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= -1.34 K(o=-2.1,f=-6.6!) USER MOD Set 1.2: W 481 ASN :FLIP amide:sc= -0.802 F(o=-3.7,f=-2.1) USER MOD Single : B 606 SER OG : rot 180:sc= 0 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= -0.102 X(o=-0.1,f=0) 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 180:sc= 0 USER MOD Single : W 455 SER OG : rot 180:sc= 0 USER MOD Single : W 456 ASN : amide:sc=-0.000929 K(o=-0.00093,f=-0.55) USER MOD Single : W 469 THR OG1 : rot 180:sc= 0 USER MOD Single : W 470 HIS : no HD1:sc= -2.79! C(o=-2.8!,f=-2.6!) USER MOD Single : W 471 THR OG1 : rot 180:sc= 0 USER MOD Single : W 480 HIS : no HD1:sc=-0.00309 X(o=-0.0031,f=0) USER MOD Single : W 483 LYS NZ :NH3+ -116:sc= 1.05 (180deg=-0.0892) USER MOD Single : W 484 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : W 485 THR OG1 : rot 145:sc=-0.00765 USER MOD Single : W 486 GLN : amide:sc= -0.327 K(o=-0.33,f=-1.1) USER MOD Single : W 492 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : W 493 GLN : amide:sc= -0.571 K(o=-0.57,f=-3.5) USER MOD Single : W 494 ASN : amide:sc= 0.152 X(o=0.15,f=0) USER MOD Single : W 498 THR OG1 : rot 180:sc= 0.0221 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY W 450 16.160 -25.418 -0.899 1.00 0.00 N ATOM 2 CA GLY W 450 17.445 -24.803 -1.331 1.00 0.00 C ATOM 3 C GLY W 450 17.321 -23.314 -1.580 1.00 0.00 C ATOM 4 O GLY W 450 18.153 -22.529 -1.124 1.00 0.00 O ATOM 0 HA2 GLY W 450 18.203 -24.978 -0.567 1.00 0.00 H new ATOM 0 HA3 GLY W 450 17.790 -25.293 -2.241 1.00 0.00 H new ATOM 10 N SER W 451 16.280 -22.922 -2.309 1.00 0.00 N ATOM 11 CA SER W 451 16.051 -21.516 -2.620 1.00 0.00 C ATOM 12 C SER W 451 14.558 -21.203 -2.650 1.00 0.00 C ATOM 13 O SER W 451 13.927 -21.243 -3.707 1.00 0.00 O ATOM 14 CB SER W 451 16.688 -21.158 -3.964 1.00 0.00 C ATOM 15 OG SER W 451 17.719 -20.200 -3.802 1.00 0.00 O ATOM 0 H SER W 451 15.582 -23.558 -2.695 1.00 0.00 H new ATOM 0 HA SER W 451 16.514 -20.916 -1.837 1.00 0.00 H new ATOM 0 HB2 SER W 451 17.093 -22.057 -4.429 1.00 0.00 H new ATOM 0 HB3 SER W 451 15.926 -20.766 -4.638 1.00 0.00 H new ATOM 0 HG SER W 451 18.111 -19.990 -4.675 1.00 0.00 H new ATOM 21 N PRO W 452 13.969 -20.882 -1.485 1.00 0.00 N ATOM 22 CA PRO W 452 12.541 -20.559 -1.383 1.00 0.00 C ATOM 23 C PRO W 452 12.200 -19.239 -2.066 1.00 0.00 C ATOM 24 O PRO W 452 11.800 -18.276 -1.413 1.00 0.00 O ATOM 25 CB PRO W 452 12.304 -20.458 0.125 1.00 0.00 C ATOM 26 CG PRO W 452 13.638 -20.117 0.696 1.00 0.00 C ATOM 27 CD PRO W 452 14.646 -20.807 -0.177 1.00 0.00 C ATOM 0 HA PRO W 452 11.917 -21.306 -1.874 1.00 0.00 H new ATOM 0 HB2 PRO W 452 11.565 -19.691 0.359 1.00 0.00 H new ATOM 0 HB3 PRO W 452 11.928 -21.397 0.531 1.00 0.00 H new ATOM 0 HG2 PRO W 452 13.797 -19.039 0.700 1.00 0.00 H new ATOM 0 HG3 PRO W 452 13.719 -20.455 1.729 1.00 0.00 H new ATOM 0 HD2 PRO W 452 15.577 -20.244 -0.238 1.00 0.00 H new ATOM 0 HD3 PRO W 452 14.896 -21.797 0.203 1.00 0.00 H new ATOM 35 N VAL W 453 12.363 -19.203 -3.384 1.00 0.00 N ATOM 36 CA VAL W 453 12.075 -18.001 -4.158 1.00 0.00 C ATOM 37 C VAL W 453 10.579 -17.849 -4.412 1.00 0.00 C ATOM 38 O VAL W 453 10.086 -16.738 -4.610 1.00 0.00 O ATOM 39 CB VAL W 453 12.814 -18.016 -5.510 1.00 0.00 C ATOM 40 CG1 VAL W 453 14.319 -18.070 -5.298 1.00 0.00 C ATOM 41 CG2 VAL W 453 12.346 -19.187 -6.360 1.00 0.00 C ATOM 0 H VAL W 453 12.693 -19.993 -3.939 1.00 0.00 H new ATOM 0 HA VAL W 453 12.425 -17.155 -3.567 1.00 0.00 H new ATOM 0 HB VAL W 453 12.579 -17.093 -6.041 1.00 0.00 H new ATOM 0 HG11 VAL W 453 14.822 -18.080 -6.265 1.00 0.00 H new ATOM 0 HG12 VAL W 453 14.638 -17.195 -4.732 1.00 0.00 H new ATOM 0 HG13 VAL W 453 14.576 -18.974 -4.746 1.00 0.00 H new ATOM 0 HG21 VAL W 453 12.878 -19.182 -7.311 1.00 0.00 H new ATOM 0 HG22 VAL W 453 12.548 -20.121 -5.836 1.00 0.00 H new ATOM 0 HG23 VAL W 453 11.275 -19.099 -6.543 1.00 0.00 H new ATOM 51 N ASP W 454 9.861 -18.967 -4.405 1.00 0.00 N ATOM 52 CA ASP W 454 8.420 -18.949 -4.638 1.00 0.00 C ATOM 53 C ASP W 454 7.728 -20.074 -3.873 1.00 0.00 C ATOM 54 O ASP W 454 7.154 -20.985 -4.470 1.00 0.00 O ATOM 55 CB ASP W 454 8.125 -19.073 -6.133 1.00 0.00 C ATOM 56 CG ASP W 454 7.040 -18.118 -6.592 1.00 0.00 C ATOM 57 OD1 ASP W 454 6.501 -17.380 -5.741 1.00 0.00 O ATOM 58 OD2 ASP W 454 6.730 -18.108 -7.802 1.00 0.00 O ATOM 0 H ASP W 454 10.251 -19.895 -4.241 1.00 0.00 H new ATOM 0 HA ASP W 454 8.030 -17.998 -4.275 1.00 0.00 H new ATOM 0 HB2 ASP W 454 9.037 -18.880 -6.697 1.00 0.00 H new ATOM 0 HB3 ASP W 454 7.823 -20.096 -6.357 1.00 0.00 H new ATOM 63 N SER W 455 7.788 -20.004 -2.547 1.00 0.00 N ATOM 64 CA SER W 455 7.168 -21.015 -1.697 1.00 0.00 C ATOM 65 C SER W 455 5.650 -20.856 -1.674 1.00 0.00 C ATOM 66 O SER W 455 4.921 -21.813 -1.411 1.00 0.00 O ATOM 67 CB SER W 455 7.723 -20.925 -0.275 1.00 0.00 C ATOM 68 OG SER W 455 7.109 -19.872 0.447 1.00 0.00 O ATOM 0 H SER W 455 8.260 -19.257 -2.037 1.00 0.00 H new ATOM 0 HA SER W 455 7.404 -21.995 -2.112 1.00 0.00 H new ATOM 0 HB2 SER W 455 7.558 -21.870 0.243 1.00 0.00 H new ATOM 0 HB3 SER W 455 8.801 -20.765 -0.311 1.00 0.00 H new ATOM 0 HG SER W 455 7.480 -19.837 1.353 1.00 0.00 H new ATOM 74 N ASN W 456 5.180 -19.643 -1.948 1.00 0.00 N ATOM 75 CA ASN W 456 3.749 -19.362 -1.957 1.00 0.00 C ATOM 76 C ASN W 456 3.372 -18.481 -3.144 1.00 0.00 C ATOM 77 O ASN W 456 3.972 -17.430 -3.366 1.00 0.00 O ATOM 78 CB ASN W 456 3.334 -18.680 -0.652 1.00 0.00 C ATOM 79 CG ASN W 456 1.829 -18.540 -0.524 1.00 0.00 C ATOM 80 OD1 ASN W 456 1.231 -17.618 -1.076 1.00 0.00 O ATOM 81 ND2 ASN W 456 1.210 -19.460 0.209 1.00 0.00 N ATOM 0 H ASN W 456 5.769 -18.840 -2.167 1.00 0.00 H new ATOM 0 HA ASN W 456 3.220 -20.311 -2.050 1.00 0.00 H new ATOM 0 HB2 ASN W 456 3.715 -19.255 0.192 1.00 0.00 H new ATOM 0 HB3 ASN W 456 3.793 -17.693 -0.599 1.00 0.00 H new ATOM 0 HD21 ASN W 456 0.198 -19.418 0.332 1.00 0.00 H new ATOM 0 HD22 ASN W 456 1.747 -20.208 0.649 1.00 0.00 H new ATOM 88 N ASP W 457 2.373 -18.918 -3.904 1.00 0.00 N ATOM 89 CA ASP W 457 1.913 -18.169 -5.068 1.00 0.00 C ATOM 90 C ASP W 457 0.598 -17.456 -4.767 1.00 0.00 C ATOM 91 O ASP W 457 -0.422 -18.095 -4.513 1.00 0.00 O ATOM 92 CB ASP W 457 1.736 -19.105 -6.265 1.00 0.00 C ATOM 93 CG ASP W 457 2.903 -20.058 -6.432 1.00 0.00 C ATOM 94 OD1 ASP W 457 3.890 -19.927 -5.678 1.00 0.00 O ATOM 95 OD2 ASP W 457 2.830 -20.936 -7.317 1.00 0.00 O ATOM 0 H ASP W 457 1.866 -19.787 -3.735 1.00 0.00 H new ATOM 0 HA ASP W 457 2.667 -17.420 -5.310 1.00 0.00 H new ATOM 0 HB2 ASP W 457 0.817 -19.678 -6.141 1.00 0.00 H new ATOM 0 HB3 ASP W 457 1.622 -18.512 -7.172 1.00 0.00 H new ATOM 100 N LEU W 458 0.633 -16.127 -4.794 1.00 0.00 N ATOM 101 CA LEU W 458 -0.555 -15.327 -4.522 1.00 0.00 C ATOM 102 C LEU W 458 -1.133 -14.749 -5.808 1.00 0.00 C ATOM 103 O LEU W 458 -2.329 -14.867 -6.073 1.00 0.00 O ATOM 104 CB LEU W 458 -0.218 -14.195 -3.549 1.00 0.00 C ATOM 105 CG LEU W 458 -0.385 -14.544 -2.069 1.00 0.00 C ATOM 106 CD1 LEU W 458 0.447 -13.610 -1.206 1.00 0.00 C ATOM 107 CD2 LEU W 458 -1.851 -14.478 -1.670 1.00 0.00 C ATOM 0 H LEU W 458 1.470 -15.583 -5.001 1.00 0.00 H new ATOM 0 HA LEU W 458 -1.304 -15.978 -4.071 1.00 0.00 H new ATOM 0 HB2 LEU W 458 0.813 -13.884 -3.720 1.00 0.00 H new ATOM 0 HB3 LEU W 458 -0.851 -13.338 -3.779 1.00 0.00 H new ATOM 0 HG LEU W 458 -0.032 -15.563 -1.911 1.00 0.00 H new ATOM 0 HD11 LEU W 458 0.317 -13.872 -0.156 1.00 0.00 H new ATOM 0 HD12 LEU W 458 1.499 -13.705 -1.476 1.00 0.00 H new ATOM 0 HD13 LEU W 458 0.123 -12.582 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU W 458 -1.952 -14.729 -0.614 1.00 0.00 H new ATOM 0 HD22 LEU W 458 -2.230 -13.470 -1.841 1.00 0.00 H new ATOM 0 HD23 LEU W 458 -2.423 -15.187 -2.268 1.00 0.00 H new ATOM 119 N GLY W 459 -0.274 -14.123 -6.606 1.00 0.00 N ATOM 120 CA GLY W 459 -0.716 -13.533 -7.855 1.00 0.00 C ATOM 121 C GLY W 459 -0.984 -12.044 -7.730 1.00 0.00 C ATOM 122 O GLY W 459 -0.046 -11.248 -7.670 1.00 0.00 O ATOM 0 H GLY W 459 0.721 -14.014 -6.409 1.00 0.00 H new ATOM 0 HA2 GLY W 459 0.042 -13.700 -8.620 1.00 0.00 H new ATOM 0 HA3 GLY W 459 -1.623 -14.036 -8.190 1.00 0.00 H new ATOM 126 N PRO W 460 -2.262 -11.632 -7.687 1.00 0.00 N ATOM 127 CA PRO W 460 -2.632 -10.222 -7.567 1.00 0.00 C ATOM 128 C PRO W 460 -2.573 -9.726 -6.126 1.00 0.00 C ATOM 129 O PRO W 460 -3.567 -9.244 -5.585 1.00 0.00 O ATOM 130 CB PRO W 460 -4.069 -10.206 -8.080 1.00 0.00 C ATOM 131 CG PRO W 460 -4.612 -11.545 -7.712 1.00 0.00 C ATOM 132 CD PRO W 460 -3.448 -12.507 -7.752 1.00 0.00 C ATOM 0 HA PRO W 460 -1.955 -9.567 -8.116 1.00 0.00 H new ATOM 0 HB2 PRO W 460 -4.646 -9.404 -7.620 1.00 0.00 H new ATOM 0 HB3 PRO W 460 -4.104 -10.046 -9.158 1.00 0.00 H new ATOM 0 HG2 PRO W 460 -5.062 -11.522 -6.719 1.00 0.00 H new ATOM 0 HG3 PRO W 460 -5.393 -11.852 -8.408 1.00 0.00 H new ATOM 0 HD2 PRO W 460 -3.477 -13.204 -6.914 1.00 0.00 H new ATOM 0 HD3 PRO W 460 -3.454 -13.104 -8.664 1.00 0.00 H new ATOM 140 N LEU W 461 -1.402 -9.850 -5.510 1.00 0.00 N ATOM 141 CA LEU W 461 -1.215 -9.415 -4.131 1.00 0.00 C ATOM 142 C LEU W 461 -2.219 -10.099 -3.206 1.00 0.00 C ATOM 143 O LEU W 461 -3.184 -10.710 -3.665 1.00 0.00 O ATOM 144 CB LEU W 461 -1.364 -7.896 -4.026 1.00 0.00 C ATOM 145 CG LEU W 461 -0.954 -7.117 -5.276 1.00 0.00 C ATOM 146 CD1 LEU W 461 -1.489 -5.696 -5.215 1.00 0.00 C ATOM 147 CD2 LEU W 461 0.559 -7.114 -5.430 1.00 0.00 C ATOM 0 H LEU W 461 -0.569 -10.248 -5.944 1.00 0.00 H new ATOM 0 HA LEU W 461 -0.208 -9.696 -3.822 1.00 0.00 H new ATOM 0 HB2 LEU W 461 -2.404 -7.663 -3.796 1.00 0.00 H new ATOM 0 HB3 LEU W 461 -0.766 -7.545 -3.185 1.00 0.00 H new ATOM 0 HG LEU W 461 -1.386 -7.610 -6.147 1.00 0.00 H new ATOM 0 HD11 LEU W 461 -1.188 -5.155 -6.112 1.00 0.00 H new ATOM 0 HD12 LEU W 461 -2.577 -5.719 -5.153 1.00 0.00 H new ATOM 0 HD13 LEU W 461 -1.086 -5.193 -4.336 1.00 0.00 H new ATOM 0 HD21 LEU W 461 0.833 -6.555 -6.325 1.00 0.00 H new ATOM 0 HD22 LEU W 461 1.013 -6.645 -4.557 1.00 0.00 H new ATOM 0 HD23 LEU W 461 0.918 -8.139 -5.519 1.00 0.00 H new ATOM 159 N PRO W 462 -2.001 -10.007 -1.882 1.00 0.00 N ATOM 160 CA PRO W 462 -2.886 -10.619 -0.889 1.00 0.00 C ATOM 161 C PRO W 462 -4.227 -9.896 -0.787 1.00 0.00 C ATOM 162 O PRO W 462 -4.447 -8.884 -1.454 1.00 0.00 O ATOM 163 CB PRO W 462 -2.103 -10.494 0.429 1.00 0.00 C ATOM 164 CG PRO W 462 -0.730 -10.048 0.046 1.00 0.00 C ATOM 165 CD PRO W 462 -0.880 -9.305 -1.247 1.00 0.00 C ATOM 0 HA PRO W 462 -3.135 -11.648 -1.149 1.00 0.00 H new ATOM 0 HB2 PRO W 462 -2.575 -9.775 1.098 1.00 0.00 H new ATOM 0 HB3 PRO W 462 -2.071 -11.447 0.957 1.00 0.00 H new ATOM 0 HG2 PRO W 462 -0.299 -9.408 0.816 1.00 0.00 H new ATOM 0 HG3 PRO W 462 -0.061 -10.901 -0.070 1.00 0.00 H new ATOM 0 HD2 PRO W 462 -1.100 -8.249 -1.087 1.00 0.00 H new ATOM 0 HD3 PRO W 462 0.026 -9.354 -1.852 1.00 0.00 H new ATOM 173 N PRO W 463 -5.147 -10.404 0.052 1.00 0.00 N ATOM 174 CA PRO W 463 -6.470 -9.797 0.234 1.00 0.00 C ATOM 175 C PRO W 463 -6.391 -8.441 0.928 1.00 0.00 C ATOM 176 O PRO W 463 -5.713 -8.292 1.945 1.00 0.00 O ATOM 177 CB PRO W 463 -7.213 -10.807 1.112 1.00 0.00 C ATOM 178 CG PRO W 463 -6.141 -11.554 1.829 1.00 0.00 C ATOM 179 CD PRO W 463 -4.970 -11.607 0.887 1.00 0.00 C ATOM 0 HA PRO W 463 -6.963 -9.603 -0.718 1.00 0.00 H new ATOM 0 HB2 PRO W 463 -7.881 -10.305 1.812 1.00 0.00 H new ATOM 0 HB3 PRO W 463 -7.827 -11.477 0.510 1.00 0.00 H new ATOM 0 HG2 PRO W 463 -5.871 -11.053 2.759 1.00 0.00 H new ATOM 0 HG3 PRO W 463 -6.475 -12.557 2.093 1.00 0.00 H new ATOM 0 HD2 PRO W 463 -4.022 -11.587 1.424 1.00 0.00 H new ATOM 0 HD3 PRO W 463 -4.978 -12.517 0.287 1.00 0.00 H new ATOM 187 N GLY W 464 -7.084 -7.453 0.368 1.00 0.00 N ATOM 188 CA GLY W 464 -7.072 -6.122 0.945 1.00 0.00 C ATOM 189 C GLY W 464 -5.878 -5.298 0.495 1.00 0.00 C ATOM 190 O GLY W 464 -5.806 -4.100 0.769 1.00 0.00 O ATOM 0 H GLY W 464 -7.652 -7.551 -0.473 1.00 0.00 H new ATOM 0 HA2 GLY W 464 -7.990 -5.603 0.670 1.00 0.00 H new ATOM 0 HA3 GLY W 464 -7.064 -6.202 2.032 1.00 0.00 H new ATOM 194 N TRP W 465 -4.935 -5.939 -0.193 1.00 0.00 N ATOM 195 CA TRP W 465 -3.741 -5.255 -0.673 1.00 0.00 C ATOM 196 C TRP W 465 -3.948 -4.715 -2.084 1.00 0.00 C ATOM 197 O TRP W 465 -4.878 -5.115 -2.784 1.00 0.00 O ATOM 198 CB TRP W 465 -2.545 -6.204 -0.630 1.00 0.00 C ATOM 199 CG TRP W 465 -1.974 -6.356 0.738 1.00 0.00 C ATOM 200 CD1 TRP W 465 -2.343 -7.261 1.689 1.00 0.00 C ATOM 201 CD2 TRP W 465 -0.930 -5.570 1.311 1.00 0.00 C ATOM 202 NE1 TRP W 465 -1.581 -7.092 2.818 1.00 0.00 N ATOM 203 CE2 TRP W 465 -0.707 -6.058 2.609 1.00 0.00 C ATOM 204 CE3 TRP W 465 -0.158 -4.501 0.847 1.00 0.00 C ATOM 205 CZ2 TRP W 465 0.254 -5.515 3.448 1.00 0.00 C ATOM 206 CZ3 TRP W 465 0.798 -3.961 1.686 1.00 0.00 C ATOM 207 CH2 TRP W 465 0.998 -4.470 2.974 1.00 0.00 C ATOM 0 H TRP W 465 -4.977 -6.930 -0.429 1.00 0.00 H new ATOM 0 HA TRP W 465 -3.543 -4.406 -0.019 1.00 0.00 H new ATOM 0 HB2 TRP W 465 -2.850 -7.182 -1.001 1.00 0.00 H new ATOM 0 HB3 TRP W 465 -1.771 -5.835 -1.303 1.00 0.00 H new ATOM 0 HD1 TRP W 465 -3.120 -8.002 1.571 1.00 0.00 H new ATOM 0 HE1 TRP W 465 -1.654 -7.645 3.672 1.00 0.00 H new ATOM 0 HE3 TRP W 465 -0.306 -4.105 -0.147 1.00 0.00 H new ATOM 0 HZ2 TRP W 465 0.410 -5.904 4.443 1.00 0.00 H new ATOM 0 HZ3 TRP W 465 1.400 -3.133 1.342 1.00 0.00 H new ATOM 0 HH2 TRP W 465 1.755 -4.029 3.606 1.00 0.00 H new ATOM 218 N GLU W 466 -3.083 -3.791 -2.488 1.00 0.00 N ATOM 219 CA GLU W 466 -3.178 -3.178 -3.806 1.00 0.00 C ATOM 220 C GLU W 466 -1.805 -2.751 -4.316 1.00 0.00 C ATOM 221 O GLU W 466 -0.980 -2.245 -3.556 1.00 0.00 O ATOM 222 CB GLU W 466 -4.105 -1.964 -3.749 1.00 0.00 C ATOM 223 CG GLU W 466 -5.449 -2.188 -4.424 1.00 0.00 C ATOM 224 CD GLU W 466 -5.468 -1.698 -5.858 1.00 0.00 C ATOM 225 OE1 GLU W 466 -5.407 -0.468 -6.067 1.00 0.00 O ATOM 226 OE2 GLU W 466 -5.546 -2.546 -6.773 1.00 0.00 O ATOM 0 H GLU W 466 -2.307 -3.450 -1.920 1.00 0.00 H new ATOM 0 HA GLU W 466 -3.585 -3.918 -4.495 1.00 0.00 H new ATOM 0 HB2 GLU W 466 -4.273 -1.695 -2.706 1.00 0.00 H new ATOM 0 HB3 GLU W 466 -3.608 -1.116 -4.221 1.00 0.00 H new ATOM 0 HG2 GLU W 466 -5.689 -3.251 -4.404 1.00 0.00 H new ATOM 0 HG3 GLU W 466 -6.226 -1.675 -3.858 1.00 0.00 H new ATOM 233 N GLU W 467 -1.573 -2.948 -5.609 1.00 0.00 N ATOM 234 CA GLU W 467 -0.306 -2.572 -6.223 1.00 0.00 C ATOM 235 C GLU W 467 -0.393 -1.169 -6.820 1.00 0.00 C ATOM 236 O GLU W 467 -0.963 -0.977 -7.894 1.00 0.00 O ATOM 237 CB GLU W 467 0.077 -3.581 -7.308 1.00 0.00 C ATOM 238 CG GLU W 467 -0.872 -3.586 -8.496 1.00 0.00 C ATOM 239 CD GLU W 467 -1.237 -4.987 -8.947 1.00 0.00 C ATOM 240 OE1 GLU W 467 -0.461 -5.580 -9.726 1.00 0.00 O ATOM 241 OE2 GLU W 467 -2.298 -5.490 -8.521 1.00 0.00 O ATOM 0 H GLU W 467 -2.246 -3.366 -6.252 1.00 0.00 H new ATOM 0 HA GLU W 467 0.463 -2.574 -5.451 1.00 0.00 H new ATOM 0 HB2 GLU W 467 1.085 -3.359 -7.659 1.00 0.00 H new ATOM 0 HB3 GLU W 467 0.104 -4.579 -6.871 1.00 0.00 H new ATOM 0 HG2 GLU W 467 -1.781 -3.045 -8.232 1.00 0.00 H new ATOM 0 HG3 GLU W 467 -0.412 -3.050 -9.326 1.00 0.00 H new ATOM 248 N ARG W 468 0.174 -0.193 -6.119 1.00 0.00 N ATOM 249 CA ARG W 468 0.159 1.192 -6.581 1.00 0.00 C ATOM 250 C ARG W 468 1.548 1.627 -7.036 1.00 0.00 C ATOM 251 O ARG W 468 2.554 1.229 -6.450 1.00 0.00 O ATOM 252 CB ARG W 468 -0.341 2.119 -5.471 1.00 0.00 C ATOM 253 CG ARG W 468 -1.848 2.313 -5.471 1.00 0.00 C ATOM 254 CD ARG W 468 -2.235 3.662 -6.056 1.00 0.00 C ATOM 255 NE ARG W 468 -1.851 3.781 -7.461 1.00 0.00 N ATOM 256 CZ ARG W 468 -2.573 3.296 -8.466 1.00 0.00 C ATOM 257 NH1 ARG W 468 -3.707 2.652 -8.223 1.00 0.00 N ATOM 258 NH2 ARG W 468 -2.162 3.453 -9.717 1.00 0.00 N ATOM 0 H ARG W 468 0.650 -0.335 -5.228 1.00 0.00 H new ATOM 0 HA ARG W 468 -0.520 1.258 -7.431 1.00 0.00 H new ATOM 0 HB2 ARG W 468 -0.036 1.714 -4.506 1.00 0.00 H new ATOM 0 HB3 ARG W 468 0.142 3.091 -5.576 1.00 0.00 H new ATOM 0 HG2 ARG W 468 -2.319 1.517 -6.047 1.00 0.00 H new ATOM 0 HG3 ARG W 468 -2.226 2.235 -4.452 1.00 0.00 H new ATOM 0 HD2 ARG W 468 -3.312 3.802 -5.962 1.00 0.00 H new ATOM 0 HD3 ARG W 468 -1.758 4.456 -5.482 1.00 0.00 H new ATOM 0 HE ARG W 468 -0.980 4.263 -7.683 1.00 0.00 H new ATOM 0 HH11 ARG W 468 -4.027 2.528 -7.263 1.00 0.00 H new ATOM 0 HH12 ARG W 468 -4.259 2.281 -8.997 1.00 0.00 H new ATOM 0 HH21 ARG W 468 -1.290 3.947 -9.909 1.00 0.00 H new ATOM 0 HH22 ARG W 468 -2.717 3.080 -10.487 1.00 0.00 H new ATOM 272 N THR W 469 1.598 2.440 -8.084 1.00 0.00 N ATOM 273 CA THR W 469 2.868 2.921 -8.617 1.00 0.00 C ATOM 274 C THR W 469 3.378 4.126 -7.831 1.00 0.00 C ATOM 275 O THR W 469 2.651 5.097 -7.620 1.00 0.00 O ATOM 276 CB THR W 469 2.745 3.307 -10.101 1.00 0.00 C ATOM 277 OG1 THR W 469 3.996 3.812 -10.581 1.00 0.00 O ATOM 278 CG2 THR W 469 1.660 4.355 -10.299 1.00 0.00 C ATOM 0 H THR W 469 0.775 2.780 -8.582 1.00 0.00 H new ATOM 0 HA THR W 469 3.579 2.101 -8.520 1.00 0.00 H new ATOM 0 HB THR W 469 2.474 2.414 -10.665 1.00 0.00 H new ATOM 0 HG1 THR W 469 3.910 4.054 -11.527 1.00 0.00 H new ATOM 0 HG21 THR W 469 1.591 4.612 -11.356 1.00 0.00 H new ATOM 0 HG22 THR W 469 0.704 3.957 -9.959 1.00 0.00 H new ATOM 0 HG23 THR W 469 1.907 5.247 -9.724 1.00 0.00 H new ATOM 286 N HIS W 470 4.635 4.055 -7.406 1.00 0.00 N ATOM 287 CA HIS W 470 5.248 5.139 -6.647 1.00 0.00 C ATOM 288 C HIS W 470 5.655 6.282 -7.570 1.00 0.00 C ATOM 289 O HIS W 470 5.758 6.106 -8.785 1.00 0.00 O ATOM 290 CB HIS W 470 6.470 4.625 -5.882 1.00 0.00 C ATOM 291 CG HIS W 470 6.967 5.572 -4.836 1.00 0.00 C ATOM 292 ND1 HIS W 470 6.250 5.817 -3.690 1.00 0.00 N ATOM 293 CD2 HIS W 470 8.110 6.301 -4.806 1.00 0.00 C ATOM 294 CE1 HIS W 470 6.965 6.681 -2.993 1.00 0.00 C ATOM 295 NE2 HIS W 470 8.101 7.003 -3.629 1.00 0.00 N ATOM 0 H HIS W 470 5.249 3.258 -7.574 1.00 0.00 H new ATOM 0 HA HIS W 470 4.514 5.514 -5.934 1.00 0.00 H new ATOM 0 HB2 HIS W 470 6.219 3.675 -5.410 1.00 0.00 H new ATOM 0 HB3 HIS W 470 7.274 4.426 -6.591 1.00 0.00 H new ATOM 0 HD2 HIS W 470 8.879 6.324 -5.564 1.00 0.00 H new ATOM 0 HE1 HIS W 470 6.672 7.078 -2.032 1.00 0.00 H new ATOM 0 HE2 HIS W 470 8.820 7.647 -3.300 1.00 0.00 H new ATOM 303 N THR W 471 5.889 7.454 -6.989 1.00 0.00 N ATOM 304 CA THR W 471 6.286 8.622 -7.765 1.00 0.00 C ATOM 305 C THR W 471 7.553 8.345 -8.569 1.00 0.00 C ATOM 306 O THR W 471 7.813 8.995 -9.582 1.00 0.00 O ATOM 307 CB THR W 471 6.523 9.846 -6.859 1.00 0.00 C ATOM 308 OG1 THR W 471 5.384 10.060 -6.016 1.00 0.00 O ATOM 309 CG2 THR W 471 6.783 11.093 -7.692 1.00 0.00 C ATOM 0 H THR W 471 5.811 7.620 -5.986 1.00 0.00 H new ATOM 0 HA THR W 471 5.466 8.840 -8.449 1.00 0.00 H new ATOM 0 HB THR W 471 7.400 9.649 -6.242 1.00 0.00 H new ATOM 0 HG1 THR W 471 5.543 10.838 -5.442 1.00 0.00 H new ATOM 0 HG21 THR W 471 6.947 11.944 -7.031 1.00 0.00 H new ATOM 0 HG22 THR W 471 7.666 10.939 -8.312 1.00 0.00 H new ATOM 0 HG23 THR W 471 5.922 11.290 -8.330 1.00 0.00 H new ATOM 317 N ASP W 472 8.339 7.374 -8.111 1.00 0.00 N ATOM 318 CA ASP W 472 9.579 7.008 -8.787 1.00 0.00 C ATOM 319 C ASP W 472 9.345 5.932 -9.848 1.00 0.00 C ATOM 320 O ASP W 472 10.225 5.653 -10.661 1.00 0.00 O ATOM 321 CB ASP W 472 10.610 6.514 -7.770 1.00 0.00 C ATOM 322 CG ASP W 472 11.140 7.631 -6.894 1.00 0.00 C ATOM 323 OD1 ASP W 472 11.361 8.744 -7.419 1.00 0.00 O ATOM 324 OD2 ASP W 472 11.337 7.395 -5.684 1.00 0.00 O ATOM 0 H ASP W 472 8.138 6.827 -7.274 1.00 0.00 H new ATOM 0 HA ASP W 472 9.958 7.900 -9.286 1.00 0.00 H new ATOM 0 HB2 ASP W 472 10.157 5.747 -7.142 1.00 0.00 H new ATOM 0 HB3 ASP W 472 11.440 6.045 -8.298 1.00 0.00 H new ATOM 329 N GLY W 473 8.158 5.328 -9.839 1.00 0.00 N ATOM 330 CA GLY W 473 7.846 4.294 -10.808 1.00 0.00 C ATOM 331 C GLY W 473 7.770 2.912 -10.186 1.00 0.00 C ATOM 332 O GLY W 473 7.193 1.995 -10.771 1.00 0.00 O ATOM 0 H GLY W 473 7.409 5.537 -9.179 1.00 0.00 H new ATOM 0 HA2 GLY W 473 6.894 4.525 -11.286 1.00 0.00 H new ATOM 0 HA3 GLY W 473 8.605 4.294 -11.591 1.00 0.00 H new ATOM 336 N ARG W 474 8.344 2.762 -8.997 1.00 0.00 N ATOM 337 CA ARG W 474 8.330 1.483 -8.296 1.00 0.00 C ATOM 338 C ARG W 474 6.967 1.241 -7.655 1.00 0.00 C ATOM 339 O ARG W 474 6.499 2.046 -6.850 1.00 0.00 O ATOM 340 CB ARG W 474 9.426 1.448 -7.230 1.00 0.00 C ATOM 341 CG ARG W 474 10.778 1.002 -7.763 1.00 0.00 C ATOM 342 CD ARG W 474 11.858 2.034 -7.481 1.00 0.00 C ATOM 343 NE ARG W 474 12.870 2.068 -8.534 1.00 0.00 N ATOM 344 CZ ARG W 474 14.040 2.687 -8.413 1.00 0.00 C ATOM 345 NH1 ARG W 474 14.348 3.316 -7.287 1.00 0.00 N ATOM 346 NH2 ARG W 474 14.905 2.675 -9.418 1.00 0.00 N ATOM 0 H ARG W 474 8.825 3.511 -8.498 1.00 0.00 H new ATOM 0 HA ARG W 474 8.520 0.691 -9.021 1.00 0.00 H new ATOM 0 HB2 ARG W 474 9.527 2.441 -6.792 1.00 0.00 H new ATOM 0 HB3 ARG W 474 9.121 0.775 -6.429 1.00 0.00 H new ATOM 0 HG2 ARG W 474 11.054 0.051 -7.307 1.00 0.00 H new ATOM 0 HG3 ARG W 474 10.708 0.832 -8.837 1.00 0.00 H new ATOM 0 HD2 ARG W 474 11.402 3.019 -7.385 1.00 0.00 H new ATOM 0 HD3 ARG W 474 12.335 1.809 -6.527 1.00 0.00 H new ATOM 0 HE ARG W 474 12.667 1.590 -9.412 1.00 0.00 H new ATOM 0 HH11 ARG W 474 13.686 3.326 -6.511 1.00 0.00 H new ATOM 0 HH12 ARG W 474 15.247 3.790 -7.197 1.00 0.00 H new ATOM 0 HH21 ARG W 474 14.673 2.190 -10.285 1.00 0.00 H new ATOM 0 HH22 ARG W 474 15.803 3.150 -9.324 1.00 0.00 H new ATOM 360 N VAL W 475 6.327 0.135 -8.024 1.00 0.00 N ATOM 361 CA VAL W 475 5.012 -0.198 -7.490 1.00 0.00 C ATOM 362 C VAL W 475 5.109 -0.793 -6.087 1.00 0.00 C ATOM 363 O VAL W 475 5.599 -1.907 -5.903 1.00 0.00 O ATOM 364 CB VAL W 475 4.274 -1.188 -8.409 1.00 0.00 C ATOM 365 CG1 VAL W 475 5.007 -2.536 -8.439 1.00 0.00 C ATOM 366 CG2 VAL W 475 2.806 -1.315 -7.979 1.00 0.00 C ATOM 0 H VAL W 475 6.697 -0.544 -8.689 1.00 0.00 H new ATOM 0 HA VAL W 475 4.449 0.734 -7.438 1.00 0.00 H new ATOM 0 HB VAL W 475 4.273 -0.809 -9.431 1.00 0.00 H new ATOM 0 HG11 VAL W 475 4.473 -3.226 -9.093 1.00 0.00 H new ATOM 0 HG12 VAL W 475 6.020 -2.391 -8.814 1.00 0.00 H new ATOM 0 HG13 VAL W 475 5.049 -2.950 -7.432 1.00 0.00 H new ATOM 0 HG21 VAL W 475 2.294 -2.018 -8.636 1.00 0.00 H new ATOM 0 HG22 VAL W 475 2.758 -1.677 -6.952 1.00 0.00 H new ATOM 0 HG23 VAL W 475 2.322 -0.340 -8.043 1.00 0.00 H new ATOM 376 N PHE W 476 4.627 -0.040 -5.102 1.00 0.00 N ATOM 377 CA PHE W 476 4.645 -0.485 -3.713 1.00 0.00 C ATOM 378 C PHE W 476 3.366 -1.241 -3.365 1.00 0.00 C ATOM 379 O PHE W 476 2.439 -1.318 -4.173 1.00 0.00 O ATOM 380 CB PHE W 476 4.811 0.712 -2.777 1.00 0.00 C ATOM 381 CG PHE W 476 3.660 1.674 -2.829 1.00 0.00 C ATOM 382 CD1 PHE W 476 2.557 1.499 -2.010 1.00 0.00 C ATOM 383 CD2 PHE W 476 3.681 2.752 -3.700 1.00 0.00 C ATOM 384 CE1 PHE W 476 1.495 2.382 -2.057 1.00 0.00 C ATOM 385 CE2 PHE W 476 2.621 3.639 -3.751 1.00 0.00 C ATOM 386 CZ PHE W 476 1.528 3.453 -2.929 1.00 0.00 C ATOM 0 H PHE W 476 4.218 0.884 -5.242 1.00 0.00 H new ATOM 0 HA PHE W 476 5.491 -1.161 -3.586 1.00 0.00 H new ATOM 0 HB2 PHE W 476 4.927 0.351 -1.755 1.00 0.00 H new ATOM 0 HB3 PHE W 476 5.729 1.241 -3.035 1.00 0.00 H new ATOM 0 HD1 PHE W 476 2.526 0.663 -1.327 1.00 0.00 H new ATOM 0 HD2 PHE W 476 4.534 2.901 -4.346 1.00 0.00 H new ATOM 0 HE1 PHE W 476 0.641 2.235 -1.413 1.00 0.00 H new ATOM 0 HE2 PHE W 476 2.649 4.476 -4.433 1.00 0.00 H new ATOM 0 HZ PHE W 476 0.699 4.144 -2.967 1.00 0.00 H new ATOM 396 N PHE W 477 3.318 -1.788 -2.155 1.00 0.00 N ATOM 397 CA PHE W 477 2.148 -2.529 -1.692 1.00 0.00 C ATOM 398 C PHE W 477 1.370 -1.717 -0.660 1.00 0.00 C ATOM 399 O PHE W 477 1.956 -0.955 0.110 1.00 0.00 O ATOM 400 CB PHE W 477 2.578 -3.871 -1.094 1.00 0.00 C ATOM 401 CG PHE W 477 3.236 -4.784 -2.090 1.00 0.00 C ATOM 402 CD1 PHE W 477 4.472 -4.465 -2.629 1.00 0.00 C ATOM 403 CD2 PHE W 477 2.619 -5.959 -2.486 1.00 0.00 C ATOM 404 CE1 PHE W 477 5.080 -5.303 -3.546 1.00 0.00 C ATOM 405 CE2 PHE W 477 3.221 -6.800 -3.402 1.00 0.00 C ATOM 406 CZ PHE W 477 4.454 -6.471 -3.932 1.00 0.00 C ATOM 0 H PHE W 477 4.077 -1.733 -1.475 1.00 0.00 H new ATOM 0 HA PHE W 477 1.496 -2.714 -2.546 1.00 0.00 H new ATOM 0 HB2 PHE W 477 3.266 -3.689 -0.269 1.00 0.00 H new ATOM 0 HB3 PHE W 477 1.704 -4.371 -0.676 1.00 0.00 H new ATOM 0 HD1 PHE W 477 4.966 -3.552 -2.330 1.00 0.00 H new ATOM 0 HD2 PHE W 477 1.656 -6.221 -2.074 1.00 0.00 H new ATOM 0 HE1 PHE W 477 6.043 -5.044 -3.960 1.00 0.00 H new ATOM 0 HE2 PHE W 477 2.729 -7.713 -3.703 1.00 0.00 H new ATOM 0 HZ PHE W 477 4.927 -7.127 -4.647 1.00 0.00 H new ATOM 416 N ILE W 478 0.048 -1.876 -0.648 1.00 0.00 N ATOM 417 CA ILE W 478 -0.797 -1.143 0.294 1.00 0.00 C ATOM 418 C ILE W 478 -2.025 -1.952 0.694 1.00 0.00 C ATOM 419 O ILE W 478 -2.787 -2.397 -0.159 1.00 0.00 O ATOM 420 CB ILE W 478 -1.262 0.209 -0.301 1.00 0.00 C ATOM 421 CG1 ILE W 478 -1.974 1.062 0.760 1.00 0.00 C ATOM 422 CG2 ILE W 478 -2.177 -0.024 -1.493 1.00 0.00 C ATOM 423 CD1 ILE W 478 -2.688 2.285 0.200 1.00 0.00 C ATOM 0 H ILE W 478 -0.459 -2.501 -1.275 1.00 0.00 H new ATOM 0 HA ILE W 478 -0.187 -0.959 1.178 1.00 0.00 H new ATOM 0 HB ILE W 478 -0.379 0.753 -0.637 1.00 0.00 H new ATOM 0 HG12 ILE W 478 -2.699 0.440 1.284 1.00 0.00 H new ATOM 0 HG13 ILE W 478 -1.242 1.389 1.499 1.00 0.00 H new ATOM 0 HG21 ILE W 478 -2.495 0.936 -1.900 1.00 0.00 H new ATOM 0 HG22 ILE W 478 -1.641 -0.583 -2.259 1.00 0.00 H new ATOM 0 HG23 ILE W 478 -3.052 -0.591 -1.175 1.00 0.00 H new ATOM 0 HD11 ILE W 478 -3.164 2.832 1.013 1.00 0.00 H new ATOM 0 HD12 ILE W 478 -1.966 2.932 -0.298 1.00 0.00 H new ATOM 0 HD13 ILE W 478 -3.446 1.968 -0.516 1.00 0.00 H new ATOM 435 N ASN W 479 -2.218 -2.132 1.996 1.00 0.00 N ATOM 436 CA ASN W 479 -3.362 -2.883 2.499 1.00 0.00 C ATOM 437 C ASN W 479 -4.519 -1.948 2.848 1.00 0.00 C ATOM 438 O ASN W 479 -4.306 -0.797 3.229 1.00 0.00 O ATOM 439 CB ASN W 479 -2.957 -3.713 3.721 1.00 0.00 C ATOM 440 CG ASN W 479 -2.767 -2.870 4.968 1.00 0.00 C ATOM 441 OD1 ASN W 479 -2.721 -1.642 4.900 1.00 0.00 O ATOM 442 ND2 ASN W 479 -2.655 -3.528 6.116 1.00 0.00 N ATOM 0 H ASN W 479 -1.599 -1.769 2.721 1.00 0.00 H new ATOM 0 HA ASN W 479 -3.699 -3.558 1.713 1.00 0.00 H new ATOM 0 HB2 ASN W 479 -3.720 -4.468 3.911 1.00 0.00 H new ATOM 0 HB3 ASN W 479 -2.031 -4.244 3.503 1.00 0.00 H new ATOM 0 HD21 ASN W 479 -2.525 -3.014 6.988 1.00 0.00 H new ATOM 0 HD22 ASN W 479 -2.699 -4.547 6.126 1.00 0.00 H new ATOM 449 N HIS W 480 -5.742 -2.451 2.710 1.00 0.00 N ATOM 450 CA HIS W 480 -6.933 -1.661 3.006 1.00 0.00 C ATOM 451 C HIS W 480 -7.474 -1.958 4.405 1.00 0.00 C ATOM 452 O HIS W 480 -8.296 -1.207 4.930 1.00 0.00 O ATOM 453 CB HIS W 480 -8.019 -1.930 1.962 1.00 0.00 C ATOM 454 CG HIS W 480 -7.798 -1.206 0.671 1.00 0.00 C ATOM 455 ND1 HIS W 480 -8.813 -0.522 0.049 1.00 0.00 N ATOM 456 CD2 HIS W 480 -6.668 -1.091 -0.070 1.00 0.00 C ATOM 457 CE1 HIS W 480 -8.285 -0.008 -1.049 1.00 0.00 C ATOM 458 NE2 HIS W 480 -6.987 -0.327 -1.163 1.00 0.00 N ATOM 0 H HIS W 480 -5.935 -3.402 2.395 1.00 0.00 H new ATOM 0 HA HIS W 480 -6.647 -0.610 2.972 1.00 0.00 H new ATOM 0 HB2 HIS W 480 -8.066 -3.001 1.765 1.00 0.00 H new ATOM 0 HB3 HIS W 480 -8.986 -1.639 2.372 1.00 0.00 H new ATOM 0 HD2 HIS W 480 -5.703 -1.519 0.157 1.00 0.00 H new ATOM 0 HE1 HIS W 480 -8.829 0.592 -1.763 1.00 0.00 H new ATOM 0 HE2 HIS W 480 -6.358 -0.054 -1.918 1.00 0.00 H new ATOM 466 N ASN W 481 -7.016 -3.052 5.007 1.00 0.00 N ATOM 467 CA ASN W 481 -7.470 -3.426 6.345 1.00 0.00 C ATOM 468 C ASN W 481 -7.309 -2.258 7.313 1.00 0.00 C ATOM 469 O ASN W 481 -8.232 -1.920 8.054 1.00 0.00 O ATOM 470 CB ASN W 481 -6.693 -4.638 6.871 1.00 0.00 C ATOM 471 CG ASN W 481 -6.412 -5.670 5.798 1.00 0.00 C ATOM 472 OD1 ASN W 481 -5.200 -5.639 5.258 1.00 0.00 O flip ATOM 473 ND2 ASN W 481 -7.270 -6.485 5.458 1.00 0.00 N flip ATOM 0 H ASN W 481 -6.336 -3.691 4.595 1.00 0.00 H new ATOM 0 HA ASN W 481 -8.525 -3.690 6.274 1.00 0.00 H new ATOM 0 HB2 ASN W 481 -5.749 -4.300 7.299 1.00 0.00 H new ATOM 0 HB3 ASN W 481 -7.260 -5.104 7.677 1.00 0.00 H new ATOM 0 HD21 ASN W 481 -8.189 -6.472 5.900 1.00 0.00 H new ATOM 0 HD22 ASN W 481 -7.062 -7.173 4.734 1.00 0.00 H new ATOM 480 N ILE W 482 -6.129 -1.647 7.301 1.00 0.00 N ATOM 481 CA ILE W 482 -5.842 -0.519 8.177 1.00 0.00 C ATOM 482 C ILE W 482 -5.159 0.609 7.413 1.00 0.00 C ATOM 483 O ILE W 482 -4.434 1.416 7.993 1.00 0.00 O ATOM 484 CB ILE W 482 -4.948 -0.936 9.362 1.00 0.00 C ATOM 485 CG1 ILE W 482 -3.887 -1.939 8.906 1.00 0.00 C ATOM 486 CG2 ILE W 482 -5.792 -1.522 10.483 1.00 0.00 C ATOM 487 CD1 ILE W 482 -2.872 -2.272 9.977 1.00 0.00 C ATOM 0 H ILE W 482 -5.355 -1.915 6.693 1.00 0.00 H new ATOM 0 HA ILE W 482 -6.799 -0.168 8.562 1.00 0.00 H new ATOM 0 HB ILE W 482 -4.440 -0.049 9.741 1.00 0.00 H new ATOM 0 HG12 ILE W 482 -4.380 -2.857 8.586 1.00 0.00 H new ATOM 0 HG13 ILE W 482 -3.367 -1.536 8.037 1.00 0.00 H new ATOM 0 HG21 ILE W 482 -5.146 -1.811 11.312 1.00 0.00 H new ATOM 0 HG22 ILE W 482 -6.510 -0.777 10.826 1.00 0.00 H new ATOM 0 HG23 ILE W 482 -6.326 -2.399 10.116 1.00 0.00 H new ATOM 0 HD11 ILE W 482 -2.150 -2.988 9.584 1.00 0.00 H new ATOM 0 HD12 ILE W 482 -2.352 -1.363 10.281 1.00 0.00 H new ATOM 0 HD13 ILE W 482 -3.381 -2.705 10.839 1.00 0.00 H new ATOM 499 N LYS W 483 -5.396 0.658 6.102 1.00 0.00 N ATOM 500 CA LYS W 483 -4.808 1.687 5.244 1.00 0.00 C ATOM 501 C LYS W 483 -3.346 1.951 5.605 1.00 0.00 C ATOM 502 O LYS W 483 -3.032 2.926 6.290 1.00 0.00 O ATOM 503 CB LYS W 483 -5.611 2.985 5.351 1.00 0.00 C ATOM 504 CG LYS W 483 -6.997 2.897 4.729 1.00 0.00 C ATOM 505 CD LYS W 483 -7.823 1.788 5.360 1.00 0.00 C ATOM 506 CE LYS W 483 -9.301 2.141 5.392 1.00 0.00 C ATOM 507 NZ LYS W 483 -10.162 0.948 5.157 1.00 0.00 N ATOM 0 H LYS W 483 -5.994 -0.006 5.609 1.00 0.00 H new ATOM 0 HA LYS W 483 -4.842 1.322 4.218 1.00 0.00 H new ATOM 0 HB2 LYS W 483 -5.710 3.255 6.402 1.00 0.00 H new ATOM 0 HB3 LYS W 483 -5.055 3.788 4.867 1.00 0.00 H new ATOM 0 HG2 LYS W 483 -7.512 3.850 4.851 1.00 0.00 H new ATOM 0 HG3 LYS W 483 -6.905 2.719 3.658 1.00 0.00 H new ATOM 0 HD2 LYS W 483 -7.681 0.864 4.800 1.00 0.00 H new ATOM 0 HD3 LYS W 483 -7.470 1.603 6.375 1.00 0.00 H new ATOM 0 HE2 LYS W 483 -9.548 2.583 6.357 1.00 0.00 H new ATOM 0 HE3 LYS W 483 -9.511 2.895 4.634 1.00 0.00 H new ATOM 0 HZ1 LYS W 483 -10.694 1.073 4.272 1.00 0.00 H new ATOM 0 HZ2 LYS W 483 -9.566 0.099 5.086 1.00 0.00 H new ATOM 0 HZ3 LYS W 483 -10.827 0.839 5.949 1.00 0.00 H new ATOM 521 N LYS W 484 -2.457 1.077 5.143 1.00 0.00 N ATOM 522 CA LYS W 484 -1.031 1.218 5.419 1.00 0.00 C ATOM 523 C LYS W 484 -0.191 0.595 4.307 1.00 0.00 C ATOM 524 O LYS W 484 -0.299 -0.599 4.030 1.00 0.00 O ATOM 525 CB LYS W 484 -0.684 0.567 6.759 1.00 0.00 C ATOM 526 CG LYS W 484 0.247 1.404 7.621 1.00 0.00 C ATOM 527 CD LYS W 484 0.941 0.556 8.674 1.00 0.00 C ATOM 528 CE LYS W 484 1.934 1.376 9.482 1.00 0.00 C ATOM 529 NZ LYS W 484 3.270 1.431 8.829 1.00 0.00 N ATOM 0 H LYS W 484 -2.699 0.264 4.576 1.00 0.00 H new ATOM 0 HA LYS W 484 -0.802 2.283 5.467 1.00 0.00 H new ATOM 0 HB2 LYS W 484 -1.605 0.379 7.311 1.00 0.00 H new ATOM 0 HB3 LYS W 484 -0.220 -0.402 6.573 1.00 0.00 H new ATOM 0 HG2 LYS W 484 0.994 1.886 6.990 1.00 0.00 H new ATOM 0 HG3 LYS W 484 -0.320 2.198 8.107 1.00 0.00 H new ATOM 0 HD2 LYS W 484 0.197 0.122 9.342 1.00 0.00 H new ATOM 0 HD3 LYS W 484 1.459 -0.273 8.192 1.00 0.00 H new ATOM 0 HE2 LYS W 484 1.550 2.388 9.609 1.00 0.00 H new ATOM 0 HE3 LYS W 484 2.034 0.946 10.478 1.00 0.00 H new ATOM 0 HZ1 LYS W 484 3.918 1.999 9.411 1.00 0.00 H new ATOM 0 HZ2 LYS W 484 3.648 0.467 8.730 1.00 0.00 H new ATOM 0 HZ3 LYS W 484 3.179 1.865 7.888 1.00 0.00 H new ATOM 543 N THR W 485 0.647 1.412 3.676 1.00 0.00 N ATOM 544 CA THR W 485 1.509 0.939 2.597 1.00 0.00 C ATOM 545 C THR W 485 2.923 0.657 3.097 1.00 0.00 C ATOM 546 O THR W 485 3.303 1.078 4.190 1.00 0.00 O ATOM 547 CB THR W 485 1.580 1.949 1.431 1.00 0.00 C ATOM 548 OG1 THR W 485 2.749 1.702 0.642 1.00 0.00 O ATOM 549 CG2 THR W 485 1.604 3.381 1.943 1.00 0.00 C ATOM 0 H THR W 485 0.748 2.404 3.893 1.00 0.00 H new ATOM 0 HA THR W 485 1.063 0.013 2.233 1.00 0.00 H new ATOM 0 HB THR W 485 0.688 1.819 0.818 1.00 0.00 H new ATOM 0 HG1 THR W 485 2.554 1.890 -0.300 1.00 0.00 H new ATOM 0 HG21 THR W 485 1.654 4.068 1.099 1.00 0.00 H new ATOM 0 HG22 THR W 485 0.699 3.577 2.517 1.00 0.00 H new ATOM 0 HG23 THR W 485 2.476 3.525 2.580 1.00 0.00 H new ATOM 557 N GLN W 486 3.697 -0.064 2.290 1.00 0.00 N ATOM 558 CA GLN W 486 5.067 -0.409 2.648 1.00 0.00 C ATOM 559 C GLN W 486 5.879 -0.759 1.404 1.00 0.00 C ATOM 560 O GLN W 486 5.336 -1.247 0.412 1.00 0.00 O ATOM 561 CB GLN W 486 5.071 -1.589 3.617 1.00 0.00 C ATOM 562 CG GLN W 486 4.130 -2.704 3.200 1.00 0.00 C ATOM 563 CD GLN W 486 4.535 -4.050 3.760 1.00 0.00 C ATOM 564 OE1 GLN W 486 4.216 -4.385 4.901 1.00 0.00 O ATOM 565 NE2 GLN W 486 5.245 -4.830 2.956 1.00 0.00 N ATOM 0 H GLN W 486 3.397 -0.420 1.383 1.00 0.00 H new ATOM 0 HA GLN W 486 5.525 0.455 3.129 1.00 0.00 H new ATOM 0 HB2 GLN W 486 6.083 -1.985 3.693 1.00 0.00 H new ATOM 0 HB3 GLN W 486 4.791 -1.237 4.610 1.00 0.00 H new ATOM 0 HG2 GLN W 486 3.120 -2.465 3.534 1.00 0.00 H new ATOM 0 HG3 GLN W 486 4.101 -2.762 2.112 1.00 0.00 H new ATOM 0 HE21 GLN W 486 5.486 -4.511 2.018 1.00 0.00 H new ATOM 0 HE22 GLN W 486 5.550 -5.749 3.276 1.00 0.00 H new ATOM 574 N TRP W 487 7.183 -0.506 1.463 1.00 0.00 N ATOM 575 CA TRP W 487 8.072 -0.792 0.342 1.00 0.00 C ATOM 576 C TRP W 487 8.295 -2.293 0.183 1.00 0.00 C ATOM 577 O TRP W 487 8.265 -2.821 -0.929 1.00 0.00 O ATOM 578 CB TRP W 487 9.415 -0.088 0.539 1.00 0.00 C ATOM 579 CG TRP W 487 9.480 1.256 -0.118 1.00 0.00 C ATOM 580 CD1 TRP W 487 9.899 2.427 0.447 1.00 0.00 C ATOM 581 CD2 TRP W 487 9.110 1.570 -1.465 1.00 0.00 C ATOM 582 NE1 TRP W 487 9.812 3.448 -0.467 1.00 0.00 N ATOM 583 CE2 TRP W 487 9.331 2.947 -1.649 1.00 0.00 C ATOM 584 CE3 TRP W 487 8.614 0.818 -2.533 1.00 0.00 C ATOM 585 CZ2 TRP W 487 9.073 3.588 -2.858 1.00 0.00 C ATOM 586 CZ3 TRP W 487 8.359 1.455 -3.733 1.00 0.00 C ATOM 587 CH2 TRP W 487 8.588 2.827 -3.887 1.00 0.00 C ATOM 0 H TRP W 487 7.648 -0.103 2.276 1.00 0.00 H new ATOM 0 HA TRP W 487 7.597 -0.418 -0.565 1.00 0.00 H new ATOM 0 HB2 TRP W 487 9.604 0.027 1.606 1.00 0.00 H new ATOM 0 HB3 TRP W 487 10.210 -0.718 0.141 1.00 0.00 H new ATOM 0 HD1 TRP W 487 10.248 2.534 1.464 1.00 0.00 H new ATOM 0 HE1 TRP W 487 10.064 4.421 -0.295 1.00 0.00 H new ATOM 0 HE3 TRP W 487 8.433 -0.241 -2.423 1.00 0.00 H new ATOM 0 HZ2 TRP W 487 9.249 4.647 -2.979 1.00 0.00 H new ATOM 0 HZ3 TRP W 487 7.976 0.884 -4.566 1.00 0.00 H new ATOM 0 HH2 TRP W 487 8.378 3.295 -4.837 1.00 0.00 H new ATOM 598 N GLU W 488 8.525 -2.974 1.301 1.00 0.00 N ATOM 599 CA GLU W 488 8.763 -4.413 1.286 1.00 0.00 C ATOM 600 C GLU W 488 7.551 -5.165 0.745 1.00 0.00 C ATOM 601 O GLU W 488 6.441 -4.635 0.712 1.00 0.00 O ATOM 602 CB GLU W 488 9.101 -4.908 2.693 1.00 0.00 C ATOM 603 CG GLU W 488 10.295 -5.848 2.735 1.00 0.00 C ATOM 604 CD GLU W 488 11.123 -5.685 3.994 1.00 0.00 C ATOM 605 OE1 GLU W 488 10.691 -4.937 4.896 1.00 0.00 O ATOM 606 OE2 GLU W 488 12.204 -6.303 4.078 1.00 0.00 O ATOM 0 H GLU W 488 8.552 -2.552 2.229 1.00 0.00 H new ATOM 0 HA GLU W 488 9.608 -4.608 0.626 1.00 0.00 H new ATOM 0 HB2 GLU W 488 9.302 -4.049 3.333 1.00 0.00 H new ATOM 0 HB3 GLU W 488 8.232 -5.418 3.108 1.00 0.00 H new ATOM 0 HG2 GLU W 488 9.944 -6.878 2.666 1.00 0.00 H new ATOM 0 HG3 GLU W 488 10.925 -5.667 1.864 1.00 0.00 H new ATOM 613 N ASP W 489 7.775 -6.407 0.324 1.00 0.00 N ATOM 614 CA ASP W 489 6.706 -7.238 -0.215 1.00 0.00 C ATOM 615 C ASP W 489 6.063 -8.079 0.889 1.00 0.00 C ATOM 616 O ASP W 489 6.687 -9.001 1.416 1.00 0.00 O ATOM 617 CB ASP W 489 7.253 -8.153 -1.312 1.00 0.00 C ATOM 618 CG ASP W 489 7.523 -7.407 -2.604 1.00 0.00 C ATOM 619 OD1 ASP W 489 7.465 -6.159 -2.592 1.00 0.00 O ATOM 620 OD2 ASP W 489 7.792 -8.070 -3.627 1.00 0.00 O ATOM 0 H ASP W 489 8.689 -6.859 0.346 1.00 0.00 H new ATOM 0 HA ASP W 489 5.945 -6.583 -0.640 1.00 0.00 H new ATOM 0 HB2 ASP W 489 8.175 -8.620 -0.966 1.00 0.00 H new ATOM 0 HB3 ASP W 489 6.540 -8.956 -1.501 1.00 0.00 H new ATOM 625 N PRO W 490 4.806 -7.776 1.258 1.00 0.00 N ATOM 626 CA PRO W 490 4.093 -8.516 2.305 1.00 0.00 C ATOM 627 C PRO W 490 3.709 -9.921 1.860 1.00 0.00 C ATOM 628 O PRO W 490 3.650 -10.847 2.669 1.00 0.00 O ATOM 629 CB PRO W 490 2.841 -7.671 2.545 1.00 0.00 C ATOM 630 CG PRO W 490 2.614 -6.966 1.255 1.00 0.00 C ATOM 631 CD PRO W 490 3.980 -6.695 0.688 1.00 0.00 C ATOM 0 HA PRO W 490 4.706 -8.657 3.195 1.00 0.00 H new ATOM 0 HB2 PRO W 490 1.987 -8.294 2.813 1.00 0.00 H new ATOM 0 HB3 PRO W 490 2.989 -6.965 3.362 1.00 0.00 H new ATOM 0 HG2 PRO W 490 2.023 -7.578 0.574 1.00 0.00 H new ATOM 0 HG3 PRO W 490 2.064 -6.038 1.409 1.00 0.00 H new ATOM 0 HD2 PRO W 490 3.976 -6.724 -0.402 1.00 0.00 H new ATOM 0 HD3 PRO W 490 4.348 -5.711 0.979 1.00 0.00 H new ATOM 639 N ARG W 491 3.449 -10.073 0.566 1.00 0.00 N ATOM 640 CA ARG W 491 3.070 -11.365 0.006 1.00 0.00 C ATOM 641 C ARG W 491 4.271 -12.308 -0.081 1.00 0.00 C ATOM 642 O ARG W 491 4.106 -13.511 -0.282 1.00 0.00 O ATOM 643 CB ARG W 491 2.453 -11.177 -1.380 1.00 0.00 C ATOM 644 CG ARG W 491 3.241 -10.230 -2.271 1.00 0.00 C ATOM 645 CD ARG W 491 2.942 -10.469 -3.743 1.00 0.00 C ATOM 646 NE ARG W 491 3.202 -11.850 -4.138 1.00 0.00 N ATOM 647 CZ ARG W 491 3.071 -12.297 -5.383 1.00 0.00 C ATOM 648 NH1 ARG W 491 2.693 -11.472 -6.351 1.00 0.00 N ATOM 649 NH2 ARG W 491 3.319 -13.569 -5.662 1.00 0.00 N ATOM 0 H ARG W 491 3.494 -9.316 -0.116 1.00 0.00 H new ATOM 0 HA ARG W 491 2.333 -11.816 0.671 1.00 0.00 H new ATOM 0 HB2 ARG W 491 2.379 -12.147 -1.871 1.00 0.00 H new ATOM 0 HB3 ARG W 491 1.437 -10.798 -1.268 1.00 0.00 H new ATOM 0 HG2 ARG W 491 2.998 -9.199 -2.012 1.00 0.00 H new ATOM 0 HG3 ARG W 491 4.308 -10.361 -2.090 1.00 0.00 H new ATOM 0 HD2 ARG W 491 1.899 -10.225 -3.945 1.00 0.00 H new ATOM 0 HD3 ARG W 491 3.550 -9.798 -4.350 1.00 0.00 H new ATOM 0 HE ARG W 491 3.501 -12.509 -3.419 1.00 0.00 H new ATOM 0 HH11 ARG W 491 2.502 -10.492 -6.141 1.00 0.00 H new ATOM 0 HH12 ARG W 491 2.593 -11.817 -7.306 1.00 0.00 H new ATOM 0 HH21 ARG W 491 3.611 -14.206 -4.921 1.00 0.00 H new ATOM 0 HH22 ARG W 491 3.218 -13.911 -6.618 1.00 0.00 H new ATOM 663 N MET W 492 5.476 -11.760 0.069 1.00 0.00 N ATOM 664 CA MET W 492 6.689 -12.567 0.004 1.00 0.00 C ATOM 665 C MET W 492 6.975 -13.224 1.349 1.00 0.00 C ATOM 666 O MET W 492 7.497 -14.337 1.408 1.00 0.00 O ATOM 667 CB MET W 492 7.878 -11.702 -0.418 1.00 0.00 C ATOM 668 CG MET W 492 8.829 -12.403 -1.375 1.00 0.00 C ATOM 669 SD MET W 492 9.674 -13.802 -0.614 1.00 0.00 S ATOM 670 CE MET W 492 11.383 -13.289 -0.771 1.00 0.00 C ATOM 0 H MET W 492 5.636 -10.766 0.235 1.00 0.00 H new ATOM 0 HA MET W 492 6.537 -13.351 -0.738 1.00 0.00 H new ATOM 0 HB2 MET W 492 7.506 -10.792 -0.889 1.00 0.00 H new ATOM 0 HB3 MET W 492 8.429 -11.398 0.472 1.00 0.00 H new ATOM 0 HG2 MET W 492 8.272 -12.750 -2.245 1.00 0.00 H new ATOM 0 HG3 MET W 492 9.569 -11.688 -1.734 1.00 0.00 H new ATOM 0 HE1 MET W 492 12.033 -14.053 -0.344 1.00 0.00 H new ATOM 0 HE2 MET W 492 11.627 -13.153 -1.825 1.00 0.00 H new ATOM 0 HE3 MET W 492 11.531 -12.349 -0.240 1.00 0.00 H new ATOM 680 N GLN W 493 6.625 -12.532 2.428 1.00 0.00 N ATOM 681 CA GLN W 493 6.841 -13.055 3.772 1.00 0.00 C ATOM 682 C GLN W 493 5.856 -14.179 4.073 1.00 0.00 C ATOM 683 O GLN W 493 6.255 -15.298 4.398 1.00 0.00 O ATOM 684 CB GLN W 493 6.695 -11.938 4.808 1.00 0.00 C ATOM 685 CG GLN W 493 8.022 -11.446 5.360 1.00 0.00 C ATOM 686 CD GLN W 493 8.829 -12.551 6.014 1.00 0.00 C ATOM 687 OE1 GLN W 493 8.303 -13.622 6.317 1.00 0.00 O ATOM 688 NE2 GLN W 493 10.114 -12.296 6.237 1.00 0.00 N ATOM 0 H GLN W 493 6.191 -11.609 2.398 1.00 0.00 H new ATOM 0 HA GLN W 493 7.854 -13.455 3.826 1.00 0.00 H new ATOM 0 HB2 GLN W 493 6.166 -11.100 4.355 1.00 0.00 H new ATOM 0 HB3 GLN W 493 6.078 -12.296 5.632 1.00 0.00 H new ATOM 0 HG2 GLN W 493 8.606 -11.005 4.552 1.00 0.00 H new ATOM 0 HG3 GLN W 493 7.838 -10.656 6.088 1.00 0.00 H new ATOM 0 HE21 GLN W 493 10.509 -11.394 5.970 1.00 0.00 H new ATOM 0 HE22 GLN W 493 10.705 -13.002 6.675 1.00 0.00 H new ATOM 697 N ASN W 494 4.567 -13.876 3.956 1.00 0.00 N ATOM 698 CA ASN W 494 3.523 -14.860 4.209 1.00 0.00 C ATOM 699 C ASN W 494 3.500 -15.274 5.677 1.00 0.00 C ATOM 700 O ASN W 494 2.653 -14.821 6.447 1.00 0.00 O ATOM 701 CB ASN W 494 3.732 -16.092 3.326 1.00 0.00 C ATOM 702 CG ASN W 494 2.577 -16.323 2.372 1.00 0.00 C ATOM 703 OD1 ASN W 494 1.596 -16.984 2.714 1.00 0.00 O ATOM 704 ND2 ASN W 494 2.687 -15.776 1.167 1.00 0.00 N ATOM 0 H ASN W 494 4.221 -12.955 3.687 1.00 0.00 H new ATOM 0 HA ASN W 494 2.564 -14.401 3.967 1.00 0.00 H new ATOM 0 HB2 ASN W 494 4.653 -15.974 2.755 1.00 0.00 H new ATOM 0 HB3 ASN W 494 3.859 -16.971 3.958 1.00 0.00 H new ATOM 0 HD21 ASN W 494 1.940 -15.896 0.482 1.00 0.00 H new ATOM 0 HD22 ASN W 494 3.518 -15.236 0.926 1.00 0.00 H new ATOM 711 N VAL W 495 4.434 -16.140 6.055 1.00 0.00 N ATOM 712 CA VAL W 495 4.521 -16.622 7.429 1.00 0.00 C ATOM 713 C VAL W 495 3.221 -17.297 7.851 1.00 0.00 C ATOM 714 O VAL W 495 2.347 -16.667 8.449 1.00 0.00 O ATOM 715 CB VAL W 495 4.839 -15.480 8.414 1.00 0.00 C ATOM 716 CG1 VAL W 495 5.393 -16.038 9.716 1.00 0.00 C ATOM 717 CG2 VAL W 495 5.814 -14.488 7.796 1.00 0.00 C ATOM 0 H VAL W 495 5.142 -16.523 5.429 1.00 0.00 H new ATOM 0 HA VAL W 495 5.335 -17.346 7.459 1.00 0.00 H new ATOM 0 HB VAL W 495 3.912 -14.950 8.634 1.00 0.00 H new ATOM 0 HG11 VAL W 495 5.612 -15.218 10.400 1.00 0.00 H new ATOM 0 HG12 VAL W 495 4.657 -16.702 10.170 1.00 0.00 H new ATOM 0 HG13 VAL W 495 6.308 -16.595 9.513 1.00 0.00 H new ATOM 0 HG21 VAL W 495 6.023 -13.691 8.510 1.00 0.00 H new ATOM 0 HG22 VAL W 495 6.742 -15.000 7.541 1.00 0.00 H new ATOM 0 HG23 VAL W 495 5.376 -14.061 6.894 1.00 0.00 H new ATOM 727 N ALA W 496 3.099 -18.582 7.538 1.00 0.00 N ATOM 728 CA ALA W 496 1.898 -19.343 7.889 1.00 0.00 C ATOM 729 C ALA W 496 1.840 -19.611 9.389 1.00 0.00 C ATOM 730 O ALA W 496 2.835 -19.456 10.097 1.00 0.00 O ATOM 731 CB ALA W 496 1.825 -20.659 7.118 1.00 0.00 C ATOM 0 H ALA W 496 3.811 -19.120 7.044 1.00 0.00 H new ATOM 0 HA ALA W 496 1.037 -18.736 7.609 1.00 0.00 H new ATOM 0 HB1 ALA W 496 0.921 -21.198 7.403 1.00 0.00 H new ATOM 0 HB2 ALA W 496 1.802 -20.453 6.048 1.00 0.00 H new ATOM 0 HB3 ALA W 496 2.699 -21.267 7.352 1.00 0.00 H new ATOM 737 N ILE W 497 0.667 -20.011 9.867 1.00 0.00 N ATOM 738 CA ILE W 497 0.476 -20.300 11.282 1.00 0.00 C ATOM 739 C ILE W 497 0.960 -21.705 11.627 1.00 0.00 C ATOM 740 O ILE W 497 1.331 -21.983 12.767 1.00 0.00 O ATOM 741 CB ILE W 497 -1.004 -20.166 11.688 1.00 0.00 C ATOM 742 CG1 ILE W 497 -1.862 -21.171 10.918 1.00 0.00 C ATOM 743 CG2 ILE W 497 -1.492 -18.747 11.439 1.00 0.00 C ATOM 744 CD1 ILE W 497 -3.280 -21.283 11.444 1.00 0.00 C ATOM 0 H ILE W 497 -0.166 -20.142 9.294 1.00 0.00 H new ATOM 0 HA ILE W 497 1.065 -19.569 11.836 1.00 0.00 H new ATOM 0 HB ILE W 497 -1.094 -20.382 12.753 1.00 0.00 H new ATOM 0 HG12 ILE W 497 -1.894 -20.880 9.868 1.00 0.00 H new ATOM 0 HG13 ILE W 497 -1.388 -22.151 10.963 1.00 0.00 H new ATOM 0 HG21 ILE W 497 -2.539 -18.666 11.730 1.00 0.00 H new ATOM 0 HG22 ILE W 497 -0.897 -18.049 12.028 1.00 0.00 H new ATOM 0 HG23 ILE W 497 -1.390 -18.508 10.380 1.00 0.00 H new ATOM 0 HD11 ILE W 497 -3.831 -22.013 10.851 1.00 0.00 H new ATOM 0 HD12 ILE W 497 -3.257 -21.604 12.486 1.00 0.00 H new ATOM 0 HD13 ILE W 497 -3.772 -20.313 11.374 1.00 0.00 H new ATOM 756 N THR W 498 0.954 -22.587 10.632 1.00 0.00 N ATOM 757 CA THR W 498 1.393 -23.962 10.827 1.00 0.00 C ATOM 758 C THR W 498 2.775 -24.187 10.223 1.00 0.00 C ATOM 759 O THR W 498 3.098 -23.643 9.167 1.00 0.00 O ATOM 760 CB THR W 498 0.403 -24.962 10.200 1.00 0.00 C ATOM 761 OG1 THR W 498 -0.299 -24.343 9.115 1.00 0.00 O ATOM 762 CG2 THR W 498 -0.594 -25.457 11.237 1.00 0.00 C ATOM 0 H THR W 498 0.649 -22.372 9.682 1.00 0.00 H new ATOM 0 HA THR W 498 1.436 -24.131 11.903 1.00 0.00 H new ATOM 0 HB THR W 498 0.970 -25.815 9.826 1.00 0.00 H new ATOM 0 HG1 THR W 498 -0.925 -24.986 8.721 1.00 0.00 H new ATOM 0 HG21 THR W 498 -1.283 -26.162 10.772 1.00 0.00 H new ATOM 0 HG22 THR W 498 -0.060 -25.953 12.048 1.00 0.00 H new ATOM 0 HG23 THR W 498 -1.154 -24.611 11.636 1.00 0.00 H new ATOM 770 N GLY W 499 3.587 -24.991 10.901 1.00 0.00 N ATOM 771 CA GLY W 499 4.926 -25.274 10.418 1.00 0.00 C ATOM 772 C GLY W 499 5.329 -26.719 10.635 1.00 0.00 C ATOM 773 O GLY W 499 4.472 -27.514 11.074 1.00 0.00 O ATOM 774 OXT GLY W 499 6.502 -27.054 10.367 1.00 0.00 O ATOM 0 H GLY W 499 3.342 -25.452 11.777 1.00 0.00 H new ATOM 0 HA2 GLY W 499 4.982 -25.041 9.355 1.00 0.00 H new ATOM 0 HA3 GLY W 499 5.637 -24.622 10.925 1.00 0.00 H new TER 778 GLY W 499 ATOM 779 N GLY B 605 16.308 -4.170 -4.008 1.00 0.00 N ATOM 780 CA GLY B 605 17.286 -5.271 -4.221 1.00 0.00 C ATOM 781 C GLY B 605 18.709 -4.767 -4.358 1.00 0.00 C ATOM 782 O GLY B 605 19.118 -4.329 -5.434 1.00 0.00 O ATOM 0 HA2 GLY B 605 17.230 -5.969 -3.385 1.00 0.00 H new ATOM 0 HA3 GLY B 605 17.013 -5.826 -5.118 1.00 0.00 H new ATOM 788 N SER B 606 19.466 -4.830 -3.266 1.00 0.00 N ATOM 789 CA SER B 606 20.853 -4.377 -3.268 1.00 0.00 C ATOM 790 C SER B 606 20.932 -2.857 -3.358 1.00 0.00 C ATOM 791 O SER B 606 21.391 -2.194 -2.428 1.00 0.00 O ATOM 792 CB SER B 606 21.616 -5.008 -4.435 1.00 0.00 C ATOM 793 OG SER B 606 22.915 -5.411 -4.037 1.00 0.00 O ATOM 0 H SER B 606 19.142 -5.190 -2.369 1.00 0.00 H new ATOM 0 HA SER B 606 21.311 -4.691 -2.330 1.00 0.00 H new ATOM 0 HB2 SER B 606 21.064 -5.869 -4.811 1.00 0.00 H new ATOM 0 HB3 SER B 606 21.689 -4.293 -5.255 1.00 0.00 H new ATOM 0 HG SER B 606 23.381 -5.812 -4.800 1.00 0.00 H new ATOM 799 N THR B 607 20.486 -2.312 -4.484 1.00 0.00 N ATOM 800 CA THR B 607 20.509 -0.869 -4.700 1.00 0.00 C ATOM 801 C THR B 607 19.514 -0.156 -3.790 1.00 0.00 C ATOM 802 O THR B 607 19.743 0.979 -3.372 1.00 0.00 O ATOM 803 CB THR B 607 20.192 -0.514 -6.164 1.00 0.00 C ATOM 804 OG1 THR B 607 18.944 -1.102 -6.552 1.00 0.00 O ATOM 805 CG2 THR B 607 21.296 -1.001 -7.090 1.00 0.00 C ATOM 0 H THR B 607 20.103 -2.848 -5.263 1.00 0.00 H new ATOM 0 HA THR B 607 21.518 -0.533 -4.462 1.00 0.00 H new ATOM 0 HB THR B 607 20.123 0.571 -6.245 1.00 0.00 H new ATOM 0 HG1 THR B 607 18.749 -0.870 -7.484 1.00 0.00 H new ATOM 0 HG21 THR B 607 21.050 -0.739 -8.119 1.00 0.00 H new ATOM 0 HG22 THR B 607 22.239 -0.530 -6.811 1.00 0.00 H new ATOM 0 HG23 THR B 607 21.392 -2.083 -7.004 1.00 0.00 H new ATOM 813 N LEU B 608 18.406 -0.827 -3.486 1.00 0.00 N ATOM 814 CA LEU B 608 17.377 -0.253 -2.628 1.00 0.00 C ATOM 815 C LEU B 608 17.216 -1.066 -1.345 1.00 0.00 C ATOM 816 O LEU B 608 16.184 -1.702 -1.129 1.00 0.00 O ATOM 817 CB LEU B 608 16.042 -0.185 -3.375 1.00 0.00 C ATOM 818 CG LEU B 608 14.928 0.567 -2.646 1.00 0.00 C ATOM 819 CD1 LEU B 608 14.253 1.556 -3.583 1.00 0.00 C ATOM 820 CD2 LEU B 608 13.910 -0.411 -2.079 1.00 0.00 C ATOM 0 H LEU B 608 18.199 -1.768 -3.821 1.00 0.00 H new ATOM 0 HA LEU B 608 17.687 0.756 -2.357 1.00 0.00 H new ATOM 0 HB2 LEU B 608 16.208 0.291 -4.341 1.00 0.00 H new ATOM 0 HB3 LEU B 608 15.703 -1.202 -3.574 1.00 0.00 H new ATOM 0 HG LEU B 608 15.370 1.123 -1.819 1.00 0.00 H new ATOM 0 HD11 LEU B 608 13.463 2.083 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU B 608 14.988 2.275 -3.944 1.00 0.00 H new ATOM 0 HD13 LEU B 608 13.823 1.020 -4.429 1.00 0.00 H new ATOM 0 HD21 LEU B 608 13.124 0.140 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU B 608 13.473 -0.992 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU B 608 14.403 -1.083 -1.376 1.00 0.00 H new ATOM 832 N PRO B 609 18.240 -1.057 -0.473 1.00 0.00 N ATOM 833 CA PRO B 609 18.209 -1.796 0.791 1.00 0.00 C ATOM 834 C PRO B 609 17.375 -1.092 1.857 1.00 0.00 C ATOM 835 O PRO B 609 16.736 -1.738 2.688 1.00 0.00 O ATOM 836 CB PRO B 609 19.678 -1.835 1.203 1.00 0.00 C ATOM 837 CG PRO B 609 20.257 -0.586 0.632 1.00 0.00 C ATOM 838 CD PRO B 609 19.511 -0.327 -0.651 1.00 0.00 C ATOM 0 HA PRO B 609 17.752 -2.779 0.681 1.00 0.00 H new ATOM 0 HB2 PRO B 609 19.786 -1.863 2.287 1.00 0.00 H new ATOM 0 HB3 PRO B 609 20.178 -2.720 0.810 1.00 0.00 H new ATOM 0 HG2 PRO B 609 20.143 0.248 1.324 1.00 0.00 H new ATOM 0 HG3 PRO B 609 21.325 -0.701 0.445 1.00 0.00 H new ATOM 0 HD2 PRO B 609 19.342 0.738 -0.807 1.00 0.00 H new ATOM 0 HD3 PRO B 609 20.064 -0.692 -1.516 1.00 0.00 H new ATOM 846 N ILE B 610 17.389 0.237 1.831 1.00 0.00 N ATOM 847 CA ILE B 610 16.634 1.030 2.797 1.00 0.00 C ATOM 848 C ILE B 610 16.220 2.369 2.196 1.00 0.00 C ATOM 849 O ILE B 610 16.939 3.362 2.314 1.00 0.00 O ATOM 850 CB ILE B 610 17.452 1.291 4.088 1.00 0.00 C ATOM 851 CG1 ILE B 610 18.931 1.489 3.751 1.00 0.00 C ATOM 852 CG2 ILE B 610 17.283 0.156 5.096 1.00 0.00 C ATOM 853 CD1 ILE B 610 19.788 1.802 4.957 1.00 0.00 C ATOM 0 H ILE B 610 17.914 0.788 1.152 1.00 0.00 H new ATOM 0 HA ILE B 610 15.746 0.452 3.053 1.00 0.00 H new ATOM 0 HB ILE B 610 17.069 2.203 4.546 1.00 0.00 H new ATOM 0 HG12 ILE B 610 19.310 0.587 3.270 1.00 0.00 H new ATOM 0 HG13 ILE B 610 19.025 2.299 3.028 1.00 0.00 H new ATOM 0 HG21 ILE B 610 17.870 0.372 5.989 1.00 0.00 H new ATOM 0 HG22 ILE B 610 16.231 0.064 5.367 1.00 0.00 H new ATOM 0 HG23 ILE B 610 17.627 -0.778 4.653 1.00 0.00 H new ATOM 0 HD11 ILE B 610 20.824 1.930 4.644 1.00 0.00 H new ATOM 0 HD12 ILE B 610 19.435 2.720 5.426 1.00 0.00 H new ATOM 0 HD13 ILE B 610 19.724 0.982 5.672 1.00 0.00 H new ATOM 865 N PRO B 611 15.047 2.415 1.540 1.00 0.00 N ATOM 866 CA PRO B 611 14.537 3.641 0.917 1.00 0.00 C ATOM 867 C PRO B 611 14.532 4.824 1.880 1.00 0.00 C ATOM 868 O PRO B 611 15.140 5.859 1.608 1.00 0.00 O ATOM 869 CB PRO B 611 13.107 3.268 0.520 1.00 0.00 C ATOM 870 CG PRO B 611 13.140 1.790 0.344 1.00 0.00 C ATOM 871 CD PRO B 611 14.129 1.275 1.352 1.00 0.00 C ATOM 0 HA PRO B 611 15.157 3.961 0.080 1.00 0.00 H new ATOM 0 HB2 PRO B 611 12.393 3.560 1.290 1.00 0.00 H new ATOM 0 HB3 PRO B 611 12.807 3.770 -0.400 1.00 0.00 H new ATOM 0 HG2 PRO B 611 12.154 1.355 0.508 1.00 0.00 H new ATOM 0 HG3 PRO B 611 13.441 1.524 -0.669 1.00 0.00 H new ATOM 0 HD2 PRO B 611 13.642 0.993 2.285 1.00 0.00 H new ATOM 0 HD3 PRO B 611 14.653 0.392 0.986 1.00 0.00 H new ATOM 879 N GLY B 612 13.844 4.663 3.005 1.00 0.00 N ATOM 880 CA GLY B 612 13.775 5.728 3.990 1.00 0.00 C ATOM 881 C GLY B 612 12.379 5.914 4.551 1.00 0.00 C ATOM 882 O GLY B 612 12.124 5.603 5.715 1.00 0.00 O ATOM 0 H GLY B 612 13.333 3.816 3.253 1.00 0.00 H new ATOM 0 HA2 GLY B 612 14.464 5.509 4.806 1.00 0.00 H new ATOM 0 HA3 GLY B 612 14.107 6.661 3.535 1.00 0.00 H new ATOM 886 N THR B 613 11.474 6.428 3.725 1.00 0.00 N ATOM 887 CA THR B 613 10.097 6.657 4.149 1.00 0.00 C ATOM 888 C THR B 613 9.116 5.843 3.307 1.00 0.00 C ATOM 889 O THR B 613 9.248 5.771 2.085 1.00 0.00 O ATOM 890 CB THR B 613 9.724 8.148 4.052 1.00 0.00 C ATOM 891 OG1 THR B 613 9.492 8.508 2.686 1.00 0.00 O ATOM 892 CG2 THR B 613 10.827 9.020 4.632 1.00 0.00 C ATOM 0 H THR B 613 11.668 6.694 2.760 1.00 0.00 H new ATOM 0 HA THR B 613 10.029 6.337 5.189 1.00 0.00 H new ATOM 0 HB THR B 613 8.813 8.310 4.629 1.00 0.00 H new ATOM 0 HG1 THR B 613 9.254 9.457 2.634 1.00 0.00 H new ATOM 0 HG21 THR B 613 10.541 10.069 4.553 1.00 0.00 H new ATOM 0 HG22 THR B 613 10.980 8.764 5.680 1.00 0.00 H new ATOM 0 HG23 THR B 613 11.751 8.853 4.079 1.00 0.00 H new ATOM 900 N PRO B 614 8.113 5.216 3.950 1.00 0.00 N ATOM 901 CA PRO B 614 7.110 4.406 3.248 1.00 0.00 C ATOM 902 C PRO B 614 6.382 5.193 2.161 1.00 0.00 C ATOM 903 O PRO B 614 6.273 6.416 2.237 1.00 0.00 O ATOM 904 CB PRO B 614 6.130 4.002 4.356 1.00 0.00 C ATOM 905 CG PRO B 614 6.911 4.116 5.618 1.00 0.00 C ATOM 906 CD PRO B 614 7.878 5.245 5.404 1.00 0.00 C ATOM 0 HA PRO B 614 7.565 3.560 2.733 1.00 0.00 H new ATOM 0 HB2 PRO B 614 5.258 4.656 4.370 1.00 0.00 H new ATOM 0 HB3 PRO B 614 5.764 2.986 4.208 1.00 0.00 H new ATOM 0 HG2 PRO B 614 6.256 4.318 6.466 1.00 0.00 H new ATOM 0 HG3 PRO B 614 7.438 3.187 5.837 1.00 0.00 H new ATOM 0 HD2 PRO B 614 7.460 6.199 5.725 1.00 0.00 H new ATOM 0 HD3 PRO B 614 8.801 5.096 5.964 1.00 0.00 H new ATOM 914 N PRO B 615 5.871 4.496 1.129 1.00 0.00 N ATOM 915 CA PRO B 615 5.149 5.134 0.023 1.00 0.00 C ATOM 916 C PRO B 615 4.020 6.040 0.512 1.00 0.00 C ATOM 917 O PRO B 615 3.743 6.110 1.709 1.00 0.00 O ATOM 918 CB PRO B 615 4.581 3.950 -0.763 1.00 0.00 C ATOM 919 CG PRO B 615 5.493 2.815 -0.451 1.00 0.00 C ATOM 920 CD PRO B 615 5.956 3.032 0.963 1.00 0.00 C ATOM 0 HA PRO B 615 5.799 5.781 -0.566 1.00 0.00 H new ATOM 0 HB2 PRO B 615 3.557 3.729 -0.461 1.00 0.00 H new ATOM 0 HB3 PRO B 615 4.560 4.158 -1.833 1.00 0.00 H new ATOM 0 HG2 PRO B 615 4.976 1.861 -0.550 1.00 0.00 H new ATOM 0 HG3 PRO B 615 6.338 2.793 -1.139 1.00 0.00 H new ATOM 0 HD2 PRO B 615 5.322 2.509 1.678 1.00 0.00 H new ATOM 0 HD3 PRO B 615 6.973 2.669 1.113 1.00 0.00 H new ATOM 928 N PRO B 616 3.352 6.749 -0.416 1.00 0.00 N ATOM 929 CA PRO B 616 2.249 7.656 -0.077 1.00 0.00 C ATOM 930 C PRO B 616 1.123 6.950 0.670 1.00 0.00 C ATOM 931 O PRO B 616 0.578 5.953 0.196 1.00 0.00 O ATOM 932 CB PRO B 616 1.755 8.152 -1.441 1.00 0.00 C ATOM 933 CG PRO B 616 2.907 7.949 -2.362 1.00 0.00 C ATOM 934 CD PRO B 616 3.619 6.725 -1.865 1.00 0.00 C ATOM 0 HA PRO B 616 2.575 8.455 0.588 1.00 0.00 H new ATOM 0 HB2 PRO B 616 0.881 7.592 -1.772 1.00 0.00 H new ATOM 0 HB3 PRO B 616 1.464 9.201 -1.398 1.00 0.00 H new ATOM 0 HG2 PRO B 616 2.567 7.814 -3.389 1.00 0.00 H new ATOM 0 HG3 PRO B 616 3.569 8.815 -2.357 1.00 0.00 H new ATOM 0 HD2 PRO B 616 3.234 5.818 -2.331 1.00 0.00 H new ATOM 0 HD3 PRO B 616 4.687 6.765 -2.079 1.00 0.00 H new ATOM 942 N ASN B 617 0.778 7.474 1.842 1.00 0.00 N ATOM 943 CA ASN B 617 -0.285 6.895 2.657 1.00 0.00 C ATOM 944 C ASN B 617 -1.609 6.887 1.899 1.00 0.00 C ATOM 945 O ASN B 617 -1.842 7.726 1.029 1.00 0.00 O ATOM 946 CB ASN B 617 -0.433 7.680 3.963 1.00 0.00 C ATOM 947 CG ASN B 617 -0.494 6.774 5.177 1.00 0.00 C ATOM 948 OD1 ASN B 617 0.455 6.700 5.958 1.00 0.00 O ATOM 949 ND2 ASN B 617 -1.612 6.079 5.342 1.00 0.00 N ATOM 0 H ASN B 617 1.219 8.299 2.249 1.00 0.00 H new ATOM 0 HA ASN B 617 -0.016 5.864 2.888 1.00 0.00 H new ATOM 0 HB2 ASN B 617 0.406 8.368 4.068 1.00 0.00 H new ATOM 0 HB3 ASN B 617 -1.338 8.286 3.919 1.00 0.00 H new ATOM 0 HD21 ASN B 617 -1.710 5.453 6.141 1.00 0.00 H new ATOM 0 HD22 ASN B 617 -2.374 6.171 4.670 1.00 0.00 H new ATOM 956 N TYR B 618 -2.472 5.932 2.233 1.00 0.00 N ATOM 957 CA TYR B 618 -3.772 5.815 1.580 1.00 0.00 C ATOM 958 C TYR B 618 -4.617 7.059 1.827 1.00 0.00 C ATOM 959 O TYR B 618 -5.307 7.542 0.930 1.00 0.00 O ATOM 960 CB TYR B 618 -4.511 4.575 2.085 1.00 0.00 C ATOM 961 CG TYR B 618 -5.910 4.438 1.532 1.00 0.00 C ATOM 962 CD1 TYR B 618 -6.124 3.976 0.240 1.00 0.00 C ATOM 963 CD2 TYR B 618 -7.019 4.771 2.301 1.00 0.00 C ATOM 964 CE1 TYR B 618 -7.402 3.850 -0.271 1.00 0.00 C ATOM 965 CE2 TYR B 618 -8.300 4.647 1.798 1.00 0.00 C ATOM 966 CZ TYR B 618 -8.486 4.186 0.512 1.00 0.00 C ATOM 967 OH TYR B 618 -9.760 4.061 0.007 1.00 0.00 O ATOM 0 H TYR B 618 -2.295 5.229 2.951 1.00 0.00 H new ATOM 0 HA TYR B 618 -3.604 5.717 0.507 1.00 0.00 H new ATOM 0 HB2 TYR B 618 -3.936 3.687 1.821 1.00 0.00 H new ATOM 0 HB3 TYR B 618 -4.561 4.610 3.173 1.00 0.00 H new ATOM 0 HD1 TYR B 618 -5.277 3.711 -0.376 1.00 0.00 H new ATOM 0 HD2 TYR B 618 -6.877 5.133 3.309 1.00 0.00 H new ATOM 0 HE1 TYR B 618 -7.551 3.490 -1.278 1.00 0.00 H new ATOM 0 HE2 TYR B 618 -9.151 4.910 2.409 1.00 0.00 H new ATOM 0 HH TYR B 618 -10.410 4.338 0.686 1.00 0.00 H new ATOM 977 N ASP B 619 -4.554 7.577 3.050 1.00 0.00 N ATOM 978 CA ASP B 619 -5.310 8.769 3.410 1.00 0.00 C ATOM 979 C ASP B 619 -4.827 9.978 2.614 1.00 0.00 C ATOM 980 O ASP B 619 -5.573 10.934 2.403 1.00 0.00 O ATOM 981 CB ASP B 619 -5.183 9.048 4.909 1.00 0.00 C ATOM 982 CG ASP B 619 -5.785 7.944 5.757 1.00 0.00 C ATOM 983 OD1 ASP B 619 -7.029 7.845 5.805 1.00 0.00 O ATOM 984 OD2 ASP B 619 -5.013 7.179 6.372 1.00 0.00 O ATOM 0 H ASP B 619 -3.988 7.190 3.806 1.00 0.00 H new ATOM 0 HA ASP B 619 -6.358 8.591 3.169 1.00 0.00 H new ATOM 0 HB2 ASP B 619 -4.130 9.166 5.166 1.00 0.00 H new ATOM 0 HB3 ASP B 619 -5.676 9.992 5.143 1.00 0.00 H new ATOM 989 N SER B 620 -3.574 9.924 2.171 1.00 0.00 N ATOM 990 CA SER B 620 -2.988 11.009 1.393 1.00 0.00 C ATOM 991 C SER B 620 -3.213 10.795 -0.102 1.00 0.00 C ATOM 992 O SER B 620 -3.178 11.743 -0.885 1.00 0.00 O ATOM 993 CB SER B 620 -1.490 11.119 1.684 1.00 0.00 C ATOM 994 OG SER B 620 -1.093 12.474 1.809 1.00 0.00 O ATOM 0 H SER B 620 -2.945 9.139 2.338 1.00 0.00 H new ATOM 0 HA SER B 620 -3.479 11.937 1.685 1.00 0.00 H new ATOM 0 HB2 SER B 620 -1.254 10.581 2.602 1.00 0.00 H new ATOM 0 HB3 SER B 620 -0.925 10.644 0.882 1.00 0.00 H new ATOM 0 HG SER B 620 -0.132 12.517 1.996 1.00 0.00 H new ATOM 1000 N LEU B 621 -3.442 9.543 -0.490 1.00 0.00 N ATOM 1001 CA LEU B 621 -3.672 9.208 -1.891 1.00 0.00 C ATOM 1002 C LEU B 621 -5.047 9.687 -2.345 1.00 0.00 C ATOM 1003 O LEU B 621 -5.717 10.388 -1.559 1.00 0.00 O ATOM 1004 CB LEU B 621 -3.553 7.696 -2.099 1.00 0.00 C ATOM 1005 CG LEU B 621 -2.165 7.205 -2.517 1.00 0.00 C ATOM 1006 CD1 LEU B 621 -2.183 5.706 -2.772 1.00 0.00 C ATOM 1007 CD2 LEU B 621 -1.688 7.952 -3.753 1.00 0.00 C ATOM 1008 OXT LEU B 621 -5.441 9.357 -3.483 1.00 0.00 O ATOM 0 H LEU B 621 -3.473 8.746 0.145 1.00 0.00 H new ATOM 0 HA LEU B 621 -2.914 9.713 -2.490 1.00 0.00 H new ATOM 0 HB2 LEU B 621 -3.835 7.194 -1.173 1.00 0.00 H new ATOM 0 HB3 LEU B 621 -4.273 7.392 -2.859 1.00 0.00 H new ATOM 0 HG LEU B 621 -1.468 7.405 -1.703 1.00 0.00 H new ATOM 0 HD11 LEU B 621 -1.187 5.375 -3.068 1.00 0.00 H new ATOM 0 HD12 LEU B 621 -2.483 5.186 -1.862 1.00 0.00 H new ATOM 0 HD13 LEU B 621 -2.892 5.481 -3.569 1.00 0.00 H new ATOM 0 HD21 LEU B 621 -0.700 7.591 -4.037 1.00 0.00 H new ATOM 0 HD22 LEU B 621 -2.386 7.782 -4.573 1.00 0.00 H new ATOM 0 HD23 LEU B 621 -1.636 9.019 -3.536 1.00 0.00 H new TER 1020 LEU B 621