USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 744 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: A 638 THR OG1 : rot -69:sc= 0.996 USER MOD Set 1.2: B 645 SER OG : rot -179:sc= -0.0341 USER MOD Single : A 636 CYS SG : rot 180:sc= 0 USER MOD Single : A 639 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 642 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 645 SER OG : rot 180:sc= 0.0672 USER MOD Single : A 648 THR OG1 : rot 76:sc= 0.733 USER MOD Single : A 650 MET CE :methyl 159:sc= -0.363 (180deg=-1.14) USER MOD Single : A 668 MET CE :methyl -128:sc= -5.96! (180deg=-8.17!) USER MOD Single : A 672 HIS : no HD1:sc= -0.0821 X(o=-0.082,f=0) USER MOD Single : A 676 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 636 CYS SG : rot 180:sc= 0 USER MOD Single : B 638 THR OG1 : rot 180:sc= -0.102 USER MOD Single : B 639 ASN : amide:sc= -0.224 K(o=-0.22,f=-0.97) USER MOD Single : B 642 LYS NZ :NH3+ 167:sc= -0.685 (180deg=-1.21) USER MOD Single : B 648 THR OG1 : rot 180:sc= 0.0852 USER MOD Single : B 650 MET CE :methyl -131:sc= -1.07 (180deg=-4.43!) USER MOD Single : B 668 MET CE :methyl -129:sc= -6.26! (180deg=-8.21!) USER MOD Single : B 672 HIS :FLIP no HD1:sc= -0.729 F(o=-1.3,f=-0.73) USER MOD Single : B 676 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0512) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 634 15.437 33.709 1.460 1.00 0.00 N ATOM 2 CA GLU A 634 14.034 33.616 1.072 1.00 0.00 C ATOM 3 C GLU A 634 13.158 33.278 2.275 1.00 0.00 C ATOM 4 O GLU A 634 13.579 32.559 3.180 1.00 0.00 O ATOM 5 CB GLU A 634 13.852 32.558 -0.019 1.00 0.00 C ATOM 6 CG GLU A 634 14.405 31.194 0.359 1.00 0.00 C ATOM 7 CD GLU A 634 14.045 30.120 -0.649 1.00 0.00 C ATOM 8 OE1 GLU A 634 14.022 30.427 -1.860 1.00 0.00 O ATOM 9 OE2 GLU A 634 13.785 28.973 -0.228 1.00 0.00 O ATOM 0 HA GLU A 634 13.727 34.586 0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 634 12.790 32.460 -0.245 1.00 0.00 H new ATOM 0 HB3 GLU A 634 14.342 32.900 -0.931 1.00 0.00 H new ATOM 0 HG2 GLU A 634 15.490 31.257 0.446 1.00 0.00 H new ATOM 0 HG3 GLU A 634 14.023 30.910 1.339 1.00 0.00 H new ATOM 16 N GLY A 635 11.937 33.803 2.277 1.00 0.00 N ATOM 17 CA GLY A 635 11.021 33.546 3.373 1.00 0.00 C ATOM 18 C GLY A 635 10.129 32.348 3.115 1.00 0.00 C ATOM 19 O GLY A 635 9.078 32.202 3.740 1.00 0.00 O ATOM 0 H GLY A 635 11.566 34.402 1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 635 11.591 33.380 4.287 1.00 0.00 H new ATOM 0 HA3 GLY A 635 10.401 34.427 3.539 1.00 0.00 H new ATOM 23 N CYS A 636 10.547 31.490 2.191 1.00 0.00 N ATOM 24 CA CYS A 636 9.776 30.299 1.849 1.00 0.00 C ATOM 25 C CYS A 636 10.690 29.089 1.686 1.00 0.00 C ATOM 26 O CYS A 636 10.871 28.560 0.589 1.00 0.00 O ATOM 27 CB CYS A 636 8.983 30.531 0.563 1.00 0.00 C ATOM 28 SG CYS A 636 7.511 29.493 0.406 1.00 0.00 S ATOM 0 H CYS A 636 11.415 31.596 1.665 1.00 0.00 H new ATOM 0 HA CYS A 636 9.081 30.100 2.664 1.00 0.00 H new ATOM 0 HB2 CYS A 636 8.683 31.578 0.518 1.00 0.00 H new ATOM 0 HB3 CYS A 636 9.635 30.349 -0.291 1.00 0.00 H new ATOM 0 HG CYS A 636 6.906 29.764 -0.713 1.00 0.00 H new ATOM 34 N PRO A 637 11.282 28.639 2.803 1.00 0.00 N ATOM 35 CA PRO A 637 12.188 27.487 2.809 1.00 0.00 C ATOM 36 C PRO A 637 11.458 26.174 2.550 1.00 0.00 C ATOM 37 O PRO A 637 12.079 25.115 2.448 1.00 0.00 O ATOM 38 CB PRO A 637 12.773 27.504 4.224 1.00 0.00 C ATOM 39 CG PRO A 637 11.748 28.202 5.049 1.00 0.00 C ATOM 40 CD PRO A 637 11.112 29.221 4.145 1.00 0.00 C ATOM 0 HA PRO A 637 12.939 27.554 2.022 1.00 0.00 H new ATOM 0 HB2 PRO A 637 12.954 26.493 4.590 1.00 0.00 H new ATOM 0 HB3 PRO A 637 13.728 28.029 4.251 1.00 0.00 H new ATOM 0 HG2 PRO A 637 11.006 27.498 5.427 1.00 0.00 H new ATOM 0 HG3 PRO A 637 12.204 28.680 5.916 1.00 0.00 H new ATOM 0 HD2 PRO A 637 10.060 29.372 4.387 1.00 0.00 H new ATOM 0 HD3 PRO A 637 11.601 30.192 4.227 1.00 0.00 H new ATOM 48 N THR A 638 10.135 26.248 2.445 1.00 0.00 N ATOM 49 CA THR A 638 9.320 25.065 2.198 1.00 0.00 C ATOM 50 C THR A 638 9.454 24.059 3.335 1.00 0.00 C ATOM 51 O THR A 638 9.280 22.857 3.136 1.00 0.00 O ATOM 52 CB THR A 638 9.708 24.382 0.874 1.00 0.00 C ATOM 53 OG1 THR A 638 10.757 23.434 1.101 1.00 0.00 O ATOM 54 CG2 THR A 638 10.160 25.409 -0.154 1.00 0.00 C ATOM 0 H THR A 638 9.605 27.115 2.527 1.00 0.00 H new ATOM 0 HA THR A 638 8.285 25.401 2.134 1.00 0.00 H new ATOM 0 HB THR A 638 8.829 23.866 0.486 1.00 0.00 H new ATOM 0 HG1 THR A 638 11.583 23.909 1.332 1.00 0.00 H new ATOM 0 HG21 THR A 638 10.429 24.902 -1.081 1.00 0.00 H new ATOM 0 HG22 THR A 638 9.350 26.112 -0.347 1.00 0.00 H new ATOM 0 HG23 THR A 638 11.026 25.950 0.228 1.00 0.00 H new ATOM 62 N ASN A 639 9.764 24.557 4.527 1.00 0.00 N ATOM 63 CA ASN A 639 9.921 23.700 5.697 1.00 0.00 C ATOM 64 C ASN A 639 8.635 23.657 6.516 1.00 0.00 C ATOM 65 O ASN A 639 7.901 24.642 6.593 1.00 0.00 O ATOM 66 CB ASN A 639 11.077 24.197 6.567 1.00 0.00 C ATOM 67 CG ASN A 639 12.407 23.592 6.163 1.00 0.00 C ATOM 68 OD1 ASN A 639 12.960 23.926 5.115 1.00 0.00 O ATOM 69 ND2 ASN A 639 12.927 22.696 6.994 1.00 0.00 N ATOM 0 H ASN A 639 9.912 25.550 4.709 1.00 0.00 H new ATOM 0 HA ASN A 639 10.144 22.691 5.350 1.00 0.00 H new ATOM 0 HB2 ASN A 639 11.139 25.283 6.498 1.00 0.00 H new ATOM 0 HB3 ASN A 639 10.873 23.955 7.610 1.00 0.00 H new ATOM 0 HD21 ASN A 639 13.820 22.254 6.774 1.00 0.00 H new ATOM 0 HD22 ASN A 639 12.434 22.449 7.852 1.00 0.00 H new ATOM 76 N GLY A 640 8.367 22.507 7.128 1.00 0.00 N ATOM 77 CA GLY A 640 7.170 22.357 7.934 1.00 0.00 C ATOM 78 C GLY A 640 6.191 21.365 7.339 1.00 0.00 C ATOM 79 O GLY A 640 6.303 20.971 6.177 1.00 0.00 O ATOM 0 H GLY A 640 8.958 21.677 7.080 1.00 0.00 H new ATOM 0 HA2 GLY A 640 7.449 22.031 8.936 1.00 0.00 H new ATOM 0 HA3 GLY A 640 6.682 23.326 8.038 1.00 0.00 H new ATOM 83 N PRO A 641 5.205 20.944 8.144 1.00 0.00 N ATOM 84 CA PRO A 641 4.184 19.985 7.712 1.00 0.00 C ATOM 85 C PRO A 641 3.225 20.583 6.688 1.00 0.00 C ATOM 86 O PRO A 641 3.130 21.802 6.547 1.00 0.00 O ATOM 87 CB PRO A 641 3.441 19.649 9.007 1.00 0.00 C ATOM 88 CG PRO A 641 3.647 20.838 9.881 1.00 0.00 C ATOM 89 CD PRO A 641 5.011 21.372 9.540 1.00 0.00 C ATOM 0 HA PRO A 641 4.623 19.117 7.219 1.00 0.00 H new ATOM 0 HB2 PRO A 641 2.381 19.473 8.821 1.00 0.00 H new ATOM 0 HB3 PRO A 641 3.838 18.745 9.468 1.00 0.00 H new ATOM 0 HG2 PRO A 641 2.878 21.590 9.704 1.00 0.00 H new ATOM 0 HG3 PRO A 641 3.588 20.563 10.934 1.00 0.00 H new ATOM 0 HD2 PRO A 641 5.054 22.457 9.637 1.00 0.00 H new ATOM 0 HD3 PRO A 641 5.779 20.962 10.196 1.00 0.00 H new ATOM 97 N LYS A 642 2.514 19.716 5.974 1.00 0.00 N ATOM 98 CA LYS A 642 1.560 20.158 4.964 1.00 0.00 C ATOM 99 C LYS A 642 0.555 19.055 4.645 1.00 0.00 C ATOM 100 O LYS A 642 0.935 17.913 4.384 1.00 0.00 O ATOM 101 CB LYS A 642 2.294 20.577 3.688 1.00 0.00 C ATOM 102 CG LYS A 642 1.725 21.829 3.043 1.00 0.00 C ATOM 103 CD LYS A 642 2.820 22.689 2.435 1.00 0.00 C ATOM 104 CE LYS A 642 3.435 23.622 3.468 1.00 0.00 C ATOM 105 NZ LYS A 642 4.676 24.270 2.961 1.00 0.00 N ATOM 0 H LYS A 642 2.581 18.703 6.076 1.00 0.00 H new ATOM 0 HA LYS A 642 1.018 21.016 5.363 1.00 0.00 H new ATOM 0 HB2 LYS A 642 3.345 20.744 3.922 1.00 0.00 H new ATOM 0 HB3 LYS A 642 2.254 19.758 2.970 1.00 0.00 H new ATOM 0 HG2 LYS A 642 1.010 21.548 2.270 1.00 0.00 H new ATOM 0 HG3 LYS A 642 1.178 22.407 3.788 1.00 0.00 H new ATOM 0 HD2 LYS A 642 3.595 22.049 2.014 1.00 0.00 H new ATOM 0 HD3 LYS A 642 2.409 23.275 1.613 1.00 0.00 H new ATOM 0 HE2 LYS A 642 2.710 24.389 3.741 1.00 0.00 H new ATOM 0 HE3 LYS A 642 3.663 23.061 4.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 642 5.064 24.897 3.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 642 5.377 23.539 2.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 642 4.455 24.826 2.111 1.00 0.00 H new ATOM 119 N ILE A 643 -0.727 19.404 4.668 1.00 0.00 N ATOM 120 CA ILE A 643 -1.785 18.444 4.379 1.00 0.00 C ATOM 121 C ILE A 643 -2.926 19.099 3.609 1.00 0.00 C ATOM 122 O ILE A 643 -4.012 19.332 4.139 1.00 0.00 O ATOM 123 CB ILE A 643 -2.344 17.817 5.670 1.00 0.00 C ATOM 124 CG1 ILE A 643 -1.202 17.323 6.560 1.00 0.00 C ATOM 125 CG2 ILE A 643 -3.294 16.677 5.336 1.00 0.00 C ATOM 126 CD1 ILE A 643 -1.671 16.716 7.863 1.00 0.00 C ATOM 0 H ILE A 643 -1.058 20.344 4.884 1.00 0.00 H new ATOM 0 HA ILE A 643 -1.341 17.659 3.767 1.00 0.00 H new ATOM 0 HB ILE A 643 -2.900 18.580 6.216 1.00 0.00 H new ATOM 0 HG12 ILE A 643 -0.620 16.582 6.012 1.00 0.00 H new ATOM 0 HG13 ILE A 643 -0.534 18.157 6.777 1.00 0.00 H new ATOM 0 HG21 ILE A 643 -3.681 16.244 6.258 1.00 0.00 H new ATOM 0 HG22 ILE A 643 -4.122 17.057 4.738 1.00 0.00 H new ATOM 0 HG23 ILE A 643 -2.760 15.912 4.772 1.00 0.00 H new ATOM 0 HD11 ILE A 643 -0.808 16.388 8.443 1.00 0.00 H new ATOM 0 HD12 ILE A 643 -2.228 17.461 8.431 1.00 0.00 H new ATOM 0 HD13 ILE A 643 -2.315 15.861 7.655 1.00 0.00 H new ATOM 138 N PRO A 644 -2.678 19.401 2.326 1.00 0.00 N ATOM 139 CA PRO A 644 -3.673 20.031 1.454 1.00 0.00 C ATOM 140 C PRO A 644 -4.822 19.089 1.111 1.00 0.00 C ATOM 141 O PRO A 644 -4.966 18.025 1.713 1.00 0.00 O ATOM 142 CB PRO A 644 -2.874 20.378 0.196 1.00 0.00 C ATOM 143 CG PRO A 644 -1.743 19.408 0.185 1.00 0.00 C ATOM 144 CD PRO A 644 -1.405 19.150 1.628 1.00 0.00 C ATOM 0 HA PRO A 644 -4.143 20.893 1.928 1.00 0.00 H new ATOM 0 HB2 PRO A 644 -3.486 20.282 -0.701 1.00 0.00 H new ATOM 0 HB3 PRO A 644 -2.513 21.406 0.227 1.00 0.00 H new ATOM 0 HG2 PRO A 644 -2.026 18.485 -0.321 1.00 0.00 H new ATOM 0 HG3 PRO A 644 -0.885 19.815 -0.350 1.00 0.00 H new ATOM 0 HD2 PRO A 644 -1.056 18.129 1.783 1.00 0.00 H new ATOM 0 HD3 PRO A 644 -0.615 19.814 1.981 1.00 0.00 H new ATOM 152 N SER A 645 -5.638 19.487 0.140 1.00 0.00 N ATOM 153 CA SER A 645 -6.777 18.679 -0.280 1.00 0.00 C ATOM 154 C SER A 645 -6.316 17.461 -1.075 1.00 0.00 C ATOM 155 O SER A 645 -7.104 16.561 -1.365 1.00 0.00 O ATOM 156 CB SER A 645 -7.740 19.518 -1.123 1.00 0.00 C ATOM 157 OG SER A 645 -7.545 20.902 -0.896 1.00 0.00 O ATOM 0 H SER A 645 -5.532 20.364 -0.370 1.00 0.00 H new ATOM 0 HA SER A 645 -7.295 18.332 0.614 1.00 0.00 H new ATOM 0 HB2 SER A 645 -7.591 19.295 -2.180 1.00 0.00 H new ATOM 0 HB3 SER A 645 -8.768 19.248 -0.882 1.00 0.00 H new ATOM 0 HG SER A 645 -8.171 21.415 -1.448 1.00 0.00 H new ATOM 163 N ILE A 646 -5.034 17.442 -1.425 1.00 0.00 N ATOM 164 CA ILE A 646 -4.467 16.335 -2.185 1.00 0.00 C ATOM 165 C ILE A 646 -4.482 15.045 -1.373 1.00 0.00 C ATOM 166 O ILE A 646 -4.287 13.957 -1.913 1.00 0.00 O ATOM 167 CB ILE A 646 -3.021 16.636 -2.623 1.00 0.00 C ATOM 168 CG1 ILE A 646 -2.699 15.906 -3.929 1.00 0.00 C ATOM 169 CG2 ILE A 646 -2.042 16.235 -1.530 1.00 0.00 C ATOM 170 CD1 ILE A 646 -1.368 16.302 -4.530 1.00 0.00 C ATOM 0 H ILE A 646 -4.369 18.180 -1.194 1.00 0.00 H new ATOM 0 HA ILE A 646 -5.089 16.210 -3.072 1.00 0.00 H new ATOM 0 HB ILE A 646 -2.924 17.708 -2.794 1.00 0.00 H new ATOM 0 HG12 ILE A 646 -2.700 14.832 -3.745 1.00 0.00 H new ATOM 0 HG13 ILE A 646 -3.489 16.107 -4.652 1.00 0.00 H new ATOM 0 HG21 ILE A 646 -1.025 16.454 -1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 646 -2.262 16.796 -0.621 1.00 0.00 H new ATOM 0 HG23 ILE A 646 -2.137 15.168 -1.330 1.00 0.00 H new ATOM 0 HD11 ILE A 646 -1.206 15.746 -5.453 1.00 0.00 H new ATOM 0 HD12 ILE A 646 -1.370 17.370 -4.746 1.00 0.00 H new ATOM 0 HD13 ILE A 646 -0.568 16.076 -3.825 1.00 0.00 H new ATOM 182 N ALA A 647 -4.718 15.175 -0.071 1.00 0.00 N ATOM 183 CA ALA A 647 -4.763 14.019 0.816 1.00 0.00 C ATOM 184 C ALA A 647 -5.692 12.942 0.267 1.00 0.00 C ATOM 185 O ALA A 647 -5.466 11.749 0.472 1.00 0.00 O ATOM 186 CB ALA A 647 -5.205 14.441 2.209 1.00 0.00 C ATOM 0 H ALA A 647 -4.881 16.069 0.392 1.00 0.00 H new ATOM 0 HA ALA A 647 -3.759 13.599 0.877 1.00 0.00 H new ATOM 0 HB1 ALA A 647 -5.234 13.568 2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 647 -4.500 15.170 2.609 1.00 0.00 H new ATOM 0 HB3 ALA A 647 -6.198 14.888 2.156 1.00 0.00 H new ATOM 192 N THR A 648 -6.739 13.369 -0.432 1.00 0.00 N ATOM 193 CA THR A 648 -7.703 12.441 -1.009 1.00 0.00 C ATOM 194 C THR A 648 -7.006 11.369 -1.839 1.00 0.00 C ATOM 195 O THR A 648 -7.222 10.175 -1.636 1.00 0.00 O ATOM 196 CB THR A 648 -8.728 13.175 -1.895 1.00 0.00 C ATOM 197 OG1 THR A 648 -8.926 14.509 -1.413 1.00 0.00 O ATOM 198 CG2 THR A 648 -10.056 12.434 -1.912 1.00 0.00 C ATOM 0 H THR A 648 -6.941 14.352 -0.612 1.00 0.00 H new ATOM 0 HA THR A 648 -8.225 11.969 -0.176 1.00 0.00 H new ATOM 0 HB THR A 648 -8.337 13.211 -2.912 1.00 0.00 H new ATOM 0 HG1 THR A 648 -8.159 15.065 -1.664 1.00 0.00 H new ATOM 0 HG21 THR A 648 -10.764 12.971 -2.544 1.00 0.00 H new ATOM 0 HG22 THR A 648 -9.907 11.429 -2.307 1.00 0.00 H new ATOM 0 HG23 THR A 648 -10.450 12.371 -0.898 1.00 0.00 H new ATOM 206 N GLY A 649 -6.167 11.804 -2.774 1.00 0.00 N ATOM 207 CA GLY A 649 -5.451 10.868 -3.621 1.00 0.00 C ATOM 208 C GLY A 649 -4.414 10.070 -2.854 1.00 0.00 C ATOM 209 O GLY A 649 -4.155 8.909 -3.172 1.00 0.00 O ATOM 0 H GLY A 649 -5.970 12.787 -2.960 1.00 0.00 H new ATOM 0 HA2 GLY A 649 -6.162 10.184 -4.084 1.00 0.00 H new ATOM 0 HA3 GLY A 649 -4.962 11.413 -4.428 1.00 0.00 H new ATOM 213 N MET A 650 -3.818 10.694 -1.844 1.00 0.00 N ATOM 214 CA MET A 650 -2.803 10.034 -1.031 1.00 0.00 C ATOM 215 C MET A 650 -3.406 8.873 -0.245 1.00 0.00 C ATOM 216 O MET A 650 -2.932 7.740 -0.331 1.00 0.00 O ATOM 217 CB MET A 650 -2.158 11.035 -0.070 1.00 0.00 C ATOM 218 CG MET A 650 -1.607 12.271 -0.761 1.00 0.00 C ATOM 219 SD MET A 650 0.182 12.206 -0.978 1.00 0.00 S ATOM 220 CE MET A 650 0.335 10.819 -2.102 1.00 0.00 C ATOM 0 H MET A 650 -4.020 11.655 -1.569 1.00 0.00 H new ATOM 0 HA MET A 650 -2.038 9.639 -1.700 1.00 0.00 H new ATOM 0 HB2 MET A 650 -2.896 11.342 0.671 1.00 0.00 H new ATOM 0 HB3 MET A 650 -1.351 10.540 0.470 1.00 0.00 H new ATOM 0 HG2 MET A 650 -2.084 12.381 -1.735 1.00 0.00 H new ATOM 0 HG3 MET A 650 -1.867 13.155 -0.178 1.00 0.00 H new ATOM 0 HE1 MET A 650 1.293 10.874 -2.619 1.00 0.00 H new ATOM 0 HE2 MET A 650 0.279 9.887 -1.540 1.00 0.00 H new ATOM 0 HE3 MET A 650 -0.474 10.851 -2.832 1.00 0.00 H new ATOM 230 N VAL A 651 -4.453 9.163 0.520 1.00 0.00 N ATOM 231 CA VAL A 651 -5.121 8.143 1.320 1.00 0.00 C ATOM 232 C VAL A 651 -5.634 7.006 0.444 1.00 0.00 C ATOM 233 O VAL A 651 -5.505 5.833 0.792 1.00 0.00 O ATOM 234 CB VAL A 651 -6.299 8.736 2.115 1.00 0.00 C ATOM 235 CG1 VAL A 651 -6.939 7.673 2.995 1.00 0.00 C ATOM 236 CG2 VAL A 651 -5.836 9.921 2.949 1.00 0.00 C ATOM 0 H VAL A 651 -4.857 10.096 0.603 1.00 0.00 H new ATOM 0 HA VAL A 651 -4.381 7.753 2.019 1.00 0.00 H new ATOM 0 HB VAL A 651 -7.050 9.089 1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 651 -7.769 8.111 3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 651 -7.308 6.858 2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 651 -6.199 7.287 3.696 1.00 0.00 H new ATOM 0 HG21 VAL A 651 -6.681 10.328 3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 651 -5.066 9.595 3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 651 -5.429 10.691 2.293 1.00 0.00 H new ATOM 246 N GLY A 652 -6.217 7.362 -0.697 1.00 0.00 N ATOM 247 CA GLY A 652 -6.741 6.360 -1.607 1.00 0.00 C ATOM 248 C GLY A 652 -5.646 5.539 -2.258 1.00 0.00 C ATOM 249 O GLY A 652 -5.799 4.334 -2.456 1.00 0.00 O ATOM 0 H GLY A 652 -6.336 8.326 -1.007 1.00 0.00 H new ATOM 0 HA2 GLY A 652 -7.414 5.697 -1.064 1.00 0.00 H new ATOM 0 HA3 GLY A 652 -7.332 6.850 -2.381 1.00 0.00 H new ATOM 253 N ALA A 653 -4.539 6.192 -2.593 1.00 0.00 N ATOM 254 CA ALA A 653 -3.414 5.515 -3.226 1.00 0.00 C ATOM 255 C ALA A 653 -2.694 4.605 -2.236 1.00 0.00 C ATOM 256 O ALA A 653 -2.305 3.486 -2.575 1.00 0.00 O ATOM 257 CB ALA A 653 -2.446 6.532 -3.811 1.00 0.00 C ATOM 0 H ALA A 653 -4.397 7.190 -2.437 1.00 0.00 H new ATOM 0 HA ALA A 653 -3.803 4.895 -4.034 1.00 0.00 H new ATOM 0 HB1 ALA A 653 -1.611 6.012 -4.280 1.00 0.00 H new ATOM 0 HB2 ALA A 653 -2.961 7.138 -4.556 1.00 0.00 H new ATOM 0 HB3 ALA A 653 -2.071 7.177 -3.016 1.00 0.00 H new ATOM 263 N LEU A 654 -2.519 5.091 -1.012 1.00 0.00 N ATOM 264 CA LEU A 654 -1.845 4.322 0.028 1.00 0.00 C ATOM 265 C LEU A 654 -2.590 3.021 0.312 1.00 0.00 C ATOM 266 O LEU A 654 -1.988 1.948 0.367 1.00 0.00 O ATOM 267 CB LEU A 654 -1.731 5.149 1.309 1.00 0.00 C ATOM 268 CG LEU A 654 -0.810 6.368 1.242 1.00 0.00 C ATOM 269 CD1 LEU A 654 -1.188 7.382 2.311 1.00 0.00 C ATOM 270 CD2 LEU A 654 0.644 5.946 1.394 1.00 0.00 C ATOM 0 H LEU A 654 -2.835 6.014 -0.715 1.00 0.00 H new ATOM 0 HA LEU A 654 -0.844 4.076 -0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 654 -2.729 5.487 1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 654 -1.380 4.497 2.109 1.00 0.00 H new ATOM 0 HG LEU A 654 -0.931 6.838 0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 654 -0.522 8.242 2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 654 -2.217 7.707 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 654 -1.097 6.924 3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 654 1.285 6.826 1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 654 0.781 5.452 2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 654 0.909 5.258 0.591 1.00 0.00 H new ATOM 282 N LEU A 655 -3.902 3.125 0.491 1.00 0.00 N ATOM 283 CA LEU A 655 -4.731 1.956 0.768 1.00 0.00 C ATOM 284 C LEU A 655 -4.741 1.002 -0.422 1.00 0.00 C ATOM 285 O LEU A 655 -4.540 -0.203 -0.267 1.00 0.00 O ATOM 286 CB LEU A 655 -6.159 2.388 1.103 1.00 0.00 C ATOM 287 CG LEU A 655 -6.320 3.276 2.338 1.00 0.00 C ATOM 288 CD1 LEU A 655 -7.648 4.015 2.294 1.00 0.00 C ATOM 289 CD2 LEU A 655 -6.211 2.447 3.609 1.00 0.00 C ATOM 0 H LEU A 655 -4.415 4.006 0.449 1.00 0.00 H new ATOM 0 HA LEU A 655 -4.306 1.433 1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 655 -6.568 2.919 0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 655 -6.765 1.493 1.243 1.00 0.00 H new ATOM 0 HG LEU A 655 -5.517 4.013 2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 655 -7.745 4.642 3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 655 -7.687 4.640 1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 655 -8.465 3.294 2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 655 -6.328 3.095 4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 655 -6.992 1.687 3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 655 -5.235 1.964 3.646 1.00 0.00 H new ATOM 301 N LEU A 656 -4.976 1.549 -1.610 1.00 0.00 N ATOM 302 CA LEU A 656 -5.010 0.747 -2.828 1.00 0.00 C ATOM 303 C LEU A 656 -3.672 0.053 -3.061 1.00 0.00 C ATOM 304 O LEU A 656 -3.625 -1.106 -3.477 1.00 0.00 O ATOM 305 CB LEU A 656 -5.359 1.625 -4.030 1.00 0.00 C ATOM 306 CG LEU A 656 -6.828 2.030 -4.162 1.00 0.00 C ATOM 307 CD1 LEU A 656 -6.989 3.116 -5.215 1.00 0.00 C ATOM 308 CD2 LEU A 656 -7.686 0.821 -4.504 1.00 0.00 C ATOM 0 H LEU A 656 -5.146 2.544 -1.756 1.00 0.00 H new ATOM 0 HA LEU A 656 -5.778 -0.017 -2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 656 -4.756 2.532 -3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 656 -5.065 1.097 -4.937 1.00 0.00 H new ATOM 0 HG LEU A 656 -7.163 2.428 -3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 656 -8.040 3.392 -5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 656 -6.405 3.991 -4.928 1.00 0.00 H new ATOM 0 HD13 LEU A 656 -6.637 2.745 -6.177 1.00 0.00 H new ATOM 0 HD21 LEU A 656 -8.728 1.128 -4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 656 -7.351 0.393 -5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 656 -7.595 0.075 -3.715 1.00 0.00 H new ATOM 320 N LEU A 657 -2.586 0.768 -2.789 1.00 0.00 N ATOM 321 CA LEU A 657 -1.246 0.220 -2.967 1.00 0.00 C ATOM 322 C LEU A 657 -1.052 -1.032 -2.118 1.00 0.00 C ATOM 323 O LEU A 657 -0.638 -2.078 -2.621 1.00 0.00 O ATOM 324 CB LEU A 657 -0.193 1.268 -2.600 1.00 0.00 C ATOM 325 CG LEU A 657 0.112 2.317 -3.669 1.00 0.00 C ATOM 326 CD1 LEU A 657 0.767 3.540 -3.046 1.00 0.00 C ATOM 327 CD2 LEU A 657 1.000 1.729 -4.756 1.00 0.00 C ATOM 0 H LEU A 657 -2.607 1.728 -2.445 1.00 0.00 H new ATOM 0 HA LEU A 657 -1.128 -0.054 -4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 657 -0.522 1.783 -1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 657 0.734 0.751 -2.352 1.00 0.00 H new ATOM 0 HG LEU A 657 -0.828 2.627 -4.125 1.00 0.00 H new ATOM 0 HD11 LEU A 657 0.977 4.276 -3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 657 0.096 3.975 -2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 657 1.699 3.247 -2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 657 1.207 2.490 -5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 657 1.938 1.390 -4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 657 0.493 0.885 -5.223 1.00 0.00 H new ATOM 339 N LEU A 658 -1.354 -0.919 -0.830 1.00 0.00 N ATOM 340 CA LEU A 658 -1.216 -2.043 0.090 1.00 0.00 C ATOM 341 C LEU A 658 -2.015 -3.247 -0.398 1.00 0.00 C ATOM 342 O LEU A 658 -1.525 -4.377 -0.389 1.00 0.00 O ATOM 343 CB LEU A 658 -1.679 -1.642 1.491 1.00 0.00 C ATOM 344 CG LEU A 658 -0.676 -0.849 2.329 1.00 0.00 C ATOM 345 CD1 LEU A 658 -1.385 -0.108 3.451 1.00 0.00 C ATOM 346 CD2 LEU A 658 0.396 -1.772 2.890 1.00 0.00 C ATOM 0 H LEU A 658 -1.696 -0.061 -0.398 1.00 0.00 H new ATOM 0 HA LEU A 658 -0.163 -2.321 0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 658 -2.590 -1.051 1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 658 -1.943 -2.547 2.038 1.00 0.00 H new ATOM 0 HG LEU A 658 -0.194 -0.114 1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 658 -0.655 0.451 4.036 1.00 0.00 H new ATOM 0 HD12 LEU A 658 -2.115 0.582 3.027 1.00 0.00 H new ATOM 0 HD13 LEU A 658 -1.895 -0.825 4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 658 1.102 -1.191 3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 658 -0.070 -2.530 3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 658 0.925 -2.256 2.069 1.00 0.00 H new ATOM 358 N VAL A 659 -3.250 -2.998 -0.824 1.00 0.00 N ATOM 359 CA VAL A 659 -4.117 -4.061 -1.318 1.00 0.00 C ATOM 360 C VAL A 659 -3.529 -4.715 -2.564 1.00 0.00 C ATOM 361 O VAL A 659 -3.650 -5.925 -2.759 1.00 0.00 O ATOM 362 CB VAL A 659 -5.525 -3.529 -1.647 1.00 0.00 C ATOM 363 CG1 VAL A 659 -6.424 -4.659 -2.125 1.00 0.00 C ATOM 364 CG2 VAL A 659 -6.127 -2.834 -0.436 1.00 0.00 C ATOM 0 H VAL A 659 -3.672 -2.069 -0.837 1.00 0.00 H new ATOM 0 HA VAL A 659 -4.193 -4.803 -0.523 1.00 0.00 H new ATOM 0 HB VAL A 659 -5.440 -2.799 -2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 659 -7.414 -4.265 -2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 659 -5.998 -5.109 -3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 659 -6.505 -5.415 -1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 659 -7.121 -2.464 -0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 659 -6.200 -3.541 0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 659 -5.492 -1.998 -0.143 1.00 0.00 H new ATOM 374 N VAL A 660 -2.890 -3.907 -3.405 1.00 0.00 N ATOM 375 CA VAL A 660 -2.282 -4.407 -4.631 1.00 0.00 C ATOM 376 C VAL A 660 -1.122 -5.349 -4.325 1.00 0.00 C ATOM 377 O VAL A 660 -1.015 -6.428 -4.907 1.00 0.00 O ATOM 378 CB VAL A 660 -1.772 -3.254 -5.516 1.00 0.00 C ATOM 379 CG1 VAL A 660 -1.004 -3.796 -6.711 1.00 0.00 C ATOM 380 CG2 VAL A 660 -2.931 -2.379 -5.969 1.00 0.00 C ATOM 0 H VAL A 660 -2.781 -2.903 -3.259 1.00 0.00 H new ATOM 0 HA VAL A 660 -3.058 -4.952 -5.169 1.00 0.00 H new ATOM 0 HB VAL A 660 -1.091 -2.640 -4.926 1.00 0.00 H new ATOM 0 HG11 VAL A 660 -0.652 -2.966 -7.324 1.00 0.00 H new ATOM 0 HG12 VAL A 660 -0.150 -4.377 -6.362 1.00 0.00 H new ATOM 0 HG13 VAL A 660 -1.658 -4.434 -7.305 1.00 0.00 H new ATOM 0 HG21 VAL A 660 -2.553 -1.569 -6.593 1.00 0.00 H new ATOM 0 HG22 VAL A 660 -3.638 -2.979 -6.542 1.00 0.00 H new ATOM 0 HG23 VAL A 660 -3.434 -1.961 -5.097 1.00 0.00 H new ATOM 390 N ALA A 661 -0.255 -4.932 -3.408 1.00 0.00 N ATOM 391 CA ALA A 661 0.896 -5.739 -3.022 1.00 0.00 C ATOM 392 C ALA A 661 0.459 -7.101 -2.494 1.00 0.00 C ATOM 393 O ALA A 661 0.990 -8.136 -2.900 1.00 0.00 O ATOM 394 CB ALA A 661 1.727 -5.008 -1.979 1.00 0.00 C ATOM 0 H ALA A 661 -0.328 -4.040 -2.919 1.00 0.00 H new ATOM 0 HA ALA A 661 1.508 -5.902 -3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 661 2.583 -5.622 -1.700 1.00 0.00 H new ATOM 0 HB2 ALA A 661 2.078 -4.062 -2.391 1.00 0.00 H new ATOM 0 HB3 ALA A 661 1.116 -4.815 -1.097 1.00 0.00 H new ATOM 400 N LEU A 662 -0.511 -7.095 -1.586 1.00 0.00 N ATOM 401 CA LEU A 662 -1.019 -8.331 -1.001 1.00 0.00 C ATOM 402 C LEU A 662 -1.490 -9.294 -2.086 1.00 0.00 C ATOM 403 O LEU A 662 -1.094 -10.458 -2.112 1.00 0.00 O ATOM 404 CB LEU A 662 -2.169 -8.028 -0.039 1.00 0.00 C ATOM 405 CG LEU A 662 -1.768 -7.547 1.356 1.00 0.00 C ATOM 406 CD1 LEU A 662 -2.925 -6.820 2.024 1.00 0.00 C ATOM 407 CD2 LEU A 662 -1.306 -8.717 2.212 1.00 0.00 C ATOM 0 H LEU A 662 -0.961 -6.248 -1.239 1.00 0.00 H new ATOM 0 HA LEU A 662 -0.206 -8.803 -0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 662 -2.806 -7.270 -0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 662 -2.773 -8.929 0.069 1.00 0.00 H new ATOM 0 HG LEU A 662 -0.938 -6.848 1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 662 -2.620 -6.485 3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 662 -3.209 -5.957 1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 662 -3.776 -7.496 2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 662 -1.025 -8.355 3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 662 -2.116 -9.440 2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 662 -0.446 -9.194 1.742 1.00 0.00 H new ATOM 419 N GLY A 663 -2.337 -8.798 -2.983 1.00 0.00 N ATOM 420 CA GLY A 663 -2.846 -9.628 -4.060 1.00 0.00 C ATOM 421 C GLY A 663 -1.738 -10.239 -4.895 1.00 0.00 C ATOM 422 O GLY A 663 -1.711 -11.451 -5.110 1.00 0.00 O ATOM 0 H GLY A 663 -2.680 -7.837 -2.983 1.00 0.00 H new ATOM 0 HA2 GLY A 663 -3.462 -10.424 -3.641 1.00 0.00 H new ATOM 0 HA3 GLY A 663 -3.492 -9.029 -4.702 1.00 0.00 H new ATOM 426 N ILE A 664 -0.823 -9.399 -5.367 1.00 0.00 N ATOM 427 CA ILE A 664 0.292 -9.864 -6.183 1.00 0.00 C ATOM 428 C ILE A 664 1.123 -10.902 -5.437 1.00 0.00 C ATOM 429 O ILE A 664 1.525 -11.916 -6.006 1.00 0.00 O ATOM 430 CB ILE A 664 1.205 -8.698 -6.605 1.00 0.00 C ATOM 431 CG1 ILE A 664 0.401 -7.640 -7.363 1.00 0.00 C ATOM 432 CG2 ILE A 664 2.356 -9.210 -7.459 1.00 0.00 C ATOM 433 CD1 ILE A 664 1.085 -6.293 -7.427 1.00 0.00 C ATOM 0 H ILE A 664 -0.832 -8.393 -5.198 1.00 0.00 H new ATOM 0 HA ILE A 664 -0.138 -10.319 -7.075 1.00 0.00 H new ATOM 0 HB ILE A 664 1.620 -8.237 -5.708 1.00 0.00 H new ATOM 0 HG12 ILE A 664 0.216 -7.993 -8.377 1.00 0.00 H new ATOM 0 HG13 ILE A 664 -0.571 -7.522 -6.885 1.00 0.00 H new ATOM 0 HG21 ILE A 664 2.993 -8.375 -7.750 1.00 0.00 H new ATOM 0 HG22 ILE A 664 2.941 -9.930 -6.887 1.00 0.00 H new ATOM 0 HG23 ILE A 664 1.960 -9.692 -8.353 1.00 0.00 H new ATOM 0 HD11 ILE A 664 0.458 -5.592 -7.979 1.00 0.00 H new ATOM 0 HD12 ILE A 664 1.245 -5.918 -6.416 1.00 0.00 H new ATOM 0 HD13 ILE A 664 2.045 -6.396 -7.932 1.00 0.00 H new ATOM 445 N GLY A 665 1.376 -10.643 -4.158 1.00 0.00 N ATOM 446 CA GLY A 665 2.157 -11.565 -3.354 1.00 0.00 C ATOM 447 C GLY A 665 1.578 -12.966 -3.352 1.00 0.00 C ATOM 448 O GLY A 665 2.295 -13.942 -3.576 1.00 0.00 O ATOM 0 H GLY A 665 1.054 -9.811 -3.664 1.00 0.00 H new ATOM 0 HA2 GLY A 665 3.178 -11.598 -3.733 1.00 0.00 H new ATOM 0 HA3 GLY A 665 2.209 -11.195 -2.330 1.00 0.00 H new ATOM 452 N LEU A 666 0.278 -13.067 -3.097 1.00 0.00 N ATOM 453 CA LEU A 666 -0.397 -14.359 -3.065 1.00 0.00 C ATOM 454 C LEU A 666 -0.485 -14.962 -4.463 1.00 0.00 C ATOM 455 O LEU A 666 -0.398 -16.179 -4.633 1.00 0.00 O ATOM 456 CB LEU A 666 -1.799 -14.210 -2.472 1.00 0.00 C ATOM 457 CG LEU A 666 -1.885 -13.494 -1.124 1.00 0.00 C ATOM 458 CD1 LEU A 666 -3.285 -13.617 -0.542 1.00 0.00 C ATOM 459 CD2 LEU A 666 -0.852 -14.052 -0.156 1.00 0.00 C ATOM 0 H LEU A 666 -0.329 -12.269 -2.909 1.00 0.00 H new ATOM 0 HA LEU A 666 0.187 -15.031 -2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 666 -2.419 -13.670 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 666 -2.232 -15.204 -2.361 1.00 0.00 H new ATOM 0 HG LEU A 666 -1.671 -12.437 -1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 666 -3.327 -13.101 0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 666 -4.004 -13.168 -1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 666 -3.528 -14.670 -0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 666 -0.928 -13.530 0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 666 -1.034 -15.116 -0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 666 0.147 -13.910 -0.568 1.00 0.00 H new ATOM 471 N PHE A 667 -0.657 -14.103 -5.463 1.00 0.00 N ATOM 472 CA PHE A 667 -0.756 -14.551 -6.847 1.00 0.00 C ATOM 473 C PHE A 667 0.558 -15.173 -7.313 1.00 0.00 C ATOM 474 O PHE A 667 0.577 -16.283 -7.843 1.00 0.00 O ATOM 475 CB PHE A 667 -1.130 -13.380 -7.758 1.00 0.00 C ATOM 476 CG PHE A 667 -0.973 -13.685 -9.221 1.00 0.00 C ATOM 477 CD1 PHE A 667 0.231 -13.450 -9.865 1.00 0.00 C ATOM 478 CD2 PHE A 667 -2.030 -14.205 -9.951 1.00 0.00 C ATOM 479 CE1 PHE A 667 0.379 -13.730 -11.211 1.00 0.00 C ATOM 480 CE2 PHE A 667 -1.887 -14.487 -11.296 1.00 0.00 C ATOM 481 CZ PHE A 667 -0.682 -14.248 -11.927 1.00 0.00 C ATOM 0 H PHE A 667 -0.731 -13.093 -5.340 1.00 0.00 H new ATOM 0 HA PHE A 667 -1.537 -15.310 -6.902 1.00 0.00 H new ATOM 0 HB2 PHE A 667 -2.164 -13.094 -7.563 1.00 0.00 H new ATOM 0 HB3 PHE A 667 -0.509 -12.521 -7.505 1.00 0.00 H new ATOM 0 HD1 PHE A 667 1.063 -13.044 -9.309 1.00 0.00 H new ATOM 0 HD2 PHE A 667 -2.975 -14.392 -9.463 1.00 0.00 H new ATOM 0 HE1 PHE A 667 1.323 -13.544 -11.702 1.00 0.00 H new ATOM 0 HE2 PHE A 667 -2.717 -14.894 -11.854 1.00 0.00 H new ATOM 0 HZ PHE A 667 -0.570 -14.466 -12.979 1.00 0.00 H new ATOM 491 N MET A 668 1.653 -14.448 -7.110 1.00 0.00 N ATOM 492 CA MET A 668 2.971 -14.928 -7.509 1.00 0.00 C ATOM 493 C MET A 668 3.314 -16.231 -6.794 1.00 0.00 C ATOM 494 O MET A 668 3.855 -17.157 -7.397 1.00 0.00 O ATOM 495 CB MET A 668 4.035 -13.871 -7.206 1.00 0.00 C ATOM 496 CG MET A 668 3.907 -12.618 -8.057 1.00 0.00 C ATOM 497 SD MET A 668 5.082 -11.335 -7.585 1.00 0.00 S ATOM 498 CE MET A 668 4.620 -11.066 -5.875 1.00 0.00 C ATOM 0 H MET A 668 1.654 -13.527 -6.672 1.00 0.00 H new ATOM 0 HA MET A 668 2.952 -15.117 -8.582 1.00 0.00 H new ATOM 0 HB2 MET A 668 3.971 -13.594 -6.154 1.00 0.00 H new ATOM 0 HB3 MET A 668 5.022 -14.306 -7.361 1.00 0.00 H new ATOM 0 HG2 MET A 668 4.060 -12.878 -9.104 1.00 0.00 H new ATOM 0 HG3 MET A 668 2.893 -12.227 -7.970 1.00 0.00 H new ATOM 0 HE1 MET A 668 4.450 -10.003 -5.707 1.00 0.00 H new ATOM 0 HE2 MET A 668 3.707 -11.619 -5.653 1.00 0.00 H new ATOM 0 HE3 MET A 668 5.422 -11.412 -5.223 1.00 0.00 H new ATOM 508 N ARG A 669 2.996 -16.295 -5.505 1.00 0.00 N ATOM 509 CA ARG A 669 3.272 -17.484 -4.708 1.00 0.00 C ATOM 510 C ARG A 669 2.314 -18.615 -5.070 1.00 0.00 C ATOM 511 O ARG A 669 2.630 -19.792 -4.889 1.00 0.00 O ATOM 512 CB ARG A 669 3.158 -17.163 -3.217 1.00 0.00 C ATOM 513 CG ARG A 669 4.394 -16.491 -2.642 1.00 0.00 C ATOM 514 CD ARG A 669 4.862 -17.179 -1.370 1.00 0.00 C ATOM 515 NE ARG A 669 3.783 -17.323 -0.397 1.00 0.00 N ATOM 516 CZ ARG A 669 3.963 -17.778 0.838 1.00 0.00 C ATOM 517 NH1 ARG A 669 5.173 -18.133 1.248 1.00 0.00 N ATOM 518 NH2 ARG A 669 2.931 -17.880 1.666 1.00 0.00 N ATOM 0 H ARG A 669 2.547 -15.537 -4.991 1.00 0.00 H new ATOM 0 HA ARG A 669 4.290 -17.808 -4.926 1.00 0.00 H new ATOM 0 HB2 ARG A 669 2.296 -16.515 -3.058 1.00 0.00 H new ATOM 0 HB3 ARG A 669 2.968 -18.086 -2.669 1.00 0.00 H new ATOM 0 HG2 ARG A 669 5.195 -16.507 -3.381 1.00 0.00 H new ATOM 0 HG3 ARG A 669 4.175 -15.444 -2.431 1.00 0.00 H new ATOM 0 HD2 ARG A 669 5.262 -18.163 -1.616 1.00 0.00 H new ATOM 0 HD3 ARG A 669 5.676 -16.606 -0.926 1.00 0.00 H new ATOM 0 HE ARG A 669 2.839 -17.060 -0.681 1.00 0.00 H new ATOM 0 HH11 ARG A 669 5.969 -18.057 0.615 1.00 0.00 H new ATOM 0 HH12 ARG A 669 5.308 -18.482 2.197 1.00 0.00 H new ATOM 0 HH21 ARG A 669 1.998 -17.609 1.354 1.00 0.00 H new ATOM 0 HH22 ARG A 669 3.070 -18.230 2.614 1.00 0.00 H new ATOM 532 N ARG A 670 1.142 -18.251 -5.581 1.00 0.00 N ATOM 533 CA ARG A 670 0.138 -19.235 -5.966 1.00 0.00 C ATOM 534 C ARG A 670 0.447 -19.817 -7.342 1.00 0.00 C ATOM 535 O ARG A 670 0.001 -20.915 -7.677 1.00 0.00 O ATOM 536 CB ARG A 670 -1.254 -18.600 -5.970 1.00 0.00 C ATOM 537 CG ARG A 670 -1.940 -18.628 -4.614 1.00 0.00 C ATOM 538 CD ARG A 670 -3.175 -17.741 -4.596 1.00 0.00 C ATOM 539 NE ARG A 670 -4.025 -17.962 -5.762 1.00 0.00 N ATOM 540 CZ ARG A 670 -4.854 -18.993 -5.882 1.00 0.00 C ATOM 541 NH1 ARG A 670 -4.944 -19.892 -4.912 1.00 0.00 N ATOM 542 NH2 ARG A 670 -5.596 -19.126 -6.975 1.00 0.00 N ATOM 0 H ARG A 670 0.865 -17.282 -5.738 1.00 0.00 H new ATOM 0 HA ARG A 670 0.159 -20.044 -5.235 1.00 0.00 H new ATOM 0 HB2 ARG A 670 -1.171 -17.566 -6.305 1.00 0.00 H new ATOM 0 HB3 ARG A 670 -1.880 -19.121 -6.695 1.00 0.00 H new ATOM 0 HG2 ARG A 670 -2.222 -19.652 -4.369 1.00 0.00 H new ATOM 0 HG3 ARG A 670 -1.242 -18.297 -3.845 1.00 0.00 H new ATOM 0 HD2 ARG A 670 -3.747 -17.935 -3.689 1.00 0.00 H new ATOM 0 HD3 ARG A 670 -2.870 -16.695 -4.563 1.00 0.00 H new ATOM 0 HE ARG A 670 -3.980 -17.288 -6.526 1.00 0.00 H new ATOM 0 HH11 ARG A 670 -4.376 -19.793 -4.071 1.00 0.00 H new ATOM 0 HH12 ARG A 670 -5.581 -20.683 -5.007 1.00 0.00 H new ATOM 0 HH21 ARG A 670 -5.530 -18.436 -7.723 1.00 0.00 H new ATOM 0 HH22 ARG A 670 -6.232 -19.918 -7.066 1.00 0.00 H new ATOM 556 N ARG A 671 1.212 -19.074 -8.135 1.00 0.00 N ATOM 557 CA ARG A 671 1.579 -19.516 -9.475 1.00 0.00 C ATOM 558 C ARG A 671 2.214 -20.903 -9.436 1.00 0.00 C ATOM 559 O ARG A 671 2.124 -21.666 -10.399 1.00 0.00 O ATOM 560 CB ARG A 671 2.547 -18.519 -10.116 1.00 0.00 C ATOM 561 CG ARG A 671 2.344 -18.351 -11.613 1.00 0.00 C ATOM 562 CD ARG A 671 3.649 -18.013 -12.317 1.00 0.00 C ATOM 563 NE ARG A 671 3.662 -18.483 -13.700 1.00 0.00 N ATOM 564 CZ ARG A 671 4.560 -18.095 -14.599 1.00 0.00 C ATOM 565 NH1 ARG A 671 5.512 -17.236 -14.263 1.00 0.00 N ATOM 566 NH2 ARG A 671 4.506 -18.567 -15.838 1.00 0.00 N ATOM 0 H ARG A 671 1.590 -18.163 -7.873 1.00 0.00 H new ATOM 0 HA ARG A 671 0.670 -19.568 -10.075 1.00 0.00 H new ATOM 0 HB2 ARG A 671 2.431 -17.550 -9.631 1.00 0.00 H new ATOM 0 HB3 ARG A 671 3.570 -18.848 -9.931 1.00 0.00 H new ATOM 0 HG2 ARG A 671 1.931 -19.269 -12.031 1.00 0.00 H new ATOM 0 HG3 ARG A 671 1.615 -17.561 -11.796 1.00 0.00 H new ATOM 0 HD2 ARG A 671 3.802 -16.934 -12.299 1.00 0.00 H new ATOM 0 HD3 ARG A 671 4.481 -18.461 -11.774 1.00 0.00 H new ATOM 0 HE ARG A 671 2.943 -19.145 -13.991 1.00 0.00 H new ATOM 0 HH11 ARG A 671 5.557 -16.871 -13.312 1.00 0.00 H new ATOM 0 HH12 ARG A 671 6.200 -16.940 -14.956 1.00 0.00 H new ATOM 0 HH21 ARG A 671 3.775 -19.228 -16.101 1.00 0.00 H new ATOM 0 HH22 ARG A 671 5.196 -18.269 -16.528 1.00 0.00 H new ATOM 580 N HIS A 672 2.855 -21.224 -8.316 1.00 0.00 N ATOM 581 CA HIS A 672 3.504 -22.519 -8.151 1.00 0.00 C ATOM 582 C HIS A 672 2.502 -23.656 -8.327 1.00 0.00 C ATOM 583 O HIS A 672 1.759 -23.989 -7.403 1.00 0.00 O ATOM 584 CB HIS A 672 4.162 -22.612 -6.774 1.00 0.00 C ATOM 585 CG HIS A 672 5.443 -21.843 -6.669 1.00 0.00 C ATOM 586 ND1 HIS A 672 6.090 -21.619 -5.472 1.00 0.00 N ATOM 587 CD2 HIS A 672 6.198 -21.246 -7.621 1.00 0.00 C ATOM 588 CE1 HIS A 672 7.187 -20.916 -5.692 1.00 0.00 C ATOM 589 NE2 HIS A 672 7.276 -20.677 -6.988 1.00 0.00 N ATOM 0 H HIS A 672 2.938 -20.605 -7.510 1.00 0.00 H new ATOM 0 HA HIS A 672 4.272 -22.613 -8.919 1.00 0.00 H new ATOM 0 HB2 HIS A 672 3.464 -22.244 -6.022 1.00 0.00 H new ATOM 0 HB3 HIS A 672 4.357 -23.659 -6.543 1.00 0.00 H new ATOM 0 HD2 HIS A 672 5.991 -21.222 -8.681 1.00 0.00 H new ATOM 0 HE1 HIS A 672 7.891 -20.592 -4.940 1.00 0.00 H new ATOM 0 HE2 HIS A 672 8.024 -20.155 -7.445 1.00 0.00 H new ATOM 597 N ILE A 673 2.486 -24.245 -9.518 1.00 0.00 N ATOM 598 CA ILE A 673 1.574 -25.344 -9.813 1.00 0.00 C ATOM 599 C ILE A 673 2.151 -26.676 -9.347 1.00 0.00 C ATOM 600 O ILE A 673 1.411 -27.602 -9.013 1.00 0.00 O ATOM 601 CB ILE A 673 1.266 -25.430 -11.320 1.00 0.00 C ATOM 602 CG1 ILE A 673 2.565 -25.530 -12.123 1.00 0.00 C ATOM 603 CG2 ILE A 673 0.454 -24.222 -11.764 1.00 0.00 C ATOM 604 CD1 ILE A 673 2.346 -25.818 -13.592 1.00 0.00 C ATOM 0 H ILE A 673 3.093 -23.980 -10.294 1.00 0.00 H new ATOM 0 HA ILE A 673 0.649 -25.142 -9.272 1.00 0.00 H new ATOM 0 HB ILE A 673 0.676 -26.328 -11.505 1.00 0.00 H new ATOM 0 HG12 ILE A 673 3.118 -24.596 -12.023 1.00 0.00 H new ATOM 0 HG13 ILE A 673 3.187 -26.316 -11.696 1.00 0.00 H new ATOM 0 HG21 ILE A 673 0.244 -24.297 -12.831 1.00 0.00 H new ATOM 0 HG22 ILE A 673 -0.485 -24.191 -11.211 1.00 0.00 H new ATOM 0 HG23 ILE A 673 1.020 -23.311 -11.569 1.00 0.00 H new ATOM 0 HD11 ILE A 673 3.309 -25.875 -14.099 1.00 0.00 H new ATOM 0 HD12 ILE A 673 1.821 -26.767 -13.702 1.00 0.00 H new ATOM 0 HD13 ILE A 673 1.750 -25.020 -14.034 1.00 0.00 H new ATOM 616 N VAL A 674 3.477 -26.766 -9.325 1.00 0.00 N ATOM 617 CA VAL A 674 4.153 -27.985 -8.897 1.00 0.00 C ATOM 618 C VAL A 674 3.647 -28.444 -7.534 1.00 0.00 C ATOM 619 O VAL A 674 3.312 -27.626 -6.677 1.00 0.00 O ATOM 620 CB VAL A 674 5.679 -27.784 -8.825 1.00 0.00 C ATOM 621 CG1 VAL A 674 6.376 -29.098 -8.507 1.00 0.00 C ATOM 622 CG2 VAL A 674 6.200 -27.196 -10.127 1.00 0.00 C ATOM 0 H VAL A 674 4.104 -26.010 -9.598 1.00 0.00 H new ATOM 0 HA VAL A 674 3.929 -28.750 -9.641 1.00 0.00 H new ATOM 0 HB VAL A 674 5.898 -27.081 -8.022 1.00 0.00 H new ATOM 0 HG11 VAL A 674 7.453 -28.937 -8.460 1.00 0.00 H new ATOM 0 HG12 VAL A 674 6.023 -29.474 -7.547 1.00 0.00 H new ATOM 0 HG13 VAL A 674 6.152 -29.827 -9.286 1.00 0.00 H new ATOM 0 HG21 VAL A 674 7.279 -27.061 -10.059 1.00 0.00 H new ATOM 0 HG22 VAL A 674 5.970 -27.873 -10.950 1.00 0.00 H new ATOM 0 HG23 VAL A 674 5.724 -26.232 -10.307 1.00 0.00 H new ATOM 632 N ARG A 675 3.596 -29.758 -7.340 1.00 0.00 N ATOM 633 CA ARG A 675 3.130 -30.326 -6.081 1.00 0.00 C ATOM 634 C ARG A 675 4.256 -31.074 -5.373 1.00 0.00 C ATOM 635 O ARG A 675 4.249 -31.215 -4.150 1.00 0.00 O ATOM 636 CB ARG A 675 1.953 -31.271 -6.328 1.00 0.00 C ATOM 637 CG ARG A 675 0.598 -30.585 -6.267 1.00 0.00 C ATOM 638 CD ARG A 675 -0.485 -31.432 -6.917 1.00 0.00 C ATOM 639 NE ARG A 675 -0.812 -32.610 -6.117 1.00 0.00 N ATOM 640 CZ ARG A 675 -1.654 -33.557 -6.514 1.00 0.00 C ATOM 641 NH1 ARG A 675 -2.251 -33.466 -7.695 1.00 0.00 N ATOM 642 NH2 ARG A 675 -1.900 -34.599 -5.730 1.00 0.00 N ATOM 0 H ARG A 675 3.872 -30.449 -8.038 1.00 0.00 H new ATOM 0 HA ARG A 675 2.802 -29.507 -5.441 1.00 0.00 H new ATOM 0 HB2 ARG A 675 2.071 -31.737 -7.306 1.00 0.00 H new ATOM 0 HB3 ARG A 675 1.979 -32.071 -5.589 1.00 0.00 H new ATOM 0 HG2 ARG A 675 0.334 -30.390 -5.228 1.00 0.00 H new ATOM 0 HG3 ARG A 675 0.655 -29.619 -6.768 1.00 0.00 H new ATOM 0 HD2 ARG A 675 -1.382 -30.829 -7.057 1.00 0.00 H new ATOM 0 HD3 ARG A 675 -0.154 -31.746 -7.907 1.00 0.00 H new ATOM 0 HE ARG A 675 -0.369 -32.710 -5.204 1.00 0.00 H new ATOM 0 HH11 ARG A 675 -2.064 -32.667 -8.301 1.00 0.00 H new ATOM 0 HH12 ARG A 675 -2.897 -34.195 -7.997 1.00 0.00 H new ATOM 0 HH21 ARG A 675 -1.442 -34.673 -4.822 1.00 0.00 H new ATOM 0 HH22 ARG A 675 -2.547 -35.326 -6.036 1.00 0.00 H new ATOM 656 N LYS A 676 5.222 -31.553 -6.150 1.00 0.00 N ATOM 657 CA LYS A 676 6.355 -32.285 -5.598 1.00 0.00 C ATOM 658 C LYS A 676 7.017 -31.497 -4.472 1.00 0.00 C ATOM 659 O LYS A 676 7.157 -31.994 -3.354 1.00 0.00 O ATOM 660 CB LYS A 676 7.379 -32.583 -6.696 1.00 0.00 C ATOM 661 CG LYS A 676 6.891 -33.585 -7.728 1.00 0.00 C ATOM 662 CD LYS A 676 7.757 -33.568 -8.976 1.00 0.00 C ATOM 663 CE LYS A 676 7.466 -32.350 -9.839 1.00 0.00 C ATOM 664 NZ LYS A 676 8.449 -32.209 -10.949 1.00 0.00 N ATOM 0 H LYS A 676 5.242 -31.447 -7.164 1.00 0.00 H new ATOM 0 HA LYS A 676 5.984 -33.225 -5.190 1.00 0.00 H new ATOM 0 HB2 LYS A 676 7.639 -31.652 -7.200 1.00 0.00 H new ATOM 0 HB3 LYS A 676 8.292 -32.963 -6.237 1.00 0.00 H new ATOM 0 HG2 LYS A 676 6.895 -34.585 -7.295 1.00 0.00 H new ATOM 0 HG3 LYS A 676 5.859 -33.358 -7.997 1.00 0.00 H new ATOM 0 HD2 LYS A 676 8.809 -33.570 -8.690 1.00 0.00 H new ATOM 0 HD3 LYS A 676 7.582 -34.475 -9.554 1.00 0.00 H new ATOM 0 HE2 LYS A 676 6.461 -32.430 -10.252 1.00 0.00 H new ATOM 0 HE3 LYS A 676 7.486 -31.453 -9.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 8.216 -31.367 -11.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 9.406 -32.108 -10.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 8.412 -33.054 -11.555 1.00 0.00 H new ATOM 678 N ARG A 677 7.419 -30.267 -4.774 1.00 0.00 N ATOM 679 CA ARG A 677 8.065 -29.411 -3.786 1.00 0.00 C ATOM 680 C ARG A 677 7.091 -29.034 -2.673 1.00 0.00 C ATOM 681 O ARG A 677 7.401 -29.250 -1.503 1.00 0.00 O ATOM 682 CB ARG A 677 8.608 -28.146 -4.453 1.00 0.00 C ATOM 683 CG ARG A 677 9.778 -28.405 -5.389 1.00 0.00 C ATOM 684 CD ARG A 677 10.543 -27.127 -5.692 1.00 0.00 C ATOM 685 NE ARG A 677 11.312 -26.663 -4.540 1.00 0.00 N ATOM 686 CZ ARG A 677 12.498 -27.156 -4.201 1.00 0.00 C ATOM 687 NH1 ARG A 677 13.048 -28.122 -4.922 1.00 0.00 N ATOM 688 NH2 ARG A 677 13.136 -26.682 -3.138 1.00 0.00 N ATOM 0 H ARG A 677 7.309 -29.841 -5.694 1.00 0.00 H new ATOM 0 HA ARG A 677 8.894 -29.967 -3.347 1.00 0.00 H new ATOM 0 HB2 ARG A 677 7.805 -27.667 -5.013 1.00 0.00 H new ATOM 0 HB3 ARG A 677 8.920 -27.444 -3.680 1.00 0.00 H new ATOM 0 HG2 ARG A 677 10.451 -29.135 -4.939 1.00 0.00 H new ATOM 0 HG3 ARG A 677 9.412 -28.840 -6.319 1.00 0.00 H new ATOM 0 HD2 ARG A 677 11.216 -27.298 -6.532 1.00 0.00 H new ATOM 0 HD3 ARG A 677 9.843 -26.349 -5.998 1.00 0.00 H new ATOM 0 HE ARG A 677 10.917 -25.920 -3.964 1.00 0.00 H new ATOM 0 HH11 ARG A 677 12.561 -28.489 -5.740 1.00 0.00 H new ATOM 0 HH12 ARG A 677 13.959 -28.499 -4.660 1.00 0.00 H new ATOM 0 HH21 ARG A 677 12.716 -25.938 -2.580 1.00 0.00 H new ATOM 0 HH22 ARG A 677 14.047 -27.061 -2.879 1.00 0.00 H new TER 702 ARG A 677 ATOM 703 N GLU B 634 -9.170 40.432 3.525 1.00 0.00 N ATOM 704 CA GLU B 634 -9.354 39.776 2.236 1.00 0.00 C ATOM 705 C GLU B 634 -8.781 38.361 2.259 1.00 0.00 C ATOM 706 O GLU B 634 -9.334 37.446 1.651 1.00 0.00 O ATOM 707 CB GLU B 634 -8.687 40.590 1.125 1.00 0.00 C ATOM 708 CG GLU B 634 -9.270 41.982 0.957 1.00 0.00 C ATOM 709 CD GLU B 634 -8.861 42.632 -0.351 1.00 0.00 C ATOM 710 OE1 GLU B 634 -9.282 42.135 -1.417 1.00 0.00 O ATOM 711 OE2 GLU B 634 -8.121 43.637 -0.309 1.00 0.00 O ATOM 0 HA GLU B 634 -10.424 39.713 2.038 1.00 0.00 H new ATOM 0 HB2 GLU B 634 -7.621 40.675 1.338 1.00 0.00 H new ATOM 0 HB3 GLU B 634 -8.782 40.049 0.183 1.00 0.00 H new ATOM 0 HG2 GLU B 634 -10.357 41.925 1.005 1.00 0.00 H new ATOM 0 HG3 GLU B 634 -8.947 42.610 1.787 1.00 0.00 H new ATOM 718 N GLY B 635 -7.669 38.191 2.967 1.00 0.00 N ATOM 719 CA GLY B 635 -7.039 36.887 3.056 1.00 0.00 C ATOM 720 C GLY B 635 -6.611 36.355 1.702 1.00 0.00 C ATOM 721 O GLY B 635 -5.853 37.008 0.983 1.00 0.00 O ATOM 0 H GLY B 635 -7.193 38.933 3.480 1.00 0.00 H new ATOM 0 HA2 GLY B 635 -6.169 36.951 3.709 1.00 0.00 H new ATOM 0 HA3 GLY B 635 -7.732 36.183 3.517 1.00 0.00 H new ATOM 725 N CYS B 636 -7.095 35.169 1.355 1.00 0.00 N ATOM 726 CA CYS B 636 -6.756 34.548 0.079 1.00 0.00 C ATOM 727 C CYS B 636 -5.244 34.483 -0.109 1.00 0.00 C ATOM 728 O CYS B 636 -4.668 35.169 -0.954 1.00 0.00 O ATOM 729 CB CYS B 636 -7.392 35.326 -1.075 1.00 0.00 C ATOM 730 SG CYS B 636 -9.064 34.782 -1.497 1.00 0.00 S ATOM 0 H CYS B 636 -7.724 34.617 1.939 1.00 0.00 H new ATOM 0 HA CYS B 636 -7.148 33.531 0.082 1.00 0.00 H new ATOM 0 HB2 CYS B 636 -7.420 36.384 -0.814 1.00 0.00 H new ATOM 0 HB3 CYS B 636 -6.757 35.232 -1.956 1.00 0.00 H new ATOM 0 HG CYS B 636 -9.518 35.500 -2.481 1.00 0.00 H new ATOM 736 N PRO B 637 -4.583 33.639 0.698 1.00 0.00 N ATOM 737 CA PRO B 637 -3.129 33.465 0.640 1.00 0.00 C ATOM 738 C PRO B 637 -2.680 32.754 -0.632 1.00 0.00 C ATOM 739 O PRO B 637 -1.484 32.637 -0.902 1.00 0.00 O ATOM 740 CB PRO B 637 -2.826 32.604 1.869 1.00 0.00 C ATOM 741 CG PRO B 637 -4.093 31.865 2.135 1.00 0.00 C ATOM 742 CD PRO B 637 -5.205 32.791 1.728 1.00 0.00 C ATOM 0 HA PRO B 637 -2.604 34.420 0.631 1.00 0.00 H new ATOM 0 HB2 PRO B 637 -2.000 31.918 1.678 1.00 0.00 H new ATOM 0 HB3 PRO B 637 -2.539 33.219 2.722 1.00 0.00 H new ATOM 0 HG2 PRO B 637 -4.130 30.936 1.565 1.00 0.00 H new ATOM 0 HG3 PRO B 637 -4.174 31.596 3.188 1.00 0.00 H new ATOM 0 HD2 PRO B 637 -6.061 32.243 1.334 1.00 0.00 H new ATOM 0 HD3 PRO B 637 -5.565 33.381 2.571 1.00 0.00 H new ATOM 750 N THR B 638 -3.647 32.281 -1.412 1.00 0.00 N ATOM 751 CA THR B 638 -3.351 31.581 -2.656 1.00 0.00 C ATOM 752 C THR B 638 -2.647 30.256 -2.387 1.00 0.00 C ATOM 753 O THR B 638 -1.733 29.869 -3.115 1.00 0.00 O ATOM 754 CB THR B 638 -2.472 32.437 -3.587 1.00 0.00 C ATOM 755 OG1 THR B 638 -2.750 33.827 -3.383 1.00 0.00 O ATOM 756 CG2 THR B 638 -2.714 32.075 -5.044 1.00 0.00 C ATOM 0 H THR B 638 -4.642 32.370 -1.204 1.00 0.00 H new ATOM 0 HA THR B 638 -4.306 31.389 -3.146 1.00 0.00 H new ATOM 0 HB THR B 638 -1.427 32.237 -3.348 1.00 0.00 H new ATOM 0 HG1 THR B 638 -2.186 34.364 -3.978 1.00 0.00 H new ATOM 0 HG21 THR B 638 -2.082 32.693 -5.682 1.00 0.00 H new ATOM 0 HG22 THR B 638 -2.473 31.024 -5.203 1.00 0.00 H new ATOM 0 HG23 THR B 638 -3.761 32.249 -5.293 1.00 0.00 H new ATOM 764 N ASN B 639 -3.078 29.564 -1.338 1.00 0.00 N ATOM 765 CA ASN B 639 -2.489 28.281 -0.974 1.00 0.00 C ATOM 766 C ASN B 639 -3.140 27.142 -1.752 1.00 0.00 C ATOM 767 O ASN B 639 -4.354 27.129 -1.954 1.00 0.00 O ATOM 768 CB ASN B 639 -2.636 28.037 0.530 1.00 0.00 C ATOM 769 CG ASN B 639 -2.402 26.586 0.906 1.00 0.00 C ATOM 770 OD1 ASN B 639 -3.279 25.739 0.734 1.00 0.00 O ATOM 771 ND2 ASN B 639 -1.214 26.294 1.422 1.00 0.00 N ATOM 0 H ASN B 639 -3.833 29.870 -0.725 1.00 0.00 H new ATOM 0 HA ASN B 639 -1.430 28.311 -1.229 1.00 0.00 H new ATOM 0 HB2 ASN B 639 -1.929 28.668 1.068 1.00 0.00 H new ATOM 0 HB3 ASN B 639 -3.635 28.335 0.848 1.00 0.00 H new ATOM 0 HD21 ASN B 639 -0.998 25.335 1.694 1.00 0.00 H new ATOM 0 HD22 ASN B 639 -0.517 27.029 1.546 1.00 0.00 H new ATOM 778 N GLY B 640 -2.324 26.185 -2.185 1.00 0.00 N ATOM 779 CA GLY B 640 -2.839 25.055 -2.935 1.00 0.00 C ATOM 780 C GLY B 640 -1.964 23.824 -2.803 1.00 0.00 C ATOM 781 O GLY B 640 -0.842 23.885 -2.301 1.00 0.00 O ATOM 0 H GLY B 640 -1.316 26.173 -2.030 1.00 0.00 H new ATOM 0 HA2 GLY B 640 -3.845 24.821 -2.588 1.00 0.00 H new ATOM 0 HA3 GLY B 640 -2.920 25.328 -3.987 1.00 0.00 H new ATOM 785 N PRO B 641 -2.482 22.674 -3.259 1.00 0.00 N ATOM 786 CA PRO B 641 -1.757 21.401 -3.199 1.00 0.00 C ATOM 787 C PRO B 641 -0.572 21.363 -4.158 1.00 0.00 C ATOM 788 O PRO B 641 -0.622 21.937 -5.246 1.00 0.00 O ATOM 789 CB PRO B 641 -2.812 20.372 -3.611 1.00 0.00 C ATOM 790 CG PRO B 641 -3.783 21.137 -4.443 1.00 0.00 C ATOM 791 CD PRO B 641 -3.814 22.527 -3.870 1.00 0.00 C ATOM 0 HA PRO B 641 -1.330 21.222 -2.212 1.00 0.00 H new ATOM 0 HB2 PRO B 641 -2.367 19.553 -4.175 1.00 0.00 H new ATOM 0 HB3 PRO B 641 -3.297 19.932 -2.740 1.00 0.00 H new ATOM 0 HG2 PRO B 641 -3.474 21.153 -5.488 1.00 0.00 H new ATOM 0 HG3 PRO B 641 -4.772 20.679 -4.410 1.00 0.00 H new ATOM 0 HD2 PRO B 641 -3.987 23.276 -4.643 1.00 0.00 H new ATOM 0 HD3 PRO B 641 -4.609 22.640 -3.133 1.00 0.00 H new ATOM 799 N LYS B 642 0.493 20.682 -3.749 1.00 0.00 N ATOM 800 CA LYS B 642 1.691 20.567 -4.572 1.00 0.00 C ATOM 801 C LYS B 642 2.596 19.450 -4.062 1.00 0.00 C ATOM 802 O LYS B 642 2.175 18.613 -3.263 1.00 0.00 O ATOM 803 CB LYS B 642 2.456 21.892 -4.584 1.00 0.00 C ATOM 804 CG LYS B 642 3.129 22.218 -3.262 1.00 0.00 C ATOM 805 CD LYS B 642 2.124 22.692 -2.226 1.00 0.00 C ATOM 806 CE LYS B 642 1.941 21.667 -1.117 1.00 0.00 C ATOM 807 NZ LYS B 642 0.712 21.927 -0.318 1.00 0.00 N ATOM 0 H LYS B 642 0.551 20.201 -2.851 1.00 0.00 H new ATOM 0 HA LYS B 642 1.381 20.324 -5.588 1.00 0.00 H new ATOM 0 HB2 LYS B 642 3.212 21.858 -5.368 1.00 0.00 H new ATOM 0 HB3 LYS B 642 1.767 22.697 -4.840 1.00 0.00 H new ATOM 0 HG2 LYS B 642 3.648 21.335 -2.889 1.00 0.00 H new ATOM 0 HG3 LYS B 642 3.884 22.989 -3.417 1.00 0.00 H new ATOM 0 HD2 LYS B 642 2.459 23.637 -1.798 1.00 0.00 H new ATOM 0 HD3 LYS B 642 1.165 22.883 -2.708 1.00 0.00 H new ATOM 0 HE2 LYS B 642 1.887 20.668 -1.551 1.00 0.00 H new ATOM 0 HE3 LYS B 642 2.811 21.683 -0.461 1.00 0.00 H new ATOM 0 HZ1 LYS B 642 0.502 21.099 0.276 1.00 0.00 H new ATOM 0 HZ2 LYS B 642 0.861 22.759 0.288 1.00 0.00 H new ATOM 0 HZ3 LYS B 642 -0.088 22.105 -0.959 1.00 0.00 H new ATOM 821 N ILE B 643 3.841 19.444 -4.528 1.00 0.00 N ATOM 822 CA ILE B 643 4.805 18.432 -4.116 1.00 0.00 C ATOM 823 C ILE B 643 5.975 19.059 -3.366 1.00 0.00 C ATOM 824 O ILE B 643 7.053 19.279 -3.919 1.00 0.00 O ATOM 825 CB ILE B 643 5.347 17.646 -5.325 1.00 0.00 C ATOM 826 CG1 ILE B 643 5.247 18.492 -6.597 1.00 0.00 C ATOM 827 CG2 ILE B 643 4.588 16.339 -5.491 1.00 0.00 C ATOM 828 CD1 ILE B 643 6.138 19.714 -6.581 1.00 0.00 C ATOM 0 H ILE B 643 4.205 20.129 -5.191 1.00 0.00 H new ATOM 0 HA ILE B 643 4.278 17.746 -3.453 1.00 0.00 H new ATOM 0 HB ILE B 643 6.397 17.413 -5.147 1.00 0.00 H new ATOM 0 HG12 ILE B 643 5.507 17.874 -7.456 1.00 0.00 H new ATOM 0 HG13 ILE B 643 4.213 18.808 -6.733 1.00 0.00 H new ATOM 0 HG21 ILE B 643 4.983 15.795 -6.349 1.00 0.00 H new ATOM 0 HG22 ILE B 643 4.706 15.733 -4.592 1.00 0.00 H new ATOM 0 HG23 ILE B 643 3.531 16.550 -5.650 1.00 0.00 H new ATOM 0 HD11 ILE B 643 6.016 20.266 -7.513 1.00 0.00 H new ATOM 0 HD12 ILE B 643 5.864 20.353 -5.742 1.00 0.00 H new ATOM 0 HD13 ILE B 643 7.178 19.405 -6.476 1.00 0.00 H new ATOM 840 N PRO B 644 5.760 19.353 -2.075 1.00 0.00 N ATOM 841 CA PRO B 644 6.786 19.957 -1.219 1.00 0.00 C ATOM 842 C PRO B 644 7.926 18.992 -0.912 1.00 0.00 C ATOM 843 O PRO B 644 8.052 17.943 -1.544 1.00 0.00 O ATOM 844 CB PRO B 644 6.021 20.306 0.060 1.00 0.00 C ATOM 845 CG PRO B 644 4.874 19.355 0.086 1.00 0.00 C ATOM 846 CD PRO B 644 4.500 19.118 -1.351 1.00 0.00 C ATOM 0 HA PRO B 644 7.261 20.815 -1.695 1.00 0.00 H new ATOM 0 HB2 PRO B 644 6.651 20.191 0.942 1.00 0.00 H new ATOM 0 HB3 PRO B 644 5.678 21.340 0.046 1.00 0.00 H new ATOM 0 HG2 PRO B 644 5.152 18.422 0.576 1.00 0.00 H new ATOM 0 HG3 PRO B 644 4.035 19.771 0.644 1.00 0.00 H new ATOM 0 HD2 PRO B 644 4.129 18.105 -1.508 1.00 0.00 H new ATOM 0 HD3 PRO B 644 3.715 19.799 -1.679 1.00 0.00 H new ATOM 854 N SER B 645 8.755 19.354 0.063 1.00 0.00 N ATOM 855 CA SER B 645 9.887 18.521 0.452 1.00 0.00 C ATOM 856 C SER B 645 9.416 17.289 1.219 1.00 0.00 C ATOM 857 O SER B 645 10.194 16.369 1.475 1.00 0.00 O ATOM 858 CB SER B 645 10.868 19.325 1.307 1.00 0.00 C ATOM 859 OG SER B 645 10.692 20.717 1.113 1.00 0.00 O ATOM 0 H SER B 645 8.664 20.218 0.597 1.00 0.00 H new ATOM 0 HA SER B 645 10.393 18.191 -0.455 1.00 0.00 H new ATOM 0 HB2 SER B 645 10.723 19.080 2.359 1.00 0.00 H new ATOM 0 HB3 SER B 645 11.890 19.046 1.053 1.00 0.00 H new ATOM 0 HG SER B 645 11.339 21.208 1.661 1.00 0.00 H new ATOM 865 N ILE B 646 8.139 17.279 1.584 1.00 0.00 N ATOM 866 CA ILE B 646 7.564 16.160 2.321 1.00 0.00 C ATOM 867 C ILE B 646 7.529 14.898 1.466 1.00 0.00 C ATOM 868 O ILE B 646 7.306 13.799 1.972 1.00 0.00 O ATOM 869 CB ILE B 646 6.137 16.479 2.804 1.00 0.00 C ATOM 870 CG1 ILE B 646 6.111 17.821 3.538 1.00 0.00 C ATOM 871 CG2 ILE B 646 5.622 15.367 3.706 1.00 0.00 C ATOM 872 CD1 ILE B 646 4.719 18.278 3.914 1.00 0.00 C ATOM 0 H ILE B 646 7.482 18.033 1.382 1.00 0.00 H new ATOM 0 HA ILE B 646 8.203 15.991 3.187 1.00 0.00 H new ATOM 0 HB ILE B 646 5.483 16.549 1.935 1.00 0.00 H new ATOM 0 HG12 ILE B 646 6.715 17.743 4.442 1.00 0.00 H new ATOM 0 HG13 ILE B 646 6.576 18.579 2.908 1.00 0.00 H new ATOM 0 HG21 ILE B 646 4.612 15.607 4.039 1.00 0.00 H new ATOM 0 HG22 ILE B 646 5.608 14.427 3.154 1.00 0.00 H new ATOM 0 HG23 ILE B 646 6.276 15.269 4.572 1.00 0.00 H new ATOM 0 HD11 ILE B 646 4.778 19.236 4.431 1.00 0.00 H new ATOM 0 HD12 ILE B 646 4.116 18.388 3.012 1.00 0.00 H new ATOM 0 HD13 ILE B 646 4.258 17.539 4.570 1.00 0.00 H new ATOM 884 N ALA B 647 7.752 15.064 0.166 1.00 0.00 N ATOM 885 CA ALA B 647 7.750 13.938 -0.759 1.00 0.00 C ATOM 886 C ALA B 647 8.648 12.813 -0.256 1.00 0.00 C ATOM 887 O ALA B 647 8.404 11.638 -0.534 1.00 0.00 O ATOM 888 CB ALA B 647 8.193 14.391 -2.143 1.00 0.00 C ATOM 0 H ALA B 647 7.936 15.968 -0.270 1.00 0.00 H new ATOM 0 HA ALA B 647 6.732 13.554 -0.823 1.00 0.00 H new ATOM 0 HB1 ALA B 647 8.187 13.540 -2.824 1.00 0.00 H new ATOM 0 HB2 ALA B 647 7.509 15.156 -2.512 1.00 0.00 H new ATOM 0 HB3 ALA B 647 9.201 14.803 -2.086 1.00 0.00 H new ATOM 894 N THR B 648 9.689 13.179 0.486 1.00 0.00 N ATOM 895 CA THR B 648 10.624 12.200 1.026 1.00 0.00 C ATOM 896 C THR B 648 9.900 11.149 1.859 1.00 0.00 C ATOM 897 O THR B 648 10.100 9.949 1.673 1.00 0.00 O ATOM 898 CB THR B 648 11.702 12.874 1.895 1.00 0.00 C ATOM 899 OG1 THR B 648 11.952 14.203 1.424 1.00 0.00 O ATOM 900 CG2 THR B 648 12.994 12.072 1.874 1.00 0.00 C ATOM 0 H THR B 648 9.905 14.146 0.726 1.00 0.00 H new ATOM 0 HA THR B 648 11.103 11.717 0.174 1.00 0.00 H new ATOM 0 HB THR B 648 11.335 12.916 2.921 1.00 0.00 H new ATOM 0 HG1 THR B 648 12.637 14.625 1.983 1.00 0.00 H new ATOM 0 HG21 THR B 648 13.740 12.568 2.495 1.00 0.00 H new ATOM 0 HG22 THR B 648 12.807 11.071 2.262 1.00 0.00 H new ATOM 0 HG23 THR B 648 13.362 12.002 0.850 1.00 0.00 H new ATOM 908 N GLY B 649 9.055 11.607 2.778 1.00 0.00 N ATOM 909 CA GLY B 649 8.313 10.692 3.626 1.00 0.00 C ATOM 910 C GLY B 649 7.258 9.919 2.860 1.00 0.00 C ATOM 911 O GLY B 649 6.943 8.780 3.202 1.00 0.00 O ATOM 0 H GLY B 649 8.871 12.595 2.950 1.00 0.00 H new ATOM 0 HA2 GLY B 649 9.005 9.991 4.093 1.00 0.00 H new ATOM 0 HA3 GLY B 649 7.836 11.252 4.430 1.00 0.00 H new ATOM 915 N MET B 650 6.709 10.541 1.821 1.00 0.00 N ATOM 916 CA MET B 650 5.681 9.903 1.005 1.00 0.00 C ATOM 917 C MET B 650 6.265 8.742 0.207 1.00 0.00 C ATOM 918 O MET B 650 5.769 7.617 0.277 1.00 0.00 O ATOM 919 CB MET B 650 5.048 10.923 0.056 1.00 0.00 C ATOM 920 CG MET B 650 4.615 12.207 0.745 1.00 0.00 C ATOM 921 SD MET B 650 3.523 11.908 2.148 1.00 0.00 S ATOM 922 CE MET B 650 2.247 10.913 1.378 1.00 0.00 C ATOM 0 H MET B 650 6.958 11.485 1.524 1.00 0.00 H new ATOM 0 HA MET B 650 4.912 9.512 1.672 1.00 0.00 H new ATOM 0 HB2 MET B 650 5.761 11.166 -0.732 1.00 0.00 H new ATOM 0 HB3 MET B 650 4.182 10.470 -0.427 1.00 0.00 H new ATOM 0 HG2 MET B 650 5.498 12.748 1.086 1.00 0.00 H new ATOM 0 HG3 MET B 650 4.107 12.848 0.024 1.00 0.00 H new ATOM 0 HE1 MET B 650 1.267 11.312 1.639 1.00 0.00 H new ATOM 0 HE2 MET B 650 2.371 10.936 0.295 1.00 0.00 H new ATOM 0 HE3 MET B 650 2.325 9.885 1.730 1.00 0.00 H new ATOM 932 N VAL B 651 7.320 9.021 -0.552 1.00 0.00 N ATOM 933 CA VAL B 651 7.971 8.000 -1.363 1.00 0.00 C ATOM 934 C VAL B 651 8.456 6.840 -0.500 1.00 0.00 C ATOM 935 O VAL B 651 8.271 5.674 -0.847 1.00 0.00 O ATOM 936 CB VAL B 651 9.165 8.579 -2.143 1.00 0.00 C ATOM 937 CG1 VAL B 651 9.816 7.503 -2.999 1.00 0.00 C ATOM 938 CG2 VAL B 651 8.721 9.756 -2.999 1.00 0.00 C ATOM 0 H VAL B 651 7.742 9.947 -0.622 1.00 0.00 H new ATOM 0 HA VAL B 651 7.227 7.636 -2.071 1.00 0.00 H new ATOM 0 HB VAL B 651 9.905 8.938 -1.427 1.00 0.00 H new ATOM 0 HG11 VAL B 651 10.658 7.931 -3.543 1.00 0.00 H new ATOM 0 HG12 VAL B 651 10.170 6.694 -2.360 1.00 0.00 H new ATOM 0 HG13 VAL B 651 9.087 7.112 -3.708 1.00 0.00 H new ATOM 0 HG21 VAL B 651 9.577 10.153 -3.544 1.00 0.00 H new ATOM 0 HG22 VAL B 651 7.962 9.425 -3.708 1.00 0.00 H new ATOM 0 HG23 VAL B 651 8.305 10.534 -2.360 1.00 0.00 H new ATOM 948 N GLY B 652 9.079 7.169 0.628 1.00 0.00 N ATOM 949 CA GLY B 652 9.581 6.144 1.524 1.00 0.00 C ATOM 950 C GLY B 652 8.468 5.346 2.175 1.00 0.00 C ATOM 951 O GLY B 652 8.593 4.137 2.367 1.00 0.00 O ATOM 0 H GLY B 652 9.245 8.127 0.937 1.00 0.00 H new ATOM 0 HA2 GLY B 652 10.232 5.468 0.969 1.00 0.00 H new ATOM 0 HA3 GLY B 652 10.191 6.610 2.298 1.00 0.00 H new ATOM 955 N ALA B 653 7.378 6.025 2.517 1.00 0.00 N ATOM 956 CA ALA B 653 6.239 5.372 3.150 1.00 0.00 C ATOM 957 C ALA B 653 5.490 4.490 2.156 1.00 0.00 C ATOM 958 O ALA B 653 5.072 3.380 2.488 1.00 0.00 O ATOM 959 CB ALA B 653 5.301 6.410 3.748 1.00 0.00 C ATOM 0 H ALA B 653 7.260 7.027 2.366 1.00 0.00 H new ATOM 0 HA ALA B 653 6.615 4.735 3.950 1.00 0.00 H new ATOM 0 HB1 ALA B 653 4.455 5.908 4.217 1.00 0.00 H new ATOM 0 HB2 ALA B 653 5.836 6.996 4.496 1.00 0.00 H new ATOM 0 HB3 ALA B 653 4.939 7.071 2.960 1.00 0.00 H new ATOM 965 N LEU B 654 5.323 4.990 0.937 1.00 0.00 N ATOM 966 CA LEU B 654 4.624 4.247 -0.106 1.00 0.00 C ATOM 967 C LEU B 654 5.333 2.931 -0.405 1.00 0.00 C ATOM 968 O LEU B 654 4.704 1.874 -0.467 1.00 0.00 O ATOM 969 CB LEU B 654 4.525 5.088 -1.380 1.00 0.00 C ATOM 970 CG LEU B 654 3.624 6.321 -1.302 1.00 0.00 C ATOM 971 CD1 LEU B 654 4.028 7.344 -2.352 1.00 0.00 C ATOM 972 CD2 LEU B 654 2.164 5.926 -1.472 1.00 0.00 C ATOM 0 H LEU B 654 5.662 5.907 0.646 1.00 0.00 H new ATOM 0 HA LEU B 654 3.619 4.023 0.253 1.00 0.00 H new ATOM 0 HB2 LEU B 654 5.528 5.413 -1.656 1.00 0.00 H new ATOM 0 HB3 LEU B 654 4.164 4.449 -2.186 1.00 0.00 H new ATOM 0 HG LEU B 654 3.744 6.774 -0.318 1.00 0.00 H new ATOM 0 HD11 LEU B 654 3.376 8.215 -2.282 1.00 0.00 H new ATOM 0 HD12 LEU B 654 5.061 7.650 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU B 654 3.937 6.902 -3.344 1.00 0.00 H new ATOM 0 HD21 LEU B 654 1.537 6.816 -1.414 1.00 0.00 H new ATOM 0 HD22 LEU B 654 2.027 5.448 -2.442 1.00 0.00 H new ATOM 0 HD23 LEU B 654 1.881 5.230 -0.682 1.00 0.00 H new ATOM 984 N LEU B 655 6.647 3.001 -0.589 1.00 0.00 N ATOM 985 CA LEU B 655 7.444 1.814 -0.880 1.00 0.00 C ATOM 986 C LEU B 655 7.423 0.843 0.296 1.00 0.00 C ATOM 987 O LEU B 655 7.179 -0.352 0.124 1.00 0.00 O ATOM 988 CB LEU B 655 8.885 2.210 -1.204 1.00 0.00 C ATOM 989 CG LEU B 655 9.071 3.151 -2.395 1.00 0.00 C ATOM 990 CD1 LEU B 655 10.430 3.832 -2.330 1.00 0.00 C ATOM 991 CD2 LEU B 655 8.915 2.391 -3.704 1.00 0.00 C ATOM 0 H LEU B 655 7.183 3.867 -0.542 1.00 0.00 H new ATOM 0 HA LEU B 655 7.008 1.316 -1.746 1.00 0.00 H new ATOM 0 HB2 LEU B 655 9.318 2.683 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU B 655 9.457 1.301 -1.392 1.00 0.00 H new ATOM 0 HG LEU B 655 8.300 3.920 -2.350 1.00 0.00 H new ATOM 0 HD11 LEU B 655 10.545 4.498 -3.185 1.00 0.00 H new ATOM 0 HD12 LEU B 655 10.504 4.409 -1.408 1.00 0.00 H new ATOM 0 HD13 LEU B 655 11.216 3.077 -2.350 1.00 0.00 H new ATOM 0 HD21 LEU B 655 9.050 3.076 -4.541 1.00 0.00 H new ATOM 0 HD22 LEU B 655 9.664 1.601 -3.757 1.00 0.00 H new ATOM 0 HD23 LEU B 655 7.919 1.951 -3.753 1.00 0.00 H new ATOM 1003 N LEU B 656 7.680 1.363 1.491 1.00 0.00 N ATOM 1004 CA LEU B 656 7.689 0.543 2.697 1.00 0.00 C ATOM 1005 C LEU B 656 6.330 -0.113 2.920 1.00 0.00 C ATOM 1006 O LEU B 656 6.247 -1.281 3.301 1.00 0.00 O ATOM 1007 CB LEU B 656 8.063 1.392 3.913 1.00 0.00 C ATOM 1008 CG LEU B 656 9.526 1.828 4.003 1.00 0.00 C ATOM 1009 CD1 LEU B 656 9.701 2.895 5.073 1.00 0.00 C ATOM 1010 CD2 LEU B 656 10.423 0.632 4.288 1.00 0.00 C ATOM 0 H LEU B 656 7.885 2.349 1.651 1.00 0.00 H new ATOM 0 HA LEU B 656 8.434 -0.242 2.567 1.00 0.00 H new ATOM 0 HB2 LEU B 656 7.438 2.285 3.914 1.00 0.00 H new ATOM 0 HB3 LEU B 656 7.816 0.830 4.813 1.00 0.00 H new ATOM 0 HG LEU B 656 9.817 2.254 3.043 1.00 0.00 H new ATOM 0 HD11 LEU B 656 10.748 3.193 5.122 1.00 0.00 H new ATOM 0 HD12 LEU B 656 9.089 3.762 4.826 1.00 0.00 H new ATOM 0 HD13 LEU B 656 9.391 2.496 6.039 1.00 0.00 H new ATOM 0 HD21 LEU B 656 11.460 0.961 4.349 1.00 0.00 H new ATOM 0 HD22 LEU B 656 10.131 0.176 5.234 1.00 0.00 H new ATOM 0 HD23 LEU B 656 10.321 -0.099 3.486 1.00 0.00 H new ATOM 1022 N LEU B 657 5.266 0.645 2.677 1.00 0.00 N ATOM 1023 CA LEU B 657 3.910 0.137 2.849 1.00 0.00 C ATOM 1024 C LEU B 657 3.679 -1.101 1.988 1.00 0.00 C ATOM 1025 O LEU B 657 3.237 -2.140 2.481 1.00 0.00 O ATOM 1026 CB LEU B 657 2.890 1.219 2.490 1.00 0.00 C ATOM 1027 CG LEU B 657 2.615 2.266 3.570 1.00 0.00 C ATOM 1028 CD1 LEU B 657 2.002 3.516 2.957 1.00 0.00 C ATOM 1029 CD2 LEU B 657 1.703 1.696 4.646 1.00 0.00 C ATOM 0 H LEU B 657 5.317 1.613 2.360 1.00 0.00 H new ATOM 0 HA LEU B 657 3.783 -0.142 3.895 1.00 0.00 H new ATOM 0 HB2 LEU B 657 3.236 1.733 1.593 1.00 0.00 H new ATOM 0 HB3 LEU B 657 1.948 0.733 2.235 1.00 0.00 H new ATOM 0 HG LEU B 657 3.563 2.540 4.033 1.00 0.00 H new ATOM 0 HD11 LEU B 657 1.813 4.250 3.740 1.00 0.00 H new ATOM 0 HD12 LEU B 657 2.690 3.937 2.224 1.00 0.00 H new ATOM 0 HD13 LEU B 657 1.063 3.258 2.467 1.00 0.00 H new ATOM 0 HD21 LEU B 657 1.518 2.455 5.406 1.00 0.00 H new ATOM 0 HD22 LEU B 657 0.757 1.393 4.198 1.00 0.00 H new ATOM 0 HD23 LEU B 657 2.180 0.830 5.106 1.00 0.00 H new ATOM 1041 N LEU B 658 3.982 -0.984 0.700 1.00 0.00 N ATOM 1042 CA LEU B 658 3.810 -2.095 -0.231 1.00 0.00 C ATOM 1043 C LEU B 658 4.574 -3.327 0.245 1.00 0.00 C ATOM 1044 O LEU B 658 4.050 -4.441 0.224 1.00 0.00 O ATOM 1045 CB LEU B 658 4.286 -1.694 -1.628 1.00 0.00 C ATOM 1046 CG LEU B 658 3.305 -0.867 -2.460 1.00 0.00 C ATOM 1047 CD1 LEU B 658 4.035 -0.134 -3.574 1.00 0.00 C ATOM 1048 CD2 LEU B 658 2.210 -1.756 -3.031 1.00 0.00 C ATOM 0 H LEU B 658 4.348 -0.132 0.276 1.00 0.00 H new ATOM 0 HA LEU B 658 2.749 -2.341 -0.272 1.00 0.00 H new ATOM 0 HB2 LEU B 658 5.212 -1.128 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU B 658 4.527 -2.601 -2.182 1.00 0.00 H new ATOM 0 HG LEU B 658 2.841 -0.125 -1.810 1.00 0.00 H new ATOM 0 HD11 LEU B 658 3.321 0.449 -4.155 1.00 0.00 H new ATOM 0 HD12 LEU B 658 4.782 0.533 -3.143 1.00 0.00 H new ATOM 0 HD13 LEU B 658 4.527 -0.857 -4.224 1.00 0.00 H new ATOM 0 HD21 LEU B 658 1.521 -1.151 -3.620 1.00 0.00 H new ATOM 0 HD22 LEU B 658 2.657 -2.520 -3.667 1.00 0.00 H new ATOM 0 HD23 LEU B 658 1.667 -2.234 -2.216 1.00 0.00 H new ATOM 1060 N VAL B 659 5.814 -3.118 0.675 1.00 0.00 N ATOM 1061 CA VAL B 659 6.649 -4.211 1.160 1.00 0.00 C ATOM 1062 C VAL B 659 6.050 -4.849 2.408 1.00 0.00 C ATOM 1063 O VAL B 659 6.132 -6.062 2.599 1.00 0.00 O ATOM 1064 CB VAL B 659 8.077 -3.728 1.478 1.00 0.00 C ATOM 1065 CG1 VAL B 659 8.942 -4.889 1.943 1.00 0.00 C ATOM 1066 CG2 VAL B 659 8.691 -3.046 0.265 1.00 0.00 C ATOM 0 H VAL B 659 6.263 -2.202 0.698 1.00 0.00 H new ATOM 0 HA VAL B 659 6.693 -4.953 0.363 1.00 0.00 H new ATOM 0 HB VAL B 659 8.024 -2.999 2.287 1.00 0.00 H new ATOM 0 HG11 VAL B 659 9.947 -4.529 2.163 1.00 0.00 H new ATOM 0 HG12 VAL B 659 8.509 -5.328 2.842 1.00 0.00 H new ATOM 0 HG13 VAL B 659 8.991 -5.644 1.158 1.00 0.00 H new ATOM 0 HG21 VAL B 659 9.700 -2.711 0.508 1.00 0.00 H new ATOM 0 HG22 VAL B 659 8.732 -3.750 -0.566 1.00 0.00 H new ATOM 0 HG23 VAL B 659 8.082 -2.187 -0.017 1.00 0.00 H new ATOM 1076 N VAL B 660 5.445 -4.023 3.256 1.00 0.00 N ATOM 1077 CA VAL B 660 4.830 -4.506 4.486 1.00 0.00 C ATOM 1078 C VAL B 660 3.646 -5.419 4.187 1.00 0.00 C ATOM 1079 O VAL B 660 3.503 -6.484 4.787 1.00 0.00 O ATOM 1080 CB VAL B 660 4.353 -3.339 5.371 1.00 0.00 C ATOM 1081 CG1 VAL B 660 3.566 -3.861 6.564 1.00 0.00 C ATOM 1082 CG2 VAL B 660 5.537 -2.500 5.829 1.00 0.00 C ATOM 0 H VAL B 660 5.368 -3.016 3.113 1.00 0.00 H new ATOM 0 HA VAL B 660 5.594 -5.070 5.021 1.00 0.00 H new ATOM 0 HB VAL B 660 3.693 -2.704 4.780 1.00 0.00 H new ATOM 0 HG11 VAL B 660 3.237 -3.023 7.178 1.00 0.00 H new ATOM 0 HG12 VAL B 660 2.696 -4.416 6.212 1.00 0.00 H new ATOM 0 HG13 VAL B 660 4.200 -4.519 7.158 1.00 0.00 H new ATOM 0 HG21 VAL B 660 5.182 -1.680 6.453 1.00 0.00 H new ATOM 0 HG22 VAL B 660 6.223 -3.122 6.403 1.00 0.00 H new ATOM 0 HG23 VAL B 660 6.055 -2.096 4.959 1.00 0.00 H new ATOM 1092 N ALA B 661 2.800 -4.995 3.254 1.00 0.00 N ATOM 1093 CA ALA B 661 1.630 -5.776 2.872 1.00 0.00 C ATOM 1094 C ALA B 661 2.034 -7.143 2.331 1.00 0.00 C ATOM 1095 O ALA B 661 1.474 -8.168 2.723 1.00 0.00 O ATOM 1096 CB ALA B 661 0.805 -5.020 1.841 1.00 0.00 C ATOM 0 H ALA B 661 2.903 -4.115 2.749 1.00 0.00 H new ATOM 0 HA ALA B 661 1.022 -5.933 3.763 1.00 0.00 H new ATOM 0 HB1 ALA B 661 -0.066 -5.615 1.565 1.00 0.00 H new ATOM 0 HB2 ALA B 661 0.477 -4.070 2.263 1.00 0.00 H new ATOM 0 HB3 ALA B 661 1.412 -4.833 0.955 1.00 0.00 H new ATOM 1102 N LEU B 662 3.009 -7.152 1.429 1.00 0.00 N ATOM 1103 CA LEU B 662 3.488 -8.394 0.832 1.00 0.00 C ATOM 1104 C LEU B 662 3.931 -9.379 1.909 1.00 0.00 C ATOM 1105 O LEU B 662 3.512 -10.536 1.918 1.00 0.00 O ATOM 1106 CB LEU B 662 4.648 -8.110 -0.123 1.00 0.00 C ATOM 1107 CG LEU B 662 4.263 -7.607 -1.515 1.00 0.00 C ATOM 1108 CD1 LEU B 662 5.442 -6.910 -2.176 1.00 0.00 C ATOM 1109 CD2 LEU B 662 3.769 -8.757 -2.380 1.00 0.00 C ATOM 0 H LEU B 662 3.484 -6.313 1.095 1.00 0.00 H new ATOM 0 HA LEU B 662 2.666 -8.840 0.272 1.00 0.00 H new ATOM 0 HB2 LEU B 662 5.302 -7.371 0.341 1.00 0.00 H new ATOM 0 HB3 LEU B 662 5.231 -9.024 -0.237 1.00 0.00 H new ATOM 0 HG LEU B 662 3.454 -6.885 -1.408 1.00 0.00 H new ATOM 0 HD11 LEU B 662 5.149 -6.559 -3.165 1.00 0.00 H new ATOM 0 HD12 LEU B 662 5.751 -6.061 -1.566 1.00 0.00 H new ATOM 0 HD13 LEU B 662 6.272 -7.610 -2.270 1.00 0.00 H new ATOM 0 HD21 LEU B 662 3.500 -8.380 -3.367 1.00 0.00 H new ATOM 0 HD22 LEU B 662 4.558 -9.503 -2.479 1.00 0.00 H new ATOM 0 HD23 LEU B 662 2.895 -9.213 -1.915 1.00 0.00 H new ATOM 1121 N GLY B 663 4.781 -8.912 2.819 1.00 0.00 N ATOM 1122 CA GLY B 663 5.265 -9.764 3.889 1.00 0.00 C ATOM 1123 C GLY B 663 4.140 -10.347 4.720 1.00 0.00 C ATOM 1124 O GLY B 663 4.076 -11.560 4.926 1.00 0.00 O ATOM 0 H GLY B 663 5.143 -7.958 2.834 1.00 0.00 H new ATOM 0 HA2 GLY B 663 5.857 -10.575 3.464 1.00 0.00 H new ATOM 0 HA3 GLY B 663 5.929 -9.189 4.535 1.00 0.00 H new ATOM 1128 N ILE B 664 3.251 -9.483 5.199 1.00 0.00 N ATOM 1129 CA ILE B 664 2.123 -9.921 6.013 1.00 0.00 C ATOM 1130 C ILE B 664 1.271 -10.942 5.267 1.00 0.00 C ATOM 1131 O ILE B 664 0.839 -11.942 5.839 1.00 0.00 O ATOM 1132 CB ILE B 664 1.236 -8.733 6.429 1.00 0.00 C ATOM 1133 CG1 ILE B 664 2.059 -7.697 7.197 1.00 0.00 C ATOM 1134 CG2 ILE B 664 0.064 -9.217 7.270 1.00 0.00 C ATOM 1135 CD1 ILE B 664 1.422 -6.326 7.234 1.00 0.00 C ATOM 0 H ILE B 664 3.290 -8.477 5.038 1.00 0.00 H new ATOM 0 HA ILE B 664 2.539 -10.384 6.908 1.00 0.00 H new ATOM 0 HB ILE B 664 0.842 -8.260 5.529 1.00 0.00 H new ATOM 0 HG12 ILE B 664 2.207 -8.047 8.218 1.00 0.00 H new ATOM 0 HG13 ILE B 664 3.046 -7.618 6.741 1.00 0.00 H new ATOM 0 HG21 ILE B 664 -0.554 -8.366 7.557 1.00 0.00 H new ATOM 0 HG22 ILE B 664 -0.534 -9.921 6.691 1.00 0.00 H new ATOM 0 HG23 ILE B 664 0.439 -9.711 8.166 1.00 0.00 H new ATOM 0 HD11 ILE B 664 2.060 -5.643 7.795 1.00 0.00 H new ATOM 0 HD12 ILE B 664 1.299 -5.955 6.217 1.00 0.00 H new ATOM 0 HD13 ILE B 664 0.447 -6.391 7.717 1.00 0.00 H new ATOM 1147 N GLY B 665 1.034 -10.683 3.984 1.00 0.00 N ATOM 1148 CA GLY B 665 0.235 -11.589 3.180 1.00 0.00 C ATOM 1149 C GLY B 665 0.790 -13.000 3.173 1.00 0.00 C ATOM 1150 O GLY B 665 0.060 -13.963 3.411 1.00 0.00 O ATOM 0 H GLY B 665 1.381 -9.862 3.488 1.00 0.00 H new ATOM 0 HA2 GLY B 665 -0.786 -11.605 3.562 1.00 0.00 H new ATOM 0 HA3 GLY B 665 0.187 -11.216 2.157 1.00 0.00 H new ATOM 1154 N LEU B 666 2.083 -13.124 2.899 1.00 0.00 N ATOM 1155 CA LEU B 666 2.736 -14.429 2.860 1.00 0.00 C ATOM 1156 C LEU B 666 2.812 -15.041 4.256 1.00 0.00 C ATOM 1157 O LEU B 666 2.720 -16.258 4.417 1.00 0.00 O ATOM 1158 CB LEU B 666 4.141 -14.301 2.269 1.00 0.00 C ATOM 1159 CG LEU B 666 4.239 -13.584 0.922 1.00 0.00 C ATOM 1160 CD1 LEU B 666 5.637 -13.732 0.340 1.00 0.00 C ATOM 1161 CD2 LEU B 666 3.196 -14.123 -0.046 1.00 0.00 C ATOM 0 H LEU B 666 2.701 -12.337 2.700 1.00 0.00 H new ATOM 0 HA LEU B 666 2.141 -15.087 2.226 1.00 0.00 H new ATOM 0 HB2 LEU B 666 4.768 -13.772 2.986 1.00 0.00 H new ATOM 0 HB3 LEU B 666 4.559 -15.301 2.157 1.00 0.00 H new ATOM 0 HG LEU B 666 4.044 -12.523 1.081 1.00 0.00 H new ATOM 0 HD11 LEU B 666 5.689 -13.216 -0.619 1.00 0.00 H new ATOM 0 HD12 LEU B 666 6.364 -13.298 1.026 1.00 0.00 H new ATOM 0 HD13 LEU B 666 5.861 -14.789 0.195 1.00 0.00 H new ATOM 0 HD21 LEU B 666 3.280 -13.601 -0.999 1.00 0.00 H new ATOM 0 HD22 LEU B 666 3.360 -15.190 -0.200 1.00 0.00 H new ATOM 0 HD23 LEU B 666 2.200 -13.965 0.367 1.00 0.00 H new ATOM 1173 N PHE B 667 2.980 -14.188 5.261 1.00 0.00 N ATOM 1174 CA PHE B 667 3.067 -14.645 6.643 1.00 0.00 C ATOM 1175 C PHE B 667 1.738 -15.233 7.107 1.00 0.00 C ATOM 1176 O PHE B 667 1.689 -16.344 7.634 1.00 0.00 O ATOM 1177 CB PHE B 667 3.474 -13.489 7.560 1.00 0.00 C ATOM 1178 CG PHE B 667 3.306 -13.795 9.021 1.00 0.00 C ATOM 1179 CD1 PHE B 667 2.108 -13.531 9.664 1.00 0.00 C ATOM 1180 CD2 PHE B 667 4.347 -14.346 9.750 1.00 0.00 C ATOM 1181 CE1 PHE B 667 1.952 -13.811 11.009 1.00 0.00 C ATOM 1182 CE2 PHE B 667 4.197 -14.628 11.095 1.00 0.00 C ATOM 1183 CZ PHE B 667 2.997 -14.361 11.725 1.00 0.00 C ATOM 0 H PHE B 667 3.059 -13.178 5.145 1.00 0.00 H new ATOM 0 HA PHE B 667 3.826 -15.425 6.694 1.00 0.00 H new ATOM 0 HB2 PHE B 667 4.516 -13.233 7.368 1.00 0.00 H new ATOM 0 HB3 PHE B 667 2.879 -12.611 7.310 1.00 0.00 H new ATOM 0 HD1 PHE B 667 1.287 -13.102 9.109 1.00 0.00 H new ATOM 0 HD2 PHE B 667 5.287 -14.558 9.262 1.00 0.00 H new ATOM 0 HE1 PHE B 667 1.013 -13.600 11.499 1.00 0.00 H new ATOM 0 HE2 PHE B 667 5.017 -15.056 11.652 1.00 0.00 H new ATOM 0 HZ PHE B 667 2.876 -14.582 12.775 1.00 0.00 H new ATOM 1193 N MET B 668 0.662 -14.479 6.908 1.00 0.00 N ATOM 1194 CA MET B 668 -0.668 -14.925 7.305 1.00 0.00 C ATOM 1195 C MET B 668 -1.048 -16.213 6.580 1.00 0.00 C ATOM 1196 O MET B 668 -1.676 -17.099 7.159 1.00 0.00 O ATOM 1197 CB MET B 668 -1.703 -13.837 7.013 1.00 0.00 C ATOM 1198 CG MET B 668 -1.539 -12.595 7.874 1.00 0.00 C ATOM 1199 SD MET B 668 -2.684 -11.279 7.421 1.00 0.00 S ATOM 1200 CE MET B 668 -2.241 -11.021 5.705 1.00 0.00 C ATOM 0 H MET B 668 0.685 -13.556 6.474 1.00 0.00 H new ATOM 0 HA MET B 668 -0.653 -15.123 8.377 1.00 0.00 H new ATOM 0 HB2 MET B 668 -1.633 -13.553 5.963 1.00 0.00 H new ATOM 0 HB3 MET B 668 -2.701 -14.246 7.167 1.00 0.00 H new ATOM 0 HG2 MET B 668 -1.692 -12.860 8.920 1.00 0.00 H new ATOM 0 HG3 MET B 668 -0.516 -12.228 7.785 1.00 0.00 H new ATOM 0 HE1 MET B 668 -2.061 -9.960 5.531 1.00 0.00 H new ATOM 0 HE2 MET B 668 -1.338 -11.585 5.474 1.00 0.00 H new ATOM 0 HE3 MET B 668 -3.055 -11.360 5.064 1.00 0.00 H new ATOM 1210 N ARG B 669 -0.664 -16.308 5.311 1.00 0.00 N ATOM 1211 CA ARG B 669 -0.967 -17.486 4.508 1.00 0.00 C ATOM 1212 C ARG B 669 -0.380 -18.743 5.144 1.00 0.00 C ATOM 1213 O ARG B 669 -0.981 -19.816 5.090 1.00 0.00 O ATOM 1214 CB ARG B 669 -0.419 -17.316 3.089 1.00 0.00 C ATOM 1215 CG ARG B 669 -1.306 -16.468 2.192 1.00 0.00 C ATOM 1216 CD ARG B 669 -1.634 -17.188 0.893 1.00 0.00 C ATOM 1217 NE ARG B 669 -0.430 -17.598 0.175 1.00 0.00 N ATOM 1218 CZ ARG B 669 -0.431 -18.487 -0.812 1.00 0.00 C ATOM 1219 NH1 ARG B 669 -1.565 -19.055 -1.197 1.00 0.00 N ATOM 1220 NH2 ARG B 669 0.706 -18.808 -1.417 1.00 0.00 N ATOM 0 H ARG B 669 -0.143 -15.583 4.817 1.00 0.00 H new ATOM 0 HA ARG B 669 -2.051 -17.595 4.462 1.00 0.00 H new ATOM 0 HB2 ARG B 669 0.570 -16.861 3.143 1.00 0.00 H new ATOM 0 HB3 ARG B 669 -0.293 -18.300 2.637 1.00 0.00 H new ATOM 0 HG2 ARG B 669 -2.229 -16.224 2.717 1.00 0.00 H new ATOM 0 HG3 ARG B 669 -0.806 -15.525 1.971 1.00 0.00 H new ATOM 0 HD2 ARG B 669 -2.244 -18.065 1.109 1.00 0.00 H new ATOM 0 HD3 ARG B 669 -2.230 -16.534 0.257 1.00 0.00 H new ATOM 0 HE ARG B 669 0.460 -17.179 0.446 1.00 0.00 H new ATOM 0 HH11 ARG B 669 -2.441 -18.810 -0.735 1.00 0.00 H new ATOM 0 HH12 ARG B 669 -1.562 -19.737 -1.955 1.00 0.00 H new ATOM 0 HH21 ARG B 669 1.580 -18.372 -1.124 1.00 0.00 H new ATOM 0 HH22 ARG B 669 0.705 -19.491 -2.175 1.00 0.00 H new ATOM 1234 N ARG B 670 0.797 -18.602 5.745 1.00 0.00 N ATOM 1235 CA ARG B 670 1.465 -19.726 6.389 1.00 0.00 C ATOM 1236 C ARG B 670 1.609 -20.899 5.424 1.00 0.00 C ATOM 1237 O ARG B 670 1.447 -22.056 5.810 1.00 0.00 O ATOM 1238 CB ARG B 670 0.687 -20.166 7.631 1.00 0.00 C ATOM 1239 CG ARG B 670 1.571 -20.465 8.830 1.00 0.00 C ATOM 1240 CD ARG B 670 0.857 -20.165 10.138 1.00 0.00 C ATOM 1241 NE ARG B 670 1.318 -18.916 10.740 1.00 0.00 N ATOM 1242 CZ ARG B 670 2.488 -18.785 11.354 1.00 0.00 C ATOM 1243 NH1 ARG B 670 3.312 -19.820 11.447 1.00 0.00 N ATOM 1244 NH2 ARG B 670 2.837 -17.616 11.876 1.00 0.00 N ATOM 0 H ARG B 670 1.307 -17.721 5.799 1.00 0.00 H new ATOM 0 HA ARG B 670 2.461 -19.400 6.689 1.00 0.00 H new ATOM 0 HB2 ARG B 670 -0.023 -19.384 7.900 1.00 0.00 H new ATOM 0 HB3 ARG B 670 0.105 -21.055 7.389 1.00 0.00 H new ATOM 0 HG2 ARG B 670 1.871 -21.513 8.810 1.00 0.00 H new ATOM 0 HG3 ARG B 670 2.483 -19.871 8.768 1.00 0.00 H new ATOM 0 HD2 ARG B 670 -0.217 -20.107 9.960 1.00 0.00 H new ATOM 0 HD3 ARG B 670 1.020 -20.986 10.836 1.00 0.00 H new ATOM 0 HE ARG B 670 0.708 -18.100 10.686 1.00 0.00 H new ATOM 0 HH11 ARG B 670 3.048 -20.720 11.046 1.00 0.00 H new ATOM 0 HH12 ARG B 670 4.210 -19.716 11.919 1.00 0.00 H new ATOM 0 HH21 ARG B 670 2.206 -16.817 11.806 1.00 0.00 H new ATOM 0 HH22 ARG B 670 3.736 -17.516 12.348 1.00 0.00 H new ATOM 1258 N ARG B 671 1.915 -20.590 4.168 1.00 0.00 N ATOM 1259 CA ARG B 671 2.079 -21.619 3.147 1.00 0.00 C ATOM 1260 C ARG B 671 3.466 -21.542 2.517 1.00 0.00 C ATOM 1261 O ARG B 671 3.878 -20.491 2.023 1.00 0.00 O ATOM 1262 CB ARG B 671 1.006 -21.470 2.067 1.00 0.00 C ATOM 1263 CG ARG B 671 -0.379 -21.901 2.520 1.00 0.00 C ATOM 1264 CD ARG B 671 -0.399 -23.362 2.940 1.00 0.00 C ATOM 1265 NE ARG B 671 -1.397 -24.131 2.200 1.00 0.00 N ATOM 1266 CZ ARG B 671 -1.199 -24.607 0.976 1.00 0.00 C ATOM 1267 NH1 ARG B 671 -0.045 -24.395 0.358 1.00 0.00 N ATOM 1268 NH2 ARG B 671 -2.155 -25.297 0.369 1.00 0.00 N ATOM 0 H ARG B 671 2.054 -19.637 3.833 1.00 0.00 H new ATOM 0 HA ARG B 671 1.970 -22.592 3.625 1.00 0.00 H new ATOM 0 HB2 ARG B 671 0.967 -20.429 1.747 1.00 0.00 H new ATOM 0 HB3 ARG B 671 1.294 -22.060 1.197 1.00 0.00 H new ATOM 0 HG2 ARG B 671 -0.700 -21.277 3.354 1.00 0.00 H new ATOM 0 HG3 ARG B 671 -1.093 -21.744 1.711 1.00 0.00 H new ATOM 0 HD2 ARG B 671 0.587 -23.799 2.780 1.00 0.00 H new ATOM 0 HD3 ARG B 671 -0.608 -23.429 4.008 1.00 0.00 H new ATOM 0 HE ARG B 671 -2.295 -24.312 2.648 1.00 0.00 H new ATOM 0 HH11 ARG B 671 0.693 -23.866 0.823 1.00 0.00 H new ATOM 0 HH12 ARG B 671 0.105 -24.761 -0.582 1.00 0.00 H new ATOM 0 HH21 ARG B 671 -3.043 -25.463 0.842 1.00 0.00 H new ATOM 0 HH22 ARG B 671 -2.002 -25.662 -0.571 1.00 0.00 H new ATOM 1282 N HIS B 672 4.183 -22.661 2.537 1.00 0.00 N ATOM 1283 CA HIS B 672 5.524 -22.721 1.967 1.00 0.00 C ATOM 1284 C HIS B 672 5.788 -24.087 1.340 1.00 0.00 C ATOM 1285 O HIS B 672 5.020 -25.029 1.537 1.00 0.00 O ATOM 1286 CB HIS B 672 6.571 -22.430 3.043 1.00 0.00 C ATOM 1287 CG HIS B 672 6.254 -21.228 3.878 1.00 0.00 C ATOM 1288 ND1 HIS B 672 5.395 -21.071 4.913 1.00 0.00 N flip ATOM 1289 CD2 HIS B 672 6.850 -20.000 3.687 1.00 0.00 C flip ATOM 1290 CE1 HIS B 672 5.488 -19.765 5.325 1.00 0.00 C flip ATOM 1291 NE2 HIS B 672 6.373 -19.139 4.569 1.00 0.00 N flip ATOM 0 H HIS B 672 3.858 -23.539 2.942 1.00 0.00 H new ATOM 0 HA HIS B 672 5.595 -21.963 1.187 1.00 0.00 H new ATOM 0 HB2 HIS B 672 6.663 -23.300 3.693 1.00 0.00 H new ATOM 0 HB3 HIS B 672 7.540 -22.285 2.566 1.00 0.00 H new ATOM 0 HD2 HIS B 672 7.591 -19.776 2.934 1.00 0.00 H new ATOM 0 HE1 HIS B 672 4.929 -19.321 6.135 1.00 0.00 H new ATOM 0 HE2 HIS B 672 6.642 -18.159 4.652 1.00 0.00 H new ATOM 1299 N ILE B 673 6.876 -24.185 0.585 1.00 0.00 N ATOM 1300 CA ILE B 673 7.240 -25.435 -0.070 1.00 0.00 C ATOM 1301 C ILE B 673 7.654 -26.490 0.950 1.00 0.00 C ATOM 1302 O ILE B 673 7.776 -27.671 0.623 1.00 0.00 O ATOM 1303 CB ILE B 673 8.389 -25.230 -1.076 1.00 0.00 C ATOM 1304 CG1 ILE B 673 9.631 -24.694 -0.361 1.00 0.00 C ATOM 1305 CG2 ILE B 673 7.959 -24.283 -2.186 1.00 0.00 C ATOM 1306 CD1 ILE B 673 10.588 -25.778 0.084 1.00 0.00 C ATOM 0 H ILE B 673 7.521 -23.414 0.411 1.00 0.00 H new ATOM 0 HA ILE B 673 6.356 -25.779 -0.606 1.00 0.00 H new ATOM 0 HB ILE B 673 8.637 -26.192 -1.523 1.00 0.00 H new ATOM 0 HG12 ILE B 673 10.156 -24.008 -1.026 1.00 0.00 H new ATOM 0 HG13 ILE B 673 9.318 -24.117 0.509 1.00 0.00 H new ATOM 0 HG21 ILE B 673 8.782 -24.148 -2.888 1.00 0.00 H new ATOM 0 HG22 ILE B 673 7.100 -24.702 -2.709 1.00 0.00 H new ATOM 0 HG23 ILE B 673 7.687 -23.319 -1.757 1.00 0.00 H new ATOM 0 HD11 ILE B 673 11.445 -25.325 0.583 1.00 0.00 H new ATOM 0 HD12 ILE B 673 10.080 -26.451 0.775 1.00 0.00 H new ATOM 0 HD13 ILE B 673 10.930 -26.340 -0.785 1.00 0.00 H new ATOM 1318 N VAL B 674 7.868 -26.056 2.188 1.00 0.00 N ATOM 1319 CA VAL B 674 8.266 -26.964 3.258 1.00 0.00 C ATOM 1320 C VAL B 674 7.326 -28.161 3.340 1.00 0.00 C ATOM 1321 O VAL B 674 7.731 -29.255 3.734 1.00 0.00 O ATOM 1322 CB VAL B 674 8.289 -26.248 4.621 1.00 0.00 C ATOM 1323 CG1 VAL B 674 8.795 -27.184 5.708 1.00 0.00 C ATOM 1324 CG2 VAL B 674 9.143 -24.991 4.548 1.00 0.00 C ATOM 0 H VAL B 674 7.773 -25.082 2.475 1.00 0.00 H new ATOM 0 HA VAL B 674 9.272 -27.311 3.022 1.00 0.00 H new ATOM 0 HB VAL B 674 7.271 -25.954 4.874 1.00 0.00 H new ATOM 0 HG11 VAL B 674 8.804 -26.660 6.664 1.00 0.00 H new ATOM 0 HG12 VAL B 674 8.138 -28.051 5.776 1.00 0.00 H new ATOM 0 HG13 VAL B 674 9.806 -27.512 5.464 1.00 0.00 H new ATOM 0 HG21 VAL B 674 9.148 -24.498 5.520 1.00 0.00 H new ATOM 0 HG22 VAL B 674 10.163 -25.259 4.272 1.00 0.00 H new ATOM 0 HG23 VAL B 674 8.731 -24.314 3.800 1.00 0.00 H new ATOM 1334 N ARG B 675 6.069 -27.947 2.966 1.00 0.00 N ATOM 1335 CA ARG B 675 5.071 -29.009 2.999 1.00 0.00 C ATOM 1336 C ARG B 675 5.569 -30.247 2.259 1.00 0.00 C ATOM 1337 O ARG B 675 6.148 -30.146 1.177 1.00 0.00 O ATOM 1338 CB ARG B 675 3.759 -28.524 2.378 1.00 0.00 C ATOM 1339 CG ARG B 675 2.527 -29.215 2.939 1.00 0.00 C ATOM 1340 CD ARG B 675 2.211 -30.494 2.179 1.00 0.00 C ATOM 1341 NE ARG B 675 1.363 -30.244 1.016 1.00 0.00 N ATOM 1342 CZ ARG B 675 0.085 -29.893 1.101 1.00 0.00 C ATOM 1343 NH1 ARG B 675 -0.490 -29.750 2.287 1.00 0.00 N ATOM 1344 NH2 ARG B 675 -0.621 -29.683 -0.003 1.00 0.00 N ATOM 0 H ARG B 675 5.718 -27.048 2.637 1.00 0.00 H new ATOM 0 HA ARG B 675 4.896 -29.276 4.041 1.00 0.00 H new ATOM 0 HB2 ARG B 675 3.667 -27.450 2.538 1.00 0.00 H new ATOM 0 HB3 ARG B 675 3.796 -28.684 1.300 1.00 0.00 H new ATOM 0 HG2 ARG B 675 2.686 -29.446 3.992 1.00 0.00 H new ATOM 0 HG3 ARG B 675 1.674 -28.539 2.886 1.00 0.00 H new ATOM 0 HD2 ARG B 675 3.140 -30.963 1.856 1.00 0.00 H new ATOM 0 HD3 ARG B 675 1.714 -31.198 2.846 1.00 0.00 H new ATOM 0 HE ARG B 675 1.775 -30.344 0.088 1.00 0.00 H new ATOM 0 HH11 ARG B 675 0.049 -29.910 3.138 1.00 0.00 H new ATOM 0 HH12 ARG B 675 -1.472 -29.480 2.349 1.00 0.00 H new ATOM 0 HH21 ARG B 675 -0.182 -29.791 -0.917 1.00 0.00 H new ATOM 0 HH22 ARG B 675 -1.603 -29.413 0.063 1.00 0.00 H new ATOM 1358 N LYS B 676 5.341 -31.415 2.850 1.00 0.00 N ATOM 1359 CA LYS B 676 5.765 -32.673 2.248 1.00 0.00 C ATOM 1360 C LYS B 676 4.621 -33.682 2.233 1.00 0.00 C ATOM 1361 O LYS B 676 3.896 -33.827 3.217 1.00 0.00 O ATOM 1362 CB LYS B 676 6.959 -33.251 3.013 1.00 0.00 C ATOM 1363 CG LYS B 676 7.783 -34.234 2.200 1.00 0.00 C ATOM 1364 CD LYS B 676 8.813 -34.944 3.062 1.00 0.00 C ATOM 1365 CE LYS B 676 8.166 -35.992 3.955 1.00 0.00 C ATOM 1366 NZ LYS B 676 7.761 -37.201 3.187 1.00 0.00 N ATOM 0 H LYS B 676 4.864 -31.516 3.746 1.00 0.00 H new ATOM 0 HA LYS B 676 6.063 -32.473 1.219 1.00 0.00 H new ATOM 0 HB2 LYS B 676 7.602 -32.433 3.339 1.00 0.00 H new ATOM 0 HB3 LYS B 676 6.597 -33.749 3.912 1.00 0.00 H new ATOM 0 HG2 LYS B 676 7.123 -34.969 1.739 1.00 0.00 H new ATOM 0 HG3 LYS B 676 8.287 -33.706 1.390 1.00 0.00 H new ATOM 0 HD2 LYS B 676 9.558 -35.418 2.424 1.00 0.00 H new ATOM 0 HD3 LYS B 676 9.339 -34.214 3.678 1.00 0.00 H new ATOM 0 HE2 LYS B 676 8.863 -36.279 4.742 1.00 0.00 H new ATOM 0 HE3 LYS B 676 7.292 -35.563 4.444 1.00 0.00 H new ATOM 0 HZ1 LYS B 676 7.482 -37.954 3.847 1.00 0.00 H new ATOM 0 HZ2 LYS B 676 6.958 -36.967 2.570 1.00 0.00 H new ATOM 0 HZ3 LYS B 676 8.560 -37.527 2.607 1.00 0.00 H new ATOM 1380 N ARG B 677 4.466 -34.377 1.110 1.00 0.00 N ATOM 1381 CA ARG B 677 3.411 -35.372 0.968 1.00 0.00 C ATOM 1382 C ARG B 677 3.999 -36.774 0.836 1.00 0.00 C ATOM 1383 O ARG B 677 4.713 -37.070 -0.122 1.00 0.00 O ATOM 1384 CB ARG B 677 2.543 -35.055 -0.252 1.00 0.00 C ATOM 1385 CG ARG B 677 1.108 -35.538 -0.120 1.00 0.00 C ATOM 1386 CD ARG B 677 0.297 -34.632 0.793 1.00 0.00 C ATOM 1387 NE ARG B 677 -1.050 -35.149 1.021 1.00 0.00 N ATOM 1388 CZ ARG B 677 -1.815 -34.781 2.043 1.00 0.00 C ATOM 1389 NH1 ARG B 677 -1.369 -33.897 2.925 1.00 0.00 N ATOM 1390 NH2 ARG B 677 -3.030 -35.296 2.183 1.00 0.00 N ATOM 0 H ARG B 677 5.058 -34.269 0.286 1.00 0.00 H new ATOM 0 HA ARG B 677 2.792 -35.339 1.865 1.00 0.00 H new ATOM 0 HB2 ARG B 677 2.541 -33.977 -0.416 1.00 0.00 H new ATOM 0 HB3 ARG B 677 2.991 -35.511 -1.135 1.00 0.00 H new ATOM 0 HG2 ARG B 677 0.643 -35.574 -1.105 1.00 0.00 H new ATOM 0 HG3 ARG B 677 1.100 -36.554 0.274 1.00 0.00 H new ATOM 0 HD2 ARG B 677 0.811 -34.526 1.748 1.00 0.00 H new ATOM 0 HD3 ARG B 677 0.234 -33.637 0.353 1.00 0.00 H new ATOM 0 HE ARG B 677 -1.424 -35.830 0.360 1.00 0.00 H new ATOM 0 HH11 ARG B 677 -0.436 -33.498 2.820 1.00 0.00 H new ATOM 0 HH12 ARG B 677 -1.959 -33.616 3.709 1.00 0.00 H new ATOM 0 HH21 ARG B 677 -3.377 -35.975 1.506 1.00 0.00 H new ATOM 0 HH22 ARG B 677 -3.617 -35.013 2.968 1.00 0.00 H new TER 1404 ARG B 677