USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=14 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= -0.123 K(o=-1.8,f=-9.8!) USER MOD Set 1.2: W 481 ASN : amide:sc= -1.66! C(o=-1.8!,f=-11!) USER MOD Single : B 606 SER OG : rot 180:sc= 0 USER MOD Single : B 607 THR OG1 : rot 180:sc= 0.0737 USER MOD Single : B 613 THR OG1 : rot 180:sc= 0 USER MOD Single : B 617 ASN : amide:sc= -0.537 X(o=-0.54,f=-0.15) USER MOD Single : B 618 TYR OH : rot 180:sc= 0 USER MOD Single : B 620 SER OG : rot 180:sc= 0 USER MOD Single : W 451 SER OG : rot 100:sc= -0.881 USER MOD Single : W 455 SER OG : rot 180:sc= 0 USER MOD Single : W 456 ASN : amide:sc= -0.928! C(o=-0.93!,f=-7.7!) USER MOD Single : W 469 THR OG1 : rot 180:sc= 0 USER MOD Single : W 470 HIS : no HD1:sc= -1.88 X(o=-1.9,f=-1.7) USER MOD Single : W 471 THR OG1 : rot 180:sc= 0.0919 USER MOD Single : W 480 HIS :FLIP no HD1:sc= -0.835 F(o=-1.9,f=-0.83) 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 153:sc= 0.64 USER MOD Single : W 486 GLN : amide:sc= -0.839 X(o=-0.84,f=-0.98) USER MOD Single : W 492 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : W 493 GLN :FLIP amide:sc= -0.704 F(o=-1.6!,f=-0.7) USER MOD Single : W 494 ASN :FLIP amide:sc= -0.0675 F(o=-0.81,f=-0.067) USER MOD Single : W 498 THR OG1 : rot 180:sc= -0.253 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY W 450 3.197 -32.506 -16.556 1.00 0.00 N ATOM 2 CA GLY W 450 2.262 -32.199 -15.438 1.00 0.00 C ATOM 3 C GLY W 450 1.732 -30.779 -15.499 1.00 0.00 C ATOM 4 O GLY W 450 2.499 -29.829 -15.648 1.00 0.00 O ATOM 0 HA2 GLY W 450 1.426 -32.897 -15.466 1.00 0.00 H new ATOM 0 HA3 GLY W 450 2.774 -32.352 -14.488 1.00 0.00 H new ATOM 10 N SER W 451 0.416 -30.635 -15.384 1.00 0.00 N ATOM 11 CA SER W 451 -0.216 -29.321 -15.428 1.00 0.00 C ATOM 12 C SER W 451 0.347 -28.410 -14.339 1.00 0.00 C ATOM 13 O SER W 451 0.770 -28.881 -13.283 1.00 0.00 O ATOM 14 CB SER W 451 -1.731 -29.455 -15.263 1.00 0.00 C ATOM 15 OG SER W 451 -2.333 -28.192 -15.037 1.00 0.00 O ATOM 0 H SER W 451 -0.234 -31.412 -15.260 1.00 0.00 H new ATOM 0 HA SER W 451 -0.001 -28.874 -16.399 1.00 0.00 H new ATOM 0 HB2 SER W 451 -2.158 -29.910 -16.156 1.00 0.00 H new ATOM 0 HB3 SER W 451 -1.952 -30.121 -14.429 1.00 0.00 H new ATOM 0 HG SER W 451 -2.722 -27.861 -15.873 1.00 0.00 H new ATOM 21 N PRO W 452 0.359 -27.087 -14.580 1.00 0.00 N ATOM 22 CA PRO W 452 0.872 -26.112 -13.612 1.00 0.00 C ATOM 23 C PRO W 452 0.092 -26.134 -12.302 1.00 0.00 C ATOM 24 O PRO W 452 -1.054 -25.689 -12.242 1.00 0.00 O ATOM 25 CB PRO W 452 0.690 -24.762 -14.317 1.00 0.00 C ATOM 26 CG PRO W 452 0.538 -25.092 -15.762 1.00 0.00 C ATOM 27 CD PRO W 452 -0.125 -26.438 -15.810 1.00 0.00 C ATOM 0 HA PRO W 452 1.905 -26.324 -13.337 1.00 0.00 H new ATOM 0 HB2 PRO W 452 -0.187 -24.236 -13.939 1.00 0.00 H new ATOM 0 HB3 PRO W 452 1.549 -24.112 -14.150 1.00 0.00 H new ATOM 0 HG2 PRO W 452 -0.065 -24.341 -16.273 1.00 0.00 H new ATOM 0 HG3 PRO W 452 1.507 -25.116 -16.261 1.00 0.00 H new ATOM 0 HD2 PRO W 452 -1.212 -26.353 -15.821 1.00 0.00 H new ATOM 0 HD3 PRO W 452 0.160 -26.997 -16.701 1.00 0.00 H new ATOM 35 N VAL W 453 0.720 -26.655 -11.254 1.00 0.00 N ATOM 36 CA VAL W 453 0.086 -26.735 -9.942 1.00 0.00 C ATOM 37 C VAL W 453 1.128 -26.910 -8.843 1.00 0.00 C ATOM 38 O VAL W 453 0.845 -27.485 -7.792 1.00 0.00 O ATOM 39 CB VAL W 453 -0.922 -27.901 -9.867 1.00 0.00 C ATOM 40 CG1 VAL W 453 -2.288 -27.464 -10.376 1.00 0.00 C ATOM 41 CG2 VAL W 453 -0.414 -29.104 -10.649 1.00 0.00 C ATOM 0 H VAL W 453 1.668 -27.029 -11.287 1.00 0.00 H new ATOM 0 HA VAL W 453 -0.449 -25.797 -9.793 1.00 0.00 H new ATOM 0 HB VAL W 453 -1.026 -28.195 -8.823 1.00 0.00 H new ATOM 0 HG11 VAL W 453 -2.984 -28.301 -10.315 1.00 0.00 H new ATOM 0 HG12 VAL W 453 -2.657 -26.640 -9.766 1.00 0.00 H new ATOM 0 HG13 VAL W 453 -2.203 -27.138 -11.413 1.00 0.00 H new ATOM 0 HG21 VAL W 453 -1.140 -29.914 -10.583 1.00 0.00 H new ATOM 0 HG22 VAL W 453 -0.275 -28.826 -11.694 1.00 0.00 H new ATOM 0 HG23 VAL W 453 0.537 -29.434 -10.231 1.00 0.00 H new ATOM 51 N ASP W 454 2.332 -26.410 -9.094 1.00 0.00 N ATOM 52 CA ASP W 454 3.419 -26.508 -8.126 1.00 0.00 C ATOM 53 C ASP W 454 4.306 -25.269 -8.182 1.00 0.00 C ATOM 54 O ASP W 454 5.315 -25.247 -8.887 1.00 0.00 O ATOM 55 CB ASP W 454 4.254 -27.762 -8.393 1.00 0.00 C ATOM 56 CG ASP W 454 4.304 -28.689 -7.194 1.00 0.00 C ATOM 57 OD1 ASP W 454 3.326 -29.434 -6.979 1.00 0.00 O ATOM 58 OD2 ASP W 454 5.323 -28.670 -6.470 1.00 0.00 O ATOM 0 H ASP W 454 2.581 -25.932 -9.960 1.00 0.00 H new ATOM 0 HA ASP W 454 2.983 -26.577 -7.129 1.00 0.00 H new ATOM 0 HB2 ASP W 454 3.837 -28.298 -9.246 1.00 0.00 H new ATOM 0 HB3 ASP W 454 5.268 -27.469 -8.665 1.00 0.00 H new ATOM 63 N SER W 455 3.922 -24.238 -7.437 1.00 0.00 N ATOM 64 CA SER W 455 4.681 -22.994 -7.403 1.00 0.00 C ATOM 65 C SER W 455 4.231 -22.116 -6.237 1.00 0.00 C ATOM 66 O SER W 455 3.654 -22.608 -5.268 1.00 0.00 O ATOM 67 CB SER W 455 4.516 -22.243 -8.726 1.00 0.00 C ATOM 68 OG SER W 455 5.773 -21.882 -9.270 1.00 0.00 O ATOM 0 H SER W 455 3.089 -24.240 -6.848 1.00 0.00 H new ATOM 0 HA SER W 455 5.734 -23.236 -7.261 1.00 0.00 H new ATOM 0 HB2 SER W 455 3.975 -22.868 -9.437 1.00 0.00 H new ATOM 0 HB3 SER W 455 3.915 -21.348 -8.567 1.00 0.00 H new ATOM 0 HG SER W 455 5.639 -21.405 -10.116 1.00 0.00 H new ATOM 74 N ASN W 456 4.495 -20.814 -6.335 1.00 0.00 N ATOM 75 CA ASN W 456 4.112 -19.878 -5.284 1.00 0.00 C ATOM 76 C ASN W 456 3.601 -18.572 -5.880 1.00 0.00 C ATOM 77 O ASN W 456 4.257 -17.535 -5.781 1.00 0.00 O ATOM 78 CB ASN W 456 5.302 -19.600 -4.363 1.00 0.00 C ATOM 79 CG ASN W 456 6.554 -19.231 -5.134 1.00 0.00 C ATOM 80 OD1 ASN W 456 6.702 -19.577 -6.307 1.00 0.00 O ATOM 81 ND2 ASN W 456 7.466 -18.523 -4.479 1.00 0.00 N ATOM 0 H ASN W 456 4.971 -20.386 -7.129 1.00 0.00 H new ATOM 0 HA ASN W 456 3.309 -20.331 -4.703 1.00 0.00 H new ATOM 0 HB2 ASN W 456 5.048 -18.790 -3.679 1.00 0.00 H new ATOM 0 HB3 ASN W 456 5.500 -20.482 -3.753 1.00 0.00 H new ATOM 0 HD21 ASN W 456 8.329 -18.245 -4.947 1.00 0.00 H new ATOM 0 HD22 ASN W 456 7.304 -18.257 -3.508 1.00 0.00 H new ATOM 88 N ASP W 457 2.426 -18.627 -6.498 1.00 0.00 N ATOM 89 CA ASP W 457 1.830 -17.446 -7.110 1.00 0.00 C ATOM 90 C ASP W 457 0.495 -17.107 -6.454 1.00 0.00 C ATOM 91 O ASP W 457 -0.536 -17.697 -6.779 1.00 0.00 O ATOM 92 CB ASP W 457 1.632 -17.670 -8.610 1.00 0.00 C ATOM 93 CG ASP W 457 0.786 -18.892 -8.906 1.00 0.00 C ATOM 94 OD1 ASP W 457 1.079 -19.967 -8.341 1.00 0.00 O ATOM 95 OD2 ASP W 457 -0.168 -18.776 -9.703 1.00 0.00 O ATOM 0 H ASP W 457 1.868 -19.476 -6.588 1.00 0.00 H new ATOM 0 HA ASP W 457 2.510 -16.607 -6.961 1.00 0.00 H new ATOM 0 HB2 ASP W 457 1.159 -16.790 -9.046 1.00 0.00 H new ATOM 0 HB3 ASP W 457 2.605 -17.780 -9.089 1.00 0.00 H new ATOM 100 N LEU W 458 0.523 -16.153 -5.529 1.00 0.00 N ATOM 101 CA LEU W 458 -0.686 -15.734 -4.826 1.00 0.00 C ATOM 102 C LEU W 458 -1.640 -15.012 -5.771 1.00 0.00 C ATOM 103 O LEU W 458 -2.859 -15.160 -5.671 1.00 0.00 O ATOM 104 CB LEU W 458 -0.328 -14.822 -3.652 1.00 0.00 C ATOM 105 CG LEU W 458 -0.366 -15.492 -2.278 1.00 0.00 C ATOM 106 CD1 LEU W 458 0.149 -14.543 -1.207 1.00 0.00 C ATOM 107 CD2 LEU W 458 -1.779 -15.953 -1.950 1.00 0.00 C ATOM 0 H LEU W 458 1.368 -15.656 -5.248 1.00 0.00 H new ATOM 0 HA LEU W 458 -1.183 -16.626 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU W 458 0.672 -14.420 -3.816 1.00 0.00 H new ATOM 0 HB3 LEU W 458 -1.015 -13.976 -3.646 1.00 0.00 H new ATOM 0 HG LEU W 458 0.284 -16.366 -2.302 1.00 0.00 H new ATOM 0 HD11 LEU W 458 0.115 -15.037 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU W 458 1.177 -14.261 -1.434 1.00 0.00 H new ATOM 0 HD13 LEU W 458 -0.475 -13.650 -1.182 1.00 0.00 H new ATOM 0 HD21 LEU W 458 -1.788 -16.428 -0.969 1.00 0.00 H new ATOM 0 HD22 LEU W 458 -2.450 -15.094 -1.944 1.00 0.00 H new ATOM 0 HD23 LEU W 458 -2.112 -16.668 -2.702 1.00 0.00 H new ATOM 119 N GLY W 459 -1.079 -14.230 -6.686 1.00 0.00 N ATOM 120 CA GLY W 459 -1.894 -13.494 -7.635 1.00 0.00 C ATOM 121 C GLY W 459 -1.805 -11.994 -7.432 1.00 0.00 C ATOM 122 O GLY W 459 -0.762 -11.482 -7.029 1.00 0.00 O ATOM 0 H GLY W 459 -0.073 -14.092 -6.788 1.00 0.00 H new ATOM 0 HA2 GLY W 459 -1.578 -13.740 -8.649 1.00 0.00 H new ATOM 0 HA3 GLY W 459 -2.933 -13.810 -7.539 1.00 0.00 H new ATOM 126 N PRO W 460 -2.895 -11.257 -7.709 1.00 0.00 N ATOM 127 CA PRO W 460 -2.929 -9.798 -7.553 1.00 0.00 C ATOM 128 C PRO W 460 -2.793 -9.370 -6.095 1.00 0.00 C ATOM 129 O PRO W 460 -3.705 -8.767 -5.527 1.00 0.00 O ATOM 130 CB PRO W 460 -4.308 -9.400 -8.100 1.00 0.00 C ATOM 131 CG PRO W 460 -4.787 -10.586 -8.867 1.00 0.00 C ATOM 132 CD PRO W 460 -4.177 -11.782 -8.198 1.00 0.00 C ATOM 0 HA PRO W 460 -2.100 -9.318 -8.074 1.00 0.00 H new ATOM 0 HB2 PRO W 460 -4.995 -9.152 -7.291 1.00 0.00 H new ATOM 0 HB3 PRO W 460 -4.238 -8.520 -8.740 1.00 0.00 H new ATOM 0 HG2 PRO W 460 -5.875 -10.645 -8.856 1.00 0.00 H new ATOM 0 HG3 PRO W 460 -4.482 -10.525 -9.912 1.00 0.00 H new ATOM 0 HD2 PRO W 460 -4.800 -12.153 -7.384 1.00 0.00 H new ATOM 0 HD3 PRO W 460 -4.037 -12.609 -8.895 1.00 0.00 H new ATOM 140 N LEU W 461 -1.651 -9.687 -5.493 1.00 0.00 N ATOM 141 CA LEU W 461 -1.397 -9.337 -4.100 1.00 0.00 C ATOM 142 C LEU W 461 -2.438 -9.972 -3.181 1.00 0.00 C ATOM 143 O LEU W 461 -3.479 -10.442 -3.641 1.00 0.00 O ATOM 144 CB LEU W 461 -1.399 -7.818 -3.924 1.00 0.00 C ATOM 145 CG LEU W 461 -0.424 -7.061 -4.828 1.00 0.00 C ATOM 146 CD1 LEU W 461 -0.525 -5.563 -4.586 1.00 0.00 C ATOM 147 CD2 LEU W 461 1.000 -7.546 -4.600 1.00 0.00 C ATOM 0 H LEU W 461 -0.887 -10.186 -5.948 1.00 0.00 H new ATOM 0 HA LEU W 461 -0.415 -9.724 -3.827 1.00 0.00 H new ATOM 0 HB2 LEU W 461 -2.407 -7.447 -4.111 1.00 0.00 H new ATOM 0 HB3 LEU W 461 -1.162 -7.587 -2.885 1.00 0.00 H new ATOM 0 HG LEU W 461 -0.692 -7.259 -5.866 1.00 0.00 H new ATOM 0 HD11 LEU W 461 0.176 -5.041 -5.238 1.00 0.00 H new ATOM 0 HD12 LEU W 461 -1.539 -5.227 -4.801 1.00 0.00 H new ATOM 0 HD13 LEU W 461 -0.284 -5.345 -3.546 1.00 0.00 H new ATOM 0 HD21 LEU W 461 1.680 -6.997 -5.251 1.00 0.00 H new ATOM 0 HD22 LEU W 461 1.279 -7.379 -3.560 1.00 0.00 H new ATOM 0 HD23 LEU W 461 1.062 -8.611 -4.826 1.00 0.00 H new ATOM 159 N PRO W 462 -2.168 -9.998 -1.865 1.00 0.00 N ATOM 160 CA PRO W 462 -3.085 -10.585 -0.882 1.00 0.00 C ATOM 161 C PRO W 462 -4.416 -9.844 -0.812 1.00 0.00 C ATOM 162 O PRO W 462 -4.586 -8.792 -1.429 1.00 0.00 O ATOM 163 CB PRO W 462 -2.335 -10.450 0.449 1.00 0.00 C ATOM 164 CG PRO W 462 -0.912 -10.209 0.075 1.00 0.00 C ATOM 165 CD PRO W 462 -0.953 -9.467 -1.228 1.00 0.00 C ATOM 0 HA PRO W 462 -3.340 -11.613 -1.139 1.00 0.00 H new ATOM 0 HB2 PRO W 462 -2.731 -9.626 1.042 1.00 0.00 H new ATOM 0 HB3 PRO W 462 -2.436 -11.353 1.051 1.00 0.00 H new ATOM 0 HG2 PRO W 462 -0.399 -9.627 0.841 1.00 0.00 H new ATOM 0 HG3 PRO W 462 -0.370 -11.149 -0.027 1.00 0.00 H new ATOM 0 HD2 PRO W 462 -1.013 -8.389 -1.078 1.00 0.00 H new ATOM 0 HD3 PRO W 462 -0.064 -9.657 -1.830 1.00 0.00 H new ATOM 173 N PRO W 463 -5.382 -10.388 -0.053 1.00 0.00 N ATOM 174 CA PRO W 463 -6.707 -9.779 0.101 1.00 0.00 C ATOM 175 C PRO W 463 -6.638 -8.405 0.760 1.00 0.00 C ATOM 176 O PRO W 463 -5.964 -8.226 1.774 1.00 0.00 O ATOM 177 CB PRO W 463 -7.462 -10.764 1.005 1.00 0.00 C ATOM 178 CG PRO W 463 -6.692 -12.037 0.928 1.00 0.00 C ATOM 179 CD PRO W 463 -5.263 -11.639 0.715 1.00 0.00 C ATOM 0 HA PRO W 463 -7.188 -9.615 -0.863 1.00 0.00 H new ATOM 0 HB2 PRO W 463 -7.514 -10.397 2.030 1.00 0.00 H new ATOM 0 HB3 PRO W 463 -8.488 -10.904 0.664 1.00 0.00 H new ATOM 0 HG2 PRO W 463 -6.804 -12.617 1.844 1.00 0.00 H new ATOM 0 HG3 PRO W 463 -7.050 -12.661 0.109 1.00 0.00 H new ATOM 0 HD2 PRO W 463 -4.741 -11.485 1.660 1.00 0.00 H new ATOM 0 HD3 PRO W 463 -4.709 -12.400 0.165 1.00 0.00 H new ATOM 187 N GLY W 464 -7.339 -7.438 0.178 1.00 0.00 N ATOM 188 CA GLY W 464 -7.342 -6.094 0.723 1.00 0.00 C ATOM 189 C GLY W 464 -6.113 -5.289 0.335 1.00 0.00 C ATOM 190 O GLY W 464 -6.020 -4.102 0.648 1.00 0.00 O ATOM 0 H GLY W 464 -7.905 -7.561 -0.661 1.00 0.00 H new ATOM 0 HA2 GLY W 464 -8.234 -5.571 0.379 1.00 0.00 H new ATOM 0 HA3 GLY W 464 -7.404 -6.150 1.810 1.00 0.00 H new ATOM 194 N TRP W 465 -5.165 -5.929 -0.344 1.00 0.00 N ATOM 195 CA TRP W 465 -3.945 -5.254 -0.764 1.00 0.00 C ATOM 196 C TRP W 465 -4.104 -4.660 -2.159 1.00 0.00 C ATOM 197 O TRP W 465 -5.037 -4.998 -2.887 1.00 0.00 O ATOM 198 CB TRP W 465 -2.769 -6.227 -0.733 1.00 0.00 C ATOM 199 CG TRP W 465 -2.183 -6.397 0.629 1.00 0.00 C ATOM 200 CD1 TRP W 465 -2.614 -7.237 1.615 1.00 0.00 C ATOM 201 CD2 TRP W 465 -1.055 -5.699 1.157 1.00 0.00 C ATOM 202 NE1 TRP W 465 -1.810 -7.111 2.720 1.00 0.00 N ATOM 203 CE2 TRP W 465 -0.847 -6.172 2.463 1.00 0.00 C ATOM 204 CE3 TRP W 465 -0.197 -4.720 0.646 1.00 0.00 C ATOM 205 CZ2 TRP W 465 0.183 -5.702 3.266 1.00 0.00 C ATOM 206 CZ3 TRP W 465 0.827 -4.252 1.448 1.00 0.00 C ATOM 207 CH2 TRP W 465 1.010 -4.745 2.744 1.00 0.00 C ATOM 0 H TRP W 465 -5.220 -6.911 -0.614 1.00 0.00 H new ATOM 0 HA TRP W 465 -3.748 -4.438 -0.069 1.00 0.00 H new ATOM 0 HB2 TRP W 465 -3.099 -7.198 -1.103 1.00 0.00 H new ATOM 0 HB3 TRP W 465 -1.994 -5.873 -1.413 1.00 0.00 H new ATOM 0 HD1 TRP W 465 -3.462 -7.902 1.537 1.00 0.00 H new ATOM 0 HE1 TRP W 465 -1.913 -7.632 3.591 1.00 0.00 H new ATOM 0 HE3 TRP W 465 -0.332 -4.337 -0.355 1.00 0.00 H new ATOM 0 HZ2 TRP W 465 0.327 -6.079 4.268 1.00 0.00 H new ATOM 0 HZ3 TRP W 465 1.496 -3.494 1.068 1.00 0.00 H new ATOM 0 HH2 TRP W 465 1.821 -4.362 3.345 1.00 0.00 H new ATOM 218 N GLU W 466 -3.193 -3.762 -2.518 1.00 0.00 N ATOM 219 CA GLU W 466 -3.240 -3.109 -3.819 1.00 0.00 C ATOM 220 C GLU W 466 -1.844 -2.712 -4.291 1.00 0.00 C ATOM 221 O GLU W 466 -1.017 -2.257 -3.503 1.00 0.00 O ATOM 222 CB GLU W 466 -4.127 -1.867 -3.742 1.00 0.00 C ATOM 223 CG GLU W 466 -5.465 -2.027 -4.447 1.00 0.00 C ATOM 224 CD GLU W 466 -5.409 -1.616 -5.904 1.00 0.00 C ATOM 225 OE1 GLU W 466 -4.346 -1.130 -6.344 1.00 0.00 O ATOM 226 OE2 GLU W 466 -6.429 -1.780 -6.607 1.00 0.00 O ATOM 0 H GLU W 466 -2.415 -3.471 -1.927 1.00 0.00 H new ATOM 0 HA GLU W 466 -3.655 -3.816 -4.537 1.00 0.00 H new ATOM 0 HB2 GLU W 466 -4.305 -1.623 -2.695 1.00 0.00 H new ATOM 0 HB3 GLU W 466 -3.594 -1.023 -4.180 1.00 0.00 H new ATOM 0 HG2 GLU W 466 -5.785 -3.067 -4.379 1.00 0.00 H new ATOM 0 HG3 GLU W 466 -6.216 -1.428 -3.933 1.00 0.00 H new ATOM 233 N GLU W 467 -1.596 -2.871 -5.586 1.00 0.00 N ATOM 234 CA GLU W 467 -0.308 -2.510 -6.162 1.00 0.00 C ATOM 235 C GLU W 467 -0.372 -1.106 -6.756 1.00 0.00 C ATOM 236 O GLU W 467 -0.913 -0.908 -7.843 1.00 0.00 O ATOM 237 CB GLU W 467 0.097 -3.518 -7.239 1.00 0.00 C ATOM 238 CG GLU W 467 -0.858 -3.565 -8.420 1.00 0.00 C ATOM 239 CD GLU W 467 -0.703 -4.827 -9.244 1.00 0.00 C ATOM 240 OE1 GLU W 467 0.430 -5.111 -9.690 1.00 0.00 O ATOM 241 OE2 GLU W 467 -1.713 -5.534 -9.444 1.00 0.00 O ATOM 0 H GLU W 467 -2.268 -3.247 -6.255 1.00 0.00 H new ATOM 0 HA GLU W 467 0.442 -2.525 -5.371 1.00 0.00 H new ATOM 0 HB2 GLU W 467 1.095 -3.270 -7.600 1.00 0.00 H new ATOM 0 HB3 GLU W 467 0.157 -4.510 -6.792 1.00 0.00 H new ATOM 0 HG2 GLU W 467 -1.883 -3.496 -8.057 1.00 0.00 H new ATOM 0 HG3 GLU W 467 -0.687 -2.697 -9.056 1.00 0.00 H new ATOM 248 N ARG W 468 0.181 -0.133 -6.039 1.00 0.00 N ATOM 249 CA ARG W 468 0.179 1.249 -6.503 1.00 0.00 C ATOM 250 C ARG W 468 1.570 1.670 -6.963 1.00 0.00 C ATOM 251 O ARG W 468 2.575 1.297 -6.357 1.00 0.00 O ATOM 252 CB ARG W 468 -0.317 2.182 -5.396 1.00 0.00 C ATOM 253 CG ARG W 468 -1.820 2.123 -5.178 1.00 0.00 C ATOM 254 CD ARG W 468 -2.499 3.410 -5.620 1.00 0.00 C ATOM 255 NE ARG W 468 -2.498 3.560 -7.073 1.00 0.00 N ATOM 256 CZ ARG W 468 -2.915 4.656 -7.700 1.00 0.00 C ATOM 257 NH1 ARG W 468 -3.369 5.689 -7.002 1.00 0.00 N ATOM 258 NH2 ARG W 468 -2.878 4.719 -9.024 1.00 0.00 N ATOM 0 H ARG W 468 0.635 -0.276 -5.137 1.00 0.00 H new ATOM 0 HA ARG W 468 -0.499 1.320 -7.354 1.00 0.00 H new ATOM 0 HB2 ARG W 468 0.187 1.926 -4.464 1.00 0.00 H new ATOM 0 HB3 ARG W 468 -0.034 3.206 -5.641 1.00 0.00 H new ATOM 0 HG2 ARG W 468 -2.236 1.282 -5.733 1.00 0.00 H new ATOM 0 HG3 ARG W 468 -2.029 1.944 -4.123 1.00 0.00 H new ATOM 0 HD2 ARG W 468 -3.526 3.421 -5.255 1.00 0.00 H new ATOM 0 HD3 ARG W 468 -1.991 4.262 -5.168 1.00 0.00 H new ATOM 0 HE ARG W 468 -2.159 2.781 -7.638 1.00 0.00 H new ATOM 0 HH11 ARG W 468 -3.398 5.643 -5.983 1.00 0.00 H new ATOM 0 HH12 ARG W 468 -3.689 6.529 -7.484 1.00 0.00 H new ATOM 0 HH21 ARG W 468 -2.529 3.926 -9.563 1.00 0.00 H new ATOM 0 HH22 ARG W 468 -3.198 5.560 -9.504 1.00 0.00 H new ATOM 272 N THR W 469 1.621 2.440 -8.045 1.00 0.00 N ATOM 273 CA THR W 469 2.888 2.905 -8.594 1.00 0.00 C ATOM 274 C THR W 469 3.412 4.119 -7.834 1.00 0.00 C ATOM 275 O THR W 469 2.691 5.095 -7.628 1.00 0.00 O ATOM 276 CB THR W 469 2.750 3.271 -10.083 1.00 0.00 C ATOM 277 OG1 THR W 469 4.036 3.586 -10.632 1.00 0.00 O ATOM 278 CG2 THR W 469 1.813 4.455 -10.263 1.00 0.00 C ATOM 0 H THR W 469 0.798 2.755 -8.559 1.00 0.00 H new ATOM 0 HA THR W 469 3.596 2.083 -8.488 1.00 0.00 H new ATOM 0 HB THR W 469 2.332 2.413 -10.609 1.00 0.00 H new ATOM 0 HG1 THR W 469 3.940 3.816 -11.580 1.00 0.00 H new ATOM 0 HG21 THR W 469 1.731 4.696 -11.323 1.00 0.00 H new ATOM 0 HG22 THR W 469 0.828 4.202 -9.871 1.00 0.00 H new ATOM 0 HG23 THR W 469 2.208 5.317 -9.725 1.00 0.00 H new ATOM 286 N HIS W 470 4.675 4.052 -7.425 1.00 0.00 N ATOM 287 CA HIS W 470 5.303 5.146 -6.692 1.00 0.00 C ATOM 288 C HIS W 470 5.716 6.266 -7.642 1.00 0.00 C ATOM 289 O HIS W 470 5.872 6.047 -8.844 1.00 0.00 O ATOM 290 CB HIS W 470 6.523 4.635 -5.922 1.00 0.00 C ATOM 291 CG HIS W 470 6.985 5.562 -4.842 1.00 0.00 C ATOM 292 ND1 HIS W 470 6.248 5.754 -3.699 1.00 0.00 N ATOM 293 CD2 HIS W 470 8.109 6.317 -4.776 1.00 0.00 C ATOM 294 CE1 HIS W 470 6.933 6.613 -2.966 1.00 0.00 C ATOM 295 NE2 HIS W 470 8.068 6.984 -3.578 1.00 0.00 N ATOM 0 H HIS W 470 5.284 3.251 -7.589 1.00 0.00 H new ATOM 0 HA HIS W 470 4.577 5.544 -5.983 1.00 0.00 H new ATOM 0 HB2 HIS W 470 6.284 3.668 -5.480 1.00 0.00 H new ATOM 0 HB3 HIS W 470 7.342 4.472 -6.623 1.00 0.00 H new ATOM 0 HD2 HIS W 470 8.887 6.381 -5.523 1.00 0.00 H new ATOM 0 HE1 HIS W 470 6.619 6.971 -1.997 1.00 0.00 H new ATOM 0 HE2 HIS W 470 8.766 7.636 -3.221 1.00 0.00 H new ATOM 303 N THR W 471 5.893 7.466 -7.099 1.00 0.00 N ATOM 304 CA THR W 471 6.289 8.619 -7.900 1.00 0.00 C ATOM 305 C THR W 471 7.591 8.354 -8.649 1.00 0.00 C ATOM 306 O THR W 471 7.885 9.004 -9.652 1.00 0.00 O ATOM 307 CB THR W 471 6.458 9.878 -7.029 1.00 0.00 C ATOM 308 OG1 THR W 471 5.733 9.728 -5.803 1.00 0.00 O ATOM 309 CG2 THR W 471 5.968 11.117 -7.766 1.00 0.00 C ATOM 0 H THR W 471 5.768 7.666 -6.107 1.00 0.00 H new ATOM 0 HA THR W 471 5.489 8.789 -8.621 1.00 0.00 H new ATOM 0 HB THR W 471 7.519 10.001 -6.810 1.00 0.00 H new ATOM 0 HG1 THR W 471 5.847 10.532 -5.255 1.00 0.00 H new ATOM 0 HG21 THR W 471 6.098 11.993 -7.131 1.00 0.00 H new ATOM 0 HG22 THR W 471 6.543 11.246 -8.683 1.00 0.00 H new ATOM 0 HG23 THR W 471 4.913 11.000 -8.012 1.00 0.00 H new ATOM 317 N ASP W 472 8.372 7.394 -8.159 1.00 0.00 N ATOM 318 CA ASP W 472 9.642 7.045 -8.785 1.00 0.00 C ATOM 319 C ASP W 472 9.461 5.964 -9.853 1.00 0.00 C ATOM 320 O ASP W 472 10.374 5.696 -10.634 1.00 0.00 O ATOM 321 CB ASP W 472 10.640 6.570 -7.729 1.00 0.00 C ATOM 322 CG ASP W 472 11.275 7.718 -6.970 1.00 0.00 C ATOM 323 OD1 ASP W 472 11.055 8.883 -7.363 1.00 0.00 O ATOM 324 OD2 ASP W 472 11.990 7.453 -5.981 1.00 0.00 O ATOM 0 H ASP W 472 8.146 6.844 -7.330 1.00 0.00 H new ATOM 0 HA ASP W 472 10.029 7.940 -9.271 1.00 0.00 H new ATOM 0 HB2 ASP W 472 10.132 5.910 -7.025 1.00 0.00 H new ATOM 0 HB3 ASP W 472 11.421 5.982 -8.211 1.00 0.00 H new ATOM 329 N GLY W 473 8.283 5.341 -9.881 1.00 0.00 N ATOM 330 CA GLY W 473 8.019 4.299 -10.856 1.00 0.00 C ATOM 331 C GLY W 473 7.940 2.920 -10.228 1.00 0.00 C ATOM 332 O GLY W 473 7.391 1.992 -10.823 1.00 0.00 O ATOM 0 H GLY W 473 7.510 5.540 -9.246 1.00 0.00 H new ATOM 0 HA2 GLY W 473 7.082 4.515 -11.369 1.00 0.00 H new ATOM 0 HA3 GLY W 473 8.805 4.306 -11.612 1.00 0.00 H new ATOM 336 N ARG W 474 8.482 2.784 -9.020 1.00 0.00 N ATOM 337 CA ARG W 474 8.461 1.509 -8.313 1.00 0.00 C ATOM 338 C ARG W 474 7.093 1.268 -7.682 1.00 0.00 C ATOM 339 O ARG W 474 6.618 2.076 -6.885 1.00 0.00 O ATOM 340 CB ARG W 474 9.546 1.481 -7.234 1.00 0.00 C ATOM 341 CG ARG W 474 10.833 0.811 -7.684 1.00 0.00 C ATOM 342 CD ARG W 474 11.674 0.364 -6.499 1.00 0.00 C ATOM 343 NE ARG W 474 12.774 -0.507 -6.903 1.00 0.00 N ATOM 344 CZ ARG W 474 13.774 -0.851 -6.097 1.00 0.00 C ATOM 345 NH1 ARG W 474 13.815 -0.394 -4.853 1.00 0.00 N ATOM 346 NH2 ARG W 474 14.734 -1.654 -6.535 1.00 0.00 N ATOM 0 H ARG W 474 8.940 3.541 -8.512 1.00 0.00 H new ATOM 0 HA ARG W 474 8.658 0.715 -9.034 1.00 0.00 H new ATOM 0 HB2 ARG W 474 9.767 2.503 -6.926 1.00 0.00 H new ATOM 0 HB3 ARG W 474 9.162 0.959 -6.357 1.00 0.00 H new ATOM 0 HG2 ARG W 474 10.597 -0.050 -8.309 1.00 0.00 H new ATOM 0 HG3 ARG W 474 11.408 1.503 -8.299 1.00 0.00 H new ATOM 0 HD2 ARG W 474 12.075 1.240 -5.988 1.00 0.00 H new ATOM 0 HD3 ARG W 474 11.041 -0.161 -5.783 1.00 0.00 H new ATOM 0 HE ARG W 474 12.775 -0.872 -7.856 1.00 0.00 H new ATOM 0 HH11 ARG W 474 13.078 0.223 -4.512 1.00 0.00 H new ATOM 0 HH12 ARG W 474 14.583 -0.660 -4.237 1.00 0.00 H new ATOM 0 HH21 ARG W 474 14.706 -2.008 -7.491 1.00 0.00 H new ATOM 0 HH22 ARG W 474 15.501 -1.917 -5.916 1.00 0.00 H new ATOM 360 N VAL W 475 6.459 0.158 -8.044 1.00 0.00 N ATOM 361 CA VAL W 475 5.144 -0.170 -7.509 1.00 0.00 C ATOM 362 C VAL W 475 5.249 -0.770 -6.106 1.00 0.00 C ATOM 363 O VAL W 475 5.747 -1.881 -5.926 1.00 0.00 O ATOM 364 CB VAL W 475 4.387 -1.144 -8.441 1.00 0.00 C ATOM 365 CG1 VAL W 475 5.269 -2.350 -8.796 1.00 0.00 C ATOM 366 CG2 VAL W 475 3.042 -1.548 -7.816 1.00 0.00 C ATOM 0 H VAL W 475 6.832 -0.526 -8.702 1.00 0.00 H new ATOM 0 HA VAL W 475 4.581 0.762 -7.447 1.00 0.00 H new ATOM 0 HB VAL W 475 4.159 -0.640 -9.380 1.00 0.00 H new ATOM 0 HG11 VAL W 475 4.718 -3.023 -9.452 1.00 0.00 H new ATOM 0 HG12 VAL W 475 6.170 -2.005 -9.304 1.00 0.00 H new ATOM 0 HG13 VAL W 475 5.546 -2.879 -7.884 1.00 0.00 H new ATOM 0 HG21 VAL W 475 2.522 -2.234 -8.485 1.00 0.00 H new ATOM 0 HG22 VAL W 475 3.218 -2.038 -6.859 1.00 0.00 H new ATOM 0 HG23 VAL W 475 2.431 -0.659 -7.661 1.00 0.00 H new ATOM 376 N PHE W 476 4.770 -0.022 -5.115 1.00 0.00 N ATOM 377 CA PHE W 476 4.802 -0.475 -3.728 1.00 0.00 C ATOM 378 C PHE W 476 3.529 -1.240 -3.373 1.00 0.00 C ATOM 379 O PHE W 476 2.625 -1.377 -4.198 1.00 0.00 O ATOM 380 CB PHE W 476 4.983 0.714 -2.784 1.00 0.00 C ATOM 381 CG PHE W 476 3.856 1.704 -2.842 1.00 0.00 C ATOM 382 CD1 PHE W 476 3.850 2.714 -3.791 1.00 0.00 C ATOM 383 CD2 PHE W 476 2.804 1.624 -1.945 1.00 0.00 C ATOM 384 CE1 PHE W 476 2.813 3.626 -3.845 1.00 0.00 C ATOM 385 CE2 PHE W 476 1.765 2.533 -1.993 1.00 0.00 C ATOM 386 CZ PHE W 476 1.769 3.535 -2.944 1.00 0.00 C ATOM 0 H PHE W 476 4.355 0.900 -5.247 1.00 0.00 H new ATOM 0 HA PHE W 476 5.650 -1.150 -3.612 1.00 0.00 H new ATOM 0 HB2 PHE W 476 5.079 0.345 -1.763 1.00 0.00 H new ATOM 0 HB3 PHE W 476 5.915 1.223 -3.028 1.00 0.00 H new ATOM 0 HD1 PHE W 476 4.665 2.789 -4.496 1.00 0.00 H new ATOM 0 HD2 PHE W 476 2.796 0.842 -1.200 1.00 0.00 H new ATOM 0 HE1 PHE W 476 2.818 4.408 -4.590 1.00 0.00 H new ATOM 0 HE2 PHE W 476 0.950 2.460 -1.288 1.00 0.00 H new ATOM 0 HZ PHE W 476 0.957 4.246 -2.983 1.00 0.00 H new ATOM 396 N PHE W 477 3.463 -1.738 -2.141 1.00 0.00 N ATOM 397 CA PHE W 477 2.299 -2.489 -1.679 1.00 0.00 C ATOM 398 C PHE W 477 1.527 -1.714 -0.612 1.00 0.00 C ATOM 399 O PHE W 477 2.108 -0.943 0.152 1.00 0.00 O ATOM 400 CB PHE W 477 2.733 -3.847 -1.123 1.00 0.00 C ATOM 401 CG PHE W 477 3.604 -4.629 -2.064 1.00 0.00 C ATOM 402 CD1 PHE W 477 4.905 -4.227 -2.320 1.00 0.00 C ATOM 403 CD2 PHE W 477 3.122 -5.766 -2.693 1.00 0.00 C ATOM 404 CE1 PHE W 477 5.709 -4.944 -3.184 1.00 0.00 C ATOM 405 CE2 PHE W 477 3.921 -6.487 -3.560 1.00 0.00 C ATOM 406 CZ PHE W 477 5.217 -6.075 -3.806 1.00 0.00 C ATOM 0 H PHE W 477 4.201 -1.635 -1.445 1.00 0.00 H new ATOM 0 HA PHE W 477 1.639 -2.643 -2.533 1.00 0.00 H new ATOM 0 HB2 PHE W 477 3.270 -3.693 -0.187 1.00 0.00 H new ATOM 0 HB3 PHE W 477 1.846 -4.435 -0.888 1.00 0.00 H new ATOM 0 HD1 PHE W 477 5.295 -3.343 -1.838 1.00 0.00 H new ATOM 0 HD2 PHE W 477 2.110 -6.092 -2.503 1.00 0.00 H new ATOM 0 HE1 PHE W 477 6.722 -4.621 -3.373 1.00 0.00 H new ATOM 0 HE2 PHE W 477 3.533 -7.371 -4.044 1.00 0.00 H new ATOM 0 HZ PHE W 477 5.844 -6.636 -4.483 1.00 0.00 H new ATOM 416 N ILE W 478 0.213 -1.928 -0.564 1.00 0.00 N ATOM 417 CA ILE W 478 -0.641 -1.256 0.412 1.00 0.00 C ATOM 418 C ILE W 478 -1.808 -2.147 0.813 1.00 0.00 C ATOM 419 O ILE W 478 -2.422 -2.784 -0.036 1.00 0.00 O ATOM 420 CB ILE W 478 -1.205 0.072 -0.151 1.00 0.00 C ATOM 421 CG1 ILE W 478 -1.957 0.855 0.934 1.00 0.00 C ATOM 422 CG2 ILE W 478 -2.119 -0.201 -1.333 1.00 0.00 C ATOM 423 CD1 ILE W 478 -2.747 2.046 0.405 1.00 0.00 C ATOM 0 H ILE W 478 -0.283 -2.562 -1.190 1.00 0.00 H new ATOM 0 HA ILE W 478 -0.022 -1.043 1.283 1.00 0.00 H new ATOM 0 HB ILE W 478 -0.366 0.680 -0.488 1.00 0.00 H new ATOM 0 HG12 ILE W 478 -2.640 0.179 1.448 1.00 0.00 H new ATOM 0 HG13 ILE W 478 -1.240 1.208 1.675 1.00 0.00 H new ATOM 0 HG21 ILE W 478 -2.508 0.742 -1.718 1.00 0.00 H new ATOM 0 HG22 ILE W 478 -1.558 -0.709 -2.117 1.00 0.00 H new ATOM 0 HG23 ILE W 478 -2.948 -0.832 -1.013 1.00 0.00 H new ATOM 0 HD11 ILE W 478 -3.249 2.546 1.233 1.00 0.00 H new ATOM 0 HD12 ILE W 478 -2.068 2.745 -0.083 1.00 0.00 H new ATOM 0 HD13 ILE W 478 -3.490 1.700 -0.314 1.00 0.00 H new ATOM 435 N ASN W 479 -2.116 -2.183 2.106 1.00 0.00 N ATOM 436 CA ASN W 479 -3.220 -2.999 2.599 1.00 0.00 C ATOM 437 C ASN W 479 -4.482 -2.155 2.783 1.00 0.00 C ATOM 438 O ASN W 479 -4.420 -0.925 2.799 1.00 0.00 O ATOM 439 CB ASN W 479 -2.830 -3.686 3.914 1.00 0.00 C ATOM 440 CG ASN W 479 -2.887 -2.757 5.113 1.00 0.00 C ATOM 441 OD1 ASN W 479 -2.713 -1.546 4.985 1.00 0.00 O ATOM 442 ND2 ASN W 479 -3.133 -3.326 6.287 1.00 0.00 N ATOM 0 H ASN W 479 -1.620 -1.660 2.827 1.00 0.00 H new ATOM 0 HA ASN W 479 -3.436 -3.768 1.857 1.00 0.00 H new ATOM 0 HB2 ASN W 479 -3.495 -4.532 4.086 1.00 0.00 H new ATOM 0 HB3 ASN W 479 -1.821 -4.088 3.821 1.00 0.00 H new ATOM 0 HD21 ASN W 479 -3.184 -2.754 7.130 1.00 0.00 H new ATOM 0 HD22 ASN W 479 -3.271 -4.335 6.346 1.00 0.00 H new ATOM 449 N HIS W 480 -5.626 -2.821 2.922 1.00 0.00 N ATOM 450 CA HIS W 480 -6.896 -2.127 3.104 1.00 0.00 C ATOM 451 C HIS W 480 -7.526 -2.473 4.451 1.00 0.00 C ATOM 452 O HIS W 480 -8.733 -2.321 4.637 1.00 0.00 O ATOM 453 CB HIS W 480 -7.865 -2.484 1.975 1.00 0.00 C ATOM 454 CG HIS W 480 -7.592 -1.758 0.694 1.00 0.00 C ATOM 455 ND1 HIS W 480 -6.408 -1.387 0.147 1.00 0.00 N flip ATOM 456 CD2 HIS W 480 -8.612 -1.361 -0.136 1.00 0.00 C flip ATOM 457 CE1 HIS W 480 -6.698 -0.753 -1.034 1.00 0.00 C flip ATOM 458 NE2 HIS W 480 -8.034 -0.762 -1.161 1.00 0.00 N flip ATOM 0 H HIS W 480 -5.698 -3.838 2.912 1.00 0.00 H new ATOM 0 HA HIS W 480 -6.695 -1.056 3.082 1.00 0.00 H new ATOM 0 HB2 HIS W 480 -7.815 -3.557 1.792 1.00 0.00 H new ATOM 0 HB3 HIS W 480 -8.882 -2.263 2.298 1.00 0.00 H new ATOM 0 HD2 HIS W 480 -9.671 -1.509 0.018 1.00 0.00 H new ATOM 0 HE1 HIS W 480 -5.988 -0.328 -1.728 1.00 0.00 H new ATOM 0 HE2 HIS W 480 -8.539 -0.357 -1.949 1.00 0.00 H new ATOM 466 N ASN W 481 -6.705 -2.937 5.390 1.00 0.00 N ATOM 467 CA ASN W 481 -7.193 -3.299 6.719 1.00 0.00 C ATOM 468 C ASN W 481 -7.043 -2.125 7.677 1.00 0.00 C ATOM 469 O ASN W 481 -7.994 -1.732 8.355 1.00 0.00 O ATOM 470 CB ASN W 481 -6.453 -4.524 7.289 1.00 0.00 C ATOM 471 CG ASN W 481 -5.510 -5.199 6.303 1.00 0.00 C ATOM 472 OD1 ASN W 481 -4.366 -5.508 6.635 1.00 0.00 O ATOM 473 ND2 ASN W 481 -5.987 -5.433 5.085 1.00 0.00 N ATOM 0 H ASN W 481 -5.703 -3.071 5.257 1.00 0.00 H new ATOM 0 HA ASN W 481 -8.247 -3.557 6.615 1.00 0.00 H new ATOM 0 HB2 ASN W 481 -5.883 -4.215 8.165 1.00 0.00 H new ATOM 0 HB3 ASN W 481 -7.189 -5.253 7.628 1.00 0.00 H new ATOM 0 HD21 ASN W 481 -5.399 -5.885 4.385 1.00 0.00 H new ATOM 0 HD22 ASN W 481 -6.942 -5.161 4.850 1.00 0.00 H new ATOM 480 N ILE W 482 -5.840 -1.565 7.723 1.00 0.00 N ATOM 481 CA ILE W 482 -5.553 -0.430 8.587 1.00 0.00 C ATOM 482 C ILE W 482 -4.880 0.690 7.803 1.00 0.00 C ATOM 483 O ILE W 482 -4.167 1.520 8.368 1.00 0.00 O ATOM 484 CB ILE W 482 -4.648 -0.836 9.765 1.00 0.00 C ATOM 485 CG1 ILE W 482 -3.559 -1.797 9.289 1.00 0.00 C ATOM 486 CG2 ILE W 482 -5.473 -1.471 10.875 1.00 0.00 C ATOM 487 CD1 ILE W 482 -2.576 -2.184 10.372 1.00 0.00 C ATOM 0 H ILE W 482 -5.045 -1.882 7.168 1.00 0.00 H new ATOM 0 HA ILE W 482 -6.506 -0.076 8.980 1.00 0.00 H new ATOM 0 HB ILE W 482 -4.170 0.060 10.162 1.00 0.00 H new ATOM 0 HG12 ILE W 482 -4.029 -2.699 8.897 1.00 0.00 H new ATOM 0 HG13 ILE W 482 -3.015 -1.337 8.464 1.00 0.00 H new ATOM 0 HG21 ILE W 482 -4.818 -1.752 11.700 1.00 0.00 H new ATOM 0 HG22 ILE W 482 -6.217 -0.757 11.229 1.00 0.00 H new ATOM 0 HG23 ILE W 482 -5.976 -2.359 10.492 1.00 0.00 H new ATOM 0 HD11 ILE W 482 -1.833 -2.867 9.961 1.00 0.00 H new ATOM 0 HD12 ILE W 482 -2.079 -1.290 10.748 1.00 0.00 H new ATOM 0 HD13 ILE W 482 -3.108 -2.674 11.188 1.00 0.00 H new ATOM 499 N LYS W 483 -5.116 0.709 6.491 1.00 0.00 N ATOM 500 CA LYS W 483 -4.542 1.724 5.613 1.00 0.00 C ATOM 501 C LYS W 483 -3.068 1.970 5.927 1.00 0.00 C ATOM 502 O LYS W 483 -2.720 2.938 6.602 1.00 0.00 O ATOM 503 CB LYS W 483 -5.329 3.030 5.741 1.00 0.00 C ATOM 504 CG LYS W 483 -6.791 2.903 5.341 1.00 0.00 C ATOM 505 CD LYS W 483 -7.557 1.997 6.292 1.00 0.00 C ATOM 506 CE LYS W 483 -8.962 2.517 6.547 1.00 0.00 C ATOM 507 NZ LYS W 483 -9.995 1.677 5.881 1.00 0.00 N ATOM 0 H LYS W 483 -5.705 0.027 6.012 1.00 0.00 H new ATOM 0 HA LYS W 483 -4.608 1.357 4.589 1.00 0.00 H new ATOM 0 HB2 LYS W 483 -5.272 3.379 6.772 1.00 0.00 H new ATOM 0 HB3 LYS W 483 -4.856 3.791 5.121 1.00 0.00 H new ATOM 0 HG2 LYS W 483 -7.252 3.891 5.328 1.00 0.00 H new ATOM 0 HG3 LYS W 483 -6.858 2.507 4.328 1.00 0.00 H new ATOM 0 HD2 LYS W 483 -7.610 0.992 5.874 1.00 0.00 H new ATOM 0 HD3 LYS W 483 -7.019 1.922 7.237 1.00 0.00 H new ATOM 0 HE2 LYS W 483 -9.151 2.541 7.620 1.00 0.00 H new ATOM 0 HE3 LYS W 483 -9.040 3.543 6.186 1.00 0.00 H new ATOM 0 HZ1 LYS W 483 -10.939 2.065 6.080 1.00 0.00 H new ATOM 0 HZ2 LYS W 483 -9.831 1.674 4.854 1.00 0.00 H new ATOM 0 HZ3 LYS W 483 -9.938 0.704 6.244 1.00 0.00 H new ATOM 521 N LYS W 484 -2.206 1.086 5.431 1.00 0.00 N ATOM 522 CA LYS W 484 -0.771 1.210 5.659 1.00 0.00 C ATOM 523 C LYS W 484 0.021 0.597 4.509 1.00 0.00 C ATOM 524 O LYS W 484 -0.136 -0.583 4.192 1.00 0.00 O ATOM 525 CB LYS W 484 -0.386 0.536 6.977 1.00 0.00 C ATOM 526 CG LYS W 484 0.501 1.397 7.862 1.00 0.00 C ATOM 527 CD LYS W 484 0.788 0.719 9.192 1.00 0.00 C ATOM 528 CE LYS W 484 2.078 1.234 9.811 1.00 0.00 C ATOM 529 NZ LYS W 484 2.250 0.761 11.213 1.00 0.00 N ATOM 0 H LYS W 484 -2.476 0.278 4.870 1.00 0.00 H new ATOM 0 HA LYS W 484 -0.527 2.271 5.715 1.00 0.00 H new ATOM 0 HB2 LYS W 484 -1.294 0.281 7.524 1.00 0.00 H new ATOM 0 HB3 LYS W 484 0.129 -0.400 6.760 1.00 0.00 H new ATOM 0 HG2 LYS W 484 1.440 1.603 7.348 1.00 0.00 H new ATOM 0 HG3 LYS W 484 0.017 2.358 8.039 1.00 0.00 H new ATOM 0 HD2 LYS W 484 -0.041 0.894 9.877 1.00 0.00 H new ATOM 0 HD3 LYS W 484 0.858 -0.359 9.045 1.00 0.00 H new ATOM 0 HE2 LYS W 484 2.926 0.904 9.210 1.00 0.00 H new ATOM 0 HE3 LYS W 484 2.079 2.324 9.793 1.00 0.00 H new ATOM 0 HZ1 LYS W 484 3.141 1.134 11.598 1.00 0.00 H new ATOM 0 HZ2 LYS W 484 1.455 1.097 11.793 1.00 0.00 H new ATOM 0 HZ3 LYS W 484 2.275 -0.279 11.228 1.00 0.00 H new ATOM 543 N THR W 485 0.874 1.405 3.889 1.00 0.00 N ATOM 544 CA THR W 485 1.696 0.944 2.775 1.00 0.00 C ATOM 545 C THR W 485 3.086 0.534 3.250 1.00 0.00 C ATOM 546 O THR W 485 3.493 0.866 4.364 1.00 0.00 O ATOM 547 CB THR W 485 1.834 2.028 1.687 1.00 0.00 C ATOM 548 OG1 THR W 485 2.918 1.703 0.807 1.00 0.00 O ATOM 549 CG2 THR W 485 2.075 3.397 2.307 1.00 0.00 C ATOM 0 H THR W 485 1.015 2.384 4.139 1.00 0.00 H new ATOM 0 HA THR W 485 1.191 0.078 2.348 1.00 0.00 H new ATOM 0 HB THR W 485 0.902 2.062 1.123 1.00 0.00 H new ATOM 0 HG1 THR W 485 2.754 2.099 -0.074 1.00 0.00 H new ATOM 0 HG21 THR W 485 2.169 4.143 1.517 1.00 0.00 H new ATOM 0 HG22 THR W 485 1.237 3.656 2.954 1.00 0.00 H new ATOM 0 HG23 THR W 485 2.993 3.374 2.895 1.00 0.00 H new ATOM 557 N GLN W 486 3.809 -0.192 2.402 1.00 0.00 N ATOM 558 CA GLN W 486 5.151 -0.646 2.744 1.00 0.00 C ATOM 559 C GLN W 486 5.951 -0.983 1.489 1.00 0.00 C ATOM 560 O GLN W 486 5.410 -1.520 0.521 1.00 0.00 O ATOM 561 CB GLN W 486 5.073 -1.873 3.653 1.00 0.00 C ATOM 562 CG GLN W 486 4.137 -2.950 3.132 1.00 0.00 C ATOM 563 CD GLN W 486 4.572 -4.343 3.534 1.00 0.00 C ATOM 564 OE1 GLN W 486 4.384 -4.761 4.676 1.00 0.00 O ATOM 565 NE2 GLN W 486 5.162 -5.071 2.594 1.00 0.00 N ATOM 0 H GLN W 486 3.489 -0.477 1.477 1.00 0.00 H new ATOM 0 HA GLN W 486 5.659 0.162 3.269 1.00 0.00 H new ATOM 0 HB2 GLN W 486 6.072 -2.295 3.769 1.00 0.00 H new ATOM 0 HB3 GLN W 486 4.742 -1.562 4.644 1.00 0.00 H new ATOM 0 HG2 GLN W 486 3.131 -2.765 3.508 1.00 0.00 H new ATOM 0 HG3 GLN W 486 4.087 -2.888 2.045 1.00 0.00 H new ATOM 0 HE21 GLN W 486 5.298 -4.685 1.660 1.00 0.00 H new ATOM 0 HE22 GLN W 486 5.480 -6.017 2.806 1.00 0.00 H new ATOM 574 N TRP W 487 7.242 -0.666 1.514 1.00 0.00 N ATOM 575 CA TRP W 487 8.120 -0.937 0.382 1.00 0.00 C ATOM 576 C TRP W 487 8.405 -2.431 0.262 1.00 0.00 C ATOM 577 O TRP W 487 8.520 -2.966 -0.842 1.00 0.00 O ATOM 578 CB TRP W 487 9.435 -0.168 0.534 1.00 0.00 C ATOM 579 CG TRP W 487 9.409 1.187 -0.106 1.00 0.00 C ATOM 580 CD1 TRP W 487 9.671 2.384 0.497 1.00 0.00 C ATOM 581 CD2 TRP W 487 9.105 1.483 -1.474 1.00 0.00 C ATOM 582 NE1 TRP W 487 9.549 3.407 -0.413 1.00 0.00 N ATOM 583 CE2 TRP W 487 9.203 2.880 -1.630 1.00 0.00 C ATOM 584 CE3 TRP W 487 8.762 0.704 -2.582 1.00 0.00 C ATOM 585 CZ2 TRP W 487 8.968 3.510 -2.849 1.00 0.00 C ATOM 586 CZ3 TRP W 487 8.529 1.331 -3.791 1.00 0.00 C ATOM 587 CH2 TRP W 487 8.634 2.722 -3.916 1.00 0.00 C ATOM 0 H TRP W 487 7.703 -0.221 2.307 1.00 0.00 H new ATOM 0 HA TRP W 487 7.615 -0.606 -0.525 1.00 0.00 H new ATOM 0 HB2 TRP W 487 9.662 -0.057 1.594 1.00 0.00 H new ATOM 0 HB3 TRP W 487 10.243 -0.754 0.095 1.00 0.00 H new ATOM 0 HD1 TRP W 487 9.935 2.509 1.537 1.00 0.00 H new ATOM 0 HE1 TRP W 487 9.693 4.397 -0.215 1.00 0.00 H new ATOM 0 HE3 TRP W 487 8.680 -0.369 -2.495 1.00 0.00 H new ATOM 0 HZ2 TRP W 487 9.047 4.583 -2.949 1.00 0.00 H new ATOM 0 HZ3 TRP W 487 8.262 0.739 -4.654 1.00 0.00 H new ATOM 0 HH2 TRP W 487 8.447 3.182 -4.875 1.00 0.00 H new ATOM 598 N GLU W 488 8.520 -3.097 1.406 1.00 0.00 N ATOM 599 CA GLU W 488 8.794 -4.530 1.439 1.00 0.00 C ATOM 600 C GLU W 488 7.670 -5.321 0.776 1.00 0.00 C ATOM 601 O GLU W 488 6.607 -4.777 0.476 1.00 0.00 O ATOM 602 CB GLU W 488 8.978 -4.999 2.884 1.00 0.00 C ATOM 603 CG GLU W 488 10.392 -5.461 3.198 1.00 0.00 C ATOM 604 CD GLU W 488 10.760 -6.743 2.478 1.00 0.00 C ATOM 605 OE1 GLU W 488 9.915 -7.662 2.429 1.00 0.00 O ATOM 606 OE2 GLU W 488 11.895 -6.829 1.961 1.00 0.00 O ATOM 0 H GLU W 488 8.427 -2.666 2.326 1.00 0.00 H new ATOM 0 HA GLU W 488 9.713 -4.710 0.882 1.00 0.00 H new ATOM 0 HB2 GLU W 488 8.713 -4.185 3.558 1.00 0.00 H new ATOM 0 HB3 GLU W 488 8.285 -5.816 3.083 1.00 0.00 H new ATOM 0 HG2 GLU W 488 11.097 -4.677 2.920 1.00 0.00 H new ATOM 0 HG3 GLU W 488 10.491 -5.611 4.273 1.00 0.00 H new ATOM 613 N ASP W 489 7.913 -6.609 0.555 1.00 0.00 N ATOM 614 CA ASP W 489 6.924 -7.482 -0.068 1.00 0.00 C ATOM 615 C ASP W 489 6.184 -8.303 0.989 1.00 0.00 C ATOM 616 O ASP W 489 6.781 -9.155 1.645 1.00 0.00 O ATOM 617 CB ASP W 489 7.601 -8.419 -1.070 1.00 0.00 C ATOM 618 CG ASP W 489 8.503 -7.678 -2.038 1.00 0.00 C ATOM 619 OD1 ASP W 489 8.472 -6.430 -2.041 1.00 0.00 O ATOM 620 OD2 ASP W 489 9.240 -8.348 -2.792 1.00 0.00 O ATOM 0 H ASP W 489 8.788 -7.072 0.799 1.00 0.00 H new ATOM 0 HA ASP W 489 6.202 -6.857 -0.593 1.00 0.00 H new ATOM 0 HB2 ASP W 489 8.186 -9.163 -0.529 1.00 0.00 H new ATOM 0 HB3 ASP W 489 6.838 -8.960 -1.630 1.00 0.00 H new ATOM 625 N PRO W 490 4.874 -8.057 1.176 1.00 0.00 N ATOM 626 CA PRO W 490 4.075 -8.783 2.165 1.00 0.00 C ATOM 627 C PRO W 490 3.675 -10.178 1.691 1.00 0.00 C ATOM 628 O PRO W 490 3.655 -11.126 2.475 1.00 0.00 O ATOM 629 CB PRO W 490 2.842 -7.897 2.331 1.00 0.00 C ATOM 630 CG PRO W 490 2.687 -7.206 1.019 1.00 0.00 C ATOM 631 CD PRO W 490 4.073 -7.055 0.445 1.00 0.00 C ATOM 0 HA PRO W 490 4.627 -8.954 3.089 1.00 0.00 H new ATOM 0 HB2 PRO W 490 1.959 -8.489 2.572 1.00 0.00 H new ATOM 0 HB3 PRO W 490 2.976 -7.181 3.141 1.00 0.00 H new ATOM 0 HG2 PRO W 490 2.051 -7.785 0.349 1.00 0.00 H new ATOM 0 HG3 PRO W 490 2.213 -6.233 1.147 1.00 0.00 H new ATOM 0 HD2 PRO W 490 4.083 -7.242 -0.629 1.00 0.00 H new ATOM 0 HD3 PRO W 490 4.460 -6.047 0.596 1.00 0.00 H new ATOM 639 N ARG W 491 3.355 -10.297 0.406 1.00 0.00 N ATOM 640 CA ARG W 491 2.954 -11.579 -0.166 1.00 0.00 C ATOM 641 C ARG W 491 4.155 -12.503 -0.340 1.00 0.00 C ATOM 642 O ARG W 491 4.013 -13.726 -0.348 1.00 0.00 O ATOM 643 CB ARG W 491 2.260 -11.368 -1.512 1.00 0.00 C ATOM 644 CG ARG W 491 2.968 -10.366 -2.411 1.00 0.00 C ATOM 645 CD ARG W 491 2.586 -10.561 -3.869 1.00 0.00 C ATOM 646 NE ARG W 491 2.875 -11.914 -4.334 1.00 0.00 N ATOM 647 CZ ARG W 491 2.411 -12.416 -5.474 1.00 0.00 C ATOM 648 NH1 ARG W 491 1.644 -11.675 -6.263 1.00 0.00 N ATOM 649 NH2 ARG W 491 2.715 -13.656 -5.827 1.00 0.00 N ATOM 0 H ARG W 491 3.365 -9.523 -0.258 1.00 0.00 H new ATOM 0 HA ARG W 491 2.256 -12.050 0.526 1.00 0.00 H new ATOM 0 HB2 ARG W 491 2.192 -12.324 -2.030 1.00 0.00 H new ATOM 0 HB3 ARG W 491 1.239 -11.028 -1.336 1.00 0.00 H new ATOM 0 HG2 ARG W 491 2.714 -9.353 -2.099 1.00 0.00 H new ATOM 0 HG3 ARG W 491 4.047 -10.473 -2.299 1.00 0.00 H new ATOM 0 HD2 ARG W 491 1.524 -10.353 -3.996 1.00 0.00 H new ATOM 0 HD3 ARG W 491 3.127 -9.843 -4.485 1.00 0.00 H new ATOM 0 HE ARG W 491 3.466 -12.507 -3.752 1.00 0.00 H new ATOM 0 HH11 ARG W 491 1.410 -10.719 -5.995 1.00 0.00 H new ATOM 0 HH12 ARG W 491 1.288 -12.061 -7.138 1.00 0.00 H new ATOM 0 HH21 ARG W 491 3.306 -14.228 -5.224 1.00 0.00 H new ATOM 0 HH22 ARG W 491 2.358 -14.039 -6.702 1.00 0.00 H new ATOM 663 N MET W 492 5.337 -11.912 -0.475 1.00 0.00 N ATOM 664 CA MET W 492 6.565 -12.684 -0.648 1.00 0.00 C ATOM 665 C MET W 492 7.193 -13.048 0.698 1.00 0.00 C ATOM 666 O MET W 492 8.369 -13.404 0.763 1.00 0.00 O ATOM 667 CB MET W 492 7.567 -11.896 -1.493 1.00 0.00 C ATOM 668 CG MET W 492 8.569 -12.775 -2.226 1.00 0.00 C ATOM 669 SD MET W 492 8.930 -12.176 -3.888 1.00 0.00 S ATOM 670 CE MET W 492 10.716 -12.309 -3.916 1.00 0.00 C ATOM 0 H MET W 492 5.472 -10.901 -0.468 1.00 0.00 H new ATOM 0 HA MET W 492 6.306 -13.610 -1.161 1.00 0.00 H new ATOM 0 HB2 MET W 492 7.022 -11.295 -2.221 1.00 0.00 H new ATOM 0 HB3 MET W 492 8.108 -11.203 -0.848 1.00 0.00 H new ATOM 0 HG2 MET W 492 9.494 -12.822 -1.652 1.00 0.00 H new ATOM 0 HG3 MET W 492 8.179 -13.791 -2.287 1.00 0.00 H new ATOM 0 HE1 MET W 492 11.091 -11.974 -4.883 1.00 0.00 H new ATOM 0 HE2 MET W 492 11.140 -11.687 -3.127 1.00 0.00 H new ATOM 0 HE3 MET W 492 11.006 -13.347 -3.755 1.00 0.00 H new ATOM 680 N GLN W 493 6.409 -12.957 1.770 1.00 0.00 N ATOM 681 CA GLN W 493 6.901 -13.277 3.103 1.00 0.00 C ATOM 682 C GLN W 493 6.042 -14.352 3.761 1.00 0.00 C ATOM 683 O GLN W 493 5.520 -14.158 4.860 1.00 0.00 O ATOM 684 CB GLN W 493 6.919 -12.020 3.974 1.00 0.00 C ATOM 685 CG GLN W 493 7.549 -12.234 5.340 1.00 0.00 C ATOM 686 CD GLN W 493 8.849 -13.012 5.267 1.00 0.00 C ATOM 687 OE1 GLN W 493 9.634 -12.758 4.227 1.00 0.00 O flip ATOM 688 NE2 GLN W 493 9.143 -13.833 6.137 1.00 0.00 N flip ATOM 0 H GLN W 493 5.432 -12.665 1.739 1.00 0.00 H new ATOM 0 HA GLN W 493 7.916 -13.662 3.005 1.00 0.00 H new ATOM 0 HB2 GLN W 493 7.464 -11.234 3.451 1.00 0.00 H new ATOM 0 HB3 GLN W 493 5.897 -11.665 4.106 1.00 0.00 H new ATOM 0 HG2 GLN W 493 7.735 -11.266 5.806 1.00 0.00 H new ATOM 0 HG3 GLN W 493 6.846 -12.767 5.981 1.00 0.00 H new ATOM 0 HE21 GLN W 493 8.509 -13.996 6.919 1.00 0.00 H new ATOM 0 HE22 GLN W 493 10.020 -14.350 6.075 1.00 0.00 H new ATOM 697 N ASN W 494 5.901 -15.489 3.086 1.00 0.00 N ATOM 698 CA ASN W 494 5.107 -16.595 3.610 1.00 0.00 C ATOM 699 C ASN W 494 5.429 -17.892 2.876 1.00 0.00 C ATOM 700 O ASN W 494 5.617 -18.937 3.498 1.00 0.00 O ATOM 701 CB ASN W 494 3.614 -16.285 3.490 1.00 0.00 C ATOM 702 CG ASN W 494 3.262 -15.634 2.168 1.00 0.00 C ATOM 703 OD1 ASN W 494 2.909 -16.449 1.181 1.00 0.00 O flip ATOM 704 ND2 ASN W 494 3.305 -14.410 2.035 1.00 0.00 N flip ATOM 0 H ASN W 494 6.326 -15.668 2.176 1.00 0.00 H new ATOM 0 HA ASN W 494 5.360 -16.721 4.663 1.00 0.00 H new ATOM 0 HB2 ASN W 494 3.044 -17.208 3.600 1.00 0.00 H new ATOM 0 HB3 ASN W 494 3.316 -15.627 4.306 1.00 0.00 H new ATOM 0 HD21 ASN W 494 3.582 -13.821 2.820 1.00 0.00 H new ATOM 0 HD22 ASN W 494 3.064 -13.986 1.139 1.00 0.00 H new ATOM 711 N VAL W 495 5.491 -17.816 1.548 1.00 0.00 N ATOM 712 CA VAL W 495 5.792 -18.981 0.717 1.00 0.00 C ATOM 713 C VAL W 495 5.045 -20.225 1.194 1.00 0.00 C ATOM 714 O VAL W 495 5.661 -21.217 1.584 1.00 0.00 O ATOM 715 CB VAL W 495 7.302 -19.283 0.693 1.00 0.00 C ATOM 716 CG1 VAL W 495 8.052 -18.210 -0.081 1.00 0.00 C ATOM 717 CG2 VAL W 495 7.848 -19.408 2.108 1.00 0.00 C ATOM 0 H VAL W 495 5.336 -16.956 1.022 1.00 0.00 H new ATOM 0 HA VAL W 495 5.459 -18.732 -0.291 1.00 0.00 H new ATOM 0 HB VAL W 495 7.451 -20.236 0.185 1.00 0.00 H new ATOM 0 HG11 VAL W 495 9.117 -18.442 -0.086 1.00 0.00 H new ATOM 0 HG12 VAL W 495 7.683 -18.176 -1.106 1.00 0.00 H new ATOM 0 HG13 VAL W 495 7.894 -17.242 0.394 1.00 0.00 H new ATOM 0 HG21 VAL W 495 8.916 -19.621 2.068 1.00 0.00 H new ATOM 0 HG22 VAL W 495 7.684 -18.474 2.645 1.00 0.00 H new ATOM 0 HG23 VAL W 495 7.335 -20.219 2.626 1.00 0.00 H new ATOM 727 N ALA W 496 3.713 -20.163 1.156 1.00 0.00 N ATOM 728 CA ALA W 496 2.864 -21.281 1.579 1.00 0.00 C ATOM 729 C ALA W 496 3.425 -21.995 2.808 1.00 0.00 C ATOM 730 O ALA W 496 4.279 -22.874 2.691 1.00 0.00 O ATOM 731 CB ALA W 496 2.690 -22.265 0.434 1.00 0.00 C ATOM 0 H ALA W 496 3.195 -19.345 0.835 1.00 0.00 H new ATOM 0 HA ALA W 496 1.893 -20.870 1.856 1.00 0.00 H new ATOM 0 HB1 ALA W 496 2.058 -23.092 0.758 1.00 0.00 H new ATOM 0 HB2 ALA W 496 2.222 -21.760 -0.412 1.00 0.00 H new ATOM 0 HB3 ALA W 496 3.665 -22.649 0.133 1.00 0.00 H new ATOM 737 N ILE W 497 2.938 -21.613 3.983 1.00 0.00 N ATOM 738 CA ILE W 497 3.390 -22.216 5.231 1.00 0.00 C ATOM 739 C ILE W 497 2.674 -23.537 5.496 1.00 0.00 C ATOM 740 O ILE W 497 3.216 -24.427 6.150 1.00 0.00 O ATOM 741 CB ILE W 497 3.155 -21.276 6.427 1.00 0.00 C ATOM 742 CG1 ILE W 497 1.670 -20.930 6.549 1.00 0.00 C ATOM 743 CG2 ILE W 497 3.988 -20.011 6.278 1.00 0.00 C ATOM 744 CD1 ILE W 497 1.332 -20.156 7.807 1.00 0.00 C ATOM 0 H ILE W 497 2.230 -20.888 4.097 1.00 0.00 H new ATOM 0 HA ILE W 497 4.459 -22.398 5.122 1.00 0.00 H new ATOM 0 HB ILE W 497 3.465 -21.788 7.338 1.00 0.00 H new ATOM 0 HG12 ILE W 497 1.369 -20.345 5.680 1.00 0.00 H new ATOM 0 HG13 ILE W 497 1.088 -21.851 6.531 1.00 0.00 H new ATOM 0 HG21 ILE W 497 3.811 -19.356 7.131 1.00 0.00 H new ATOM 0 HG22 ILE W 497 5.045 -20.274 6.236 1.00 0.00 H new ATOM 0 HG23 ILE W 497 3.705 -19.495 5.360 1.00 0.00 H new ATOM 0 HD11 ILE W 497 0.263 -19.945 7.828 1.00 0.00 H new ATOM 0 HD12 ILE W 497 1.602 -20.748 8.682 1.00 0.00 H new ATOM 0 HD13 ILE W 497 1.887 -19.218 7.817 1.00 0.00 H new ATOM 756 N THR W 498 1.453 -23.656 4.987 1.00 0.00 N ATOM 757 CA THR W 498 0.663 -24.867 5.172 1.00 0.00 C ATOM 758 C THR W 498 0.643 -25.712 3.902 1.00 0.00 C ATOM 759 O THR W 498 0.431 -25.195 2.805 1.00 0.00 O ATOM 760 CB THR W 498 -0.786 -24.535 5.575 1.00 0.00 C ATOM 761 OG1 THR W 498 -0.833 -23.264 6.233 1.00 0.00 O ATOM 762 CG2 THR W 498 -1.351 -25.608 6.494 1.00 0.00 C ATOM 0 H THR W 498 0.989 -22.929 4.443 1.00 0.00 H new ATOM 0 HA THR W 498 1.137 -25.433 5.974 1.00 0.00 H new ATOM 0 HB THR W 498 -1.392 -24.498 4.670 1.00 0.00 H new ATOM 0 HG1 THR W 498 -1.758 -23.060 6.484 1.00 0.00 H new ATOM 0 HG21 THR W 498 -2.375 -25.352 6.765 1.00 0.00 H new ATOM 0 HG22 THR W 498 -1.341 -26.569 5.980 1.00 0.00 H new ATOM 0 HG23 THR W 498 -0.742 -25.672 7.396 1.00 0.00 H new ATOM 770 N GLY W 499 0.864 -27.013 4.059 1.00 0.00 N ATOM 771 CA GLY W 499 0.867 -27.908 2.917 1.00 0.00 C ATOM 772 C GLY W 499 1.940 -28.973 3.015 1.00 0.00 C ATOM 773 O GLY W 499 2.138 -29.709 2.027 1.00 0.00 O ATOM 774 OXT GLY W 499 2.585 -29.069 4.081 1.00 0.00 O ATOM 0 H GLY W 499 1.041 -27.463 4.957 1.00 0.00 H new ATOM 0 HA2 GLY W 499 -0.109 -28.387 2.833 1.00 0.00 H new ATOM 0 HA3 GLY W 499 1.017 -27.329 2.006 1.00 0.00 H new TER 778 GLY W 499 ATOM 779 N GLY B 605 17.209 5.248 -7.935 1.00 0.00 N ATOM 780 CA GLY B 605 18.109 6.304 -7.395 1.00 0.00 C ATOM 781 C GLY B 605 19.267 5.731 -6.602 1.00 0.00 C ATOM 782 O GLY B 605 19.066 5.102 -5.562 1.00 0.00 O ATOM 0 HA2 GLY B 605 18.498 6.902 -8.219 1.00 0.00 H new ATOM 0 HA3 GLY B 605 17.534 6.976 -6.758 1.00 0.00 H new ATOM 788 N SER B 606 20.482 5.947 -7.093 1.00 0.00 N ATOM 789 CA SER B 606 21.679 5.449 -6.425 1.00 0.00 C ATOM 790 C SER B 606 21.985 6.266 -5.175 1.00 0.00 C ATOM 791 O SER B 606 22.494 5.740 -4.186 1.00 0.00 O ATOM 792 CB SER B 606 22.873 5.486 -7.379 1.00 0.00 C ATOM 793 OG SER B 606 22.797 4.443 -8.335 1.00 0.00 O ATOM 0 H SER B 606 20.664 6.465 -7.953 1.00 0.00 H new ATOM 0 HA SER B 606 21.495 4.417 -6.125 1.00 0.00 H new ATOM 0 HB2 SER B 606 22.905 6.449 -7.889 1.00 0.00 H new ATOM 0 HB3 SER B 606 23.799 5.396 -6.811 1.00 0.00 H new ATOM 0 HG SER B 606 23.572 4.491 -8.934 1.00 0.00 H new ATOM 799 N THR B 607 21.670 7.557 -5.226 1.00 0.00 N ATOM 800 CA THR B 607 21.913 8.447 -4.098 1.00 0.00 C ATOM 801 C THR B 607 20.757 8.402 -3.103 1.00 0.00 C ATOM 802 O THR B 607 20.966 8.432 -1.890 1.00 0.00 O ATOM 803 CB THR B 607 22.119 9.901 -4.563 1.00 0.00 C ATOM 804 OG1 THR B 607 21.666 10.053 -5.914 1.00 0.00 O ATOM 805 CG2 THR B 607 23.585 10.295 -4.469 1.00 0.00 C ATOM 0 H THR B 607 21.246 8.009 -6.036 1.00 0.00 H new ATOM 0 HA THR B 607 22.823 8.097 -3.610 1.00 0.00 H new ATOM 0 HB THR B 607 21.539 10.554 -3.910 1.00 0.00 H new ATOM 0 HG1 THR B 607 21.799 10.980 -6.201 1.00 0.00 H new ATOM 0 HG21 THR B 607 23.707 11.326 -4.802 1.00 0.00 H new ATOM 0 HG22 THR B 607 23.920 10.206 -3.436 1.00 0.00 H new ATOM 0 HG23 THR B 607 24.180 9.636 -5.102 1.00 0.00 H new ATOM 813 N LEU B 608 19.538 8.327 -3.626 1.00 0.00 N ATOM 814 CA LEU B 608 18.347 8.276 -2.785 1.00 0.00 C ATOM 815 C LEU B 608 17.600 6.960 -2.983 1.00 0.00 C ATOM 816 O LEU B 608 16.463 6.947 -3.459 1.00 0.00 O ATOM 817 CB LEU B 608 17.424 9.454 -3.099 1.00 0.00 C ATOM 818 CG LEU B 608 16.109 9.470 -2.320 1.00 0.00 C ATOM 819 CD1 LEU B 608 16.036 10.697 -1.423 1.00 0.00 C ATOM 820 CD2 LEU B 608 14.923 9.435 -3.273 1.00 0.00 C ATOM 0 H LEU B 608 19.348 8.300 -4.628 1.00 0.00 H new ATOM 0 HA LEU B 608 18.663 8.341 -1.744 1.00 0.00 H new ATOM 0 HB2 LEU B 608 17.961 10.381 -2.896 1.00 0.00 H new ATOM 0 HB3 LEU B 608 17.197 9.444 -4.165 1.00 0.00 H new ATOM 0 HG LEU B 608 16.071 8.580 -1.691 1.00 0.00 H new ATOM 0 HD11 LEU B 608 15.093 10.692 -0.876 1.00 0.00 H new ATOM 0 HD12 LEU B 608 16.866 10.681 -0.716 1.00 0.00 H new ATOM 0 HD13 LEU B 608 16.097 11.598 -2.033 1.00 0.00 H new ATOM 0 HD21 LEU B 608 13.996 9.447 -2.700 1.00 0.00 H new ATOM 0 HD22 LEU B 608 14.956 10.306 -3.928 1.00 0.00 H new ATOM 0 HD23 LEU B 608 14.966 8.527 -3.875 1.00 0.00 H new ATOM 832 N PRO B 609 18.230 5.830 -2.622 1.00 0.00 N ATOM 833 CA PRO B 609 17.621 4.506 -2.764 1.00 0.00 C ATOM 834 C PRO B 609 16.524 4.255 -1.733 1.00 0.00 C ATOM 835 O PRO B 609 15.552 3.552 -2.007 1.00 0.00 O ATOM 836 CB PRO B 609 18.794 3.553 -2.540 1.00 0.00 C ATOM 837 CG PRO B 609 19.727 4.308 -1.658 1.00 0.00 C ATOM 838 CD PRO B 609 19.589 5.755 -2.049 1.00 0.00 C ATOM 0 HA PRO B 609 17.132 4.384 -3.731 1.00 0.00 H new ATOM 0 HB2 PRO B 609 18.467 2.625 -2.070 1.00 0.00 H new ATOM 0 HB3 PRO B 609 19.271 3.282 -3.482 1.00 0.00 H new ATOM 0 HG2 PRO B 609 19.475 4.162 -0.608 1.00 0.00 H new ATOM 0 HG3 PRO B 609 20.753 3.964 -1.790 1.00 0.00 H new ATOM 0 HD2 PRO B 609 19.699 6.415 -1.189 1.00 0.00 H new ATOM 0 HD3 PRO B 609 20.347 6.049 -2.775 1.00 0.00 H new ATOM 846 N ILE B 610 16.687 4.830 -0.546 1.00 0.00 N ATOM 847 CA ILE B 610 15.709 4.662 0.522 1.00 0.00 C ATOM 848 C ILE B 610 15.271 6.009 1.091 1.00 0.00 C ATOM 849 O ILE B 610 15.908 6.546 1.996 1.00 0.00 O ATOM 850 CB ILE B 610 16.267 3.794 1.666 1.00 0.00 C ATOM 851 CG1 ILE B 610 16.855 2.496 1.111 1.00 0.00 C ATOM 852 CG2 ILE B 610 15.180 3.494 2.688 1.00 0.00 C ATOM 853 CD1 ILE B 610 17.644 1.704 2.131 1.00 0.00 C ATOM 0 H ILE B 610 17.485 5.415 -0.300 1.00 0.00 H new ATOM 0 HA ILE B 610 14.848 4.161 0.080 1.00 0.00 H new ATOM 0 HB ILE B 610 17.062 4.348 2.165 1.00 0.00 H new ATOM 0 HG12 ILE B 610 16.045 1.875 0.728 1.00 0.00 H new ATOM 0 HG13 ILE B 610 17.503 2.732 0.267 1.00 0.00 H new ATOM 0 HG21 ILE B 610 15.593 2.880 3.488 1.00 0.00 H new ATOM 0 HG22 ILE B 610 14.804 4.429 3.105 1.00 0.00 H new ATOM 0 HG23 ILE B 610 14.363 2.958 2.204 1.00 0.00 H new ATOM 0 HD11 ILE B 610 18.031 0.797 1.667 1.00 0.00 H new ATOM 0 HD12 ILE B 610 18.475 2.307 2.497 1.00 0.00 H new ATOM 0 HD13 ILE B 610 16.995 1.437 2.965 1.00 0.00 H new ATOM 865 N PRO B 611 14.169 6.572 0.566 1.00 0.00 N ATOM 866 CA PRO B 611 13.646 7.861 1.030 1.00 0.00 C ATOM 867 C PRO B 611 13.522 7.924 2.548 1.00 0.00 C ATOM 868 O PRO B 611 13.879 8.926 3.169 1.00 0.00 O ATOM 869 CB PRO B 611 12.265 7.934 0.377 1.00 0.00 C ATOM 870 CG PRO B 611 12.387 7.105 -0.854 1.00 0.00 C ATOM 871 CD PRO B 611 13.346 5.997 -0.515 1.00 0.00 C ATOM 0 HA PRO B 611 14.304 8.689 0.765 1.00 0.00 H new ATOM 0 HB2 PRO B 611 11.492 7.547 1.041 1.00 0.00 H new ATOM 0 HB3 PRO B 611 11.994 8.962 0.137 1.00 0.00 H new ATOM 0 HG2 PRO B 611 11.418 6.705 -1.152 1.00 0.00 H new ATOM 0 HG3 PRO B 611 12.757 7.699 -1.689 1.00 0.00 H new ATOM 0 HD2 PRO B 611 12.822 5.099 -0.186 1.00 0.00 H new ATOM 0 HD3 PRO B 611 13.953 5.715 -1.375 1.00 0.00 H new ATOM 879 N GLY B 612 13.016 6.846 3.140 1.00 0.00 N ATOM 880 CA GLY B 612 12.855 6.800 4.582 1.00 0.00 C ATOM 881 C GLY B 612 11.525 6.205 5.000 1.00 0.00 C ATOM 882 O GLY B 612 11.440 5.017 5.312 1.00 0.00 O ATOM 0 H GLY B 612 12.715 6.005 2.648 1.00 0.00 H new ATOM 0 HA2 GLY B 612 13.664 6.213 5.016 1.00 0.00 H new ATOM 0 HA3 GLY B 612 12.941 7.809 4.986 1.00 0.00 H new ATOM 886 N THR B 613 10.485 7.032 5.010 1.00 0.00 N ATOM 887 CA THR B 613 9.152 6.581 5.396 1.00 0.00 C ATOM 888 C THR B 613 8.450 5.877 4.238 1.00 0.00 C ATOM 889 O THR B 613 8.817 6.059 3.078 1.00 0.00 O ATOM 890 CB THR B 613 8.278 7.756 5.873 1.00 0.00 C ATOM 891 OG1 THR B 613 8.256 8.786 4.878 1.00 0.00 O ATOM 892 CG2 THR B 613 8.801 8.322 7.185 1.00 0.00 C ATOM 0 H THR B 613 10.539 8.018 4.755 1.00 0.00 H new ATOM 0 HA THR B 613 9.283 5.877 6.218 1.00 0.00 H new ATOM 0 HB THR B 613 7.266 7.385 6.034 1.00 0.00 H new ATOM 0 HG1 THR B 613 7.697 9.529 5.188 1.00 0.00 H new ATOM 0 HG21 THR B 613 8.168 9.151 7.502 1.00 0.00 H new ATOM 0 HG22 THR B 613 8.789 7.543 7.948 1.00 0.00 H new ATOM 0 HG23 THR B 613 9.822 8.678 7.046 1.00 0.00 H new ATOM 900 N PRO B 614 7.425 5.060 4.542 1.00 0.00 N ATOM 901 CA PRO B 614 6.671 4.328 3.519 1.00 0.00 C ATOM 902 C PRO B 614 6.105 5.252 2.444 1.00 0.00 C ATOM 903 O PRO B 614 6.039 6.467 2.631 1.00 0.00 O ATOM 904 CB PRO B 614 5.536 3.670 4.311 1.00 0.00 C ATOM 905 CG PRO B 614 6.042 3.588 5.709 1.00 0.00 C ATOM 906 CD PRO B 614 6.924 4.789 5.901 1.00 0.00 C ATOM 0 HA PRO B 614 7.300 3.618 2.982 1.00 0.00 H new ATOM 0 HB2 PRO B 614 4.622 4.261 4.256 1.00 0.00 H new ATOM 0 HB3 PRO B 614 5.301 2.681 3.917 1.00 0.00 H new ATOM 0 HG2 PRO B 614 5.218 3.591 6.423 1.00 0.00 H new ATOM 0 HG3 PRO B 614 6.599 2.665 5.869 1.00 0.00 H new ATOM 0 HD2 PRO B 614 6.368 5.637 6.302 1.00 0.00 H new ATOM 0 HD3 PRO B 614 7.738 4.584 6.597 1.00 0.00 H new ATOM 914 N PRO B 615 5.689 4.685 1.298 1.00 0.00 N ATOM 915 CA PRO B 615 5.127 5.463 0.190 1.00 0.00 C ATOM 916 C PRO B 615 4.007 6.396 0.642 1.00 0.00 C ATOM 917 O PRO B 615 3.726 6.511 1.836 1.00 0.00 O ATOM 918 CB PRO B 615 4.582 4.392 -0.757 1.00 0.00 C ATOM 919 CG PRO B 615 5.404 3.184 -0.472 1.00 0.00 C ATOM 920 CD PRO B 615 5.734 3.242 0.994 1.00 0.00 C ATOM 0 HA PRO B 615 5.871 6.116 -0.266 1.00 0.00 H new ATOM 0 HB2 PRO B 615 3.524 4.203 -0.575 1.00 0.00 H new ATOM 0 HB3 PRO B 615 4.676 4.699 -1.799 1.00 0.00 H new ATOM 0 HG2 PRO B 615 4.855 2.273 -0.712 1.00 0.00 H new ATOM 0 HG3 PRO B 615 6.311 3.178 -1.076 1.00 0.00 H new ATOM 0 HD2 PRO B 615 5.013 2.683 1.591 1.00 0.00 H new ATOM 0 HD3 PRO B 615 6.716 2.818 1.202 1.00 0.00 H new ATOM 928 N PRO B 616 3.349 7.080 -0.311 1.00 0.00 N ATOM 929 CA PRO B 616 2.254 8.010 -0.006 1.00 0.00 C ATOM 930 C PRO B 616 1.161 7.361 0.838 1.00 0.00 C ATOM 931 O PRO B 616 0.747 6.232 0.577 1.00 0.00 O ATOM 932 CB PRO B 616 1.710 8.389 -1.385 1.00 0.00 C ATOM 933 CG PRO B 616 2.851 8.168 -2.318 1.00 0.00 C ATOM 934 CD PRO B 616 3.622 7.005 -1.758 1.00 0.00 C ATOM 0 HA PRO B 616 2.597 8.863 0.579 1.00 0.00 H new ATOM 0 HB2 PRO B 616 0.853 7.772 -1.655 1.00 0.00 H new ATOM 0 HB3 PRO B 616 1.376 9.426 -1.407 1.00 0.00 H new ATOM 0 HG2 PRO B 616 2.495 7.952 -3.326 1.00 0.00 H new ATOM 0 HG3 PRO B 616 3.479 9.057 -2.385 1.00 0.00 H new ATOM 0 HD2 PRO B 616 3.286 6.059 -2.182 1.00 0.00 H new ATOM 0 HD3 PRO B 616 4.688 7.089 -1.971 1.00 0.00 H new ATOM 942 N ASN B 617 0.695 8.086 1.851 1.00 0.00 N ATOM 943 CA ASN B 617 -0.352 7.585 2.733 1.00 0.00 C ATOM 944 C ASN B 617 -1.618 7.260 1.943 1.00 0.00 C ATOM 945 O ASN B 617 -1.877 7.854 0.898 1.00 0.00 O ATOM 946 CB ASN B 617 -0.661 8.613 3.825 1.00 0.00 C ATOM 947 CG ASN B 617 -0.256 8.130 5.205 1.00 0.00 C ATOM 948 OD1 ASN B 617 0.309 8.882 5.998 1.00 0.00 O ATOM 949 ND2 ASN B 617 -0.544 6.867 5.499 1.00 0.00 N ATOM 0 H ASN B 617 1.027 9.023 2.081 1.00 0.00 H new ATOM 0 HA ASN B 617 0.005 6.668 3.201 1.00 0.00 H new ATOM 0 HB2 ASN B 617 -0.140 9.544 3.602 1.00 0.00 H new ATOM 0 HB3 ASN B 617 -1.728 8.835 3.819 1.00 0.00 H new ATOM 0 HD21 ASN B 617 -0.296 6.487 6.412 1.00 0.00 H new ATOM 0 HD22 ASN B 617 -1.014 6.278 4.812 1.00 0.00 H new ATOM 956 N TYR B 618 -2.401 6.309 2.448 1.00 0.00 N ATOM 957 CA TYR B 618 -3.635 5.904 1.783 1.00 0.00 C ATOM 958 C TYR B 618 -4.621 7.065 1.704 1.00 0.00 C ATOM 959 O TYR B 618 -5.230 7.305 0.661 1.00 0.00 O ATOM 960 CB TYR B 618 -4.276 4.729 2.524 1.00 0.00 C ATOM 961 CG TYR B 618 -5.518 4.193 1.849 1.00 0.00 C ATOM 962 CD1 TYR B 618 -5.465 3.687 0.557 1.00 0.00 C ATOM 963 CD2 TYR B 618 -6.743 4.195 2.504 1.00 0.00 C ATOM 964 CE1 TYR B 618 -6.598 3.195 -0.065 1.00 0.00 C ATOM 965 CE2 TYR B 618 -7.881 3.706 1.890 1.00 0.00 C ATOM 966 CZ TYR B 618 -7.803 3.208 0.606 1.00 0.00 C ATOM 967 OH TYR B 618 -8.933 2.720 -0.009 1.00 0.00 O ATOM 0 H TYR B 618 -2.203 5.806 3.313 1.00 0.00 H new ATOM 0 HA TYR B 618 -3.384 5.595 0.768 1.00 0.00 H new ATOM 0 HB2 TYR B 618 -3.546 3.925 2.614 1.00 0.00 H new ATOM 0 HB3 TYR B 618 -4.530 5.044 3.536 1.00 0.00 H new ATOM 0 HD1 TYR B 618 -4.523 3.677 0.029 1.00 0.00 H new ATOM 0 HD2 TYR B 618 -6.807 4.585 3.509 1.00 0.00 H new ATOM 0 HE1 TYR B 618 -6.540 2.803 -1.070 1.00 0.00 H new ATOM 0 HE2 TYR B 618 -8.826 3.714 2.413 1.00 0.00 H new ATOM 0 HH TYR B 618 -9.697 2.800 0.599 1.00 0.00 H new ATOM 977 N ASP B 619 -4.776 7.783 2.811 1.00 0.00 N ATOM 978 CA ASP B 619 -5.689 8.919 2.863 1.00 0.00 C ATOM 979 C ASP B 619 -5.232 10.027 1.919 1.00 0.00 C ATOM 980 O ASP B 619 -6.038 10.842 1.469 1.00 0.00 O ATOM 981 CB ASP B 619 -5.788 9.457 4.291 1.00 0.00 C ATOM 982 CG ASP B 619 -4.429 9.757 4.891 1.00 0.00 C ATOM 983 OD1 ASP B 619 -3.582 10.341 4.181 1.00 0.00 O ATOM 984 OD2 ASP B 619 -4.210 9.407 6.070 1.00 0.00 O ATOM 0 H ASP B 619 -4.282 7.599 3.684 1.00 0.00 H new ATOM 0 HA ASP B 619 -6.673 8.577 2.543 1.00 0.00 H new ATOM 0 HB2 ASP B 619 -6.392 10.365 4.293 1.00 0.00 H new ATOM 0 HB3 ASP B 619 -6.305 8.729 4.916 1.00 0.00 H new ATOM 989 N SER B 620 -3.937 10.050 1.623 1.00 0.00 N ATOM 990 CA SER B 620 -3.374 11.059 0.732 1.00 0.00 C ATOM 991 C SER B 620 -3.594 10.684 -0.730 1.00 0.00 C ATOM 992 O SER B 620 -3.577 11.545 -1.609 1.00 0.00 O ATOM 993 CB SER B 620 -1.879 11.233 1.006 1.00 0.00 C ATOM 994 OG SER B 620 -1.485 12.583 0.834 1.00 0.00 O ATOM 0 H SER B 620 -3.257 9.382 1.987 1.00 0.00 H new ATOM 0 HA SER B 620 -3.886 12.002 0.925 1.00 0.00 H new ATOM 0 HB2 SER B 620 -1.652 10.911 2.022 1.00 0.00 H new ATOM 0 HB3 SER B 620 -1.306 10.595 0.334 1.00 0.00 H new ATOM 0 HG SER B 620 -0.526 12.670 1.016 1.00 0.00 H new ATOM 1000 N LEU B 621 -3.797 9.395 -0.987 1.00 0.00 N ATOM 1001 CA LEU B 621 -4.017 8.914 -2.345 1.00 0.00 C ATOM 1002 C LEU B 621 -5.406 9.301 -2.841 1.00 0.00 C ATOM 1003 O LEU B 621 -5.575 9.445 -4.070 1.00 0.00 O ATOM 1004 CB LEU B 621 -3.846 7.394 -2.405 1.00 0.00 C ATOM 1005 CG LEU B 621 -2.398 6.910 -2.499 1.00 0.00 C ATOM 1006 CD1 LEU B 621 -2.307 5.431 -2.159 1.00 0.00 C ATOM 1007 CD2 LEU B 621 -1.837 7.175 -3.888 1.00 0.00 C ATOM 1008 OXT LEU B 621 -6.313 9.457 -1.996 1.00 0.00 O ATOM 0 H LEU B 621 -3.814 8.667 -0.273 1.00 0.00 H new ATOM 0 HA LEU B 621 -3.276 9.382 -2.993 1.00 0.00 H new ATOM 0 HB2 LEU B 621 -4.303 6.957 -1.517 1.00 0.00 H new ATOM 0 HB3 LEU B 621 -4.397 7.015 -3.266 1.00 0.00 H new ATOM 0 HG LEU B 621 -1.801 7.466 -1.776 1.00 0.00 H new ATOM 0 HD11 LEU B 621 -1.270 5.104 -2.231 1.00 0.00 H new ATOM 0 HD12 LEU B 621 -2.669 5.268 -1.144 1.00 0.00 H new ATOM 0 HD13 LEU B 621 -2.917 4.859 -2.858 1.00 0.00 H new ATOM 0 HD21 LEU B 621 -0.806 6.824 -3.937 1.00 0.00 H new ATOM 0 HD22 LEU B 621 -2.436 6.646 -4.629 1.00 0.00 H new ATOM 0 HD23 LEU B 621 -1.867 8.245 -4.094 1.00 0.00 H new TER 1020 LEU B 621