 H new ATOM 0 HB2 ASN W 481 -5.696 -4.322 7.503 1.00 0.00 H new ATOM 0 HB3 ASN W 481 -7.230 -5.114 7.805 1.00 0.00 H new ATOM 0 HD21 ASN W 481 -8.059 -6.522 6.105 1.00 0.00 H new ATOM 0 HD22 ASN W 481 -6.970 -7.102 4.842 1.00 0.00 H new ATOM 480 N ILE W 482 -6.057 -1.603 7.580 1.00 0.00 N ATOM 481 CA ILE W 482 -5.771 -0.519 8.510 1.00 0.00 C ATOM 482 C ILE W 482 -5.163 0.674 7.782 1.00 0.00 C ATOM 483 O ILE W 482 -4.423 1.463 8.368 1.00 0.00 O ATOM 484 CB ILE W 482 -4.808 -0.971 9.626 1.00 0.00 C ATOM 485 CG1 ILE W 482 -3.716 -1.874 9.049 1.00 0.00 C ATOM 486 CG2 ILE W 482 -5.571 -1.691 10.727 1.00 0.00 C ATOM 487 CD1 ILE W 482 -2.750 -2.395 10.091 1.00 0.00 C ATOM 0 H ILE W 482 -5.297 -1.812 6.932 1.00 0.00 H new ATOM 0 HA ILE W 482 -6.720 -0.227 8.960 1.00 0.00 H new ATOM 0 HB ILE W 482 -4.336 -0.089 10.058 1.00 0.00 H new ATOM 0 HG12 ILE W 482 -4.184 -2.719 8.544 1.00 0.00 H new ATOM 0 HG13 ILE W 482 -3.159 -1.320 8.294 1.00 0.00 H new ATOM 0 HG21 ILE W 482 -4.876 -2.003 11.507 1.00 0.00 H new ATOM 0 HG22 ILE W 482 -6.316 -1.019 11.153 1.00 0.00 H new ATOM 0 HG23 ILE W 482 -6.068 -2.568 10.312 1.00 0.00 H new ATOM 0 HD11 ILE W 482 -2.003 -3.028 9.611 1.00 0.00 H new ATOM 0 HD12 ILE W 482 -2.255 -1.556 10.580 1.00 0.00 H new ATOM 0 HD13 ILE W 482 -3.295 -2.977 10.834 1.00 0.00 H new ATOM 499 N LYS W 483 -5.484 0.798 6.495 1.00 0.00 N ATOM 500 CA LYS W 483 -4.976 1.895 5.673 1.00 0.00 C ATOM 501 C LYS W 483 -3.486 2.127 5.917 1.00 0.00 C ATOM 502 O LYS W 483 -3.101 3.025 6.666 1.00 0.00 O ATOM 503 CB LYS W 483 -5.759 3.176 5.966 1.00 0.00 C ATOM 504 CG LYS W 483 -7.254 3.038 5.733 1.00 0.00 C ATOM 505 CD LYS W 483 -7.899 2.135 6.773 1.00 0.00 C ATOM 506 CE LYS W 483 -9.336 2.542 7.049 1.00 0.00 C ATOM 507 NZ LYS W 483 -9.571 2.800 8.496 1.00 0.00 N ATOM 0 H LYS W 483 -6.095 0.150 5.998 1.00 0.00 H new ATOM 0 HA LYS W 483 -5.109 1.621 4.626 1.00 0.00 H new ATOM 0 HB2 LYS W 483 -5.586 3.470 7.001 1.00 0.00 H new ATOM 0 HB3 LYS W 483 -5.374 3.980 5.338 1.00 0.00 H new ATOM 0 HG2 LYS W 483 -7.721 4.023 5.765 1.00 0.00 H new ATOM 0 HG3 LYS W 483 -7.432 2.633 4.737 1.00 0.00 H new ATOM 0 HD2 LYS W 483 -7.873 1.102 6.426 1.00 0.00 H new ATOM 0 HD3 LYS W 483 -7.324 2.175 7.698 1.00 0.00 H new ATOM 0 HE2 LYS W 483 -9.576 3.438 6.477 1.00 0.00 H new ATOM 0 HE3 LYS W 483 -10.008 1.755 6.706 1.00 0.00 H new ATOM 0 HZ1 LYS W 483 -10.563 3.075 8.643 1.00 0.00 H new ATOM 0 HZ2 LYS W 483 -9.367 1.938 9.040 1.00 0.00 H new ATOM 0 HZ3 LYS W 483 -8.948 3.568 8.817 1.00 0.00 H new ATOM 521 N LYS W 484 -2.655 1.308 5.282 1.00 0.00 N ATOM 522 CA LYS W 484 -1.209 1.420 5.431 1.00 0.00 C ATOM 523 C LYS W 484 -0.491 0.937 4.175 1.00 0.00 C ATOM 524 O LYS W 484 -1.092 0.301 3.309 1.00 0.00 O ATOM 525 CB LYS W 484 -0.739 0.612 6.642 1.00 0.00 C ATOM 526 CG LYS W 484 0.215 1.371 7.549 1.00 0.00 C ATOM 527 CD LYS W 484 -0.246 1.338 8.997 1.00 0.00 C ATOM 528 CE LYS W 484 0.842 0.808 9.915 1.00 0.00 C ATOM 529 NZ LYS W 484 0.381 0.712 11.328 1.00 0.00 N ATOM 0 H LYS W 484 -2.958 0.559 4.659 1.00 0.00 H new ATOM 0 HA LYS W 484 -0.965 2.471 5.584 1.00 0.00 H new ATOM 0 HB2 LYS W 484 -1.609 0.303 7.221 1.00 0.00 H new ATOM 0 HB3 LYS W 484 -0.249 -0.297 6.293 1.00 0.00 H new ATOM 0 HG2 LYS W 484 1.212 0.937 7.474 1.00 0.00 H new ATOM 0 HG3 LYS W 484 0.291 2.405 7.214 1.00 0.00 H new ATOM 0 HD2 LYS W 484 -0.532 2.341 9.312 1.00 0.00 H new ATOM 0 HD3 LYS W 484 -1.134 0.711 9.083 1.00 0.00 H new ATOM 0 HE2 LYS W 484 1.160 -0.176 9.570 1.00 0.00 H new ATOM 0 HE3 LYS W 484 1.712 1.462 9.861 1.00 0.00 H new ATOM 0 HZ1 LYS W 484 1.153 0.346 11.921 1.00 0.00 H new ATOM 0 HZ2 LYS W 484 0.101 1.655 11.667 1.00 0.00 H new ATOM 0 HZ3 LYS W 484 -0.434 0.068 11.384 1.00 0.00 H new ATOM 543 N THR W 485 0.800 1.242 4.085 1.00 0.00 N ATOM 544 CA THR W 485 1.605 0.837 2.939 1.00 0.00 C ATOM 545 C THR W 485 3.032 0.509 3.366 1.00 0.00 C ATOM 546 O THR W 485 3.440 0.819 4.485 1.00 0.00 O ATOM 547 CB THR W 485 1.644 1.936 1.862 1.00 0.00 C ATOM 548 OG1 THR W 485 2.680 1.657 0.912 1.00 0.00 O ATOM 549 CG2 THR W 485 1.878 3.301 2.490 1.00 0.00 C ATOM 0 H THR W 485 1.311 1.769 4.793 1.00 0.00 H new ATOM 0 HA THR W 485 1.137 -0.053 2.519 1.00 0.00 H new ATOM 0 HB THR W 485 0.680 1.948 1.353 1.00 0.00 H new ATOM 0 HG1 THR W 485 2.403 1.969 0.025 1.00 0.00 H new ATOM 0 HG21 THR W 485 1.902 4.061 1.709 1.00 0.00 H new ATOM 0 HG22 THR W 485 1.071 3.523 3.189 1.00 0.00 H new ATOM 0 HG23 THR W 485 2.829 3.298 3.023 1.00 0.00 H new ATOM 557 N GLN W 486 3.787 -0.125 2.474 1.00 0.00 N ATOM 558 CA GLN W 486 5.165 -0.496 2.772 1.00 0.00 C ATOM 559 C GLN W 486 5.962 -0.709 1.489 1.00 0.00 C ATOM 560 O GLN W 486 5.414 -1.123 0.467 1.00 0.00 O ATOM 561 CB GLN W 486 5.187 -1.772 3.609 1.00 0.00 C ATOM 562 CG GLN W 486 4.259 -2.843 3.072 1.00 0.00 C ATOM 563 CD GLN W 486 4.634 -4.233 3.537 1.00 0.00 C ATOM 564 OE1 GLN W 486 4.463 -4.579 4.706 1.00 0.00 O ATOM 565 NE2 GLN W 486 5.148 -5.039 2.618 1.00 0.00 N ATOM 0 H GLN W 486 3.469 -0.392 1.542 1.00 0.00 H new ATOM 0 HA GLN W 486 5.626 0.317 3.333 1.00 0.00 H new ATOM 0 HB2 GLN W 486 6.204 -2.162 3.642 1.00 0.00 H new ATOM 0 HB3 GLN W 486 4.904 -1.533 4.634 1.00 0.00 H new ATOM 0 HG2 GLN W 486 3.239 -2.623 3.386 1.00 0.00 H new ATOM 0 HG3 GLN W 486 4.271 -2.814 1.982 1.00 0.00 H new ATOM 0 HE21 GLN W 486 5.271 -4.708 1.661 1.00 0.00 H new ATOM 0 HE22 GLN W 486 5.420 -5.990 2.868 1.00 0.00 H new ATOM 574 N TRP W 487 7.258 -0.421 1.553 1.00 0.00 N ATOM 575 CA TRP W 487 8.135 -0.580 0.399 1.00 0.00 C ATOM 576 C TRP W 487 8.388 -2.056 0.104 1.00 0.00 C ATOM 577 O TRP W 487 8.342 -2.486 -1.049 1.00 0.00 O ATOM 578 CB TRP W 487 9.464 0.138 0.643 1.00 0.00 C ATOM 579 CG TRP W 487 9.553 1.474 -0.028 1.00 0.00 C ATOM 580 CD1 TRP W 487 9.936 2.654 0.542 1.00 0.00 C ATOM 581 CD2 TRP W 487 9.251 1.767 -1.397 1.00 0.00 C ATOM 582 NE1 TRP W 487 9.891 3.663 -0.389 1.00 0.00 N ATOM 583 CE2 TRP W 487 9.474 3.144 -1.587 1.00 0.00 C ATOM 584 CE3 TRP W 487 8.815 0.999 -2.481 1.00 0.00 C ATOM 585 CZ2 TRP W 487 9.276 3.768 -2.816 1.00 0.00 C ATOM 586 CZ3 TRP W 487 8.618 1.620 -3.700 1.00 0.00 C ATOM 587 CH2 TRP W 487 8.849 2.993 -3.859 1.00 0.00 C ATOM 0 H TRP W 487 7.724 -0.076 2.392 1.00 0.00 H new ATOM 0 HA TRP W 487 7.641 -0.136 -0.465 1.00 0.00 H new ATOM 0 HB2 TRP W 487 9.606 0.269 1.716 1.00 0.00 H new ATOM 0 HB3 TRP W 487 10.279 -0.493 0.289 1.00 0.00 H new ATOM 0 HD1 TRP W 487 10.231 2.776 1.574 1.00 0.00 H new ATOM 0 HE1 TRP W 487 10.129 4.640 -0.217 1.00 0.00 H new ATOM 0 HE3 TRP W 487 8.635 -0.060 -2.368 1.00 0.00 H new ATOM 0 HZ2 TRP W 487 9.453 4.826 -2.941 1.00 0.00 H new ATOM 0 HZ3 TRP W 487 8.280 1.037 -4.544 1.00 0.00 H new ATOM 0 HH2 TRP W 487 8.687 3.448 -4.825 1.00 0.00 H new ATOM 598 N GLU W 488 8.659 -2.826 1.152 1.00 0.00 N ATOM 599 CA GLU W 488 8.924 -4.254 1.008 1.00 0.00 C ATOM 600 C GLU W 488 7.715 -4.984 0.433 1.00 0.00 C ATOM 601 O GLU W 488 6.655 -4.392 0.232 1.00 0.00 O ATOM 602 CB GLU W 488 9.304 -4.859 2.360 1.00 0.00 C ATOM 603 CG GLU W 488 10.297 -6.004 2.256 1.00 0.00 C ATOM 604 CD GLU W 488 11.568 -5.747 3.042 1.00 0.00 C ATOM 605 OE1 GLU W 488 12.436 -5.001 2.540 1.00 0.00 O ATOM 606 OE2 GLU W 488 11.695 -6.289 4.159 1.00 0.00 O ATOM 0 H GLU W 488 8.701 -2.485 2.112 1.00 0.00 H new ATOM 0 HA GLU W 488 9.756 -4.373 0.314 1.00 0.00 H new ATOM 0 HB2 GLU W 488 9.727 -4.078 2.992 1.00 0.00 H new ATOM 0 HB3 GLU W 488 8.401 -5.216 2.856 1.00 0.00 H new ATOM 0 HG2 GLU W 488 9.829 -6.920 2.618 1.00 0.00 H new ATOM 0 HG3 GLU W 488 10.549 -6.167 1.208 1.00 0.00 H new ATOM 613 N ASP W 489 7.885 -6.278 0.170 1.00 0.00 N ATOM 614 CA ASP W 489 6.810 -7.097 -0.381 1.00 0.00 C ATOM 615 C ASP W 489 6.247 -8.039 0.684 1.00 0.00 C ATOM 616 O ASP W 489 6.977 -8.857 1.243 1.00 0.00 O ATOM 617 CB ASP W 489 7.325 -7.907 -1.572 1.00 0.00 C ATOM 618 CG ASP W 489 8.150 -7.069 -2.528 1.00 0.00 C ATOM 619 OD1 ASP W 489 9.251 -6.630 -2.136 1.00 0.00 O ATOM 620 OD2 ASP W 489 7.694 -6.852 -3.671 1.00 0.00 O ATOM 0 H ASP W 489 8.758 -6.781 0.330 1.00 0.00 H new ATOM 0 HA ASP W 489 6.011 -6.435 -0.716 1.00 0.00 H new ATOM 0 HB2 ASP W 489 7.929 -8.739 -1.208 1.00 0.00 H new ATOM 0 HB3 ASP W 489 6.479 -8.338 -2.108 1.00 0.00 H new ATOM 625 N PRO W 490 4.940 -7.934 0.988 1.00 0.00 N ATOM 626 CA PRO W 490 4.299 -8.777 1.997 1.00 0.00 C ATOM 627 C PRO W 490 3.879 -10.140 1.455 1.00 0.00 C ATOM 628 O PRO W 490 3.994 -11.153 2.147 1.00 0.00 O ATOM 629 CB PRO W 490 3.074 -7.956 2.390 1.00 0.00 C ATOM 630 CG PRO W 490 2.709 -7.201 1.155 1.00 0.00 C ATOM 631 CD PRO W 490 3.989 -6.981 0.385 1.00 0.00 C ATOM 0 HA PRO W 490 4.971 -9.009 2.824 1.00 0.00 H new ATOM 0 HB2 PRO W 490 2.256 -8.598 2.718 1.00 0.00 H new ATOM 0 HB3 PRO W 490 3.299 -7.280 3.215 1.00 0.00 H new ATOM 0 HG2 PRO W 490 1.990 -7.761 0.558 1.00 0.00 H new ATOM 0 HG3 PRO W 490 2.241 -6.249 1.408 1.00 0.00 H new ATOM 0 HD2 PRO W 490 3.852 -7.174 -0.679 1.00 0.00 H new ATOM 0 HD3 PRO W 490 4.340 -5.953 0.480 1.00 0.00 H new ATOM 639 N ARG W 491 3.387 -10.163 0.223 1.00 0.00 N ATOM 640 CA ARG W 491 2.946 -11.411 -0.397 1.00 0.00 C ATOM 641 C ARG W 491 4.136 -12.267 -0.820 1.00 0.00 C ATOM 642 O ARG W 491 4.034 -13.492 -0.895 1.00 0.00 O ATOM 643 CB ARG W 491 2.041 -11.138 -1.605 1.00 0.00 C ATOM 644 CG ARG W 491 2.442 -9.921 -2.427 1.00 0.00 C ATOM 645 CD ARG W 491 2.303 -10.172 -3.921 1.00 0.00 C ATOM 646 NE ARG W 491 2.848 -11.466 -4.318 1.00 0.00 N ATOM 647 CZ ARG W 491 2.446 -12.141 -5.391 1.00 0.00 C ATOM 648 NH1 ARG W 491 1.527 -11.630 -6.199 1.00 0.00 N ATOM 649 NH2 ARG W 491 2.970 -13.327 -5.661 1.00 0.00 N ATOM 0 H ARG W 491 3.283 -9.337 -0.366 1.00 0.00 H new ATOM 0 HA ARG W 491 2.373 -11.960 0.350 1.00 0.00 H new ATOM 0 HB2 ARG W 491 2.044 -12.015 -2.252 1.00 0.00 H new ATOM 0 HB3 ARG W 491 1.018 -11.004 -1.254 1.00 0.00 H new ATOM 0 HG2 ARG W 491 1.822 -9.071 -2.143 1.00 0.00 H new ATOM 0 HG3 ARG W 491 3.474 -9.653 -2.199 1.00 0.00 H new ATOM 0 HD2 ARG W 491 1.250 -10.123 -4.199 1.00 0.00 H new ATOM 0 HD3 ARG W 491 2.815 -9.381 -4.469 1.00 0.00 H new ATOM 0 HE ARG W 491 3.580 -11.877 -3.739 1.00 0.00 H new ATOM 0 HH11 ARG W 491 1.124 -10.714 -5.999 1.00 0.00 H new ATOM 0 HH12 ARG W 491 1.223 -12.153 -7.020 1.00 0.00 H new ATOM 0 HH21 ARG W 491 3.681 -13.722 -5.046 1.00 0.00 H new ATOM 0 HH22 ARG W 491 2.662 -13.845 -6.484 1.00 0.00 H new ATOM 663 N MET W 492 5.265 -11.620 -1.092 1.00 0.00 N ATOM 664 CA MET W 492 6.469 -12.333 -1.505 1.00 0.00 C ATOM 665 C MET W 492 7.249 -12.832 -0.293 1.00 0.00 C ATOM 666 O MET W 492 7.931 -13.855 -0.359 1.00 0.00 O ATOM 667 CB MET W 492 7.360 -11.428 -2.360 1.00 0.00 C ATOM 668 CG MET W 492 8.673 -12.078 -2.766 1.00 0.00 C ATOM 669 SD MET W 492 8.701 -12.564 -4.502 1.00 0.00 S ATOM 670 CE MET W 492 10.155 -11.688 -5.075 1.00 0.00 C ATOM 0 H MET W 492 5.371 -10.607 -1.034 1.00 0.00 H new ATOM 0 HA MET W 492 6.162 -13.194 -2.099 1.00 0.00 H new ATOM 0 HB2 MET W 492 6.814 -11.138 -3.258 1.00 0.00 H new ATOM 0 HB3 MET W 492 7.572 -10.513 -1.807 1.00 0.00 H new ATOM 0 HG2 MET W 492 9.492 -11.385 -2.574 1.00 0.00 H new ATOM 0 HG3 MET W 492 8.847 -12.956 -2.144 1.00 0.00 H new ATOM 0 HE1 MET W 492 10.306 -11.889 -6.136 1.00 0.00 H new ATOM 0 HE2 MET W 492 10.018 -10.617 -4.924 1.00 0.00 H new ATOM 0 HE3 MET W 492 11.027 -12.024 -4.514 1.00 0.00 H new ATOM 680 N GLN W 493 7.143 -12.102 0.813 1.00 0.00 N ATOM 681 CA GLN W 493 7.839 -12.471 2.041 1.00 0.00 C ATOM 682 C GLN W 493 7.144 -13.641 2.731 1.00 0.00 C ATOM 683 O GLN W 493 6.193 -13.453 3.489 1.00 0.00 O ATOM 684 CB GLN W 493 7.908 -11.273 2.990 1.00 0.00 C ATOM 685 CG GLN W 493 9.245 -10.548 2.960 1.00 0.00 C ATOM 686 CD GLN W 493 10.422 -11.484 3.153 1.00 0.00 C ATOM 687 OE1 GLN W 493 10.653 -11.991 4.251 1.00 0.00 O ATOM 688 NE2 GLN W 493 11.176 -11.715 2.084 1.00 0.00 N ATOM 0 H GLN W 493 6.583 -11.253 0.884 1.00 0.00 H new ATOM 0 HA GLN W 493 8.851 -12.778 1.778 1.00 0.00 H new ATOM 0 HB2 GLN W 493 7.117 -10.569 2.731 1.00 0.00 H new ATOM 0 HB3 GLN W 493 7.712 -11.614 4.007 1.00 0.00 H new ATOM 0 HG2 GLN W 493 9.351 -10.029 2.007 1.00 0.00 H new ATOM 0 HG3 GLN W 493 9.259 -9.787 3.741 1.00 0.00 H new ATOM 0 HE21 GLN W 493 10.947 -11.273 1.194 1.00 0.00 H new ATOM 0 HE22 GLN W 493 11.984 -12.334 2.154 1.00 0.00 H new ATOM 697 N ASN W 494 7.627 -14.850 2.463 1.00 0.00 N ATOM 698 CA ASN W 494 7.054 -16.053 3.057 1.00 0.00 C ATOM 699 C ASN W 494 8.014 -17.231 2.927 1.00 0.00 C ATOM 700 O ASN W 494 8.591 -17.458 1.863 1.00 0.00 O ATOM 701 CB ASN W 494 5.719 -16.392 2.391 1.00 0.00 C ATOM 702 CG ASN W 494 5.809 -16.382 0.878 1.00 0.00 C ATOM 703 OD1 ASN W 494 5.748 -15.193 0.289 1.00 0.00 O flip ATOM 704 ND2 ASN W 494 5.935 -17.430 0.244 1.00 0.00 N flip ATOM 0 H ASN W 494 8.414 -15.023 1.838 1.00 0.00 H new ATOM 0 HA ASN W 494 6.883 -15.860 4.116 1.00 0.00 H new ATOM 0 HB2 ASN W 494 5.388 -17.375 2.726 1.00 0.00 H new ATOM 0 HB3 ASN W 494 4.963 -15.675 2.712 1.00 0.00 H new ATOM 0 HD21 ASN W 494 5.978 -18.322 0.737 1.00 0.00 H new ATOM 0 HD22 ASN W 494 5.997 -17.406 -0.774 1.00 0.00 H new ATOM 711 N VAL W 495 8.183 -17.975 4.017 1.00 0.00 N ATOM 712 CA VAL W 495 9.076 -19.132 4.033 1.00 0.00 C ATOM 713 C VAL W 495 10.405 -18.820 3.350 1.00 0.00 C ATOM 714 O VAL W 495 10.994 -19.675 2.690 1.00 0.00 O ATOM 715 CB VAL W 495 8.432 -20.355 3.349 1.00 0.00 C ATOM 716 CG1 VAL W 495 8.243 -20.106 1.860 1.00 0.00 C ATOM 717 CG2 VAL W 495 9.273 -21.601 3.585 1.00 0.00 C ATOM 0 H VAL W 495 7.712 -17.797 4.904 1.00 0.00 H new ATOM 0 HA VAL W 495 9.260 -19.368 5.081 1.00 0.00 H new ATOM 0 HB VAL W 495 7.449 -20.515 3.791 1.00 0.00 H new ATOM 0 HG11 VAL W 495 7.787 -20.983 1.399 1.00 0.00 H new ATOM 0 HG12 VAL W 495 7.595 -19.242 1.715 1.00 0.00 H new ATOM 0 HG13 VAL W 495 9.211 -19.915 1.397 1.00 0.00 H new ATOM 0 HG21 VAL W 495 8.804 -22.455 3.096 1.00 0.00 H new ATOM 0 HG22 VAL W 495 10.271 -21.450 3.173 1.00 0.00 H new ATOM 0 HG23 VAL W 495 9.347 -21.792 4.655 1.00 0.00 H new ATOM 727 N ALA W 496 10.868 -17.585 3.513 1.00 0.00 N ATOM 728 CA ALA W 496 12.124 -17.154 2.914 1.00 0.00 C ATOM 729 C ALA W 496 12.560 -15.804 3.473 1.00 0.00 C ATOM 730 O ALA W 496 11.787 -14.845 3.475 1.00 0.00 O ATOM 731 CB ALA W 496 11.988 -17.086 1.401 1.00 0.00 C ATOM 0 H ALA W 496 10.391 -16.865 4.056 1.00 0.00 H new ATOM 0 HA ALA W 496 12.892 -17.886 3.165 1.00 0.00 H new ATOM 0 HB1 ALA W 496 12.933 -16.763 0.965 1.00 0.00 H new ATOM 0 HB2 ALA W 496 11.728 -18.071 1.014 1.00 0.00 H new ATOM 0 HB3 ALA W 496 11.205 -16.375 1.138 1.00 0.00 H new ATOM 737 N ILE W 497 13.798 -15.737 3.949 1.00 0.00 N ATOM 738 CA ILE W 497 14.331 -14.504 4.513 1.00 0.00 C ATOM 739 C ILE W 497 13.425 -13.970 5.618 1.00 0.00 C ATOM 740 O ILE W 497 13.434 -12.776 5.919 1.00 0.00 O ATOM 741 CB ILE W 497 14.500 -13.417 3.435 1.00 0.00 C ATOM 742 CG1 ILE W 497 15.198 -13.991 2.202 1.00 0.00 C ATOM 743 CG2 ILE W 497 15.280 -12.235 3.993 1.00 0.00 C ATOM 744 CD1 ILE W 497 14.295 -14.095 0.990 1.00 0.00 C ATOM 0 H ILE W 497 14.450 -16.521 3.955 1.00 0.00 H new ATOM 0 HA ILE W 497 15.309 -14.745 4.930 1.00 0.00 H new ATOM 0 HB ILE W 497 13.512 -13.067 3.136 1.00 0.00 H new ATOM 0 HG12 ILE W 497 16.055 -13.364 1.954 1.00 0.00 H new ATOM 0 HG13 ILE W 497 15.586 -14.981 2.442 1.00 0.00 H new ATOM 0 HG21 ILE W 497 15.391 -11.475 3.220 1.00 0.00 H new ATOM 0 HG22 ILE W 497 14.743 -11.813 4.842 1.00 0.00 H new ATOM 0 HG23 ILE W 497 16.265 -12.570 4.317 1.00 0.00 H new ATOM 0 HD11 ILE W 497 14.856 -14.510 0.153 1.00 0.00 H new ATOM 0 HD12 ILE W 497 13.451 -14.746 1.220 1.00 0.00 H new ATOM 0 HD13 ILE W 497 13.927 -13.104 0.724 1.00 0.00 H new ATOM 756 N THR W 498 12.641 -14.862 6.218 1.00 0.00 N ATOM 757 CA THR W 498 11.728 -14.480 7.289 1.00 0.00 C ATOM 758 C THR W 498 12.348 -14.738 8.657 1.00 0.00 C ATOM 759 O THR W 498 13.079 -15.710 8.845 1.00 0.00 O ATOM 760 CB THR W 498 10.395 -15.246 7.193 1.00 0.00 C ATOM 761 OG1 THR W 498 10.641 -16.658 7.189 1.00 0.00 O ATOM 762 CG2 THR W 498 9.636 -14.856 5.934 1.00 0.00 C ATOM 0 H THR W 498 12.620 -15.854 5.980 1.00 0.00 H new ATOM 0 HA THR W 498 11.536 -13.413 7.173 1.00 0.00 H new ATOM 0 HB THR W 498 9.788 -14.985 8.060 1.00 0.00 H new ATOM 0 HG1 THR W 498 9.789 -17.138 7.130 1.00 0.00 H new ATOM 0 HG21 THR W 498 8.698 -15.410 5.888 1.00 0.00 H new ATOM 0 HG22 THR W 498 9.425 -13.787 5.953 1.00 0.00 H new ATOM 0 HG23 THR W 498 10.240 -15.092 5.058 1.00 0.00 H new ATOM 770 N GLY W 499 12.050 -13.861 9.611 1.00 0.00 N ATOM 771 CA GLY W 499 12.587 -14.013 10.950 1.00 0.00 C ATOM 772 C GLY W 499 12.980 -12.688 11.572 1.00 0.00 C ATOM 773 O GLY W 499 14.169 -12.318 11.478 1.00 0.00 O ATOM 774 OXT GLY W 499 12.098 -12.018 12.150 1.00 0.00 O ATOM 0 H GLY W 499 11.447 -13.049 9.480 1.00 0.00 H new ATOM 0 HA2 GLY W 499 11.845 -14.502 11.582 1.00 0.00 H new ATOM 0 HA3 GLY W 499 13.458 -14.667 10.916 1.00 0.00 H new TER 778 GLY W 499 ATOM 779 N GLY B 605 7.259 19.449 -0.706 1.00 0.00 N ATOM 780 CA GLY B 605 7.893 18.141 -1.029 1.00 0.00 C ATOM 781 C GLY B 605 8.364 18.063 -2.467 1.00 0.00 C ATOM 782 O GLY B 605 7.558 18.140 -3.396 1.00 0.00 O ATOM 0 HA2 GLY B 605 8.740 17.978 -0.363 1.00 0.00 H new ATOM 0 HA3 GLY B 605 7.180 17.339 -0.840 1.00 0.00 H new ATOM 788 N SER B 606 9.670 17.909 -2.654 1.00 0.00 N ATOM 789 CA SER B 606 10.246 17.821 -3.991 1.00 0.00 C ATOM 790 C SER B 606 11.455 16.893 -4.003 1.00 0.00 C ATOM 791 O SER B 606 11.567 16.013 -4.856 1.00 0.00 O ATOM 792 CB SER B 606 10.649 19.210 -4.486 1.00 0.00 C ATOM 793 OG SER B 606 9.632 19.780 -5.290 1.00 0.00 O ATOM 0 H SER B 606 10.350 17.842 -1.897 1.00 0.00 H new ATOM 0 HA SER B 606 9.490 17.410 -4.659 1.00 0.00 H new ATOM 0 HB2 SER B 606 10.850 19.859 -3.634 1.00 0.00 H new ATOM 0 HB3 SER B 606 11.574 19.141 -5.059 1.00 0.00 H new ATOM 0 HG SER B 606 8.755 19.484 -4.967 1.00 0.00 H new ATOM 799 N THR B 607 12.359 17.096 -3.050 1.00 0.00 N ATOM 800 CA THR B 607 13.562 16.278 -2.952 1.00 0.00 C ATOM 801 C THR B 607 13.429 15.238 -1.845 1.00 0.00 C ATOM 802 O THR B 607 13.929 14.119 -1.968 1.00 0.00 O ATOM 803 CB THR B 607 14.807 17.141 -2.683 1.00 0.00 C ATOM 804 OG1 THR B 607 14.911 18.173 -3.670 1.00 0.00 O ATOM 805 CG2 THR B 607 16.068 16.290 -2.697 1.00 0.00 C ATOM 0 H THR B 607 12.281 17.819 -2.335 1.00 0.00 H new ATOM 0 HA THR B 607 13.681 15.772 -3.910 1.00 0.00 H new ATOM 0 HB THR B 607 14.703 17.592 -1.696 1.00 0.00 H new ATOM 0 HG1 THR B 607 15.705 18.719 -3.490 1.00 0.00 H new ATOM 0 HG21 THR B 607 16.935 16.922 -2.505 1.00 0.00 H new ATOM 0 HG22 THR B 607 15.999 15.524 -1.925 1.00 0.00 H new ATOM 0 HG23 THR B 607 16.175 15.814 -3.672 1.00 0.00 H new ATOM 813 N LEU B 608 12.754 15.614 -0.765 1.00 0.00 N ATOM 814 CA LEU B 608 12.555 14.716 0.365 1.00 0.00 C ATOM 815 C LEU B 608 11.083 14.340 0.511 1.00 0.00 C ATOM 816 O LEU B 608 10.394 14.831 1.406 1.00 0.00 O ATOM 817 CB LEU B 608 13.057 15.367 1.656 1.00 0.00 C ATOM 818 CG LEU B 608 13.424 14.389 2.772 1.00 0.00 C ATOM 819 CD1 LEU B 608 14.760 13.724 2.483 1.00 0.00 C ATOM 820 CD2 LEU B 608 13.461 15.107 4.114 1.00 0.00 C ATOM 0 H LEU B 608 12.335 16.537 -0.649 1.00 0.00 H new ATOM 0 HA LEU B 608 13.126 13.807 0.178 1.00 0.00 H new ATOM 0 HB2 LEU B 608 13.932 15.974 1.423 1.00 0.00 H new ATOM 0 HB3 LEU B 608 12.288 16.045 2.026 1.00 0.00 H new ATOM 0 HG LEU B 608 12.660 13.613 2.817 1.00 0.00 H new ATOM 0 HD11 LEU B 608 15.004 13.032 3.289 1.00 0.00 H new ATOM 0 HD12 LEU B 608 14.699 13.178 1.542 1.00 0.00 H new ATOM 0 HD13 LEU B 608 15.537 14.485 2.411 1.00 0.00 H new ATOM 0 HD21 LEU B 608 13.724 14.398 4.899 1.00 0.00 H new ATOM 0 HD22 LEU B 608 14.205 15.903 4.080 1.00 0.00 H new ATOM 0 HD23 LEU B 608 12.481 15.535 4.325 1.00 0.00 H new ATOM 832 N PRO B 609 10.577 13.462 -0.372 1.00 0.00 N ATOM 833 CA PRO B 609 9.180 13.025 -0.336 1.00 0.00 C ATOM 834 C PRO B 609 8.895 12.084 0.830 1.00 0.00 C ATOM 835 O PRO B 609 7.849 12.177 1.473 1.00 0.00 O ATOM 836 CB PRO B 609 9.003 12.296 -1.669 1.00 0.00 C ATOM 837 CG PRO B 609 10.367 11.806 -2.015 1.00 0.00 C ATOM 838 CD PRO B 609 11.329 12.829 -1.473 1.00 0.00 C ATOM 0 HA PRO B 609 8.495 13.861 -0.198 1.00 0.00 H new ATOM 0 HB2 PRO B 609 8.297 11.471 -1.578 1.00 0.00 H new ATOM 0 HB3 PRO B 609 8.615 12.964 -2.438 1.00 0.00 H new ATOM 0 HG2 PRO B 609 10.552 10.826 -1.575 1.00 0.00 H new ATOM 0 HG3 PRO B 609 10.480 11.698 -3.094 1.00 0.00 H new ATOM 0 HD2 PRO B 609 12.249 12.365 -1.116 1.00 0.00 H new ATOM 0 HD3 PRO B 609 11.613 13.555 -2.234 1.00 0.00 H new ATOM 846 N ILE B 610 9.833 11.181 1.100 1.00 0.00 N ATOM 847 CA ILE B 610 9.682 10.224 2.194 1.00 0.00 C ATOM 848 C ILE B 610 11.045 9.786 2.727 1.00 0.00 C ATOM 849 O ILE B 610 11.691 8.908 2.152 1.00 0.00 O ATOM 850 CB ILE B 610 8.896 8.965 1.754 1.00 0.00 C ATOM 851 CG1 ILE B 610 9.249 8.592 0.313 1.00 0.00 C ATOM 852 CG2 ILE B 610 7.389 9.169 1.897 1.00 0.00 C ATOM 853 CD1 ILE B 610 8.702 7.248 -0.114 1.00 0.00 C ATOM 0 H ILE B 610 10.705 11.091 0.578 1.00 0.00 H new ATOM 0 HA ILE B 610 9.123 10.734 2.978 1.00 0.00 H new ATOM 0 HB ILE B 610 9.185 8.145 2.412 1.00 0.00 H new ATOM 0 HG12 ILE B 610 8.865 9.361 -0.357 1.00 0.00 H new ATOM 0 HG13 ILE B 610 10.333 8.586 0.203 1.00 0.00 H new ATOM 0 HG21 ILE B 610 6.868 8.266 1.579 1.00 0.00 H new ATOM 0 HG22 ILE B 610 7.148 9.380 2.939 1.00 0.00 H new ATOM 0 HG23 ILE B 610 7.075 10.007 1.275 1.00 0.00 H new ATOM 0 HD11 ILE B 610 8.991 7.049 -1.146 1.00 0.00 H new ATOM 0 HD12 ILE B 610 9.106 6.469 0.533 1.00 0.00 H new ATOM 0 HD13 ILE B 610 7.615 7.256 -0.037 1.00 0.00 H new ATOM 865 N PRO B 611 11.504 10.392 3.835 1.00 0.00 N ATOM 866 CA PRO B 611 12.797 10.058 4.441 1.00 0.00 C ATOM 867 C PRO B 611 12.847 8.614 4.935 1.00 0.00 C ATOM 868 O PRO B 611 13.784 7.876 4.629 1.00 0.00 O ATOM 869 CB PRO B 611 12.913 11.028 5.625 1.00 0.00 C ATOM 870 CG PRO B 611 11.914 12.102 5.353 1.00 0.00 C ATOM 871 CD PRO B 611 10.804 11.446 4.585 1.00 0.00 C ATOM 0 HA PRO B 611 13.612 10.149 3.723 1.00 0.00 H new ATOM 0 HB2 PRO B 611 12.702 10.524 6.568 1.00 0.00 H new ATOM 0 HB3 PRO B 611 13.920 11.438 5.701 1.00 0.00 H new ATOM 0 HG2 PRO B 611 11.543 12.535 6.282 1.00 0.00 H new ATOM 0 HG3 PRO B 611 12.360 12.914 4.778 1.00 0.00 H new ATOM 0 HD2 PRO B 611 10.043 11.033 5.247 1.00 0.00 H new ATOM 0 HD3 PRO B 611 10.301 12.149 3.921 1.00 0.00 H new ATOM 879 N GLY B 612 11.836 8.223 5.703 1.00 0.00 N ATOM 880 CA GLY B 612 11.786 6.870 6.231 1.00 0.00 C ATOM 881 C GLY B 612 10.405 6.242 6.134 1.00 0.00 C ATOM 882 O GLY B 612 10.283 5.040 5.900 1.00 0.00 O ATOM 0 H GLY B 612 11.051 8.817 5.970 1.00 0.00 H new ATOM 0 HA2 GLY B 612 12.500 6.249 5.690 1.00 0.00 H new ATOM 0 HA3 GLY B 612 12.101 6.882 7.275 1.00 0.00 H new ATOM 886 N THR B 613 9.364 7.050 6.319 1.00 0.00 N ATOM 887 CA THR B 613 7.995 6.553 6.253 1.00 0.00 C ATOM 888 C THR B 613 7.717 5.875 4.913 1.00 0.00 C ATOM 889 O THR B 613 8.302 6.237 3.893 1.00 0.00 O ATOM 890 CB THR B 613 6.973 7.686 6.464 1.00 0.00 C ATOM 891 OG1 THR B 613 7.317 8.814 5.650 1.00 0.00 O ATOM 892 CG2 THR B 613 6.925 8.105 7.926 1.00 0.00 C ATOM 0 H THR B 613 9.443 8.048 6.515 1.00 0.00 H new ATOM 0 HA THR B 613 7.887 5.823 7.055 1.00 0.00 H new ATOM 0 HB THR B 613 5.989 7.317 6.175 1.00 0.00 H new ATOM 0 HG1 THR B 613 6.662 9.529 5.788 1.00 0.00 H new ATOM 0 HG21 THR B 613 6.197 8.906 8.051 1.00 0.00 H new ATOM 0 HG22 THR B 613 6.635 7.252 8.540 1.00 0.00 H new ATOM 0 HG23 THR B 613 7.909 8.457 8.236 1.00 0.00 H new ATOM 900 N PRO B 614 6.816 4.876 4.900 1.00 0.00 N ATOM 901 CA PRO B 614 6.461 4.144 3.680 1.00 0.00 C ATOM 902 C PRO B 614 5.944 5.064 2.578 1.00 0.00 C ATOM 903 O PRO B 614 5.852 6.278 2.764 1.00 0.00 O ATOM 904 CB PRO B 614 5.354 3.182 4.135 1.00 0.00 C ATOM 905 CG PRO B 614 4.885 3.711 5.447 1.00 0.00 C ATOM 906 CD PRO B 614 6.074 4.382 6.070 1.00 0.00 C ATOM 0 HA PRO B 614 7.327 3.640 3.250 1.00 0.00 H new ATOM 0 HB2 PRO B 614 4.540 3.149 3.411 1.00 0.00 H new ATOM 0 HB3 PRO B 614 5.734 2.165 4.234 1.00 0.00 H new ATOM 0 HG2 PRO B 614 4.065 4.416 5.313 1.00 0.00 H new ATOM 0 HG3 PRO B 614 4.513 2.907 6.082 1.00 0.00 H new ATOM 0 HD2 PRO B 614 5.779 5.194 6.735 1.00 0.00 H new ATOM 0 HD3 PRO B 614 6.668 3.686 6.662 1.00 0.00 H new ATOM 914 N PRO B 615 5.598 4.494 1.410 1.00 0.00 N ATOM 915 CA PRO B 615 5.088 5.267 0.273 1.00 0.00 C ATOM 916 C PRO B 615 3.893 6.138 0.652 1.00 0.00 C ATOM 917 O PRO B 615 3.539 6.245 1.827 1.00 0.00 O ATOM 918 CB PRO B 615 4.667 4.191 -0.732 1.00 0.00 C ATOM 919 CG PRO B 615 5.489 2.999 -0.382 1.00 0.00 C ATOM 920 CD PRO B 615 5.679 3.052 1.107 1.00 0.00 C ATOM 0 HA PRO B 615 5.835 5.960 -0.113 1.00 0.00 H new ATOM 0 HB2 PRO B 615 3.602 3.973 -0.655 1.00 0.00 H new ATOM 0 HB3 PRO B 615 4.853 4.513 -1.757 1.00 0.00 H new ATOM 0 HG2 PRO B 615 4.987 2.078 -0.679 1.00 0.00 H new ATOM 0 HG3 PRO B 615 6.448 3.021 -0.899 1.00 0.00 H new ATOM 0 HD2 PRO B 615 4.908 2.487 1.631 1.00 0.00 H new ATOM 0 HD3 PRO B 615 6.640 2.632 1.405 1.00 0.00 H new ATOM 928 N PRO B 616 3.253 6.779 -0.343 1.00 0.00 N ATOM 929 CA PRO B 616 2.094 7.647 -0.110 1.00 0.00 C ATOM 930 C PRO B 616 1.019 6.972 0.736 1.00 0.00 C ATOM 931 O PRO B 616 0.574 5.866 0.429 1.00 0.00 O ATOM 932 CB PRO B 616 1.567 7.920 -1.519 1.00 0.00 C ATOM 933 CG PRO B 616 2.756 7.774 -2.403 1.00 0.00 C ATOM 934 CD PRO B 616 3.612 6.708 -1.773 1.00 0.00 C ATOM 0 HA PRO B 616 2.366 8.546 0.443 1.00 0.00 H new ATOM 0 HB2 PRO B 616 0.782 7.215 -1.792 1.00 0.00 H new ATOM 0 HB3 PRO B 616 1.138 8.919 -1.594 1.00 0.00 H new ATOM 0 HG2 PRO B 616 2.459 7.490 -3.413 1.00 0.00 H new ATOM 0 HG3 PRO B 616 3.300 8.715 -2.483 1.00 0.00 H new ATOM 0 HD2 PRO B 616 3.401 5.724 -2.192 1.00 0.00 H new ATOM 0 HD3 PRO B 616 4.673 6.900 -1.931 1.00 0.00 H new ATOM 942 N ASN B 617 0.604 7.648 1.803 1.00 0.00 N ATOM 943 CA ASN B 617 -0.421 7.120 2.695 1.00 0.00 C ATOM 944 C ASN B 617 -1.729 6.885 1.945 1.00 0.00 C ATOM 945 O ASN B 617 -2.014 7.553 0.951 1.00 0.00 O ATOM 946 CB ASN B 617 -0.658 8.078 3.863 1.00 0.00 C ATOM 947 CG ASN B 617 -1.522 7.463 4.949 1.00 0.00 C ATOM 948 OD1 ASN B 617 -2.499 8.065 5.396 1.00 0.00 O ATOM 949 ND2 ASN B 617 -1.163 6.259 5.379 1.00 0.00 N ATOM 0 H ASN B 617 0.963 8.564 2.071 1.00 0.00 H new ATOM 0 HA ASN B 617 -0.067 6.165 3.083 1.00 0.00 H new ATOM 0 HB2 ASN B 617 0.301 8.372 4.289 1.00 0.00 H new ATOM 0 HB3 ASN B 617 -1.135 8.986 3.494 1.00 0.00 H new ATOM 0 HD21 ASN B 617 -1.705 5.796 6.109 1.00 0.00 H new ATOM 0 HD22 ASN B 617 -0.346 5.798 4.980 1.00 0.00 H new ATOM 956 N TYR B 618 -2.519 5.932 2.429 1.00 0.00 N ATOM 957 CA TYR B 618 -3.796 5.611 1.803 1.00 0.00 C ATOM 958 C TYR B 618 -4.732 6.814 1.835 1.00 0.00 C ATOM 959 O TYR B 618 -5.463 7.070 0.877 1.00 0.00 O ATOM 960 CB TYR B 618 -4.451 4.424 2.513 1.00 0.00 C ATOM 961 CG TYR B 618 -5.769 4.003 1.902 1.00 0.00 C ATOM 962 CD1 TYR B 618 -5.843 3.597 0.577 1.00 0.00 C ATOM 963 CD2 TYR B 618 -6.937 4.013 2.652 1.00 0.00 C ATOM 964 CE1 TYR B 618 -7.045 3.210 0.015 1.00 0.00 C ATOM 965 CE2 TYR B 618 -8.143 3.628 2.099 1.00 0.00 C ATOM 966 CZ TYR B 618 -8.192 3.229 0.780 1.00 0.00 C ATOM 967 OH TYR B 618 -9.392 2.845 0.225 1.00 0.00 O ATOM 0 H TYR B 618 -2.298 5.370 3.251 1.00 0.00 H new ATOM 0 HA TYR B 618 -3.607 5.345 0.763 1.00 0.00 H new ATOM 0 HB2 TYR B 618 -3.765 3.577 2.495 1.00 0.00 H new ATOM 0 HB3 TYR B 618 -4.612 4.681 3.560 1.00 0.00 H new ATOM 0 HD1 TYR B 618 -4.946 3.583 -0.025 1.00 0.00 H new ATOM 0 HD2 TYR B 618 -6.902 4.327 3.685 1.00 0.00 H new ATOM 0 HE1 TYR B 618 -7.086 2.895 -1.017 1.00 0.00 H new ATOM 0 HE2 TYR B 618 -9.043 3.639 2.697 1.00 0.00 H new ATOM 0 HH TYR B 618 -10.101 2.915 0.898 1.00 0.00 H new ATOM 977 N ASP B 619 -4.703 7.553 2.940 1.00 0.00 N ATOM 978 CA ASP B 619 -5.548 8.732 3.092 1.00 0.00 C ATOM 979 C ASP B 619 -5.158 9.813 2.088 1.00 0.00 C ATOM 980 O ASP B 619 -5.990 10.624 1.680 1.00 0.00 O ATOM 981 CB ASP B 619 -5.442 9.280 4.517 1.00 0.00 C ATOM 982 CG ASP B 619 -6.542 10.274 4.839 1.00 0.00 C ATOM 983 OD1 ASP B 619 -7.727 9.932 4.643 1.00 0.00 O ATOM 984 OD2 ASP B 619 -6.217 11.393 5.290 1.00 0.00 O ATOM 0 H ASP B 619 -4.104 7.356 3.742 1.00 0.00 H new ATOM 0 HA ASP B 619 -6.580 8.438 2.899 1.00 0.00 H new ATOM 0 HB2 ASP B 619 -5.485 8.453 5.225 1.00 0.00 H new ATOM 0 HB3 ASP B 619 -4.472 9.761 4.647 1.00 0.00 H new ATOM 989 N SER B 620 -3.890 9.816 1.692 1.00 0.00 N ATOM 990 CA SER B 620 -3.391 10.795 0.734 1.00 0.00 C ATOM 991 C SER B 620 -3.644 10.330 -0.696 1.00 0.00 C ATOM 992 O SER B 620 -3.749 11.143 -1.614 1.00 0.00 O ATOM 993 CB SER B 620 -1.895 11.034 0.950 1.00 0.00 C ATOM 994 OG SER B 620 -1.646 12.370 1.351 1.00 0.00 O ATOM 0 H SER B 620 -3.189 9.151 2.020 1.00 0.00 H new ATOM 0 HA SER B 620 -3.927 11.731 0.893 1.00 0.00 H new ATOM 0 HB2 SER B 620 -1.519 10.347 1.708 1.00 0.00 H new ATOM 0 HB3 SER B 620 -1.352 10.820 0.029 1.00 0.00 H new ATOM 0 HG SER B 620 -0.684 12.498 1.484 1.00 0.00 H new ATOM 1000 N LEU B 621 -3.743 9.017 -0.877 1.00 0.00 N ATOM 1001 CA LEU B 621 -3.985 8.443 -2.194 1.00 0.00 C ATOM 1002 C LEU B 621 -5.431 8.664 -2.627 1.00 0.00 C ATOM 1003 O LEU B 621 -5.750 9.786 -3.074 1.00 0.00 O ATOM 1004 CB LEU B 621 -3.666 6.948 -2.185 1.00 0.00 C ATOM 1005 CG LEU B 621 -2.211 6.598 -2.498 1.00 0.00 C ATOM 1006 CD1 LEU B 621 -2.010 5.091 -2.474 1.00 0.00 C ATOM 1007 CD2 LEU B 621 -1.802 7.172 -3.846 1.00 0.00 C ATOM 1008 OXT LEU B 621 -6.234 7.713 -2.515 1.00 0.00 O ATOM 0 H LEU B 621 -3.659 8.331 -0.127 1.00 0.00 H new ATOM 0 HA LEU B 621 -3.331 8.944 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU B 621 -3.919 6.543 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU B 621 -4.308 6.450 -2.911 1.00 0.00 H new ATOM 0 HG LEU B 621 -1.576 7.042 -1.731 1.00 0.00 H new ATOM 0 HD11 LEU B 621 -0.969 4.859 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU B 621 -2.262 4.706 -1.486 1.00 0.00 H new ATOM 0 HD13 LEU B 621 -2.655 4.626 -3.220 1.00 0.00 H new ATOM 0 HD21 LEU B 621 -0.763 6.913 -4.052 1.00 0.00 H new ATOM 0 HD22 LEU B 621 -2.441 6.758 -4.626 1.00 0.00 H new ATOM 0 HD23 LEU B 621 -1.908 8.257 -3.827 1.00 0.00 H new TER 1020 LEU B 621