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= -1.71 K(o=-2.5,f=-9.7!) USER MOD Set 1.2: W 481 ASN :FLIP amide:sc= -0.748 F(o=-4.1!,f=-2.5) USER MOD Single : B 606 SER OG : rot 180:sc= 0 USER MOD Single : B 607 THR OG1 : rot 180:sc= -0.865 USER MOD Single : B 613 THR OG1 : rot 180:sc= 0 USER MOD Single : B 617 ASN : amide:sc= -0.698 K(o=-0.7,f=-3.7!) 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= -0.29 K(o=-0.29,f=-4.2!) USER MOD Single : W 469 THR OG1 : rot 180:sc= 0.034 USER MOD Single : W 470 HIS : no HD1:sc= -1.86 X(o=-1.9,f=-1.5) USER MOD Single : W 471 THR OG1 : rot 180:sc= 0.121 USER MOD Single : W 480 HIS : no HD1:sc= -0.0163 X(o=-0.016,f=0) USER MOD Single : W 483 LYS NZ :NH3+ -113:sc= 0.0155 (180deg=0) USER MOD Single : W 484 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : W 485 THR OG1 : rot 175:sc= -0.803! USER MOD Single : W 486 GLN : amide:sc= -1.06 X(o=-1.1,f=-0.61) USER MOD Single : W 492 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : W 493 GLN : amide:sc= -0.423 X(o=-0.42,f=-0.12) USER MOD Single : W 494 ASN : amide:sc= -2.17! C(o=-2.2!,f=-7.7!) USER MOD Single : W 498 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY W 450 9.771 -21.395 -13.202 1.00 0.00 N ATOM 2 CA GLY W 450 10.399 -22.701 -12.861 1.00 0.00 C ATOM 3 C GLY W 450 9.749 -23.363 -11.663 1.00 0.00 C ATOM 4 O GLY W 450 9.549 -22.729 -10.627 1.00 0.00 O ATOM 0 HA2 GLY W 450 10.333 -23.368 -13.721 1.00 0.00 H new ATOM 0 HA3 GLY W 450 11.459 -22.548 -12.657 1.00 0.00 H new ATOM 10 N SER W 451 9.417 -24.642 -11.805 1.00 0.00 N ATOM 11 CA SER W 451 8.783 -25.391 -10.727 1.00 0.00 C ATOM 12 C SER W 451 7.391 -24.844 -10.429 1.00 0.00 C ATOM 13 O SER W 451 7.154 -24.274 -9.363 1.00 0.00 O ATOM 14 CB SER W 451 9.647 -25.339 -9.466 1.00 0.00 C ATOM 15 OG SER W 451 11.021 -25.482 -9.781 1.00 0.00 O ATOM 0 H SER W 451 9.577 -25.181 -12.656 1.00 0.00 H new ATOM 0 HA SER W 451 8.683 -26.428 -11.048 1.00 0.00 H new ATOM 0 HB2 SER W 451 9.486 -24.392 -8.950 1.00 0.00 H new ATOM 0 HB3 SER W 451 9.344 -26.131 -8.781 1.00 0.00 H new ATOM 0 HG SER W 451 11.551 -25.443 -8.958 1.00 0.00 H new ATOM 21 N PRO W 452 6.446 -25.010 -11.371 1.00 0.00 N ATOM 22 CA PRO W 452 5.070 -24.529 -11.204 1.00 0.00 C ATOM 23 C PRO W 452 4.351 -25.222 -10.051 1.00 0.00 C ATOM 24 O PRO W 452 4.024 -26.405 -10.132 1.00 0.00 O ATOM 25 CB PRO W 452 4.399 -24.875 -12.539 1.00 0.00 C ATOM 26 CG PRO W 452 5.239 -25.958 -13.122 1.00 0.00 C ATOM 27 CD PRO W 452 6.643 -25.679 -12.669 1.00 0.00 C ATOM 0 HA PRO W 452 5.039 -23.466 -10.963 1.00 0.00 H new ATOM 0 HB2 PRO W 452 3.372 -25.209 -12.390 1.00 0.00 H new ATOM 0 HB3 PRO W 452 4.360 -24.008 -13.198 1.00 0.00 H new ATOM 0 HG2 PRO W 452 4.906 -26.938 -12.780 1.00 0.00 H new ATOM 0 HG3 PRO W 452 5.173 -25.961 -14.210 1.00 0.00 H new ATOM 0 HD2 PRO W 452 7.224 -26.596 -12.566 1.00 0.00 H new ATOM 0 HD3 PRO W 452 7.176 -25.042 -13.375 1.00 0.00 H new ATOM 35 N VAL W 453 4.108 -24.475 -8.979 1.00 0.00 N ATOM 36 CA VAL W 453 3.427 -25.016 -7.808 1.00 0.00 C ATOM 37 C VAL W 453 2.855 -23.901 -6.940 1.00 0.00 C ATOM 38 O VAL W 453 3.303 -22.757 -7.007 1.00 0.00 O ATOM 39 CB VAL W 453 4.376 -25.879 -6.955 1.00 0.00 C ATOM 40 CG1 VAL W 453 4.670 -27.199 -7.651 1.00 0.00 C ATOM 41 CG2 VAL W 453 5.664 -25.125 -6.660 1.00 0.00 C ATOM 0 H VAL W 453 4.372 -23.493 -8.897 1.00 0.00 H new ATOM 0 HA VAL W 453 2.613 -25.640 -8.177 1.00 0.00 H new ATOM 0 HB VAL W 453 3.884 -26.097 -6.007 1.00 0.00 H new ATOM 0 HG11 VAL W 453 5.342 -27.794 -7.033 1.00 0.00 H new ATOM 0 HG12 VAL W 453 3.739 -27.745 -7.805 1.00 0.00 H new ATOM 0 HG13 VAL W 453 5.140 -27.005 -8.615 1.00 0.00 H new ATOM 0 HG21 VAL W 453 6.322 -25.751 -6.056 1.00 0.00 H new ATOM 0 HG22 VAL W 453 6.161 -24.874 -7.597 1.00 0.00 H new ATOM 0 HG23 VAL W 453 5.433 -24.210 -6.115 1.00 0.00 H new ATOM 51 N ASP W 454 1.862 -24.243 -6.125 1.00 0.00 N ATOM 52 CA ASP W 454 1.227 -23.271 -5.243 1.00 0.00 C ATOM 53 C ASP W 454 1.913 -23.237 -3.881 1.00 0.00 C ATOM 54 O ASP W 454 1.253 -23.186 -2.844 1.00 0.00 O ATOM 55 CB ASP W 454 -0.256 -23.602 -5.070 1.00 0.00 C ATOM 56 CG ASP W 454 -0.490 -25.074 -4.789 1.00 0.00 C ATOM 57 OD1 ASP W 454 -0.145 -25.905 -5.655 1.00 0.00 O ATOM 58 OD2 ASP W 454 -1.016 -25.395 -3.703 1.00 0.00 O ATOM 0 H ASP W 454 1.480 -25.186 -6.057 1.00 0.00 H new ATOM 0 HA ASP W 454 1.324 -22.287 -5.702 1.00 0.00 H new ATOM 0 HB2 ASP W 454 -0.665 -23.009 -4.252 1.00 0.00 H new ATOM 0 HB3 ASP W 454 -0.797 -23.316 -5.972 1.00 0.00 H new ATOM 63 N SER W 455 3.242 -23.265 -3.890 1.00 0.00 N ATOM 64 CA SER W 455 4.015 -23.236 -2.653 1.00 0.00 C ATOM 65 C SER W 455 4.002 -21.841 -2.038 1.00 0.00 C ATOM 66 O SER W 455 3.649 -21.670 -0.871 1.00 0.00 O ATOM 67 CB SER W 455 5.456 -23.678 -2.916 1.00 0.00 C ATOM 68 OG SER W 455 6.021 -24.285 -1.767 1.00 0.00 O ATOM 0 H SER W 455 3.806 -23.308 -4.739 1.00 0.00 H new ATOM 0 HA SER W 455 3.554 -23.929 -1.949 1.00 0.00 H new ATOM 0 HB2 SER W 455 5.478 -24.380 -3.750 1.00 0.00 H new ATOM 0 HB3 SER W 455 6.056 -22.816 -3.208 1.00 0.00 H new ATOM 0 HG SER W 455 6.941 -24.560 -1.961 1.00 0.00 H new ATOM 74 N ASN W 456 4.391 -20.848 -2.829 1.00 0.00 N ATOM 75 CA ASN W 456 4.425 -19.467 -2.363 1.00 0.00 C ATOM 76 C ASN W 456 4.016 -18.507 -3.476 1.00 0.00 C ATOM 77 O ASN W 456 4.804 -17.664 -3.903 1.00 0.00 O ATOM 78 CB ASN W 456 5.823 -19.112 -1.855 1.00 0.00 C ATOM 79 CG ASN W 456 6.916 -19.569 -2.803 1.00 0.00 C ATOM 80 OD1 ASN W 456 6.642 -19.989 -3.927 1.00 0.00 O ATOM 81 ND2 ASN W 456 8.162 -19.491 -2.350 1.00 0.00 N ATOM 0 H ASN W 456 4.688 -20.974 -3.797 1.00 0.00 H new ATOM 0 HA ASN W 456 3.713 -19.369 -1.543 1.00 0.00 H new ATOM 0 HB2 ASN W 456 5.893 -18.033 -1.717 1.00 0.00 H new ATOM 0 HB3 ASN W 456 5.979 -19.569 -0.878 1.00 0.00 H new ATOM 0 HD21 ASN W 456 8.939 -19.786 -2.941 1.00 0.00 H new ATOM 0 HD22 ASN W 456 8.342 -19.136 -1.411 1.00 0.00 H new ATOM 88 N ASP W 457 2.779 -18.644 -3.943 1.00 0.00 N ATOM 89 CA ASP W 457 2.265 -17.790 -5.007 1.00 0.00 C ATOM 90 C ASP W 457 0.862 -17.293 -4.674 1.00 0.00 C ATOM 91 O ASP W 457 0.008 -18.063 -4.236 1.00 0.00 O ATOM 92 CB ASP W 457 2.248 -18.549 -6.336 1.00 0.00 C ATOM 93 CG ASP W 457 3.511 -18.327 -7.146 1.00 0.00 C ATOM 94 OD1 ASP W 457 4.596 -18.226 -6.536 1.00 0.00 O ATOM 95 OD2 ASP W 457 3.414 -18.255 -8.389 1.00 0.00 O ATOM 0 H ASP W 457 2.114 -19.338 -3.601 1.00 0.00 H new ATOM 0 HA ASP W 457 2.925 -16.927 -5.098 1.00 0.00 H new ATOM 0 HB2 ASP W 457 2.128 -19.615 -6.141 1.00 0.00 H new ATOM 0 HB3 ASP W 457 1.384 -18.232 -6.921 1.00 0.00 H new ATOM 100 N LEU W 458 0.633 -16.001 -4.886 1.00 0.00 N ATOM 101 CA LEU W 458 -0.667 -15.401 -4.607 1.00 0.00 C ATOM 102 C LEU W 458 -1.260 -14.784 -5.869 1.00 0.00 C ATOM 103 O LEU W 458 -2.456 -14.913 -6.133 1.00 0.00 O ATOM 104 CB LEU W 458 -0.537 -14.336 -3.516 1.00 0.00 C ATOM 105 CG LEU W 458 -0.320 -14.880 -2.103 1.00 0.00 C ATOM 106 CD1 LEU W 458 -0.255 -13.741 -1.099 1.00 0.00 C ATOM 107 CD2 LEU W 458 -1.424 -15.859 -1.733 1.00 0.00 C ATOM 0 H LEU W 458 1.329 -15.350 -5.249 1.00 0.00 H new ATOM 0 HA LEU W 458 -1.337 -16.187 -4.258 1.00 0.00 H new ATOM 0 HB2 LEU W 458 0.296 -13.679 -3.768 1.00 0.00 H new ATOM 0 HB3 LEU W 458 -1.438 -13.723 -3.519 1.00 0.00 H new ATOM 0 HG LEU W 458 0.631 -15.412 -2.080 1.00 0.00 H new ATOM 0 HD11 LEU W 458 -0.100 -14.146 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU W 458 0.572 -13.078 -1.354 1.00 0.00 H new ATOM 0 HD13 LEU W 458 -1.190 -13.181 -1.123 1.00 0.00 H new ATOM 0 HD21 LEU W 458 -1.253 -16.236 -0.725 1.00 0.00 H new ATOM 0 HD22 LEU W 458 -2.388 -15.352 -1.773 1.00 0.00 H new ATOM 0 HD23 LEU W 458 -1.423 -16.692 -2.436 1.00 0.00 H new ATOM 119 N GLY W 459 -0.416 -14.113 -6.647 1.00 0.00 N ATOM 120 CA GLY W 459 -0.875 -13.486 -7.872 1.00 0.00 C ATOM 121 C GLY W 459 -1.144 -12.002 -7.700 1.00 0.00 C ATOM 122 O GLY W 459 -0.208 -11.211 -7.584 1.00 0.00 O ATOM 0 H GLY W 459 0.578 -13.993 -6.450 1.00 0.00 H new ATOM 0 HA2 GLY W 459 -0.127 -13.628 -8.652 1.00 0.00 H new ATOM 0 HA3 GLY W 459 -1.786 -13.980 -8.210 1.00 0.00 H new ATOM 126 N PRO W 460 -2.423 -11.586 -7.680 1.00 0.00 N ATOM 127 CA PRO W 460 -2.790 -10.177 -7.520 1.00 0.00 C ATOM 128 C PRO W 460 -2.656 -9.701 -6.078 1.00 0.00 C ATOM 129 O PRO W 460 -3.611 -9.196 -5.490 1.00 0.00 O ATOM 130 CB PRO W 460 -4.252 -10.147 -7.961 1.00 0.00 C ATOM 131 CG PRO W 460 -4.769 -11.508 -7.643 1.00 0.00 C ATOM 132 CD PRO W 460 -3.609 -12.454 -7.814 1.00 0.00 C ATOM 0 HA PRO W 460 -2.141 -9.516 -8.095 1.00 0.00 H new ATOM 0 HB2 PRO W 460 -4.811 -9.377 -7.429 1.00 0.00 H new ATOM 0 HB3 PRO W 460 -4.341 -9.928 -9.025 1.00 0.00 H new ATOM 0 HG2 PRO W 460 -5.156 -11.548 -6.625 1.00 0.00 H new ATOM 0 HG3 PRO W 460 -5.590 -11.777 -8.307 1.00 0.00 H new ATOM 0 HD2 PRO W 460 -3.618 -13.239 -7.057 1.00 0.00 H new ATOM 0 HD3 PRO W 460 -3.635 -12.948 -8.785 1.00 0.00 H new ATOM 140 N LEU W 461 -1.462 -9.863 -5.516 1.00 0.00 N ATOM 141 CA LEU W 461 -1.199 -9.447 -4.144 1.00 0.00 C ATOM 142 C LEU W 461 -2.160 -10.125 -3.170 1.00 0.00 C ATOM 143 O LEU W 461 -3.127 -10.764 -3.582 1.00 0.00 O ATOM 144 CB LEU W 461 -1.318 -7.927 -4.017 1.00 0.00 C ATOM 145 CG LEU W 461 -0.732 -7.131 -5.183 1.00 0.00 C ATOM 146 CD1 LEU W 461 -0.877 -5.638 -4.935 1.00 0.00 C ATOM 147 CD2 LEU W 461 0.729 -7.498 -5.396 1.00 0.00 C ATOM 0 H LEU W 461 -0.661 -10.280 -5.991 1.00 0.00 H new ATOM 0 HA LEU W 461 -0.183 -9.749 -3.892 1.00 0.00 H new ATOM 0 HB2 LEU W 461 -2.372 -7.668 -3.914 1.00 0.00 H new ATOM 0 HB3 LEU W 461 -0.822 -7.615 -3.098 1.00 0.00 H new ATOM 0 HG LEU W 461 -1.286 -7.384 -6.087 1.00 0.00 H new ATOM 0 HD11 LEU W 461 -0.454 -5.087 -5.775 1.00 0.00 H new ATOM 0 HD12 LEU W 461 -1.933 -5.387 -4.831 1.00 0.00 H new ATOM 0 HD13 LEU W 461 -0.348 -5.368 -4.021 1.00 0.00 H new ATOM 0 HD21 LEU W 461 1.131 -6.922 -6.230 1.00 0.00 H new ATOM 0 HD22 LEU W 461 1.296 -7.273 -4.493 1.00 0.00 H new ATOM 0 HD23 LEU W 461 0.808 -8.562 -5.618 1.00 0.00 H new ATOM 159 N PRO W 462 -1.902 -9.991 -1.857 1.00 0.00 N ATOM 160 CA PRO W 462 -2.744 -10.590 -0.816 1.00 0.00 C ATOM 161 C PRO W 462 -4.114 -9.921 -0.734 1.00 0.00 C ATOM 162 O PRO W 462 -4.398 -8.979 -1.474 1.00 0.00 O ATOM 163 CB PRO W 462 -1.950 -10.357 0.480 1.00 0.00 C ATOM 164 CG PRO W 462 -0.590 -9.917 0.048 1.00 0.00 C ATOM 165 CD PRO W 462 -0.774 -9.249 -1.280 1.00 0.00 C ATOM 0 HA PRO W 462 -2.948 -11.643 -1.013 1.00 0.00 H new ATOM 0 HB2 PRO W 462 -2.428 -9.599 1.101 1.00 0.00 H new ATOM 0 HB3 PRO W 462 -1.896 -11.269 1.075 1.00 0.00 H new ATOM 0 HG2 PRO W 462 -0.154 -9.230 0.773 1.00 0.00 H new ATOM 0 HG3 PRO W 462 0.087 -10.767 -0.033 1.00 0.00 H new ATOM 0 HD2 PRO W 462 -0.999 -8.188 -1.172 1.00 0.00 H new ATOM 0 HD3 PRO W 462 0.120 -9.324 -1.899 1.00 0.00 H new ATOM 173 N PRO W 463 -4.987 -10.399 0.170 1.00 0.00 N ATOM 174 CA PRO W 463 -6.334 -9.838 0.339 1.00 0.00 C ATOM 175 C PRO W 463 -6.311 -8.462 0.995 1.00 0.00 C ATOM 176 O PRO W 463 -5.630 -8.253 1.999 1.00 0.00 O ATOM 177 CB PRO W 463 -7.026 -10.854 1.249 1.00 0.00 C ATOM 178 CG PRO W 463 -5.920 -11.481 2.022 1.00 0.00 C ATOM 179 CD PRO W 463 -4.736 -11.521 1.095 1.00 0.00 C ATOM 0 HA PRO W 463 -6.837 -9.687 -0.616 1.00 0.00 H new ATOM 0 HB2 PRO W 463 -7.746 -10.369 1.909 1.00 0.00 H new ATOM 0 HB3 PRO W 463 -7.575 -11.596 0.669 1.00 0.00 H new ATOM 0 HG2 PRO W 463 -5.694 -10.903 2.918 1.00 0.00 H new ATOM 0 HG3 PRO W 463 -6.193 -12.484 2.350 1.00 0.00 H new ATOM 0 HD2 PRO W 463 -3.798 -11.394 1.636 1.00 0.00 H new ATOM 0 HD3 PRO W 463 -4.672 -12.472 0.565 1.00 0.00 H new ATOM 187 N GLY W 464 -7.059 -7.524 0.421 1.00 0.00 N ATOM 188 CA GLY W 464 -7.106 -6.179 0.964 1.00 0.00 C ATOM 189 C GLY W 464 -5.940 -5.316 0.511 1.00 0.00 C ATOM 190 O GLY W 464 -5.909 -4.116 0.784 1.00 0.00 O ATOM 0 H GLY W 464 -7.633 -7.672 -0.409 1.00 0.00 H new ATOM 0 HA2 GLY W 464 -8.040 -5.704 0.664 1.00 0.00 H new ATOM 0 HA3 GLY W 464 -7.110 -6.232 2.053 1.00 0.00 H new ATOM 194 N TRP W 465 -4.976 -5.925 -0.175 1.00 0.00 N ATOM 195 CA TRP W 465 -3.805 -5.202 -0.656 1.00 0.00 C ATOM 196 C TRP W 465 -4.021 -4.678 -2.072 1.00 0.00 C ATOM 197 O TRP W 465 -4.967 -5.069 -2.756 1.00 0.00 O ATOM 198 CB TRP W 465 -2.577 -6.108 -0.604 1.00 0.00 C ATOM 199 CG TRP W 465 -2.046 -6.289 0.778 1.00 0.00 C ATOM 200 CD1 TRP W 465 -2.459 -7.199 1.707 1.00 0.00 C ATOM 201 CD2 TRP W 465 -1.005 -5.529 1.391 1.00 0.00 C ATOM 202 NE1 TRP W 465 -1.726 -7.056 2.860 1.00 0.00 N ATOM 203 CE2 TRP W 465 -0.828 -6.036 2.688 1.00 0.00 C ATOM 204 CE3 TRP W 465 -0.200 -4.469 0.964 1.00 0.00 C ATOM 205 CZ2 TRP W 465 0.119 -5.519 3.563 1.00 0.00 C ATOM 206 CZ3 TRP W 465 0.740 -3.957 1.834 1.00 0.00 C ATOM 207 CH2 TRP W 465 0.894 -4.482 3.121 1.00 0.00 C ATOM 0 H TRP W 465 -4.984 -6.918 -0.410 1.00 0.00 H new ATOM 0 HA TRP W 465 -3.643 -4.343 -0.006 1.00 0.00 H new ATOM 0 HB2 TRP W 465 -2.833 -7.083 -1.020 1.00 0.00 H new ATOM 0 HB3 TRP W 465 -1.795 -5.688 -1.236 1.00 0.00 H new ATOM 0 HD1 TRP W 465 -3.245 -7.924 1.558 1.00 0.00 H new ATOM 0 HE1 TRP W 465 -1.833 -7.617 3.705 1.00 0.00 H new ATOM 0 HE3 TRP W 465 -0.312 -4.059 -0.029 1.00 0.00 H new ATOM 0 HZ2 TRP W 465 0.239 -5.922 4.558 1.00 0.00 H new ATOM 0 HZ3 TRP W 465 1.367 -3.137 1.516 1.00 0.00 H new ATOM 0 HH2 TRP W 465 1.640 -4.060 3.779 1.00 0.00 H new ATOM 218 N GLU W 466 -3.141 -3.776 -2.497 1.00 0.00 N ATOM 219 CA GLU W 466 -3.231 -3.177 -3.822 1.00 0.00 C ATOM 220 C GLU W 466 -1.848 -2.794 -4.341 1.00 0.00 C ATOM 221 O GLU W 466 -0.989 -2.358 -3.576 1.00 0.00 O ATOM 222 CB GLU W 466 -4.124 -1.934 -3.769 1.00 0.00 C ATOM 223 CG GLU W 466 -5.256 -1.952 -4.784 1.00 0.00 C ATOM 224 CD GLU W 466 -4.829 -1.427 -6.141 1.00 0.00 C ATOM 225 OE1 GLU W 466 -3.680 -1.698 -6.548 1.00 0.00 O ATOM 226 OE2 GLU W 466 -5.646 -0.747 -6.799 1.00 0.00 O ATOM 0 H GLU W 466 -2.355 -3.444 -1.939 1.00 0.00 H new ATOM 0 HA GLU W 466 -3.664 -3.910 -4.502 1.00 0.00 H new ATOM 0 HB2 GLU W 466 -4.546 -1.843 -2.768 1.00 0.00 H new ATOM 0 HB3 GLU W 466 -3.510 -1.049 -3.938 1.00 0.00 H new ATOM 0 HG2 GLU W 466 -5.626 -2.972 -4.893 1.00 0.00 H new ATOM 0 HG3 GLU W 466 -6.085 -1.351 -4.410 1.00 0.00 H new ATOM 233 N GLU W 467 -1.638 -2.948 -5.644 1.00 0.00 N ATOM 234 CA GLU W 467 -0.359 -2.598 -6.249 1.00 0.00 C ATOM 235 C GLU W 467 -0.401 -1.174 -6.791 1.00 0.00 C ATOM 236 O GLU W 467 -0.970 -0.920 -7.853 1.00 0.00 O ATOM 237 CB GLU W 467 -0.012 -3.576 -7.374 1.00 0.00 C ATOM 238 CG GLU W 467 -0.960 -3.501 -8.559 1.00 0.00 C ATOM 239 CD GLU W 467 -1.163 -4.845 -9.231 1.00 0.00 C ATOM 240 OE1 GLU W 467 -0.306 -5.735 -9.049 1.00 0.00 O ATOM 241 OE2 GLU W 467 -2.180 -5.008 -9.939 1.00 0.00 O ATOM 0 H GLU W 467 -2.332 -3.310 -6.297 1.00 0.00 H new ATOM 0 HA GLU W 467 0.412 -2.661 -5.481 1.00 0.00 H new ATOM 0 HB2 GLU W 467 1.003 -3.376 -7.718 1.00 0.00 H new ATOM 0 HB3 GLU W 467 -0.020 -4.591 -6.977 1.00 0.00 H new ATOM 0 HG2 GLU W 467 -1.924 -3.117 -8.224 1.00 0.00 H new ATOM 0 HG3 GLU W 467 -0.569 -2.790 -9.287 1.00 0.00 H new ATOM 248 N ARG W 468 0.201 -0.246 -6.056 1.00 0.00 N ATOM 249 CA ARG W 468 0.224 1.154 -6.465 1.00 0.00 C ATOM 250 C ARG W 468 1.603 1.548 -6.981 1.00 0.00 C ATOM 251 O ARG W 468 2.624 1.097 -6.462 1.00 0.00 O ATOM 252 CB ARG W 468 -0.176 2.056 -5.298 1.00 0.00 C ATOM 253 CG ARG W 468 -1.658 2.388 -5.263 1.00 0.00 C ATOM 254 CD ARG W 468 -1.956 3.684 -6.000 1.00 0.00 C ATOM 255 NE ARG W 468 -1.904 3.512 -7.449 1.00 0.00 N ATOM 256 CZ ARG W 468 -2.892 2.986 -8.165 1.00 0.00 C ATOM 257 NH1 ARG W 468 -4.007 2.588 -7.568 1.00 0.00 N ATOM 258 NH2 ARG W 468 -2.768 2.859 -9.479 1.00 0.00 N ATOM 0 H ARG W 468 0.679 -0.437 -5.175 1.00 0.00 H new ATOM 0 HA ARG W 468 -0.495 1.281 -7.274 1.00 0.00 H new ATOM 0 HB2 ARG W 468 0.100 1.569 -4.363 1.00 0.00 H new ATOM 0 HB3 ARG W 468 0.394 2.983 -5.355 1.00 0.00 H new ATOM 0 HG2 ARG W 468 -2.225 1.573 -5.713 1.00 0.00 H new ATOM 0 HG3 ARG W 468 -1.989 2.473 -4.228 1.00 0.00 H new ATOM 0 HD2 ARG W 468 -2.943 4.046 -5.713 1.00 0.00 H new ATOM 0 HD3 ARG W 468 -1.237 4.446 -5.699 1.00 0.00 H new ATOM 0 HE ARG W 468 -1.062 3.813 -7.939 1.00 0.00 H new ATOM 0 HH11 ARG W 468 -4.107 2.685 -6.558 1.00 0.00 H new ATOM 0 HH12 ARG W 468 -4.764 2.184 -8.119 1.00 0.00 H new ATOM 0 HH21 ARG W 468 -1.913 3.165 -9.943 1.00 0.00 H new ATOM 0 HH22 ARG W 468 -3.528 2.455 -10.026 1.00 0.00 H new ATOM 272 N THR W 469 1.622 2.391 -8.007 1.00 0.00 N ATOM 273 CA THR W 469 2.875 2.847 -8.599 1.00 0.00 C ATOM 274 C THR W 469 3.433 4.052 -7.850 1.00 0.00 C ATOM 275 O THR W 469 2.746 5.058 -7.671 1.00 0.00 O ATOM 276 CB THR W 469 2.693 3.220 -10.081 1.00 0.00 C ATOM 277 OG1 THR W 469 1.448 3.906 -10.265 1.00 0.00 O ATOM 278 CG2 THR W 469 2.727 1.979 -10.960 1.00 0.00 C ATOM 0 H THR W 469 0.784 2.773 -8.446 1.00 0.00 H new ATOM 0 HA THR W 469 3.579 2.018 -8.523 1.00 0.00 H new ATOM 0 HB THR W 469 3.515 3.874 -10.371 1.00 0.00 H new ATOM 0 HG1 THR W 469 1.341 4.141 -11.210 1.00 0.00 H new ATOM 0 HG21 THR W 469 2.596 2.268 -12.003 1.00 0.00 H new ATOM 0 HG22 THR W 469 3.686 1.475 -10.841 1.00 0.00 H new ATOM 0 HG23 THR W 469 1.923 1.304 -10.667 1.00 0.00 H new ATOM 286 N HIS W 470 4.685 3.943 -7.417 1.00 0.00 N ATOM 287 CA HIS W 470 5.339 5.024 -6.689 1.00 0.00 C ATOM 288 C HIS W 470 5.797 6.122 -7.644 1.00 0.00 C ATOM 289 O HIS W 470 5.969 5.887 -8.840 1.00 0.00 O ATOM 290 CB HIS W 470 6.534 4.483 -5.902 1.00 0.00 C ATOM 291 CG HIS W 470 7.006 5.406 -4.821 1.00 0.00 C ATOM 292 ND1 HIS W 470 6.263 5.618 -3.686 1.00 0.00 N ATOM 293 CD2 HIS W 470 8.145 6.138 -4.750 1.00 0.00 C ATOM 294 CE1 HIS W 470 6.960 6.468 -2.953 1.00 0.00 C ATOM 295 NE2 HIS W 470 8.107 6.812 -3.556 1.00 0.00 N ATOM 0 H HIS W 470 5.267 3.117 -7.558 1.00 0.00 H new ATOM 0 HA HIS W 470 4.618 5.452 -5.993 1.00 0.00 H new ATOM 0 HB2 HIS W 470 6.263 3.525 -5.458 1.00 0.00 H new ATOM 0 HB3 HIS W 470 7.357 4.293 -6.591 1.00 0.00 H new ATOM 0 HD2 HIS W 470 8.930 6.182 -5.490 1.00 0.00 H new ATOM 0 HE1 HIS W 470 6.645 6.839 -1.989 1.00 0.00 H new ATOM 0 HE2 HIS W 470 8.815 7.452 -3.196 1.00 0.00 H new ATOM 303 N THR W 471 5.991 7.322 -7.106 1.00 0.00 N ATOM 304 CA THR W 471 6.430 8.457 -7.909 1.00 0.00 C ATOM 305 C THR W 471 7.733 8.150 -8.640 1.00 0.00 C ATOM 306 O THR W 471 8.054 8.783 -9.646 1.00 0.00 O ATOM 307 CB THR W 471 6.625 9.714 -7.041 1.00 0.00 C ATOM 308 OG1 THR W 471 6.046 9.513 -5.747 1.00 0.00 O ATOM 309 CG2 THR W 471 5.993 10.929 -7.702 1.00 0.00 C ATOM 0 H THR W 471 5.851 7.533 -6.118 1.00 0.00 H new ATOM 0 HA THR W 471 5.646 8.646 -8.642 1.00 0.00 H new ATOM 0 HB THR W 471 7.695 9.892 -6.934 1.00 0.00 H new ATOM 0 HG1 THR W 471 6.176 10.317 -5.202 1.00 0.00 H new ATOM 0 HG21 THR W 471 6.143 11.805 -7.071 1.00 0.00 H new ATOM 0 HG22 THR W 471 6.457 11.097 -8.674 1.00 0.00 H new ATOM 0 HG23 THR W 471 4.925 10.756 -7.835 1.00 0.00 H new ATOM 317 N ASP W 472 8.483 7.177 -8.129 1.00 0.00 N ATOM 318 CA ASP W 472 9.752 6.791 -8.737 1.00 0.00 C ATOM 319 C ASP W 472 9.555 5.716 -9.808 1.00 0.00 C ATOM 320 O ASP W 472 10.466 5.435 -10.587 1.00 0.00 O ATOM 321 CB ASP W 472 10.718 6.284 -7.665 1.00 0.00 C ATOM 322 CG ASP W 472 11.392 7.413 -6.911 1.00 0.00 C ATOM 323 OD1 ASP W 472 10.980 8.578 -7.095 1.00 0.00 O ATOM 324 OD2 ASP W 472 12.333 7.134 -6.139 1.00 0.00 O ATOM 0 H ASP W 472 8.234 6.643 -7.297 1.00 0.00 H new ATOM 0 HA ASP W 472 10.173 7.675 -9.217 1.00 0.00 H new ATOM 0 HB2 ASP W 472 10.176 5.654 -6.960 1.00 0.00 H new ATOM 0 HB3 ASP W 472 11.479 5.658 -8.132 1.00 0.00 H new ATOM 329 N GLY W 473 8.366 5.118 -9.844 1.00 0.00 N ATOM 330 CA GLY W 473 8.085 4.086 -10.826 1.00 0.00 C ATOM 331 C GLY W 473 7.981 2.705 -10.209 1.00 0.00 C ATOM 332 O GLY W 473 7.417 1.791 -10.811 1.00 0.00 O ATOM 0 H GLY W 473 7.594 5.330 -9.212 1.00 0.00 H new ATOM 0 HA2 GLY W 473 7.152 4.322 -11.338 1.00 0.00 H new ATOM 0 HA3 GLY W 473 8.872 4.084 -11.581 1.00 0.00 H new ATOM 336 N ARG W 474 8.519 2.552 -9.002 1.00 0.00 N ATOM 337 CA ARG W 474 8.474 1.272 -8.303 1.00 0.00 C ATOM 338 C ARG W 474 7.099 1.048 -7.682 1.00 0.00 C ATOM 339 O ARG W 474 6.631 1.858 -6.882 1.00 0.00 O ATOM 340 CB ARG W 474 9.554 1.223 -7.219 1.00 0.00 C ATOM 341 CG ARG W 474 10.962 1.059 -7.772 1.00 0.00 C ATOM 342 CD ARG W 474 11.846 2.243 -7.410 1.00 0.00 C ATOM 343 NE ARG W 474 13.187 2.118 -7.973 1.00 0.00 N ATOM 344 CZ ARG W 474 14.057 3.121 -8.031 1.00 0.00 C ATOM 345 NH1 ARG W 474 13.724 4.316 -7.563 1.00 0.00 N ATOM 346 NH2 ARG W 474 15.259 2.931 -8.558 1.00 0.00 N ATOM 0 H ARG W 474 8.990 3.297 -8.489 1.00 0.00 H new ATOM 0 HA ARG W 474 8.662 0.478 -9.026 1.00 0.00 H new ATOM 0 HB2 ARG W 474 9.508 2.139 -6.630 1.00 0.00 H new ATOM 0 HB3 ARG W 474 9.340 0.397 -6.541 1.00 0.00 H new ATOM 0 HG2 ARG W 474 11.403 0.142 -7.381 1.00 0.00 H new ATOM 0 HG3 ARG W 474 10.918 0.955 -8.856 1.00 0.00 H new ATOM 0 HD2 ARG W 474 11.386 3.163 -7.771 1.00 0.00 H new ATOM 0 HD3 ARG W 474 11.915 2.326 -6.325 1.00 0.00 H new ATOM 0 HE ARG W 474 13.472 1.211 -8.342 1.00 0.00 H new ATOM 0 HH11 ARG W 474 12.800 4.466 -7.158 1.00 0.00 H new ATOM 0 HH12 ARG W 474 14.392 5.086 -7.608 1.00 0.00 H new ATOM 0 HH21 ARG W 474 15.518 2.013 -8.920 1.00 0.00 H new ATOM 0 HH22 ARG W 474 15.925 3.703 -8.601 1.00 0.00 H new ATOM 360 N VAL W 475 6.449 -0.050 -8.060 1.00 0.00 N ATOM 361 CA VAL W 475 5.123 -0.364 -7.539 1.00 0.00 C ATOM 362 C VAL W 475 5.205 -0.965 -6.140 1.00 0.00 C ATOM 363 O VAL W 475 5.677 -2.088 -5.961 1.00 0.00 O ATOM 364 CB VAL W 475 4.378 -1.343 -8.462 1.00 0.00 C ATOM 365 CG1 VAL W 475 5.115 -2.688 -8.516 1.00 0.00 C ATOM 366 CG2 VAL W 475 2.916 -1.480 -8.013 1.00 0.00 C ATOM 0 H VAL W 475 6.817 -0.733 -8.722 1.00 0.00 H new ATOM 0 HA VAL W 475 4.572 0.575 -7.493 1.00 0.00 H new ATOM 0 HB VAL W 475 4.363 -0.952 -9.480 1.00 0.00 H new ATOM 0 HG11 VAL W 475 4.577 -3.372 -9.173 1.00 0.00 H new ATOM 0 HG12 VAL W 475 6.124 -2.535 -8.899 1.00 0.00 H new ATOM 0 HG13 VAL W 475 5.168 -3.114 -7.514 1.00 0.00 H new ATOM 0 HG21 VAL W 475 2.396 -2.175 -8.672 1.00 0.00 H new ATOM 0 HG22 VAL W 475 2.883 -1.856 -6.991 1.00 0.00 H new ATOM 0 HG23 VAL W 475 2.429 -0.506 -8.057 1.00 0.00 H new ATOM 376 N PHE W 476 4.735 -0.211 -5.151 1.00 0.00 N ATOM 377 CA PHE W 476 4.745 -0.668 -3.765 1.00 0.00 C ATOM 378 C PHE W 476 3.432 -1.363 -3.408 1.00 0.00 C ATOM 379 O PHE W 476 2.511 -1.424 -4.222 1.00 0.00 O ATOM 380 CB PHE W 476 4.993 0.509 -2.820 1.00 0.00 C ATOM 381 CG PHE W 476 3.894 1.530 -2.833 1.00 0.00 C ATOM 382 CD1 PHE W 476 2.816 1.413 -1.974 1.00 0.00 C ATOM 383 CD2 PHE W 476 3.938 2.606 -3.706 1.00 0.00 C ATOM 384 CE1 PHE W 476 1.799 2.349 -1.982 1.00 0.00 C ATOM 385 CE2 PHE W 476 2.926 3.545 -3.720 1.00 0.00 C ATOM 386 CZ PHE W 476 1.855 3.417 -2.857 1.00 0.00 C ATOM 0 H PHE W 476 4.342 0.721 -5.284 1.00 0.00 H new ATOM 0 HA PHE W 476 5.554 -1.389 -3.652 1.00 0.00 H new ATOM 0 HB2 PHE W 476 5.114 0.130 -1.805 1.00 0.00 H new ATOM 0 HB3 PHE W 476 5.931 0.993 -3.094 1.00 0.00 H new ATOM 0 HD1 PHE W 476 2.768 0.580 -1.288 1.00 0.00 H new ATOM 0 HD2 PHE W 476 4.773 2.711 -4.383 1.00 0.00 H new ATOM 0 HE1 PHE W 476 0.963 2.246 -1.306 1.00 0.00 H new ATOM 0 HE2 PHE W 476 2.972 4.379 -4.405 1.00 0.00 H new ATOM 0 HZ PHE W 476 1.063 4.151 -2.866 1.00 0.00 H new ATOM 396 N PHE W 477 3.354 -1.885 -2.185 1.00 0.00 N ATOM 397 CA PHE W 477 2.151 -2.573 -1.723 1.00 0.00 C ATOM 398 C PHE W 477 1.383 -1.719 -0.715 1.00 0.00 C ATOM 399 O PHE W 477 1.979 -0.953 0.042 1.00 0.00 O ATOM 400 CB PHE W 477 2.517 -3.918 -1.095 1.00 0.00 C ATOM 401 CG PHE W 477 3.253 -4.837 -2.027 1.00 0.00 C ATOM 402 CD1 PHE W 477 4.560 -4.565 -2.399 1.00 0.00 C ATOM 403 CD2 PHE W 477 2.639 -5.973 -2.531 1.00 0.00 C ATOM 404 CE1 PHE W 477 5.241 -5.409 -3.255 1.00 0.00 C ATOM 405 CE2 PHE W 477 3.315 -6.820 -3.388 1.00 0.00 C ATOM 406 CZ PHE W 477 4.618 -6.538 -3.751 1.00 0.00 C ATOM 0 H PHE W 477 4.107 -1.845 -1.499 1.00 0.00 H new ATOM 0 HA PHE W 477 1.509 -2.745 -2.587 1.00 0.00 H new ATOM 0 HB2 PHE W 477 3.131 -3.742 -0.212 1.00 0.00 H new ATOM 0 HB3 PHE W 477 1.606 -4.411 -0.756 1.00 0.00 H new ATOM 0 HD1 PHE W 477 5.052 -3.683 -2.015 1.00 0.00 H new ATOM 0 HD2 PHE W 477 1.621 -6.199 -2.251 1.00 0.00 H new ATOM 0 HE1 PHE W 477 6.260 -5.186 -3.536 1.00 0.00 H new ATOM 0 HE2 PHE W 477 2.825 -7.702 -3.774 1.00 0.00 H new ATOM 0 HZ PHE W 477 5.148 -7.199 -4.421 1.00 0.00 H new ATOM 416 N ILE W 478 0.060 -1.855 -0.708 1.00 0.00 N ATOM 417 CA ILE W 478 -0.783 -1.092 0.209 1.00 0.00 C ATOM 418 C ILE W 478 -1.989 -1.909 0.657 1.00 0.00 C ATOM 419 O ILE W 478 -2.726 -2.434 -0.168 1.00 0.00 O ATOM 420 CB ILE W 478 -1.283 0.214 -0.451 1.00 0.00 C ATOM 421 CG1 ILE W 478 -2.204 0.997 0.497 1.00 0.00 C ATOM 422 CG2 ILE W 478 -1.993 -0.095 -1.759 1.00 0.00 C ATOM 423 CD1 ILE W 478 -2.990 2.117 -0.173 1.00 0.00 C ATOM 0 H ILE W 478 -0.451 -2.485 -1.326 1.00 0.00 H new ATOM 0 HA ILE W 478 -0.170 -0.848 1.077 1.00 0.00 H new ATOM 0 HB ILE W 478 -0.417 0.841 -0.665 1.00 0.00 H new ATOM 0 HG12 ILE W 478 -2.906 0.302 0.958 1.00 0.00 H new ATOM 0 HG13 ILE W 478 -1.602 1.422 1.300 1.00 0.00 H new ATOM 0 HG21 ILE W 478 -2.340 0.833 -2.213 1.00 0.00 H new ATOM 0 HG22 ILE W 478 -1.303 -0.595 -2.438 1.00 0.00 H new ATOM 0 HG23 ILE W 478 -2.846 -0.745 -1.565 1.00 0.00 H new ATOM 0 HD11 ILE W 478 -3.614 2.617 0.568 1.00 0.00 H new ATOM 0 HD12 ILE W 478 -2.298 2.837 -0.610 1.00 0.00 H new ATOM 0 HD13 ILE W 478 -3.622 1.700 -0.957 1.00 0.00 H new ATOM 435 N ASN W 479 -2.193 -2.004 1.965 1.00 0.00 N ATOM 436 CA ASN W 479 -3.320 -2.758 2.498 1.00 0.00 C ATOM 437 C ASN W 479 -4.513 -1.837 2.758 1.00 0.00 C ATOM 438 O ASN W 479 -4.342 -0.651 3.036 1.00 0.00 O ATOM 439 CB ASN W 479 -2.912 -3.493 3.780 1.00 0.00 C ATOM 440 CG ASN W 479 -2.820 -2.578 4.988 1.00 0.00 C ATOM 441 OD1 ASN W 479 -2.741 -1.358 4.852 1.00 0.00 O ATOM 442 ND2 ASN W 479 -2.827 -3.169 6.176 1.00 0.00 N ATOM 0 H ASN W 479 -1.598 -1.572 2.671 1.00 0.00 H new ATOM 0 HA ASN W 479 -3.620 -3.499 1.757 1.00 0.00 H new ATOM 0 HB2 ASN W 479 -3.635 -4.283 3.984 1.00 0.00 H new ATOM 0 HB3 ASN W 479 -1.948 -3.976 3.623 1.00 0.00 H new ATOM 0 HD21 ASN W 479 -2.765 -2.608 7.025 1.00 0.00 H new ATOM 0 HD22 ASN W 479 -2.894 -4.185 6.240 1.00 0.00 H new ATOM 449 N HIS W 480 -5.719 -2.389 2.651 1.00 0.00 N ATOM 450 CA HIS W 480 -6.935 -1.609 2.862 1.00 0.00 C ATOM 451 C HIS W 480 -7.645 -2.005 4.155 1.00 0.00 C ATOM 452 O HIS W 480 -8.818 -1.685 4.346 1.00 0.00 O ATOM 453 CB HIS W 480 -7.886 -1.784 1.677 1.00 0.00 C ATOM 454 CG HIS W 480 -7.545 -0.918 0.503 1.00 0.00 C ATOM 455 ND1 HIS W 480 -8.521 -0.399 -0.311 1.00 0.00 N ATOM 456 CD2 HIS W 480 -6.332 -0.514 0.054 1.00 0.00 C ATOM 457 CE1 HIS W 480 -7.887 0.305 -1.232 1.00 0.00 C ATOM 458 NE2 HIS W 480 -6.558 0.265 -1.051 1.00 0.00 N ATOM 0 H HIS W 480 -5.880 -3.369 2.420 1.00 0.00 H new ATOM 0 HA HIS W 480 -6.642 -0.562 2.946 1.00 0.00 H new ATOM 0 HB2 HIS W 480 -7.875 -2.828 1.364 1.00 0.00 H new ATOM 0 HB3 HIS W 480 -8.902 -1.559 2.001 1.00 0.00 H new ATOM 0 HD2 HIS W 480 -5.372 -0.759 0.484 1.00 0.00 H new ATOM 0 HE1 HIS W 480 -8.376 0.844 -2.029 1.00 0.00 H new ATOM 0 HE2 HIS W 480 -5.852 0.726 -1.625 1.00 0.00 H new ATOM 466 N ASN W 481 -6.934 -2.691 5.045 1.00 0.00 N ATOM 467 CA ASN W 481 -7.517 -3.110 6.317 1.00 0.00 C ATOM 468 C ASN W 481 -7.342 -2.022 7.368 1.00 0.00 C ATOM 469 O ASN W 481 -8.283 -1.675 8.083 1.00 0.00 O ATOM 470 CB ASN W 481 -6.879 -4.412 6.805 1.00 0.00 C ATOM 471 CG ASN W 481 -6.542 -5.360 5.672 1.00 0.00 C ATOM 472 OD1 ASN W 481 -5.316 -5.267 5.173 1.00 0.00 O flip ATOM 473 ND2 ASN W 481 -7.372 -6.166 5.251 1.00 0.00 N flip ATOM 0 H ASN W 481 -5.961 -2.967 4.912 1.00 0.00 H new ATOM 0 HA ASN W 481 -8.582 -3.282 6.159 1.00 0.00 H new ATOM 0 HB2 ASN W 481 -5.971 -4.180 7.361 1.00 0.00 H new ATOM 0 HB3 ASN W 481 -7.559 -4.908 7.498 1.00 0.00 H new ATOM 0 HD21 ASN W 481 -8.303 -6.202 5.665 1.00 0.00 H new ATOM 0 HD22 ASN W 481 -7.128 -6.798 4.488 1.00 0.00 H new ATOM 480 N ILE W 482 -6.132 -1.481 7.450 1.00 0.00 N ATOM 481 CA ILE W 482 -5.826 -0.424 8.405 1.00 0.00 C ATOM 482 C ILE W 482 -5.116 0.735 7.715 1.00 0.00 C ATOM 483 O ILE W 482 -4.371 1.485 8.345 1.00 0.00 O ATOM 484 CB ILE W 482 -4.945 -0.941 9.558 1.00 0.00 C ATOM 485 CG1 ILE W 482 -3.863 -1.881 9.024 1.00 0.00 C ATOM 486 CG2 ILE W 482 -5.797 -1.645 10.602 1.00 0.00 C ATOM 487 CD1 ILE W 482 -3.055 -2.552 10.113 1.00 0.00 C ATOM 0 H ILE W 482 -5.345 -1.759 6.864 1.00 0.00 H new ATOM 0 HA ILE W 482 -6.774 -0.079 8.817 1.00 0.00 H new ATOM 0 HB ILE W 482 -4.457 -0.088 10.030 1.00 0.00 H new ATOM 0 HG12 ILE W 482 -4.331 -2.647 8.406 1.00 0.00 H new ATOM 0 HG13 ILE W 482 -3.190 -1.317 8.378 1.00 0.00 H new ATOM 0 HG21 ILE W 482 -5.159 -2.004 11.410 1.00 0.00 H new ATOM 0 HG22 ILE W 482 -6.532 -0.947 11.003 1.00 0.00 H new ATOM 0 HG23 ILE W 482 -6.311 -2.489 10.143 1.00 0.00 H new ATOM 0 HD11 ILE W 482 -2.307 -3.204 9.662 1.00 0.00 H new ATOM 0 HD12 ILE W 482 -2.558 -1.793 10.717 1.00 0.00 H new ATOM 0 HD13 ILE W 482 -3.717 -3.143 10.745 1.00 0.00 H new ATOM 499 N LYS W 483 -5.355 0.874 6.411 1.00 0.00 N ATOM 500 CA LYS W 483 -4.744 1.939 5.617 1.00 0.00 C ATOM 501 C LYS W 483 -3.268 2.119 5.966 1.00 0.00 C ATOM 502 O LYS W 483 -2.893 3.069 6.653 1.00 0.00 O ATOM 503 CB LYS W 483 -5.495 3.258 5.828 1.00 0.00 C ATOM 504 CG LYS W 483 -6.986 3.085 6.082 1.00 0.00 C ATOM 505 CD LYS W 483 -7.609 2.088 5.118 1.00 0.00 C ATOM 506 CE LYS W 483 -8.920 2.606 4.550 1.00 0.00 C ATOM 507 NZ LYS W 483 -9.740 1.514 3.957 1.00 0.00 N ATOM 0 H LYS W 483 -5.971 0.258 5.880 1.00 0.00 H new ATOM 0 HA LYS W 483 -4.811 1.650 4.568 1.00 0.00 H new ATOM 0 HB2 LYS W 483 -5.052 3.786 6.672 1.00 0.00 H new ATOM 0 HB3 LYS W 483 -5.357 3.888 4.949 1.00 0.00 H new ATOM 0 HG2 LYS W 483 -7.144 2.748 7.106 1.00 0.00 H new ATOM 0 HG3 LYS W 483 -7.486 4.048 5.983 1.00 0.00 H new ATOM 0 HD2 LYS W 483 -6.914 1.885 4.304 1.00 0.00 H new ATOM 0 HD3 LYS W 483 -7.782 1.143 5.632 1.00 0.00 H new ATOM 0 HE2 LYS W 483 -9.488 3.098 5.339 1.00 0.00 H new ATOM 0 HE3 LYS W 483 -8.713 3.359 3.789 1.00 0.00 H new ATOM 0 HZ1 LYS W 483 -9.804 1.647 2.928 1.00 0.00 H new ATOM 0 HZ2 LYS W 483 -9.295 0.596 4.160 1.00 0.00 H new ATOM 0 HZ3 LYS W 483 -10.695 1.534 4.368 1.00 0.00 H new ATOM 521 N LYS W 484 -2.438 1.197 5.488 1.00 0.00 N ATOM 522 CA LYS W 484 -1.004 1.250 5.750 1.00 0.00 C ATOM 523 C LYS W 484 -0.217 0.595 4.621 1.00 0.00 C ATOM 524 O LYS W 484 -0.327 -0.609 4.390 1.00 0.00 O ATOM 525 CB LYS W 484 -0.683 0.561 7.075 1.00 0.00 C ATOM 526 CG LYS W 484 0.365 1.288 7.902 1.00 0.00 C ATOM 527 CD LYS W 484 1.129 0.327 8.798 1.00 0.00 C ATOM 528 CE LYS W 484 2.631 0.509 8.659 1.00 0.00 C ATOM 529 NZ LYS W 484 3.372 -0.066 9.816 1.00 0.00 N ATOM 0 H LYS W 484 -2.734 0.405 4.918 1.00 0.00 H new ATOM 0 HA LYS W 484 -0.711 2.298 5.811 1.00 0.00 H new ATOM 0 HB2 LYS W 484 -1.598 0.473 7.660 1.00 0.00 H new ATOM 0 HB3 LYS W 484 -0.335 -0.452 6.873 1.00 0.00 H new ATOM 0 HG2 LYS W 484 1.062 1.802 7.239 1.00 0.00 H new ATOM 0 HG3 LYS W 484 -0.117 2.052 8.512 1.00 0.00 H new ATOM 0 HD2 LYS W 484 0.837 0.486 9.836 1.00 0.00 H new ATOM 0 HD3 LYS W 484 0.861 -0.699 8.545 1.00 0.00 H new ATOM 0 HE2 LYS W 484 2.970 0.033 7.739 1.00 0.00 H new ATOM 0 HE3 LYS W 484 2.861 1.571 8.573 1.00 0.00 H new ATOM 0 HZ1 LYS W 484 4.393 0.079 9.681 1.00 0.00 H new ATOM 0 HZ2 LYS W 484 3.068 0.405 10.692 1.00 0.00 H new ATOM 0 HZ3 LYS W 484 3.173 -1.085 9.884 1.00 0.00 H new ATOM 543 N THR W 485 0.579 1.395 3.922 1.00 0.00 N ATOM 544 CA THR W 485 1.389 0.897 2.816 1.00 0.00 C ATOM 545 C THR W 485 2.808 0.578 3.279 1.00 0.00 C ATOM 546 O THR W 485 3.196 0.915 4.397 1.00 0.00 O ATOM 547 CB THR W 485 1.456 1.916 1.664 1.00 0.00 C ATOM 548 OG1 THR W 485 2.384 1.469 0.668 1.00 0.00 O ATOM 549 CG2 THR W 485 1.875 3.285 2.176 1.00 0.00 C ATOM 0 H THR W 485 0.681 2.394 4.102 1.00 0.00 H new ATOM 0 HA THR W 485 0.910 -0.014 2.457 1.00 0.00 H new ATOM 0 HB THR W 485 0.462 1.999 1.224 1.00 0.00 H new ATOM 0 HG1 THR W 485 2.360 2.079 -0.098 1.00 0.00 H new ATOM 0 HG21 THR W 485 1.915 3.988 1.344 1.00 0.00 H new ATOM 0 HG22 THR W 485 1.152 3.635 2.912 1.00 0.00 H new ATOM 0 HG23 THR W 485 2.859 3.215 2.639 1.00 0.00 H new ATOM 557 N GLN W 486 3.580 -0.077 2.414 1.00 0.00 N ATOM 558 CA GLN W 486 4.954 -0.439 2.740 1.00 0.00 C ATOM 559 C GLN W 486 5.768 -0.684 1.474 1.00 0.00 C ATOM 560 O GLN W 486 5.236 -1.134 0.457 1.00 0.00 O ATOM 561 CB GLN W 486 4.968 -1.692 3.611 1.00 0.00 C ATOM 562 CG GLN W 486 4.018 -2.766 3.115 1.00 0.00 C ATOM 563 CD GLN W 486 4.368 -4.142 3.637 1.00 0.00 C ATOM 564 OE1 GLN W 486 4.011 -4.505 4.757 1.00 0.00 O ATOM 565 NE2 GLN W 486 5.068 -4.916 2.820 1.00 0.00 N ATOM 0 H GLN W 486 3.276 -0.367 1.484 1.00 0.00 H new ATOM 0 HA GLN W 486 5.405 0.390 3.286 1.00 0.00 H new ATOM 0 HB2 GLN W 486 5.980 -2.095 3.642 1.00 0.00 H new ATOM 0 HB3 GLN W 486 4.701 -1.421 4.633 1.00 0.00 H new ATOM 0 HG2 GLN W 486 3.002 -2.515 3.418 1.00 0.00 H new ATOM 0 HG3 GLN W 486 4.031 -2.781 2.025 1.00 0.00 H new ATOM 0 HE21 GLN W 486 5.341 -4.571 1.900 1.00 0.00 H new ATOM 0 HE22 GLN W 486 5.333 -5.857 3.111 1.00 0.00 H new ATOM 574 N TRP W 487 7.061 -0.388 1.545 1.00 0.00 N ATOM 575 CA TRP W 487 7.956 -0.576 0.409 1.00 0.00 C ATOM 576 C TRP W 487 8.232 -2.057 0.170 1.00 0.00 C ATOM 577 O TRP W 487 8.239 -2.522 -0.970 1.00 0.00 O ATOM 578 CB TRP W 487 9.272 0.168 0.644 1.00 0.00 C ATOM 579 CG TRP W 487 9.350 1.481 -0.075 1.00 0.00 C ATOM 580 CD1 TRP W 487 9.572 2.708 0.482 1.00 0.00 C ATOM 581 CD2 TRP W 487 9.207 1.698 -1.484 1.00 0.00 C ATOM 582 NE1 TRP W 487 9.575 3.674 -0.495 1.00 0.00 N ATOM 583 CE2 TRP W 487 9.354 3.079 -1.709 1.00 0.00 C ATOM 584 CE3 TRP W 487 8.970 0.858 -2.576 1.00 0.00 C ATOM 585 CZ2 TRP W 487 9.271 3.639 -2.981 1.00 0.00 C ATOM 586 CZ3 TRP W 487 8.887 1.415 -3.838 1.00 0.00 C ATOM 587 CH2 TRP W 487 9.038 2.794 -4.032 1.00 0.00 C ATOM 0 H TRP W 487 7.514 -0.016 2.380 1.00 0.00 H new ATOM 0 HA TRP W 487 7.468 -0.170 -0.477 1.00 0.00 H new ATOM 0 HB2 TRP W 487 9.398 0.340 1.713 1.00 0.00 H new ATOM 0 HB3 TRP W 487 10.100 -0.464 0.323 1.00 0.00 H new ATOM 0 HD1 TRP W 487 9.723 2.892 1.535 1.00 0.00 H new ATOM 0 HE1 TRP W 487 9.718 4.672 -0.341 1.00 0.00 H new ATOM 0 HE3 TRP W 487 8.854 -0.207 -2.436 1.00 0.00 H new ATOM 0 HZ2 TRP W 487 9.386 4.702 -3.133 1.00 0.00 H new ATOM 0 HZ3 TRP W 487 8.703 0.776 -4.689 1.00 0.00 H new ATOM 0 HH2 TRP W 487 8.969 3.199 -5.031 1.00 0.00 H new ATOM 598 N GLU W 488 8.462 -2.794 1.253 1.00 0.00 N ATOM 599 CA GLU W 488 8.744 -4.223 1.162 1.00 0.00 C ATOM 600 C GLU W 488 7.569 -4.975 0.545 1.00 0.00 C ATOM 601 O GLU W 488 6.511 -4.398 0.296 1.00 0.00 O ATOM 602 CB GLU W 488 9.055 -4.792 2.549 1.00 0.00 C ATOM 603 CG GLU W 488 10.528 -4.724 2.917 1.00 0.00 C ATOM 604 CD GLU W 488 10.859 -3.516 3.771 1.00 0.00 C ATOM 605 OE1 GLU W 488 9.924 -2.923 4.351 1.00 0.00 O ATOM 606 OE2 GLU W 488 12.054 -3.162 3.862 1.00 0.00 O ATOM 0 H GLU W 488 8.459 -2.425 2.204 1.00 0.00 H new ATOM 0 HA GLU W 488 9.613 -4.354 0.518 1.00 0.00 H new ATOM 0 HB2 GLU W 488 8.477 -4.246 3.295 1.00 0.00 H new ATOM 0 HB3 GLU W 488 8.726 -5.831 2.589 1.00 0.00 H new ATOM 0 HG2 GLU W 488 10.807 -5.631 3.453 1.00 0.00 H new ATOM 0 HG3 GLU W 488 11.126 -4.695 2.006 1.00 0.00 H new ATOM 613 N ASP W 489 7.765 -6.268 0.302 1.00 0.00 N ATOM 614 CA ASP W 489 6.722 -7.103 -0.284 1.00 0.00 C ATOM 615 C ASP W 489 6.113 -8.028 0.771 1.00 0.00 C ATOM 616 O ASP W 489 6.787 -8.923 1.280 1.00 0.00 O ATOM 617 CB ASP W 489 7.296 -7.933 -1.433 1.00 0.00 C ATOM 618 CG ASP W 489 8.038 -7.085 -2.446 1.00 0.00 C ATOM 619 OD1 ASP W 489 9.022 -6.420 -2.058 1.00 0.00 O ATOM 620 OD2 ASP W 489 7.636 -7.085 -3.629 1.00 0.00 O ATOM 0 H ASP W 489 8.636 -6.760 0.502 1.00 0.00 H new ATOM 0 HA ASP W 489 5.938 -6.451 -0.669 1.00 0.00 H new ATOM 0 HB2 ASP W 489 7.972 -8.687 -1.030 1.00 0.00 H new ATOM 0 HB3 ASP W 489 6.486 -8.465 -1.933 1.00 0.00 H new ATOM 625 N PRO W 490 4.829 -7.827 1.119 1.00 0.00 N ATOM 626 CA PRO W 490 4.148 -8.652 2.121 1.00 0.00 C ATOM 627 C PRO W 490 3.774 -10.031 1.589 1.00 0.00 C ATOM 628 O PRO W 490 3.777 -11.014 2.331 1.00 0.00 O ATOM 629 CB PRO W 490 2.892 -7.844 2.444 1.00 0.00 C ATOM 630 CG PRO W 490 2.606 -7.077 1.199 1.00 0.00 C ATOM 631 CD PRO W 490 3.942 -6.781 0.570 1.00 0.00 C ATOM 0 HA PRO W 490 4.782 -8.849 2.985 1.00 0.00 H new ATOM 0 HB2 PRO W 490 2.059 -8.495 2.708 1.00 0.00 H new ATOM 0 HB3 PRO W 490 3.056 -7.178 3.291 1.00 0.00 H new ATOM 0 HG2 PRO W 490 1.977 -7.655 0.522 1.00 0.00 H new ATOM 0 HG3 PRO W 490 2.069 -6.155 1.424 1.00 0.00 H new ATOM 0 HD2 PRO W 490 3.892 -6.830 -0.518 1.00 0.00 H new ATOM 0 HD3 PRO W 490 4.293 -5.782 0.829 1.00 0.00 H new ATOM 639 N ARG W 491 3.452 -10.101 0.301 1.00 0.00 N ATOM 640 CA ARG W 491 3.074 -11.364 -0.324 1.00 0.00 C ATOM 641 C ARG W 491 4.289 -12.267 -0.523 1.00 0.00 C ATOM 642 O ARG W 491 4.154 -13.482 -0.658 1.00 0.00 O ATOM 643 CB ARG W 491 2.390 -11.112 -1.668 1.00 0.00 C ATOM 644 CG ARG W 491 3.093 -10.072 -2.525 1.00 0.00 C ATOM 645 CD ARG W 491 2.820 -10.293 -4.004 1.00 0.00 C ATOM 646 NE ARG W 491 3.190 -11.637 -4.434 1.00 0.00 N ATOM 647 CZ ARG W 491 2.907 -12.132 -5.635 1.00 0.00 C ATOM 648 NH1 ARG W 491 2.261 -11.389 -6.524 1.00 0.00 N ATOM 649 NH2 ARG W 491 3.271 -13.367 -5.949 1.00 0.00 N ATOM 0 H ARG W 491 3.445 -9.299 -0.330 1.00 0.00 H new ATOM 0 HA ARG W 491 2.376 -11.869 0.344 1.00 0.00 H new ATOM 0 HB2 ARG W 491 2.337 -12.050 -2.221 1.00 0.00 H new ATOM 0 HB3 ARG W 491 1.364 -10.790 -1.489 1.00 0.00 H new ATOM 0 HG2 ARG W 491 2.759 -9.075 -2.237 1.00 0.00 H new ATOM 0 HG3 ARG W 491 4.167 -10.113 -2.342 1.00 0.00 H new ATOM 0 HD2 ARG W 491 1.762 -10.126 -4.206 1.00 0.00 H new ATOM 0 HD3 ARG W 491 3.376 -9.560 -4.589 1.00 0.00 H new ATOM 0 HE ARG W 491 3.695 -12.231 -3.776 1.00 0.00 H new ATOM 0 HH11 ARG W 491 1.981 -10.437 -6.286 1.00 0.00 H new ATOM 0 HH12 ARG W 491 2.044 -11.769 -7.445 1.00 0.00 H new ATOM 0 HH21 ARG W 491 3.770 -13.940 -5.268 1.00 0.00 H new ATOM 0 HH22 ARG W 491 3.053 -13.744 -6.871 1.00 0.00 H new ATOM 663 N MET W 492 5.475 -11.665 -0.543 1.00 0.00 N ATOM 664 CA MET W 492 6.709 -12.419 -0.728 1.00 0.00 C ATOM 665 C MET W 492 7.209 -12.982 0.598 1.00 0.00 C ATOM 666 O MET W 492 7.744 -14.089 0.651 1.00 0.00 O ATOM 667 CB MET W 492 7.783 -11.529 -1.356 1.00 0.00 C ATOM 668 CG MET W 492 8.482 -12.168 -2.544 1.00 0.00 C ATOM 669 SD MET W 492 8.118 -11.329 -4.098 1.00 0.00 S ATOM 670 CE MET W 492 9.704 -11.438 -4.922 1.00 0.00 C ATOM 0 H MET W 492 5.607 -10.659 -0.434 1.00 0.00 H new ATOM 0 HA MET W 492 6.499 -13.253 -1.398 1.00 0.00 H new ATOM 0 HB2 MET W 492 7.326 -10.592 -1.674 1.00 0.00 H new ATOM 0 HB3 MET W 492 8.526 -11.280 -0.598 1.00 0.00 H new ATOM 0 HG2 MET W 492 9.559 -12.160 -2.375 1.00 0.00 H new ATOM 0 HG3 MET W 492 8.179 -13.212 -2.620 1.00 0.00 H new ATOM 0 HE1 MET W 492 9.639 -10.961 -5.900 1.00 0.00 H new ATOM 0 HE2 MET W 492 10.461 -10.934 -4.322 1.00 0.00 H new ATOM 0 HE3 MET W 492 9.978 -12.486 -5.047 1.00 0.00 H new ATOM 680 N GLN W 493 7.032 -12.213 1.667 1.00 0.00 N ATOM 681 CA GLN W 493 7.466 -12.637 2.994 1.00 0.00 C ATOM 682 C GLN W 493 6.511 -13.677 3.570 1.00 0.00 C ATOM 683 O GLN W 493 5.716 -13.379 4.460 1.00 0.00 O ATOM 684 CB GLN W 493 7.555 -11.433 3.933 1.00 0.00 C ATOM 685 CG GLN W 493 8.783 -10.569 3.696 1.00 0.00 C ATOM 686 CD GLN W 493 10.073 -11.276 4.062 1.00 0.00 C ATOM 687 OE1 GLN W 493 10.515 -11.230 5.210 1.00 0.00 O ATOM 688 NE2 GLN W 493 10.684 -11.936 3.085 1.00 0.00 N ATOM 0 H GLN W 493 6.591 -11.293 1.641 1.00 0.00 H new ATOM 0 HA GLN W 493 8.454 -13.089 2.900 1.00 0.00 H new ATOM 0 HB2 GLN W 493 6.661 -10.821 3.812 1.00 0.00 H new ATOM 0 HB3 GLN W 493 7.562 -11.786 4.964 1.00 0.00 H new ATOM 0 HG2 GLN W 493 8.819 -10.275 2.647 1.00 0.00 H new ATOM 0 HG3 GLN W 493 8.697 -9.653 4.281 1.00 0.00 H new ATOM 0 HE21 GLN W 493 10.282 -11.947 2.148 1.00 0.00 H new ATOM 0 HE22 GLN W 493 11.556 -12.432 3.272 1.00 0.00 H new ATOM 697 N ASN W 494 6.597 -14.900 3.056 1.00 0.00 N ATOM 698 CA ASN W 494 5.740 -15.985 3.519 1.00 0.00 C ATOM 699 C ASN W 494 6.291 -17.338 3.082 1.00 0.00 C ATOM 700 O ASN W 494 6.707 -17.509 1.936 1.00 0.00 O ATOM 701 CB ASN W 494 4.319 -15.802 2.985 1.00 0.00 C ATOM 702 CG ASN W 494 4.294 -15.507 1.497 1.00 0.00 C ATOM 703 OD1 ASN W 494 5.326 -15.217 0.893 1.00 0.00 O ATOM 704 ND2 ASN W 494 3.111 -15.580 0.899 1.00 0.00 N ATOM 0 H ASN W 494 7.251 -15.164 2.319 1.00 0.00 H new ATOM 0 HA ASN W 494 5.717 -15.958 4.608 1.00 0.00 H new ATOM 0 HB2 ASN W 494 3.740 -16.704 3.184 1.00 0.00 H new ATOM 0 HB3 ASN W 494 3.834 -14.987 3.522 1.00 0.00 H new ATOM 0 HD21 ASN W 494 3.032 -15.392 -0.100 1.00 0.00 H new ATOM 0 HD22 ASN W 494 2.281 -15.824 1.439 1.00 0.00 H new ATOM 711 N VAL W 495 6.288 -18.297 4.001 1.00 0.00 N ATOM 712 CA VAL W 495 6.786 -19.635 3.709 1.00 0.00 C ATOM 713 C VAL W 495 6.237 -20.654 4.702 1.00 0.00 C ATOM 714 O VAL W 495 6.908 -21.627 5.046 1.00 0.00 O ATOM 715 CB VAL W 495 8.327 -19.683 3.736 1.00 0.00 C ATOM 716 CG1 VAL W 495 8.852 -19.446 5.144 1.00 0.00 C ATOM 717 CG2 VAL W 495 8.827 -21.012 3.188 1.00 0.00 C ATOM 0 H VAL W 495 5.946 -18.172 4.954 1.00 0.00 H new ATOM 0 HA VAL W 495 6.442 -19.888 2.706 1.00 0.00 H new ATOM 0 HB VAL W 495 8.706 -18.884 3.098 1.00 0.00 H new ATOM 0 HG11 VAL W 495 9.941 -19.485 5.137 1.00 0.00 H new ATOM 0 HG12 VAL W 495 8.526 -18.467 5.494 1.00 0.00 H new ATOM 0 HG13 VAL W 495 8.466 -20.217 5.811 1.00 0.00 H new ATOM 0 HG21 VAL W 495 9.917 -21.030 3.214 1.00 0.00 H new ATOM 0 HG22 VAL W 495 8.436 -21.827 3.797 1.00 0.00 H new ATOM 0 HG23 VAL W 495 8.487 -21.133 2.160 1.00 0.00 H new ATOM 727 N ALA W 496 5.011 -20.422 5.160 1.00 0.00 N ATOM 728 CA ALA W 496 4.370 -21.318 6.114 1.00 0.00 C ATOM 729 C ALA W 496 2.890 -20.983 6.263 1.00 0.00 C ATOM 730 O ALA W 496 2.480 -19.838 6.075 1.00 0.00 O ATOM 731 CB ALA W 496 5.070 -21.241 7.462 1.00 0.00 C ATOM 0 H ALA W 496 4.442 -19.621 4.886 1.00 0.00 H new ATOM 0 HA ALA W 496 4.451 -22.337 5.735 1.00 0.00 H new ATOM 0 HB1 ALA W 496 4.581 -21.915 8.165 1.00 0.00 H new ATOM 0 HB2 ALA W 496 6.114 -21.532 7.347 1.00 0.00 H new ATOM 0 HB3 ALA W 496 5.017 -20.221 7.842 1.00 0.00 H new ATOM 737 N ILE W 497 2.091 -21.990 6.602 1.00 0.00 N ATOM 738 CA ILE W 497 0.656 -21.800 6.776 1.00 0.00 C ATOM 739 C ILE W 497 0.058 -22.898 7.649 1.00 0.00 C ATOM 740 O ILE W 497 0.768 -23.788 8.116 1.00 0.00 O ATOM 741 CB ILE W 497 -0.076 -21.783 5.420 1.00 0.00 C ATOM 742 CG1 ILE W 497 0.249 -23.051 4.628 1.00 0.00 C ATOM 743 CG2 ILE W 497 0.308 -20.544 4.626 1.00 0.00 C ATOM 744 CD1 ILE W 497 -0.784 -24.148 4.795 1.00 0.00 C ATOM 0 H ILE W 497 2.413 -22.945 6.761 1.00 0.00 H new ATOM 0 HA ILE W 497 0.521 -20.836 7.266 1.00 0.00 H new ATOM 0 HB ILE W 497 -1.150 -21.754 5.603 1.00 0.00 H new ATOM 0 HG12 ILE W 497 0.332 -22.799 3.571 1.00 0.00 H new ATOM 0 HG13 ILE W 497 1.222 -23.428 4.943 1.00 0.00 H new ATOM 0 HG21 ILE W 497 -0.217 -20.547 3.671 1.00 0.00 H new ATOM 0 HG22 ILE W 497 0.033 -19.652 5.189 1.00 0.00 H new ATOM 0 HG23 ILE W 497 1.383 -20.544 4.449 1.00 0.00 H new ATOM 0 HD11 ILE W 497 -0.490 -25.017 4.206 1.00 0.00 H new ATOM 0 HD12 ILE W 497 -0.851 -24.428 5.846 1.00 0.00 H new ATOM 0 HD13 ILE W 497 -1.755 -23.789 4.453 1.00 0.00 H new ATOM 756 N THR W 498 -1.252 -22.828 7.863 1.00 0.00 N ATOM 757 CA THR W 498 -1.946 -23.818 8.678 1.00 0.00 C ATOM 758 C THR W 498 -3.151 -24.390 7.940 1.00 0.00 C ATOM 759 O THR W 498 -3.965 -23.647 7.391 1.00 0.00 O ATOM 760 CB THR W 498 -2.417 -23.215 10.015 1.00 0.00 C ATOM 761 OG1 THR W 498 -3.420 -24.052 10.604 1.00 0.00 O ATOM 762 CG2 THR W 498 -2.974 -21.815 9.812 1.00 0.00 C ATOM 0 H THR W 498 -1.854 -22.097 7.484 1.00 0.00 H new ATOM 0 HA THR W 498 -1.233 -24.617 8.879 1.00 0.00 H new ATOM 0 HB THR W 498 -1.557 -23.153 10.682 1.00 0.00 H new ATOM 0 HG1 THR W 498 -3.713 -23.663 11.454 1.00 0.00 H new ATOM 0 HG21 THR W 498 -3.300 -21.411 10.770 1.00 0.00 H new ATOM 0 HG22 THR W 498 -2.200 -21.173 9.392 1.00 0.00 H new ATOM 0 HG23 THR W 498 -3.822 -21.856 9.128 1.00 0.00 H new ATOM 770 N GLY W 499 -3.259 -25.714 7.929 1.00 0.00 N ATOM 771 CA GLY W 499 -4.367 -26.362 7.254 1.00 0.00 C ATOM 772 C GLY W 499 -4.886 -27.566 8.017 1.00 0.00 C ATOM 773 O GLY W 499 -4.139 -28.101 8.862 1.00 0.00 O ATOM 774 OXT GLY W 499 -6.042 -27.972 7.769 1.00 0.00 O ATOM 0 H GLY W 499 -2.598 -26.350 8.376 1.00 0.00 H new ATOM 0 HA2 GLY W 499 -5.176 -25.644 7.119 1.00 0.00 H new ATOM 0 HA3 GLY W 499 -4.050 -26.675 6.259 1.00 0.00 H new TER 778 GLY W 499 ATOM 779 N GLY B 605 20.649 17.383 -7.300 1.00 0.00 N ATOM 780 CA GLY B 605 21.389 17.060 -6.048 1.00 0.00 C ATOM 781 C GLY B 605 20.583 16.187 -5.106 1.00 0.00 C ATOM 782 O GLY B 605 20.472 16.484 -3.917 1.00 0.00 O ATOM 0 HA2 GLY B 605 22.320 16.553 -6.301 1.00 0.00 H new ATOM 0 HA3 GLY B 605 21.658 17.986 -5.540 1.00 0.00 H new ATOM 788 N SER B 606 20.018 15.108 -5.639 1.00 0.00 N ATOM 789 CA SER B 606 19.219 14.189 -4.838 1.00 0.00 C ATOM 790 C SER B 606 20.110 13.205 -4.089 1.00 0.00 C ATOM 791 O SER B 606 20.203 13.245 -2.862 1.00 0.00 O ATOM 792 CB SER B 606 18.236 13.427 -5.730 1.00 0.00 C ATOM 793 OG SER B 606 17.094 13.017 -4.997 1.00 0.00 O ATOM 0 H SER B 606 20.099 14.849 -6.622 1.00 0.00 H new ATOM 0 HA SER B 606 18.660 14.774 -4.107 1.00 0.00 H new ATOM 0 HB2 SER B 606 17.929 14.060 -6.563 1.00 0.00 H new ATOM 0 HB3 SER B 606 18.730 12.555 -6.158 1.00 0.00 H new ATOM 0 HG SER B 606 16.481 12.534 -5.590 1.00 0.00 H new ATOM 799 N THR B 607 20.766 12.323 -4.835 1.00 0.00 N ATOM 800 CA THR B 607 21.652 11.329 -4.245 1.00 0.00 C ATOM 801 C THR B 607 20.867 10.287 -3.454 1.00 0.00 C ATOM 802 O THR B 607 20.737 9.140 -3.882 1.00 0.00 O ATOM 803 CB THR B 607 22.695 11.984 -3.320 1.00 0.00 C ATOM 804 OG1 THR B 607 22.782 13.387 -3.595 1.00 0.00 O ATOM 805 CG2 THR B 607 24.060 11.342 -3.506 1.00 0.00 C ATOM 0 H THR B 607 20.700 12.277 -5.852 1.00 0.00 H new ATOM 0 HA THR B 607 22.167 10.838 -5.070 1.00 0.00 H new ATOM 0 HB THR B 607 22.377 11.835 -2.288 1.00 0.00 H new ATOM 0 HG1 THR B 607 23.446 13.796 -3.002 1.00 0.00 H new ATOM 0 HG21 THR B 607 24.781 11.821 -2.843 1.00 0.00 H new ATOM 0 HG22 THR B 607 23.998 10.280 -3.269 1.00 0.00 H new ATOM 0 HG23 THR B 607 24.382 11.464 -4.540 1.00 0.00 H new ATOM 813 N LEU B 608 20.342 10.693 -2.302 1.00 0.00 N ATOM 814 CA LEU B 608 19.570 9.794 -1.451 1.00 0.00 C ATOM 815 C LEU B 608 18.407 9.172 -2.225 1.00 0.00 C ATOM 816 O LEU B 608 17.427 9.850 -2.532 1.00 0.00 O ATOM 817 CB LEU B 608 19.036 10.550 -0.233 1.00 0.00 C ATOM 818 CG LEU B 608 18.053 9.766 0.638 1.00 0.00 C ATOM 819 CD1 LEU B 608 18.535 9.721 2.080 1.00 0.00 C ATOM 820 CD2 LEU B 608 16.663 10.378 0.557 1.00 0.00 C ATOM 0 H LEU B 608 20.437 11.640 -1.936 1.00 0.00 H new ATOM 0 HA LEU B 608 20.230 8.993 -1.117 1.00 0.00 H new ATOM 0 HB2 LEU B 608 19.881 10.856 0.385 1.00 0.00 H new ATOM 0 HB3 LEU B 608 18.546 11.461 -0.576 1.00 0.00 H new ATOM 0 HG LEU B 608 18.000 8.744 0.263 1.00 0.00 H new ATOM 0 HD11 LEU B 608 17.823 9.159 2.684 1.00 0.00 H new ATOM 0 HD12 LEU B 608 19.510 9.235 2.123 1.00 0.00 H new ATOM 0 HD13 LEU B 608 18.618 10.736 2.468 1.00 0.00 H new ATOM 0 HD21 LEU B 608 15.977 9.807 1.183 1.00 0.00 H new ATOM 0 HD22 LEU B 608 16.699 11.410 0.906 1.00 0.00 H new ATOM 0 HD23 LEU B 608 16.315 10.356 -0.476 1.00 0.00 H new ATOM 832 N PRO B 609 18.496 7.869 -2.553 1.00 0.00 N ATOM 833 CA PRO B 609 17.447 7.170 -3.292 1.00 0.00 C ATOM 834 C PRO B 609 16.323 6.678 -2.385 1.00 0.00 C ATOM 835 O PRO B 609 15.154 6.691 -2.765 1.00 0.00 O ATOM 836 CB PRO B 609 18.197 5.989 -3.900 1.00 0.00 C ATOM 837 CG PRO B 609 19.261 5.672 -2.903 1.00 0.00 C ATOM 838 CD PRO B 609 19.628 6.975 -2.234 1.00 0.00 C ATOM 0 HA PRO B 609 16.955 7.813 -4.022 1.00 0.00 H new ATOM 0 HB2 PRO B 609 17.535 5.138 -4.059 1.00 0.00 H new ATOM 0 HB3 PRO B 609 18.624 6.246 -4.869 1.00 0.00 H new ATOM 0 HG2 PRO B 609 18.903 4.948 -2.171 1.00 0.00 H new ATOM 0 HG3 PRO B 609 20.129 5.229 -3.391 1.00 0.00 H new ATOM 0 HD2 PRO B 609 19.749 6.851 -1.158 1.00 0.00 H new ATOM 0 HD3 PRO B 609 20.569 7.370 -2.617 1.00 0.00 H new ATOM 846 N ILE B 610 16.690 6.241 -1.184 1.00 0.00 N ATOM 847 CA ILE B 610 15.714 5.740 -0.223 1.00 0.00 C ATOM 848 C ILE B 610 15.832 6.472 1.113 1.00 0.00 C ATOM 849 O ILE B 610 16.726 6.185 1.908 1.00 0.00 O ATOM 850 CB ILE B 610 15.894 4.228 0.021 1.00 0.00 C ATOM 851 CG1 ILE B 610 16.025 3.486 -1.311 1.00 0.00 C ATOM 852 CG2 ILE B 610 14.731 3.675 0.831 1.00 0.00 C ATOM 853 CD1 ILE B 610 16.612 2.098 -1.174 1.00 0.00 C ATOM 0 H ILE B 610 17.655 6.224 -0.854 1.00 0.00 H new ATOM 0 HA ILE B 610 14.728 5.920 -0.650 1.00 0.00 H new ATOM 0 HB ILE B 610 16.810 4.076 0.592 1.00 0.00 H new ATOM 0 HG12 ILE B 610 15.041 3.412 -1.775 1.00 0.00 H new ATOM 0 HG13 ILE B 610 16.651 4.072 -1.984 1.00 0.00 H new ATOM 0 HG21 ILE B 610 14.876 2.607 0.993 1.00 0.00 H new ATOM 0 HG22 ILE B 610 14.683 4.185 1.793 1.00 0.00 H new ATOM 0 HG23 ILE B 610 13.800 3.837 0.288 1.00 0.00 H new ATOM 0 HD11 ILE B 610 16.676 1.631 -2.157 1.00 0.00 H new ATOM 0 HD12 ILE B 610 17.609 2.166 -0.739 1.00 0.00 H new ATOM 0 HD13 ILE B 610 15.975 1.496 -0.527 1.00 0.00 H new ATOM 865 N PRO B 611 14.926 7.430 1.381 1.00 0.00 N ATOM 866 CA PRO B 611 14.940 8.197 2.632 1.00 0.00 C ATOM 867 C PRO B 611 14.636 7.327 3.846 1.00 0.00 C ATOM 868 O PRO B 611 15.314 7.414 4.869 1.00 0.00 O ATOM 869 CB PRO B 611 13.837 9.241 2.430 1.00 0.00 C ATOM 870 CG PRO B 611 12.939 8.655 1.397 1.00 0.00 C ATOM 871 CD PRO B 611 13.824 7.841 0.495 1.00 0.00 C ATOM 0 HA PRO B 611 15.920 8.632 2.830 1.00 0.00 H new ATOM 0 HB2 PRO B 611 13.299 9.432 3.359 1.00 0.00 H new ATOM 0 HB3 PRO B 611 14.251 10.194 2.099 1.00 0.00 H new ATOM 0 HG2 PRO B 611 12.170 8.033 1.855 1.00 0.00 H new ATOM 0 HG3 PRO B 611 12.425 9.437 0.838 1.00 0.00 H new ATOM 0 HD2 PRO B 611 13.296 6.980 0.084 1.00 0.00 H new ATOM 0 HD3 PRO B 611 14.185 8.427 -0.350 1.00 0.00 H new ATOM 879 N GLY B 612 13.615 6.485 3.725 1.00 0.00 N ATOM 880 CA GLY B 612 13.243 5.610 4.821 1.00 0.00 C ATOM 881 C GLY B 612 11.743 5.547 5.035 1.00 0.00 C ATOM 882 O GLY B 612 11.208 4.509 5.426 1.00 0.00 O ATOM 0 H GLY B 612 13.039 6.393 2.888 1.00 0.00 H new ATOM 0 HA2 GLY B 612 13.620 4.607 4.624 1.00 0.00 H new ATOM 0 HA3 GLY B 612 13.722 5.957 5.736 1.00 0.00 H new ATOM 886 N THR B 613 11.063 6.659 4.778 1.00 0.00 N ATOM 887 CA THR B 613 9.616 6.725 4.946 1.00 0.00 C ATOM 888 C THR B 613 8.899 5.902 3.878 1.00 0.00 C ATOM 889 O THR B 613 9.307 5.887 2.718 1.00 0.00 O ATOM 890 CB THR B 613 9.108 8.178 4.881 1.00 0.00 C ATOM 891 OG1 THR B 613 9.281 8.700 3.559 1.00 0.00 O ATOM 892 CG2 THR B 613 9.851 9.055 5.877 1.00 0.00 C ATOM 0 H THR B 613 11.490 7.526 4.453 1.00 0.00 H new ATOM 0 HA THR B 613 9.394 6.313 5.930 1.00 0.00 H new ATOM 0 HB THR B 613 8.048 8.180 5.136 1.00 0.00 H new ATOM 0 HG1 THR B 613 8.954 9.623 3.526 1.00 0.00 H new ATOM 0 HG21 THR B 613 9.476 10.076 5.813 1.00 0.00 H new ATOM 0 HG22 THR B 613 9.694 8.673 6.886 1.00 0.00 H new ATOM 0 HG23 THR B 613 10.916 9.045 5.647 1.00 0.00 H new ATOM 900 N PRO B 614 7.814 5.205 4.258 1.00 0.00 N ATOM 901 CA PRO B 614 7.040 4.379 3.325 1.00 0.00 C ATOM 902 C PRO B 614 6.349 5.216 2.250 1.00 0.00 C ATOM 903 O PRO B 614 6.298 6.442 2.346 1.00 0.00 O ATOM 904 CB PRO B 614 6.004 3.694 4.221 1.00 0.00 C ATOM 905 CG PRO B 614 5.893 4.570 5.420 1.00 0.00 C ATOM 906 CD PRO B 614 7.256 5.168 5.622 1.00 0.00 C ATOM 0 HA PRO B 614 7.674 3.680 2.780 1.00 0.00 H new ATOM 0 HB2 PRO B 614 5.045 3.597 3.713 1.00 0.00 H new ATOM 0 HB3 PRO B 614 6.322 2.688 4.495 1.00 0.00 H new ATOM 0 HG2 PRO B 614 5.144 5.347 5.268 1.00 0.00 H new ATOM 0 HG3 PRO B 614 5.584 3.997 6.295 1.00 0.00 H new ATOM 0 HD2 PRO B 614 7.198 6.164 6.060 1.00 0.00 H new ATOM 0 HD3 PRO B 614 7.867 4.561 6.290 1.00 0.00 H new ATOM 914 N PRO B 615 5.808 4.561 1.209 1.00 0.00 N ATOM 915 CA PRO B 615 5.120 5.254 0.113 1.00 0.00 C ATOM 916 C PRO B 615 4.002 6.165 0.611 1.00 0.00 C ATOM 917 O PRO B 615 3.813 6.331 1.816 1.00 0.00 O ATOM 918 CB PRO B 615 4.547 4.112 -0.730 1.00 0.00 C ATOM 919 CG PRO B 615 5.409 2.938 -0.420 1.00 0.00 C ATOM 920 CD PRO B 615 5.824 3.100 1.015 1.00 0.00 C ATOM 0 HA PRO B 615 5.794 5.910 -0.438 1.00 0.00 H new ATOM 0 HB2 PRO B 615 3.506 3.916 -0.474 1.00 0.00 H new ATOM 0 HB3 PRO B 615 4.575 4.353 -1.793 1.00 0.00 H new ATOM 0 HG2 PRO B 615 4.865 2.005 -0.566 1.00 0.00 H new ATOM 0 HG3 PRO B 615 6.278 2.907 -1.077 1.00 0.00 H new ATOM 0 HD2 PRO B 615 5.134 2.597 1.693 1.00 0.00 H new ATOM 0 HD3 PRO B 615 6.813 2.681 1.198 1.00 0.00 H new ATOM 928 N PRO B 616 3.244 6.776 -0.317 1.00 0.00 N ATOM 929 CA PRO B 616 2.141 7.681 0.028 1.00 0.00 C ATOM 930 C PRO B 616 1.021 6.971 0.782 1.00 0.00 C ATOM 931 O PRO B 616 0.482 5.967 0.314 1.00 0.00 O ATOM 932 CB PRO B 616 1.633 8.176 -1.334 1.00 0.00 C ATOM 933 CG PRO B 616 2.729 7.871 -2.297 1.00 0.00 C ATOM 934 CD PRO B 616 3.403 6.639 -1.773 1.00 0.00 C ATOM 0 HA PRO B 616 2.472 8.482 0.690 1.00 0.00 H new ATOM 0 HB2 PRO B 616 0.709 7.671 -1.617 1.00 0.00 H new ATOM 0 HB3 PRO B 616 1.417 9.244 -1.309 1.00 0.00 H new ATOM 0 HG2 PRO B 616 2.334 7.704 -3.299 1.00 0.00 H new ATOM 0 HG3 PRO B 616 3.431 8.702 -2.366 1.00 0.00 H new ATOM 0 HD2 PRO B 616 2.933 5.730 -2.148 1.00 0.00 H new ATOM 0 HD3 PRO B 616 4.453 6.598 -2.063 1.00 0.00 H new ATOM 942 N ASN B 617 0.668 7.503 1.949 1.00 0.00 N ATOM 943 CA ASN B 617 -0.393 6.923 2.764 1.00 0.00 C ATOM 944 C ASN B 617 -1.711 6.907 1.996 1.00 0.00 C ATOM 945 O ASN B 617 -1.942 7.744 1.122 1.00 0.00 O ATOM 946 CB ASN B 617 -0.556 7.711 4.065 1.00 0.00 C ATOM 947 CG ASN B 617 -1.328 6.937 5.118 1.00 0.00 C ATOM 948 OD1 ASN B 617 -2.382 7.375 5.577 1.00 0.00 O ATOM 949 ND2 ASN B 617 -0.803 5.781 5.506 1.00 0.00 N ATOM 0 H ASN B 617 1.101 8.334 2.351 1.00 0.00 H new ATOM 0 HA ASN B 617 -0.117 5.897 3.005 1.00 0.00 H new ATOM 0 HB2 ASN B 617 0.428 7.969 4.456 1.00 0.00 H new ATOM 0 HB3 ASN B 617 -1.071 8.649 3.857 1.00 0.00 H new ATOM 0 HD21 ASN B 617 -1.276 5.217 6.212 1.00 0.00 H new ATOM 0 HD22 ASN B 617 0.074 5.457 5.098 1.00 0.00 H new ATOM 956 N TYR B 618 -2.573 5.951 2.325 1.00 0.00 N ATOM 957 CA TYR B 618 -3.866 5.828 1.662 1.00 0.00 C ATOM 958 C TYR B 618 -4.727 7.062 1.911 1.00 0.00 C ATOM 959 O TYR B 618 -5.494 7.480 1.043 1.00 0.00 O ATOM 960 CB TYR B 618 -4.597 4.577 2.152 1.00 0.00 C ATOM 961 CG TYR B 618 -5.903 4.320 1.436 1.00 0.00 C ATOM 962 CD1 TYR B 618 -5.929 4.047 0.074 1.00 0.00 C ATOM 963 CD2 TYR B 618 -7.111 4.351 2.122 1.00 0.00 C ATOM 964 CE1 TYR B 618 -7.121 3.811 -0.584 1.00 0.00 C ATOM 965 CE2 TYR B 618 -8.306 4.115 1.471 1.00 0.00 C ATOM 966 CZ TYR B 618 -8.307 3.847 0.119 1.00 0.00 C ATOM 967 OH TYR B 618 -9.496 3.612 -0.532 1.00 0.00 O ATOM 0 H TYR B 618 -2.400 5.251 3.046 1.00 0.00 H new ATOM 0 HA TYR B 618 -3.688 5.742 0.590 1.00 0.00 H new ATOM 0 HB2 TYR B 618 -3.946 3.712 2.024 1.00 0.00 H new ATOM 0 HB3 TYR B 618 -4.791 4.675 3.220 1.00 0.00 H new ATOM 0 HD1 TYR B 618 -5.002 4.019 -0.480 1.00 0.00 H new ATOM 0 HD2 TYR B 618 -7.116 4.563 3.181 1.00 0.00 H new ATOM 0 HE1 TYR B 618 -7.124 3.599 -1.643 1.00 0.00 H new ATOM 0 HE2 TYR B 618 -9.236 4.140 2.019 1.00 0.00 H new ATOM 0 HH TYR B 618 -10.236 3.673 0.107 1.00 0.00 H new ATOM 977 N ASP B 619 -4.594 7.642 3.099 1.00 0.00 N ATOM 978 CA ASP B 619 -5.361 8.828 3.461 1.00 0.00 C ATOM 979 C ASP B 619 -4.989 10.009 2.570 1.00 0.00 C ATOM 980 O ASP B 619 -5.813 10.887 2.309 1.00 0.00 O ATOM 981 CB ASP B 619 -5.121 9.186 4.929 1.00 0.00 C ATOM 982 CG ASP B 619 -6.181 8.606 5.845 1.00 0.00 C ATOM 983 OD1 ASP B 619 -6.255 7.364 5.956 1.00 0.00 O ATOM 984 OD2 ASP B 619 -6.937 9.394 6.451 1.00 0.00 O ATOM 0 H ASP B 619 -3.962 7.310 3.828 1.00 0.00 H new ATOM 0 HA ASP B 619 -6.418 8.606 3.316 1.00 0.00 H new ATOM 0 HB2 ASP B 619 -4.141 8.820 5.234 1.00 0.00 H new ATOM 0 HB3 ASP B 619 -5.104 10.270 5.038 1.00 0.00 H new ATOM 989 N SER B 620 -3.745 10.023 2.104 1.00 0.00 N ATOM 990 CA SER B 620 -3.263 11.094 1.240 1.00 0.00 C ATOM 991 C SER B 620 -3.491 10.758 -0.233 1.00 0.00 C ATOM 992 O SER B 620 -3.493 11.644 -1.087 1.00 0.00 O ATOM 993 CB SER B 620 -1.778 11.352 1.491 1.00 0.00 C ATOM 994 OG SER B 620 -1.510 12.740 1.589 1.00 0.00 O ATOM 0 H SER B 620 -3.052 9.304 2.310 1.00 0.00 H new ATOM 0 HA SER B 620 -3.828 11.996 1.478 1.00 0.00 H new ATOM 0 HB2 SER B 620 -1.469 10.853 2.410 1.00 0.00 H new ATOM 0 HB3 SER B 620 -1.189 10.921 0.681 1.00 0.00 H new ATOM 0 HG SER B 620 -0.553 12.878 1.751 1.00 0.00 H new ATOM 1000 N LEU B 621 -3.682 9.473 -0.525 1.00 0.00 N ATOM 1001 CA LEU B 621 -3.907 9.028 -1.894 1.00 0.00 C ATOM 1002 C LEU B 621 -5.298 9.433 -2.374 1.00 0.00 C ATOM 1003 O LEU B 621 -5.398 10.439 -3.107 1.00 0.00 O ATOM 1004 CB LEU B 621 -3.747 7.508 -1.989 1.00 0.00 C ATOM 1005 CG LEU B 621 -2.379 7.031 -2.479 1.00 0.00 C ATOM 1006 CD1 LEU B 621 -2.365 5.518 -2.632 1.00 0.00 C ATOM 1007 CD2 LEU B 621 -2.022 7.705 -3.795 1.00 0.00 C ATOM 1008 OXT LEU B 621 -6.273 8.742 -2.012 1.00 0.00 O ATOM 0 H LEU B 621 -3.685 8.725 0.168 1.00 0.00 H new ATOM 0 HA LEU B 621 -3.166 9.507 -2.534 1.00 0.00 H new ATOM 0 HB2 LEU B 621 -3.935 7.076 -1.006 1.00 0.00 H new ATOM 0 HB3 LEU B 621 -4.513 7.118 -2.660 1.00 0.00 H new ATOM 0 HG LEU B 621 -1.630 7.307 -1.736 1.00 0.00 H new ATOM 0 HD11 LEU B 621 -1.384 5.197 -2.981 1.00 0.00 H new ATOM 0 HD12 LEU B 621 -2.578 5.053 -1.669 1.00 0.00 H new ATOM 0 HD13 LEU B 621 -3.124 5.218 -3.355 1.00 0.00 H new ATOM 0 HD21 LEU B 621 -1.046 7.355 -4.130 1.00 0.00 H new ATOM 0 HD22 LEU B 621 -2.773 7.459 -4.545 1.00 0.00 H new ATOM 0 HD23 LEU B 621 -1.991 8.785 -3.654 1.00 0.00 H new TER 1020 LEU B 621