USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 804 hydrogens (21 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 GLN : amide:sc= -0.21 K(o=0.075,f=-3!) USER MOD Set 1.2: A 74 TYR OH : rot -106:sc= 0.284 USER MOD Set 2.1: A 28 HIS : no HD1:sc= -0.68 K(o=-0.67,f=-8!) USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0.00498 USER MOD Set 3.1: A 24 THR OG1 : rot -18:sc= 0.847 USER MOD Set 3.2: A 27 SER OG : rot -162:sc= 2.03 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0475) USER MOD Single : A 2 THR OG1 : rot 180:sc=-0.000326 USER MOD Single : A 3 SER OG : rot -63:sc= 0.668 USER MOD Single : A 4 THR OG1 : rot 149:sc= 0.0956 USER MOD Single : A 10 THR OG1 : rot 76:sc= 1.46 USER MOD Single : A 15 THR OG1 : rot 80:sc= 1.02 USER MOD Single : A 16 CYS SG : rot -40:sc= -4.62! USER MOD Single : A 22 THR OG1 : rot -20:sc= 1.25 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -137:sc= 0.98 (180deg=-0.288) USER MOD Single : A 59 LYS NZ :NH3+ 176:sc= 0.65 (180deg=0.634) USER MOD Single : A 61 THR OG1 : rot 69:sc= 0.834 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 65 ASN : amide:sc= -1.43 K(o=-1.4,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 137:sc= 1.19 (180deg=0.0203) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 156:sc= 0.421 (180deg=0.0725) USER MOD Single : A 79 ASN : amide:sc= -1.07 K(o=-1.1,f=-4.6!) USER MOD Single : A 91 LYS NZ :NH3+ -161:sc= 0.0921 (180deg=-0.0726) USER MOD Single : A 96 HIS : no HD1:sc= -0.0747 X(o=-0.075,f=-0.0094) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 99 HIS : no HD1:sc= -1.49! K(o=-1.5!,f=-0.0017) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 PNS O33 : rot 120:sc= -0.717 USER MOD Single : A 102 PNS S44 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.483 5.824 -3.034 1.00 0.00 N ATOM 2 CA MET A 1 -16.782 5.994 -1.597 1.00 0.00 C ATOM 3 C MET A 1 -15.521 5.746 -0.760 1.00 0.00 C ATOM 4 O MET A 1 -14.974 6.684 -0.164 1.00 0.00 O ATOM 5 CB MET A 1 -17.956 5.068 -1.165 1.00 0.00 C ATOM 6 CG MET A 1 -19.301 5.407 -1.819 1.00 0.00 C ATOM 7 SD MET A 1 -20.652 4.346 -1.252 1.00 0.00 S ATOM 8 CE MET A 1 -22.050 5.082 -2.105 1.00 0.00 C ATOM 0 H1 MET A 1 -17.316 6.093 -3.596 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.679 6.429 -3.295 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.244 4.830 -3.224 1.00 0.00 H new ATOM 0 HA MET A 1 -17.101 7.021 -1.421 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.698 4.037 -1.406 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.068 5.124 -0.082 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.550 6.447 -1.607 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.205 5.317 -2.901 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.959 4.535 -1.854 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.157 6.122 -1.798 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.885 5.036 -3.181 1.00 0.00 H new ATOM 20 N THR A 2 -15.036 4.493 -0.737 1.00 0.00 N ATOM 21 CA THR A 2 -13.894 4.105 0.111 1.00 0.00 C ATOM 22 C THR A 2 -13.028 3.030 -0.595 1.00 0.00 C ATOM 23 O THR A 2 -13.280 1.824 -0.467 1.00 0.00 O ATOM 24 CB THR A 2 -14.397 3.595 1.516 1.00 0.00 C ATOM 25 OG1 THR A 2 -15.322 4.543 2.083 1.00 0.00 O ATOM 26 CG2 THR A 2 -13.248 3.371 2.517 1.00 0.00 C ATOM 0 H THR A 2 -15.417 3.730 -1.296 1.00 0.00 H new ATOM 0 HA THR A 2 -13.270 4.984 0.274 1.00 0.00 H new ATOM 0 HB THR A 2 -14.883 2.635 1.341 1.00 0.00 H new ATOM 0 HG1 THR A 2 -15.631 4.218 2.954 1.00 0.00 H new ATOM 0 HG21 THR A 2 -13.655 3.021 3.466 1.00 0.00 H new ATOM 0 HG22 THR A 2 -12.560 2.625 2.120 1.00 0.00 H new ATOM 0 HG23 THR A 2 -12.715 4.309 2.675 1.00 0.00 H new ATOM 34 N SER A 3 -12.047 3.491 -1.394 1.00 0.00 N ATOM 35 CA SER A 3 -11.017 2.625 -2.007 1.00 0.00 C ATOM 36 C SER A 3 -9.672 2.828 -1.280 1.00 0.00 C ATOM 37 O SER A 3 -9.585 3.648 -0.350 1.00 0.00 O ATOM 38 CB SER A 3 -10.877 2.954 -3.516 1.00 0.00 C ATOM 39 OG SER A 3 -10.425 4.286 -3.721 1.00 0.00 O ATOM 0 H SER A 3 -11.945 4.477 -1.634 1.00 0.00 H new ATOM 0 HA SER A 3 -11.315 1.581 -1.909 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.178 2.257 -3.978 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.839 2.815 -4.010 1.00 0.00 H new ATOM 0 HG SER A 3 -11.089 4.915 -3.369 1.00 0.00 H new ATOM 45 N THR A 4 -8.625 2.087 -1.719 1.00 0.00 N ATOM 46 CA THR A 4 -7.248 2.256 -1.207 1.00 0.00 C ATOM 47 C THR A 4 -6.768 3.702 -1.420 1.00 0.00 C ATOM 48 O THR A 4 -6.195 4.301 -0.512 1.00 0.00 O ATOM 49 CB THR A 4 -6.244 1.258 -1.883 1.00 0.00 C ATOM 50 OG1 THR A 4 -6.704 -0.089 -1.681 1.00 0.00 O ATOM 51 CG2 THR A 4 -4.815 1.391 -1.319 1.00 0.00 C ATOM 0 H THR A 4 -8.712 1.362 -2.432 1.00 0.00 H new ATOM 0 HA THR A 4 -7.272 2.035 -0.140 1.00 0.00 H new ATOM 0 HB THR A 4 -6.206 1.501 -2.945 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.433 -0.645 -2.442 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.159 0.679 -1.819 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.449 2.404 -1.490 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.826 1.185 -0.249 1.00 0.00 H new ATOM 59 N PHE A 5 -7.066 4.252 -2.619 1.00 0.00 N ATOM 60 CA PHE A 5 -6.713 5.636 -2.974 1.00 0.00 C ATOM 61 C PHE A 5 -7.367 6.634 -2.001 1.00 0.00 C ATOM 62 O PHE A 5 -6.698 7.542 -1.524 1.00 0.00 O ATOM 63 CB PHE A 5 -7.115 5.982 -4.441 1.00 0.00 C ATOM 64 CG PHE A 5 -6.875 7.458 -4.798 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.580 7.935 -5.028 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.929 8.377 -4.840 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.353 9.272 -5.284 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.696 9.714 -5.107 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.410 10.159 -5.322 1.00 0.00 C ATOM 0 H PHE A 5 -7.555 3.749 -3.360 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.629 5.719 -2.895 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.548 5.352 -5.126 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.169 5.745 -4.589 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.747 7.248 -5.005 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.939 8.038 -4.661 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.347 9.625 -5.455 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.522 10.409 -5.147 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.228 11.205 -5.521 1.00 0.00 H new ATOM 79 N ASP A 6 -8.683 6.453 -1.729 1.00 0.00 N ATOM 80 CA ASP A 6 -9.446 7.351 -0.820 1.00 0.00 C ATOM 81 C ASP A 6 -8.826 7.386 0.577 1.00 0.00 C ATOM 82 O ASP A 6 -8.741 8.452 1.190 1.00 0.00 O ATOM 83 CB ASP A 6 -10.939 6.931 -0.704 1.00 0.00 C ATOM 84 CG ASP A 6 -11.742 7.276 -1.959 1.00 0.00 C ATOM 85 OD1 ASP A 6 -11.908 8.482 -2.250 1.00 0.00 O ATOM 86 OD2 ASP A 6 -12.195 6.359 -2.668 1.00 0.00 O ATOM 0 H ASP A 6 -9.239 5.695 -2.124 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.397 8.346 -1.262 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.998 5.858 -0.522 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.387 7.426 0.158 1.00 0.00 H new ATOM 91 N ARG A 7 -8.410 6.200 1.060 1.00 0.00 N ATOM 92 CA ARG A 7 -7.776 6.049 2.382 1.00 0.00 C ATOM 93 C ARG A 7 -6.442 6.798 2.444 1.00 0.00 C ATOM 94 O ARG A 7 -6.258 7.661 3.301 1.00 0.00 O ATOM 95 CB ARG A 7 -7.569 4.551 2.721 1.00 0.00 C ATOM 96 CG ARG A 7 -8.868 3.714 2.821 1.00 0.00 C ATOM 97 CD ARG A 7 -9.932 4.294 3.791 1.00 0.00 C ATOM 98 NE ARG A 7 -10.686 5.421 3.189 1.00 0.00 N ATOM 99 CZ ARG A 7 -11.335 6.373 3.871 1.00 0.00 C ATOM 100 NH1 ARG A 7 -11.317 6.403 5.194 1.00 0.00 N ATOM 101 NH2 ARG A 7 -11.983 7.321 3.216 1.00 0.00 N ATOM 0 H ARG A 7 -8.504 5.324 0.547 1.00 0.00 H new ATOM 0 HA ARG A 7 -8.445 6.485 3.124 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -6.927 4.108 1.960 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.035 4.479 3.669 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.308 3.629 1.827 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.612 2.705 3.144 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -10.628 3.506 4.077 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.442 4.633 4.704 1.00 0.00 H new ATOM 0 HE ARG A 7 -10.712 5.475 2.171 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.802 5.692 5.713 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -11.818 7.137 5.694 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -11.987 7.325 2.196 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -12.479 8.049 3.731 1.00 0.00 H new ATOM 115 N VAL A 8 -5.553 6.470 1.490 1.00 0.00 N ATOM 116 CA VAL A 8 -4.206 7.066 1.360 1.00 0.00 C ATOM 117 C VAL A 8 -4.295 8.598 1.193 1.00 0.00 C ATOM 118 O VAL A 8 -3.510 9.332 1.780 1.00 0.00 O ATOM 119 CB VAL A 8 -3.428 6.405 0.152 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.058 7.092 -0.109 1.00 0.00 C ATOM 121 CG2 VAL A 8 -3.250 4.880 0.396 1.00 0.00 C ATOM 0 H VAL A 8 -5.751 5.771 0.774 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.649 6.866 2.276 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.029 6.549 -0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.560 6.604 -0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.218 8.144 -0.344 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.434 7.010 0.781 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.713 4.438 -0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.683 4.722 1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.229 4.410 0.489 1.00 0.00 H new ATOM 131 N ALA A 9 -5.300 9.046 0.427 1.00 0.00 N ATOM 132 CA ALA A 9 -5.555 10.467 0.149 1.00 0.00 C ATOM 133 C ALA A 9 -5.919 11.231 1.435 1.00 0.00 C ATOM 134 O ALA A 9 -5.414 12.333 1.675 1.00 0.00 O ATOM 135 CB ALA A 9 -6.676 10.604 -0.896 1.00 0.00 C ATOM 0 H ALA A 9 -5.969 8.422 -0.024 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.641 10.907 -0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.859 11.660 -1.097 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.377 10.106 -1.818 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.587 10.144 -0.514 1.00 0.00 H new ATOM 141 N THR A 10 -6.819 10.627 2.250 1.00 0.00 N ATOM 142 CA THR A 10 -7.226 11.186 3.559 1.00 0.00 C ATOM 143 C THR A 10 -6.025 11.227 4.520 1.00 0.00 C ATOM 144 O THR A 10 -5.841 12.205 5.249 1.00 0.00 O ATOM 145 CB THR A 10 -8.391 10.365 4.220 1.00 0.00 C ATOM 146 OG1 THR A 10 -9.415 10.088 3.256 1.00 0.00 O ATOM 147 CG2 THR A 10 -9.020 11.119 5.406 1.00 0.00 C ATOM 0 H THR A 10 -7.279 9.746 2.019 1.00 0.00 H new ATOM 0 HA THR A 10 -7.589 12.197 3.373 1.00 0.00 H new ATOM 0 HB THR A 10 -7.958 9.435 4.587 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.114 9.374 2.655 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.821 10.518 5.835 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.259 11.304 6.164 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.425 12.069 5.059 1.00 0.00 H new ATOM 155 N ILE A 11 -5.215 10.151 4.485 1.00 0.00 N ATOM 156 CA ILE A 11 -3.988 10.027 5.290 1.00 0.00 C ATOM 157 C ILE A 11 -3.009 11.175 4.973 1.00 0.00 C ATOM 158 O ILE A 11 -2.582 11.874 5.879 1.00 0.00 O ATOM 159 CB ILE A 11 -3.303 8.612 5.070 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.193 7.487 5.688 1.00 0.00 C ATOM 161 CG2 ILE A 11 -1.858 8.569 5.630 1.00 0.00 C ATOM 162 CD1 ILE A 11 -3.727 6.063 5.426 1.00 0.00 C ATOM 0 H ILE A 11 -5.396 9.340 3.894 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.264 10.101 6.342 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.220 8.440 3.997 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.245 7.641 6.766 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.206 7.596 5.301 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.430 7.582 5.457 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.250 9.321 5.127 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.876 8.774 6.700 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.415 5.362 5.899 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.703 5.880 4.352 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.728 5.925 5.840 1.00 0.00 H new ATOM 174 N ILE A 12 -2.727 11.402 3.677 1.00 0.00 N ATOM 175 CA ILE A 12 -1.746 12.419 3.227 1.00 0.00 C ATOM 176 C ILE A 12 -2.221 13.833 3.612 1.00 0.00 C ATOM 177 O ILE A 12 -1.436 14.656 4.102 1.00 0.00 O ATOM 178 CB ILE A 12 -1.530 12.316 1.666 1.00 0.00 C ATOM 179 CG1 ILE A 12 -0.864 10.955 1.296 1.00 0.00 C ATOM 180 CG2 ILE A 12 -0.713 13.504 1.109 1.00 0.00 C ATOM 181 CD1 ILE A 12 -0.688 10.714 -0.190 1.00 0.00 C ATOM 0 H ILE A 12 -3.168 10.891 2.912 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.795 12.228 3.724 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.513 12.363 1.197 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.113 10.903 1.776 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.467 10.147 1.711 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.591 13.388 0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.238 14.436 1.317 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.267 13.526 1.585 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.217 9.744 -0.348 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.662 10.729 -0.679 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.058 11.496 -0.613 1.00 0.00 H new ATOM 193 N ALA A 13 -3.518 14.074 3.379 1.00 0.00 N ATOM 194 CA ALA A 13 -4.194 15.330 3.725 1.00 0.00 C ATOM 195 C ALA A 13 -4.055 15.678 5.230 1.00 0.00 C ATOM 196 O ALA A 13 -3.685 16.799 5.582 1.00 0.00 O ATOM 197 CB ALA A 13 -5.674 15.224 3.322 1.00 0.00 C ATOM 0 H ALA A 13 -4.135 13.392 2.939 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.716 16.142 3.177 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.187 16.152 3.574 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.747 15.049 2.249 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.138 14.396 3.857 1.00 0.00 H new ATOM 203 N GLU A 14 -4.331 14.687 6.103 1.00 0.00 N ATOM 204 CA GLU A 14 -4.286 14.862 7.577 1.00 0.00 C ATOM 205 C GLU A 14 -2.836 14.862 8.127 1.00 0.00 C ATOM 206 O GLU A 14 -2.555 15.531 9.128 1.00 0.00 O ATOM 207 CB GLU A 14 -5.144 13.768 8.282 1.00 0.00 C ATOM 208 CG GLU A 14 -6.645 13.834 7.940 1.00 0.00 C ATOM 209 CD GLU A 14 -7.484 12.788 8.695 1.00 0.00 C ATOM 210 OE1 GLU A 14 -7.374 11.587 8.379 1.00 0.00 O ATOM 211 OE2 GLU A 14 -8.247 13.156 9.612 1.00 0.00 O ATOM 0 H GLU A 14 -4.591 13.745 5.811 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.709 15.842 7.799 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.761 12.786 8.005 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.023 13.865 9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.021 14.830 8.174 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.774 13.688 6.867 1.00 0.00 H new ATOM 218 N THR A 15 -1.920 14.134 7.459 1.00 0.00 N ATOM 219 CA THR A 15 -0.528 13.965 7.930 1.00 0.00 C ATOM 220 C THR A 15 0.327 15.211 7.629 1.00 0.00 C ATOM 221 O THR A 15 0.944 15.782 8.535 1.00 0.00 O ATOM 222 CB THR A 15 0.139 12.686 7.300 1.00 0.00 C ATOM 223 OG1 THR A 15 -0.572 11.508 7.726 1.00 0.00 O ATOM 224 CG2 THR A 15 1.622 12.533 7.684 1.00 0.00 C ATOM 0 H THR A 15 -2.120 13.649 6.584 1.00 0.00 H new ATOM 0 HA THR A 15 -0.572 13.834 9.011 1.00 0.00 H new ATOM 0 HB THR A 15 0.086 12.806 6.218 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.385 11.405 7.189 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.027 11.634 7.220 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.179 13.403 7.337 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.711 12.454 8.767 1.00 0.00 H new ATOM 232 N CYS A 16 0.334 15.648 6.361 1.00 0.00 N ATOM 233 CA CYS A 16 1.264 16.691 5.878 1.00 0.00 C ATOM 234 C CYS A 16 0.528 18.000 5.504 1.00 0.00 C ATOM 235 O CYS A 16 1.155 18.918 4.962 1.00 0.00 O ATOM 236 CB CYS A 16 2.055 16.129 4.674 1.00 0.00 C ATOM 237 SG CYS A 16 3.005 14.644 5.066 1.00 0.00 S ATOM 0 H CYS A 16 -0.298 15.294 5.643 1.00 0.00 H new ATOM 0 HA CYS A 16 1.952 16.950 6.683 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.359 15.903 3.866 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.734 16.898 4.304 1.00 0.00 H new ATOM 0 HG CYS A 16 3.544 14.772 6.242 1.00 0.00 H new ATOM 243 N ASP A 17 -0.790 18.075 5.820 1.00 0.00 N ATOM 244 CA ASP A 17 -1.654 19.252 5.523 1.00 0.00 C ATOM 245 C ASP A 17 -1.633 19.584 4.012 1.00 0.00 C ATOM 246 O ASP A 17 -1.348 20.710 3.584 1.00 0.00 O ATOM 247 CB ASP A 17 -1.268 20.464 6.434 1.00 0.00 C ATOM 248 CG ASP A 17 -2.130 21.732 6.229 1.00 0.00 C ATOM 249 OD1 ASP A 17 -3.374 21.645 6.290 1.00 0.00 O ATOM 250 OD2 ASP A 17 -1.556 22.828 6.042 1.00 0.00 O ATOM 0 H ASP A 17 -1.288 17.319 6.290 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.689 19.007 5.763 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.344 20.155 7.477 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.224 20.719 6.252 1.00 0.00 H new ATOM 255 N ILE A 18 -1.900 18.548 3.207 1.00 0.00 N ATOM 256 CA ILE A 18 -1.953 18.657 1.741 1.00 0.00 C ATOM 257 C ILE A 18 -3.421 18.821 1.312 1.00 0.00 C ATOM 258 O ILE A 18 -4.267 18.042 1.767 1.00 0.00 O ATOM 259 CB ILE A 18 -1.320 17.389 1.051 1.00 0.00 C ATOM 260 CG1 ILE A 18 0.113 17.116 1.607 1.00 0.00 C ATOM 261 CG2 ILE A 18 -1.292 17.543 -0.494 1.00 0.00 C ATOM 262 CD1 ILE A 18 1.129 18.208 1.342 1.00 0.00 C ATOM 0 H ILE A 18 -2.086 17.607 3.554 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.372 19.524 1.426 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.949 16.531 1.288 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.044 16.961 2.684 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.482 16.186 1.174 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.850 16.652 -0.940 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.309 17.668 -0.866 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.697 18.416 -0.762 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.091 17.922 1.768 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.237 18.352 0.267 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.792 19.138 1.800 1.00 0.00 H new ATOM 274 N PRO A 19 -3.763 19.850 0.461 1.00 0.00 N ATOM 275 CA PRO A 19 -5.141 20.026 -0.061 1.00 0.00 C ATOM 276 C PRO A 19 -5.646 18.754 -0.777 1.00 0.00 C ATOM 277 O PRO A 19 -5.014 18.283 -1.725 1.00 0.00 O ATOM 278 CB PRO A 19 -5.012 21.220 -1.053 1.00 0.00 C ATOM 279 CG PRO A 19 -3.798 21.967 -0.586 1.00 0.00 C ATOM 280 CD PRO A 19 -2.850 20.910 -0.060 1.00 0.00 C ATOM 0 HA PRO A 19 -5.866 20.212 0.732 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.894 20.872 -2.079 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.900 21.852 -1.031 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.345 22.529 -1.403 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.055 22.686 0.192 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.199 20.528 -0.846 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.204 21.305 0.725 1.00 0.00 H new ATOM 288 N ARG A 20 -6.752 18.185 -0.269 1.00 0.00 N ATOM 289 CA ARG A 20 -7.415 16.992 -0.841 1.00 0.00 C ATOM 290 C ARG A 20 -7.678 17.143 -2.368 1.00 0.00 C ATOM 291 O ARG A 20 -7.553 16.176 -3.122 1.00 0.00 O ATOM 292 CB ARG A 20 -8.740 16.730 -0.058 1.00 0.00 C ATOM 293 CG ARG A 20 -9.563 15.511 -0.529 1.00 0.00 C ATOM 294 CD ARG A 20 -8.903 14.153 -0.232 1.00 0.00 C ATOM 295 NE ARG A 20 -9.685 13.042 -0.823 1.00 0.00 N ATOM 296 CZ ARG A 20 -9.932 11.856 -0.252 1.00 0.00 C ATOM 297 NH1 ARG A 20 -9.506 11.589 0.976 1.00 0.00 N ATOM 298 NH2 ARG A 20 -10.603 10.928 -0.926 1.00 0.00 N ATOM 0 H ARG A 20 -7.221 18.543 0.563 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.751 16.135 -0.733 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.498 16.597 0.996 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.366 17.619 -0.131 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.541 15.540 -0.049 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.732 15.593 -1.603 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.889 14.142 -0.632 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.822 14.012 0.846 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.072 13.195 -1.754 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.983 12.292 1.498 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.702 10.681 1.398 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.927 11.121 -1.874 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.794 10.023 -0.496 1.00 0.00 H new ATOM 312 N GLU A 21 -7.982 18.382 -2.798 1.00 0.00 N ATOM 313 CA GLU A 21 -8.277 18.718 -4.213 1.00 0.00 C ATOM 314 C GLU A 21 -7.046 18.537 -5.137 1.00 0.00 C ATOM 315 O GLU A 21 -7.203 18.222 -6.322 1.00 0.00 O ATOM 316 CB GLU A 21 -8.810 20.174 -4.296 1.00 0.00 C ATOM 317 CG GLU A 21 -7.830 21.256 -3.790 1.00 0.00 C ATOM 318 CD GLU A 21 -8.485 22.636 -3.631 1.00 0.00 C ATOM 319 OE1 GLU A 21 -9.040 22.917 -2.546 1.00 0.00 O ATOM 320 OE2 GLU A 21 -8.460 23.440 -4.587 1.00 0.00 O ATOM 0 H GLU A 21 -8.031 19.187 -2.173 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.037 18.022 -4.569 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.066 20.393 -5.333 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.732 20.241 -3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.417 20.944 -2.831 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.995 21.335 -4.486 1.00 0.00 H new ATOM 327 N THR A 22 -5.827 18.740 -4.583 1.00 0.00 N ATOM 328 CA THR A 22 -4.565 18.569 -5.338 1.00 0.00 C ATOM 329 C THR A 22 -4.139 17.090 -5.334 1.00 0.00 C ATOM 330 O THR A 22 -3.343 16.661 -6.168 1.00 0.00 O ATOM 331 CB THR A 22 -3.402 19.455 -4.759 1.00 0.00 C ATOM 332 OG1 THR A 22 -3.106 19.094 -3.394 1.00 0.00 O ATOM 333 CG2 THR A 22 -3.743 20.958 -4.820 1.00 0.00 C ATOM 0 H THR A 22 -5.692 19.023 -3.612 1.00 0.00 H new ATOM 0 HA THR A 22 -4.755 18.896 -6.360 1.00 0.00 H new ATOM 0 HB THR A 22 -2.527 19.269 -5.382 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.871 18.619 -3.008 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.914 21.536 -4.411 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.913 21.251 -5.856 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.643 21.151 -4.236 1.00 0.00 H new ATOM 341 N ILE A 23 -4.676 16.327 -4.361 1.00 0.00 N ATOM 342 CA ILE A 23 -4.412 14.894 -4.219 1.00 0.00 C ATOM 343 C ILE A 23 -5.260 14.123 -5.258 1.00 0.00 C ATOM 344 O ILE A 23 -6.435 13.841 -5.032 1.00 0.00 O ATOM 345 CB ILE A 23 -4.731 14.427 -2.742 1.00 0.00 C ATOM 346 CG1 ILE A 23 -3.831 15.184 -1.720 1.00 0.00 C ATOM 347 CG2 ILE A 23 -4.590 12.904 -2.568 1.00 0.00 C ATOM 348 CD1 ILE A 23 -4.110 14.866 -0.258 1.00 0.00 C ATOM 0 H ILE A 23 -5.308 16.697 -3.651 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.359 14.684 -4.406 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.774 14.676 -2.545 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.788 14.950 -1.934 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.956 16.256 -1.873 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.819 12.633 -1.537 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.282 12.395 -3.240 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.569 12.604 -2.804 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.434 15.441 0.375 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.141 15.127 -0.019 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.955 13.802 -0.081 1.00 0.00 H new ATOM 360 N THR A 24 -4.668 13.850 -6.431 1.00 0.00 N ATOM 361 CA THR A 24 -5.330 13.116 -7.530 1.00 0.00 C ATOM 362 C THR A 24 -4.502 11.860 -7.879 1.00 0.00 C ATOM 363 O THR A 24 -3.332 11.787 -7.495 1.00 0.00 O ATOM 364 CB THR A 24 -5.502 14.041 -8.795 1.00 0.00 C ATOM 365 OG1 THR A 24 -4.228 14.547 -9.243 1.00 0.00 O ATOM 366 CG2 THR A 24 -6.456 15.220 -8.511 1.00 0.00 C ATOM 0 H THR A 24 -3.712 14.132 -6.649 1.00 0.00 H new ATOM 0 HA THR A 24 -6.325 12.809 -7.206 1.00 0.00 H new ATOM 0 HB THR A 24 -5.938 13.426 -9.582 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.568 14.454 -8.524 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.550 15.836 -9.406 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.437 14.835 -8.231 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.056 15.823 -7.696 1.00 0.00 H new ATOM 374 N PRO A 25 -5.093 10.835 -8.576 1.00 0.00 N ATOM 375 CA PRO A 25 -4.349 9.619 -9.011 1.00 0.00 C ATOM 376 C PRO A 25 -3.032 9.915 -9.777 1.00 0.00 C ATOM 377 O PRO A 25 -2.084 9.135 -9.689 1.00 0.00 O ATOM 378 CB PRO A 25 -5.370 8.884 -9.912 1.00 0.00 C ATOM 379 CG PRO A 25 -6.699 9.287 -9.352 1.00 0.00 C ATOM 380 CD PRO A 25 -6.540 10.733 -8.937 1.00 0.00 C ATOM 0 HA PRO A 25 -4.010 9.038 -8.154 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.269 9.182 -10.956 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.231 7.804 -9.874 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.488 9.176 -10.096 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -6.973 8.662 -8.502 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.801 11.414 -9.747 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.183 10.981 -8.093 1.00 0.00 H new ATOM 388 N GLU A 26 -2.970 11.068 -10.480 1.00 0.00 N ATOM 389 CA GLU A 26 -1.817 11.448 -11.333 1.00 0.00 C ATOM 390 C GLU A 26 -0.753 12.248 -10.547 1.00 0.00 C ATOM 391 O GLU A 26 0.305 12.581 -11.099 1.00 0.00 O ATOM 392 CB GLU A 26 -2.319 12.293 -12.539 1.00 0.00 C ATOM 393 CG GLU A 26 -3.457 11.652 -13.357 1.00 0.00 C ATOM 394 CD GLU A 26 -3.100 10.273 -13.923 1.00 0.00 C ATOM 395 OE1 GLU A 26 -2.365 10.201 -14.933 1.00 0.00 O ATOM 396 OE2 GLU A 26 -3.554 9.251 -13.372 1.00 0.00 O ATOM 0 H GLU A 26 -3.717 11.763 -10.473 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.347 10.530 -11.685 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.659 13.260 -12.169 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.477 12.484 -13.204 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.340 11.559 -12.725 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.722 12.316 -14.180 1.00 0.00 H new ATOM 403 N SER A 27 -1.024 12.523 -9.260 1.00 0.00 N ATOM 404 CA SER A 27 -0.154 13.360 -8.426 1.00 0.00 C ATOM 405 C SER A 27 1.030 12.533 -7.925 1.00 0.00 C ATOM 406 O SER A 27 0.852 11.424 -7.424 1.00 0.00 O ATOM 407 CB SER A 27 -0.934 13.955 -7.234 1.00 0.00 C ATOM 408 OG SER A 27 -1.953 14.823 -7.678 1.00 0.00 O ATOM 0 H SER A 27 -1.849 12.172 -8.773 1.00 0.00 H new ATOM 0 HA SER A 27 0.215 14.188 -9.032 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.370 13.150 -6.642 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.249 14.496 -6.581 1.00 0.00 H new ATOM 0 HG SER A 27 -2.237 15.399 -6.938 1.00 0.00 H new ATOM 414 N HIS A 28 2.226 13.076 -8.100 1.00 0.00 N ATOM 415 CA HIS A 28 3.451 12.499 -7.570 1.00 0.00 C ATOM 416 C HIS A 28 3.660 13.060 -6.152 1.00 0.00 C ATOM 417 O HIS A 28 3.781 14.271 -6.000 1.00 0.00 O ATOM 418 CB HIS A 28 4.615 12.887 -8.499 1.00 0.00 C ATOM 419 CG HIS A 28 5.861 12.077 -8.300 1.00 0.00 C ATOM 420 ND1 HIS A 28 6.726 12.311 -7.256 1.00 0.00 N ATOM 421 CD2 HIS A 28 6.353 11.074 -9.053 1.00 0.00 C ATOM 422 CE1 HIS A 28 7.709 11.455 -7.412 1.00 0.00 C ATOM 423 NE2 HIS A 28 7.530 10.684 -8.494 1.00 0.00 N ATOM 0 H HIS A 28 2.374 13.941 -8.621 1.00 0.00 H new ATOM 0 HA HIS A 28 3.398 11.411 -7.520 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.289 12.782 -9.534 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.852 13.940 -8.345 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.897 10.656 -9.938 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.559 11.381 -6.749 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.153 9.950 -8.831 1.00 0.00 H new ATOM 431 N ALA A 29 3.674 12.194 -5.128 1.00 0.00 N ATOM 432 CA ALA A 29 3.851 12.588 -3.718 1.00 0.00 C ATOM 433 C ALA A 29 5.059 13.530 -3.500 1.00 0.00 C ATOM 434 O ALA A 29 4.959 14.507 -2.762 1.00 0.00 O ATOM 435 CB ALA A 29 3.990 11.330 -2.846 1.00 0.00 C ATOM 0 H ALA A 29 3.562 11.188 -5.255 1.00 0.00 H new ATOM 0 HA ALA A 29 2.965 13.151 -3.425 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.121 11.622 -1.804 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.092 10.720 -2.942 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.856 10.755 -3.173 1.00 0.00 H new ATOM 441 N ILE A 30 6.167 13.286 -4.225 1.00 0.00 N ATOM 442 CA ILE A 30 7.437 14.003 -3.991 1.00 0.00 C ATOM 443 C ILE A 30 7.539 15.245 -4.909 1.00 0.00 C ATOM 444 O ILE A 30 7.856 16.345 -4.444 1.00 0.00 O ATOM 445 CB ILE A 30 8.675 13.041 -4.182 1.00 0.00 C ATOM 446 CG1 ILE A 30 8.565 11.819 -3.209 1.00 0.00 C ATOM 447 CG2 ILE A 30 10.019 13.789 -4.001 1.00 0.00 C ATOM 448 CD1 ILE A 30 9.782 10.908 -3.181 1.00 0.00 C ATOM 0 H ILE A 30 6.209 12.599 -4.977 1.00 0.00 H new ATOM 0 HA ILE A 30 7.449 14.349 -2.957 1.00 0.00 H new ATOM 0 HB ILE A 30 8.659 12.669 -5.207 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.386 12.192 -2.201 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.694 11.228 -3.490 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.845 13.092 -4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.092 14.590 -4.737 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.067 14.213 -2.998 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.610 10.092 -2.479 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.953 10.499 -4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.656 11.478 -2.867 1.00 0.00 H new ATOM 460 N ASP A 31 7.207 15.053 -6.197 1.00 0.00 N ATOM 461 CA ASP A 31 7.357 16.091 -7.246 1.00 0.00 C ATOM 462 C ASP A 31 6.168 17.077 -7.227 1.00 0.00 C ATOM 463 O ASP A 31 6.361 18.298 -7.171 1.00 0.00 O ATOM 464 CB ASP A 31 7.492 15.413 -8.641 1.00 0.00 C ATOM 465 CG ASP A 31 7.537 16.410 -9.818 1.00 0.00 C ATOM 466 OD1 ASP A 31 8.596 17.028 -10.049 1.00 0.00 O ATOM 467 OD2 ASP A 31 6.513 16.578 -10.517 1.00 0.00 O ATOM 0 H ASP A 31 6.826 14.174 -6.547 1.00 0.00 H new ATOM 0 HA ASP A 31 8.261 16.664 -7.042 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.399 14.809 -8.654 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.653 14.732 -8.786 1.00 0.00 H new ATOM 472 N ASP A 32 4.945 16.528 -7.253 1.00 0.00 N ATOM 473 CA ASP A 32 3.695 17.317 -7.378 1.00 0.00 C ATOM 474 C ASP A 32 3.259 17.871 -6.001 1.00 0.00 C ATOM 475 O ASP A 32 3.201 19.082 -5.810 1.00 0.00 O ATOM 476 CB ASP A 32 2.588 16.426 -8.003 1.00 0.00 C ATOM 477 CG ASP A 32 1.249 17.148 -8.244 1.00 0.00 C ATOM 478 OD1 ASP A 32 1.087 17.778 -9.311 1.00 0.00 O ATOM 479 OD2 ASP A 32 0.351 17.082 -7.372 1.00 0.00 O ATOM 0 H ASP A 32 4.787 15.522 -7.188 1.00 0.00 H new ATOM 0 HA ASP A 32 3.869 18.172 -8.032 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.950 16.031 -8.952 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.413 15.572 -7.348 1.00 0.00 H new ATOM 484 N LEU A 33 2.981 16.961 -5.045 1.00 0.00 N ATOM 485 CA LEU A 33 2.463 17.323 -3.700 1.00 0.00 C ATOM 486 C LEU A 33 3.546 17.994 -2.824 1.00 0.00 C ATOM 487 O LEU A 33 3.219 18.683 -1.851 1.00 0.00 O ATOM 488 CB LEU A 33 1.896 16.063 -2.986 1.00 0.00 C ATOM 489 CG LEU A 33 0.731 15.310 -3.704 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.272 14.092 -2.869 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.449 16.261 -4.031 1.00 0.00 C ATOM 0 H LEU A 33 3.107 15.958 -5.178 1.00 0.00 H new ATOM 0 HA LEU A 33 1.662 18.048 -3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.715 15.359 -2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.549 16.361 -1.997 1.00 0.00 H new ATOM 0 HG LEU A 33 1.108 14.938 -4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.540 13.581 -3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.108 13.405 -2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.076 14.430 -1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.240 15.701 -4.530 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.836 16.691 -3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.102 17.060 -4.686 1.00 0.00 H new ATOM 503 N GLY A 34 4.828 17.798 -3.196 1.00 0.00 N ATOM 504 CA GLY A 34 5.953 18.371 -2.452 1.00 0.00 C ATOM 505 C GLY A 34 6.140 17.756 -1.068 1.00 0.00 C ATOM 506 O GLY A 34 6.141 18.461 -0.049 1.00 0.00 O ATOM 0 H GLY A 34 5.103 17.246 -4.008 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.868 18.234 -3.029 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.800 19.445 -2.347 1.00 0.00 H new ATOM 510 N ILE A 35 6.288 16.422 -1.050 1.00 0.00 N ATOM 511 CA ILE A 35 6.472 15.621 0.176 1.00 0.00 C ATOM 512 C ILE A 35 7.756 14.789 0.036 1.00 0.00 C ATOM 513 O ILE A 35 7.855 13.962 -0.871 1.00 0.00 O ATOM 514 CB ILE A 35 5.249 14.648 0.397 1.00 0.00 C ATOM 515 CG1 ILE A 35 3.906 15.438 0.461 1.00 0.00 C ATOM 516 CG2 ILE A 35 5.438 13.763 1.651 1.00 0.00 C ATOM 517 CD1 ILE A 35 2.664 14.563 0.467 1.00 0.00 C ATOM 0 H ILE A 35 6.283 15.858 -1.900 1.00 0.00 H new ATOM 0 HA ILE A 35 6.542 16.294 1.031 1.00 0.00 H new ATOM 0 HB ILE A 35 5.206 13.982 -0.464 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.905 16.056 1.359 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.855 16.114 -0.392 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.575 13.108 1.767 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.339 13.160 1.538 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.534 14.397 2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.775 15.193 0.513 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.637 13.963 -0.443 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.687 13.904 1.335 1.00 0.00 H new ATOM 529 N ASP A 36 8.731 14.992 0.928 1.00 0.00 N ATOM 530 CA ASP A 36 9.982 14.197 0.933 1.00 0.00 C ATOM 531 C ASP A 36 9.897 13.083 1.981 1.00 0.00 C ATOM 532 O ASP A 36 8.926 13.004 2.732 1.00 0.00 O ATOM 533 CB ASP A 36 11.233 15.092 1.170 1.00 0.00 C ATOM 534 CG ASP A 36 11.562 15.963 -0.054 1.00 0.00 C ATOM 535 OD1 ASP A 36 12.187 15.457 -1.015 1.00 0.00 O ATOM 536 OD2 ASP A 36 11.185 17.150 -0.073 1.00 0.00 O ATOM 0 H ASP A 36 8.686 15.700 1.661 1.00 0.00 H new ATOM 0 HA ASP A 36 10.095 13.743 -0.051 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.061 15.733 2.035 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.090 14.461 1.406 1.00 0.00 H new ATOM 541 N SER A 37 10.942 12.242 2.011 1.00 0.00 N ATOM 542 CA SER A 37 11.063 11.060 2.890 1.00 0.00 C ATOM 543 C SER A 37 10.728 11.370 4.372 1.00 0.00 C ATOM 544 O SER A 37 10.080 10.562 5.028 1.00 0.00 O ATOM 545 CB SER A 37 12.497 10.509 2.771 1.00 0.00 C ATOM 546 OG SER A 37 13.449 11.577 2.912 1.00 0.00 O ATOM 0 H SER A 37 11.754 12.366 1.406 1.00 0.00 H new ATOM 0 HA SER A 37 10.333 10.319 2.563 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.670 9.754 3.538 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.628 10.019 1.806 1.00 0.00 H new ATOM 551 N LEU A 38 11.151 12.563 4.852 1.00 0.00 N ATOM 552 CA LEU A 38 10.895 13.046 6.237 1.00 0.00 C ATOM 553 C LEU A 38 9.408 12.890 6.614 1.00 0.00 C ATOM 554 O LEU A 38 9.061 12.346 7.667 1.00 0.00 O ATOM 555 CB LEU A 38 11.301 14.544 6.355 1.00 0.00 C ATOM 556 CG LEU A 38 12.791 14.888 6.057 1.00 0.00 C ATOM 557 CD1 LEU A 38 13.039 16.409 6.154 1.00 0.00 C ATOM 558 CD2 LEU A 38 13.739 14.090 6.979 1.00 0.00 C ATOM 0 H LEU A 38 11.684 13.225 4.288 1.00 0.00 H new ATOM 0 HA LEU A 38 11.492 12.443 6.922 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.675 15.121 5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.069 14.881 7.365 1.00 0.00 H new ATOM 0 HG LEU A 38 13.010 14.590 5.032 1.00 0.00 H new ATOM 0 HD11 LEU A 38 14.087 16.621 5.941 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.410 16.927 5.430 1.00 0.00 H new ATOM 0 HD13 LEU A 38 12.796 16.754 7.159 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.773 14.349 6.750 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.526 14.335 8.020 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.589 13.022 6.819 1.00 0.00 H new ATOM 570 N ASP A 39 8.555 13.362 5.696 1.00 0.00 N ATOM 571 CA ASP A 39 7.092 13.360 5.837 1.00 0.00 C ATOM 572 C ASP A 39 6.480 12.050 5.323 1.00 0.00 C ATOM 573 O ASP A 39 5.469 11.590 5.848 1.00 0.00 O ATOM 574 CB ASP A 39 6.508 14.553 5.046 1.00 0.00 C ATOM 575 CG ASP A 39 7.110 15.900 5.474 1.00 0.00 C ATOM 576 OD1 ASP A 39 8.241 16.223 5.040 1.00 0.00 O ATOM 577 OD2 ASP A 39 6.460 16.645 6.236 1.00 0.00 O ATOM 0 H ASP A 39 8.870 13.766 4.814 1.00 0.00 H new ATOM 0 HA ASP A 39 6.846 13.451 6.895 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.688 14.401 3.982 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.427 14.582 5.185 1.00 0.00 H new ATOM 582 N PHE A 40 7.114 11.454 4.292 1.00 0.00 N ATOM 583 CA PHE A 40 6.530 10.333 3.533 1.00 0.00 C ATOM 584 C PHE A 40 6.621 9.015 4.331 1.00 0.00 C ATOM 585 O PHE A 40 5.813 8.109 4.121 1.00 0.00 O ATOM 586 CB PHE A 40 7.214 10.188 2.145 1.00 0.00 C ATOM 587 CG PHE A 40 6.464 9.266 1.179 1.00 0.00 C ATOM 588 CD1 PHE A 40 5.251 9.666 0.622 1.00 0.00 C ATOM 589 CD2 PHE A 40 6.958 8.002 0.842 1.00 0.00 C ATOM 590 CE1 PHE A 40 4.562 8.839 -0.239 1.00 0.00 C ATOM 591 CE2 PHE A 40 6.262 7.178 -0.023 1.00 0.00 C ATOM 592 CZ PHE A 40 5.067 7.598 -0.560 1.00 0.00 C ATOM 0 H PHE A 40 8.039 11.735 3.965 1.00 0.00 H new ATOM 0 HA PHE A 40 5.475 10.553 3.370 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.307 11.175 1.692 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.225 9.805 2.287 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.846 10.636 0.868 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.894 7.665 1.262 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.624 9.165 -0.663 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.656 6.205 -0.277 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.523 6.953 -1.235 1.00 0.00 H new ATOM 602 N LEU A 41 7.614 8.916 5.244 1.00 0.00 N ATOM 603 CA LEU A 41 7.732 7.779 6.181 1.00 0.00 C ATOM 604 C LEU A 41 6.567 7.812 7.186 1.00 0.00 C ATOM 605 O LEU A 41 5.990 6.777 7.502 1.00 0.00 O ATOM 606 CB LEU A 41 9.098 7.810 6.925 1.00 0.00 C ATOM 607 CG LEU A 41 10.370 7.635 6.036 1.00 0.00 C ATOM 608 CD1 LEU A 41 11.664 7.732 6.876 1.00 0.00 C ATOM 609 CD2 LEU A 41 10.301 6.326 5.220 1.00 0.00 C ATOM 0 H LEU A 41 8.349 9.615 5.351 1.00 0.00 H new ATOM 0 HA LEU A 41 7.685 6.851 5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.178 8.759 7.455 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.096 7.023 7.679 1.00 0.00 H new ATOM 0 HG LEU A 41 10.397 8.458 5.322 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.530 7.606 6.226 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.712 8.708 7.359 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.664 6.951 7.636 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.199 6.230 4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.231 5.477 5.900 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.424 6.346 4.573 1.00 0.00 H new ATOM 621 N ASP A 42 6.212 9.032 7.643 1.00 0.00 N ATOM 622 CA ASP A 42 5.080 9.260 8.572 1.00 0.00 C ATOM 623 C ASP A 42 3.761 8.840 7.885 1.00 0.00 C ATOM 624 O ASP A 42 2.926 8.150 8.486 1.00 0.00 O ATOM 625 CB ASP A 42 5.026 10.759 8.992 1.00 0.00 C ATOM 626 CG ASP A 42 4.153 11.046 10.240 1.00 0.00 C ATOM 627 OD1 ASP A 42 2.920 10.884 10.189 1.00 0.00 O ATOM 628 OD2 ASP A 42 4.706 11.450 11.288 1.00 0.00 O ATOM 0 H ASP A 42 6.701 9.888 7.379 1.00 0.00 H new ATOM 0 HA ASP A 42 5.219 8.659 9.470 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.041 11.105 9.187 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.645 11.344 8.155 1.00 0.00 H new ATOM 633 N ILE A 43 3.617 9.248 6.605 1.00 0.00 N ATOM 634 CA ILE A 43 2.484 8.853 5.746 1.00 0.00 C ATOM 635 C ILE A 43 2.424 7.324 5.612 1.00 0.00 C ATOM 636 O ILE A 43 1.363 6.725 5.772 1.00 0.00 O ATOM 637 CB ILE A 43 2.581 9.501 4.308 1.00 0.00 C ATOM 638 CG1 ILE A 43 2.546 11.058 4.396 1.00 0.00 C ATOM 639 CG2 ILE A 43 1.471 8.977 3.359 1.00 0.00 C ATOM 640 CD1 ILE A 43 2.635 11.777 3.061 1.00 0.00 C ATOM 0 H ILE A 43 4.286 9.862 6.140 1.00 0.00 H new ATOM 0 HA ILE A 43 1.575 9.219 6.224 1.00 0.00 H new ATOM 0 HB ILE A 43 3.539 9.201 3.883 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.624 11.358 4.893 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.371 11.390 5.027 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.575 9.448 2.382 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.564 7.896 3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.493 9.218 3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.603 12.854 3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.570 11.513 2.567 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.796 11.481 2.432 1.00 0.00 H new ATOM 652 N ALA A 44 3.596 6.703 5.386 1.00 0.00 N ATOM 653 CA ALA A 44 3.706 5.263 5.107 1.00 0.00 C ATOM 654 C ALA A 44 3.429 4.420 6.365 1.00 0.00 C ATOM 655 O ALA A 44 2.993 3.284 6.254 1.00 0.00 O ATOM 656 CB ALA A 44 5.099 4.939 4.550 1.00 0.00 C ATOM 0 H ALA A 44 4.493 7.188 5.392 1.00 0.00 H new ATOM 0 HA ALA A 44 2.951 5.008 4.363 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.170 3.870 4.347 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.260 5.495 3.627 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.857 5.221 5.280 1.00 0.00 H new ATOM 662 N PHE A 45 3.726 4.999 7.548 1.00 0.00 N ATOM 663 CA PHE A 45 3.428 4.393 8.866 1.00 0.00 C ATOM 664 C PHE A 45 1.920 4.447 9.153 1.00 0.00 C ATOM 665 O PHE A 45 1.355 3.505 9.714 1.00 0.00 O ATOM 666 CB PHE A 45 4.227 5.100 10.010 1.00 0.00 C ATOM 667 CG PHE A 45 5.565 4.440 10.344 1.00 0.00 C ATOM 668 CD1 PHE A 45 5.602 3.291 11.136 1.00 0.00 C ATOM 669 CD2 PHE A 45 6.776 4.960 9.883 1.00 0.00 C ATOM 670 CE1 PHE A 45 6.804 2.690 11.456 1.00 0.00 C ATOM 671 CE2 PHE A 45 7.976 4.356 10.202 1.00 0.00 C ATOM 672 CZ PHE A 45 7.990 3.224 10.988 1.00 0.00 C ATOM 0 H PHE A 45 4.183 5.908 7.617 1.00 0.00 H new ATOM 0 HA PHE A 45 3.742 3.350 8.833 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.408 6.136 9.724 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.611 5.120 10.909 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.679 2.867 11.503 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.774 5.848 9.268 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.817 1.803 12.072 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.904 4.771 9.836 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.929 2.753 11.239 1.00 0.00 H new ATOM 682 N ALA A 46 1.286 5.557 8.753 1.00 0.00 N ATOM 683 CA ALA A 46 -0.162 5.751 8.921 1.00 0.00 C ATOM 684 C ALA A 46 -0.941 4.776 8.007 1.00 0.00 C ATOM 685 O ALA A 46 -1.973 4.232 8.405 1.00 0.00 O ATOM 686 CB ALA A 46 -0.530 7.214 8.636 1.00 0.00 C ATOM 0 H ALA A 46 1.759 6.343 8.306 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.441 5.530 9.951 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.604 7.350 8.762 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.002 7.865 9.330 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.250 7.467 7.613 1.00 0.00 H new ATOM 692 N ILE A 47 -0.405 4.557 6.788 1.00 0.00 N ATOM 693 CA ILE A 47 -0.930 3.572 5.817 1.00 0.00 C ATOM 694 C ILE A 47 -0.704 2.129 6.327 1.00 0.00 C ATOM 695 O ILE A 47 -1.599 1.282 6.256 1.00 0.00 O ATOM 696 CB ILE A 47 -0.221 3.759 4.417 1.00 0.00 C ATOM 697 CG1 ILE A 47 -0.559 5.153 3.791 1.00 0.00 C ATOM 698 CG2 ILE A 47 -0.567 2.612 3.442 1.00 0.00 C ATOM 699 CD1 ILE A 47 0.215 5.493 2.525 1.00 0.00 C ATOM 0 H ILE A 47 0.412 5.063 6.446 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.001 3.740 5.704 1.00 0.00 H new ATOM 0 HB ILE A 47 0.854 3.723 4.593 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.625 5.185 3.567 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.366 5.925 4.535 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.060 2.777 2.491 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.241 1.663 3.867 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.644 2.585 3.279 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.088 6.477 2.167 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.283 5.499 2.742 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.005 4.747 1.759 1.00 0.00 H new ATOM 711 N ASP A 48 0.512 1.904 6.847 1.00 0.00 N ATOM 712 CA ASP A 48 1.001 0.598 7.349 1.00 0.00 C ATOM 713 C ASP A 48 -0.005 -0.009 8.350 1.00 0.00 C ATOM 714 O ASP A 48 -0.497 -1.130 8.177 1.00 0.00 O ATOM 715 CB ASP A 48 2.385 0.832 8.028 1.00 0.00 C ATOM 716 CG ASP A 48 3.178 -0.429 8.368 1.00 0.00 C ATOM 717 OD1 ASP A 48 2.943 -1.026 9.437 1.00 0.00 O ATOM 718 OD2 ASP A 48 4.080 -0.797 7.581 1.00 0.00 O ATOM 0 H ASP A 48 1.208 2.644 6.935 1.00 0.00 H new ATOM 0 HA ASP A 48 1.105 -0.108 6.525 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.992 1.454 7.370 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.228 1.399 8.946 1.00 0.00 H new ATOM 723 N LYS A 49 -0.342 0.811 9.354 1.00 0.00 N ATOM 724 CA LYS A 49 -1.218 0.436 10.472 1.00 0.00 C ATOM 725 C LYS A 49 -2.697 0.387 10.042 1.00 0.00 C ATOM 726 O LYS A 49 -3.434 -0.515 10.464 1.00 0.00 O ATOM 727 CB LYS A 49 -1.010 1.431 11.637 1.00 0.00 C ATOM 728 CG LYS A 49 0.458 1.533 12.098 1.00 0.00 C ATOM 729 CD LYS A 49 0.678 2.588 13.202 1.00 0.00 C ATOM 730 CE LYS A 49 2.158 2.741 13.578 1.00 0.00 C ATOM 731 NZ LYS A 49 2.341 3.730 14.670 1.00 0.00 N ATOM 0 H LYS A 49 -0.007 1.773 9.413 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.953 -0.568 10.804 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.356 2.418 11.329 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.628 1.126 12.481 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.785 0.560 12.464 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.085 1.778 11.241 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.290 3.549 12.865 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.108 2.307 14.088 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.557 1.776 13.889 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.727 3.054 12.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.352 3.810 14.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.982 4.656 14.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.818 3.418 15.513 1.00 0.00 H new ATOM 745 N ALA A 50 -3.117 1.362 9.207 1.00 0.00 N ATOM 746 CA ALA A 50 -4.506 1.461 8.695 1.00 0.00 C ATOM 747 C ALA A 50 -4.940 0.188 7.947 1.00 0.00 C ATOM 748 O ALA A 50 -5.988 -0.398 8.246 1.00 0.00 O ATOM 749 CB ALA A 50 -4.649 2.694 7.783 1.00 0.00 C ATOM 0 H ALA A 50 -2.505 2.104 8.867 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.165 1.571 9.556 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.672 2.756 7.413 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.412 3.595 8.349 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.964 2.605 6.940 1.00 0.00 H new ATOM 755 N PHE A 51 -4.121 -0.225 6.974 1.00 0.00 N ATOM 756 CA PHE A 51 -4.373 -1.430 6.161 1.00 0.00 C ATOM 757 C PHE A 51 -3.846 -2.717 6.848 1.00 0.00 C ATOM 758 O PHE A 51 -3.964 -3.810 6.281 1.00 0.00 O ATOM 759 CB PHE A 51 -3.728 -1.260 4.762 1.00 0.00 C ATOM 760 CG PHE A 51 -4.325 -0.145 3.900 1.00 0.00 C ATOM 761 CD1 PHE A 51 -3.902 1.178 4.035 1.00 0.00 C ATOM 762 CD2 PHE A 51 -5.298 -0.426 2.941 1.00 0.00 C ATOM 763 CE1 PHE A 51 -4.432 2.178 3.248 1.00 0.00 C ATOM 764 CE2 PHE A 51 -5.825 0.574 2.152 1.00 0.00 C ATOM 765 CZ PHE A 51 -5.391 1.874 2.304 1.00 0.00 C ATOM 0 H PHE A 51 -3.262 0.265 6.724 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.452 -1.543 6.055 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.663 -1.066 4.892 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.817 -2.202 4.222 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.147 1.422 4.768 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.643 -1.441 2.815 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.097 3.197 3.370 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.578 0.339 1.414 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.803 2.656 1.683 1.00 0.00 H new ATOM 775 N GLY A 52 -3.242 -2.574 8.054 1.00 0.00 N ATOM 776 CA GLY A 52 -2.770 -3.719 8.855 1.00 0.00 C ATOM 777 C GLY A 52 -1.654 -4.528 8.196 1.00 0.00 C ATOM 778 O GLY A 52 -1.411 -5.680 8.570 1.00 0.00 O ATOM 0 H GLY A 52 -3.072 -1.668 8.491 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.417 -3.353 9.819 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.613 -4.380 9.055 1.00 0.00 H new ATOM 782 N ILE A 53 -0.968 -3.901 7.228 1.00 0.00 N ATOM 783 CA ILE A 53 0.094 -4.530 6.419 1.00 0.00 C ATOM 784 C ILE A 53 1.459 -3.948 6.799 1.00 0.00 C ATOM 785 O ILE A 53 1.574 -3.235 7.798 1.00 0.00 O ATOM 786 CB ILE A 53 -0.208 -4.373 4.857 1.00 0.00 C ATOM 787 CG1 ILE A 53 -0.652 -2.914 4.461 1.00 0.00 C ATOM 788 CG2 ILE A 53 -1.265 -5.405 4.406 1.00 0.00 C ATOM 789 CD1 ILE A 53 0.449 -1.880 4.331 1.00 0.00 C ATOM 0 H ILE A 53 -1.137 -2.926 6.979 1.00 0.00 H new ATOM 0 HA ILE A 53 0.115 -5.599 6.633 1.00 0.00 H new ATOM 0 HB ILE A 53 0.729 -4.565 4.334 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.184 -2.966 3.511 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.364 -2.561 5.206 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.459 -5.285 3.340 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.894 -6.412 4.596 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.188 -5.247 4.963 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.015 -0.919 4.055 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.971 -1.783 5.283 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.154 -2.194 3.561 1.00 0.00 H new ATOM 801 N LYS A 54 2.490 -4.281 6.014 1.00 0.00 N ATOM 802 CA LYS A 54 3.817 -3.680 6.149 1.00 0.00 C ATOM 803 C LYS A 54 4.307 -3.286 4.747 1.00 0.00 C ATOM 804 O LYS A 54 4.447 -4.148 3.874 1.00 0.00 O ATOM 805 CB LYS A 54 4.809 -4.655 6.877 1.00 0.00 C ATOM 806 CG LYS A 54 5.880 -3.953 7.759 1.00 0.00 C ATOM 807 CD LYS A 54 6.858 -3.050 6.965 1.00 0.00 C ATOM 808 CE LYS A 54 7.650 -2.083 7.861 1.00 0.00 C ATOM 809 NZ LYS A 54 6.742 -1.141 8.574 1.00 0.00 N ATOM 0 H LYS A 54 2.426 -4.974 5.269 1.00 0.00 H new ATOM 0 HA LYS A 54 3.767 -2.787 6.772 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.233 -5.337 7.503 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.316 -5.262 6.127 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.376 -3.349 8.513 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.453 -4.713 8.290 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.557 -3.679 6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.296 -2.476 6.229 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.232 -2.650 8.587 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.359 -1.520 7.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.145 -0.183 8.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.811 -1.139 8.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.636 -1.443 9.563 1.00 0.00 H new ATOM 823 N LEU A 55 4.519 -1.976 4.520 1.00 0.00 N ATOM 824 CA LEU A 55 5.136 -1.471 3.286 1.00 0.00 C ATOM 825 C LEU A 55 6.667 -1.659 3.360 1.00 0.00 C ATOM 826 O LEU A 55 7.279 -1.196 4.327 1.00 0.00 O ATOM 827 CB LEU A 55 4.826 0.047 3.100 1.00 0.00 C ATOM 828 CG LEU A 55 3.320 0.466 3.058 1.00 0.00 C ATOM 829 CD1 LEU A 55 3.170 1.995 2.914 1.00 0.00 C ATOM 830 CD2 LEU A 55 2.563 -0.284 1.946 1.00 0.00 C ATOM 0 H LEU A 55 4.268 -1.244 5.185 1.00 0.00 H new ATOM 0 HA LEU A 55 4.727 -2.028 2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.306 0.592 3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.295 0.377 2.173 1.00 0.00 H new ATOM 0 HG LEU A 55 2.869 0.182 4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.112 2.256 2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.644 2.489 3.762 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.647 2.322 1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.519 0.029 1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.014 -0.055 0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.620 -1.357 2.127 1.00 0.00 H new ATOM 842 N PRO A 56 7.317 -2.345 2.371 1.00 0.00 N ATOM 843 CA PRO A 56 8.783 -2.268 2.182 1.00 0.00 C ATOM 844 C PRO A 56 9.178 -0.925 1.531 1.00 0.00 C ATOM 845 O PRO A 56 9.832 -0.892 0.483 1.00 0.00 O ATOM 846 CB PRO A 56 9.092 -3.490 1.279 1.00 0.00 C ATOM 847 CG PRO A 56 7.831 -3.694 0.495 1.00 0.00 C ATOM 848 CD PRO A 56 6.696 -3.299 1.421 1.00 0.00 C ATOM 0 HA PRO A 56 9.351 -2.300 3.112 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.942 -3.297 0.624 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.340 -4.371 1.871 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.829 -3.083 -0.408 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.732 -4.732 0.177 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.876 -2.837 0.871 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.284 -4.165 1.939 1.00 0.00 H new ATOM 856 N LEU A 57 8.802 0.178 2.217 1.00 0.00 N ATOM 857 CA LEU A 57 8.942 1.563 1.721 1.00 0.00 C ATOM 858 C LEU A 57 10.431 1.880 1.514 1.00 0.00 C ATOM 859 O LEU A 57 10.809 2.497 0.514 1.00 0.00 O ATOM 860 CB LEU A 57 8.292 2.568 2.748 1.00 0.00 C ATOM 861 CG LEU A 57 7.799 3.968 2.222 1.00 0.00 C ATOM 862 CD1 LEU A 57 8.935 4.867 1.692 1.00 0.00 C ATOM 863 CD2 LEU A 57 6.681 3.788 1.181 1.00 0.00 C ATOM 0 H LEU A 57 8.386 0.128 3.147 1.00 0.00 H new ATOM 0 HA LEU A 57 8.425 1.668 0.767 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.439 2.067 3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.019 2.749 3.540 1.00 0.00 H new ATOM 0 HG LEU A 57 7.394 4.499 3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.519 5.814 1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.653 5.055 2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.437 4.368 0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.352 4.765 0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.057 3.206 0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.840 3.265 1.637 1.00 0.00 H new ATOM 875 N GLU A 58 11.260 1.410 2.465 1.00 0.00 N ATOM 876 CA GLU A 58 12.722 1.603 2.436 1.00 0.00 C ATOM 877 C GLU A 58 13.319 0.948 1.184 1.00 0.00 C ATOM 878 O GLU A 58 14.126 1.564 0.491 1.00 0.00 O ATOM 879 CB GLU A 58 13.374 1.048 3.734 1.00 0.00 C ATOM 880 CG GLU A 58 12.856 1.723 5.015 1.00 0.00 C ATOM 881 CD GLU A 58 13.691 1.397 6.263 1.00 0.00 C ATOM 882 OE1 GLU A 58 14.777 1.996 6.427 1.00 0.00 O ATOM 883 OE2 GLU A 58 13.281 0.545 7.077 1.00 0.00 O ATOM 0 H GLU A 58 10.934 0.885 3.276 1.00 0.00 H new ATOM 0 HA GLU A 58 12.935 2.671 2.391 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.187 -0.024 3.796 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.454 1.180 3.674 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.845 2.803 4.868 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.825 1.414 5.187 1.00 0.00 H new ATOM 890 N LYS A 59 12.845 -0.277 0.873 1.00 0.00 N ATOM 891 CA LYS A 59 13.267 -1.023 -0.331 1.00 0.00 C ATOM 892 C LYS A 59 12.929 -0.204 -1.579 1.00 0.00 C ATOM 893 O LYS A 59 13.791 0.028 -2.423 1.00 0.00 O ATOM 894 CB LYS A 59 12.575 -2.415 -0.412 1.00 0.00 C ATOM 895 CG LYS A 59 13.051 -3.303 -1.592 1.00 0.00 C ATOM 896 CD LYS A 59 12.335 -4.676 -1.660 1.00 0.00 C ATOM 897 CE LYS A 59 10.843 -4.583 -2.049 1.00 0.00 C ATOM 898 NZ LYS A 59 10.652 -4.047 -3.422 1.00 0.00 N ATOM 0 H LYS A 59 12.163 -0.774 1.446 1.00 0.00 H new ATOM 0 HA LYS A 59 14.343 -1.188 -0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.751 -2.949 0.522 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.498 -2.267 -0.497 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.886 -2.769 -2.528 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.125 -3.466 -1.503 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.850 -5.309 -2.383 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.418 -5.167 -0.690 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.389 -5.572 -1.981 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.323 -3.944 -1.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.641 -4.066 -3.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.000 -3.068 -3.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.182 -4.632 -4.100 1.00 0.00 H new ATOM 912 N TRP A 60 11.672 0.282 -1.617 1.00 0.00 N ATOM 913 CA TRP A 60 11.117 1.060 -2.739 1.00 0.00 C ATOM 914 C TRP A 60 11.941 2.325 -3.027 1.00 0.00 C ATOM 915 O TRP A 60 12.247 2.625 -4.185 1.00 0.00 O ATOM 916 CB TRP A 60 9.645 1.452 -2.445 1.00 0.00 C ATOM 917 CG TRP A 60 8.682 0.289 -2.298 1.00 0.00 C ATOM 918 CD1 TRP A 60 8.910 -1.040 -2.567 1.00 0.00 C ATOM 919 CD2 TRP A 60 7.320 0.368 -1.853 1.00 0.00 C ATOM 920 NE1 TRP A 60 7.785 -1.774 -2.300 1.00 0.00 N ATOM 921 CE2 TRP A 60 6.799 -0.936 -1.862 1.00 0.00 C ATOM 922 CE3 TRP A 60 6.499 1.418 -1.442 1.00 0.00 C ATOM 923 CZ2 TRP A 60 5.495 -1.216 -1.477 1.00 0.00 C ATOM 924 CZ3 TRP A 60 5.201 1.142 -1.061 1.00 0.00 C ATOM 925 CH2 TRP A 60 4.714 -0.168 -1.071 1.00 0.00 C ATOM 0 H TRP A 60 11.006 0.142 -0.857 1.00 0.00 H new ATOM 0 HA TRP A 60 11.159 0.425 -3.624 1.00 0.00 H new ATOM 0 HB2 TRP A 60 9.619 2.042 -1.529 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.290 2.097 -3.249 1.00 0.00 H new ATOM 0 HD1 TRP A 60 9.841 -1.446 -2.935 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.697 -2.784 -2.410 1.00 0.00 H new ATOM 0 HE3 TRP A 60 6.873 2.431 -1.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 5.110 -2.225 -1.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 4.553 1.949 -0.751 1.00 0.00 H new ATOM 0 HH2 TRP A 60 3.700 -0.357 -0.752 1.00 0.00 H new ATOM 936 N THR A 61 12.317 3.030 -1.946 1.00 0.00 N ATOM 937 CA THR A 61 13.085 4.282 -2.018 1.00 0.00 C ATOM 938 C THR A 61 14.481 4.027 -2.616 1.00 0.00 C ATOM 939 O THR A 61 14.965 4.814 -3.439 1.00 0.00 O ATOM 940 CB THR A 61 13.228 4.931 -0.597 1.00 0.00 C ATOM 941 OG1 THR A 61 11.933 5.094 0.008 1.00 0.00 O ATOM 942 CG2 THR A 61 13.937 6.303 -0.643 1.00 0.00 C ATOM 0 H THR A 61 12.094 2.744 -0.993 1.00 0.00 H new ATOM 0 HA THR A 61 12.542 4.971 -2.665 1.00 0.00 H new ATOM 0 HB THR A 61 13.842 4.254 -0.003 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.561 4.214 0.227 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.010 6.709 0.366 1.00 0.00 H new ATOM 0 HG22 THR A 61 14.937 6.182 -1.059 1.00 0.00 H new ATOM 0 HG23 THR A 61 13.364 6.988 -1.269 1.00 0.00 H new ATOM 950 N GLN A 62 15.092 2.890 -2.239 1.00 0.00 N ATOM 951 CA GLN A 62 16.470 2.551 -2.639 1.00 0.00 C ATOM 952 C GLN A 62 16.502 2.041 -4.092 1.00 0.00 C ATOM 953 O GLN A 62 17.456 2.306 -4.814 1.00 0.00 O ATOM 954 CB GLN A 62 17.041 1.484 -1.675 1.00 0.00 C ATOM 955 CG GLN A 62 17.097 1.936 -0.207 1.00 0.00 C ATOM 956 CD GLN A 62 17.431 0.815 0.781 1.00 0.00 C ATOM 957 OE1 GLN A 62 18.151 -0.134 0.454 1.00 0.00 O ATOM 958 NE2 GLN A 62 16.858 0.883 1.975 1.00 0.00 N ATOM 0 H GLN A 62 14.648 2.184 -1.652 1.00 0.00 H new ATOM 0 HA GLN A 62 17.088 3.447 -2.583 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.432 0.583 -1.744 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.046 1.215 -2.001 1.00 0.00 H new ATOM 0 HG2 GLN A 62 17.842 2.725 -0.109 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.135 2.370 0.065 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.269 1.681 2.213 1.00 0.00 H new ATOM 0 HE22 GLN A 62 17.006 0.137 2.655 1.00 0.00 H new ATOM 967 N GLU A 63 15.437 1.318 -4.497 1.00 0.00 N ATOM 968 CA GLU A 63 15.265 0.815 -5.885 1.00 0.00 C ATOM 969 C GLU A 63 15.147 1.990 -6.868 1.00 0.00 C ATOM 970 O GLU A 63 15.756 1.983 -7.946 1.00 0.00 O ATOM 971 CB GLU A 63 14.010 -0.097 -5.979 1.00 0.00 C ATOM 972 CG GLU A 63 14.116 -1.408 -5.183 1.00 0.00 C ATOM 973 CD GLU A 63 12.788 -2.182 -5.123 1.00 0.00 C ATOM 974 OE1 GLU A 63 11.814 -1.663 -4.538 1.00 0.00 O ATOM 975 OE2 GLU A 63 12.701 -3.310 -5.649 1.00 0.00 O ATOM 0 H GLU A 63 14.670 1.064 -3.875 1.00 0.00 H new ATOM 0 HA GLU A 63 16.142 0.226 -6.152 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.143 0.460 -5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.827 -0.336 -7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.879 -2.041 -5.636 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.447 -1.185 -4.169 1.00 0.00 H new ATOM 982 N VAL A 64 14.366 3.002 -6.460 1.00 0.00 N ATOM 983 CA VAL A 64 14.260 4.283 -7.178 1.00 0.00 C ATOM 984 C VAL A 64 15.660 4.920 -7.357 1.00 0.00 C ATOM 985 O VAL A 64 16.063 5.254 -8.479 1.00 0.00 O ATOM 986 CB VAL A 64 13.289 5.263 -6.412 1.00 0.00 C ATOM 987 CG1 VAL A 64 13.424 6.720 -6.896 1.00 0.00 C ATOM 988 CG2 VAL A 64 11.819 4.787 -6.520 1.00 0.00 C ATOM 0 H VAL A 64 13.788 2.956 -5.621 1.00 0.00 H new ATOM 0 HA VAL A 64 13.844 4.096 -8.168 1.00 0.00 H new ATOM 0 HB VAL A 64 13.586 5.242 -5.363 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.735 7.354 -6.338 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.446 7.064 -6.734 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.187 6.774 -7.959 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.172 5.481 -5.983 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.524 4.753 -7.569 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.726 3.792 -6.084 1.00 0.00 H new ATOM 998 N ASN A 65 16.391 5.036 -6.238 1.00 0.00 N ATOM 999 CA ASN A 65 17.739 5.644 -6.199 1.00 0.00 C ATOM 1000 C ASN A 65 18.783 4.826 -6.995 1.00 0.00 C ATOM 1001 O ASN A 65 19.742 5.396 -7.528 1.00 0.00 O ATOM 1002 CB ASN A 65 18.191 5.831 -4.718 1.00 0.00 C ATOM 1003 CG ASN A 65 17.451 6.952 -3.947 1.00 0.00 C ATOM 1004 OD1 ASN A 65 18.011 7.560 -3.035 1.00 0.00 O ATOM 1005 ND2 ASN A 65 16.194 7.240 -4.295 1.00 0.00 N ATOM 0 H ASN A 65 16.066 4.710 -5.328 1.00 0.00 H new ATOM 0 HA ASN A 65 17.675 6.618 -6.684 1.00 0.00 H new ATOM 0 HB2 ASN A 65 18.047 4.890 -4.188 1.00 0.00 H new ATOM 0 HB3 ASN A 65 19.260 6.045 -4.704 1.00 0.00 H new ATOM 0 HD21 ASN A 65 15.684 7.973 -3.803 1.00 0.00 H new ATOM 0 HD22 ASN A 65 15.744 6.727 -5.053 1.00 0.00 H new ATOM 1012 N ASP A 66 18.585 3.497 -7.099 1.00 0.00 N ATOM 1013 CA ASP A 66 19.555 2.571 -7.745 1.00 0.00 C ATOM 1014 C ASP A 66 19.250 2.384 -9.255 1.00 0.00 C ATOM 1015 O ASP A 66 19.947 1.630 -9.954 1.00 0.00 O ATOM 1016 CB ASP A 66 19.493 1.200 -7.008 1.00 0.00 C ATOM 1017 CG ASP A 66 20.711 0.290 -7.265 1.00 0.00 C ATOM 1018 OD1 ASP A 66 21.728 0.429 -6.553 1.00 0.00 O ATOM 1019 OD2 ASP A 66 20.660 -0.565 -8.165 1.00 0.00 O ATOM 0 H ASP A 66 17.752 3.030 -6.741 1.00 0.00 H new ATOM 0 HA ASP A 66 20.555 2.997 -7.671 1.00 0.00 H new ATOM 0 HB2 ASP A 66 19.407 1.380 -5.936 1.00 0.00 H new ATOM 0 HB3 ASP A 66 18.589 0.675 -7.317 1.00 0.00 H new ATOM 1024 N GLY A 67 18.203 3.069 -9.755 1.00 0.00 N ATOM 1025 CA GLY A 67 17.780 2.942 -11.161 1.00 0.00 C ATOM 1026 C GLY A 67 17.025 1.646 -11.458 1.00 0.00 C ATOM 1027 O GLY A 67 16.743 1.338 -12.624 1.00 0.00 O ATOM 0 H GLY A 67 17.636 3.715 -9.206 1.00 0.00 H new ATOM 0 HA2 GLY A 67 17.145 3.790 -11.419 1.00 0.00 H new ATOM 0 HA3 GLY A 67 18.660 2.996 -11.803 1.00 0.00 H new ATOM 1031 N LYS A 68 16.701 0.880 -10.393 1.00 0.00 N ATOM 1032 CA LYS A 68 15.874 -0.345 -10.491 1.00 0.00 C ATOM 1033 C LYS A 68 14.407 0.031 -10.782 1.00 0.00 C ATOM 1034 O LYS A 68 13.640 -0.763 -11.337 1.00 0.00 O ATOM 1035 CB LYS A 68 15.968 -1.162 -9.166 1.00 0.00 C ATOM 1036 CG LYS A 68 17.398 -1.522 -8.668 1.00 0.00 C ATOM 1037 CD LYS A 68 18.095 -2.682 -9.425 1.00 0.00 C ATOM 1038 CE LYS A 68 18.668 -2.298 -10.802 1.00 0.00 C ATOM 1039 NZ LYS A 68 19.688 -1.207 -10.722 1.00 0.00 N ATOM 0 H LYS A 68 17.004 1.092 -9.443 1.00 0.00 H new ATOM 0 HA LYS A 68 16.248 -0.960 -11.309 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.466 -0.596 -8.381 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.410 -2.089 -9.297 1.00 0.00 H new ATOM 0 HG2 LYS A 68 18.025 -0.633 -8.743 1.00 0.00 H new ATOM 0 HG3 LYS A 68 17.341 -1.783 -7.611 1.00 0.00 H new ATOM 0 HD2 LYS A 68 18.904 -3.069 -8.805 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.379 -3.493 -9.558 1.00 0.00 H new ATOM 0 HE2 LYS A 68 19.119 -3.178 -11.261 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.854 -1.981 -11.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 20.491 -1.437 -11.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 19.261 -0.309 -11.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 20.022 -1.116 -9.741 1.00 0.00 H new ATOM 1053 N ALA A 69 14.049 1.260 -10.381 1.00 0.00 N ATOM 1054 CA ALA A 69 12.746 1.873 -10.635 1.00 0.00 C ATOM 1055 C ALA A 69 12.927 3.393 -10.829 1.00 0.00 C ATOM 1056 O ALA A 69 13.981 3.954 -10.500 1.00 0.00 O ATOM 1057 CB ALA A 69 11.793 1.589 -9.456 1.00 0.00 C ATOM 0 H ALA A 69 14.679 1.868 -9.857 1.00 0.00 H new ATOM 0 HA ALA A 69 12.311 1.448 -11.540 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.824 2.049 -9.652 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.667 0.512 -9.341 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.213 2.005 -8.540 1.00 0.00 H new ATOM 1063 N THR A 70 11.888 4.037 -11.384 1.00 0.00 N ATOM 1064 CA THR A 70 11.766 5.504 -11.417 1.00 0.00 C ATOM 1065 C THR A 70 10.963 5.945 -10.173 1.00 0.00 C ATOM 1066 O THR A 70 10.284 5.108 -9.552 1.00 0.00 O ATOM 1067 CB THR A 70 11.066 5.982 -12.744 1.00 0.00 C ATOM 1068 OG1 THR A 70 11.650 5.297 -13.866 1.00 0.00 O ATOM 1069 CG2 THR A 70 11.201 7.501 -12.977 1.00 0.00 C ATOM 0 H THR A 70 11.105 3.553 -11.824 1.00 0.00 H new ATOM 0 HA THR A 70 12.755 5.961 -11.400 1.00 0.00 H new ATOM 0 HB THR A 70 10.006 5.750 -12.644 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.214 5.592 -14.693 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.700 7.773 -13.906 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.743 8.039 -12.147 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.256 7.767 -13.043 1.00 0.00 H new ATOM 1077 N THR A 71 11.077 7.232 -9.786 1.00 0.00 N ATOM 1078 CA THR A 71 10.325 7.804 -8.648 1.00 0.00 C ATOM 1079 C THR A 71 8.817 7.479 -8.754 1.00 0.00 C ATOM 1080 O THR A 71 8.239 6.901 -7.836 1.00 0.00 O ATOM 1081 CB THR A 71 10.536 9.351 -8.548 1.00 0.00 C ATOM 1082 OG1 THR A 71 10.282 9.953 -9.829 1.00 0.00 O ATOM 1083 CG2 THR A 71 11.939 9.731 -8.051 1.00 0.00 C ATOM 0 H THR A 71 11.690 7.902 -10.251 1.00 0.00 H new ATOM 0 HA THR A 71 10.715 7.344 -7.740 1.00 0.00 H new ATOM 0 HB THR A 71 9.831 9.729 -7.808 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.412 10.922 -9.767 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.026 10.816 -8.002 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.100 9.309 -7.059 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.688 9.338 -8.739 1.00 0.00 H new ATOM 1091 N GLU A 72 8.231 7.835 -9.907 1.00 0.00 N ATOM 1092 CA GLU A 72 6.805 7.595 -10.242 1.00 0.00 C ATOM 1093 C GLU A 72 6.293 6.178 -9.885 1.00 0.00 C ATOM 1094 O GLU A 72 5.154 6.026 -9.421 1.00 0.00 O ATOM 1095 CB GLU A 72 6.569 7.866 -11.756 1.00 0.00 C ATOM 1096 CG GLU A 72 7.417 6.995 -12.705 1.00 0.00 C ATOM 1097 CD GLU A 72 7.062 7.179 -14.189 1.00 0.00 C ATOM 1098 OE1 GLU A 72 7.481 8.188 -14.783 1.00 0.00 O ATOM 1099 OE2 GLU A 72 6.368 6.311 -14.764 1.00 0.00 O ATOM 0 H GLU A 72 8.740 8.308 -10.654 1.00 0.00 H new ATOM 0 HA GLU A 72 6.233 8.288 -9.624 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.515 7.704 -11.980 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.781 8.915 -11.961 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.471 7.233 -12.560 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.287 5.947 -12.436 1.00 0.00 H new ATOM 1106 N GLN A 73 7.174 5.171 -10.075 1.00 0.00 N ATOM 1107 CA GLN A 73 6.840 3.729 -9.954 1.00 0.00 C ATOM 1108 C GLN A 73 6.252 3.405 -8.563 1.00 0.00 C ATOM 1109 O GLN A 73 5.362 2.554 -8.432 1.00 0.00 O ATOM 1110 CB GLN A 73 8.115 2.873 -10.280 1.00 0.00 C ATOM 1111 CG GLN A 73 7.847 1.448 -10.845 1.00 0.00 C ATOM 1112 CD GLN A 73 7.613 0.375 -9.787 1.00 0.00 C ATOM 1113 OE1 GLN A 73 6.498 0.172 -9.326 1.00 0.00 O ATOM 1114 NE2 GLN A 73 8.661 -0.343 -9.428 1.00 0.00 N ATOM 0 H GLN A 73 8.150 5.336 -10.320 1.00 0.00 H new ATOM 0 HA GLN A 73 6.065 3.474 -10.676 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.723 3.421 -11.000 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.708 2.777 -9.370 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.976 1.490 -11.499 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.695 1.151 -11.462 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.577 -0.147 -9.832 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.555 -1.094 -8.746 1.00 0.00 H new ATOM 1123 N TYR A 74 6.727 4.133 -7.538 1.00 0.00 N ATOM 1124 CA TYR A 74 6.275 3.957 -6.146 1.00 0.00 C ATOM 1125 C TYR A 74 5.662 5.248 -5.572 1.00 0.00 C ATOM 1126 O TYR A 74 4.951 5.190 -4.567 1.00 0.00 O ATOM 1127 CB TYR A 74 7.461 3.501 -5.257 1.00 0.00 C ATOM 1128 CG TYR A 74 8.079 2.157 -5.671 1.00 0.00 C ATOM 1129 CD1 TYR A 74 7.327 0.983 -5.627 1.00 0.00 C ATOM 1130 CD2 TYR A 74 9.408 2.055 -6.085 1.00 0.00 C ATOM 1131 CE1 TYR A 74 7.874 -0.235 -5.979 1.00 0.00 C ATOM 1132 CE2 TYR A 74 9.959 0.841 -6.434 1.00 0.00 C ATOM 1133 CZ TYR A 74 9.191 -0.301 -6.378 1.00 0.00 C ATOM 1134 OH TYR A 74 9.743 -1.515 -6.737 1.00 0.00 O ATOM 0 H TYR A 74 7.434 4.859 -7.650 1.00 0.00 H new ATOM 0 HA TYR A 74 5.499 3.192 -6.148 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.236 4.267 -5.283 1.00 0.00 H new ATOM 0 HB3 TYR A 74 7.119 3.428 -4.225 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.295 1.028 -5.311 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.017 2.946 -6.133 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.273 -1.131 -5.942 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.990 0.785 -6.751 1.00 0.00 H new ATOM 0 HH TYR A 74 10.350 -1.820 -6.031 1.00 0.00 H new ATOM 1144 N PHE A 75 5.924 6.419 -6.197 1.00 0.00 N ATOM 1145 CA PHE A 75 5.607 7.733 -5.582 1.00 0.00 C ATOM 1146 C PHE A 75 4.531 8.523 -6.370 1.00 0.00 C ATOM 1147 O PHE A 75 4.360 9.707 -6.122 1.00 0.00 O ATOM 1148 CB PHE A 75 6.900 8.584 -5.436 1.00 0.00 C ATOM 1149 CG PHE A 75 8.017 7.944 -4.589 1.00 0.00 C ATOM 1150 CD1 PHE A 75 7.749 7.396 -3.337 1.00 0.00 C ATOM 1151 CD2 PHE A 75 9.340 7.920 -5.041 1.00 0.00 C ATOM 1152 CE1 PHE A 75 8.764 6.843 -2.568 1.00 0.00 C ATOM 1153 CE2 PHE A 75 10.349 7.370 -4.274 1.00 0.00 C ATOM 1154 CZ PHE A 75 10.062 6.831 -3.037 1.00 0.00 C ATOM 0 H PHE A 75 6.351 6.483 -7.121 1.00 0.00 H new ATOM 0 HA PHE A 75 5.189 7.528 -4.596 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.294 8.790 -6.431 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.635 9.544 -4.993 1.00 0.00 H new ATOM 0 HD1 PHE A 75 6.737 7.401 -2.959 1.00 0.00 H new ATOM 0 HD2 PHE A 75 9.578 8.339 -6.008 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.537 6.421 -1.600 1.00 0.00 H new ATOM 0 HE2 PHE A 75 11.364 7.362 -4.643 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.851 6.401 -2.437 1.00 0.00 H new ATOM 1164 N VAL A 76 3.815 7.886 -7.311 1.00 0.00 N ATOM 1165 CA VAL A 76 2.563 8.464 -7.885 1.00 0.00 C ATOM 1166 C VAL A 76 1.380 7.789 -7.184 1.00 0.00 C ATOM 1167 O VAL A 76 1.385 6.590 -7.045 1.00 0.00 O ATOM 1168 CB VAL A 76 2.477 8.280 -9.450 1.00 0.00 C ATOM 1169 CG1 VAL A 76 1.075 8.626 -10.014 1.00 0.00 C ATOM 1170 CG2 VAL A 76 3.550 9.133 -10.148 1.00 0.00 C ATOM 0 H VAL A 76 4.069 6.976 -7.696 1.00 0.00 H new ATOM 0 HA VAL A 76 2.550 9.540 -7.714 1.00 0.00 H new ATOM 0 HB VAL A 76 2.657 7.225 -9.655 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.072 8.482 -11.094 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.329 7.975 -9.559 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.837 9.665 -9.786 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.479 8.996 -11.227 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.394 10.184 -9.905 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.538 8.824 -9.808 1.00 0.00 H new ATOM 1180 N LEU A 77 0.382 8.576 -6.768 1.00 0.00 N ATOM 1181 CA LEU A 77 -0.682 8.132 -5.841 1.00 0.00 C ATOM 1182 C LEU A 77 -1.471 6.900 -6.321 1.00 0.00 C ATOM 1183 O LEU A 77 -1.883 6.095 -5.493 1.00 0.00 O ATOM 1184 CB LEU A 77 -1.634 9.303 -5.532 1.00 0.00 C ATOM 1185 CG LEU A 77 -0.963 10.552 -4.887 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -2.010 11.604 -4.516 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -0.077 10.168 -3.678 1.00 0.00 C ATOM 0 H LEU A 77 0.283 9.547 -7.063 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.175 7.811 -4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.120 9.609 -6.458 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.418 8.946 -4.864 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.301 10.994 -5.631 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.516 12.466 -4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.544 11.918 -5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.716 11.179 -3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.373 11.067 -3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.688 9.678 -2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.710 9.488 -4.005 1.00 0.00 H new ATOM 1199 N LYS A 78 -1.681 6.752 -7.645 1.00 0.00 N ATOM 1200 CA LYS A 78 -2.352 5.546 -8.200 1.00 0.00 C ATOM 1201 C LYS A 78 -1.405 4.322 -8.150 1.00 0.00 C ATOM 1202 O LYS A 78 -1.850 3.199 -7.896 1.00 0.00 O ATOM 1203 CB LYS A 78 -2.850 5.797 -9.658 1.00 0.00 C ATOM 1204 CG LYS A 78 -1.727 6.087 -10.674 1.00 0.00 C ATOM 1205 CD LYS A 78 -2.242 6.419 -12.085 1.00 0.00 C ATOM 1206 CE LYS A 78 -1.099 6.738 -13.061 1.00 0.00 C ATOM 1207 NZ LYS A 78 -1.613 7.185 -14.378 1.00 0.00 N ATOM 0 H LYS A 78 -1.402 7.439 -8.346 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.223 5.334 -7.581 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.410 4.924 -9.993 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.544 6.638 -9.652 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.126 6.921 -10.310 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.068 5.221 -10.732 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.819 5.577 -12.467 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.920 7.271 -12.031 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.463 7.514 -12.636 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.476 5.853 -13.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.890 7.760 -14.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.837 6.355 -14.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.473 7.754 -14.240 1.00 0.00 H new ATOM 1221 N ASN A 79 -0.091 4.573 -8.386 1.00 0.00 N ATOM 1222 CA ASN A 79 0.963 3.528 -8.350 1.00 0.00 C ATOM 1223 C ASN A 79 1.148 3.031 -6.913 1.00 0.00 C ATOM 1224 O ASN A 79 1.094 1.837 -6.661 1.00 0.00 O ATOM 1225 CB ASN A 79 2.323 4.060 -8.897 1.00 0.00 C ATOM 1226 CG ASN A 79 2.304 4.484 -10.369 1.00 0.00 C ATOM 1227 OD1 ASN A 79 1.292 4.951 -10.891 1.00 0.00 O ATOM 1228 ND2 ASN A 79 3.434 4.325 -11.049 1.00 0.00 N ATOM 0 H ASN A 79 0.266 5.503 -8.606 1.00 0.00 H new ATOM 0 HA ASN A 79 0.641 2.708 -8.991 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.633 4.912 -8.292 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.079 3.285 -8.767 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.480 4.593 -12.032 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.256 3.935 -10.588 1.00 0.00 H new ATOM 1235 N LEU A 80 1.335 3.994 -5.988 1.00 0.00 N ATOM 1236 CA LEU A 80 1.490 3.765 -4.546 1.00 0.00 C ATOM 1237 C LEU A 80 0.278 3.011 -3.996 1.00 0.00 C ATOM 1238 O LEU A 80 0.448 2.007 -3.314 1.00 0.00 O ATOM 1239 CB LEU A 80 1.660 5.122 -3.798 1.00 0.00 C ATOM 1240 CG LEU A 80 1.853 5.038 -2.243 1.00 0.00 C ATOM 1241 CD1 LEU A 80 3.148 4.283 -1.861 1.00 0.00 C ATOM 1242 CD2 LEU A 80 1.774 6.437 -1.583 1.00 0.00 C ATOM 0 H LEU A 80 1.383 4.982 -6.237 1.00 0.00 H new ATOM 0 HA LEU A 80 2.383 3.161 -4.384 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.519 5.641 -4.222 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.784 5.737 -4.001 1.00 0.00 H new ATOM 0 HG LEU A 80 1.024 4.452 -1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.242 4.248 -0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.106 3.267 -2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.009 4.801 -2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.912 6.340 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.555 7.077 -1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.799 6.880 -1.785 1.00 0.00 H new ATOM 1254 N ALA A 81 -0.940 3.482 -4.352 1.00 0.00 N ATOM 1255 CA ALA A 81 -2.206 2.858 -3.900 1.00 0.00 C ATOM 1256 C ALA A 81 -2.298 1.411 -4.395 1.00 0.00 C ATOM 1257 O ALA A 81 -2.787 0.541 -3.679 1.00 0.00 O ATOM 1258 CB ALA A 81 -3.430 3.669 -4.371 1.00 0.00 C ATOM 0 H ALA A 81 -1.073 4.295 -4.953 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.206 2.855 -2.810 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.343 3.185 -4.023 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.376 4.678 -3.963 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.437 3.718 -5.460 1.00 0.00 H new ATOM 1264 N ALA A 82 -1.780 1.165 -5.614 1.00 0.00 N ATOM 1265 CA ALA A 82 -1.731 -0.177 -6.206 1.00 0.00 C ATOM 1266 C ALA A 82 -0.731 -1.073 -5.441 1.00 0.00 C ATOM 1267 O ALA A 82 -1.045 -2.220 -5.154 1.00 0.00 O ATOM 1268 CB ALA A 82 -1.368 -0.094 -7.700 1.00 0.00 C ATOM 0 H ALA A 82 -1.386 1.892 -6.211 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.719 -0.629 -6.122 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.336 -1.098 -8.123 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.119 0.497 -8.225 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.392 0.378 -7.812 1.00 0.00 H new ATOM 1274 N ARG A 83 0.452 -0.511 -5.088 1.00 0.00 N ATOM 1275 CA ARG A 83 1.514 -1.234 -4.340 1.00 0.00 C ATOM 1276 C ARG A 83 0.975 -1.720 -2.978 1.00 0.00 C ATOM 1277 O ARG A 83 1.125 -2.890 -2.614 1.00 0.00 O ATOM 1278 CB ARG A 83 2.762 -0.325 -4.100 1.00 0.00 C ATOM 1279 CG ARG A 83 3.469 0.258 -5.350 1.00 0.00 C ATOM 1280 CD ARG A 83 4.177 -0.786 -6.233 1.00 0.00 C ATOM 1281 NE ARG A 83 3.252 -1.608 -7.036 1.00 0.00 N ATOM 1282 CZ ARG A 83 3.240 -1.687 -8.381 1.00 0.00 C ATOM 1283 NH1 ARG A 83 4.029 -0.928 -9.128 1.00 0.00 N ATOM 1284 NH2 ARG A 83 2.431 -2.547 -8.979 1.00 0.00 N ATOM 0 H ARG A 83 0.697 0.453 -5.313 1.00 0.00 H new ATOM 0 HA ARG A 83 1.815 -2.089 -4.945 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.456 0.508 -3.467 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.495 -0.901 -3.536 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.732 0.786 -5.955 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.202 0.996 -5.025 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.868 -0.274 -6.902 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.774 -1.441 -5.598 1.00 0.00 H new ATOM 0 HE ARG A 83 2.563 -2.164 -6.530 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.665 -0.264 -8.686 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.000 -1.008 -10.144 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.821 -3.145 -8.422 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.417 -2.611 -9.997 1.00 0.00 H new ATOM 1298 N ILE A 84 0.300 -0.795 -2.275 1.00 0.00 N ATOM 1299 CA ILE A 84 -0.298 -1.036 -0.947 1.00 0.00 C ATOM 1300 C ILE A 84 -1.399 -2.102 -1.062 1.00 0.00 C ATOM 1301 O ILE A 84 -1.418 -3.076 -0.314 1.00 0.00 O ATOM 1302 CB ILE A 84 -0.913 0.301 -0.377 1.00 0.00 C ATOM 1303 CG1 ILE A 84 0.179 1.419 -0.280 1.00 0.00 C ATOM 1304 CG2 ILE A 84 -1.608 0.068 0.989 1.00 0.00 C ATOM 1305 CD1 ILE A 84 -0.368 2.829 -0.135 1.00 0.00 C ATOM 0 H ILE A 84 0.151 0.155 -2.616 1.00 0.00 H new ATOM 0 HA ILE A 84 0.479 -1.387 -0.268 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.679 0.641 -1.074 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.824 1.205 0.572 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.804 1.376 -1.172 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.020 1.009 1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.412 -0.658 0.869 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.881 -0.311 1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.460 3.536 -0.075 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.989 3.069 -0.998 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.968 2.895 0.773 1.00 0.00 H new ATOM 1317 N ASP A 85 -2.271 -1.898 -2.062 1.00 0.00 N ATOM 1318 CA ASP A 85 -3.430 -2.770 -2.352 1.00 0.00 C ATOM 1319 C ASP A 85 -2.989 -4.206 -2.684 1.00 0.00 C ATOM 1320 O ASP A 85 -3.700 -5.148 -2.371 1.00 0.00 O ATOM 1321 CB ASP A 85 -4.251 -2.166 -3.519 1.00 0.00 C ATOM 1322 CG ASP A 85 -5.540 -2.935 -3.824 1.00 0.00 C ATOM 1323 OD1 ASP A 85 -6.521 -2.786 -3.066 1.00 0.00 O ATOM 1324 OD2 ASP A 85 -5.574 -3.708 -4.808 1.00 0.00 O ATOM 0 H ASP A 85 -2.193 -1.110 -2.705 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.054 -2.823 -1.460 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.502 -1.133 -3.279 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.631 -2.143 -4.415 1.00 0.00 H new ATOM 1329 N GLU A 86 -1.809 -4.339 -3.322 1.00 0.00 N ATOM 1330 CA GLU A 86 -1.194 -5.644 -3.629 1.00 0.00 C ATOM 1331 C GLU A 86 -0.727 -6.348 -2.344 1.00 0.00 C ATOM 1332 O GLU A 86 -0.831 -7.572 -2.230 1.00 0.00 O ATOM 1333 CB GLU A 86 -0.009 -5.475 -4.612 1.00 0.00 C ATOM 1334 CG GLU A 86 -0.421 -5.087 -6.044 1.00 0.00 C ATOM 1335 CD GLU A 86 0.769 -4.796 -6.976 1.00 0.00 C ATOM 1336 OE1 GLU A 86 1.673 -4.041 -6.570 1.00 0.00 O ATOM 1337 OE2 GLU A 86 0.808 -5.322 -8.110 1.00 0.00 O ATOM 0 H GLU A 86 -1.256 -3.543 -3.639 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.952 -6.267 -4.104 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.665 -4.713 -4.222 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.553 -6.408 -4.649 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.017 -5.893 -6.472 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.061 -4.206 -6.002 1.00 0.00 H new ATOM 1344 N LEU A 87 -0.222 -5.565 -1.373 1.00 0.00 N ATOM 1345 CA LEU A 87 0.227 -6.103 -0.064 1.00 0.00 C ATOM 1346 C LEU A 87 -0.986 -6.471 0.822 1.00 0.00 C ATOM 1347 O LEU A 87 -0.901 -7.364 1.665 1.00 0.00 O ATOM 1348 CB LEU A 87 1.160 -5.092 0.649 1.00 0.00 C ATOM 1349 CG LEU A 87 2.379 -4.600 -0.191 1.00 0.00 C ATOM 1350 CD1 LEU A 87 3.215 -3.592 0.597 1.00 0.00 C ATOM 1351 CD2 LEU A 87 3.238 -5.774 -0.711 1.00 0.00 C ATOM 0 H LEU A 87 -0.112 -4.555 -1.465 1.00 0.00 H new ATOM 0 HA LEU A 87 0.796 -7.015 -0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.570 -4.224 0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.533 -5.551 1.565 1.00 0.00 H new ATOM 0 HG LEU A 87 1.985 -4.090 -1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.058 -3.265 -0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.598 -2.731 0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.585 -4.060 1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.075 -5.384 -1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.618 -6.349 0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.628 -6.419 -1.344 1.00 0.00 H new ATOM 1363 N VAL A 88 -2.120 -5.785 0.595 1.00 0.00 N ATOM 1364 CA VAL A 88 -3.407 -6.084 1.261 1.00 0.00 C ATOM 1365 C VAL A 88 -4.067 -7.286 0.553 1.00 0.00 C ATOM 1366 O VAL A 88 -4.756 -8.111 1.172 1.00 0.00 O ATOM 1367 CB VAL A 88 -4.353 -4.823 1.235 1.00 0.00 C ATOM 1368 CG1 VAL A 88 -5.715 -5.119 1.918 1.00 0.00 C ATOM 1369 CG2 VAL A 88 -3.657 -3.600 1.891 1.00 0.00 C ATOM 0 H VAL A 88 -2.173 -5.003 -0.058 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.229 -6.336 2.306 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.556 -4.582 0.191 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.342 -4.228 1.882 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.214 -5.935 1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.547 -5.402 2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.327 -2.741 1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.411 -3.834 2.927 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.743 -3.365 1.345 1.00 0.00 H new ATOM 1379 N ALA A 89 -3.810 -7.379 -0.764 1.00 0.00 N ATOM 1380 CA ALA A 89 -4.236 -8.512 -1.598 1.00 0.00 C ATOM 1381 C ALA A 89 -3.461 -9.773 -1.207 1.00 0.00 C ATOM 1382 O ALA A 89 -3.949 -10.874 -1.404 1.00 0.00 O ATOM 1383 CB ALA A 89 -4.033 -8.201 -3.095 1.00 0.00 C ATOM 0 H ALA A 89 -3.297 -6.664 -1.281 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.299 -8.682 -1.429 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.356 -9.055 -3.691 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.621 -7.325 -3.368 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.978 -8.003 -3.286 1.00 0.00 H new ATOM 1389 N ALA A 90 -2.230 -9.575 -0.685 1.00 0.00 N ATOM 1390 CA ALA A 90 -1.405 -10.656 -0.110 1.00 0.00 C ATOM 1391 C ALA A 90 -2.050 -11.180 1.192 1.00 0.00 C ATOM 1392 O ALA A 90 -2.239 -12.393 1.357 1.00 0.00 O ATOM 1393 CB ALA A 90 0.033 -10.151 0.138 1.00 0.00 C ATOM 0 H ALA A 90 -1.782 -8.659 -0.651 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.353 -11.484 -0.817 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.633 -10.956 0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.473 -9.829 -0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.009 -9.311 0.833 1.00 0.00 H new ATOM 1399 N LYS A 91 -2.365 -10.241 2.116 1.00 0.00 N ATOM 1400 CA LYS A 91 -3.210 -10.497 3.316 1.00 0.00 C ATOM 1401 C LYS A 91 -4.519 -11.254 2.975 1.00 0.00 C ATOM 1402 O LYS A 91 -5.025 -12.022 3.796 1.00 0.00 O ATOM 1403 CB LYS A 91 -3.531 -9.147 4.024 1.00 0.00 C ATOM 1404 CG LYS A 91 -4.509 -9.241 5.220 1.00 0.00 C ATOM 1405 CD LYS A 91 -4.758 -7.885 5.912 1.00 0.00 C ATOM 1406 CE LYS A 91 -3.490 -7.317 6.565 1.00 0.00 C ATOM 1407 NZ LYS A 91 -2.904 -8.236 7.581 1.00 0.00 N ATOM 0 H LYS A 91 -2.039 -9.276 2.053 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.643 -11.143 3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.596 -8.709 4.374 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.949 -8.460 3.288 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.460 -9.644 4.872 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.112 -9.946 5.950 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.137 -7.171 5.180 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.531 -8.004 6.671 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.748 -7.116 5.793 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.726 -6.363 7.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.268 -7.701 8.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.667 -8.662 8.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.367 -8.987 7.102 1.00 0.00 H new ATOM 1421 N GLY A 92 -5.042 -11.049 1.756 1.00 0.00 N ATOM 1422 CA GLY A 92 -6.246 -11.737 1.303 1.00 0.00 C ATOM 1423 C GLY A 92 -5.933 -13.095 0.659 1.00 0.00 C ATOM 1424 O GLY A 92 -6.658 -14.076 0.869 1.00 0.00 O ATOM 0 H GLY A 92 -4.643 -10.409 1.069 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -6.918 -11.885 2.149 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.772 -11.109 0.584 1.00 0.00 H new ATOM 1428 N ALA A 93 -4.820 -13.139 -0.102 1.00 0.00 N ATOM 1429 CA ALA A 93 -4.451 -14.277 -0.976 1.00 0.00 C ATOM 1430 C ALA A 93 -3.869 -15.468 -0.209 1.00 0.00 C ATOM 1431 O ALA A 93 -4.046 -16.622 -0.634 1.00 0.00 O ATOM 1432 CB ALA A 93 -3.446 -13.807 -2.040 1.00 0.00 C ATOM 0 H ALA A 93 -4.143 -12.377 -0.129 1.00 0.00 H new ATOM 0 HA ALA A 93 -5.372 -14.625 -1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -3.176 -14.646 -2.681 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -3.897 -13.019 -2.643 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.551 -13.422 -1.551 1.00 0.00 H new ATOM 1438 N LEU A 94 -3.165 -15.196 0.907 1.00 0.00 N ATOM 1439 CA LEU A 94 -2.456 -16.238 1.658 1.00 0.00 C ATOM 1440 C LEU A 94 -3.419 -16.918 2.634 1.00 0.00 C ATOM 1441 O LEU A 94 -3.556 -16.523 3.800 1.00 0.00 O ATOM 1442 CB LEU A 94 -1.217 -15.662 2.389 1.00 0.00 C ATOM 1443 CG LEU A 94 -0.123 -14.978 1.499 1.00 0.00 C ATOM 1444 CD1 LEU A 94 1.138 -14.660 2.333 1.00 0.00 C ATOM 1445 CD2 LEU A 94 0.210 -15.825 0.248 1.00 0.00 C ATOM 0 H LEU A 94 -3.075 -14.261 1.305 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.089 -16.987 0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.564 -14.932 3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.744 -16.472 2.945 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.528 -14.033 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.885 -14.186 1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.875 -13.986 3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.545 -15.584 2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.972 -15.317 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.582 -16.801 0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.689 -15.954 -0.354 1.00 0.00 H new ATOM 1457 N GLU A 95 -4.137 -17.910 2.104 1.00 0.00 N ATOM 1458 CA GLU A 95 -5.046 -18.757 2.875 1.00 0.00 C ATOM 1459 C GLU A 95 -4.265 -19.978 3.402 1.00 0.00 C ATOM 1460 O GLU A 95 -3.039 -20.067 3.222 1.00 0.00 O ATOM 1461 CB GLU A 95 -6.259 -19.147 1.976 1.00 0.00 C ATOM 1462 CG GLU A 95 -7.041 -17.924 1.446 1.00 0.00 C ATOM 1463 CD GLU A 95 -8.065 -18.262 0.350 1.00 0.00 C ATOM 1464 OE1 GLU A 95 -7.694 -18.249 -0.850 1.00 0.00 O ATOM 1465 OE2 GLU A 95 -9.239 -18.545 0.672 1.00 0.00 O ATOM 0 H GLU A 95 -4.102 -18.150 1.113 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.445 -18.231 3.742 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.902 -19.736 1.131 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.936 -19.784 2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.559 -17.449 2.279 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.332 -17.195 1.054 1.00 0.00 H new ATOM 1472 N HIS A 96 -4.974 -20.912 4.052 1.00 0.00 N ATOM 1473 CA HIS A 96 -4.358 -22.098 4.683 1.00 0.00 C ATOM 1474 C HIS A 96 -3.723 -23.005 3.603 1.00 0.00 C ATOM 1475 O HIS A 96 -4.432 -23.718 2.882 1.00 0.00 O ATOM 1476 CB HIS A 96 -5.394 -22.874 5.532 1.00 0.00 C ATOM 1477 CG HIS A 96 -6.031 -22.072 6.644 1.00 0.00 C ATOM 1478 ND1 HIS A 96 -5.772 -22.284 7.982 1.00 0.00 N ATOM 1479 CD2 HIS A 96 -6.922 -21.051 6.600 1.00 0.00 C ATOM 1480 CE1 HIS A 96 -6.475 -21.437 8.708 1.00 0.00 C ATOM 1481 NE2 HIS A 96 -7.183 -20.675 7.896 1.00 0.00 N ATOM 0 H HIS A 96 -5.988 -20.871 4.157 1.00 0.00 H new ATOM 0 HA HIS A 96 -3.569 -21.765 5.357 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -6.180 -23.243 4.873 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -4.906 -23.747 5.966 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -7.349 -20.613 5.710 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -6.472 -21.377 9.786 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -7.819 -19.930 8.183 1.00 0.00 H new ATOM 1490 N HIS A 97 -2.385 -22.845 3.450 1.00 0.00 N ATOM 1491 CA HIS A 97 -1.524 -23.571 2.489 1.00 0.00 C ATOM 1492 C HIS A 97 -1.743 -23.074 1.033 1.00 0.00 C ATOM 1493 O HIS A 97 -1.092 -23.557 0.104 1.00 0.00 O ATOM 1494 CB HIS A 97 -1.691 -25.114 2.631 1.00 0.00 C ATOM 1495 CG HIS A 97 -0.593 -25.950 2.018 1.00 0.00 C ATOM 1496 ND1 HIS A 97 0.572 -26.262 2.687 1.00 0.00 N ATOM 1497 CD2 HIS A 97 -0.501 -26.567 0.814 1.00 0.00 C ATOM 1498 CE1 HIS A 97 1.325 -27.028 1.923 1.00 0.00 C ATOM 1499 NE2 HIS A 97 0.697 -27.229 0.779 1.00 0.00 N ATOM 0 H HIS A 97 -1.858 -22.180 4.016 1.00 0.00 H new ATOM 0 HA HIS A 97 -0.486 -23.346 2.735 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -1.759 -25.358 3.691 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -2.639 -25.402 2.176 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -1.239 -26.541 0.026 1.00 0.00 H new ATOM 0 HE1 HIS A 97 2.294 -27.425 2.188 1.00 0.00 H new ATOM 0 HE2 HIS A 97 1.046 -27.785 -0.001 1.00 0.00 H new ATOM 1508 N HIS A 98 -2.629 -22.072 0.863 1.00 0.00 N ATOM 1509 CA HIS A 98 -2.954 -21.473 -0.449 1.00 0.00 C ATOM 1510 C HIS A 98 -2.172 -20.162 -0.627 1.00 0.00 C ATOM 1511 O HIS A 98 -2.165 -19.315 0.272 1.00 0.00 O ATOM 1512 CB HIS A 98 -4.474 -21.176 -0.567 1.00 0.00 C ATOM 1513 CG HIS A 98 -5.365 -22.384 -0.556 1.00 0.00 C ATOM 1514 ND1 HIS A 98 -6.028 -22.829 0.567 1.00 0.00 N ATOM 1515 CD2 HIS A 98 -5.739 -23.209 -1.558 1.00 0.00 C ATOM 1516 CE1 HIS A 98 -6.768 -23.875 0.249 1.00 0.00 C ATOM 1517 NE2 HIS A 98 -6.611 -24.125 -1.034 1.00 0.00 N ATOM 0 H HIS A 98 -3.143 -21.652 1.637 1.00 0.00 H new ATOM 0 HA HIS A 98 -2.675 -22.186 -1.225 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -4.765 -20.523 0.255 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -4.649 -20.624 -1.490 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -5.410 -23.156 -2.585 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -7.397 -24.432 0.928 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -7.064 -24.877 -1.552 1.00 0.00 H new ATOM 1526 N HIS A 99 -1.521 -20.001 -1.789 1.00 0.00 N ATOM 1527 CA HIS A 99 -0.813 -18.768 -2.164 1.00 0.00 C ATOM 1528 C HIS A 99 -1.469 -18.207 -3.431 1.00 0.00 C ATOM 1529 O HIS A 99 -1.045 -18.519 -4.551 1.00 0.00 O ATOM 1530 CB HIS A 99 0.703 -19.039 -2.371 1.00 0.00 C ATOM 1531 CG HIS A 99 1.352 -19.707 -1.186 1.00 0.00 C ATOM 1532 ND1 HIS A 99 1.692 -21.042 -1.167 1.00 0.00 N ATOM 1533 CD2 HIS A 99 1.687 -19.223 0.034 1.00 0.00 C ATOM 1534 CE1 HIS A 99 2.203 -21.347 0.007 1.00 0.00 C ATOM 1535 NE2 HIS A 99 2.210 -20.262 0.757 1.00 0.00 N ATOM 0 H HIS A 99 -1.471 -20.730 -2.501 1.00 0.00 H new ATOM 0 HA HIS A 99 -0.888 -18.033 -1.363 1.00 0.00 H new ATOM 0 HB2 HIS A 99 0.837 -19.666 -3.252 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.211 -18.095 -2.571 1.00 0.00 H new ATOM 0 HD2 HIS A 99 1.564 -18.205 0.374 1.00 0.00 H new ATOM 0 HE1 HIS A 99 2.557 -22.322 0.306 1.00 0.00 H new ATOM 0 HE2 HIS A 99 2.549 -20.206 1.717 1.00 0.00 H new ATOM 1544 N HIS A 100 -2.575 -17.468 -3.209 1.00 0.00 N ATOM 1545 CA HIS A 100 -3.411 -16.819 -4.250 1.00 0.00 C ATOM 1546 C HIS A 100 -4.354 -17.811 -4.971 1.00 0.00 C ATOM 1547 O HIS A 100 -5.522 -17.478 -5.173 1.00 0.00 O ATOM 1548 CB HIS A 100 -2.589 -16.001 -5.296 1.00 0.00 C ATOM 1549 CG HIS A 100 -3.453 -15.309 -6.331 1.00 0.00 C ATOM 1550 ND1 HIS A 100 -3.388 -15.592 -7.683 1.00 0.00 N ATOM 1551 CD2 HIS A 100 -4.431 -14.373 -6.197 1.00 0.00 C ATOM 1552 CE1 HIS A 100 -4.286 -14.866 -8.325 1.00 0.00 C ATOM 1553 NE2 HIS A 100 -4.928 -14.120 -7.447 1.00 0.00 N ATOM 0 H HIS A 100 -2.927 -17.298 -2.267 1.00 0.00 H new ATOM 0 HA HIS A 100 -4.025 -16.110 -3.694 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -1.991 -15.254 -4.774 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -1.892 -16.669 -5.803 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -4.755 -13.914 -5.275 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -4.464 -14.881 -9.390 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -5.675 -13.460 -7.665 1.00 0.00 H new ATOM 1562 N HIS A 101 -3.835 -18.993 -5.379 1.00 0.00 N ATOM 1563 CA HIS A 101 -4.586 -19.997 -6.173 1.00 0.00 C ATOM 1564 C HIS A 101 -4.893 -19.427 -7.593 1.00 0.00 C ATOM 1565 O HIS A 101 -4.050 -19.597 -8.499 1.00 0.00 O ATOM 1566 CB HIS A 101 -5.861 -20.495 -5.405 1.00 0.00 C ATOM 1567 CG HIS A 101 -6.780 -21.415 -6.176 1.00 0.00 C ATOM 1568 ND1 HIS A 101 -6.439 -22.699 -6.539 1.00 0.00 N ATOM 1569 CD2 HIS A 101 -8.030 -21.210 -6.664 1.00 0.00 C ATOM 1570 CE1 HIS A 101 -7.436 -23.239 -7.220 1.00 0.00 C ATOM 1571 NE2 HIS A 101 -8.413 -22.357 -7.300 1.00 0.00 N ATOM 1572 OXT HIS A 101 -5.944 -18.775 -7.789 1.00 0.00 O ATOM 0 H HIS A 101 -2.879 -19.279 -5.166 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.970 -20.885 -6.313 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -5.538 -21.011 -4.501 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -6.434 -19.623 -5.088 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -8.614 -20.307 -6.567 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -7.448 -24.234 -7.640 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -9.310 -22.507 -7.762 1.00 0.00 H new TER 1581 HIS A 101 HETATM 1582 P24 PNS A 102 14.385 12.079 1.693 1.00 0.00 P HETATM 1583 O25 PNS A 102 13.503 12.469 0.585 1.00 0.00 O HETATM 1584 O26 PNS A 102 15.372 11.007 1.422 1.00 0.00 O HETATM 1585 O27 PNS A 102 15.124 13.386 2.249 1.00 0.00 O HETATM 1586 C28 PNS A 102 15.959 13.344 3.410 1.00 0.00 C HETATM 1587 C29 PNS A 102 16.836 14.632 3.507 1.00 0.00 C HETATM 1588 C30 PNS A 102 15.915 15.886 3.604 1.00 0.00 C HETATM 1589 C31 PNS A 102 17.706 14.756 2.220 1.00 0.00 C HETATM 1590 C32 PNS A 102 17.731 14.566 4.810 1.00 0.00 C HETATM 1591 O33 PNS A 102 16.889 14.620 5.972 1.00 0.00 O HETATM 1592 C34 PNS A 102 18.627 13.307 4.877 1.00 0.00 C HETATM 1593 O35 PNS A 102 18.343 12.380 5.652 1.00 0.00 O HETATM 1594 N36 PNS A 102 19.695 13.291 4.059 1.00 0.00 N HETATM 1595 C37 PNS A 102 20.660 12.178 3.988 1.00 0.00 C HETATM 1596 C38 PNS A 102 21.542 12.065 5.269 1.00 0.00 C HETATM 1597 C39 PNS A 102 21.868 13.426 5.939 1.00 0.00 C HETATM 1598 O40 PNS A 102 21.347 13.708 7.026 1.00 0.00 O HETATM 1599 N41 PNS A 102 22.751 14.285 5.361 1.00 0.00 N HETATM 1600 C42 PNS A 102 23.458 14.060 4.079 1.00 0.00 C HETATM 1601 C43 PNS A 102 24.349 15.240 3.713 1.00 0.00 C HETATM 1602 S44 PNS A 102 25.157 15.014 2.114 1.00 0.00 S HETATM 0 H432 PNS A 102 23.751 16.151 3.691 1.00 0.00 H new HETATM 0 H431 PNS A 102 25.106 15.374 4.485 1.00 0.00 H new HETATM 0 H422 PNS A 102 22.729 13.894 3.286 1.00 0.00 H new HETATM 0 H421 PNS A 102 24.063 13.156 4.151 1.00 0.00 H new HETATM 0 H382 PNS A 102 22.476 11.567 5.010 1.00 0.00 H new HETATM 0 H381 PNS A 102 21.032 11.429 5.993 1.00 0.00 H new HETATM 0 H372 PNS A 102 21.304 12.315 3.119 1.00 0.00 H new HETATM 0 H371 PNS A 102 20.120 11.243 3.840 1.00 0.00 H new HETATM 0 H313 PNS A 102 18.321 15.654 2.282 1.00 0.00 H new HETATM 0 H312 PNS A 102 17.057 14.820 1.347 1.00 0.00 H new HETATM 0 H311 PNS A 102 18.350 13.881 2.130 1.00 0.00 H new HETATM 0 H303 PNS A 102 16.529 16.784 3.672 1.00 0.00 H new HETATM 0 H302 PNS A 102 15.287 15.808 4.491 1.00 0.00 H new HETATM 0 H301 PNS A 102 15.284 15.944 2.717 1.00 0.00 H new HETATM 0 H282 PNS A 102 16.600 12.464 3.371 1.00 0.00 H new HETATM 0 H281 PNS A 102 15.343 13.250 4.304 1.00 0.00 H new HETATM 0 H44 PNS A 102 25.900 16.048 1.853 1.00 0.00 H new HETATM 0 H41 PNS A 102 22.942 15.158 5.852 1.00 0.00 H new HETATM 0 H36 PNS A 102 19.846 14.097 3.452 1.00 0.00 H new HETATM 0 H33 PNS A 102 17.009 13.804 6.501 1.00 0.00 H new HETATM 0 H32 PNS A 102 18.401 15.425 4.776 1.00 0.00 H new