USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=18 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= -0.176 K(o=-0.18,f=-1.5) USER MOD Single : A 643 THR OG1 : rot 86:sc= 0.342 USER MOD Single : A 644 MET CE :methyl -98:sc= -0.21 (180deg=-1.84!) USER MOD Single : A 647 THR OG1 : rot 71:sc= 0.511 USER MOD Single : A 657 MET CE :methyl -121:sc= -0.197 (180deg=-3.33!) USER MOD Single : A 658 MET CE :methyl -150:sc= -1.48 (180deg=-3.16!) USER MOD Single : A 662 THR OG1 : rot 79:sc= 1.17 USER MOD Single : A 665 TYR OH : rot 180:sc= 0 USER MOD Single : A 671 HIS :FLIP no HE2:sc= -0.0199 F(o=-0.58,f=-0.02) USER MOD Single : A 672 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 673 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 674 HIS : no HD1:sc= -0.0566 X(o=-0.057,f=0) USER MOD Single : A 675 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.0075) USER MOD Single : A 676 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 637 MET CE :methyl -162:sc= -0.0405 (180deg=-0.408) USER MOD Single : B 640 THR OG1 : rot 180:sc= 0 USER MOD Single : B 641 HIS : no HD1:sc= -0.171 K(o=-0.17,f=-1.4) USER MOD Single : B 643 THR OG1 : rot 88:sc= 0.355 USER MOD Single : B 644 MET CE :methyl -114:sc= -0.214 (180deg=-1.84!) USER MOD Single : B 647 THR OG1 : rot 69:sc= 0.462 USER MOD Single : B 657 MET CE :methyl -120:sc= -0.205 (180deg=-3.34!) USER MOD Single : B 658 MET CE :methyl -147:sc= -1.46 (180deg=-3.07!) USER MOD Single : B 662 THR OG1 : rot 81:sc= 1.15 USER MOD Single : B 665 TYR OH : rot 180:sc= 0 USER MOD Single : B 671 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 672 HIS : no HD1:sc= -0.264 X(o=-0.26,f=-0.054) USER MOD Single : B 673 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 674 HIS : no HD1:sc= -0.185 X(o=-0.18,f=-0.0064) USER MOD Single : B 675 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : B 676 HIS : no HD1:sc=-0.00437 X(o=-0.0044,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 637 10.613 29.880 7.186 1.00 2.31 N ATOM 2 CA MET A 637 10.587 30.213 8.605 1.00 62.43 C ATOM 3 C MET A 637 9.416 29.531 9.304 1.00 64.01 C ATOM 4 O MET A 637 9.450 29.302 10.511 1.00 15.31 O ATOM 5 CB MET A 637 10.497 31.729 8.793 1.00 3.24 C ATOM 6 CG MET A 637 9.288 32.353 8.115 1.00 22.03 C ATOM 7 SD MET A 637 7.844 32.420 9.192 1.00 64.12 S ATOM 8 CE MET A 637 7.807 34.163 9.601 1.00 22.14 C ATOM 0 HA MET A 637 11.513 29.853 9.054 1.00 62.43 H new ATOM 0 HB2 MET A 637 10.462 31.954 9.859 1.00 3.24 H new ATOM 0 HB3 MET A 637 11.403 32.190 8.400 1.00 3.24 H new ATOM 0 HG2 MET A 637 9.540 33.362 7.789 1.00 22.03 H new ATOM 0 HG3 MET A 637 9.043 31.781 7.220 1.00 22.03 H new ATOM 0 HE1 MET A 637 6.965 34.363 10.264 1.00 22.14 H new ATOM 0 HE2 MET A 637 8.736 34.439 10.100 1.00 22.14 H new ATOM 0 HE3 MET A 637 7.697 34.749 8.688 1.00 22.14 H new ATOM 18 N GLY A 638 8.380 29.209 8.534 1.00 15.31 N ATOM 19 CA GLY A 638 7.213 28.557 9.098 1.00 11.43 C ATOM 20 C GLY A 638 6.957 27.195 8.485 1.00 44.11 C ATOM 21 O GLY A 638 6.157 27.064 7.558 1.00 34.24 O ATOM 0 H GLY A 638 8.329 29.388 7.531 1.00 15.31 H new ATOM 0 HA2 GLY A 638 7.346 28.448 10.174 1.00 11.43 H new ATOM 0 HA3 GLY A 638 6.339 29.190 8.947 1.00 11.43 H new ATOM 25 N ARG A 639 7.639 26.178 9.000 1.00 74.03 N ATOM 26 CA ARG A 639 7.484 24.819 8.494 1.00 52.10 C ATOM 27 C ARG A 639 7.758 23.795 9.593 1.00 42.31 C ATOM 28 O ARG A 639 8.900 23.390 9.809 1.00 63.40 O ATOM 29 CB ARG A 639 8.427 24.581 7.314 1.00 43.43 C ATOM 30 CG ARG A 639 8.003 25.295 6.041 1.00 4.54 C ATOM 31 CD ARG A 639 8.622 26.680 5.948 1.00 64.32 C ATOM 32 NE ARG A 639 9.327 26.880 4.685 1.00 65.35 N ATOM 33 CZ ARG A 639 8.718 27.164 3.539 1.00 24.32 C ATOM 34 NH1 ARG A 639 7.398 27.283 3.498 1.00 22.11 N ATOM 35 NH2 ARG A 639 9.428 27.332 2.431 1.00 62.42 N ATOM 0 H ARG A 639 8.305 26.269 9.768 1.00 74.03 H new ATOM 0 HA ARG A 639 6.454 24.699 8.157 1.00 52.10 H new ATOM 0 HB2 ARG A 639 9.429 24.911 7.589 1.00 43.43 H new ATOM 0 HB3 ARG A 639 8.486 23.511 7.117 1.00 43.43 H new ATOM 0 HG2 ARG A 639 8.299 24.704 5.175 1.00 4.54 H new ATOM 0 HG3 ARG A 639 6.917 25.378 6.014 1.00 4.54 H new ATOM 0 HD2 ARG A 639 7.841 27.434 6.051 1.00 64.32 H new ATOM 0 HD3 ARG A 639 9.315 26.824 6.777 1.00 64.32 H new ATOM 0 HE ARG A 639 10.344 26.797 4.683 1.00 65.35 H new ATOM 0 HH11 ARG A 639 6.848 27.156 4.348 1.00 22.11 H new ATOM 0 HH12 ARG A 639 6.933 27.501 2.617 1.00 22.11 H new ATOM 0 HH21 ARG A 639 10.444 27.243 2.458 1.00 62.42 H new ATOM 0 HH22 ARG A 639 8.958 27.550 1.552 1.00 62.42 H new ATOM 49 N THR A 640 6.701 23.381 10.286 1.00 22.24 N ATOM 50 CA THR A 640 6.827 22.407 11.361 1.00 35.44 C ATOM 51 C THR A 640 5.835 21.264 11.188 1.00 41.22 C ATOM 52 O THR A 640 6.205 20.091 11.255 1.00 4.21 O ATOM 53 CB THR A 640 6.605 23.060 12.739 1.00 1.41 C ATOM 54 OG1 THR A 640 7.577 24.087 12.958 1.00 70.33 O ATOM 55 CG2 THR A 640 6.695 22.024 13.850 1.00 10.11 C ATOM 0 H THR A 640 5.748 23.706 10.121 1.00 22.24 H new ATOM 0 HA THR A 640 7.842 22.013 11.312 1.00 35.44 H new ATOM 0 HB THR A 640 5.607 23.498 12.752 1.00 1.41 H new ATOM 0 HG1 THR A 640 7.427 24.498 13.835 1.00 70.33 H new ATOM 0 HG21 THR A 640 6.535 22.509 14.813 1.00 10.11 H new ATOM 0 HG22 THR A 640 5.933 21.260 13.697 1.00 10.11 H new ATOM 0 HG23 THR A 640 7.682 21.561 13.836 1.00 10.11 H new ATOM 63 N HIS A 641 4.571 21.611 10.963 1.00 71.13 N ATOM 64 CA HIS A 641 3.525 20.613 10.777 1.00 1.53 C ATOM 65 C HIS A 641 3.780 19.785 9.521 1.00 23.42 C ATOM 66 O HIS A 641 3.140 18.755 9.303 1.00 72.03 O ATOM 67 CB HIS A 641 2.156 21.288 10.688 1.00 73.34 C ATOM 68 CG HIS A 641 1.936 22.027 9.404 1.00 34.05 C ATOM 69 ND1 HIS A 641 2.929 22.740 8.765 1.00 54.00 N ATOM 70 CD2 HIS A 641 0.828 22.162 8.639 1.00 44.21 C ATOM 71 CE1 HIS A 641 2.441 23.281 7.664 1.00 34.20 C ATOM 72 NE2 HIS A 641 1.168 22.945 7.563 1.00 13.44 N ATOM 0 H HIS A 641 4.247 22.577 10.905 1.00 71.13 H new ATOM 0 HA HIS A 641 3.537 19.946 11.639 1.00 1.53 H new ATOM 0 HB2 HIS A 641 1.379 20.532 10.800 1.00 73.34 H new ATOM 0 HB3 HIS A 641 2.048 21.983 11.521 1.00 73.34 H new ATOM 0 HD2 HIS A 641 -0.143 21.734 8.838 1.00 44.21 H new ATOM 0 HE1 HIS A 641 2.990 23.894 6.965 1.00 34.20 H new ATOM 0 HE2 HIS A 641 0.540 23.222 6.809 1.00 13.44 H new ATOM 80 N LEU A 642 4.717 20.243 8.697 1.00 53.01 N ATOM 81 CA LEU A 642 5.057 19.545 7.462 1.00 10.43 C ATOM 82 C LEU A 642 5.792 18.242 7.757 1.00 52.31 C ATOM 83 O LEU A 642 5.652 17.258 7.029 1.00 74.21 O ATOM 84 CB LEU A 642 5.917 20.439 6.568 1.00 53.30 C ATOM 85 CG LEU A 642 5.160 21.384 5.635 1.00 55.12 C ATOM 86 CD1 LEU A 642 5.995 22.619 5.332 1.00 61.13 C ATOM 87 CD2 LEU A 642 4.776 20.669 4.348 1.00 53.44 C ATOM 0 H LEU A 642 5.254 21.094 8.862 1.00 53.01 H new ATOM 0 HA LEU A 642 4.130 19.307 6.941 1.00 10.43 H new ATOM 0 HB2 LEU A 642 6.569 21.036 7.205 1.00 53.30 H new ATOM 0 HB3 LEU A 642 6.560 19.801 5.962 1.00 53.30 H new ATOM 0 HG LEU A 642 4.246 21.703 6.137 1.00 55.12 H new ATOM 0 HD11 LEU A 642 5.439 23.280 4.666 1.00 61.13 H new ATOM 0 HD12 LEU A 642 6.218 23.144 6.261 1.00 61.13 H new ATOM 0 HD13 LEU A 642 6.926 22.320 4.851 1.00 61.13 H new ATOM 0 HD21 LEU A 642 4.238 21.357 3.696 1.00 53.44 H new ATOM 0 HD22 LEU A 642 5.677 20.320 3.843 1.00 53.44 H new ATOM 0 HD23 LEU A 642 4.138 19.817 4.582 1.00 53.44 H new ATOM 99 N THR A 643 6.576 18.241 8.831 1.00 51.44 N ATOM 100 CA THR A 643 7.333 17.058 9.223 1.00 14.24 C ATOM 101 C THR A 643 6.407 15.880 9.500 1.00 53.02 C ATOM 102 O THR A 643 6.571 14.802 8.929 1.00 22.13 O ATOM 103 CB THR A 643 8.189 17.329 10.474 1.00 53.20 C ATOM 104 OG1 THR A 643 8.723 18.657 10.425 1.00 43.21 O ATOM 105 CG2 THR A 643 9.325 16.323 10.580 1.00 34.33 C ATOM 0 H THR A 643 6.703 19.046 9.445 1.00 51.44 H new ATOM 0 HA THR A 643 7.990 16.812 8.389 1.00 14.24 H new ATOM 0 HB THR A 643 7.552 17.227 11.352 1.00 53.20 H new ATOM 0 HG1 THR A 643 8.068 19.287 10.793 1.00 43.21 H new ATOM 0 HG21 THR A 643 9.916 16.534 11.471 1.00 34.33 H new ATOM 0 HG22 THR A 643 8.914 15.316 10.648 1.00 34.33 H new ATOM 0 HG23 THR A 643 9.960 16.397 9.697 1.00 34.33 H new ATOM 113 N MET A 644 5.434 16.091 10.380 1.00 3.24 N ATOM 114 CA MET A 644 4.480 15.045 10.732 1.00 4.00 C ATOM 115 C MET A 644 3.641 14.646 9.521 1.00 61.03 C ATOM 116 O MET A 644 3.504 13.462 9.214 1.00 65.30 O ATOM 117 CB MET A 644 3.568 15.517 11.865 1.00 41.41 C ATOM 118 CG MET A 644 4.309 15.811 13.159 1.00 35.23 C ATOM 119 SD MET A 644 4.521 14.345 14.188 1.00 64.52 S ATOM 120 CE MET A 644 6.082 13.721 13.569 1.00 75.10 C ATOM 0 H MET A 644 5.285 16.977 10.863 1.00 3.24 H new ATOM 0 HA MET A 644 5.042 14.173 11.067 1.00 4.00 H new ATOM 0 HB2 MET A 644 3.041 16.416 11.545 1.00 41.41 H new ATOM 0 HB3 MET A 644 2.812 14.754 12.054 1.00 41.41 H new ATOM 0 HG2 MET A 644 5.288 16.230 12.925 1.00 35.23 H new ATOM 0 HG3 MET A 644 3.763 16.569 13.721 1.00 35.23 H new ATOM 0 HE1 MET A 644 5.895 12.928 12.844 1.00 75.10 H new ATOM 0 HE2 MET A 644 6.632 14.530 13.088 1.00 75.10 H new ATOM 0 HE3 MET A 644 6.669 13.325 14.397 1.00 75.10 H new ATOM 130 N ALA A 645 3.083 15.641 8.840 1.00 45.02 N ATOM 131 CA ALA A 645 2.260 15.393 7.662 1.00 50.35 C ATOM 132 C ALA A 645 3.039 14.625 6.600 1.00 44.22 C ATOM 133 O ALA A 645 2.506 13.721 5.955 1.00 13.24 O ATOM 134 CB ALA A 645 1.741 16.704 7.095 1.00 5.13 C ATOM 0 H ALA A 645 3.186 16.626 9.083 1.00 45.02 H new ATOM 0 HA ALA A 645 1.411 14.781 7.965 1.00 50.35 H new ATOM 0 HB1 ALA A 645 1.128 16.503 6.216 1.00 5.13 H new ATOM 0 HB2 ALA A 645 1.139 17.213 7.848 1.00 5.13 H new ATOM 0 HB3 ALA A 645 2.582 17.337 6.814 1.00 5.13 H new ATOM 140 N LEU A 646 4.303 14.992 6.420 1.00 60.03 N ATOM 141 CA LEU A 646 5.157 14.338 5.434 1.00 43.12 C ATOM 142 C LEU A 646 5.347 12.863 5.770 1.00 42.15 C ATOM 143 O LEU A 646 5.280 12.000 4.893 1.00 22.31 O ATOM 144 CB LEU A 646 6.516 15.037 5.364 1.00 65.13 C ATOM 145 CG LEU A 646 6.598 16.255 4.443 1.00 50.04 C ATOM 146 CD1 LEU A 646 7.658 17.226 4.937 1.00 74.40 C ATOM 147 CD2 LEU A 646 6.892 15.824 3.014 1.00 1.22 C ATOM 0 H LEU A 646 4.759 15.739 6.944 1.00 60.03 H new ATOM 0 HA LEU A 646 4.668 14.409 4.462 1.00 43.12 H new ATOM 0 HB2 LEU A 646 6.794 15.349 6.371 1.00 65.13 H new ATOM 0 HB3 LEU A 646 7.260 14.310 5.039 1.00 65.13 H new ATOM 0 HG LEU A 646 5.634 16.763 4.457 1.00 50.04 H new ATOM 0 HD11 LEU A 646 7.702 18.087 4.270 1.00 74.40 H new ATOM 0 HD12 LEU A 646 7.405 17.560 5.943 1.00 74.40 H new ATOM 0 HD13 LEU A 646 8.628 16.729 4.953 1.00 74.40 H new ATOM 0 HD21 LEU A 646 6.947 16.704 2.373 1.00 1.22 H new ATOM 0 HD22 LEU A 646 7.843 15.292 2.983 1.00 1.22 H new ATOM 0 HD23 LEU A 646 6.097 15.167 2.661 1.00 1.22 H new ATOM 159 N THR A 647 5.582 12.578 7.047 1.00 54.50 N ATOM 160 CA THR A 647 5.780 11.207 7.500 1.00 30.31 C ATOM 161 C THR A 647 4.553 10.350 7.213 1.00 51.33 C ATOM 162 O THR A 647 4.672 9.207 6.772 1.00 1.24 O ATOM 163 CB THR A 647 6.089 11.153 9.008 1.00 75.13 C ATOM 164 OG1 THR A 647 7.263 11.920 9.296 1.00 64.52 O ATOM 165 CG2 THR A 647 6.291 9.717 9.469 1.00 3.43 C ATOM 0 H THR A 647 5.640 13.279 7.786 1.00 54.50 H new ATOM 0 HA THR A 647 6.632 10.812 6.947 1.00 30.31 H new ATOM 0 HB THR A 647 5.239 11.574 9.545 1.00 75.13 H new ATOM 0 HG1 THR A 647 7.063 12.874 9.198 1.00 64.52 H new ATOM 0 HG21 THR A 647 6.508 9.705 10.537 1.00 3.43 H new ATOM 0 HG22 THR A 647 5.385 9.142 9.276 1.00 3.43 H new ATOM 0 HG23 THR A 647 7.125 9.274 8.924 1.00 3.43 H new ATOM 173 N VAL A 648 3.375 10.909 7.467 1.00 42.40 N ATOM 174 CA VAL A 648 2.124 10.196 7.235 1.00 64.35 C ATOM 175 C VAL A 648 1.943 9.874 5.755 1.00 11.35 C ATOM 176 O VAL A 648 1.703 8.725 5.385 1.00 3.21 O ATOM 177 CB VAL A 648 0.913 11.012 7.724 1.00 3.32 C ATOM 178 CG1 VAL A 648 -0.385 10.284 7.407 1.00 74.04 C ATOM 179 CG2 VAL A 648 1.027 11.293 9.214 1.00 53.14 C ATOM 0 H VAL A 648 3.260 11.854 7.834 1.00 42.40 H new ATOM 0 HA VAL A 648 2.178 9.267 7.803 1.00 64.35 H new ATOM 0 HB VAL A 648 0.903 11.966 7.198 1.00 3.32 H new ATOM 0 HG11 VAL A 648 -1.230 10.876 7.760 1.00 74.04 H new ATOM 0 HG12 VAL A 648 -0.468 10.140 6.330 1.00 74.04 H new ATOM 0 HG13 VAL A 648 -0.389 9.314 7.904 1.00 74.04 H new ATOM 0 HG21 VAL A 648 0.163 11.871 9.542 1.00 53.14 H new ATOM 0 HG22 VAL A 648 1.063 10.350 9.760 1.00 53.14 H new ATOM 0 HG23 VAL A 648 1.937 11.860 9.409 1.00 53.14 H new ATOM 189 N ILE A 649 2.059 10.896 4.914 1.00 14.12 N ATOM 190 CA ILE A 649 1.909 10.722 3.475 1.00 42.42 C ATOM 191 C ILE A 649 2.959 9.764 2.925 1.00 73.44 C ATOM 192 O ILE A 649 2.652 8.884 2.122 1.00 74.04 O ATOM 193 CB ILE A 649 2.016 12.066 2.731 1.00 11.03 C ATOM 194 CG1 ILE A 649 0.929 13.029 3.214 1.00 4.10 C ATOM 195 CG2 ILE A 649 1.910 11.850 1.229 1.00 0.41 C ATOM 196 CD1 ILE A 649 0.961 14.373 2.520 1.00 74.22 C ATOM 0 H ILE A 649 2.256 11.854 5.205 1.00 14.12 H new ATOM 0 HA ILE A 649 0.916 10.303 3.310 1.00 42.42 H new ATOM 0 HB ILE A 649 2.989 12.508 2.947 1.00 11.03 H new ATOM 0 HG12 ILE A 649 -0.047 12.571 3.056 1.00 4.10 H new ATOM 0 HG13 ILE A 649 1.040 13.181 4.288 1.00 4.10 H new ATOM 0 HG21 ILE A 649 1.987 12.809 0.717 1.00 0.41 H new ATOM 0 HG22 ILE A 649 2.716 11.196 0.898 1.00 0.41 H new ATOM 0 HG23 ILE A 649 0.950 11.390 0.994 1.00 0.41 H new ATOM 0 HD11 ILE A 649 0.163 15.004 2.912 1.00 74.22 H new ATOM 0 HD12 ILE A 649 1.924 14.852 2.699 1.00 74.22 H new ATOM 0 HD13 ILE A 649 0.819 14.233 1.448 1.00 74.22 H new ATOM 208 N ALA A 650 4.201 9.941 3.363 1.00 34.33 N ATOM 209 CA ALA A 650 5.298 9.091 2.918 1.00 54.12 C ATOM 210 C ALA A 650 5.102 7.653 3.388 1.00 62.31 C ATOM 211 O ALA A 650 5.364 6.706 2.646 1.00 12.35 O ATOM 212 CB ALA A 650 6.627 9.635 3.421 1.00 3.03 C ATOM 0 H ALA A 650 4.473 10.666 4.027 1.00 34.33 H new ATOM 0 HA ALA A 650 5.307 9.093 1.828 1.00 54.12 H new ATOM 0 HB1 ALA A 650 7.437 8.989 3.081 1.00 3.03 H new ATOM 0 HB2 ALA A 650 6.778 10.642 3.033 1.00 3.03 H new ATOM 0 HB3 ALA A 650 6.619 9.664 4.511 1.00 3.03 H new ATOM 218 N GLY A 651 4.641 7.496 4.625 1.00 11.14 N ATOM 219 CA GLY A 651 4.420 6.170 5.171 1.00 0.45 C ATOM 220 C GLY A 651 3.431 5.364 4.353 1.00 1.40 C ATOM 221 O GLY A 651 3.710 4.225 3.975 1.00 15.22 O ATOM 0 H GLY A 651 4.417 8.263 5.259 1.00 11.14 H new ATOM 0 HA2 GLY A 651 5.369 5.636 5.217 1.00 0.45 H new ATOM 0 HA3 GLY A 651 4.054 6.258 6.194 1.00 0.45 H new ATOM 225 N LEU A 652 2.272 5.953 4.079 1.00 41.13 N ATOM 226 CA LEU A 652 1.237 5.281 3.301 1.00 52.23 C ATOM 227 C LEU A 652 1.752 4.910 1.914 1.00 70.53 C ATOM 228 O LEU A 652 1.548 3.790 1.443 1.00 23.13 O ATOM 229 CB LEU A 652 0.004 6.176 3.176 1.00 4.24 C ATOM 230 CG LEU A 652 -0.615 6.655 4.491 1.00 44.33 C ATOM 231 CD1 LEU A 652 -1.622 7.765 4.233 1.00 12.41 C ATOM 232 CD2 LEU A 652 -1.272 5.494 5.224 1.00 0.42 C ATOM 0 H LEU A 652 2.025 6.895 4.384 1.00 41.13 H new ATOM 0 HA LEU A 652 0.962 4.365 3.823 1.00 52.23 H new ATOM 0 HB2 LEU A 652 0.274 7.051 2.585 1.00 4.24 H new ATOM 0 HB3 LEU A 652 -0.758 5.635 2.615 1.00 4.24 H new ATOM 0 HG LEU A 652 0.179 7.054 5.122 1.00 44.33 H new ATOM 0 HD11 LEU A 652 -2.052 8.093 5.179 1.00 12.41 H new ATOM 0 HD12 LEU A 652 -1.122 8.605 3.751 1.00 12.41 H new ATOM 0 HD13 LEU A 652 -2.415 7.393 3.584 1.00 12.41 H new ATOM 0 HD21 LEU A 652 -1.707 5.852 6.157 1.00 0.42 H new ATOM 0 HD22 LEU A 652 -2.056 5.066 4.599 1.00 0.42 H new ATOM 0 HD23 LEU A 652 -0.524 4.731 5.442 1.00 0.42 H new ATOM 244 N VAL A 653 2.425 5.856 1.266 1.00 51.33 N ATOM 245 CA VAL A 653 2.974 5.627 -0.066 1.00 11.32 C ATOM 246 C VAL A 653 3.953 4.459 -0.063 1.00 61.52 C ATOM 247 O VAL A 653 3.825 3.524 -0.855 1.00 23.34 O ATOM 248 CB VAL A 653 3.689 6.882 -0.600 1.00 22.01 C ATOM 249 CG1 VAL A 653 4.443 6.561 -1.882 1.00 11.22 C ATOM 250 CG2 VAL A 653 2.691 8.007 -0.827 1.00 33.12 C ATOM 0 H VAL A 653 2.603 6.788 1.641 1.00 51.33 H new ATOM 0 HA VAL A 653 2.134 5.391 -0.719 1.00 11.32 H new ATOM 0 HB VAL A 653 4.412 7.213 0.146 1.00 22.01 H new ATOM 0 HG11 VAL A 653 4.942 7.459 -2.245 1.00 11.22 H new ATOM 0 HG12 VAL A 653 5.186 5.788 -1.684 1.00 11.22 H new ATOM 0 HG13 VAL A 653 3.742 6.205 -2.637 1.00 11.22 H new ATOM 0 HG21 VAL A 653 3.213 8.886 -1.204 1.00 33.12 H new ATOM 0 HG22 VAL A 653 1.944 7.689 -1.554 1.00 33.12 H new ATOM 0 HG23 VAL A 653 2.200 8.253 0.114 1.00 33.12 H new ATOM 260 N VAL A 654 4.934 4.518 0.832 1.00 63.01 N ATOM 261 CA VAL A 654 5.936 3.464 0.940 1.00 64.43 C ATOM 262 C VAL A 654 5.281 2.102 1.145 1.00 34.52 C ATOM 263 O VAL A 654 5.791 1.081 0.684 1.00 72.31 O ATOM 264 CB VAL A 654 6.913 3.733 2.100 1.00 2.24 C ATOM 265 CG1 VAL A 654 7.908 2.591 2.237 1.00 3.01 C ATOM 266 CG2 VAL A 654 7.632 5.057 1.893 1.00 73.42 C ATOM 0 H VAL A 654 5.056 5.285 1.493 1.00 63.01 H new ATOM 0 HA VAL A 654 6.492 3.459 0.002 1.00 64.43 H new ATOM 0 HB VAL A 654 6.342 3.797 3.026 1.00 2.24 H new ATOM 0 HG11 VAL A 654 8.590 2.799 3.062 1.00 3.01 H new ATOM 0 HG12 VAL A 654 7.372 1.663 2.435 1.00 3.01 H new ATOM 0 HG13 VAL A 654 8.477 2.491 1.313 1.00 3.01 H new ATOM 0 HG21 VAL A 654 8.318 5.232 2.722 1.00 73.42 H new ATOM 0 HG22 VAL A 654 8.192 5.025 0.958 1.00 73.42 H new ATOM 0 HG23 VAL A 654 6.902 5.865 1.851 1.00 73.42 H new ATOM 276 N ILE A 655 4.150 2.096 1.842 1.00 40.04 N ATOM 277 CA ILE A 655 3.425 0.860 2.109 1.00 62.50 C ATOM 278 C ILE A 655 2.862 0.265 0.822 1.00 43.33 C ATOM 279 O ILE A 655 3.090 -0.906 0.515 1.00 21.22 O ATOM 280 CB ILE A 655 2.271 1.087 3.103 1.00 75.23 C ATOM 281 CG1 ILE A 655 2.824 1.449 4.484 1.00 40.13 C ATOM 282 CG2 ILE A 655 1.392 -0.152 3.186 1.00 11.00 C ATOM 283 CD1 ILE A 655 1.895 2.322 5.297 1.00 43.21 C ATOM 0 H ILE A 655 3.716 2.933 2.232 1.00 40.04 H new ATOM 0 HA ILE A 655 4.140 0.164 2.548 1.00 62.50 H new ATOM 0 HB ILE A 655 1.661 1.917 2.747 1.00 75.23 H new ATOM 0 HG12 ILE A 655 3.025 0.532 5.038 1.00 40.13 H new ATOM 0 HG13 ILE A 655 3.778 1.963 4.361 1.00 40.13 H new ATOM 0 HG21 ILE A 655 0.581 0.024 3.893 1.00 11.00 H new ATOM 0 HG22 ILE A 655 0.976 -0.369 2.202 1.00 11.00 H new ATOM 0 HG23 ILE A 655 1.989 -1.000 3.523 1.00 11.00 H new ATOM 0 HD11 ILE A 655 2.351 2.538 6.263 1.00 43.21 H new ATOM 0 HD12 ILE A 655 1.714 3.255 4.764 1.00 43.21 H new ATOM 0 HD13 ILE A 655 0.949 1.802 5.451 1.00 43.21 H new ATOM 295 N PHE A 656 2.127 1.080 0.072 1.00 55.23 N ATOM 296 CA PHE A 656 1.531 0.634 -1.182 1.00 22.20 C ATOM 297 C PHE A 656 2.605 0.152 -2.154 1.00 74.22 C ATOM 298 O PHE A 656 2.428 -0.851 -2.843 1.00 41.21 O ATOM 299 CB PHE A 656 0.723 1.767 -1.818 1.00 64.04 C ATOM 300 CG PHE A 656 0.330 1.497 -3.243 1.00 72.41 C ATOM 301 CD1 PHE A 656 -0.079 0.233 -3.635 1.00 52.45 C ATOM 302 CD2 PHE A 656 0.372 2.507 -4.190 1.00 32.34 C ATOM 303 CE1 PHE A 656 -0.442 -0.019 -4.944 1.00 44.05 C ATOM 304 CE2 PHE A 656 0.011 2.261 -5.502 1.00 13.41 C ATOM 305 CZ PHE A 656 -0.396 0.996 -5.879 1.00 24.42 C ATOM 0 H PHE A 656 1.930 2.052 0.311 1.00 55.23 H new ATOM 0 HA PHE A 656 0.864 -0.200 -0.962 1.00 22.20 H new ATOM 0 HB2 PHE A 656 -0.177 1.937 -1.227 1.00 64.04 H new ATOM 0 HB3 PHE A 656 1.308 2.686 -1.779 1.00 64.04 H new ATOM 0 HD1 PHE A 656 -0.115 -0.565 -2.908 1.00 52.45 H new ATOM 0 HD2 PHE A 656 0.690 3.498 -3.900 1.00 32.34 H new ATOM 0 HE1 PHE A 656 -0.761 -1.009 -5.236 1.00 44.05 H new ATOM 0 HE2 PHE A 656 0.047 3.057 -6.231 1.00 13.41 H new ATOM 0 HZ PHE A 656 -0.678 0.801 -6.903 1.00 24.42 H new ATOM 315 N MET A 657 3.719 0.876 -2.200 1.00 60.31 N ATOM 316 CA MET A 657 4.822 0.522 -3.086 1.00 72.40 C ATOM 317 C MET A 657 5.531 -0.736 -2.596 1.00 30.32 C ATOM 318 O MET A 657 5.666 -1.712 -3.334 1.00 4.52 O ATOM 319 CB MET A 657 5.819 1.679 -3.182 1.00 0.21 C ATOM 320 CG MET A 657 5.231 2.939 -3.797 1.00 51.32 C ATOM 321 SD MET A 657 6.490 4.023 -4.496 1.00 2.14 S ATOM 322 CE MET A 657 7.287 4.620 -3.007 1.00 62.42 C ATOM 0 H MET A 657 3.881 1.710 -1.635 1.00 60.31 H new ATOM 0 HA MET A 657 4.411 0.323 -4.076 1.00 72.40 H new ATOM 0 HB2 MET A 657 6.191 1.911 -2.184 1.00 0.21 H new ATOM 0 HB3 MET A 657 6.676 1.361 -3.775 1.00 0.21 H new ATOM 0 HG2 MET A 657 4.522 2.661 -4.577 1.00 51.32 H new ATOM 0 HG3 MET A 657 4.671 3.483 -3.036 1.00 51.32 H new ATOM 0 HE1 MET A 657 7.216 5.707 -2.967 1.00 62.42 H new ATOM 0 HE2 MET A 657 6.795 4.192 -2.134 1.00 62.42 H new ATOM 0 HE3 MET A 657 8.336 4.325 -3.013 1.00 62.42 H new ATOM 332 N MET A 658 5.985 -0.706 -1.347 1.00 30.21 N ATOM 333 CA MET A 658 6.680 -1.845 -0.758 1.00 4.14 C ATOM 334 C MET A 658 5.812 -3.098 -0.812 1.00 0.14 C ATOM 335 O MET A 658 6.237 -4.139 -1.313 1.00 73.54 O ATOM 336 CB MET A 658 7.067 -1.541 0.690 1.00 70.41 C ATOM 337 CG MET A 658 8.274 -0.625 0.816 1.00 74.13 C ATOM 338 SD MET A 658 9.058 -0.728 2.436 1.00 51.33 S ATOM 339 CE MET A 658 7.623 -0.712 3.508 1.00 71.24 C ATOM 0 H MET A 658 5.884 0.095 -0.723 1.00 30.21 H new ATOM 0 HA MET A 658 7.585 -2.026 -1.338 1.00 4.14 H new ATOM 0 HB2 MET A 658 6.218 -1.081 1.196 1.00 70.41 H new ATOM 0 HB3 MET A 658 7.277 -2.478 1.206 1.00 70.41 H new ATOM 0 HG2 MET A 658 9.002 -0.883 0.047 1.00 74.13 H new ATOM 0 HG3 MET A 658 7.965 0.404 0.631 1.00 74.13 H new ATOM 0 HE1 MET A 658 7.885 -0.249 4.459 1.00 71.24 H new ATOM 0 HE2 MET A 658 6.822 -0.143 3.036 1.00 71.24 H new ATOM 0 HE3 MET A 658 7.287 -1.734 3.682 1.00 71.24 H new ATOM 349 N LEU A 659 4.594 -2.990 -0.293 1.00 45.44 N ATOM 350 CA LEU A 659 3.665 -4.116 -0.281 1.00 2.12 C ATOM 351 C LEU A 659 3.465 -4.671 -1.688 1.00 3.23 C ATOM 352 O LEU A 659 3.579 -5.875 -1.914 1.00 61.10 O ATOM 353 CB LEU A 659 2.320 -3.687 0.307 1.00 24.22 C ATOM 354 CG LEU A 659 2.298 -3.428 1.813 1.00 32.12 C ATOM 355 CD1 LEU A 659 0.879 -3.157 2.287 1.00 1.24 C ATOM 356 CD2 LEU A 659 2.898 -4.607 2.565 1.00 15.43 C ATOM 0 H LEU A 659 4.226 -2.135 0.125 1.00 45.44 H new ATOM 0 HA LEU A 659 4.092 -4.902 0.342 1.00 2.12 H new ATOM 0 HB2 LEU A 659 1.997 -2.779 -0.202 1.00 24.22 H new ATOM 0 HB3 LEU A 659 1.584 -4.459 0.081 1.00 24.22 H new ATOM 0 HG LEU A 659 2.903 -2.545 2.020 1.00 32.12 H new ATOM 0 HD11 LEU A 659 0.883 -2.975 3.362 1.00 1.24 H new ATOM 0 HD12 LEU A 659 0.484 -2.281 1.772 1.00 1.24 H new ATOM 0 HD13 LEU A 659 0.251 -4.020 2.068 1.00 1.24 H new ATOM 0 HD21 LEU A 659 2.874 -4.406 3.636 1.00 15.43 H new ATOM 0 HD22 LEU A 659 2.320 -5.506 2.352 1.00 15.43 H new ATOM 0 HD23 LEU A 659 3.930 -4.755 2.246 1.00 15.43 H new ATOM 368 N GLY A 660 3.166 -3.783 -2.632 1.00 62.12 N ATOM 369 CA GLY A 660 2.957 -4.203 -4.005 1.00 43.43 C ATOM 370 C GLY A 660 4.184 -4.860 -4.605 1.00 61.32 C ATOM 371 O GLY A 660 4.104 -5.956 -5.157 1.00 54.53 O ATOM 0 H GLY A 660 3.065 -2.781 -2.470 1.00 62.12 H new ATOM 0 HA2 GLY A 660 2.120 -4.900 -4.045 1.00 43.43 H new ATOM 0 HA3 GLY A 660 2.681 -3.338 -4.608 1.00 43.43 H new ATOM 375 N GLY A 661 5.326 -4.186 -4.498 1.00 10.23 N ATOM 376 CA GLY A 661 6.560 -4.725 -5.039 1.00 44.02 C ATOM 377 C GLY A 661 7.007 -5.984 -4.322 1.00 51.20 C ATOM 378 O GLY A 661 7.596 -6.878 -4.929 1.00 43.44 O ATOM 0 H GLY A 661 5.418 -3.276 -4.046 1.00 10.23 H new ATOM 0 HA2 GLY A 661 6.424 -4.943 -6.098 1.00 44.02 H new ATOM 0 HA3 GLY A 661 7.344 -3.972 -4.967 1.00 44.02 H new ATOM 382 N THR A 662 6.729 -6.053 -3.023 1.00 62.52 N ATOM 383 CA THR A 662 7.109 -7.209 -2.222 1.00 13.30 C ATOM 384 C THR A 662 6.223 -8.410 -2.533 1.00 62.23 C ATOM 385 O THR A 662 6.716 -9.491 -2.857 1.00 74.31 O ATOM 386 CB THR A 662 7.024 -6.900 -0.715 1.00 52.13 C ATOM 387 OG1 THR A 662 7.986 -5.899 -0.366 1.00 72.31 O ATOM 388 CG2 THR A 662 7.268 -8.155 0.110 1.00 21.41 C ATOM 0 H THR A 662 6.242 -5.322 -2.504 1.00 62.52 H new ATOM 0 HA THR A 662 8.141 -7.446 -2.480 1.00 13.30 H new ATOM 0 HB THR A 662 6.021 -6.532 -0.498 1.00 52.13 H new ATOM 0 HG1 THR A 662 7.645 -5.015 -0.618 1.00 72.31 H new ATOM 0 HG21 THR A 662 7.203 -7.912 1.170 1.00 21.41 H new ATOM 0 HG22 THR A 662 6.516 -8.905 -0.137 1.00 21.41 H new ATOM 0 HG23 THR A 662 8.260 -8.549 -0.112 1.00 21.41 H new ATOM 396 N PHE A 663 4.912 -8.213 -2.434 1.00 55.03 N ATOM 397 CA PHE A 663 3.957 -9.282 -2.705 1.00 34.43 C ATOM 398 C PHE A 663 4.193 -9.885 -4.086 1.00 22.21 C ATOM 399 O PHE A 663 4.378 -11.095 -4.224 1.00 4.22 O ATOM 400 CB PHE A 663 2.525 -8.751 -2.606 1.00 31.31 C ATOM 401 CG PHE A 663 1.546 -9.763 -2.082 1.00 23.43 C ATOM 402 CD1 PHE A 663 1.428 -11.007 -2.681 1.00 22.25 C ATOM 403 CD2 PHE A 663 0.743 -9.469 -0.992 1.00 1.13 C ATOM 404 CE1 PHE A 663 0.528 -11.939 -2.201 1.00 62.41 C ATOM 405 CE2 PHE A 663 -0.158 -10.398 -0.507 1.00 44.23 C ATOM 406 CZ PHE A 663 -0.267 -11.634 -1.114 1.00 41.01 C ATOM 0 H PHE A 663 4.487 -7.324 -2.169 1.00 55.03 H new ATOM 0 HA PHE A 663 4.101 -10.063 -1.958 1.00 34.43 H new ATOM 0 HB2 PHE A 663 2.514 -7.876 -1.956 1.00 31.31 H new ATOM 0 HB3 PHE A 663 2.200 -8.419 -3.592 1.00 31.31 H new ATOM 0 HD1 PHE A 663 2.046 -11.251 -3.532 1.00 22.25 H new ATOM 0 HD2 PHE A 663 0.822 -8.503 -0.516 1.00 1.13 H new ATOM 0 HE1 PHE A 663 0.446 -12.906 -2.676 1.00 62.41 H new ATOM 0 HE2 PHE A 663 -0.776 -10.158 0.345 1.00 44.23 H new ATOM 0 HZ PHE A 663 -0.973 -12.360 -0.739 1.00 41.01 H new ATOM 416 N LEU A 664 4.185 -9.033 -5.106 1.00 12.10 N ATOM 417 CA LEU A 664 4.398 -9.481 -6.478 1.00 13.30 C ATOM 418 C LEU A 664 5.733 -10.206 -6.614 1.00 53.41 C ATOM 419 O LEU A 664 5.797 -11.320 -7.135 1.00 1.13 O ATOM 420 CB LEU A 664 4.352 -8.290 -7.437 1.00 24.11 C ATOM 421 CG LEU A 664 3.001 -7.585 -7.566 1.00 25.03 C ATOM 422 CD1 LEU A 664 2.990 -6.674 -8.784 1.00 11.53 C ATOM 423 CD2 LEU A 664 1.873 -8.604 -7.650 1.00 33.22 C ATOM 0 H LEU A 664 4.033 -8.029 -5.009 1.00 12.10 H new ATOM 0 HA LEU A 664 3.600 -10.178 -6.734 1.00 13.30 H new ATOM 0 HB2 LEU A 664 5.092 -7.558 -7.112 1.00 24.11 H new ATOM 0 HB3 LEU A 664 4.656 -8.633 -8.426 1.00 24.11 H new ATOM 0 HG LEU A 664 2.845 -6.973 -6.677 1.00 25.03 H new ATOM 0 HD11 LEU A 664 2.021 -6.180 -8.860 1.00 11.53 H new ATOM 0 HD12 LEU A 664 3.773 -5.923 -8.683 1.00 11.53 H new ATOM 0 HD13 LEU A 664 3.168 -7.265 -9.682 1.00 11.53 H new ATOM 0 HD21 LEU A 664 0.919 -8.084 -7.741 1.00 33.22 H new ATOM 0 HD22 LEU A 664 2.023 -9.242 -8.521 1.00 33.22 H new ATOM 0 HD23 LEU A 664 1.868 -9.216 -6.748 1.00 33.22 H new ATOM 435 N TYR A 665 6.797 -9.568 -6.139 1.00 51.02 N ATOM 436 CA TYR A 665 8.132 -10.152 -6.207 1.00 64.10 C ATOM 437 C TYR A 665 8.166 -11.514 -5.521 1.00 44.23 C ATOM 438 O TYR A 665 8.715 -12.478 -6.058 1.00 20.23 O ATOM 439 CB TYR A 665 9.154 -9.217 -5.559 1.00 13.12 C ATOM 440 CG TYR A 665 10.475 -9.884 -5.251 1.00 62.41 C ATOM 441 CD1 TYR A 665 10.686 -10.526 -4.036 1.00 65.32 C ATOM 442 CD2 TYR A 665 11.514 -9.872 -6.174 1.00 5.55 C ATOM 443 CE1 TYR A 665 11.892 -11.136 -3.752 1.00 54.11 C ATOM 444 CE2 TYR A 665 12.722 -10.481 -5.898 1.00 74.23 C ATOM 445 CZ TYR A 665 12.907 -11.111 -4.685 1.00 41.13 C ATOM 446 OH TYR A 665 14.110 -11.719 -4.406 1.00 30.32 O ATOM 0 H TYR A 665 6.761 -8.647 -5.703 1.00 51.02 H new ATOM 0 HA TYR A 665 8.388 -10.288 -7.258 1.00 64.10 H new ATOM 0 HB2 TYR A 665 9.330 -8.370 -6.222 1.00 13.12 H new ATOM 0 HB3 TYR A 665 8.734 -8.818 -4.636 1.00 13.12 H new ATOM 0 HD1 TYR A 665 9.894 -10.548 -3.302 1.00 65.32 H new ATOM 0 HD2 TYR A 665 11.374 -9.378 -7.124 1.00 5.55 H new ATOM 0 HE1 TYR A 665 12.040 -11.630 -2.803 1.00 54.11 H new ATOM 0 HE2 TYR A 665 13.518 -10.464 -6.628 1.00 74.23 H new ATOM 0 HH TYR A 665 14.716 -11.611 -5.169 1.00 30.32 H new ATOM 456 N TRP A 666 7.575 -11.587 -4.335 1.00 53.23 N ATOM 457 CA TRP A 666 7.537 -12.831 -3.575 1.00 51.52 C ATOM 458 C TRP A 666 6.818 -13.925 -4.358 1.00 71.20 C ATOM 459 O TRP A 666 7.343 -15.025 -4.530 1.00 41.23 O ATOM 460 CB TRP A 666 6.844 -12.611 -2.229 1.00 42.25 C ATOM 461 CG TRP A 666 7.436 -13.421 -1.117 1.00 42.54 C ATOM 462 CD1 TRP A 666 8.569 -13.140 -0.409 1.00 23.14 C ATOM 463 CD2 TRP A 666 6.924 -14.649 -0.584 1.00 24.32 C ATOM 464 NE1 TRP A 666 8.793 -14.117 0.529 1.00 32.32 N ATOM 465 CE2 TRP A 666 7.798 -15.054 0.443 1.00 23.01 C ATOM 466 CE3 TRP A 666 5.812 -15.444 -0.876 1.00 14.13 C ATOM 467 CZ2 TRP A 666 7.593 -16.218 1.178 1.00 53.11 C ATOM 468 CZ3 TRP A 666 5.611 -16.600 -0.145 1.00 2.15 C ATOM 469 CH2 TRP A 666 6.497 -16.978 0.872 1.00 21.43 C ATOM 0 H TRP A 666 7.115 -10.799 -3.878 1.00 53.23 H new ATOM 0 HA TRP A 666 8.564 -13.151 -3.398 1.00 51.52 H new ATOM 0 HB2 TRP A 666 6.900 -11.554 -1.968 1.00 42.25 H new ATOM 0 HB3 TRP A 666 5.787 -12.860 -2.328 1.00 42.25 H new ATOM 0 HD1 TRP A 666 9.197 -12.275 -0.564 1.00 23.14 H new ATOM 0 HE1 TRP A 666 9.574 -14.141 1.184 1.00 32.32 H new ATOM 0 HE3 TRP A 666 5.123 -15.161 -1.658 1.00 14.13 H new ATOM 0 HZ2 TRP A 666 8.275 -16.511 1.962 1.00 53.11 H new ATOM 0 HZ3 TRP A 666 4.756 -17.223 -0.362 1.00 2.15 H new ATOM 0 HH2 TRP A 666 6.312 -17.887 1.425 1.00 21.43 H new ATOM 480 N ARG A 667 5.615 -13.616 -4.829 1.00 24.50 N ATOM 481 CA ARG A 667 4.824 -14.574 -5.593 1.00 23.44 C ATOM 482 C ARG A 667 5.625 -15.124 -6.770 1.00 54.31 C ATOM 483 O ARG A 667 5.463 -16.280 -7.158 1.00 2.10 O ATOM 484 CB ARG A 667 3.539 -13.916 -6.101 1.00 20.50 C ATOM 485 CG ARG A 667 2.375 -14.023 -5.129 1.00 53.05 C ATOM 486 CD ARG A 667 1.230 -13.105 -5.527 1.00 74.32 C ATOM 487 NE ARG A 667 0.402 -13.688 -6.578 1.00 21.25 N ATOM 488 CZ ARG A 667 -0.562 -14.572 -6.349 1.00 42.54 C ATOM 489 NH1 ARG A 667 -0.817 -14.974 -5.111 1.00 64.14 N ATOM 490 NH2 ARG A 667 -1.273 -15.057 -7.359 1.00 3.35 N ATOM 0 H ARG A 667 5.166 -12.710 -4.695 1.00 24.50 H new ATOM 0 HA ARG A 667 4.565 -15.402 -4.933 1.00 23.44 H new ATOM 0 HB2 ARG A 667 3.736 -12.863 -6.305 1.00 20.50 H new ATOM 0 HB3 ARG A 667 3.255 -14.376 -7.047 1.00 20.50 H new ATOM 0 HG2 ARG A 667 2.021 -15.054 -5.095 1.00 53.05 H new ATOM 0 HG3 ARG A 667 2.714 -13.769 -4.125 1.00 53.05 H new ATOM 0 HD2 ARG A 667 0.613 -12.896 -4.653 1.00 74.32 H new ATOM 0 HD3 ARG A 667 1.632 -12.151 -5.869 1.00 74.32 H new ATOM 0 HE ARG A 667 0.573 -13.401 -7.542 1.00 21.25 H new ATOM 0 HH11 ARG A 667 -0.272 -14.604 -4.332 1.00 64.14 H new ATOM 0 HH12 ARG A 667 -1.558 -15.653 -4.938 1.00 64.14 H new ATOM 0 HH21 ARG A 667 -1.079 -14.751 -8.312 1.00 3.35 H new ATOM 0 HH22 ARG A 667 -2.013 -15.736 -7.182 1.00 3.35 H new ATOM 504 N GLY A 668 6.490 -14.286 -7.334 1.00 64.35 N ATOM 505 CA GLY A 668 7.303 -14.707 -8.460 1.00 63.25 C ATOM 506 C GLY A 668 8.521 -15.502 -8.032 1.00 61.33 C ATOM 507 O GLY A 668 8.709 -16.641 -8.459 1.00 53.43 O ATOM 0 H GLY A 668 6.642 -13.324 -7.031 1.00 64.35 H new ATOM 0 HA2 GLY A 668 6.697 -15.312 -9.135 1.00 63.25 H new ATOM 0 HA3 GLY A 668 7.625 -13.829 -9.020 1.00 63.25 H new ATOM 511 N ARG A 669 9.352 -14.899 -7.188 1.00 1.51 N ATOM 512 CA ARG A 669 10.560 -15.557 -6.704 1.00 2.24 C ATOM 513 C ARG A 669 10.237 -16.934 -6.132 1.00 12.43 C ATOM 514 O ARG A 669 11.074 -17.836 -6.149 1.00 31.43 O ATOM 515 CB ARG A 669 11.242 -14.698 -5.638 1.00 23.15 C ATOM 516 CG ARG A 669 10.634 -14.848 -4.253 1.00 12.24 C ATOM 517 CD ARG A 669 11.358 -15.910 -3.440 1.00 14.13 C ATOM 518 NE ARG A 669 12.533 -15.371 -2.759 1.00 44.12 N ATOM 519 CZ ARG A 669 12.474 -14.684 -1.625 1.00 31.11 C ATOM 520 NH1 ARG A 669 11.305 -14.453 -1.045 1.00 5.35 N ATOM 521 NH2 ARG A 669 13.588 -14.227 -1.066 1.00 31.34 N ATOM 0 H ARG A 669 9.211 -13.956 -6.825 1.00 1.51 H new ATOM 0 HA ARG A 669 11.238 -15.683 -7.548 1.00 2.24 H new ATOM 0 HB2 ARG A 669 12.299 -14.962 -5.592 1.00 23.15 H new ATOM 0 HB3 ARG A 669 11.188 -13.651 -5.938 1.00 23.15 H new ATOM 0 HG2 ARG A 669 10.679 -13.893 -3.729 1.00 12.24 H new ATOM 0 HG3 ARG A 669 9.580 -15.113 -4.343 1.00 12.24 H new ATOM 0 HD2 ARG A 669 10.674 -16.332 -2.704 1.00 14.13 H new ATOM 0 HD3 ARG A 669 11.662 -16.725 -4.097 1.00 14.13 H new ATOM 0 HE ARG A 669 13.449 -15.532 -3.178 1.00 44.12 H new ATOM 0 HH11 ARG A 669 10.447 -14.804 -1.470 1.00 5.35 H new ATOM 0 HH12 ARG A 669 11.264 -13.925 -0.173 1.00 5.35 H new ATOM 0 HH21 ARG A 669 14.490 -14.404 -1.508 1.00 31.34 H new ATOM 0 HH22 ARG A 669 13.542 -13.699 -0.194 1.00 31.34 H new ATOM 535 N ARG A 670 9.018 -17.088 -5.626 1.00 12.22 N ATOM 536 CA ARG A 670 8.585 -18.354 -5.047 1.00 11.22 C ATOM 537 C ARG A 670 8.055 -19.293 -6.127 1.00 74.44 C ATOM 538 O ARG A 670 8.186 -20.513 -6.023 1.00 62.35 O ATOM 539 CB ARG A 670 7.505 -18.114 -3.991 1.00 15.04 C ATOM 540 CG ARG A 670 8.055 -17.651 -2.652 1.00 54.30 C ATOM 541 CD ARG A 670 8.771 -18.778 -1.924 1.00 14.00 C ATOM 542 NE ARG A 670 10.208 -18.772 -2.185 1.00 15.40 N ATOM 543 CZ ARG A 670 11.096 -19.402 -1.423 1.00 71.11 C ATOM 544 NH1 ARG A 670 10.696 -20.085 -0.359 1.00 23.22 N ATOM 545 NH2 ARG A 670 12.387 -19.350 -1.726 1.00 0.23 N ATOM 0 H ARG A 670 8.313 -16.352 -5.605 1.00 12.22 H new ATOM 0 HA ARG A 670 9.448 -18.822 -4.574 1.00 11.22 H new ATOM 0 HB2 ARG A 670 6.804 -17.368 -4.364 1.00 15.04 H new ATOM 0 HB3 ARG A 670 6.942 -19.035 -3.844 1.00 15.04 H new ATOM 0 HG2 ARG A 670 8.744 -16.821 -2.808 1.00 54.30 H new ATOM 0 HG3 ARG A 670 7.240 -17.276 -2.033 1.00 54.30 H new ATOM 0 HD2 ARG A 670 8.597 -18.685 -0.852 1.00 14.00 H new ATOM 0 HD3 ARG A 670 8.350 -19.735 -2.234 1.00 14.00 H new ATOM 0 HE ARG A 670 10.549 -18.256 -2.996 1.00 15.40 H new ATOM 0 HH11 ARG A 670 9.704 -20.128 -0.124 1.00 23.22 H new ATOM 0 HH12 ARG A 670 11.380 -20.568 0.224 1.00 23.22 H new ATOM 0 HH21 ARG A 670 12.698 -18.826 -2.544 1.00 0.23 H new ATOM 0 HH22 ARG A 670 13.068 -19.834 -1.141 1.00 0.23 H new ATOM 559 N HIS A 671 7.456 -18.716 -7.163 1.00 22.42 N ATOM 560 CA HIS A 671 6.906 -19.500 -8.264 1.00 53.11 C ATOM 561 C HIS A 671 8.012 -20.252 -9.000 1.00 11.53 C ATOM 562 O HIS A 671 7.826 -21.396 -9.417 1.00 12.15 O ATOM 563 CB HIS A 671 6.153 -18.595 -9.238 1.00 12.13 C ATOM 564 CG HIS A 671 5.461 -19.341 -10.336 1.00 22.01 C ATOM 565 ND1 HIS A 671 5.217 -20.663 -10.492 1.00 14.05 N flip ATOM 566 CD2 HIS A 671 4.927 -18.722 -11.447 1.00 53.34 C flip ATOM 567 CE1 HIS A 671 4.546 -20.818 -11.680 1.00 74.25 C flip ATOM 568 NE2 HIS A 671 4.383 -19.630 -12.237 1.00 35.31 N flip ATOM 0 H HIS A 671 7.339 -17.708 -7.264 1.00 22.42 H new ATOM 0 HA HIS A 671 6.210 -20.228 -7.847 1.00 53.11 H new ATOM 0 HB2 HIS A 671 5.416 -18.013 -8.685 1.00 12.13 H new ATOM 0 HB3 HIS A 671 6.854 -17.886 -9.678 1.00 12.13 H new ATOM 0 HD1 HIS A 671 5.482 -21.407 -9.846 1.00 14.05 H new ATOM 0 HD2 HIS A 671 4.950 -17.660 -11.641 1.00 53.34 H new ATOM 0 HE1 HIS A 671 4.207 -21.757 -12.092 1.00 74.25 H new ATOM 576 N HIS A 672 9.160 -19.602 -9.155 1.00 41.25 N ATOM 577 CA HIS A 672 10.295 -20.210 -9.841 1.00 21.41 C ATOM 578 C HIS A 672 10.821 -21.411 -9.062 1.00 73.43 C ATOM 579 O HIS A 672 11.469 -21.255 -8.026 1.00 71.42 O ATOM 580 CB HIS A 672 11.411 -19.183 -10.034 1.00 23.33 C ATOM 581 CG HIS A 672 12.184 -19.370 -11.304 1.00 13.21 C ATOM 582 ND1 HIS A 672 12.595 -18.319 -12.096 1.00 73.41 N ATOM 583 CD2 HIS A 672 12.622 -20.494 -11.916 1.00 51.04 C ATOM 584 CE1 HIS A 672 13.252 -18.789 -13.141 1.00 62.31 C ATOM 585 NE2 HIS A 672 13.283 -20.107 -13.056 1.00 14.54 N ATOM 0 H HIS A 672 9.330 -18.655 -8.816 1.00 41.25 H new ATOM 0 HA HIS A 672 9.956 -20.554 -10.818 1.00 21.41 H new ATOM 0 HB2 HIS A 672 10.978 -18.183 -10.026 1.00 23.33 H new ATOM 0 HB3 HIS A 672 12.097 -19.241 -9.189 1.00 23.33 H new ATOM 0 HD2 HIS A 672 12.479 -21.508 -11.572 1.00 51.04 H new ATOM 0 HE1 HIS A 672 13.690 -18.196 -13.931 1.00 62.31 H new ATOM 0 HE2 HIS A 672 13.726 -20.735 -13.727 1.00 14.54 H new ATOM 593 N HIS A 673 10.540 -22.608 -9.565 1.00 5.54 N ATOM 594 CA HIS A 673 10.986 -23.836 -8.916 1.00 12.14 C ATOM 595 C HIS A 673 12.487 -23.793 -8.646 1.00 3.31 C ATOM 596 O HIS A 673 13.297 -23.956 -9.559 1.00 44.11 O ATOM 597 CB HIS A 673 10.645 -25.048 -9.781 1.00 43.35 C ATOM 598 CG HIS A 673 9.407 -25.769 -9.344 1.00 31.34 C ATOM 599 ND1 HIS A 673 9.350 -26.541 -8.203 1.00 55.43 N ATOM 600 CD2 HIS A 673 8.175 -25.829 -9.899 1.00 0.53 C ATOM 601 CE1 HIS A 673 8.135 -27.047 -8.076 1.00 23.40 C ATOM 602 NE2 HIS A 673 7.403 -26.630 -9.093 1.00 62.10 N ATOM 0 H HIS A 673 10.005 -22.754 -10.421 1.00 5.54 H new ATOM 0 HA HIS A 673 10.466 -23.924 -7.962 1.00 12.14 H new ATOM 0 HB2 HIS A 673 10.520 -24.723 -10.814 1.00 43.35 H new ATOM 0 HB3 HIS A 673 11.485 -25.743 -9.765 1.00 43.35 H new ATOM 0 HD2 HIS A 673 7.857 -25.338 -10.807 1.00 0.53 H new ATOM 0 HE1 HIS A 673 7.799 -27.691 -7.277 1.00 23.40 H new ATOM 0 HE2 HIS A 673 6.423 -26.865 -9.254 1.00 62.10 H new ATOM 610 N HIS A 674 12.851 -23.572 -7.386 1.00 42.14 N ATOM 611 CA HIS A 674 14.255 -23.509 -6.997 1.00 12.24 C ATOM 612 C HIS A 674 14.895 -24.893 -7.040 1.00 13.21 C ATOM 613 O HIS A 674 15.935 -25.089 -7.670 1.00 54.31 O ATOM 614 CB HIS A 674 14.391 -22.915 -5.595 1.00 1.22 C ATOM 615 CG HIS A 674 14.772 -21.466 -5.592 1.00 43.51 C ATOM 616 ND1 HIS A 674 15.569 -20.900 -4.620 1.00 1.01 N ATOM 617 CD2 HIS A 674 14.461 -20.468 -6.451 1.00 65.33 C ATOM 618 CE1 HIS A 674 15.731 -19.615 -4.881 1.00 33.22 C ATOM 619 NE2 HIS A 674 15.070 -19.327 -5.987 1.00 12.11 N ATOM 0 H HIS A 674 12.194 -23.434 -6.618 1.00 42.14 H new ATOM 0 HA HIS A 674 14.774 -22.867 -7.708 1.00 12.24 H new ATOM 0 HB2 HIS A 674 13.446 -23.035 -5.066 1.00 1.22 H new ATOM 0 HB3 HIS A 674 15.140 -23.480 -5.041 1.00 1.22 H new ATOM 0 HD2 HIS A 674 13.848 -20.552 -7.336 1.00 65.33 H new ATOM 0 HE1 HIS A 674 16.307 -18.918 -4.290 1.00 33.22 H new ATOM 0 HE2 HIS A 674 15.020 -18.407 -6.426 1.00 12.11 H new ATOM 627 N HIS A 675 14.266 -25.852 -6.366 1.00 23.54 N ATOM 628 CA HIS A 675 14.774 -27.218 -6.327 1.00 11.24 C ATOM 629 C HIS A 675 16.222 -27.246 -5.847 1.00 41.42 C ATOM 630 O HIS A 675 17.061 -27.945 -6.415 1.00 64.42 O ATOM 631 CB HIS A 675 14.670 -27.863 -7.710 1.00 32.43 C ATOM 632 CG HIS A 675 14.578 -29.356 -7.668 1.00 44.14 C ATOM 633 ND1 HIS A 675 14.407 -30.132 -8.796 1.00 4.32 N ATOM 634 CD2 HIS A 675 14.636 -30.219 -6.627 1.00 32.22 C ATOM 635 CE1 HIS A 675 14.361 -31.406 -8.450 1.00 70.20 C ATOM 636 NE2 HIS A 675 14.499 -31.486 -7.138 1.00 22.13 N ATOM 0 H HIS A 675 13.404 -25.707 -5.840 1.00 23.54 H new ATOM 0 HA HIS A 675 14.166 -27.786 -5.623 1.00 11.24 H new ATOM 0 HB2 HIS A 675 13.793 -27.467 -8.221 1.00 32.43 H new ATOM 0 HB3 HIS A 675 15.540 -27.577 -8.302 1.00 32.43 H new ATOM 0 HD2 HIS A 675 14.766 -29.959 -5.587 1.00 32.22 H new ATOM 0 HE1 HIS A 675 14.233 -32.240 -9.124 1.00 70.20 H new ATOM 0 HE2 HIS A 675 14.503 -32.349 -6.594 1.00 22.13 H new ATOM 644 N HIS A 676 16.507 -26.481 -4.798 1.00 3.02 N ATOM 645 CA HIS A 676 17.854 -26.419 -4.242 1.00 20.21 C ATOM 646 C HIS A 676 17.898 -27.048 -2.853 1.00 10.31 C ATOM 647 O HIS A 676 16.942 -26.896 -2.093 1.00 53.24 O ATOM 648 CB HIS A 676 18.334 -24.968 -4.173 1.00 13.34 C ATOM 649 CG HIS A 676 19.780 -24.798 -4.519 1.00 63.32 C ATOM 650 ND1 HIS A 676 20.779 -24.725 -3.570 1.00 4.34 N ATOM 651 CD2 HIS A 676 20.396 -24.689 -5.720 1.00 61.35 C ATOM 652 CE1 HIS A 676 21.945 -24.575 -4.171 1.00 45.53 C ATOM 653 NE2 HIS A 676 21.741 -24.552 -5.477 1.00 33.24 N ATOM 0 H HIS A 676 15.824 -25.896 -4.316 1.00 3.02 H new ATOM 0 HA HIS A 676 18.517 -26.983 -4.898 1.00 20.21 H new ATOM 0 HB2 HIS A 676 17.733 -24.363 -4.852 1.00 13.34 H new ATOM 0 HB3 HIS A 676 18.162 -24.585 -3.167 1.00 13.34 H new ATOM 0 HD2 HIS A 676 19.919 -24.707 -6.689 1.00 61.35 H new ATOM 0 HE1 HIS A 676 22.902 -24.486 -3.679 1.00 45.53 H new ATOM 0 HE2 HIS A 676 22.465 -24.449 -6.188 1.00 33.24 H new TER 661 HIS A 676 ATOM 662 N MET B 637 -13.144 33.263 4.360 1.00 5.34 N ATOM 663 CA MET B 637 -12.470 32.003 4.648 1.00 2.21 C ATOM 664 C MET B 637 -11.774 31.462 3.402 1.00 53.43 C ATOM 665 O MET B 637 -12.116 31.830 2.279 1.00 11.12 O ATOM 666 CB MET B 637 -13.470 30.973 5.175 1.00 31.02 C ATOM 667 CG MET B 637 -13.462 30.837 6.690 1.00 23.20 C ATOM 668 SD MET B 637 -14.681 29.651 7.287 1.00 54.01 S ATOM 669 CE MET B 637 -16.205 30.511 6.905 1.00 74.12 C ATOM 0 HA MET B 637 -11.716 32.190 5.412 1.00 2.21 H new ATOM 0 HB2 MET B 637 -14.472 31.252 4.849 1.00 31.02 H new ATOM 0 HB3 MET B 637 -13.248 30.003 4.730 1.00 31.02 H new ATOM 0 HG2 MET B 637 -12.469 30.528 7.018 1.00 23.20 H new ATOM 0 HG3 MET B 637 -13.658 31.811 7.139 1.00 23.20 H new ATOM 0 HE1 MET B 637 -17.022 30.079 7.483 1.00 74.12 H new ATOM 0 HE2 MET B 637 -16.101 31.566 7.158 1.00 74.12 H new ATOM 0 HE3 MET B 637 -16.422 30.412 5.841 1.00 74.12 H new ATOM 679 N GLY B 638 -10.795 30.585 3.610 1.00 1.35 N ATOM 680 CA GLY B 638 -10.067 30.009 2.495 1.00 52.41 C ATOM 681 C GLY B 638 -10.327 28.523 2.339 1.00 33.14 C ATOM 682 O GLY B 638 -11.367 28.121 1.817 1.00 41.33 O ATOM 0 H GLY B 638 -10.494 30.264 4.530 1.00 1.35 H new ATOM 0 HA2 GLY B 638 -10.350 30.523 1.576 1.00 52.41 H new ATOM 0 HA3 GLY B 638 -8.999 30.175 2.637 1.00 52.41 H new ATOM 686 N ARG B 639 -9.381 27.709 2.791 1.00 54.25 N ATOM 687 CA ARG B 639 -9.511 26.259 2.696 1.00 61.21 C ATOM 688 C ARG B 639 -9.787 25.831 1.258 1.00 11.21 C ATOM 689 O ARG B 639 -10.940 25.764 0.828 1.00 32.43 O ATOM 690 CB ARG B 639 -10.633 25.766 3.611 1.00 2.02 C ATOM 691 CG ARG B 639 -10.461 26.179 5.063 1.00 74.04 C ATOM 692 CD ARG B 639 -9.281 25.469 5.709 1.00 61.13 C ATOM 693 NE ARG B 639 -8.902 26.079 6.980 1.00 25.34 N ATOM 694 CZ ARG B 639 -8.172 27.185 7.076 1.00 61.15 C ATOM 695 NH1 ARG B 639 -7.744 27.797 5.981 1.00 63.53 N ATOM 696 NH2 ARG B 639 -7.868 27.680 8.269 1.00 44.25 N ATOM 0 H ARG B 639 -8.516 28.027 3.227 1.00 54.25 H new ATOM 0 HA ARG B 639 -8.569 25.813 3.015 1.00 61.21 H new ATOM 0 HB2 ARG B 639 -11.585 26.149 3.243 1.00 2.02 H new ATOM 0 HB3 ARG B 639 -10.684 24.679 3.555 1.00 2.02 H new ATOM 0 HG2 ARG B 639 -10.314 27.257 5.121 1.00 74.04 H new ATOM 0 HG3 ARG B 639 -11.372 25.952 5.617 1.00 74.04 H new ATOM 0 HD2 ARG B 639 -9.534 24.421 5.871 1.00 61.13 H new ATOM 0 HD3 ARG B 639 -8.429 25.490 5.029 1.00 61.13 H new ATOM 0 HE ARG B 639 -9.215 25.632 7.842 1.00 25.34 H new ATOM 0 HH11 ARG B 639 -7.975 27.419 5.062 1.00 63.53 H new ATOM 0 HH12 ARG B 639 -7.184 28.646 6.057 1.00 63.53 H new ATOM 0 HH21 ARG B 639 -8.195 27.211 9.114 1.00 44.25 H new ATOM 0 HH22 ARG B 639 -7.307 28.529 8.341 1.00 44.25 H new ATOM 710 N THR B 640 -8.722 25.543 0.517 1.00 45.53 N ATOM 711 CA THR B 640 -8.849 25.123 -0.873 1.00 1.50 C ATOM 712 C THR B 640 -7.856 24.016 -1.207 1.00 75.30 C ATOM 713 O THR B 640 -8.223 22.990 -1.778 1.00 43.23 O ATOM 714 CB THR B 640 -8.629 26.303 -1.839 1.00 33.11 C ATOM 715 OG1 THR B 640 -9.604 27.323 -1.595 1.00 22.41 O ATOM 716 CG2 THR B 640 -8.720 25.842 -3.286 1.00 31.51 C ATOM 0 H THR B 640 -7.761 25.593 0.856 1.00 45.53 H new ATOM 0 HA THR B 640 -9.864 24.746 -0.997 1.00 1.50 H new ATOM 0 HB THR B 640 -7.631 26.706 -1.665 1.00 33.11 H new ATOM 0 HG1 THR B 640 -9.457 28.070 -2.212 1.00 22.41 H new ATOM 0 HG21 THR B 640 -8.561 26.692 -3.949 1.00 31.51 H new ATOM 0 HG22 THR B 640 -7.958 25.086 -3.476 1.00 31.51 H new ATOM 0 HG23 THR B 640 -9.706 25.417 -3.471 1.00 31.51 H new ATOM 724 N HIS B 641 -6.594 24.231 -0.845 1.00 44.21 N ATOM 725 CA HIS B 641 -5.547 23.249 -1.105 1.00 51.23 C ATOM 726 C HIS B 641 -5.806 21.961 -0.330 1.00 73.20 C ATOM 727 O HIS B 641 -5.166 20.937 -0.575 1.00 20.20 O ATOM 728 CB HIS B 641 -4.180 23.820 -0.728 1.00 54.24 C ATOM 729 CG HIS B 641 -3.964 23.930 0.750 1.00 51.35 C ATOM 730 ND1 HIS B 641 -4.960 24.294 1.632 1.00 64.42 N ATOM 731 CD2 HIS B 641 -2.857 23.720 1.502 1.00 43.14 C ATOM 732 CE1 HIS B 641 -4.476 24.305 2.860 1.00 74.13 C ATOM 733 NE2 HIS B 641 -3.201 23.959 2.809 1.00 2.30 N ATOM 0 H HIS B 641 -6.273 25.075 -0.372 1.00 44.21 H new ATOM 0 HA HIS B 641 -5.555 23.018 -2.170 1.00 51.23 H new ATOM 0 HB2 HIS B 641 -3.401 23.188 -1.155 1.00 54.24 H new ATOM 0 HB3 HIS B 641 -4.071 24.807 -1.177 1.00 54.24 H new ATOM 0 HD2 HIS B 641 -1.885 23.420 1.140 1.00 43.14 H new ATOM 0 HE1 HIS B 641 -5.028 24.554 3.754 1.00 74.13 H new ATOM 0 HE2 HIS B 641 -2.575 23.882 3.611 1.00 2.30 H new ATOM 741 N LEU B 642 -6.747 22.017 0.606 1.00 32.44 N ATOM 742 CA LEU B 642 -7.089 20.856 1.418 1.00 55.53 C ATOM 743 C LEU B 642 -7.822 19.808 0.587 1.00 51.24 C ATOM 744 O LEU B 642 -7.682 18.606 0.820 1.00 5.33 O ATOM 745 CB LEU B 642 -7.955 21.276 2.607 1.00 32.11 C ATOM 746 CG LEU B 642 -7.202 21.724 3.861 1.00 41.51 C ATOM 747 CD1 LEU B 642 -8.040 22.706 4.664 1.00 21.05 C ATOM 748 CD2 LEU B 642 -6.824 20.521 4.713 1.00 23.22 C ATOM 0 H LEU B 642 -7.287 22.855 0.821 1.00 32.44 H new ATOM 0 HA LEU B 642 -6.162 20.418 1.789 1.00 55.53 H new ATOM 0 HB2 LEU B 642 -8.605 22.090 2.288 1.00 32.11 H new ATOM 0 HB3 LEU B 642 -8.600 20.439 2.874 1.00 32.11 H new ATOM 0 HG LEU B 642 -6.286 22.228 3.552 1.00 41.51 H new ATOM 0 HD11 LEU B 642 -7.488 23.014 5.552 1.00 21.05 H new ATOM 0 HD12 LEU B 642 -8.261 23.581 4.053 1.00 21.05 H new ATOM 0 HD13 LEU B 642 -8.973 22.228 4.964 1.00 21.05 H new ATOM 0 HD21 LEU B 642 -6.289 20.858 5.601 1.00 23.22 H new ATOM 0 HD22 LEU B 642 -7.727 19.990 5.013 1.00 23.22 H new ATOM 0 HD23 LEU B 642 -6.185 19.853 4.136 1.00 23.22 H new ATOM 760 N THR B 643 -8.602 20.270 -0.385 1.00 41.22 N ATOM 761 CA THR B 643 -9.356 19.373 -1.252 1.00 14.21 C ATOM 762 C THR B 643 -8.428 18.424 -2.002 1.00 51.32 C ATOM 763 O THR B 643 -8.575 17.205 -1.920 1.00 72.43 O ATOM 764 CB THR B 643 -10.202 20.158 -2.273 1.00 13.45 C ATOM 765 OG1 THR B 643 -10.733 21.339 -1.662 1.00 10.03 O ATOM 766 CG2 THR B 643 -11.340 19.301 -2.804 1.00 45.51 C ATOM 0 H THR B 643 -8.728 21.261 -0.592 1.00 41.22 H new ATOM 0 HA THR B 643 -10.019 18.795 -0.608 1.00 14.21 H new ATOM 0 HB THR B 643 -9.559 20.438 -3.107 1.00 13.45 H new ATOM 0 HG1 THR B 643 -10.088 22.071 -1.750 1.00 10.03 H new ATOM 0 HG21 THR B 643 -11.924 19.876 -3.523 1.00 45.51 H new ATOM 0 HG22 THR B 643 -10.932 18.416 -3.293 1.00 45.51 H new ATOM 0 HG23 THR B 643 -11.982 18.995 -1.978 1.00 45.51 H new ATOM 774 N MET B 644 -7.473 18.991 -2.730 1.00 24.44 N ATOM 775 CA MET B 644 -6.519 18.194 -3.493 1.00 63.22 C ATOM 776 C MET B 644 -5.674 17.325 -2.568 1.00 51.12 C ATOM 777 O MET B 644 -5.528 16.123 -2.791 1.00 23.24 O ATOM 778 CB MET B 644 -5.613 19.103 -4.327 1.00 54.42 C ATOM 779 CG MET B 644 -6.361 19.911 -5.375 1.00 71.32 C ATOM 780 SD MET B 644 -6.571 19.012 -6.924 1.00 11.32 S ATOM 781 CE MET B 644 -8.127 18.177 -6.622 1.00 11.24 C ATOM 0 H MET B 644 -7.338 19.999 -2.808 1.00 24.44 H new ATOM 0 HA MET B 644 -7.081 17.542 -4.161 1.00 63.22 H new ATOM 0 HB2 MET B 644 -5.086 19.786 -3.661 1.00 54.42 H new ATOM 0 HB3 MET B 644 -4.857 18.493 -4.822 1.00 54.42 H new ATOM 0 HG2 MET B 644 -7.340 20.188 -4.984 1.00 71.32 H new ATOM 0 HG3 MET B 644 -5.821 20.838 -5.568 1.00 71.32 H new ATOM 0 HE1 MET B 644 -7.960 17.101 -6.578 1.00 11.24 H new ATOM 0 HE2 MET B 644 -8.545 18.519 -5.675 1.00 11.24 H new ATOM 0 HE3 MET B 644 -8.824 18.403 -7.429 1.00 11.24 H new ATOM 791 N ALA B 645 -5.119 17.939 -1.529 1.00 22.33 N ATOM 792 CA ALA B 645 -4.290 17.221 -0.569 1.00 2.12 C ATOM 793 C ALA B 645 -5.060 16.068 0.066 1.00 3.25 C ATOM 794 O ALA B 645 -4.517 14.979 0.262 1.00 4.52 O ATOM 795 CB ALA B 645 -3.780 18.171 0.504 1.00 21.44 C ATOM 0 H ALA B 645 -5.229 18.933 -1.330 1.00 22.33 H new ATOM 0 HA ALA B 645 -3.437 16.804 -1.104 1.00 2.12 H new ATOM 0 HB1 ALA B 645 -3.162 17.620 1.214 1.00 21.44 H new ATOM 0 HB2 ALA B 645 -3.186 18.958 0.040 1.00 21.44 H new ATOM 0 HB3 ALA B 645 -4.626 18.616 1.028 1.00 21.44 H new ATOM 801 N LEU B 646 -6.326 16.313 0.387 1.00 21.53 N ATOM 802 CA LEU B 646 -7.171 15.295 1.000 1.00 12.13 C ATOM 803 C LEU B 646 -7.356 14.104 0.065 1.00 32.40 C ATOM 804 O LEU B 646 -7.282 12.950 0.489 1.00 75.20 O ATOM 805 CB LEU B 646 -8.533 15.887 1.366 1.00 62.31 C ATOM 806 CG LEU B 646 -8.617 16.591 2.721 1.00 43.32 C ATOM 807 CD1 LEU B 646 -9.685 17.673 2.694 1.00 30.34 C ATOM 808 CD2 LEU B 646 -8.901 15.586 3.827 1.00 3.15 C ATOM 0 H LEU B 646 -6.790 17.208 0.233 1.00 21.53 H new ATOM 0 HA LEU B 646 -6.677 14.947 1.907 1.00 12.13 H new ATOM 0 HB2 LEU B 646 -8.817 16.599 0.591 1.00 62.31 H new ATOM 0 HB3 LEU B 646 -9.271 15.085 1.349 1.00 62.31 H new ATOM 0 HG LEU B 646 -7.656 17.063 2.925 1.00 43.32 H new ATOM 0 HD11 LEU B 646 -9.731 18.163 3.666 1.00 30.34 H new ATOM 0 HD12 LEU B 646 -9.439 18.408 1.928 1.00 30.34 H new ATOM 0 HD13 LEU B 646 -10.652 17.224 2.468 1.00 30.34 H new ATOM 0 HD21 LEU B 646 -8.957 16.105 4.784 1.00 3.15 H new ATOM 0 HD22 LEU B 646 -9.849 15.085 3.629 1.00 3.15 H new ATOM 0 HD23 LEU B 646 -8.101 14.847 3.861 1.00 3.15 H new ATOM 820 N THR B 647 -7.593 14.391 -1.210 1.00 24.41 N ATOM 821 CA THR B 647 -7.787 13.345 -2.206 1.00 62.21 C ATOM 822 C THR B 647 -6.556 12.453 -2.313 1.00 22.54 C ATOM 823 O THR B 647 -6.668 11.230 -2.404 1.00 34.24 O ATOM 824 CB THR B 647 -8.098 13.940 -3.593 1.00 42.54 C ATOM 825 OG1 THR B 647 -9.272 14.757 -3.523 1.00 34.05 O ATOM 826 CG2 THR B 647 -8.304 12.837 -4.620 1.00 24.20 C ATOM 0 H THR B 647 -7.655 15.340 -1.578 1.00 24.41 H new ATOM 0 HA THR B 647 -8.637 12.748 -1.876 1.00 62.21 H new ATOM 0 HB THR B 647 -7.249 14.550 -3.902 1.00 42.54 H new ATOM 0 HG1 THR B 647 -9.078 15.565 -3.004 1.00 34.05 H new ATOM 0 HG21 THR B 647 -8.522 13.281 -5.591 1.00 24.20 H new ATOM 0 HG22 THR B 647 -7.399 12.233 -4.692 1.00 24.20 H new ATOM 0 HG23 THR B 647 -9.138 12.206 -4.314 1.00 24.20 H new ATOM 834 N VAL B 648 -5.379 13.073 -2.302 1.00 42.13 N ATOM 835 CA VAL B 648 -4.125 12.334 -2.397 1.00 0.41 C ATOM 836 C VAL B 648 -3.942 11.408 -1.199 1.00 3.11 C ATOM 837 O VAL B 648 -3.693 10.213 -1.359 1.00 34.41 O ATOM 838 CB VAL B 648 -2.918 13.287 -2.485 1.00 52.42 C ATOM 839 CG1 VAL B 648 -1.617 12.500 -2.508 1.00 43.32 C ATOM 840 CG2 VAL B 648 -3.033 14.179 -3.711 1.00 63.41 C ATOM 0 H VAL B 648 -5.268 14.084 -2.228 1.00 42.13 H new ATOM 0 HA VAL B 648 -4.175 11.739 -3.309 1.00 0.41 H new ATOM 0 HB VAL B 648 -2.914 13.923 -1.600 1.00 52.42 H new ATOM 0 HG11 VAL B 648 -0.775 13.190 -2.570 1.00 43.32 H new ATOM 0 HG12 VAL B 648 -1.534 11.908 -1.597 1.00 43.32 H new ATOM 0 HG13 VAL B 648 -1.608 11.837 -3.373 1.00 43.32 H new ATOM 0 HG21 VAL B 648 -2.172 14.846 -3.758 1.00 63.41 H new ATOM 0 HG22 VAL B 648 -3.063 13.562 -4.609 1.00 63.41 H new ATOM 0 HG23 VAL B 648 -3.947 14.770 -3.647 1.00 63.41 H new ATOM 850 N ILE B 649 -4.067 11.968 -0.001 1.00 32.12 N ATOM 851 CA ILE B 649 -3.917 11.191 1.224 1.00 20.13 C ATOM 852 C ILE B 649 -4.958 10.080 1.301 1.00 30.20 C ATOM 853 O ILE B 649 -4.641 8.942 1.648 1.00 34.23 O ATOM 854 CB ILE B 649 -4.039 12.083 2.474 1.00 23.22 C ATOM 855 CG1 ILE B 649 -2.961 13.168 2.460 1.00 14.42 C ATOM 856 CG2 ILE B 649 -3.935 11.241 3.737 1.00 1.54 C ATOM 857 CD1 ILE B 649 -3.011 14.084 3.664 1.00 74.04 C ATOM 0 H ILE B 649 -4.272 12.956 0.148 1.00 32.12 H new ATOM 0 HA ILE B 649 -2.921 10.750 1.199 1.00 20.13 H new ATOM 0 HB ILE B 649 -5.015 12.568 2.463 1.00 23.22 H new ATOM 0 HG12 ILE B 649 -1.980 12.694 2.414 1.00 14.42 H new ATOM 0 HG13 ILE B 649 -3.069 13.765 1.554 1.00 14.42 H new ATOM 0 HG21 ILE B 649 -4.023 11.885 4.612 1.00 1.54 H new ATOM 0 HG22 ILE B 649 -4.736 10.502 3.749 1.00 1.54 H new ATOM 0 HG23 ILE B 649 -2.971 10.732 3.757 1.00 1.54 H new ATOM 0 HD11 ILE B 649 -2.219 14.829 3.588 1.00 74.04 H new ATOM 0 HD12 ILE B 649 -3.978 14.586 3.700 1.00 74.04 H new ATOM 0 HD13 ILE B 649 -2.872 13.498 4.573 1.00 74.04 H new ATOM 869 N ALA B 650 -6.201 10.417 0.974 1.00 34.33 N ATOM 870 CA ALA B 650 -7.288 9.447 1.004 1.00 3.02 C ATOM 871 C ALA B 650 -7.078 8.355 -0.040 1.00 75.14 C ATOM 872 O ALA B 650 -7.327 7.179 0.220 1.00 53.15 O ATOM 873 CB ALA B 650 -8.622 10.143 0.780 1.00 44.50 C ATOM 0 H ALA B 650 -6.480 11.355 0.685 1.00 34.33 H new ATOM 0 HA ALA B 650 -7.296 8.977 1.987 1.00 3.02 H new ATOM 0 HB1 ALA B 650 -9.425 9.407 0.805 1.00 44.50 H new ATOM 0 HB2 ALA B 650 -8.783 10.882 1.565 1.00 44.50 H new ATOM 0 HB3 ALA B 650 -8.615 10.640 -0.190 1.00 44.50 H new ATOM 879 N GLY B 651 -6.617 8.753 -1.221 1.00 25.23 N ATOM 880 CA GLY B 651 -6.381 7.795 -2.286 1.00 24.21 C ATOM 881 C GLY B 651 -5.385 6.723 -1.892 1.00 23.44 C ATOM 882 O GLY B 651 -5.659 5.531 -2.029 1.00 51.34 O ATOM 0 H GLY B 651 -6.403 9.721 -1.460 1.00 25.23 H new ATOM 0 HA2 GLY B 651 -7.325 7.325 -2.564 1.00 24.21 H new ATOM 0 HA3 GLY B 651 -6.015 8.320 -3.168 1.00 24.21 H new ATOM 886 N LEU B 652 -4.225 7.146 -1.404 1.00 32.35 N ATOM 887 CA LEU B 652 -3.182 6.214 -0.990 1.00 11.32 C ATOM 888 C LEU B 652 -3.691 5.280 0.104 1.00 45.13 C ATOM 889 O LEU B 652 -3.476 4.068 0.049 1.00 12.04 O ATOM 890 CB LEU B 652 -1.955 6.978 -0.492 1.00 55.21 C ATOM 891 CG LEU B 652 -1.348 7.984 -1.470 1.00 24.54 C ATOM 892 CD1 LEU B 652 -0.350 8.885 -0.760 1.00 0.34 C ATOM 893 CD2 LEU B 652 -0.684 7.262 -2.634 1.00 32.23 C ATOM 0 H LEU B 652 -3.982 8.130 -1.285 1.00 32.35 H new ATOM 0 HA LEU B 652 -2.901 5.614 -1.855 1.00 11.32 H new ATOM 0 HB2 LEU B 652 -2.228 7.508 0.421 1.00 55.21 H new ATOM 0 HB3 LEU B 652 -1.186 6.254 -0.223 1.00 55.21 H new ATOM 0 HG LEU B 652 -2.151 8.607 -1.865 1.00 24.54 H new ATOM 0 HD11 LEU B 652 0.071 9.594 -1.473 1.00 0.34 H new ATOM 0 HD12 LEU B 652 -0.855 9.429 0.038 1.00 0.34 H new ATOM 0 HD13 LEU B 652 0.450 8.278 -0.336 1.00 0.34 H new ATOM 0 HD21 LEU B 652 -0.257 7.994 -3.320 1.00 32.23 H new ATOM 0 HD22 LEU B 652 0.107 6.614 -2.257 1.00 32.23 H new ATOM 0 HD23 LEU B 652 -1.426 6.661 -3.160 1.00 32.23 H new ATOM 905 N VAL B 653 -4.370 5.849 1.094 1.00 21.45 N ATOM 906 CA VAL B 653 -4.912 5.068 2.199 1.00 43.55 C ATOM 907 C VAL B 653 -5.881 4.003 1.694 1.00 30.41 C ATOM 908 O VAL B 653 -5.740 2.821 2.008 1.00 63.31 O ATOM 909 CB VAL B 653 -5.638 5.965 3.218 1.00 0.20 C ATOM 910 CG1 VAL B 653 -6.387 5.119 4.236 1.00 50.31 C ATOM 911 CG2 VAL B 653 -4.650 6.893 3.908 1.00 2.23 C ATOM 0 H VAL B 653 -4.558 6.850 1.154 1.00 21.45 H new ATOM 0 HA VAL B 653 -4.067 4.585 2.690 1.00 43.55 H new ATOM 0 HB VAL B 653 -6.365 6.577 2.684 1.00 0.20 H new ATOM 0 HG11 VAL B 653 -6.894 5.770 4.948 1.00 50.31 H new ATOM 0 HG12 VAL B 653 -7.123 4.499 3.723 1.00 50.31 H new ATOM 0 HG13 VAL B 653 -5.682 4.480 4.767 1.00 50.31 H new ATOM 0 HG21 VAL B 653 -5.180 7.520 4.625 1.00 2.23 H new ATOM 0 HG22 VAL B 653 -3.898 6.301 4.430 1.00 2.23 H new ATOM 0 HG23 VAL B 653 -4.163 7.524 3.164 1.00 2.23 H new ATOM 921 N VAL B 654 -6.866 4.431 0.911 1.00 44.22 N ATOM 922 CA VAL B 654 -7.858 3.515 0.361 1.00 43.11 C ATOM 923 C VAL B 654 -7.192 2.379 -0.405 1.00 43.14 C ATOM 924 O VAL B 654 -7.692 1.254 -0.427 1.00 45.12 O ATOM 925 CB VAL B 654 -8.839 4.246 -0.576 1.00 14.21 C ATOM 926 CG1 VAL B 654 -9.823 3.262 -1.190 1.00 23.23 C ATOM 927 CG2 VAL B 654 -9.571 5.348 0.174 1.00 54.32 C ATOM 0 H VAL B 654 -6.998 5.406 0.643 1.00 44.22 H new ATOM 0 HA VAL B 654 -8.412 3.104 1.205 1.00 43.11 H new ATOM 0 HB VAL B 654 -8.270 4.705 -1.384 1.00 14.21 H new ATOM 0 HG11 VAL B 654 -10.508 3.796 -1.849 1.00 23.23 H new ATOM 0 HG12 VAL B 654 -9.278 2.512 -1.764 1.00 23.23 H new ATOM 0 HG13 VAL B 654 -10.389 2.772 -0.398 1.00 23.23 H new ATOM 0 HG21 VAL B 654 -10.259 5.854 -0.503 1.00 54.32 H new ATOM 0 HG22 VAL B 654 -10.130 4.914 1.003 1.00 54.32 H new ATOM 0 HG23 VAL B 654 -8.849 6.067 0.560 1.00 54.32 H new ATOM 937 N ILE B 655 -6.060 2.679 -1.033 1.00 13.11 N ATOM 938 CA ILE B 655 -5.324 1.682 -1.800 1.00 54.22 C ATOM 939 C ILE B 655 -4.752 0.601 -0.889 1.00 41.35 C ATOM 940 O ILE B 655 -4.971 -0.591 -1.108 1.00 12.42 O ATOM 941 CB ILE B 655 -4.175 2.323 -2.601 1.00 71.22 C ATOM 942 CG1 ILE B 655 -4.733 3.242 -3.689 1.00 11.43 C ATOM 943 CG2 ILE B 655 -3.290 1.246 -3.212 1.00 2.24 C ATOM 944 CD1 ILE B 655 -3.810 4.385 -4.046 1.00 43.22 C ATOM 0 H ILE B 655 -5.633 3.605 -1.026 1.00 13.11 H new ATOM 0 HA ILE B 655 -6.033 1.232 -2.495 1.00 54.22 H new ATOM 0 HB ILE B 655 -3.569 2.922 -1.922 1.00 71.22 H new ATOM 0 HG12 ILE B 655 -4.932 2.653 -4.584 1.00 11.43 H new ATOM 0 HG13 ILE B 655 -5.688 3.648 -3.356 1.00 11.43 H new ATOM 0 HG21 ILE B 655 -2.483 1.715 -3.775 1.00 2.24 H new ATOM 0 HG22 ILE B 655 -2.869 0.628 -2.419 1.00 2.24 H new ATOM 0 HG23 ILE B 655 -3.884 0.623 -3.880 1.00 2.24 H new ATOM 0 HD11 ILE B 655 -4.270 4.995 -4.823 1.00 43.22 H new ATOM 0 HD12 ILE B 655 -3.631 4.998 -3.162 1.00 43.22 H new ATOM 0 HD13 ILE B 655 -2.863 3.988 -4.410 1.00 43.22 H new ATOM 956 N PHE B 656 -4.019 1.025 0.135 1.00 72.13 N ATOM 957 CA PHE B 656 -3.415 0.092 1.081 1.00 23.01 C ATOM 958 C PHE B 656 -4.482 -0.770 1.751 1.00 2.12 C ATOM 959 O PHE B 656 -4.287 -1.966 1.958 1.00 1.31 O ATOM 960 CB PHE B 656 -2.618 0.854 2.142 1.00 42.10 C ATOM 961 CG PHE B 656 -2.219 0.005 3.316 1.00 24.22 C ATOM 962 CD1 PHE B 656 -1.792 -1.299 3.130 1.00 52.35 C ATOM 963 CD2 PHE B 656 -2.271 0.513 4.603 1.00 14.41 C ATOM 964 CE1 PHE B 656 -1.423 -2.083 4.207 1.00 74.32 C ATOM 965 CE2 PHE B 656 -1.903 -0.266 5.685 1.00 65.01 C ATOM 966 CZ PHE B 656 -1.480 -1.566 5.486 1.00 54.22 C ATOM 0 H PHE B 656 -3.829 2.008 0.332 1.00 72.13 H new ATOM 0 HA PHE B 656 -2.740 -0.561 0.529 1.00 23.01 H new ATOM 0 HB2 PHE B 656 -1.721 1.269 1.683 1.00 42.10 H new ATOM 0 HB3 PHE B 656 -3.213 1.695 2.498 1.00 42.10 H new ATOM 0 HD1 PHE B 656 -1.747 -1.708 2.132 1.00 52.35 H new ATOM 0 HD2 PHE B 656 -2.602 1.528 4.764 1.00 14.41 H new ATOM 0 HE1 PHE B 656 -1.091 -3.098 4.048 1.00 74.32 H new ATOM 0 HE2 PHE B 656 -1.946 0.142 6.684 1.00 65.01 H new ATOM 0 HZ PHE B 656 -1.194 -2.177 6.330 1.00 54.22 H new ATOM 976 N MET B 657 -5.609 -0.151 2.086 1.00 15.43 N ATOM 977 CA MET B 657 -6.707 -0.861 2.732 1.00 13.31 C ATOM 978 C MET B 657 -7.407 -1.791 1.747 1.00 22.21 C ATOM 979 O MET B 657 -7.530 -2.991 1.991 1.00 73.34 O ATOM 980 CB MET B 657 -7.713 0.134 3.314 1.00 54.22 C ATOM 981 CG MET B 657 -7.134 1.010 4.414 1.00 55.33 C ATOM 982 SD MET B 657 -8.402 1.678 5.509 1.00 73.44 S ATOM 983 CE MET B 657 -9.203 2.853 4.421 1.00 32.52 C ATOM 0 H MET B 657 -5.786 0.840 1.921 1.00 15.43 H new ATOM 0 HA MET B 657 -6.292 -1.463 3.541 1.00 13.31 H new ATOM 0 HB2 MET B 657 -8.087 0.771 2.512 1.00 54.22 H new ATOM 0 HB3 MET B 657 -8.567 -0.415 3.710 1.00 54.22 H new ATOM 0 HG2 MET B 657 -6.423 0.428 5.000 1.00 55.33 H new ATOM 0 HG3 MET B 657 -6.578 1.832 3.964 1.00 55.33 H new ATOM 0 HE1 MET B 657 -9.124 3.854 4.845 1.00 32.52 H new ATOM 0 HE2 MET B 657 -8.719 2.834 3.445 1.00 32.52 H new ATOM 0 HE3 MET B 657 -10.254 2.588 4.310 1.00 32.52 H new ATOM 993 N MET B 658 -7.864 -1.229 0.632 1.00 42.25 N ATOM 994 CA MET B 658 -8.551 -2.010 -0.391 1.00 35.21 C ATOM 995 C MET B 658 -7.673 -3.158 -0.880 1.00 15.12 C ATOM 996 O MET B 658 -8.089 -4.318 -0.873 1.00 21.02 O ATOM 997 CB MET B 658 -8.944 -1.116 -1.568 1.00 22.11 C ATOM 998 CG MET B 658 -10.159 -0.246 -1.291 1.00 23.24 C ATOM 999 SD MET B 658 -10.947 0.347 -2.801 1.00 32.24 S ATOM 1000 CE MET B 658 -9.515 0.834 -3.761 1.00 44.45 C ATOM 0 H MET B 658 -7.771 -0.237 0.414 1.00 42.25 H new ATOM 0 HA MET B 658 -9.453 -2.430 0.054 1.00 35.21 H new ATOM 0 HB2 MET B 658 -8.100 -0.476 -1.825 1.00 22.11 H new ATOM 0 HB3 MET B 658 -9.146 -1.742 -2.437 1.00 22.11 H new ATOM 0 HG2 MET B 658 -10.883 -0.815 -0.707 1.00 23.24 H new ATOM 0 HG3 MET B 658 -9.859 0.607 -0.683 1.00 23.24 H new ATOM 0 HE1 MET B 658 -9.769 1.691 -4.384 1.00 44.45 H new ATOM 0 HE2 MET B 658 -8.701 1.103 -3.088 1.00 44.45 H new ATOM 0 HE3 MET B 658 -9.203 0.004 -4.395 1.00 44.45 H new ATOM 1010 N LEU B 659 -6.458 -2.829 -1.302 1.00 24.42 N ATOM 1011 CA LEU B 659 -5.521 -3.832 -1.795 1.00 24.21 C ATOM 1012 C LEU B 659 -5.321 -4.942 -0.768 1.00 30.03 C ATOM 1013 O LEU B 659 -5.432 -6.124 -1.087 1.00 52.20 O ATOM 1014 CB LEU B 659 -4.177 -3.183 -2.130 1.00 22.14 C ATOM 1015 CG LEU B 659 -4.151 -2.297 -3.375 1.00 23.14 C ATOM 1016 CD1 LEU B 659 -2.732 -1.841 -3.678 1.00 50.04 C ATOM 1017 CD2 LEU B 659 -4.742 -3.035 -4.567 1.00 24.24 C ATOM 0 H LEU B 659 -6.098 -1.875 -1.313 1.00 24.42 H new ATOM 0 HA LEU B 659 -5.941 -4.271 -2.700 1.00 24.21 H new ATOM 0 HB2 LEU B 659 -3.863 -2.584 -1.276 1.00 22.14 H new ATOM 0 HB3 LEU B 659 -3.436 -3.973 -2.255 1.00 22.14 H new ATOM 0 HG LEU B 659 -4.760 -1.414 -3.181 1.00 23.14 H new ATOM 0 HD11 LEU B 659 -2.734 -1.211 -4.568 1.00 50.04 H new ATOM 0 HD12 LEU B 659 -2.344 -1.273 -2.833 1.00 50.04 H new ATOM 0 HD13 LEU B 659 -2.099 -2.711 -3.851 1.00 50.04 H new ATOM 0 HD21 LEU B 659 -4.715 -2.389 -5.445 1.00 24.24 H new ATOM 0 HD22 LEU B 659 -4.160 -3.936 -4.762 1.00 24.24 H new ATOM 0 HD23 LEU B 659 -5.774 -3.309 -4.350 1.00 24.24 H new ATOM 1029 N GLY B 660 -5.028 -4.550 0.469 1.00 43.22 N ATOM 1030 CA GLY B 660 -4.820 -5.523 1.525 1.00 11.41 C ATOM 1031 C GLY B 660 -6.046 -6.379 1.774 1.00 15.14 C ATOM 1032 O GLY B 660 -5.961 -7.606 1.798 1.00 13.53 O ATOM 0 H GLY B 660 -4.931 -3.577 0.758 1.00 43.22 H new ATOM 0 HA2 GLY B 660 -3.979 -6.165 1.263 1.00 11.41 H new ATOM 0 HA3 GLY B 660 -4.550 -5.004 2.445 1.00 11.41 H new ATOM 1036 N GLY B 661 -7.191 -5.729 1.965 1.00 54.34 N ATOM 1037 CA GLY B 661 -8.422 -6.454 2.215 1.00 4.02 C ATOM 1038 C GLY B 661 -8.861 -7.279 1.021 1.00 43.04 C ATOM 1039 O GLY B 661 -9.455 -8.347 1.178 1.00 31.35 O ATOM 0 H GLY B 661 -7.287 -4.714 1.951 1.00 54.34 H new ATOM 0 HA2 GLY B 661 -8.286 -7.109 3.075 1.00 4.02 H new ATOM 0 HA3 GLY B 661 -9.210 -5.747 2.474 1.00 4.02 H new ATOM 1043 N THR B 662 -8.570 -6.784 -0.178 1.00 44.14 N ATOM 1044 CA THR B 662 -8.940 -7.482 -1.404 1.00 10.55 C ATOM 1045 C THR B 662 -8.048 -8.695 -1.637 1.00 31.32 C ATOM 1046 O THR B 662 -8.535 -9.813 -1.806 1.00 14.03 O ATOM 1047 CB THR B 662 -8.854 -6.551 -2.628 1.00 71.45 C ATOM 1048 OG1 THR B 662 -9.819 -5.500 -2.513 1.00 32.34 O ATOM 1049 CG2 THR B 662 -9.092 -7.326 -3.915 1.00 74.32 C ATOM 0 H THR B 662 -8.079 -5.902 -0.327 1.00 44.14 H new ATOM 0 HA THR B 662 -9.971 -7.813 -1.281 1.00 10.55 H new ATOM 0 HB THR B 662 -7.853 -6.122 -2.661 1.00 71.45 H new ATOM 0 HG1 THR B 662 -9.471 -4.799 -1.923 1.00 32.34 H new ATOM 0 HG21 THR B 662 -9.026 -6.648 -4.766 1.00 74.32 H new ATOM 0 HG22 THR B 662 -8.338 -8.107 -4.014 1.00 74.32 H new ATOM 0 HG23 THR B 662 -10.083 -7.780 -3.888 1.00 74.32 H new ATOM 1057 N PHE B 663 -6.739 -8.468 -1.646 1.00 12.12 N ATOM 1058 CA PHE B 663 -5.778 -9.543 -1.860 1.00 34.11 C ATOM 1059 C PHE B 663 -6.010 -10.685 -0.874 1.00 11.03 C ATOM 1060 O PHE B 663 -6.205 -11.833 -1.271 1.00 44.43 O ATOM 1061 CB PHE B 663 -4.349 -9.014 -1.718 1.00 12.41 C ATOM 1062 CG PHE B 663 -3.370 -9.673 -2.648 1.00 50.13 C ATOM 1063 CD1 PHE B 663 -3.236 -11.052 -2.671 1.00 12.21 C ATOM 1064 CD2 PHE B 663 -2.584 -8.913 -3.498 1.00 44.12 C ATOM 1065 CE1 PHE B 663 -2.337 -11.661 -3.525 1.00 20.01 C ATOM 1066 CE2 PHE B 663 -1.684 -9.516 -4.356 1.00 51.43 C ATOM 1067 CZ PHE B 663 -1.559 -10.892 -4.368 1.00 0.41 C ATOM 0 H PHE B 663 -6.319 -7.549 -1.507 1.00 12.12 H new ATOM 0 HA PHE B 663 -5.918 -9.925 -2.871 1.00 34.11 H new ATOM 0 HB2 PHE B 663 -4.348 -7.940 -1.904 1.00 12.41 H new ATOM 0 HB3 PHE B 663 -4.016 -9.160 -0.690 1.00 12.41 H new ATOM 0 HD1 PHE B 663 -3.842 -11.658 -2.013 1.00 12.21 H new ATOM 0 HD2 PHE B 663 -2.675 -7.837 -3.490 1.00 44.12 H new ATOM 0 HE1 PHE B 663 -2.243 -12.737 -3.533 1.00 20.01 H new ATOM 0 HE2 PHE B 663 -1.079 -8.912 -5.016 1.00 51.43 H new ATOM 0 HZ PHE B 663 -0.854 -11.365 -5.035 1.00 0.41 H new ATOM 1077 N LEU B 664 -5.987 -10.359 0.414 1.00 1.51 N ATOM 1078 CA LEU B 664 -6.195 -11.356 1.459 1.00 5.23 C ATOM 1079 C LEU B 664 -7.528 -12.074 1.268 1.00 12.20 C ATOM 1080 O LEU B 664 -7.586 -13.304 1.266 1.00 11.22 O ATOM 1081 CB LEU B 664 -6.152 -10.696 2.838 1.00 24.23 C ATOM 1082 CG LEU B 664 -4.806 -10.103 3.255 1.00 22.12 C ATOM 1083 CD1 LEU B 664 -4.792 -9.809 4.747 1.00 72.44 C ATOM 1084 CD2 LEU B 664 -3.670 -11.046 2.885 1.00 2.43 C ATOM 0 H LEU B 664 -5.827 -9.413 0.760 1.00 1.51 H new ATOM 0 HA LEU B 664 -5.393 -12.091 1.390 1.00 5.23 H new ATOM 0 HB2 LEU B 664 -6.899 -9.903 2.863 1.00 24.23 H new ATOM 0 HB3 LEU B 664 -6.447 -11.436 3.582 1.00 24.23 H new ATOM 0 HG LEU B 664 -4.662 -9.165 2.719 1.00 22.12 H new ATOM 0 HD11 LEU B 664 -3.826 -9.387 5.026 1.00 72.44 H new ATOM 0 HD12 LEU B 664 -5.581 -9.096 4.985 1.00 72.44 H new ATOM 0 HD13 LEU B 664 -4.958 -10.733 5.301 1.00 72.44 H new ATOM 0 HD21 LEU B 664 -2.720 -10.608 3.189 1.00 2.43 H new ATOM 0 HD22 LEU B 664 -3.809 -12.000 3.393 1.00 2.43 H new ATOM 0 HD23 LEU B 664 -3.667 -11.207 1.807 1.00 2.43 H new ATOM 1096 N TYR B 665 -8.594 -11.299 1.105 1.00 33.11 N ATOM 1097 CA TYR B 665 -9.926 -11.861 0.914 1.00 11.11 C ATOM 1098 C TYR B 665 -9.952 -12.805 -0.284 1.00 13.15 C ATOM 1099 O TYR B 665 -10.487 -13.912 -0.206 1.00 33.35 O ATOM 1100 CB TYR B 665 -10.951 -10.743 0.719 1.00 15.31 C ATOM 1101 CG TYR B 665 -12.269 -11.222 0.155 1.00 23.42 C ATOM 1102 CD1 TYR B 665 -12.475 -11.288 -1.218 1.00 11.33 C ATOM 1103 CD2 TYR B 665 -13.308 -11.608 0.992 1.00 0.24 C ATOM 1104 CE1 TYR B 665 -13.678 -11.723 -1.739 1.00 44.44 C ATOM 1105 CE2 TYR B 665 -14.514 -12.046 0.480 1.00 33.03 C ATOM 1106 CZ TYR B 665 -14.695 -12.102 -0.886 1.00 60.55 C ATOM 1107 OH TYR B 665 -15.894 -12.537 -1.400 1.00 40.42 O ATOM 0 H TYR B 665 -8.562 -10.280 1.101 1.00 33.11 H new ATOM 0 HA TYR B 665 -10.184 -12.430 1.807 1.00 11.11 H new ATOM 0 HB2 TYR B 665 -11.131 -10.255 1.677 1.00 15.31 H new ATOM 0 HB3 TYR B 665 -10.532 -9.990 0.052 1.00 15.31 H new ATOM 0 HD1 TYR B 665 -11.681 -10.994 -1.889 1.00 11.33 H new ATOM 0 HD2 TYR B 665 -13.171 -11.565 2.062 1.00 0.24 H new ATOM 0 HE1 TYR B 665 -13.822 -11.766 -2.808 1.00 44.44 H new ATOM 0 HE2 TYR B 665 -15.311 -12.343 1.146 1.00 33.03 H new ATOM 0 HH TYR B 665 -16.501 -12.766 -0.665 1.00 40.42 H new ATOM 1117 N TRP B 666 -9.370 -12.360 -1.392 1.00 32.22 N ATOM 1118 CA TRP B 666 -9.326 -13.164 -2.608 1.00 73.35 C ATOM 1119 C TRP B 666 -8.584 -14.474 -2.367 1.00 54.35 C ATOM 1120 O TRP B 666 -9.094 -15.552 -2.670 1.00 4.21 O ATOM 1121 CB TRP B 666 -8.650 -12.382 -3.736 1.00 5.53 C ATOM 1122 CG TRP B 666 -9.285 -12.607 -5.076 1.00 71.13 C ATOM 1123 CD1 TRP B 666 -10.424 -12.024 -5.552 1.00 33.41 C ATOM 1124 CD2 TRP B 666 -8.816 -13.479 -6.110 1.00 12.30 C ATOM 1125 NE1 TRP B 666 -10.692 -12.480 -6.820 1.00 41.14 N ATOM 1126 CE2 TRP B 666 -9.720 -13.374 -7.186 1.00 33.13 C ATOM 1127 CE3 TRP B 666 -7.720 -14.337 -6.233 1.00 54.43 C ATOM 1128 CZ2 TRP B 666 -9.559 -14.095 -8.365 1.00 4.12 C ATOM 1129 CZ3 TRP B 666 -7.563 -15.053 -7.405 1.00 53.23 C ATOM 1130 CH2 TRP B 666 -8.477 -14.928 -8.459 1.00 13.03 C ATOM 0 H TRP B 666 -8.922 -11.447 -1.473 1.00 32.22 H new ATOM 0 HA TRP B 666 -10.351 -13.396 -2.898 1.00 73.35 H new ATOM 0 HB2 TRP B 666 -8.681 -11.318 -3.501 1.00 5.53 H new ATOM 0 HB3 TRP B 666 -7.599 -12.667 -3.787 1.00 5.53 H new ATOM 0 HD1 TRP B 666 -11.026 -11.309 -5.011 1.00 33.41 H new ATOM 0 HE1 TRP B 666 -11.486 -12.199 -7.396 1.00 41.14 H new ATOM 0 HE3 TRP B 666 -7.008 -14.439 -5.427 1.00 54.43 H new ATOM 0 HZ2 TRP B 666 -10.264 -14.001 -9.178 1.00 4.12 H new ATOM 0 HZ3 TRP B 666 -6.721 -15.721 -7.510 1.00 53.23 H new ATOM 0 HH2 TRP B 666 -8.325 -15.500 -9.363 1.00 13.03 H new ATOM 1141 N ARG B 667 -7.377 -14.374 -1.819 1.00 12.12 N ATOM 1142 CA ARG B 667 -6.565 -15.552 -1.538 1.00 43.34 C ATOM 1143 C ARG B 667 -7.341 -16.560 -0.695 1.00 5.55 C ATOM 1144 O ARG B 667 -7.157 -17.768 -0.828 1.00 43.04 O ATOM 1145 CB ARG B 667 -5.278 -15.150 -0.815 1.00 40.12 C ATOM 1146 CG ARG B 667 -4.128 -14.824 -1.755 1.00 53.41 C ATOM 1147 CD ARG B 667 -2.987 -14.137 -1.020 1.00 1.41 C ATOM 1148 NE ARG B 667 -2.138 -15.092 -0.314 1.00 32.21 N ATOM 1149 CZ ARG B 667 -1.170 -15.789 -0.900 1.00 33.11 C ATOM 1150 NH1 ARG B 667 -0.930 -15.637 -2.194 1.00 24.03 N ATOM 1151 NH2 ARG B 667 -0.440 -16.639 -0.189 1.00 21.11 N ATOM 0 H ARG B 667 -6.940 -13.489 -1.561 1.00 12.12 H new ATOM 0 HA ARG B 667 -6.309 -16.020 -2.488 1.00 43.34 H new ATOM 0 HB2 ARG B 667 -5.480 -14.282 -0.187 1.00 40.12 H new ATOM 0 HB3 ARG B 667 -4.976 -15.960 -0.152 1.00 40.12 H new ATOM 0 HG2 ARG B 667 -3.764 -15.741 -2.219 1.00 53.41 H new ATOM 0 HG3 ARG B 667 -4.485 -14.180 -2.559 1.00 53.41 H new ATOM 0 HD2 ARG B 667 -2.384 -13.573 -1.732 1.00 1.41 H new ATOM 0 HD3 ARG B 667 -3.394 -13.419 -0.308 1.00 1.41 H new ATOM 0 HE ARG B 667 -2.296 -15.232 0.684 1.00 32.21 H new ATOM 0 HH11 ARG B 667 -1.489 -14.984 -2.743 1.00 24.03 H new ATOM 0 HH12 ARG B 667 -0.186 -16.173 -2.641 1.00 24.03 H new ATOM 0 HH21 ARG B 667 -0.622 -16.758 0.808 1.00 21.11 H new ATOM 0 HH22 ARG B 667 0.303 -17.174 -0.639 1.00 21.11 H new ATOM 1165 N GLY B 668 -8.212 -16.051 0.173 1.00 73.24 N ATOM 1166 CA GLY B 668 -9.002 -16.920 1.024 1.00 54.42 C ATOM 1167 C GLY B 668 -10.164 -17.555 0.286 1.00 75.14 C ATOM 1168 O GLY B 668 -10.296 -18.780 0.260 1.00 34.53 O ATOM 0 H GLY B 668 -8.383 -15.054 0.301 1.00 73.24 H new ATOM 0 HA2 GLY B 668 -8.363 -17.703 1.431 1.00 54.42 H new ATOM 0 HA3 GLY B 668 -9.382 -16.347 1.870 1.00 54.42 H new ATOM 1172 N ARG B 669 -11.008 -16.723 -0.313 1.00 15.24 N ATOM 1173 CA ARG B 669 -12.166 -17.211 -1.052 1.00 2.35 C ATOM 1174 C ARG B 669 -11.741 -18.187 -2.145 1.00 15.21 C ATOM 1175 O ARG B 669 -12.482 -19.108 -2.490 1.00 51.01 O ATOM 1176 CB ARG B 669 -12.934 -16.040 -1.670 1.00 53.44 C ATOM 1177 CG ARG B 669 -12.390 -15.599 -3.018 1.00 32.32 C ATOM 1178 CD ARG B 669 -13.143 -14.392 -3.555 1.00 3.20 C ATOM 1179 NE ARG B 669 -13.463 -14.533 -4.973 1.00 13.10 N ATOM 1180 CZ ARG B 669 -14.430 -13.854 -5.580 1.00 0.11 C ATOM 1181 NH1 ARG B 669 -15.168 -12.991 -4.895 1.00 42.41 N ATOM 1182 NH2 ARG B 669 -14.660 -14.037 -6.873 1.00 64.51 N ATOM 0 H ARG B 669 -10.912 -15.708 -0.301 1.00 15.24 H new ATOM 0 HA ARG B 669 -12.817 -17.736 -0.353 1.00 2.35 H new ATOM 0 HB2 ARG B 669 -13.980 -16.323 -1.785 1.00 53.44 H new ATOM 0 HB3 ARG B 669 -12.906 -15.195 -0.982 1.00 53.44 H new ATOM 0 HG2 ARG B 669 -11.332 -15.356 -2.923 1.00 32.32 H new ATOM 0 HG3 ARG B 669 -12.465 -16.422 -3.729 1.00 32.32 H new ATOM 0 HD2 ARG B 669 -14.064 -14.257 -2.987 1.00 3.20 H new ATOM 0 HD3 ARG B 669 -12.542 -13.495 -3.406 1.00 3.20 H new ATOM 0 HE ARG B 669 -12.914 -15.189 -5.528 1.00 13.10 H new ATOM 0 HH11 ARG B 669 -14.994 -12.848 -3.900 1.00 42.41 H new ATOM 0 HH12 ARG B 669 -15.910 -12.471 -5.363 1.00 42.41 H new ATOM 0 HH21 ARG B 669 -14.094 -14.700 -7.403 1.00 64.51 H new ATOM 0 HH22 ARG B 669 -15.403 -13.515 -7.338 1.00 64.51 H new ATOM 1196 N ARG B 670 -10.545 -17.979 -2.686 1.00 55.40 N ATOM 1197 CA ARG B 670 -10.023 -18.839 -3.739 1.00 43.14 C ATOM 1198 C ARG B 670 -9.153 -19.948 -3.156 1.00 13.01 C ATOM 1199 O ARG B 670 -8.334 -20.544 -3.856 1.00 63.42 O ATOM 1200 CB ARG B 670 -9.213 -18.017 -4.744 1.00 64.00 C ATOM 1201 CG ARG B 670 -10.012 -16.905 -5.404 1.00 23.32 C ATOM 1202 CD ARG B 670 -10.170 -17.144 -6.898 1.00 34.32 C ATOM 1203 NE ARG B 670 -11.050 -18.274 -7.181 1.00 63.44 N ATOM 1204 CZ ARG B 670 -11.459 -18.598 -8.403 1.00 54.15 C ATOM 1205 NH1 ARG B 670 -11.071 -17.881 -9.448 1.00 63.54 N ATOM 1206 NH2 ARG B 670 -12.259 -19.642 -8.581 1.00 11.24 N ATOM 0 H ARG B 670 -9.920 -17.221 -2.412 1.00 55.40 H new ATOM 0 HA ARG B 670 -10.869 -19.296 -4.251 1.00 43.14 H new ATOM 0 HB2 ARG B 670 -8.352 -17.582 -4.236 1.00 64.00 H new ATOM 0 HB3 ARG B 670 -8.825 -18.682 -5.516 1.00 64.00 H new ATOM 0 HG2 ARG B 670 -10.996 -16.837 -4.939 1.00 23.32 H new ATOM 0 HG3 ARG B 670 -9.514 -15.950 -5.238 1.00 23.32 H new ATOM 0 HD2 ARG B 670 -10.570 -16.246 -7.368 1.00 34.32 H new ATOM 0 HD3 ARG B 670 -9.191 -17.327 -7.341 1.00 34.32 H new ATOM 0 HE ARG B 670 -11.368 -18.846 -6.398 1.00 63.44 H new ATOM 0 HH11 ARG B 670 -10.457 -17.078 -9.316 1.00 63.54 H new ATOM 0 HH12 ARG B 670 -11.387 -18.133 -10.385 1.00 63.54 H new ATOM 0 HH21 ARG B 670 -12.560 -20.196 -7.779 1.00 11.24 H new ATOM 0 HH22 ARG B 670 -12.573 -19.890 -9.519 1.00 11.24 H new ATOM 1220 N HIS B 671 -9.335 -20.220 -1.867 1.00 20.12 N ATOM 1221 CA HIS B 671 -8.567 -21.258 -1.189 1.00 35.24 C ATOM 1222 C HIS B 671 -8.644 -22.577 -1.950 1.00 14.33 C ATOM 1223 O HIS B 671 -7.715 -23.385 -1.909 1.00 13.42 O ATOM 1224 CB HIS B 671 -9.079 -21.448 0.240 1.00 62.04 C ATOM 1225 CG HIS B 671 -8.417 -22.578 0.967 1.00 75.01 C ATOM 1226 ND1 HIS B 671 -7.049 -22.687 1.104 1.00 61.31 N ATOM 1227 CD2 HIS B 671 -8.944 -23.652 1.601 1.00 65.54 C ATOM 1228 CE1 HIS B 671 -6.763 -23.780 1.788 1.00 14.11 C ATOM 1229 NE2 HIS B 671 -7.894 -24.383 2.103 1.00 43.42 N ATOM 0 H HIS B 671 -10.007 -19.736 -1.272 1.00 20.12 H new ATOM 0 HA HIS B 671 -7.525 -20.941 -1.155 1.00 35.24 H new ATOM 0 HB2 HIS B 671 -8.922 -20.526 0.799 1.00 62.04 H new ATOM 0 HB3 HIS B 671 -10.154 -21.625 0.212 1.00 62.04 H new ATOM 0 HD2 HIS B 671 -9.993 -23.890 1.695 1.00 65.54 H new ATOM 0 HE1 HIS B 671 -5.772 -24.122 2.046 1.00 14.11 H new ATOM 0 HE2 HIS B 671 -7.976 -25.251 2.633 1.00 43.42 H new ATOM 1237 N HIS B 672 -9.757 -22.790 -2.644 1.00 31.03 N ATOM 1238 CA HIS B 672 -9.955 -24.012 -3.415 1.00 2.41 C ATOM 1239 C HIS B 672 -8.773 -24.266 -4.345 1.00 74.21 C ATOM 1240 O HIS B 672 -8.545 -23.517 -5.295 1.00 23.34 O ATOM 1241 CB HIS B 672 -11.247 -23.923 -4.228 1.00 1.44 C ATOM 1242 CG HIS B 672 -11.890 -25.253 -4.479 1.00 13.22 C ATOM 1243 ND1 HIS B 672 -12.835 -25.459 -5.463 1.00 74.31 N ATOM 1244 CD2 HIS B 672 -11.719 -26.447 -3.867 1.00 54.34 C ATOM 1245 CE1 HIS B 672 -13.217 -26.723 -5.444 1.00 71.31 C ATOM 1246 NE2 HIS B 672 -12.555 -27.345 -4.485 1.00 61.33 N ATOM 0 H HIS B 672 -10.536 -22.132 -2.688 1.00 31.03 H new ATOM 0 HA HIS B 672 -10.030 -24.845 -2.716 1.00 2.41 H new ATOM 0 HB2 HIS B 672 -11.954 -23.280 -3.703 1.00 1.44 H new ATOM 0 HB3 HIS B 672 -11.033 -23.446 -5.184 1.00 1.44 H new ATOM 0 HD2 HIS B 672 -11.050 -26.656 -3.045 1.00 54.34 H new ATOM 0 HE1 HIS B 672 -13.947 -27.172 -6.101 1.00 71.31 H new ATOM 0 HE2 HIS B 672 -12.649 -28.331 -4.243 1.00 61.33 H new ATOM 1254 N HIS B 673 -8.023 -25.327 -4.064 1.00 21.41 N ATOM 1255 CA HIS B 673 -6.863 -25.679 -4.875 1.00 54.21 C ATOM 1256 C HIS B 673 -7.291 -26.384 -6.158 1.00 70.11 C ATOM 1257 O HIS B 673 -7.352 -27.613 -6.214 1.00 70.22 O ATOM 1258 CB HIS B 673 -5.912 -26.576 -4.080 1.00 32.34 C ATOM 1259 CG HIS B 673 -5.311 -25.901 -2.885 1.00 65.51 C ATOM 1260 ND1 HIS B 673 -5.576 -26.288 -1.590 1.00 1.41 N ATOM 1261 CD2 HIS B 673 -4.451 -24.859 -2.797 1.00 71.10 C ATOM 1262 CE1 HIS B 673 -4.908 -25.513 -0.754 1.00 61.15 C ATOM 1263 NE2 HIS B 673 -4.217 -24.638 -1.462 1.00 73.53 N ATOM 0 H HIS B 673 -8.198 -25.957 -3.281 1.00 21.41 H new ATOM 0 HA HIS B 673 -6.345 -24.758 -5.142 1.00 54.21 H new ATOM 0 HB2 HIS B 673 -6.452 -27.464 -3.752 1.00 32.34 H new ATOM 0 HB3 HIS B 673 -5.111 -26.915 -4.737 1.00 32.34 H new ATOM 0 HD2 HIS B 673 -4.028 -24.305 -3.622 1.00 71.10 H new ATOM 0 HE1 HIS B 673 -4.924 -25.583 0.324 1.00 61.15 H new ATOM 0 HE2 HIS B 673 -3.608 -23.915 -1.079 1.00 73.53 H new ATOM 1271 N HIS B 674 -7.588 -25.598 -7.188 1.00 45.13 N ATOM 1272 CA HIS B 674 -8.011 -26.146 -8.472 1.00 42.55 C ATOM 1273 C HIS B 674 -7.598 -25.229 -9.618 1.00 45.21 C ATOM 1274 O HIS B 674 -8.388 -24.407 -10.085 1.00 74.32 O ATOM 1275 CB HIS B 674 -9.527 -26.352 -8.488 1.00 34.21 C ATOM 1276 CG HIS B 674 -9.996 -27.265 -9.578 1.00 70.25 C ATOM 1277 ND1 HIS B 674 -11.238 -27.864 -9.576 1.00 11.15 N ATOM 1278 CD2 HIS B 674 -9.382 -27.681 -10.711 1.00 52.20 C ATOM 1279 CE1 HIS B 674 -11.368 -28.609 -10.660 1.00 34.12 C ATOM 1280 NE2 HIS B 674 -10.255 -28.514 -11.365 1.00 53.32 N ATOM 0 H HIS B 674 -7.544 -24.579 -7.159 1.00 45.13 H new ATOM 0 HA HIS B 674 -7.519 -27.109 -8.607 1.00 42.55 H new ATOM 0 HB2 HIS B 674 -9.840 -26.757 -7.526 1.00 34.21 H new ATOM 0 HB3 HIS B 674 -10.016 -25.384 -8.601 1.00 34.21 H new ATOM 0 HD2 HIS B 674 -8.390 -27.408 -11.039 1.00 52.20 H new ATOM 0 HE1 HIS B 674 -12.236 -29.195 -10.924 1.00 34.12 H new ATOM 0 HE2 HIS B 674 -10.074 -28.984 -12.252 1.00 53.32 H new ATOM 1288 N HIS B 675 -6.356 -25.373 -10.068 1.00 54.11 N ATOM 1289 CA HIS B 675 -5.837 -24.557 -11.159 1.00 4.32 C ATOM 1290 C HIS B 675 -5.796 -25.353 -12.461 1.00 32.33 C ATOM 1291 O HIS B 675 -5.434 -26.530 -12.469 1.00 14.42 O ATOM 1292 CB HIS B 675 -4.439 -24.041 -10.819 1.00 61.32 C ATOM 1293 CG HIS B 675 -3.875 -23.113 -11.851 1.00 4.32 C ATOM 1294 ND1 HIS B 675 -4.547 -22.000 -12.309 1.00 3.13 N ATOM 1295 CD2 HIS B 675 -2.695 -23.138 -12.512 1.00 23.11 C ATOM 1296 CE1 HIS B 675 -3.805 -21.381 -13.210 1.00 1.31 C ATOM 1297 NE2 HIS B 675 -2.676 -22.050 -13.351 1.00 61.02 N ATOM 0 H HIS B 675 -5.690 -26.048 -9.693 1.00 54.11 H new ATOM 0 HA HIS B 675 -6.506 -23.707 -11.294 1.00 4.32 H new ATOM 0 HB2 HIS B 675 -4.475 -23.525 -9.859 1.00 61.32 H new ATOM 0 HB3 HIS B 675 -3.766 -24.890 -10.700 1.00 61.32 H new ATOM 0 HD2 HIS B 675 -1.914 -23.875 -12.401 1.00 23.11 H new ATOM 0 HE1 HIS B 675 -4.076 -20.480 -13.741 1.00 1.31 H new ATOM 0 HE2 HIS B 675 -1.913 -21.800 -13.980 1.00 61.02 H new ATOM 1305 N HIS B 676 -6.169 -24.703 -13.558 1.00 0.02 N ATOM 1306 CA HIS B 676 -6.175 -25.349 -14.865 1.00 40.05 C ATOM 1307 C HIS B 676 -7.122 -26.546 -14.875 1.00 60.51 C ATOM 1308 O HIS B 676 -7.134 -27.333 -15.823 1.00 34.44 O ATOM 1309 CB HIS B 676 -4.762 -25.799 -15.242 1.00 10.32 C ATOM 1310 CG HIS B 676 -4.100 -24.912 -16.250 1.00 62.35 C ATOM 1311 ND1 HIS B 676 -3.457 -25.394 -17.370 1.00 50.24 N ATOM 1312 CD2 HIS B 676 -3.984 -23.564 -16.304 1.00 14.43 C ATOM 1313 CE1 HIS B 676 -2.973 -24.382 -18.068 1.00 40.42 C ATOM 1314 NE2 HIS B 676 -3.281 -23.261 -17.442 1.00 70.34 N ATOM 0 H HIS B 676 -6.471 -23.729 -13.568 1.00 0.02 H new ATOM 0 HA HIS B 676 -6.526 -24.624 -15.600 1.00 40.05 H new ATOM 0 HB2 HIS B 676 -4.148 -25.833 -14.342 1.00 10.32 H new ATOM 0 HB3 HIS B 676 -4.806 -26.814 -15.637 1.00 10.32 H new ATOM 0 HD2 HIS B 676 -4.373 -22.859 -15.585 1.00 14.43 H new ATOM 0 HE1 HIS B 676 -2.420 -24.459 -18.993 1.00 40.42 H new ATOM 0 HE2 HIS B 676 -3.036 -22.321 -17.754 1.00 70.34 H new TER 1322 HIS B 676