USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 662 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 Single : A 637 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 640 THR OG1 : rot 180:sc= 0 USER MOD Single : A 641 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-2.3!) USER MOD Single : A 643 THR OG1 : rot 85:sc= 0.348 USER MOD Single : A 644 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 647 THR OG1 : rot 71:sc= 0.549 USER MOD Single : A 657 MET CE :methyl -127:sc= -0.0187 (180deg=-2.2!) USER MOD Single : A 658 MET CE :methyl -148:sc= -1.68 (180deg=-3.66!) USER MOD Single : A 662 THR OG1 : rot 79:sc= 1.18 USER MOD Single : A 665 TYR OH : rot 180:sc= 0.0958 USER MOD Single : A 671 HIS : no HD1:sc= -0.0629 X(o=-0.063,f=-0.34) USER MOD Single : A 672 HIS : no HD1:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 673 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.43) USER MOD Single : A 674 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.055) USER MOD Single : A 675 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 676 HIS : no HD1:sc= -0.122 X(o=-0.12,f=-0.036) USER MOD Single : B 637 MET CE :methyl 166:sc= 0 (180deg=-0.0968) USER MOD Single : B 640 THR OG1 : rot 180:sc= 0 USER MOD Single : B 641 HIS : no HD1:sc= -0.38 K(o=-0.38,f=-1.4) USER MOD Single : B 643 THR OG1 : rot 87:sc= 0.371 USER MOD Single : B 644 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 647 THR OG1 : rot 68:sc= 0.478 USER MOD Single : B 657 MET CE :methyl -127:sc= -0.0135 (180deg=-2.26!) USER MOD Single : B 658 MET CE :methyl -148:sc= -1.68 (180deg=-3.64!) USER MOD Single : B 662 THR OG1 : rot 81:sc= 1.13 USER MOD Single : B 665 TYR OH : rot 180:sc= 0 USER MOD Single : B 671 HIS : no HD1:sc= -0.0408 X(o=-0.041,f=-0.041) USER MOD Single : B 672 HIS : no HD1:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : B 673 HIS : no HD1:sc= -0.04 X(o=-0.04,f=0) USER MOD Single : B 674 HIS : no HD1:sc= -0.0489 X(o=-0.049,f=-0.53) USER MOD Single : B 675 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.18) USER MOD Single : B 676 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 637 3.119 30.795 8.609 1.00 72.24 N ATOM 2 CA MET A 637 1.772 30.601 9.131 1.00 52.40 C ATOM 3 C MET A 637 1.342 29.143 9.001 1.00 72.44 C ATOM 4 O MET A 637 0.170 28.849 8.774 1.00 65.15 O ATOM 5 CB MET A 637 0.781 31.503 8.394 1.00 21.44 C ATOM 6 CG MET A 637 1.271 32.932 8.224 1.00 71.45 C ATOM 7 SD MET A 637 0.086 33.974 7.351 1.00 13.14 S ATOM 8 CE MET A 637 -0.559 34.957 8.702 1.00 13.44 C ATOM 0 HA MET A 637 1.779 30.867 10.188 1.00 52.40 H new ATOM 0 HB2 MET A 637 0.577 31.078 7.411 1.00 21.44 H new ATOM 0 HB3 MET A 637 -0.163 31.514 8.939 1.00 21.44 H new ATOM 0 HG2 MET A 637 1.473 33.362 9.205 1.00 71.45 H new ATOM 0 HG3 MET A 637 2.215 32.926 7.678 1.00 71.45 H new ATOM 0 HE1 MET A 637 -1.306 35.653 8.321 1.00 13.44 H new ATOM 0 HE2 MET A 637 -1.017 34.301 9.442 1.00 13.44 H new ATOM 0 HE3 MET A 637 0.254 35.516 9.166 1.00 13.44 H new ATOM 18 N GLY A 638 2.302 28.233 9.146 1.00 52.11 N ATOM 19 CA GLY A 638 2.003 26.816 9.041 1.00 23.11 C ATOM 20 C GLY A 638 2.982 26.082 8.147 1.00 1.03 C ATOM 21 O GLY A 638 2.623 25.634 7.058 1.00 13.10 O ATOM 0 H GLY A 638 3.280 28.452 9.334 1.00 52.11 H new ATOM 0 HA2 GLY A 638 2.019 26.370 10.035 1.00 23.11 H new ATOM 0 HA3 GLY A 638 0.993 26.689 8.651 1.00 23.11 H new ATOM 25 N ARG A 639 4.222 25.959 8.607 1.00 73.01 N ATOM 26 CA ARG A 639 5.258 25.276 7.839 1.00 13.31 C ATOM 27 C ARG A 639 5.750 24.033 8.576 1.00 4.42 C ATOM 28 O ARG A 639 6.323 23.126 7.972 1.00 31.22 O ATOM 29 CB ARG A 639 6.430 26.221 7.572 1.00 63.24 C ATOM 30 CG ARG A 639 7.501 26.183 8.649 1.00 14.11 C ATOM 31 CD ARG A 639 8.261 27.498 8.725 1.00 72.34 C ATOM 32 NE ARG A 639 8.854 27.714 10.043 1.00 51.33 N ATOM 33 CZ ARG A 639 9.940 27.082 10.472 1.00 71.45 C ATOM 34 NH1 ARG A 639 10.552 26.201 9.692 1.00 2.23 N ATOM 35 NH2 ARG A 639 10.419 27.332 11.684 1.00 34.04 N ATOM 0 H ARG A 639 4.535 26.323 9.507 1.00 73.01 H new ATOM 0 HA ARG A 639 4.826 24.966 6.887 1.00 13.31 H new ATOM 0 HB2 ARG A 639 6.881 25.964 6.614 1.00 63.24 H new ATOM 0 HB3 ARG A 639 6.052 27.239 7.484 1.00 63.24 H new ATOM 0 HG2 ARG A 639 7.041 25.971 9.614 1.00 14.11 H new ATOM 0 HG3 ARG A 639 8.197 25.370 8.443 1.00 14.11 H new ATOM 0 HD2 ARG A 639 9.046 27.507 7.969 1.00 72.34 H new ATOM 0 HD3 ARG A 639 7.585 28.321 8.493 1.00 72.34 H new ATOM 0 HE ARG A 639 8.409 28.387 10.667 1.00 51.33 H new ATOM 0 HH11 ARG A 639 10.189 26.007 8.759 1.00 2.23 H new ATOM 0 HH12 ARG A 639 11.386 25.718 10.025 1.00 2.23 H new ATOM 0 HH21 ARG A 639 9.953 28.010 12.287 1.00 34.04 H new ATOM 0 HH22 ARG A 639 11.253 26.846 12.013 1.00 34.04 H new ATOM 49 N THR A 640 5.522 23.999 9.885 1.00 51.33 N ATOM 50 CA THR A 640 5.942 22.869 10.705 1.00 63.22 C ATOM 51 C THR A 640 5.006 21.680 10.526 1.00 4.21 C ATOM 52 O THR A 640 5.426 20.525 10.613 1.00 25.13 O ATOM 53 CB THR A 640 5.996 23.245 12.197 1.00 4.25 C ATOM 54 OG1 THR A 640 6.918 24.323 12.398 1.00 13.52 O ATOM 55 CG2 THR A 640 6.410 22.052 13.043 1.00 51.53 C ATOM 0 H THR A 640 5.049 24.741 10.400 1.00 51.33 H new ATOM 0 HA THR A 640 6.942 22.593 10.371 1.00 63.22 H new ATOM 0 HB THR A 640 4.999 23.558 12.505 1.00 4.25 H new ATOM 0 HG1 THR A 640 6.945 24.557 13.349 1.00 13.52 H new ATOM 0 HG21 THR A 640 6.441 22.344 14.093 1.00 51.53 H new ATOM 0 HG22 THR A 640 5.689 21.245 12.911 1.00 51.53 H new ATOM 0 HG23 THR A 640 7.397 21.711 12.732 1.00 51.53 H new ATOM 63 N HIS A 641 3.732 21.968 10.273 1.00 34.33 N ATOM 64 CA HIS A 641 2.735 20.922 10.081 1.00 44.44 C ATOM 65 C HIS A 641 3.056 20.086 8.845 1.00 73.25 C ATOM 66 O HIS A 641 2.492 19.009 8.647 1.00 73.31 O ATOM 67 CB HIS A 641 1.340 21.535 9.947 1.00 22.42 C ATOM 68 CG HIS A 641 1.090 22.169 8.614 1.00 62.30 C ATOM 69 ND1 HIS A 641 0.764 21.446 7.486 1.00 4.53 N ATOM 70 CD2 HIS A 641 1.119 23.468 8.231 1.00 44.14 C ATOM 71 CE1 HIS A 641 0.604 22.271 6.467 1.00 21.42 C ATOM 72 NE2 HIS A 641 0.813 23.505 6.893 1.00 62.34 N ATOM 0 H HIS A 641 3.367 22.917 10.196 1.00 34.33 H new ATOM 0 HA HIS A 641 2.755 20.271 10.955 1.00 44.44 H new ATOM 0 HB2 HIS A 641 0.593 20.759 10.117 1.00 22.42 H new ATOM 0 HB3 HIS A 641 1.205 22.284 10.727 1.00 22.42 H new ATOM 0 HD2 HIS A 641 1.341 24.317 8.861 1.00 44.14 H new ATOM 0 HE1 HIS A 641 0.346 21.986 5.458 1.00 21.42 H new ATOM 0 HE2 HIS A 641 0.756 24.347 6.321 1.00 62.34 H new ATOM 80 N LEU A 642 3.965 20.589 8.017 1.00 75.34 N ATOM 81 CA LEU A 642 4.361 19.889 6.801 1.00 22.50 C ATOM 82 C LEU A 642 5.165 18.635 7.130 1.00 31.51 C ATOM 83 O LEU A 642 5.097 17.634 6.416 1.00 43.24 O ATOM 84 CB LEU A 642 5.184 20.813 5.902 1.00 31.41 C ATOM 85 CG LEU A 642 4.388 21.776 5.020 1.00 32.41 C ATOM 86 CD1 LEU A 642 5.222 23.000 4.678 1.00 22.34 C ATOM 87 CD2 LEU A 642 3.920 21.076 3.753 1.00 12.42 C ATOM 0 H LEU A 642 4.441 21.479 8.166 1.00 75.34 H new ATOM 0 HA LEU A 642 3.455 19.590 6.274 1.00 22.50 H new ATOM 0 HB2 LEU A 642 5.853 21.398 6.532 1.00 31.41 H new ATOM 0 HB3 LEU A 642 5.811 20.196 5.258 1.00 31.41 H new ATOM 0 HG LEU A 642 3.509 22.104 5.575 1.00 32.41 H new ATOM 0 HD11 LEU A 642 4.639 23.674 4.050 1.00 22.34 H new ATOM 0 HD12 LEU A 642 5.506 23.515 5.596 1.00 22.34 H new ATOM 0 HD13 LEU A 642 6.120 22.691 4.143 1.00 22.34 H new ATOM 0 HD21 LEU A 642 3.355 21.776 3.138 1.00 12.42 H new ATOM 0 HD22 LEU A 642 4.785 20.718 3.195 1.00 12.42 H new ATOM 0 HD23 LEU A 642 3.284 20.231 4.018 1.00 12.42 H new ATOM 99 N THR A 643 5.925 18.695 8.220 1.00 63.13 N ATOM 100 CA THR A 643 6.741 17.565 8.645 1.00 60.01 C ATOM 101 C THR A 643 5.878 16.341 8.933 1.00 64.33 C ATOM 102 O THR A 643 6.110 15.264 8.384 1.00 33.00 O ATOM 103 CB THR A 643 7.561 17.907 9.904 1.00 62.44 C ATOM 104 OG1 THR A 643 8.035 19.256 9.828 1.00 50.24 O ATOM 105 CG2 THR A 643 8.741 16.957 10.054 1.00 34.13 C ATOM 0 H THR A 643 5.992 19.514 8.824 1.00 63.13 H new ATOM 0 HA THR A 643 7.423 17.341 7.825 1.00 60.01 H new ATOM 0 HB THR A 643 6.914 17.799 10.774 1.00 62.44 H new ATOM 0 HG1 THR A 643 7.344 19.865 10.163 1.00 50.24 H new ATOM 0 HG21 THR A 643 9.306 17.217 10.949 1.00 34.13 H new ATOM 0 HG22 THR A 643 8.376 15.934 10.140 1.00 34.13 H new ATOM 0 HG23 THR A 643 9.388 17.039 9.180 1.00 34.13 H new ATOM 113 N MET A 644 4.881 16.515 9.794 1.00 53.04 N ATOM 114 CA MET A 644 3.982 15.423 10.152 1.00 23.43 C ATOM 115 C MET A 644 3.188 14.954 8.938 1.00 1.23 C ATOM 116 O MET A 644 3.119 13.758 8.653 1.00 33.33 O ATOM 117 CB MET A 644 3.027 15.865 11.262 1.00 51.12 C ATOM 118 CG MET A 644 3.716 16.112 12.594 1.00 10.14 C ATOM 119 SD MET A 644 3.830 14.622 13.604 1.00 22.42 S ATOM 120 CE MET A 644 2.184 14.563 14.307 1.00 62.44 C ATOM 0 H MET A 644 4.675 17.400 10.257 1.00 53.04 H new ATOM 0 HA MET A 644 4.586 14.590 10.513 1.00 23.43 H new ATOM 0 HB2 MET A 644 2.519 16.777 10.951 1.00 51.12 H new ATOM 0 HB3 MET A 644 2.260 15.102 11.395 1.00 51.12 H new ATOM 0 HG2 MET A 644 4.718 16.502 12.414 1.00 10.14 H new ATOM 0 HG3 MET A 644 3.170 16.878 13.144 1.00 10.14 H new ATOM 0 HE1 MET A 644 2.097 13.693 14.958 1.00 62.44 H new ATOM 0 HE2 MET A 644 2.003 15.469 14.886 1.00 62.44 H new ATOM 0 HE3 MET A 644 1.449 14.491 13.506 1.00 62.44 H new ATOM 130 N ALA A 645 2.588 15.903 8.225 1.00 53.12 N ATOM 131 CA ALA A 645 1.799 15.586 7.042 1.00 72.33 C ATOM 132 C ALA A 645 2.637 14.844 6.006 1.00 33.52 C ATOM 133 O ALA A 645 2.170 13.892 5.379 1.00 34.44 O ATOM 134 CB ALA A 645 1.216 16.856 6.440 1.00 40.20 C ATOM 0 H ALA A 645 2.634 16.897 8.447 1.00 53.12 H new ATOM 0 HA ALA A 645 0.981 14.932 7.346 1.00 72.33 H new ATOM 0 HB1 ALA A 645 0.629 16.604 5.557 1.00 40.20 H new ATOM 0 HB2 ALA A 645 0.576 17.346 7.174 1.00 40.20 H new ATOM 0 HB3 ALA A 645 2.025 17.530 6.158 1.00 40.20 H new ATOM 140 N LEU A 646 3.878 15.286 5.830 1.00 2.21 N ATOM 141 CA LEU A 646 4.783 14.664 4.868 1.00 21.15 C ATOM 142 C LEU A 646 5.043 13.206 5.230 1.00 51.51 C ATOM 143 O LEU A 646 5.039 12.330 4.365 1.00 63.14 O ATOM 144 CB LEU A 646 6.105 15.431 4.813 1.00 3.14 C ATOM 145 CG LEU A 646 6.140 16.642 3.880 1.00 3.23 C ATOM 146 CD1 LEU A 646 7.151 17.667 4.372 1.00 42.15 C ATOM 147 CD2 LEU A 646 6.465 16.210 2.457 1.00 32.04 C ATOM 0 H LEU A 646 4.281 16.072 6.340 1.00 2.21 H new ATOM 0 HA LEU A 646 4.310 14.697 3.887 1.00 21.15 H new ATOM 0 HB2 LEU A 646 6.349 15.767 5.821 1.00 3.14 H new ATOM 0 HB3 LEU A 646 6.891 14.740 4.508 1.00 3.14 H new ATOM 0 HG LEU A 646 5.154 17.106 3.881 1.00 3.23 H new ATOM 0 HD11 LEU A 646 7.162 18.521 3.695 1.00 42.15 H new ATOM 0 HD12 LEU A 646 6.874 18.000 5.372 1.00 42.15 H new ATOM 0 HD13 LEU A 646 8.142 17.215 4.401 1.00 42.15 H new ATOM 0 HD21 LEU A 646 6.486 17.085 1.807 1.00 32.04 H new ATOM 0 HD22 LEU A 646 7.439 15.721 2.439 1.00 32.04 H new ATOM 0 HD23 LEU A 646 5.703 15.514 2.105 1.00 32.04 H new ATOM 159 N THR A 647 5.265 12.951 6.516 1.00 62.23 N ATOM 160 CA THR A 647 5.526 11.598 6.992 1.00 2.23 C ATOM 161 C THR A 647 4.349 10.675 6.697 1.00 60.22 C ATOM 162 O THR A 647 4.532 9.545 6.246 1.00 1.21 O ATOM 163 CB THR A 647 5.811 11.582 8.506 1.00 43.22 C ATOM 164 OG1 THR A 647 6.921 12.434 8.805 1.00 54.24 O ATOM 165 CG2 THR A 647 6.105 10.168 8.985 1.00 0.11 C ATOM 0 H THR A 647 5.269 13.663 7.246 1.00 62.23 H new ATOM 0 HA THR A 647 6.407 11.239 6.460 1.00 2.23 H new ATOM 0 HB THR A 647 4.925 11.948 9.025 1.00 43.22 H new ATOM 0 HG1 THR A 647 6.657 13.370 8.682 1.00 54.24 H new ATOM 0 HG21 THR A 647 6.303 10.181 10.057 1.00 0.11 H new ATOM 0 HG22 THR A 647 5.245 9.529 8.783 1.00 0.11 H new ATOM 0 HG23 THR A 647 6.977 9.780 8.459 1.00 0.11 H new ATOM 173 N VAL A 648 3.141 11.164 6.955 1.00 12.13 N ATOM 174 CA VAL A 648 1.932 10.384 6.715 1.00 72.44 C ATOM 175 C VAL A 648 1.809 10.000 5.244 1.00 30.01 C ATOM 176 O VAL A 648 1.602 8.833 4.912 1.00 2.35 O ATOM 177 CB VAL A 648 0.671 11.157 7.140 1.00 14.42 C ATOM 178 CG1 VAL A 648 -0.583 10.372 6.782 1.00 13.11 C ATOM 179 CG2 VAL A 648 0.711 11.462 8.631 1.00 70.11 C ATOM 0 H VAL A 648 2.973 12.097 7.331 1.00 12.13 H new ATOM 0 HA VAL A 648 2.014 9.480 7.318 1.00 72.44 H new ATOM 0 HB VAL A 648 0.646 12.103 6.599 1.00 14.42 H new ATOM 0 HG11 VAL A 648 -1.465 10.934 7.090 1.00 13.11 H new ATOM 0 HG12 VAL A 648 -0.615 10.209 5.705 1.00 13.11 H new ATOM 0 HG13 VAL A 648 -0.569 9.410 7.294 1.00 13.11 H new ATOM 0 HG21 VAL A 648 -0.188 12.009 8.915 1.00 70.11 H new ATOM 0 HG22 VAL A 648 0.760 10.529 9.192 1.00 70.11 H new ATOM 0 HG23 VAL A 648 1.590 12.067 8.855 1.00 70.11 H new ATOM 189 N ILE A 649 1.938 10.991 4.368 1.00 15.43 N ATOM 190 CA ILE A 649 1.842 10.757 2.933 1.00 1.22 C ATOM 191 C ILE A 649 2.908 9.774 2.463 1.00 33.42 C ATOM 192 O ILE A 649 2.611 8.805 1.766 1.00 13.12 O ATOM 193 CB ILE A 649 1.982 12.069 2.138 1.00 12.10 C ATOM 194 CG1 ILE A 649 0.867 13.045 2.519 1.00 51.52 C ATOM 195 CG2 ILE A 649 1.960 11.788 0.643 1.00 14.01 C ATOM 196 CD1 ILE A 649 0.940 14.364 1.784 1.00 42.33 C ATOM 0 H ILE A 649 2.109 11.963 4.627 1.00 15.43 H new ATOM 0 HA ILE A 649 0.855 10.333 2.748 1.00 1.22 H new ATOM 0 HB ILE A 649 2.939 12.526 2.388 1.00 12.10 H new ATOM 0 HG12 ILE A 649 -0.097 12.579 2.317 1.00 51.52 H new ATOM 0 HG13 ILE A 649 0.911 13.233 3.592 1.00 51.52 H new ATOM 0 HG21 ILE A 649 2.060 12.725 0.095 1.00 14.01 H new ATOM 0 HG22 ILE A 649 2.787 11.127 0.385 1.00 14.01 H new ATOM 0 HG23 ILE A 649 1.017 11.311 0.376 1.00 14.01 H new ATOM 0 HD11 ILE A 649 0.119 15.005 2.105 1.00 42.33 H new ATOM 0 HD12 ILE A 649 1.889 14.852 2.006 1.00 42.33 H new ATOM 0 HD13 ILE A 649 0.865 14.187 0.711 1.00 42.33 H new ATOM 208 N ALA A 650 4.153 10.032 2.851 1.00 63.44 N ATOM 209 CA ALA A 650 5.265 9.168 2.472 1.00 31.14 C ATOM 210 C ALA A 650 5.069 7.755 3.010 1.00 40.45 C ATOM 211 O ALA A 650 5.326 6.774 2.312 1.00 52.51 O ATOM 212 CB ALA A 650 6.579 9.748 2.975 1.00 12.23 C ATOM 0 H ALA A 650 4.417 10.831 3.427 1.00 63.44 H new ATOM 0 HA ALA A 650 5.297 9.114 1.384 1.00 31.14 H new ATOM 0 HB1 ALA A 650 7.401 9.093 2.685 1.00 12.23 H new ATOM 0 HB2 ALA A 650 6.731 10.736 2.539 1.00 12.23 H new ATOM 0 HB3 ALA A 650 6.548 9.832 4.061 1.00 12.23 H new ATOM 218 N GLY A 651 4.613 7.657 4.255 1.00 54.12 N ATOM 219 CA GLY A 651 4.390 6.359 4.864 1.00 74.30 C ATOM 220 C GLY A 651 3.448 5.492 4.055 1.00 64.14 C ATOM 221 O GLY A 651 3.758 4.339 3.752 1.00 43.20 O ATOM 0 H GLY A 651 4.394 8.454 4.853 1.00 54.12 H new ATOM 0 HA2 GLY A 651 5.345 5.845 4.976 1.00 74.30 H new ATOM 0 HA3 GLY A 651 3.982 6.497 5.865 1.00 74.30 H new ATOM 225 N LEU A 652 2.292 6.045 3.704 1.00 2.41 N ATOM 226 CA LEU A 652 1.298 5.313 2.925 1.00 35.24 C ATOM 227 C LEU A 652 1.873 4.881 1.580 1.00 43.54 C ATOM 228 O LEU A 652 1.771 3.715 1.195 1.00 13.22 O ATOM 229 CB LEU A 652 0.055 6.178 2.708 1.00 50.24 C ATOM 230 CG LEU A 652 -0.686 6.616 3.971 1.00 22.44 C ATOM 231 CD1 LEU A 652 -1.793 7.602 3.625 1.00 34.21 C ATOM 232 CD2 LEU A 652 -1.254 5.409 4.702 1.00 11.23 C ATOM 0 H LEU A 652 2.020 6.998 3.946 1.00 2.41 H new ATOM 0 HA LEU A 652 1.018 4.420 3.484 1.00 35.24 H new ATOM 0 HB2 LEU A 652 0.350 7.070 2.156 1.00 50.24 H new ATOM 0 HB3 LEU A 652 -0.641 5.627 2.075 1.00 50.24 H new ATOM 0 HG LEU A 652 0.024 7.114 4.631 1.00 22.44 H new ATOM 0 HD11 LEU A 652 -2.310 7.903 4.536 1.00 34.21 H new ATOM 0 HD12 LEU A 652 -1.361 8.481 3.146 1.00 34.21 H new ATOM 0 HD13 LEU A 652 -2.502 7.129 2.945 1.00 34.21 H new ATOM 0 HD21 LEU A 652 -1.778 5.740 5.599 1.00 11.23 H new ATOM 0 HD22 LEU A 652 -1.950 4.882 4.049 1.00 11.23 H new ATOM 0 HD23 LEU A 652 -0.442 4.739 4.983 1.00 11.23 H new ATOM 244 N VAL A 653 2.479 5.827 0.869 1.00 44.44 N ATOM 245 CA VAL A 653 3.072 5.542 -0.433 1.00 14.14 C ATOM 246 C VAL A 653 4.061 4.385 -0.344 1.00 62.01 C ATOM 247 O VAL A 653 3.974 3.421 -1.106 1.00 75.13 O ATOM 248 CB VAL A 653 3.793 6.778 -1.003 1.00 54.03 C ATOM 249 CG1 VAL A 653 4.624 6.397 -2.218 1.00 22.42 C ATOM 250 CG2 VAL A 653 2.791 7.866 -1.351 1.00 4.55 C ATOM 0 H VAL A 653 2.572 6.796 1.172 1.00 44.44 H new ATOM 0 HA VAL A 653 2.255 5.267 -1.101 1.00 14.14 H new ATOM 0 HB VAL A 653 4.467 7.169 -0.240 1.00 54.03 H new ATOM 0 HG11 VAL A 653 5.126 7.283 -2.608 1.00 22.42 H new ATOM 0 HG12 VAL A 653 5.368 5.654 -1.931 1.00 22.42 H new ATOM 0 HG13 VAL A 653 3.974 5.981 -2.987 1.00 22.42 H new ATOM 0 HG21 VAL A 653 3.318 8.731 -1.752 1.00 4.55 H new ATOM 0 HG22 VAL A 653 2.090 7.490 -2.097 1.00 4.55 H new ATOM 0 HG23 VAL A 653 2.245 8.158 -0.454 1.00 4.55 H new ATOM 260 N VAL A 654 5.001 4.487 0.590 1.00 3.10 N ATOM 261 CA VAL A 654 6.007 3.448 0.779 1.00 12.44 C ATOM 262 C VAL A 654 5.355 2.088 1.010 1.00 22.53 C ATOM 263 O VAL A 654 5.862 1.063 0.556 1.00 43.34 O ATOM 264 CB VAL A 654 6.930 3.771 1.970 1.00 65.11 C ATOM 265 CG1 VAL A 654 7.944 2.657 2.176 1.00 60.53 C ATOM 266 CG2 VAL A 654 7.627 5.105 1.754 1.00 14.04 C ATOM 0 H VAL A 654 5.087 5.278 1.228 1.00 3.10 H new ATOM 0 HA VAL A 654 6.602 3.413 -0.134 1.00 12.44 H new ATOM 0 HB VAL A 654 6.321 3.846 2.871 1.00 65.11 H new ATOM 0 HG11 VAL A 654 8.587 2.902 3.021 1.00 60.53 H new ATOM 0 HG12 VAL A 654 7.421 1.722 2.377 1.00 60.53 H new ATOM 0 HG13 VAL A 654 8.551 2.547 1.278 1.00 60.53 H new ATOM 0 HG21 VAL A 654 8.275 5.319 2.604 1.00 14.04 H new ATOM 0 HG22 VAL A 654 8.225 5.060 0.844 1.00 14.04 H new ATOM 0 HG23 VAL A 654 6.881 5.894 1.659 1.00 14.04 H new ATOM 276 N ILE A 655 4.231 2.090 1.718 1.00 43.01 N ATOM 277 CA ILE A 655 3.510 0.856 2.006 1.00 1.13 C ATOM 278 C ILE A 655 2.928 0.249 0.735 1.00 23.00 C ATOM 279 O ILE A 655 3.152 -0.923 0.435 1.00 52.43 O ATOM 280 CB ILE A 655 2.371 1.093 3.016 1.00 30.30 C ATOM 281 CG1 ILE A 655 2.943 1.512 4.372 1.00 11.44 C ATOM 282 CG2 ILE A 655 1.520 -0.159 3.157 1.00 15.20 C ATOM 283 CD1 ILE A 655 1.984 2.336 5.203 1.00 10.25 C ATOM 0 H ILE A 655 3.800 2.931 2.102 1.00 43.01 H new ATOM 0 HA ILE A 655 4.231 0.163 2.439 1.00 1.13 H new ATOM 0 HB ILE A 655 1.737 1.899 2.646 1.00 30.30 H new ATOM 0 HG12 ILE A 655 3.221 0.619 4.932 1.00 11.44 H new ATOM 0 HG13 ILE A 655 3.856 2.085 4.211 1.00 11.44 H new ATOM 0 HG21 ILE A 655 0.720 0.024 3.874 1.00 15.20 H new ATOM 0 HG22 ILE A 655 1.089 -0.417 2.190 1.00 15.20 H new ATOM 0 HG23 ILE A 655 2.141 -0.983 3.509 1.00 15.20 H new ATOM 0 HD11 ILE A 655 2.456 2.598 6.150 1.00 10.25 H new ATOM 0 HD12 ILE A 655 1.725 3.247 4.663 1.00 10.25 H new ATOM 0 HD13 ILE A 655 1.080 1.758 5.395 1.00 10.25 H new ATOM 295 N PHE A 656 2.180 1.056 -0.012 1.00 51.02 N ATOM 296 CA PHE A 656 1.567 0.598 -1.253 1.00 3.03 C ATOM 297 C PHE A 656 2.626 0.104 -2.234 1.00 21.52 C ATOM 298 O PHE A 656 2.436 -0.906 -2.911 1.00 61.50 O ATOM 299 CB PHE A 656 0.753 1.726 -1.890 1.00 3.33 C ATOM 300 CG PHE A 656 0.338 1.441 -3.305 1.00 41.34 C ATOM 301 CD1 PHE A 656 -0.077 0.172 -3.677 1.00 33.33 C ATOM 302 CD2 PHE A 656 0.362 2.442 -4.263 1.00 71.04 C ATOM 303 CE1 PHE A 656 -0.459 -0.093 -4.979 1.00 73.05 C ATOM 304 CE2 PHE A 656 -0.018 2.182 -5.567 1.00 13.45 C ATOM 305 CZ PHE A 656 -0.430 0.913 -5.924 1.00 20.01 C ATOM 0 H PHE A 656 1.984 2.030 0.221 1.00 51.02 H new ATOM 0 HA PHE A 656 0.902 -0.232 -1.015 1.00 3.03 H new ATOM 0 HB2 PHE A 656 -0.138 1.905 -1.288 1.00 3.33 H new ATOM 0 HB3 PHE A 656 1.341 2.644 -1.870 1.00 3.33 H new ATOM 0 HD1 PHE A 656 -0.102 -0.619 -2.942 1.00 33.33 H new ATOM 0 HD2 PHE A 656 0.681 3.436 -3.988 1.00 71.04 H new ATOM 0 HE1 PHE A 656 -0.780 -1.086 -5.257 1.00 73.05 H new ATOM 0 HE2 PHE A 656 0.007 2.970 -6.305 1.00 13.45 H new ATOM 0 HZ PHE A 656 -0.729 0.708 -6.941 1.00 20.01 H new ATOM 315 N MET A 657 3.741 0.824 -2.304 1.00 1.11 N ATOM 316 CA MET A 657 4.831 0.459 -3.201 1.00 52.45 C ATOM 317 C MET A 657 5.544 -0.796 -2.707 1.00 23.01 C ATOM 318 O MET A 657 5.667 -1.779 -3.437 1.00 61.13 O ATOM 319 CB MET A 657 5.829 1.612 -3.322 1.00 50.42 C ATOM 320 CG MET A 657 5.257 2.840 -4.014 1.00 14.41 C ATOM 321 SD MET A 657 6.527 3.844 -4.808 1.00 11.54 S ATOM 322 CE MET A 657 7.476 4.377 -3.384 1.00 62.12 C ATOM 0 H MET A 657 3.913 1.663 -1.750 1.00 1.11 H new ATOM 0 HA MET A 657 4.406 0.252 -4.183 1.00 52.45 H new ATOM 0 HB2 MET A 657 6.171 1.892 -2.326 1.00 50.42 H new ATOM 0 HB3 MET A 657 6.704 1.268 -3.874 1.00 50.42 H new ATOM 0 HG2 MET A 657 4.528 2.525 -4.761 1.00 14.41 H new ATOM 0 HG3 MET A 657 4.722 3.448 -3.284 1.00 14.41 H new ATOM 0 HE1 MET A 657 7.570 5.463 -3.395 1.00 62.12 H new ATOM 0 HE2 MET A 657 6.968 4.066 -2.471 1.00 62.12 H new ATOM 0 HE3 MET A 657 8.468 3.927 -3.418 1.00 62.12 H new ATOM 332 N MET A 658 6.013 -0.755 -1.464 1.00 5.30 N ATOM 333 CA MET A 658 6.713 -1.889 -0.874 1.00 1.40 C ATOM 334 C MET A 658 5.841 -3.141 -0.902 1.00 35.31 C ATOM 335 O MET A 658 6.259 -4.190 -1.392 1.00 62.12 O ATOM 336 CB MET A 658 7.123 -1.570 0.566 1.00 45.50 C ATOM 337 CG MET A 658 8.334 -0.657 0.665 1.00 44.34 C ATOM 338 SD MET A 658 9.116 -0.715 2.288 1.00 15.31 S ATOM 339 CE MET A 658 7.680 -0.658 3.358 1.00 22.42 C ATOM 0 H MET A 658 5.921 0.051 -0.846 1.00 5.30 H new ATOM 0 HA MET A 658 7.609 -2.079 -1.465 1.00 1.40 H new ATOM 0 HB2 MET A 658 6.283 -1.102 1.079 1.00 45.50 H new ATOM 0 HB3 MET A 658 7.337 -2.502 1.089 1.00 45.50 H new ATOM 0 HG2 MET A 658 9.062 -0.941 -0.095 1.00 44.34 H new ATOM 0 HG3 MET A 658 8.031 0.367 0.448 1.00 44.34 H new ATOM 0 HE1 MET A 658 7.934 -0.136 4.281 1.00 22.42 H new ATOM 0 HE2 MET A 658 6.871 -0.130 2.854 1.00 22.42 H new ATOM 0 HE3 MET A 658 7.360 -1.673 3.592 1.00 22.42 H new ATOM 349 N LEU A 659 4.628 -3.023 -0.371 1.00 20.12 N ATOM 350 CA LEU A 659 3.697 -4.145 -0.335 1.00 34.40 C ATOM 351 C LEU A 659 3.481 -4.718 -1.732 1.00 53.02 C ATOM 352 O LEU A 659 3.564 -5.928 -1.937 1.00 54.04 O ATOM 353 CB LEU A 659 2.359 -3.704 0.261 1.00 22.44 C ATOM 354 CG LEU A 659 2.351 -3.431 1.765 1.00 35.10 C ATOM 355 CD1 LEU A 659 0.937 -3.156 2.250 1.00 1.04 C ATOM 356 CD2 LEU A 659 2.957 -4.604 2.522 1.00 31.44 C ATOM 0 H LEU A 659 4.267 -2.162 0.040 1.00 20.12 H new ATOM 0 HA LEU A 659 4.128 -4.924 0.294 1.00 34.40 H new ATOM 0 HB2 LEU A 659 2.035 -2.799 -0.254 1.00 22.44 H new ATOM 0 HB3 LEU A 659 1.618 -4.474 0.048 1.00 22.44 H new ATOM 0 HG LEU A 659 2.958 -2.546 1.958 1.00 35.10 H new ATOM 0 HD11 LEU A 659 0.951 -2.964 3.323 1.00 1.04 H new ATOM 0 HD12 LEU A 659 0.537 -2.285 1.731 1.00 1.04 H new ATOM 0 HD13 LEU A 659 0.307 -4.022 2.045 1.00 1.04 H new ATOM 0 HD21 LEU A 659 2.943 -4.393 3.591 1.00 31.44 H new ATOM 0 HD22 LEU A 659 2.376 -5.505 2.322 1.00 31.44 H new ATOM 0 HD23 LEU A 659 3.986 -4.756 2.195 1.00 31.44 H new ATOM 368 N GLY A 660 3.204 -3.840 -2.690 1.00 25.32 N ATOM 369 CA GLY A 660 2.982 -4.278 -4.057 1.00 15.23 C ATOM 370 C GLY A 660 4.191 -4.978 -4.644 1.00 63.30 C ATOM 371 O GLY A 660 4.085 -6.093 -5.153 1.00 51.42 O ATOM 0 H GLY A 660 3.129 -2.833 -2.545 1.00 25.32 H new ATOM 0 HA2 GLY A 660 2.126 -4.953 -4.085 1.00 15.23 H new ATOM 0 HA3 GLY A 660 2.729 -3.416 -4.675 1.00 15.23 H new ATOM 375 N GLY A 661 5.345 -4.320 -4.577 1.00 31.13 N ATOM 376 CA GLY A 661 6.562 -4.901 -5.112 1.00 43.01 C ATOM 377 C GLY A 661 7.004 -6.131 -4.345 1.00 62.13 C ATOM 378 O GLY A 661 7.594 -7.049 -4.915 1.00 40.24 O ATOM 0 H GLY A 661 5.458 -3.395 -4.162 1.00 31.13 H new ATOM 0 HA2 GLY A 661 6.405 -5.166 -6.158 1.00 43.01 H new ATOM 0 HA3 GLY A 661 7.358 -4.156 -5.088 1.00 43.01 H new ATOM 382 N THR A 662 6.719 -6.150 -3.047 1.00 72.24 N ATOM 383 CA THR A 662 7.094 -7.275 -2.199 1.00 1.04 C ATOM 384 C THR A 662 6.210 -8.487 -2.471 1.00 62.31 C ATOM 385 O THR A 662 6.706 -9.590 -2.703 1.00 74.12 O ATOM 386 CB THR A 662 6.998 -6.909 -0.706 1.00 55.53 C ATOM 387 OG1 THR A 662 7.980 -5.919 -0.379 1.00 4.25 O ATOM 388 CG2 THR A 662 7.203 -8.139 0.167 1.00 2.42 C ATOM 0 H THR A 662 6.230 -5.399 -2.560 1.00 72.24 H new ATOM 0 HA THR A 662 8.128 -7.521 -2.440 1.00 1.04 H new ATOM 0 HB THR A 662 6.002 -6.509 -0.517 1.00 55.53 H new ATOM 0 HG1 THR A 662 7.667 -5.038 -0.673 1.00 4.25 H new ATOM 0 HG21 THR A 662 7.131 -7.856 1.217 1.00 2.42 H new ATOM 0 HG22 THR A 662 6.437 -8.880 -0.063 1.00 2.42 H new ATOM 0 HG23 THR A 662 8.188 -8.563 -0.028 1.00 2.42 H new ATOM 396 N PHE A 663 4.899 -8.276 -2.443 1.00 64.42 N ATOM 397 CA PHE A 663 3.946 -9.352 -2.688 1.00 11.43 C ATOM 398 C PHE A 663 4.196 -10.002 -4.045 1.00 41.51 C ATOM 399 O PHE A 663 4.377 -11.217 -4.140 1.00 50.51 O ATOM 400 CB PHE A 663 2.513 -8.817 -2.622 1.00 13.22 C ATOM 401 CG PHE A 663 1.525 -9.816 -2.092 1.00 51.40 C ATOM 402 CD1 PHE A 663 1.422 -11.077 -2.658 1.00 21.21 C ATOM 403 CD2 PHE A 663 0.697 -9.494 -1.028 1.00 50.25 C ATOM 404 CE1 PHE A 663 0.514 -11.999 -2.174 1.00 15.01 C ATOM 405 CE2 PHE A 663 -0.213 -10.413 -0.538 1.00 61.12 C ATOM 406 CZ PHE A 663 -0.306 -11.665 -1.113 1.00 70.23 C ATOM 0 H PHE A 663 4.472 -7.369 -2.253 1.00 64.42 H new ATOM 0 HA PHE A 663 4.081 -10.107 -1.913 1.00 11.43 H new ATOM 0 HB2 PHE A 663 2.494 -7.929 -1.991 1.00 13.22 H new ATOM 0 HB3 PHE A 663 2.203 -8.506 -3.620 1.00 13.22 H new ATOM 0 HD1 PHE A 663 2.060 -11.342 -3.488 1.00 21.21 H new ATOM 0 HD2 PHE A 663 0.763 -8.515 -0.577 1.00 50.25 H new ATOM 0 HE1 PHE A 663 0.445 -12.978 -2.624 1.00 15.01 H new ATOM 0 HE2 PHE A 663 -0.850 -10.152 0.294 1.00 61.12 H new ATOM 0 HZ PHE A 663 -1.019 -12.382 -0.734 1.00 70.23 H new ATOM 416 N LEU A 664 4.204 -9.187 -5.093 1.00 22.13 N ATOM 417 CA LEU A 664 4.431 -9.681 -6.446 1.00 63.21 C ATOM 418 C LEU A 664 5.769 -10.407 -6.544 1.00 15.42 C ATOM 419 O LEU A 664 5.854 -11.502 -7.100 1.00 70.30 O ATOM 420 CB LEU A 664 4.392 -8.525 -7.447 1.00 11.12 C ATOM 421 CG LEU A 664 3.050 -7.803 -7.587 1.00 51.13 C ATOM 422 CD1 LEU A 664 3.048 -6.917 -8.822 1.00 13.34 C ATOM 423 CD2 LEU A 664 1.909 -8.808 -7.646 1.00 61.03 C ATOM 0 H LEU A 664 4.056 -8.180 -5.032 1.00 22.13 H new ATOM 0 HA LEU A 664 3.636 -10.388 -6.685 1.00 63.21 H new ATOM 0 HB2 LEU A 664 5.147 -7.794 -7.157 1.00 11.12 H new ATOM 0 HB3 LEU A 664 4.679 -8.909 -8.426 1.00 11.12 H new ATOM 0 HG LEU A 664 2.905 -7.170 -6.712 1.00 51.13 H new ATOM 0 HD11 LEU A 664 2.086 -6.411 -8.906 1.00 13.34 H new ATOM 0 HD12 LEU A 664 3.842 -6.175 -8.739 1.00 13.34 H new ATOM 0 HD13 LEU A 664 3.215 -7.529 -9.709 1.00 13.34 H new ATOM 0 HD21 LEU A 664 0.962 -8.278 -7.746 1.00 61.03 H new ATOM 0 HD22 LEU A 664 2.048 -9.466 -8.503 1.00 61.03 H new ATOM 0 HD23 LEU A 664 1.899 -9.401 -6.731 1.00 61.03 H new ATOM 435 N TYR A 665 6.811 -9.791 -5.995 1.00 22.00 N ATOM 436 CA TYR A 665 8.146 -10.378 -6.020 1.00 44.32 C ATOM 437 C TYR A 665 8.164 -11.720 -5.294 1.00 52.21 C ATOM 438 O TYR A 665 8.667 -12.714 -5.817 1.00 20.11 O ATOM 439 CB TYR A 665 9.156 -9.426 -5.381 1.00 72.40 C ATOM 440 CG TYR A 665 10.456 -10.094 -4.992 1.00 53.01 C ATOM 441 CD1 TYR A 665 10.616 -10.670 -3.737 1.00 23.41 C ATOM 442 CD2 TYR A 665 11.523 -10.150 -5.880 1.00 72.32 C ATOM 443 CE1 TYR A 665 11.802 -11.280 -3.378 1.00 63.23 C ATOM 444 CE2 TYR A 665 12.712 -10.760 -5.529 1.00 64.44 C ATOM 445 CZ TYR A 665 12.847 -11.323 -4.278 1.00 72.40 C ATOM 446 OH TYR A 665 14.030 -11.932 -3.924 1.00 15.44 O ATOM 0 H TYR A 665 6.757 -8.886 -5.528 1.00 22.00 H new ATOM 0 HA TYR A 665 8.423 -10.545 -7.061 1.00 44.32 H new ATOM 0 HB2 TYR A 665 9.368 -8.614 -6.077 1.00 72.40 H new ATOM 0 HB3 TYR A 665 8.709 -8.977 -4.494 1.00 72.40 H new ATOM 0 HD1 TYR A 665 9.799 -10.640 -3.031 1.00 23.41 H new ATOM 0 HD2 TYR A 665 11.421 -9.709 -6.861 1.00 72.32 H new ATOM 0 HE1 TYR A 665 11.911 -11.721 -2.398 1.00 63.23 H new ATOM 0 HE2 TYR A 665 13.532 -10.796 -6.231 1.00 64.44 H new ATOM 0 HH TYR A 665 14.662 -11.877 -4.671 1.00 15.44 H new ATOM 456 N TRP A 666 7.610 -11.739 -4.087 1.00 21.32 N ATOM 457 CA TRP A 666 7.562 -12.959 -3.288 1.00 31.35 C ATOM 458 C TRP A 666 6.868 -14.081 -4.050 1.00 73.33 C ATOM 459 O TRP A 666 7.405 -15.182 -4.178 1.00 70.52 O ATOM 460 CB TRP A 666 6.837 -12.698 -1.967 1.00 51.20 C ATOM 461 CG TRP A 666 7.400 -13.477 -0.816 1.00 21.34 C ATOM 462 CD1 TRP A 666 8.423 -13.100 0.006 1.00 22.42 C ATOM 463 CD2 TRP A 666 6.972 -14.765 -0.362 1.00 64.22 C ATOM 464 NE1 TRP A 666 8.658 -14.077 0.943 1.00 11.15 N ATOM 465 CE2 TRP A 666 7.780 -15.108 0.739 1.00 53.53 C ATOM 466 CE3 TRP A 666 5.984 -15.662 -0.778 1.00 12.13 C ATOM 467 CZ2 TRP A 666 7.629 -16.309 1.427 1.00 54.24 C ATOM 468 CZ3 TRP A 666 5.835 -16.854 -0.095 1.00 13.24 C ATOM 469 CH2 TRP A 666 6.653 -17.169 0.999 1.00 23.10 C ATOM 0 H TRP A 666 7.188 -10.925 -3.640 1.00 21.32 H new ATOM 0 HA TRP A 666 8.586 -13.268 -3.078 1.00 31.35 H new ATOM 0 HB2 TRP A 666 6.889 -11.634 -1.736 1.00 51.20 H new ATOM 0 HB3 TRP A 666 5.782 -12.948 -2.084 1.00 51.20 H new ATOM 0 HD1 TRP A 666 8.967 -12.170 -0.069 1.00 22.42 H new ATOM 0 HE1 TRP A 666 9.370 -14.040 1.672 1.00 11.15 H new ATOM 0 HE3 TRP A 666 5.348 -15.427 -1.619 1.00 12.13 H new ATOM 0 HZ2 TRP A 666 8.260 -16.554 2.269 1.00 54.24 H new ATOM 0 HZ3 TRP A 666 5.076 -17.555 -0.409 1.00 13.24 H new ATOM 0 HH2 TRP A 666 6.511 -18.108 1.514 1.00 23.10 H new ATOM 480 N ARG A 667 5.672 -13.797 -4.555 1.00 42.34 N ATOM 481 CA ARG A 667 4.904 -14.785 -5.304 1.00 71.23 C ATOM 482 C ARG A 667 5.743 -15.385 -6.430 1.00 51.41 C ATOM 483 O ARG A 667 5.877 -16.604 -6.535 1.00 32.14 O ATOM 484 CB ARG A 667 3.639 -14.149 -5.880 1.00 23.03 C ATOM 485 CG ARG A 667 2.614 -13.766 -4.824 1.00 61.42 C ATOM 486 CD ARG A 667 1.459 -12.982 -5.427 1.00 1.12 C ATOM 487 NE ARG A 667 0.843 -13.689 -6.547 1.00 70.41 N ATOM 488 CZ ARG A 667 0.100 -13.093 -7.471 1.00 25.53 C ATOM 489 NH1 ARG A 667 -0.119 -11.786 -7.410 1.00 44.30 N ATOM 490 NH2 ARG A 667 -0.426 -13.804 -8.461 1.00 3.34 N ATOM 0 H ARG A 667 5.214 -12.891 -4.459 1.00 42.34 H new ATOM 0 HA ARG A 667 4.621 -15.584 -4.619 1.00 71.23 H new ATOM 0 HB2 ARG A 667 3.915 -13.259 -6.446 1.00 23.03 H new ATOM 0 HB3 ARG A 667 3.181 -14.844 -6.583 1.00 23.03 H new ATOM 0 HG2 ARG A 667 2.232 -14.666 -4.343 1.00 61.42 H new ATOM 0 HG3 ARG A 667 3.094 -13.169 -4.049 1.00 61.42 H new ATOM 0 HD2 ARG A 667 0.708 -12.795 -4.659 1.00 1.12 H new ATOM 0 HD3 ARG A 667 1.818 -12.010 -5.765 1.00 1.12 H new ATOM 0 HE ARG A 667 0.992 -14.695 -6.623 1.00 70.41 H new ATOM 0 HH11 ARG A 667 0.284 -11.236 -6.651 1.00 44.30 H new ATOM 0 HH12 ARG A 667 -0.691 -11.331 -8.122 1.00 44.30 H new ATOM 0 HH21 ARG A 667 -0.259 -14.809 -8.512 1.00 3.34 H new ATOM 0 HH22 ARG A 667 -0.997 -13.345 -9.171 1.00 3.34 H new ATOM 504 N GLY A 668 6.303 -14.520 -7.269 1.00 20.22 N ATOM 505 CA GLY A 668 7.120 -14.983 -8.376 1.00 13.22 C ATOM 506 C GLY A 668 8.347 -15.743 -7.912 1.00 61.43 C ATOM 507 O GLY A 668 8.700 -16.774 -8.485 1.00 51.24 O ATOM 0 H GLY A 668 6.206 -13.507 -7.202 1.00 20.22 H new ATOM 0 HA2 GLY A 668 6.521 -15.625 -9.022 1.00 13.22 H new ATOM 0 HA3 GLY A 668 7.431 -14.128 -8.976 1.00 13.22 H new ATOM 511 N ARG A 669 9.001 -15.232 -6.874 1.00 53.42 N ATOM 512 CA ARG A 669 10.197 -15.869 -6.335 1.00 23.32 C ATOM 513 C ARG A 669 9.919 -17.323 -5.964 1.00 23.34 C ATOM 514 O ARG A 669 10.399 -18.244 -6.624 1.00 61.11 O ATOM 515 CB ARG A 669 10.699 -15.105 -5.109 1.00 41.00 C ATOM 516 CG ARG A 669 12.031 -14.407 -5.330 1.00 23.42 C ATOM 517 CD ARG A 669 13.140 -15.403 -5.628 1.00 61.14 C ATOM 518 NE ARG A 669 13.446 -16.244 -4.474 1.00 33.24 N ATOM 519 CZ ARG A 669 14.222 -15.855 -3.468 1.00 32.23 C ATOM 520 NH1 ARG A 669 14.767 -14.646 -3.475 1.00 63.01 N ATOM 521 NH2 ARG A 669 14.455 -16.676 -2.451 1.00 2.31 N ATOM 0 H ARG A 669 8.723 -14.379 -6.389 1.00 53.42 H new ATOM 0 HA ARG A 669 10.967 -15.850 -7.106 1.00 23.32 H new ATOM 0 HB2 ARG A 669 9.953 -14.364 -4.823 1.00 41.00 H new ATOM 0 HB3 ARG A 669 10.796 -15.799 -4.274 1.00 41.00 H new ATOM 0 HG2 ARG A 669 11.941 -13.703 -6.157 1.00 23.42 H new ATOM 0 HG3 ARG A 669 12.290 -13.827 -4.444 1.00 23.42 H new ATOM 0 HD2 ARG A 669 12.845 -16.033 -6.467 1.00 61.14 H new ATOM 0 HD3 ARG A 669 14.038 -14.865 -5.933 1.00 61.14 H new ATOM 0 HE ARG A 669 13.042 -17.180 -4.438 1.00 33.24 H new ATOM 0 HH11 ARG A 669 14.591 -14.012 -4.254 1.00 63.01 H new ATOM 0 HH12 ARG A 669 15.362 -14.350 -2.701 1.00 63.01 H new ATOM 0 HH21 ARG A 669 14.038 -17.607 -2.441 1.00 2.31 H new ATOM 0 HH22 ARG A 669 15.051 -16.376 -1.680 1.00 2.31 H new ATOM 535 N ARG A 670 9.143 -17.518 -4.904 1.00 52.32 N ATOM 536 CA ARG A 670 8.803 -18.860 -4.443 1.00 1.04 C ATOM 537 C ARG A 670 7.294 -19.079 -4.474 1.00 5.52 C ATOM 538 O ARG A 670 6.648 -19.179 -3.430 1.00 51.11 O ATOM 539 CB ARG A 670 9.333 -19.084 -3.026 1.00 42.54 C ATOM 540 CG ARG A 670 9.384 -17.818 -2.187 1.00 71.22 C ATOM 541 CD ARG A 670 9.881 -18.103 -0.778 1.00 54.23 C ATOM 542 NE ARG A 670 11.331 -17.968 -0.671 1.00 15.21 N ATOM 543 CZ ARG A 670 12.047 -18.491 0.319 1.00 13.41 C ATOM 544 NH1 ARG A 670 11.449 -19.182 1.280 1.00 72.43 N ATOM 545 NH2 ARG A 670 13.363 -18.324 0.348 1.00 50.24 N ATOM 0 H ARG A 670 8.738 -16.765 -4.348 1.00 52.32 H new ATOM 0 HA ARG A 670 9.271 -19.578 -5.116 1.00 1.04 H new ATOM 0 HB2 ARG A 670 8.703 -19.818 -2.523 1.00 42.54 H new ATOM 0 HB3 ARG A 670 10.334 -19.511 -3.085 1.00 42.54 H new ATOM 0 HG2 ARG A 670 10.039 -17.090 -2.665 1.00 71.22 H new ATOM 0 HG3 ARG A 670 8.391 -17.371 -2.140 1.00 71.22 H new ATOM 0 HD2 ARG A 670 9.401 -17.418 -0.079 1.00 54.23 H new ATOM 0 HD3 ARG A 670 9.589 -19.112 -0.488 1.00 54.23 H new ATOM 0 HE ARG A 670 11.821 -17.444 -1.396 1.00 15.21 H new ATOM 0 HH11 ARG A 670 10.438 -19.313 1.260 1.00 72.43 H new ATOM 0 HH12 ARG A 670 12.000 -19.583 2.039 1.00 72.43 H new ATOM 0 HH21 ARG A 670 13.826 -17.794 -0.390 1.00 50.24 H new ATOM 0 HH22 ARG A 670 13.911 -18.726 1.108 1.00 50.24 H new ATOM 559 N HIS A 671 6.736 -19.151 -5.679 1.00 73.12 N ATOM 560 CA HIS A 671 5.302 -19.359 -5.846 1.00 21.20 C ATOM 561 C HIS A 671 4.878 -20.710 -5.278 1.00 23.20 C ATOM 562 O HIS A 671 3.956 -20.793 -4.467 1.00 72.21 O ATOM 563 CB HIS A 671 4.921 -19.271 -7.325 1.00 54.23 C ATOM 564 CG HIS A 671 3.473 -18.968 -7.554 1.00 40.34 C ATOM 565 ND1 HIS A 671 2.564 -19.916 -7.975 1.00 40.52 N ATOM 566 CD2 HIS A 671 2.777 -17.816 -7.417 1.00 15.41 C ATOM 567 CE1 HIS A 671 1.371 -19.359 -8.088 1.00 21.31 C ATOM 568 NE2 HIS A 671 1.473 -18.084 -7.754 1.00 70.11 N ATOM 0 H HIS A 671 7.255 -19.068 -6.553 1.00 73.12 H new ATOM 0 HA HIS A 671 4.780 -18.575 -5.297 1.00 21.20 H new ATOM 0 HB2 HIS A 671 5.525 -18.499 -7.802 1.00 54.23 H new ATOM 0 HB3 HIS A 671 5.168 -20.215 -7.812 1.00 54.23 H new ATOM 0 HD2 HIS A 671 3.173 -16.862 -7.101 1.00 15.41 H new ATOM 0 HE1 HIS A 671 0.467 -19.860 -8.400 1.00 21.31 H new ATOM 0 HE2 HIS A 671 0.708 -17.409 -7.748 1.00 70.11 H new ATOM 576 N HIS A 672 5.557 -21.768 -5.712 1.00 10.00 N ATOM 577 CA HIS A 672 5.251 -23.116 -5.246 1.00 61.45 C ATOM 578 C HIS A 672 6.208 -23.537 -4.135 1.00 41.52 C ATOM 579 O HIS A 672 7.071 -22.764 -3.719 1.00 50.25 O ATOM 580 CB HIS A 672 5.330 -24.109 -6.407 1.00 32.13 C ATOM 581 CG HIS A 672 3.991 -24.595 -6.870 1.00 74.34 C ATOM 582 ND1 HIS A 672 3.090 -25.226 -6.038 1.00 32.34 N ATOM 583 CD2 HIS A 672 3.402 -24.540 -8.088 1.00 51.14 C ATOM 584 CE1 HIS A 672 2.006 -25.539 -6.724 1.00 13.21 C ATOM 585 NE2 HIS A 672 2.169 -25.133 -7.970 1.00 73.40 N ATOM 0 H HIS A 672 6.322 -21.718 -6.385 1.00 10.00 H new ATOM 0 HA HIS A 672 4.237 -23.115 -4.846 1.00 61.45 H new ATOM 0 HB2 HIS A 672 5.846 -23.637 -7.244 1.00 32.13 H new ATOM 0 HB3 HIS A 672 5.933 -24.965 -6.102 1.00 32.13 H new ATOM 0 HD2 HIS A 672 3.823 -24.110 -8.985 1.00 51.14 H new ATOM 0 HE1 HIS A 672 1.134 -26.042 -6.332 1.00 13.21 H new ATOM 0 HE2 HIS A 672 1.489 -25.242 -8.723 1.00 73.40 H new ATOM 593 N HIS A 673 6.047 -24.767 -3.657 1.00 65.15 N ATOM 594 CA HIS A 673 6.897 -25.292 -2.594 1.00 25.11 C ATOM 595 C HIS A 673 7.462 -26.657 -2.973 1.00 62.41 C ATOM 596 O HIS A 673 6.925 -27.343 -3.844 1.00 52.42 O ATOM 597 CB HIS A 673 6.108 -25.398 -1.289 1.00 42.24 C ATOM 598 CG HIS A 673 6.005 -24.104 -0.544 1.00 33.01 C ATOM 599 ND1 HIS A 673 7.026 -23.179 -0.497 1.00 55.33 N ATOM 600 CD2 HIS A 673 4.992 -23.581 0.186 1.00 22.45 C ATOM 601 CE1 HIS A 673 6.647 -22.143 0.231 1.00 63.13 C ATOM 602 NE2 HIS A 673 5.416 -22.362 0.657 1.00 43.13 N ATOM 0 H HIS A 673 5.336 -25.419 -3.989 1.00 65.15 H new ATOM 0 HA HIS A 673 7.729 -24.602 -2.453 1.00 25.11 H new ATOM 0 HB2 HIS A 673 5.104 -25.761 -1.510 1.00 42.24 H new ATOM 0 HB3 HIS A 673 6.582 -26.140 -0.647 1.00 42.24 H new ATOM 0 HD2 HIS A 673 4.030 -24.037 0.365 1.00 22.45 H new ATOM 0 HE1 HIS A 673 7.242 -21.267 0.442 1.00 63.13 H new ATOM 0 HE2 HIS A 673 4.869 -21.729 1.241 1.00 43.13 H new ATOM 610 N HIS A 674 8.551 -27.045 -2.317 1.00 35.03 N ATOM 611 CA HIS A 674 9.189 -28.328 -2.586 1.00 55.13 C ATOM 612 C HIS A 674 9.552 -28.456 -4.062 1.00 2.32 C ATOM 613 O HIS A 674 9.479 -29.542 -4.638 1.00 41.01 O ATOM 614 CB HIS A 674 8.268 -29.477 -2.173 1.00 31.22 C ATOM 615 CG HIS A 674 8.999 -30.740 -1.837 1.00 63.13 C ATOM 616 ND1 HIS A 674 8.386 -31.974 -1.784 1.00 1.15 N ATOM 617 CD2 HIS A 674 10.302 -30.956 -1.539 1.00 54.41 C ATOM 618 CE1 HIS A 674 9.278 -32.894 -1.465 1.00 21.12 C ATOM 619 NE2 HIS A 674 10.449 -32.303 -1.311 1.00 32.23 N ATOM 0 H HIS A 674 9.010 -26.489 -1.595 1.00 35.03 H new ATOM 0 HA HIS A 674 10.106 -28.379 -1.999 1.00 55.13 H new ATOM 0 HB2 HIS A 674 7.679 -29.167 -1.310 1.00 31.22 H new ATOM 0 HB3 HIS A 674 7.566 -29.678 -2.982 1.00 31.22 H new ATOM 0 HD2 HIS A 674 11.080 -30.209 -1.490 1.00 54.41 H new ATOM 0 HE1 HIS A 674 9.083 -33.950 -1.350 1.00 21.12 H new ATOM 0 HE2 HIS A 674 11.321 -32.771 -1.063 1.00 32.23 H new ATOM 627 N HIS A 675 9.941 -27.340 -4.670 1.00 13.11 N ATOM 628 CA HIS A 675 10.314 -27.328 -6.080 1.00 12.13 C ATOM 629 C HIS A 675 9.179 -27.861 -6.947 1.00 2.40 C ATOM 630 O HIS A 675 9.398 -28.682 -7.839 1.00 50.22 O ATOM 631 CB HIS A 675 11.576 -28.161 -6.302 1.00 63.42 C ATOM 632 CG HIS A 675 12.835 -27.469 -5.874 1.00 12.53 C ATOM 633 ND1 HIS A 675 13.529 -27.808 -4.732 1.00 40.34 N ATOM 634 CD2 HIS A 675 13.524 -26.453 -6.443 1.00 25.02 C ATOM 635 CE1 HIS A 675 14.589 -27.030 -4.617 1.00 10.12 C ATOM 636 NE2 HIS A 675 14.609 -26.198 -5.643 1.00 72.42 N ATOM 0 H HIS A 675 10.006 -26.433 -4.209 1.00 13.11 H new ATOM 0 HA HIS A 675 10.513 -26.296 -6.369 1.00 12.13 H new ATOM 0 HB2 HIS A 675 11.483 -29.099 -5.755 1.00 63.42 H new ATOM 0 HB3 HIS A 675 11.652 -28.415 -7.359 1.00 63.42 H new ATOM 0 HD2 HIS A 675 13.267 -25.938 -7.357 1.00 25.02 H new ATOM 0 HE1 HIS A 675 15.316 -27.067 -3.820 1.00 10.12 H new ATOM 0 HE2 HIS A 675 15.316 -25.483 -5.813 1.00 72.42 H new ATOM 644 N HIS A 676 7.964 -27.392 -6.679 1.00 22.42 N ATOM 645 CA HIS A 676 6.794 -27.822 -7.435 1.00 50.22 C ATOM 646 C HIS A 676 6.430 -26.796 -8.504 1.00 10.43 C ATOM 647 O HIS A 676 6.944 -25.679 -8.466 1.00 73.33 O ATOM 648 CB HIS A 676 5.606 -28.042 -6.497 1.00 72.23 C ATOM 649 CG HIS A 676 5.656 -29.347 -5.763 1.00 22.11 C ATOM 650 ND1 HIS A 676 4.758 -29.689 -4.775 1.00 51.42 N ATOM 651 CD2 HIS A 676 6.503 -30.396 -5.880 1.00 51.31 C ATOM 652 CE1 HIS A 676 5.051 -30.892 -4.315 1.00 12.34 C ATOM 653 NE2 HIS A 676 6.105 -31.343 -4.969 1.00 61.32 N ATOM 0 H HIS A 676 7.765 -26.714 -5.944 1.00 22.42 H new ATOM 0 HA HIS A 676 7.037 -28.763 -7.928 1.00 50.22 H new ATOM 0 HB2 HIS A 676 5.570 -27.228 -5.773 1.00 72.23 H new ATOM 0 HB3 HIS A 676 4.683 -27.995 -7.075 1.00 72.23 H new ATOM 0 HD2 HIS A 676 7.336 -30.474 -6.563 1.00 51.31 H new ATOM 0 HE1 HIS A 676 4.519 -31.417 -3.536 1.00 12.34 H new ATOM 0 HE2 HIS A 676 6.551 -32.248 -4.822 1.00 61.32 H new TER 661 HIS A 676 ATOM 662 N MET B 637 -12.504 30.518 6.213 1.00 35.14 N ATOM 663 CA MET B 637 -11.369 31.386 6.506 1.00 41.33 C ATOM 664 C MET B 637 -10.226 31.133 5.527 1.00 43.21 C ATOM 665 O MET B 637 -9.967 31.944 4.638 1.00 41.12 O ATOM 666 CB MET B 637 -10.885 31.163 7.940 1.00 14.13 C ATOM 667 CG MET B 637 -11.299 32.268 8.899 1.00 71.25 C ATOM 668 SD MET B 637 -9.887 33.136 9.609 1.00 43.12 S ATOM 669 CE MET B 637 -9.164 33.864 8.141 1.00 24.13 C ATOM 0 HA MET B 637 -11.697 32.420 6.398 1.00 41.33 H new ATOM 0 HB2 MET B 637 -11.276 30.212 8.303 1.00 14.13 H new ATOM 0 HB3 MET B 637 -9.798 31.082 7.940 1.00 14.13 H new ATOM 0 HG2 MET B 637 -11.932 32.982 8.373 1.00 71.25 H new ATOM 0 HG3 MET B 637 -11.899 31.841 9.702 1.00 71.25 H new ATOM 0 HE1 MET B 637 -8.440 34.625 8.431 1.00 24.13 H new ATOM 0 HE2 MET B 637 -8.663 33.090 7.560 1.00 24.13 H new ATOM 0 HE3 MET B 637 -9.948 34.321 7.537 1.00 24.13 H new ATOM 679 N GLY B 638 -9.546 30.003 5.697 1.00 21.54 N ATOM 680 CA GLY B 638 -8.438 29.666 4.822 1.00 4.31 C ATOM 681 C GLY B 638 -8.196 28.171 4.744 1.00 3.10 C ATOM 682 O GLY B 638 -7.436 27.617 5.538 1.00 43.01 O ATOM 0 H GLY B 638 -9.742 29.315 6.424 1.00 21.54 H new ATOM 0 HA2 GLY B 638 -8.638 30.051 3.822 1.00 4.31 H new ATOM 0 HA3 GLY B 638 -7.534 30.159 5.179 1.00 4.31 H new ATOM 686 N ARG B 639 -8.844 27.517 3.786 1.00 22.04 N ATOM 687 CA ARG B 639 -8.697 26.077 3.610 1.00 22.10 C ATOM 688 C ARG B 639 -8.967 25.676 2.162 1.00 20.25 C ATOM 689 O ARG B 639 -10.110 25.425 1.778 1.00 54.43 O ATOM 690 CB ARG B 639 -9.649 25.328 4.543 1.00 75.13 C ATOM 691 CG ARG B 639 -9.233 25.376 6.004 1.00 33.22 C ATOM 692 CD ARG B 639 -9.903 26.528 6.737 1.00 13.43 C ATOM 693 NE ARG B 639 -9.033 27.111 7.755 1.00 61.44 N ATOM 694 CZ ARG B 639 -8.760 26.522 8.913 1.00 11.25 C ATOM 695 NH1 ARG B 639 -9.287 25.340 9.201 1.00 64.01 N ATOM 696 NH2 ARG B 639 -7.959 27.116 9.788 1.00 70.41 N ATOM 0 H ARG B 639 -9.476 27.961 3.120 1.00 22.04 H new ATOM 0 HA ARG B 639 -7.670 25.809 3.858 1.00 22.10 H new ATOM 0 HB2 ARG B 639 -10.649 25.751 4.445 1.00 75.13 H new ATOM 0 HB3 ARG B 639 -9.711 24.287 4.226 1.00 75.13 H new ATOM 0 HG2 ARG B 639 -9.493 24.435 6.488 1.00 33.22 H new ATOM 0 HG3 ARG B 639 -8.150 25.481 6.072 1.00 33.22 H new ATOM 0 HD2 ARG B 639 -10.187 27.298 6.019 1.00 13.43 H new ATOM 0 HD3 ARG B 639 -10.822 26.174 7.205 1.00 13.43 H new ATOM 0 HE ARG B 639 -8.612 28.021 7.566 1.00 61.44 H new ATOM 0 HH11 ARG B 639 -9.904 24.880 8.532 1.00 64.01 H new ATOM 0 HH12 ARG B 639 -9.075 24.890 10.092 1.00 64.01 H new ATOM 0 HH21 ARG B 639 -7.552 28.026 9.571 1.00 70.41 H new ATOM 0 HH22 ARG B 639 -7.750 26.663 10.677 1.00 70.41 H new ATOM 710 N THR B 640 -7.907 25.620 1.361 1.00 53.52 N ATOM 711 CA THR B 640 -8.029 25.251 -0.043 1.00 12.44 C ATOM 712 C THR B 640 -7.085 24.107 -0.396 1.00 15.32 C ATOM 713 O THR B 640 -7.499 23.104 -0.976 1.00 5.32 O ATOM 714 CB THR B 640 -7.734 26.449 -0.965 1.00 65.33 C ATOM 715 OG1 THR B 640 -8.627 27.527 -0.668 1.00 23.33 O ATOM 716 CG2 THR B 640 -7.877 26.053 -2.428 1.00 72.31 C ATOM 0 H THR B 640 -6.954 25.826 1.662 1.00 53.52 H new ATOM 0 HA THR B 640 -9.059 24.928 -0.197 1.00 12.44 H new ATOM 0 HB THR B 640 -6.707 26.770 -0.790 1.00 65.33 H new ATOM 0 HG1 THR B 640 -8.432 28.285 -1.257 1.00 23.33 H new ATOM 0 HG21 THR B 640 -7.664 26.915 -3.061 1.00 72.31 H new ATOM 0 HG22 THR B 640 -7.175 25.251 -2.658 1.00 72.31 H new ATOM 0 HG23 THR B 640 -8.894 25.709 -2.614 1.00 72.31 H new ATOM 724 N HIS B 641 -5.814 24.264 -0.041 1.00 35.22 N ATOM 725 CA HIS B 641 -4.811 23.243 -0.319 1.00 72.12 C ATOM 726 C HIS B 641 -5.128 21.952 0.430 1.00 75.32 C ATOM 727 O HIS B 641 -4.544 20.903 0.154 1.00 1.13 O ATOM 728 CB HIS B 641 -3.420 23.744 0.073 1.00 22.32 C ATOM 729 CG HIS B 641 -3.178 23.747 1.550 1.00 13.45 C ATOM 730 ND1 HIS B 641 -2.849 22.613 2.262 1.00 65.33 N ATOM 731 CD2 HIS B 641 -3.217 24.756 2.452 1.00 54.42 C ATOM 732 CE1 HIS B 641 -2.697 22.922 3.537 1.00 24.25 C ATOM 733 NE2 HIS B 641 -2.916 24.218 3.678 1.00 34.11 N ATOM 0 H HIS B 641 -5.454 25.089 0.440 1.00 35.22 H new ATOM 0 HA HIS B 641 -4.827 23.036 -1.389 1.00 72.12 H new ATOM 0 HB2 HIS B 641 -2.669 23.118 -0.408 1.00 22.32 H new ATOM 0 HB3 HIS B 641 -3.286 24.755 -0.311 1.00 22.32 H new ATOM 0 HD2 HIS B 641 -3.443 25.792 2.245 1.00 54.42 H new ATOM 0 HE1 HIS B 641 -2.438 22.234 4.328 1.00 24.25 H new ATOM 0 HE2 HIS B 641 -2.869 24.735 4.556 1.00 34.11 H new ATOM 741 N LEU B 642 -6.055 22.036 1.378 1.00 45.25 N ATOM 742 CA LEU B 642 -6.450 20.874 2.167 1.00 61.22 C ATOM 743 C LEU B 642 -7.237 19.880 1.317 1.00 32.03 C ATOM 744 O LEU B 642 -7.162 18.669 1.529 1.00 21.21 O ATOM 745 CB LEU B 642 -7.288 21.310 3.369 1.00 13.32 C ATOM 746 CG LEU B 642 -6.506 21.794 4.592 1.00 2.35 C ATOM 747 CD1 LEU B 642 -7.354 22.743 5.425 1.00 62.41 C ATOM 748 CD2 LEU B 642 -6.045 20.612 5.431 1.00 70.20 C ATOM 0 H LEU B 642 -6.547 22.896 1.619 1.00 45.25 H new ATOM 0 HA LEU B 642 -5.544 20.382 2.523 1.00 61.22 H new ATOM 0 HB2 LEU B 642 -7.956 22.110 3.050 1.00 13.32 H new ATOM 0 HB3 LEU B 642 -7.916 20.472 3.672 1.00 13.32 H new ATOM 0 HG LEU B 642 -5.625 22.335 4.247 1.00 2.35 H new ATOM 0 HD11 LEU B 642 -6.782 23.077 6.291 1.00 62.41 H new ATOM 0 HD12 LEU B 642 -7.635 23.605 4.821 1.00 62.41 H new ATOM 0 HD13 LEU B 642 -8.253 22.227 5.761 1.00 62.41 H new ATOM 0 HD21 LEU B 642 -5.491 20.974 6.297 1.00 70.20 H new ATOM 0 HD22 LEU B 642 -6.913 20.044 5.767 1.00 70.20 H new ATOM 0 HD23 LEU B 642 -5.401 19.969 4.831 1.00 70.20 H new ATOM 760 N THR B 643 -7.990 20.401 0.354 1.00 41.12 N ATOM 761 CA THR B 643 -8.791 19.560 -0.529 1.00 31.41 C ATOM 762 C THR B 643 -7.912 18.585 -1.304 1.00 75.01 C ATOM 763 O THR B 643 -8.115 17.372 -1.245 1.00 62.51 O ATOM 764 CB THR B 643 -9.602 20.407 -1.527 1.00 3.31 C ATOM 765 OG1 THR B 643 -10.088 21.590 -0.884 1.00 1.34 O ATOM 766 CG2 THR B 643 -10.771 19.610 -2.086 1.00 2.34 C ATOM 0 H THR B 643 -8.063 21.401 0.165 1.00 41.12 H new ATOM 0 HA THR B 643 -9.479 19.000 0.104 1.00 31.41 H new ATOM 0 HB THR B 643 -8.946 20.687 -2.351 1.00 3.31 H new ATOM 0 HG1 THR B 643 -9.409 22.294 -0.938 1.00 1.34 H new ATOM 0 HG21 THR B 643 -11.330 20.228 -2.789 1.00 2.34 H new ATOM 0 HG22 THR B 643 -10.395 18.725 -2.600 1.00 2.34 H new ATOM 0 HG23 THR B 643 -11.426 19.305 -1.270 1.00 2.34 H new ATOM 774 N MET B 644 -6.936 19.121 -2.028 1.00 0.22 N ATOM 775 CA MET B 644 -6.025 18.296 -2.813 1.00 3.14 C ATOM 776 C MET B 644 -5.221 17.365 -1.912 1.00 51.35 C ATOM 777 O MET B 644 -5.133 16.164 -2.166 1.00 55.52 O ATOM 778 CB MET B 644 -5.078 19.178 -3.629 1.00 4.32 C ATOM 779 CG MET B 644 -5.775 19.961 -4.731 1.00 34.21 C ATOM 780 SD MET B 644 -5.877 19.042 -6.279 1.00 33.40 S ATOM 781 CE MET B 644 -4.231 19.305 -6.936 1.00 60.23 C ATOM 0 H MET B 644 -6.755 20.123 -2.088 1.00 0.22 H new ATOM 0 HA MET B 644 -6.621 17.688 -3.494 1.00 3.14 H new ATOM 0 HB2 MET B 644 -4.577 19.877 -2.959 1.00 4.32 H new ATOM 0 HB3 MET B 644 -4.304 18.552 -4.073 1.00 4.32 H new ATOM 0 HG2 MET B 644 -6.780 20.225 -4.403 1.00 34.21 H new ATOM 0 HG3 MET B 644 -5.240 20.895 -4.902 1.00 34.21 H new ATOM 0 HE1 MET B 644 -4.137 18.796 -7.895 1.00 60.23 H new ATOM 0 HE2 MET B 644 -4.060 20.373 -7.073 1.00 60.23 H new ATOM 0 HE3 MET B 644 -3.493 18.906 -6.240 1.00 60.23 H new ATOM 791 N ALA B 645 -4.635 17.927 -0.860 1.00 13.20 N ATOM 792 CA ALA B 645 -3.840 17.146 0.079 1.00 2.55 C ATOM 793 C ALA B 645 -4.665 16.019 0.693 1.00 64.22 C ATOM 794 O ALA B 645 -4.181 14.897 0.850 1.00 33.11 O ATOM 795 CB ALA B 645 -3.279 18.046 1.171 1.00 53.02 C ATOM 0 H ALA B 645 -4.696 18.920 -0.637 1.00 13.20 H new ATOM 0 HA ALA B 645 -3.012 16.698 -0.470 1.00 2.55 H new ATOM 0 HB1 ALA B 645 -2.687 17.450 1.866 1.00 53.02 H new ATOM 0 HB2 ALA B 645 -2.648 18.813 0.722 1.00 53.02 H new ATOM 0 HB3 ALA B 645 -4.100 18.521 1.709 1.00 53.02 H new ATOM 801 N LEU B 646 -5.911 16.323 1.036 1.00 31.11 N ATOM 802 CA LEU B 646 -6.803 15.335 1.632 1.00 2.04 C ATOM 803 C LEU B 646 -7.043 14.171 0.677 1.00 44.43 C ATOM 804 O LEU B 646 -7.026 13.007 1.081 1.00 23.24 O ATOM 805 CB LEU B 646 -8.137 15.984 2.009 1.00 72.30 C ATOM 806 CG LEU B 646 -8.186 16.672 3.373 1.00 52.43 C ATOM 807 CD1 LEU B 646 -9.215 17.791 3.370 1.00 11.10 C ATOM 808 CD2 LEU B 646 -8.499 15.661 4.468 1.00 32.23 C ATOM 0 H LEU B 646 -6.327 17.246 0.912 1.00 31.11 H new ATOM 0 HA LEU B 646 -6.326 14.949 2.533 1.00 2.04 H new ATOM 0 HB2 LEU B 646 -8.390 16.719 1.244 1.00 72.30 H new ATOM 0 HB3 LEU B 646 -8.911 15.217 1.983 1.00 72.30 H new ATOM 0 HG LEU B 646 -7.207 17.107 3.575 1.00 52.43 H new ATOM 0 HD11 LEU B 646 -9.236 18.269 4.349 1.00 11.10 H new ATOM 0 HD12 LEU B 646 -8.949 18.528 2.612 1.00 11.10 H new ATOM 0 HD13 LEU B 646 -10.199 17.380 3.146 1.00 11.10 H new ATOM 0 HD21 LEU B 646 -8.530 16.167 5.433 1.00 32.23 H new ATOM 0 HD22 LEU B 646 -9.466 15.198 4.270 1.00 32.23 H new ATOM 0 HD23 LEU B 646 -7.726 14.893 4.486 1.00 32.23 H new ATOM 820 N THR B 647 -7.265 14.491 -0.595 1.00 51.11 N ATOM 821 CA THR B 647 -7.507 13.473 -1.609 1.00 54.54 C ATOM 822 C THR B 647 -6.318 12.526 -1.732 1.00 23.20 C ATOM 823 O THR B 647 -6.486 11.310 -1.811 1.00 43.25 O ATOM 824 CB THR B 647 -7.789 14.106 -2.984 1.00 13.41 C ATOM 825 OG1 THR B 647 -8.909 14.993 -2.893 1.00 22.54 O ATOM 826 CG2 THR B 647 -8.070 13.033 -4.026 1.00 22.31 C ATOM 0 H THR B 647 -7.282 15.448 -0.947 1.00 51.11 H new ATOM 0 HA THR B 647 -8.384 12.911 -1.289 1.00 54.54 H new ATOM 0 HB THR B 647 -6.905 14.666 -3.290 1.00 13.41 H new ATOM 0 HG1 THR B 647 -8.669 15.767 -2.342 1.00 22.54 H new ATOM 0 HG21 THR B 647 -8.266 13.504 -4.989 1.00 22.31 H new ATOM 0 HG22 THR B 647 -7.205 12.375 -4.113 1.00 22.31 H new ATOM 0 HG23 THR B 647 -8.940 12.450 -3.723 1.00 22.31 H new ATOM 834 N VAL B 648 -5.115 13.093 -1.747 1.00 41.50 N ATOM 835 CA VAL B 648 -3.898 12.299 -1.859 1.00 61.02 C ATOM 836 C VAL B 648 -3.769 11.323 -0.695 1.00 5.10 C ATOM 837 O VAL B 648 -3.546 10.128 -0.895 1.00 2.41 O ATOM 838 CB VAL B 648 -2.646 13.195 -1.905 1.00 40.23 C ATOM 839 CG1 VAL B 648 -1.383 12.347 -1.909 1.00 33.15 C ATOM 840 CG2 VAL B 648 -2.689 14.108 -3.120 1.00 61.45 C ATOM 0 H VAL B 648 -4.958 14.099 -1.683 1.00 41.50 H new ATOM 0 HA VAL B 648 -3.970 11.739 -2.792 1.00 61.02 H new ATOM 0 HB VAL B 648 -2.633 13.819 -1.011 1.00 40.23 H new ATOM 0 HG11 VAL B 648 -0.509 12.997 -1.942 1.00 33.15 H new ATOM 0 HG12 VAL B 648 -1.350 11.739 -1.005 1.00 33.15 H new ATOM 0 HG13 VAL B 648 -1.384 11.696 -2.783 1.00 33.15 H new ATOM 0 HG21 VAL B 648 -1.797 14.734 -3.137 1.00 61.45 H new ATOM 0 HG22 VAL B 648 -2.726 13.505 -4.027 1.00 61.45 H new ATOM 0 HG23 VAL B 648 -3.575 14.741 -3.069 1.00 61.45 H new ATOM 850 N ILE B 649 -3.910 11.840 0.521 1.00 40.30 N ATOM 851 CA ILE B 649 -3.811 11.013 1.718 1.00 42.41 C ATOM 852 C ILE B 649 -4.866 9.911 1.713 1.00 63.50 C ATOM 853 O ILE B 649 -4.554 8.739 1.925 1.00 62.53 O ATOM 854 CB ILE B 649 -3.971 11.855 2.998 1.00 72.51 C ATOM 855 CG1 ILE B 649 -2.869 12.913 3.079 1.00 60.14 C ATOM 856 CG2 ILE B 649 -3.944 10.959 4.227 1.00 14.04 C ATOM 857 CD1 ILE B 649 -2.961 13.789 4.309 1.00 63.24 C ATOM 0 H ILE B 649 -4.093 12.827 0.703 1.00 40.30 H new ATOM 0 HA ILE B 649 -2.818 10.563 1.710 1.00 42.41 H new ATOM 0 HB ILE B 649 -4.935 12.363 2.964 1.00 72.51 H new ATOM 0 HG12 ILE B 649 -1.899 12.417 3.068 1.00 60.14 H new ATOM 0 HG13 ILE B 649 -2.915 13.543 2.190 1.00 60.14 H new ATOM 0 HG21 ILE B 649 -4.058 11.568 5.124 1.00 14.04 H new ATOM 0 HG22 ILE B 649 -4.761 10.239 4.171 1.00 14.04 H new ATOM 0 HG23 ILE B 649 -2.994 10.427 4.268 1.00 14.04 H new ATOM 0 HD11 ILE B 649 -2.148 14.515 4.300 1.00 63.24 H new ATOM 0 HD12 ILE B 649 -3.917 14.313 4.312 1.00 63.24 H new ATOM 0 HD13 ILE B 649 -2.884 13.170 5.203 1.00 63.24 H new ATOM 869 N ALA B 650 -6.114 10.294 1.469 1.00 30.31 N ATOM 870 CA ALA B 650 -7.214 9.338 1.433 1.00 62.41 C ATOM 871 C ALA B 650 -7.000 8.297 0.340 1.00 41.42 C ATOM 872 O ALA B 650 -7.245 7.109 0.545 1.00 61.32 O ATOM 873 CB ALA B 650 -8.536 10.062 1.224 1.00 32.44 C ATOM 0 H ALA B 650 -6.389 11.260 1.293 1.00 30.31 H new ATOM 0 HA ALA B 650 -7.244 8.820 2.391 1.00 62.41 H new ATOM 0 HB1 ALA B 650 -9.349 9.336 1.199 1.00 32.44 H new ATOM 0 HB2 ALA B 650 -8.700 10.763 2.043 1.00 32.44 H new ATOM 0 HB3 ALA B 650 -8.507 10.607 0.280 1.00 32.44 H new ATOM 879 N GLY B 651 -6.542 8.752 -0.823 1.00 41.44 N ATOM 880 CA GLY B 651 -6.304 7.846 -1.932 1.00 53.41 C ATOM 881 C GLY B 651 -5.354 6.722 -1.569 1.00 32.44 C ATOM 882 O GLY B 651 -5.655 5.549 -1.787 1.00 14.31 O ATOM 0 H GLY B 651 -6.332 9.731 -1.017 1.00 41.44 H new ATOM 0 HA2 GLY B 651 -7.253 7.423 -2.262 1.00 53.41 H new ATOM 0 HA3 GLY B 651 -5.895 8.406 -2.773 1.00 53.41 H new ATOM 886 N LEU B 652 -4.200 7.082 -1.017 1.00 34.21 N ATOM 887 CA LEU B 652 -3.200 6.095 -0.624 1.00 71.01 C ATOM 888 C LEU B 652 -3.769 5.122 0.404 1.00 65.41 C ATOM 889 O LEU B 652 -3.657 3.906 0.250 1.00 54.23 O ATOM 890 CB LEU B 652 -1.963 6.792 -0.054 1.00 23.55 C ATOM 891 CG LEU B 652 -1.226 7.736 -1.005 1.00 24.32 C ATOM 892 CD1 LEU B 652 -0.128 8.486 -0.268 1.00 22.23 C ATOM 893 CD2 LEU B 652 -0.649 6.963 -2.182 1.00 22.33 C ATOM 0 H LEU B 652 -3.934 8.049 -0.832 1.00 34.21 H new ATOM 0 HA LEU B 652 -2.915 5.530 -1.512 1.00 71.01 H new ATOM 0 HB2 LEU B 652 -2.264 7.358 0.827 1.00 23.55 H new ATOM 0 HB3 LEU B 652 -1.262 6.028 0.282 1.00 23.55 H new ATOM 0 HG LEU B 652 -1.940 8.464 -1.389 1.00 24.32 H new ATOM 0 HD11 LEU B 652 0.385 9.153 -0.961 1.00 22.23 H new ATOM 0 HD12 LEU B 652 -0.566 9.071 0.541 1.00 22.23 H new ATOM 0 HD13 LEU B 652 0.585 7.773 0.145 1.00 22.23 H new ATOM 0 HD21 LEU B 652 -0.128 7.650 -2.848 1.00 22.33 H new ATOM 0 HD22 LEU B 652 0.051 6.212 -1.816 1.00 22.33 H new ATOM 0 HD23 LEU B 652 -1.456 6.472 -2.726 1.00 22.33 H new ATOM 905 N VAL B 653 -4.380 5.667 1.451 1.00 3.31 N ATOM 906 CA VAL B 653 -4.969 4.847 2.503 1.00 41.25 C ATOM 907 C VAL B 653 -5.949 3.833 1.925 1.00 53.35 C ATOM 908 O VAL B 653 -5.853 2.635 2.197 1.00 64.52 O ATOM 909 CB VAL B 653 -5.700 5.713 3.546 1.00 42.30 C ATOM 910 CG1 VAL B 653 -6.527 4.841 4.478 1.00 35.15 C ATOM 911 CG2 VAL B 653 -4.705 6.554 4.331 1.00 21.32 C ATOM 0 H VAL B 653 -4.480 6.672 1.593 1.00 3.31 H new ATOM 0 HA VAL B 653 -4.149 4.319 2.990 1.00 41.25 H new ATOM 0 HB VAL B 653 -6.377 6.388 3.023 1.00 42.30 H new ATOM 0 HG11 VAL B 653 -7.036 5.470 5.208 1.00 35.15 H new ATOM 0 HG12 VAL B 653 -7.265 4.287 3.898 1.00 35.15 H new ATOM 0 HG13 VAL B 653 -5.873 4.140 4.996 1.00 35.15 H new ATOM 0 HG21 VAL B 653 -5.239 7.160 5.063 1.00 21.32 H new ATOM 0 HG22 VAL B 653 -4.001 5.899 4.845 1.00 21.32 H new ATOM 0 HG23 VAL B 653 -4.161 7.206 3.648 1.00 21.32 H new ATOM 921 N VAL B 654 -6.893 4.318 1.124 1.00 13.52 N ATOM 922 CA VAL B 654 -7.890 3.453 0.506 1.00 40.41 C ATOM 923 C VAL B 654 -7.230 2.329 -0.284 1.00 31.41 C ATOM 924 O VAL B 654 -7.728 1.204 -0.317 1.00 24.23 O ATOM 925 CB VAL B 654 -8.818 4.248 -0.432 1.00 21.35 C ATOM 926 CG1 VAL B 654 -9.820 3.322 -1.104 1.00 10.31 C ATOM 927 CG2 VAL B 654 -9.531 5.352 0.335 1.00 5.03 C ATOM 0 H VAL B 654 -6.988 5.306 0.888 1.00 13.52 H new ATOM 0 HA VAL B 654 -8.482 3.025 1.315 1.00 40.41 H new ATOM 0 HB VAL B 654 -8.210 4.711 -1.209 1.00 21.35 H new ATOM 0 HG11 VAL B 654 -10.467 3.902 -1.763 1.00 10.31 H new ATOM 0 HG12 VAL B 654 -9.287 2.571 -1.688 1.00 10.31 H new ATOM 0 HG13 VAL B 654 -10.425 2.828 -0.344 1.00 10.31 H new ATOM 0 HG21 VAL B 654 -10.182 5.904 -0.343 1.00 5.03 H new ATOM 0 HG22 VAL B 654 -10.128 4.913 1.134 1.00 5.03 H new ATOM 0 HG23 VAL B 654 -8.794 6.032 0.764 1.00 5.03 H new ATOM 937 N ILE B 655 -6.104 2.642 -0.918 1.00 54.30 N ATOM 938 CA ILE B 655 -5.374 1.657 -1.707 1.00 32.33 C ATOM 939 C ILE B 655 -4.785 0.568 -0.817 1.00 22.31 C ATOM 940 O ILE B 655 -5.003 -0.622 -1.047 1.00 71.33 O ATOM 941 CB ILE B 655 -4.239 2.313 -2.515 1.00 34.12 C ATOM 942 CG1 ILE B 655 -4.815 3.268 -3.562 1.00 1.15 C ATOM 943 CG2 ILE B 655 -3.377 1.249 -3.178 1.00 5.21 C ATOM 944 CD1 ILE B 655 -3.865 4.377 -3.957 1.00 42.41 C ATOM 0 H ILE B 655 -5.678 3.569 -0.901 1.00 54.30 H new ATOM 0 HA ILE B 655 -6.090 1.211 -2.397 1.00 32.33 H new ATOM 0 HB ILE B 655 -3.612 2.887 -1.833 1.00 34.12 H new ATOM 0 HG12 ILE B 655 -5.086 2.699 -4.451 1.00 1.15 H new ATOM 0 HG13 ILE B 655 -5.733 3.709 -3.174 1.00 1.15 H new ATOM 0 HG21 ILE B 655 -2.579 1.729 -3.745 1.00 5.21 H new ATOM 0 HG22 ILE B 655 -2.942 0.605 -2.414 1.00 5.21 H new ATOM 0 HG23 ILE B 655 -3.991 0.650 -3.851 1.00 5.21 H new ATOM 0 HD11 ILE B 655 -4.340 5.015 -4.702 1.00 42.41 H new ATOM 0 HD12 ILE B 655 -3.614 4.971 -3.078 1.00 42.41 H new ATOM 0 HD13 ILE B 655 -2.956 3.945 -4.376 1.00 42.41 H new ATOM 956 N PHE B 656 -4.038 0.983 0.201 1.00 55.23 N ATOM 957 CA PHE B 656 -3.418 0.042 1.127 1.00 50.34 C ATOM 958 C PHE B 656 -4.471 -0.834 1.800 1.00 3.10 C ATOM 959 O PHE B 656 -4.266 -2.032 1.993 1.00 53.21 O ATOM 960 CB PHE B 656 -2.611 0.795 2.188 1.00 44.04 C ATOM 961 CG PHE B 656 -2.190 -0.067 3.343 1.00 55.42 C ATOM 962 CD1 PHE B 656 -1.760 -1.369 3.134 1.00 20.52 C ATOM 963 CD2 PHE B 656 -2.222 0.423 4.639 1.00 3.34 C ATOM 964 CE1 PHE B 656 -1.372 -2.163 4.196 1.00 54.34 C ATOM 965 CE2 PHE B 656 -1.836 -0.368 5.704 1.00 32.42 C ATOM 966 CZ PHE B 656 -1.409 -1.662 5.482 1.00 12.22 C ATOM 0 H PHE B 656 -3.847 1.964 0.406 1.00 55.23 H new ATOM 0 HA PHE B 656 -2.747 -0.601 0.557 1.00 50.34 H new ATOM 0 HB2 PHE B 656 -1.724 1.223 1.722 1.00 44.04 H new ATOM 0 HB3 PHE B 656 -3.207 1.627 2.564 1.00 44.04 H new ATOM 0 HD1 PHE B 656 -1.728 -1.766 2.130 1.00 20.52 H new ATOM 0 HD2 PHE B 656 -2.553 1.435 4.819 1.00 3.34 H new ATOM 0 HE1 PHE B 656 -1.040 -3.175 4.020 1.00 54.34 H new ATOM 0 HE2 PHE B 656 -1.868 0.026 6.709 1.00 32.42 H new ATOM 0 HZ PHE B 656 -1.104 -2.281 6.313 1.00 12.22 H new ATOM 976 N MET B 657 -5.599 -0.227 2.154 1.00 62.51 N ATOM 977 CA MET B 657 -6.685 -0.951 2.804 1.00 72.13 C ATOM 978 C MET B 657 -7.391 -1.874 1.816 1.00 24.23 C ATOM 979 O MET B 657 -7.507 -3.076 2.049 1.00 72.01 O ATOM 980 CB MET B 657 -7.689 0.030 3.411 1.00 33.32 C ATOM 981 CG MET B 657 -7.124 0.841 4.567 1.00 52.51 C ATOM 982 SD MET B 657 -8.398 1.393 5.716 1.00 22.04 S ATOM 983 CE MET B 657 -9.351 2.486 4.665 1.00 5.12 C ATOM 0 H MET B 657 -5.785 0.764 2.002 1.00 62.51 H new ATOM 0 HA MET B 657 -6.257 -1.560 3.600 1.00 72.13 H new ATOM 0 HB2 MET B 657 -8.034 0.712 2.634 1.00 33.32 H new ATOM 0 HB3 MET B 657 -8.561 -0.524 3.759 1.00 33.32 H new ATOM 0 HG2 MET B 657 -6.392 0.239 5.105 1.00 52.51 H new ATOM 0 HG3 MET B 657 -6.595 1.709 4.173 1.00 52.51 H new ATOM 0 HE1 MET B 657 -9.451 3.458 5.147 1.00 5.12 H new ATOM 0 HE2 MET B 657 -8.842 2.606 3.708 1.00 5.12 H new ATOM 0 HE3 MET B 657 -10.340 2.060 4.499 1.00 5.12 H new ATOM 993 N MET B 658 -7.863 -1.301 0.713 1.00 41.44 N ATOM 994 CA MET B 658 -8.558 -2.073 -0.310 1.00 44.02 C ATOM 995 C MET B 658 -7.678 -3.209 -0.826 1.00 15.35 C ATOM 996 O MET B 658 -8.089 -4.370 -0.835 1.00 14.35 O ATOM 997 CB MET B 658 -8.971 -1.166 -1.471 1.00 43.02 C ATOM 998 CG MET B 658 -10.189 -0.308 -1.169 1.00 20.30 C ATOM 999 SD MET B 658 -10.974 0.333 -2.660 1.00 30.05 S ATOM 1000 CE MET B 658 -9.541 0.851 -3.601 1.00 31.05 C ATOM 0 H MET B 658 -7.777 -0.306 0.505 1.00 41.44 H new ATOM 0 HA MET B 658 -9.452 -2.505 0.141 1.00 44.02 H new ATOM 0 HB2 MET B 658 -8.134 -0.517 -1.729 1.00 43.02 H new ATOM 0 HB3 MET B 658 -9.179 -1.782 -2.346 1.00 43.02 H new ATOM 0 HG2 MET B 658 -10.913 -0.897 -0.606 1.00 20.30 H new ATOM 0 HG3 MET B 658 -9.893 0.525 -0.532 1.00 20.30 H new ATOM 0 HE1 MET B 658 -9.799 1.717 -4.210 1.00 31.05 H new ATOM 0 HE2 MET B 658 -8.734 1.116 -2.918 1.00 31.05 H new ATOM 0 HE3 MET B 658 -9.217 0.036 -4.248 1.00 31.05 H new ATOM 1010 N LEU B 659 -6.469 -2.867 -1.253 1.00 63.51 N ATOM 1011 CA LEU B 659 -5.531 -3.858 -1.770 1.00 41.34 C ATOM 1012 C LEU B 659 -5.318 -4.983 -0.762 1.00 33.10 C ATOM 1013 O LEU B 659 -5.404 -6.161 -1.104 1.00 51.20 O ATOM 1014 CB LEU B 659 -4.193 -3.198 -2.106 1.00 32.44 C ATOM 1015 CG LEU B 659 -4.180 -2.297 -3.341 1.00 2.44 C ATOM 1016 CD1 LEU B 659 -2.765 -1.834 -3.649 1.00 64.15 C ATOM 1017 CD2 LEU B 659 -4.779 -3.024 -4.536 1.00 25.52 C ATOM 0 H LEU B 659 -6.114 -1.911 -1.252 1.00 63.51 H new ATOM 0 HA LEU B 659 -5.956 -4.284 -2.679 1.00 41.34 H new ATOM 0 HB2 LEU B 659 -3.876 -2.607 -1.247 1.00 32.44 H new ATOM 0 HB3 LEU B 659 -3.449 -3.982 -2.245 1.00 32.44 H new ATOM 0 HG LEU B 659 -4.790 -1.418 -3.133 1.00 2.44 H new ATOM 0 HD11 LEU B 659 -2.776 -1.194 -4.531 1.00 64.15 H new ATOM 0 HD12 LEU B 659 -2.372 -1.275 -2.800 1.00 64.15 H new ATOM 0 HD13 LEU B 659 -2.131 -2.701 -3.837 1.00 64.15 H new ATOM 0 HD21 LEU B 659 -4.762 -2.368 -5.407 1.00 25.52 H new ATOM 0 HD22 LEU B 659 -4.196 -3.921 -4.746 1.00 25.52 H new ATOM 0 HD23 LEU B 659 -5.808 -3.304 -4.313 1.00 25.52 H new ATOM 1029 N GLY B 660 -5.040 -4.609 0.484 1.00 63.11 N ATOM 1030 CA GLY B 660 -4.820 -5.598 1.523 1.00 11.01 C ATOM 1031 C GLY B 660 -6.031 -6.482 1.748 1.00 64.31 C ATOM 1032 O GLY B 660 -5.926 -7.707 1.724 1.00 3.41 O ATOM 0 H GLY B 660 -4.963 -3.640 0.792 1.00 63.11 H new ATOM 0 HA2 GLY B 660 -3.966 -6.219 1.254 1.00 11.01 H new ATOM 0 HA3 GLY B 660 -4.566 -5.092 2.454 1.00 11.01 H new ATOM 1036 N GLY B 661 -7.185 -5.858 1.968 1.00 22.50 N ATOM 1037 CA GLY B 661 -8.403 -6.612 2.197 1.00 3.20 C ATOM 1038 C GLY B 661 -8.842 -7.391 0.972 1.00 75.33 C ATOM 1039 O GLY B 661 -9.438 -8.463 1.089 1.00 21.44 O ATOM 0 H GLY B 661 -7.297 -4.844 1.992 1.00 22.50 H new ATOM 0 HA2 GLY B 661 -8.249 -7.302 3.027 1.00 3.20 H new ATOM 0 HA3 GLY B 661 -9.199 -5.929 2.494 1.00 3.20 H new ATOM 1043 N THR B 662 -8.546 -6.853 -0.207 1.00 40.21 N ATOM 1044 CA THR B 662 -8.916 -7.503 -1.458 1.00 55.34 C ATOM 1045 C THR B 662 -8.029 -8.713 -1.731 1.00 71.51 C ATOM 1046 O THR B 662 -8.522 -9.810 -1.998 1.00 14.54 O ATOM 1047 CB THR B 662 -8.818 -6.530 -2.647 1.00 62.22 C ATOM 1048 OG1 THR B 662 -9.802 -5.498 -2.519 1.00 55.53 O ATOM 1049 CG2 THR B 662 -9.015 -7.264 -3.965 1.00 2.31 C ATOM 0 H THR B 662 -8.051 -5.969 -0.322 1.00 40.21 H new ATOM 0 HA THR B 662 -9.950 -7.830 -1.351 1.00 55.34 H new ATOM 0 HB THR B 662 -7.823 -6.085 -2.642 1.00 62.22 H new ATOM 0 HG1 THR B 662 -9.481 -4.815 -1.894 1.00 55.53 H new ATOM 0 HG21 THR B 662 -8.941 -6.556 -4.790 1.00 2.31 H new ATOM 0 HG22 THR B 662 -8.246 -8.029 -4.074 1.00 2.31 H new ATOM 0 HG23 THR B 662 -9.999 -7.734 -3.976 1.00 2.31 H new ATOM 1057 N PHE B 663 -6.718 -8.508 -1.663 1.00 65.41 N ATOM 1058 CA PHE B 663 -5.762 -9.582 -1.904 1.00 44.15 C ATOM 1059 C PHE B 663 -6.013 -10.755 -0.962 1.00 13.53 C ATOM 1060 O PHE B 663 -6.205 -11.890 -1.402 1.00 75.13 O ATOM 1061 CB PHE B 663 -4.331 -9.070 -1.728 1.00 21.14 C ATOM 1062 CG PHE B 663 -3.344 -9.716 -2.657 1.00 55.15 C ATOM 1063 CD1 PHE B 663 -3.232 -11.097 -2.717 1.00 65.41 C ATOM 1064 CD2 PHE B 663 -2.527 -8.945 -3.467 1.00 42.44 C ATOM 1065 CE1 PHE B 663 -2.325 -11.695 -3.571 1.00 63.34 C ATOM 1066 CE2 PHE B 663 -1.618 -9.539 -4.323 1.00 1.23 C ATOM 1067 CZ PHE B 663 -1.516 -10.915 -4.374 1.00 71.13 C ATOM 0 H PHE B 663 -6.293 -7.607 -1.443 1.00 65.41 H new ATOM 0 HA PHE B 663 -5.893 -9.927 -2.930 1.00 44.15 H new ATOM 0 HB2 PHE B 663 -4.317 -7.992 -1.889 1.00 21.14 H new ATOM 0 HB3 PHE B 663 -4.016 -9.243 -0.699 1.00 21.14 H new ATOM 0 HD1 PHE B 663 -3.860 -11.712 -2.090 1.00 65.41 H new ATOM 0 HD2 PHE B 663 -2.601 -7.868 -3.430 1.00 42.44 H new ATOM 0 HE1 PHE B 663 -2.249 -12.772 -3.611 1.00 63.34 H new ATOM 0 HE2 PHE B 663 -0.988 -8.927 -4.951 1.00 1.23 H new ATOM 0 HZ PHE B 663 -0.805 -11.380 -5.040 1.00 71.13 H new ATOM 1077 N LEU B 664 -6.012 -10.474 0.337 1.00 64.24 N ATOM 1078 CA LEU B 664 -6.240 -11.505 1.343 1.00 75.44 C ATOM 1079 C LEU B 664 -7.578 -12.201 1.117 1.00 35.31 C ATOM 1080 O LEU B 664 -7.665 -13.429 1.152 1.00 15.44 O ATOM 1081 CB LEU B 664 -6.199 -10.895 2.745 1.00 52.43 C ATOM 1082 CG LEU B 664 -4.860 -10.299 3.179 1.00 53.34 C ATOM 1083 CD1 LEU B 664 -4.853 -10.037 4.678 1.00 64.02 C ATOM 1084 CD2 LEU B 664 -3.714 -11.223 2.793 1.00 12.22 C ATOM 0 H LEU B 664 -5.856 -9.541 0.718 1.00 64.24 H new ATOM 0 HA LEU B 664 -5.447 -12.247 1.253 1.00 75.44 H new ATOM 0 HB2 LEU B 664 -6.957 -10.114 2.802 1.00 52.43 H new ATOM 0 HB3 LEU B 664 -6.481 -11.665 3.463 1.00 52.43 H new ATOM 0 HG LEU B 664 -4.724 -9.348 2.663 1.00 53.34 H new ATOM 0 HD11 LEU B 664 -3.892 -9.613 4.969 1.00 64.02 H new ATOM 0 HD12 LEU B 664 -5.650 -9.336 4.929 1.00 64.02 H new ATOM 0 HD13 LEU B 664 -5.012 -10.974 5.212 1.00 64.02 H new ATOM 0 HD21 LEU B 664 -2.769 -10.782 3.110 1.00 12.22 H new ATOM 0 HD22 LEU B 664 -3.846 -12.189 3.280 1.00 12.22 H new ATOM 0 HD23 LEU B 664 -3.706 -11.360 1.712 1.00 12.22 H new ATOM 1096 N TYR B 665 -8.618 -11.409 0.882 1.00 72.33 N ATOM 1097 CA TYR B 665 -9.952 -11.948 0.650 1.00 2.21 C ATOM 1098 C TYR B 665 -9.967 -12.857 -0.576 1.00 34.15 C ATOM 1099 O TYR B 665 -10.467 -13.981 -0.522 1.00 1.11 O ATOM 1100 CB TYR B 665 -10.960 -10.812 0.468 1.00 53.03 C ATOM 1101 CG TYR B 665 -12.259 -11.250 -0.169 1.00 42.24 C ATOM 1102 CD1 TYR B 665 -12.416 -11.240 -1.550 1.00 22.32 C ATOM 1103 CD2 TYR B 665 -13.329 -11.677 0.608 1.00 14.22 C ATOM 1104 CE1 TYR B 665 -13.601 -11.639 -2.138 1.00 13.13 C ATOM 1105 CE2 TYR B 665 -14.517 -12.079 0.029 1.00 71.13 C ATOM 1106 CZ TYR B 665 -14.649 -12.058 -1.343 1.00 63.33 C ATOM 1107 OH TYR B 665 -15.830 -12.457 -1.925 1.00 31.12 O ATOM 0 H TYR B 665 -8.563 -10.391 0.847 1.00 72.33 H new ATOM 0 HA TYR B 665 -10.234 -12.539 1.522 1.00 2.21 H new ATOM 0 HB2 TYR B 665 -11.174 -10.368 1.440 1.00 53.03 H new ATOM 0 HB3 TYR B 665 -10.509 -10.032 -0.146 1.00 53.03 H new ATOM 0 HD1 TYR B 665 -11.597 -10.915 -2.175 1.00 22.32 H new ATOM 0 HD2 TYR B 665 -13.230 -11.695 1.683 1.00 14.22 H new ATOM 0 HE1 TYR B 665 -13.707 -11.623 -3.213 1.00 13.13 H new ATOM 0 HE2 TYR B 665 -15.338 -12.408 0.648 1.00 71.13 H new ATOM 0 HH TYR B 665 -16.465 -12.723 -1.227 1.00 31.12 H new ATOM 1117 N TRP B 666 -9.416 -12.361 -1.677 1.00 72.54 N ATOM 1118 CA TRP B 666 -9.365 -13.128 -2.917 1.00 33.21 C ATOM 1119 C TRP B 666 -8.655 -14.461 -2.704 1.00 2.52 C ATOM 1120 O TRP B 666 -9.183 -15.517 -3.053 1.00 73.54 O ATOM 1121 CB TRP B 666 -8.652 -12.326 -4.007 1.00 20.22 C ATOM 1122 CG TRP B 666 -9.253 -12.509 -5.368 1.00 4.42 C ATOM 1123 CD1 TRP B 666 -10.274 -11.787 -5.917 1.00 2.33 C ATOM 1124 CD2 TRP B 666 -8.872 -13.479 -6.350 1.00 34.42 C ATOM 1125 NE1 TRP B 666 -10.550 -12.250 -7.181 1.00 45.11 N ATOM 1126 CE2 TRP B 666 -9.702 -13.287 -7.470 1.00 3.43 C ATOM 1127 CE3 TRP B 666 -7.907 -14.490 -6.392 1.00 23.13 C ATOM 1128 CZ2 TRP B 666 -9.598 -14.068 -8.618 1.00 63.14 C ATOM 1129 CZ3 TRP B 666 -7.804 -15.265 -7.532 1.00 0.41 C ATOM 1130 CH2 TRP B 666 -8.645 -15.050 -8.632 1.00 54.31 C ATOM 0 H TRP B 666 -8.998 -11.432 -1.737 1.00 72.54 H new ATOM 0 HA TRP B 666 -10.389 -13.329 -3.233 1.00 33.21 H new ATOM 0 HB2 TRP B 666 -8.678 -11.268 -3.745 1.00 20.22 H new ATOM 0 HB3 TRP B 666 -7.603 -12.621 -4.038 1.00 20.22 H new ATOM 0 HD1 TRP B 666 -10.789 -10.972 -5.430 1.00 2.33 H new ATOM 0 HE1 TRP B 666 -11.269 -11.882 -7.803 1.00 45.11 H new ATOM 0 HE3 TRP B 666 -7.254 -14.662 -5.549 1.00 23.13 H new ATOM 0 HZ2 TRP B 666 -10.246 -13.905 -9.467 1.00 63.14 H new ATOM 0 HZ3 TRP B 666 -7.063 -16.049 -7.576 1.00 0.41 H new ATOM 0 HH2 TRP B 666 -8.539 -15.672 -9.509 1.00 54.31 H new ATOM 1141 N ARG B 667 -7.459 -14.405 -2.128 1.00 22.50 N ATOM 1142 CA ARG B 667 -6.677 -15.608 -1.870 1.00 21.03 C ATOM 1143 C ARG B 667 -7.506 -16.642 -1.113 1.00 20.31 C ATOM 1144 O ARG B 667 -7.624 -17.790 -1.537 1.00 63.25 O ATOM 1145 CB ARG B 667 -5.419 -15.264 -1.072 1.00 21.54 C ATOM 1146 CG ARG B 667 -4.398 -14.459 -1.861 1.00 72.01 C ATOM 1147 CD ARG B 667 -3.251 -13.995 -0.978 1.00 41.04 C ATOM 1148 NE ARG B 667 -2.627 -15.106 -0.263 1.00 2.41 N ATOM 1149 CZ ARG B 667 -1.890 -14.954 0.832 1.00 43.42 C ATOM 1150 NH1 ARG B 667 -1.684 -13.745 1.334 1.00 11.54 N ATOM 1151 NH2 ARG B 667 -1.356 -16.014 1.426 1.00 20.33 N ATOM 0 H ARG B 667 -7.010 -13.539 -1.831 1.00 22.50 H new ATOM 0 HA ARG B 667 -6.384 -16.033 -2.830 1.00 21.03 H new ATOM 0 HB2 ARG B 667 -5.705 -14.701 -0.184 1.00 21.54 H new ATOM 0 HB3 ARG B 667 -4.953 -16.188 -0.728 1.00 21.54 H new ATOM 0 HG2 ARG B 667 -4.007 -15.066 -2.678 1.00 72.01 H new ATOM 0 HG3 ARG B 667 -4.885 -13.594 -2.311 1.00 72.01 H new ATOM 0 HD2 ARG B 667 -2.503 -13.492 -1.590 1.00 41.04 H new ATOM 0 HD3 ARG B 667 -3.620 -13.263 -0.260 1.00 41.04 H new ATOM 0 HE ARG B 667 -2.765 -16.050 -0.624 1.00 2.41 H new ATOM 0 HH11 ARG B 667 -2.092 -12.928 0.880 1.00 11.54 H new ATOM 0 HH12 ARG B 667 -1.118 -13.632 2.175 1.00 11.54 H new ATOM 0 HH21 ARG B 667 -1.511 -16.946 1.042 1.00 20.33 H new ATOM 0 HH22 ARG B 667 -0.790 -15.897 2.267 1.00 20.33 H new ATOM 1165 N GLY B 668 -8.078 -16.224 0.012 1.00 53.12 N ATOM 1166 CA GLY B 668 -8.887 -17.126 0.812 1.00 43.30 C ATOM 1167 C GLY B 668 -10.094 -17.646 0.056 1.00 25.24 C ATOM 1168 O GLY B 668 -10.531 -18.776 0.274 1.00 12.11 O ATOM 0 H GLY B 668 -7.996 -15.278 0.384 1.00 53.12 H new ATOM 0 HA2 GLY B 668 -8.275 -17.968 1.136 1.00 43.30 H new ATOM 0 HA3 GLY B 668 -9.221 -16.609 1.712 1.00 43.30 H new ATOM 1172 N ARG B 669 -10.634 -16.820 -0.834 1.00 44.20 N ATOM 1173 CA ARG B 669 -11.799 -17.202 -1.622 1.00 21.21 C ATOM 1174 C ARG B 669 -11.446 -18.307 -2.614 1.00 21.13 C ATOM 1175 O ARG B 669 -12.001 -19.404 -2.559 1.00 53.33 O ATOM 1176 CB ARG B 669 -12.356 -15.988 -2.370 1.00 52.35 C ATOM 1177 CG ARG B 669 -13.675 -15.481 -1.812 1.00 60.02 C ATOM 1178 CD ARG B 669 -14.857 -16.225 -2.414 1.00 23.15 C ATOM 1179 NE ARG B 669 -15.144 -17.467 -1.703 1.00 73.41 N ATOM 1180 CZ ARG B 669 -16.197 -18.234 -1.958 1.00 13.35 C ATOM 1181 NH1 ARG B 669 -17.061 -17.888 -2.902 1.00 4.12 N ATOM 1182 NH2 ARG B 669 -16.390 -19.351 -1.267 1.00 23.22 N ATOM 0 H ARG B 669 -10.283 -15.882 -1.027 1.00 44.20 H new ATOM 0 HA ARG B 669 -12.560 -17.580 -0.940 1.00 21.21 H new ATOM 0 HB2 ARG B 669 -11.623 -15.182 -2.335 1.00 52.35 H new ATOM 0 HB3 ARG B 669 -12.492 -16.249 -3.419 1.00 52.35 H new ATOM 0 HG2 ARG B 669 -13.683 -15.600 -0.728 1.00 60.02 H new ATOM 0 HG3 ARG B 669 -13.772 -14.415 -2.017 1.00 60.02 H new ATOM 0 HD2 ARG B 669 -15.738 -15.583 -2.392 1.00 23.15 H new ATOM 0 HD3 ARG B 669 -14.650 -16.447 -3.461 1.00 23.15 H new ATOM 0 HE ARG B 669 -14.500 -17.762 -0.969 1.00 73.41 H new ATOM 0 HH11 ARG B 669 -16.918 -17.030 -3.435 1.00 4.12 H new ATOM 0 HH12 ARG B 669 -17.869 -18.480 -3.095 1.00 4.12 H new ATOM 0 HH21 ARG B 669 -15.729 -19.621 -0.539 1.00 23.22 H new ATOM 0 HH22 ARG B 669 -17.200 -19.939 -1.464 1.00 23.22 H new ATOM 1196 N ARG B 670 -10.522 -18.007 -3.521 1.00 32.13 N ATOM 1197 CA ARG B 670 -10.097 -18.973 -4.526 1.00 72.43 C ATOM 1198 C ARG B 670 -8.846 -19.718 -4.069 1.00 74.44 C ATOM 1199 O ARG B 670 -7.975 -20.045 -4.876 1.00 41.42 O ATOM 1200 CB ARG B 670 -9.826 -18.271 -5.858 1.00 41.51 C ATOM 1201 CG ARG B 670 -10.882 -17.242 -6.228 1.00 2.50 C ATOM 1202 CD ARG B 670 -11.309 -17.381 -7.681 1.00 11.35 C ATOM 1203 NE ARG B 670 -12.716 -17.037 -7.873 1.00 62.22 N ATOM 1204 CZ ARG B 670 -13.721 -17.835 -7.531 1.00 11.01 C ATOM 1205 NH1 ARG B 670 -13.477 -19.016 -6.981 1.00 64.35 N ATOM 1206 NH2 ARG B 670 -14.974 -17.450 -7.737 1.00 50.44 N ATOM 0 H ARG B 670 -10.054 -17.103 -3.580 1.00 32.13 H new ATOM 0 HA ARG B 670 -10.902 -19.696 -4.661 1.00 72.43 H new ATOM 0 HB2 ARG B 670 -8.854 -17.781 -5.810 1.00 41.51 H new ATOM 0 HB3 ARG B 670 -9.767 -19.019 -6.648 1.00 41.51 H new ATOM 0 HG2 ARG B 670 -11.750 -17.360 -5.579 1.00 2.50 H new ATOM 0 HG3 ARG B 670 -10.490 -16.239 -6.057 1.00 2.50 H new ATOM 0 HD2 ARG B 670 -10.690 -16.736 -8.304 1.00 11.35 H new ATOM 0 HD3 ARG B 670 -11.137 -18.405 -8.013 1.00 11.35 H new ATOM 0 HE ARG B 670 -12.939 -16.134 -8.293 1.00 62.22 H new ATOM 0 HH11 ARG B 670 -12.515 -19.314 -6.819 1.00 64.35 H new ATOM 0 HH12 ARG B 670 -14.251 -19.627 -6.719 1.00 64.35 H new ATOM 0 HH21 ARG B 670 -15.166 -16.541 -8.158 1.00 50.44 H new ATOM 0 HH22 ARG B 670 -15.746 -18.063 -7.474 1.00 50.44 H new ATOM 1220 N HIS B 671 -8.761 -19.982 -2.768 1.00 4.33 N ATOM 1221 CA HIS B 671 -7.617 -20.688 -2.204 1.00 35.43 C ATOM 1222 C HIS B 671 -7.378 -22.007 -2.933 1.00 15.30 C ATOM 1223 O HIS B 671 -6.247 -22.488 -3.014 1.00 13.51 O ATOM 1224 CB HIS B 671 -7.835 -20.947 -0.713 1.00 3.31 C ATOM 1225 CG HIS B 671 -8.912 -21.949 -0.431 1.00 60.13 C ATOM 1226 ND1 HIS B 671 -8.650 -23.244 -0.035 1.00 52.32 N ATOM 1227 CD2 HIS B 671 -10.260 -21.841 -0.490 1.00 32.11 C ATOM 1228 CE1 HIS B 671 -9.791 -23.889 0.138 1.00 32.53 C ATOM 1229 NE2 HIS B 671 -10.783 -23.059 -0.132 1.00 33.14 N ATOM 0 H HIS B 671 -9.471 -19.717 -2.085 1.00 4.33 H new ATOM 0 HA HIS B 671 -6.736 -20.059 -2.330 1.00 35.43 H new ATOM 0 HB2 HIS B 671 -6.901 -21.296 -0.273 1.00 3.31 H new ATOM 0 HB3 HIS B 671 -8.087 -20.007 -0.222 1.00 3.31 H new ATOM 0 HD2 HIS B 671 -10.820 -20.960 -0.767 1.00 32.11 H new ATOM 0 HE1 HIS B 671 -9.895 -24.919 0.447 1.00 32.53 H new ATOM 0 HE2 HIS B 671 -11.776 -23.286 -0.083 1.00 33.14 H new ATOM 1237 N HIS B 672 -8.451 -22.588 -3.461 1.00 73.10 N ATOM 1238 CA HIS B 672 -8.359 -23.853 -4.182 1.00 23.15 C ATOM 1239 C HIS B 672 -7.762 -23.643 -5.570 1.00 24.23 C ATOM 1240 O HIS B 672 -6.899 -24.404 -6.008 1.00 72.14 O ATOM 1241 CB HIS B 672 -9.740 -24.499 -4.300 1.00 34.21 C ATOM 1242 CG HIS B 672 -9.921 -25.689 -3.409 1.00 2.21 C ATOM 1243 ND1 HIS B 672 -11.014 -25.853 -2.586 1.00 52.51 N ATOM 1244 CD2 HIS B 672 -9.141 -26.779 -3.218 1.00 14.12 C ATOM 1245 CE1 HIS B 672 -10.898 -26.991 -1.925 1.00 14.01 C ATOM 1246 NE2 HIS B 672 -9.770 -27.573 -2.291 1.00 10.35 N ATOM 0 H HIS B 672 -9.394 -22.203 -3.403 1.00 73.10 H new ATOM 0 HA HIS B 672 -7.703 -24.517 -3.620 1.00 23.15 H new ATOM 0 HB2 HIS B 672 -10.501 -23.757 -4.060 1.00 34.21 H new ATOM 0 HB3 HIS B 672 -9.904 -24.801 -5.334 1.00 34.21 H new ATOM 0 HD2 HIS B 672 -8.199 -26.986 -3.704 1.00 14.12 H new ATOM 0 HE1 HIS B 672 -11.605 -27.380 -1.207 1.00 14.01 H new ATOM 0 HE2 HIS B 672 -9.423 -28.466 -1.942 1.00 10.35 H new ATOM 1254 N HIS B 673 -8.229 -22.606 -6.259 1.00 64.15 N ATOM 1255 CA HIS B 673 -7.741 -22.297 -7.599 1.00 3.24 C ATOM 1256 C HIS B 673 -6.505 -21.405 -7.535 1.00 32.34 C ATOM 1257 O HIS B 673 -6.078 -20.997 -6.455 1.00 33.51 O ATOM 1258 CB HIS B 673 -8.837 -21.612 -8.418 1.00 74.10 C ATOM 1259 CG HIS B 673 -10.074 -22.441 -8.573 1.00 44.54 C ATOM 1260 ND1 HIS B 673 -11.271 -21.929 -9.030 1.00 30.41 N ATOM 1261 CD2 HIS B 673 -10.297 -23.754 -8.332 1.00 64.24 C ATOM 1262 CE1 HIS B 673 -12.176 -22.890 -9.061 1.00 73.14 C ATOM 1263 NE2 HIS B 673 -11.610 -24.009 -8.643 1.00 3.10 N ATOM 0 H HIS B 673 -8.944 -21.966 -5.912 1.00 64.15 H new ATOM 0 HA HIS B 673 -7.466 -23.234 -8.084 1.00 3.24 H new ATOM 0 HB2 HIS B 673 -9.100 -20.668 -7.941 1.00 74.10 H new ATOM 0 HB3 HIS B 673 -8.444 -21.371 -9.406 1.00 74.10 H new ATOM 0 HD2 HIS B 673 -9.576 -24.469 -7.963 1.00 64.24 H new ATOM 0 HE1 HIS B 673 -13.204 -22.780 -9.374 1.00 73.14 H new ATOM 0 HE2 HIS B 673 -12.073 -24.914 -8.564 1.00 3.10 H new ATOM 1271 N HIS B 674 -5.936 -21.107 -8.698 1.00 71.35 N ATOM 1272 CA HIS B 674 -4.747 -20.263 -8.773 1.00 45.33 C ATOM 1273 C HIS B 674 -4.866 -19.260 -9.916 1.00 20.03 C ATOM 1274 O HIS B 674 -5.860 -19.246 -10.644 1.00 33.12 O ATOM 1275 CB HIS B 674 -3.497 -21.123 -8.963 1.00 54.30 C ATOM 1276 CG HIS B 674 -3.627 -22.139 -10.055 1.00 10.13 C ATOM 1277 ND1 HIS B 674 -3.672 -21.803 -11.392 1.00 44.32 N ATOM 1278 CD2 HIS B 674 -3.720 -23.488 -10.003 1.00 2.33 C ATOM 1279 CE1 HIS B 674 -3.789 -22.904 -12.115 1.00 22.44 C ATOM 1280 NE2 HIS B 674 -3.821 -23.939 -11.297 1.00 35.21 N ATOM 0 H HIS B 674 -6.278 -21.436 -9.601 1.00 71.35 H new ATOM 0 HA HIS B 674 -4.662 -19.713 -7.836 1.00 45.33 H new ATOM 0 HB2 HIS B 674 -2.649 -20.473 -9.182 1.00 54.30 H new ATOM 0 HB3 HIS B 674 -3.273 -21.635 -8.027 1.00 54.30 H new ATOM 0 HD2 HIS B 674 -3.716 -24.097 -9.111 1.00 2.33 H new ATOM 0 HE1 HIS B 674 -3.848 -22.949 -13.192 1.00 22.44 H new ATOM 0 HE2 HIS B 674 -3.907 -24.915 -11.579 1.00 35.21 H new ATOM 1288 N HIS B 675 -3.847 -18.419 -10.068 1.00 1.22 N ATOM 1289 CA HIS B 675 -3.838 -17.411 -11.122 1.00 34.51 C ATOM 1290 C HIS B 675 -2.638 -17.601 -12.044 1.00 64.24 C ATOM 1291 O HIS B 675 -2.789 -17.966 -13.211 1.00 55.12 O ATOM 1292 CB HIS B 675 -3.812 -16.008 -10.514 1.00 44.31 C ATOM 1293 CG HIS B 675 -3.626 -14.920 -11.527 1.00 73.21 C ATOM 1294 ND1 HIS B 675 -2.889 -13.781 -11.281 1.00 41.14 N ATOM 1295 CD2 HIS B 675 -4.083 -14.804 -12.796 1.00 22.23 C ATOM 1296 CE1 HIS B 675 -2.904 -13.010 -12.353 1.00 62.33 C ATOM 1297 NE2 HIS B 675 -3.620 -13.608 -13.287 1.00 4.45 N ATOM 0 H HIS B 675 -3.017 -18.416 -9.475 1.00 1.22 H new ATOM 0 HA HIS B 675 -4.748 -17.527 -11.710 1.00 34.51 H new ATOM 0 HB2 HIS B 675 -4.744 -15.837 -9.976 1.00 44.31 H new ATOM 0 HB3 HIS B 675 -3.007 -15.953 -9.782 1.00 44.31 H new ATOM 0 HD2 HIS B 675 -4.697 -15.519 -13.324 1.00 22.23 H new ATOM 0 HE1 HIS B 675 -2.414 -12.053 -12.449 1.00 62.33 H new ATOM 0 HE2 HIS B 675 -3.800 -13.241 -14.222 1.00 4.45 H new ATOM 1305 N HIS B 676 -1.444 -17.350 -11.515 1.00 13.23 N ATOM 1306 CA HIS B 676 -0.218 -17.493 -12.291 1.00 75.13 C ATOM 1307 C HIS B 676 0.845 -18.243 -11.493 1.00 32.31 C ATOM 1308 O HIS B 676 1.533 -17.658 -10.654 1.00 42.42 O ATOM 1309 CB HIS B 676 0.312 -16.120 -12.704 1.00 71.54 C ATOM 1310 CG HIS B 676 0.186 -15.846 -14.171 1.00 51.15 C ATOM 1311 ND1 HIS B 676 -1.026 -15.654 -14.799 1.00 3.23 N ATOM 1312 CD2 HIS B 676 1.129 -15.733 -15.135 1.00 33.43 C ATOM 1313 CE1 HIS B 676 -0.823 -15.434 -16.086 1.00 44.31 C ATOM 1314 NE2 HIS B 676 0.476 -15.476 -16.316 1.00 53.05 N ATOM 0 H HIS B 676 -1.300 -17.047 -10.552 1.00 13.23 H new ATOM 0 HA HIS B 676 -0.449 -18.069 -13.187 1.00 75.13 H new ATOM 0 HB2 HIS B 676 -0.227 -15.350 -12.151 1.00 71.54 H new ATOM 0 HB3 HIS B 676 1.361 -16.043 -12.417 1.00 71.54 H new ATOM 0 HD2 HIS B 676 2.196 -15.827 -15.001 1.00 33.43 H new ATOM 0 HE1 HIS B 676 -1.590 -15.251 -16.824 1.00 44.31 H new ATOM 0 HE2 HIS B 676 0.922 -15.340 -17.223 1.00 53.05 H new TER 1322 HIS B 676