USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 772 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 CYS SG : rot 180:sc= 0.321 USER MOD Set 1.2: A 69 TYR OH : rot -169:sc= 0.314 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0195 (180deg=-0.44) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -171:sc= -0.126 (180deg=-0.215) USER MOD Single : A 5 ASN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -2.67 K(o=-2.7,f=-1.3) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -1.4 X(o=-1.4,f=-0.94) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.27 K(o=-0.27,f=-2.4!) USER MOD Single : A 33 THR OG1 : rot -114:sc= 0.0443 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.039) USER MOD Single : A 45 GLN : amide:sc= -0.0031 X(o=-0.0031,f=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 50 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00207) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 158:sc= -0.154 (180deg=-0.712) USER MOD Single : A 60 HIS : no HD1:sc= -7.58! C(o=-7.6!,f=-9.1!) USER MOD Single : A 62 LYS NZ :NH3+ -126:sc= -3.09! (180deg=-9.77!) USER MOD Single : A 72 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.102) USER MOD Single : A 83 SER OG : rot 180:sc= -0.979 USER MOD Single : A 84 HIS : no HD1:sc= -0.0337 X(o=-0.034,f=-0.021) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.050 -2.694 12.234 1.00 0.00 N ATOM 2 CA MET A 1 -12.111 -2.783 11.085 1.00 0.00 C ATOM 3 C MET A 1 -12.836 -3.209 9.812 1.00 0.00 C ATOM 4 O MET A 1 -13.844 -3.913 9.866 1.00 0.00 O ATOM 5 CB MET A 1 -11.014 -3.792 11.429 1.00 0.00 C ATOM 6 CG MET A 1 -9.645 -3.412 10.886 1.00 0.00 C ATOM 7 SD MET A 1 -8.723 -4.834 10.272 1.00 0.00 S ATOM 8 CE MET A 1 -8.181 -4.225 8.677 1.00 0.00 C ATOM 0 H1 MET A 1 -12.530 -2.402 13.086 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.790 -1.994 12.024 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.488 -3.623 12.397 1.00 0.00 H new ATOM 0 HA MET A 1 -11.675 -1.801 10.902 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.951 -3.892 12.513 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.294 -4.769 11.034 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.766 -2.687 10.081 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.070 -2.923 11.672 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.867 -5.063 8.055 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.002 -3.699 8.190 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.343 -3.541 8.814 1.00 0.00 H new ATOM 20 N LEU A 2 -12.315 -2.777 8.668 1.00 0.00 N ATOM 21 CA LEU A 2 -12.911 -3.115 7.381 1.00 0.00 C ATOM 22 C LEU A 2 -12.213 -4.319 6.757 1.00 0.00 C ATOM 23 O LEU A 2 -11.097 -4.669 7.140 1.00 0.00 O ATOM 24 CB LEU A 2 -12.837 -1.919 6.430 1.00 0.00 C ATOM 25 CG LEU A 2 -13.735 -0.738 6.804 1.00 0.00 C ATOM 26 CD1 LEU A 2 -13.117 0.570 6.337 1.00 0.00 C ATOM 27 CD2 LEU A 2 -15.124 -0.917 6.210 1.00 0.00 C ATOM 0 H LEU A 2 -11.482 -2.192 8.606 1.00 0.00 H new ATOM 0 HA LEU A 2 -13.957 -3.371 7.550 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.805 -1.572 6.387 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -13.102 -2.254 5.427 1.00 0.00 H new ATOM 0 HG LEU A 2 -13.828 -0.704 7.890 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.769 1.399 6.611 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -12.144 0.702 6.810 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.994 0.548 5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -15.750 -0.068 6.486 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -15.050 -0.976 5.124 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -15.568 -1.835 6.594 1.00 0.00 H new ATOM 39 N LYS A 3 -12.878 -4.946 5.793 1.00 0.00 N ATOM 40 CA LYS A 3 -12.323 -6.111 5.114 1.00 0.00 C ATOM 41 C LYS A 3 -11.096 -5.726 4.291 1.00 0.00 C ATOM 42 O LYS A 3 -10.897 -4.555 3.968 1.00 0.00 O ATOM 43 CB LYS A 3 -13.377 -6.748 4.208 1.00 0.00 C ATOM 44 CG LYS A 3 -13.261 -8.260 4.107 1.00 0.00 C ATOM 45 CD LYS A 3 -12.591 -8.685 2.811 1.00 0.00 C ATOM 46 CE LYS A 3 -13.483 -8.421 1.608 1.00 0.00 C ATOM 47 NZ LYS A 3 -14.668 -9.323 1.585 1.00 0.00 N ATOM 0 H LYS A 3 -13.802 -4.667 5.464 1.00 0.00 H new ATOM 0 HA LYS A 3 -12.020 -6.833 5.872 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -14.368 -6.493 4.583 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -13.293 -6.318 3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -12.689 -8.639 4.954 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -14.254 -8.706 4.167 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.651 -8.146 2.693 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.347 -9.746 2.858 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.817 -7.384 1.625 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.907 -8.556 0.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -15.166 -9.218 0.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -14.356 -10.309 1.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -15.310 -9.073 2.364 1.00 0.00 H new ATOM 61 N LEU A 4 -10.280 -6.720 3.952 1.00 0.00 N ATOM 62 CA LEU A 4 -9.078 -6.486 3.164 1.00 0.00 C ATOM 63 C LEU A 4 -9.022 -7.426 1.965 1.00 0.00 C ATOM 64 O LEU A 4 -9.455 -8.576 2.044 1.00 0.00 O ATOM 65 CB LEU A 4 -7.829 -6.670 4.030 1.00 0.00 C ATOM 66 CG LEU A 4 -6.501 -6.415 3.313 1.00 0.00 C ATOM 67 CD1 LEU A 4 -5.531 -5.678 4.224 1.00 0.00 C ATOM 68 CD2 LEU A 4 -5.893 -7.727 2.838 1.00 0.00 C ATOM 0 H LEU A 4 -10.431 -7.695 4.212 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.109 -5.460 2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.897 -5.999 4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.824 -7.687 4.422 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.696 -5.788 2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.594 -5.507 3.695 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.963 -4.721 4.517 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.341 -6.278 5.114 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.949 -7.528 2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.714 -8.376 3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.580 -8.218 2.148 1.00 0.00 H new ATOM 80 N ASN A 5 -8.489 -6.930 0.854 1.00 0.00 N ATOM 81 CA ASN A 5 -8.379 -7.727 -0.362 1.00 0.00 C ATOM 82 C ASN A 5 -7.062 -7.443 -1.081 1.00 0.00 C ATOM 83 O ASN A 5 -6.402 -6.439 -0.814 1.00 0.00 O ATOM 84 CB ASN A 5 -9.559 -7.436 -1.293 1.00 0.00 C ATOM 85 CG ASN A 5 -10.256 -8.702 -1.753 1.00 0.00 C ATOM 86 OD1 ASN A 5 -9.609 -9.676 -2.138 1.00 0.00 O ATOM 87 ND2 ASN A 5 -11.584 -8.694 -1.716 1.00 0.00 N ATOM 0 H ASN A 5 -8.127 -5.980 0.770 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.398 -8.780 -0.082 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.276 -6.796 -0.778 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.205 -6.883 -2.163 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -12.107 -9.517 -2.014 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -12.080 -7.865 -1.390 1.00 0.00 H new ATOM 94 N LEU A 6 -6.689 -8.334 -1.994 1.00 0.00 N ATOM 95 CA LEU A 6 -5.452 -8.179 -2.751 1.00 0.00 C ATOM 96 C LEU A 6 -5.726 -8.210 -4.252 1.00 0.00 C ATOM 97 O LEU A 6 -6.334 -9.151 -4.763 1.00 0.00 O ATOM 98 CB LEU A 6 -4.461 -9.283 -2.379 1.00 0.00 C ATOM 99 CG LEU A 6 -4.165 -9.411 -0.881 1.00 0.00 C ATOM 100 CD1 LEU A 6 -4.754 -10.698 -0.326 1.00 0.00 C ATOM 101 CD2 LEU A 6 -2.666 -9.355 -0.624 1.00 0.00 C ATOM 0 H LEU A 6 -7.225 -9.170 -2.227 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.019 -7.211 -2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.849 -10.235 -2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.524 -9.101 -2.905 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.633 -8.571 -0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.533 -10.770 0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.834 -10.697 -0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.318 -11.551 -0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.476 -9.448 0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.176 -10.173 -1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.271 -8.404 -0.982 1.00 0.00 H new ATOM 113 N LYS A 7 -5.274 -7.175 -4.952 1.00 0.00 N ATOM 114 CA LYS A 7 -5.470 -7.082 -6.393 1.00 0.00 C ATOM 115 C LYS A 7 -4.286 -7.682 -7.144 1.00 0.00 C ATOM 116 O LYS A 7 -3.247 -7.974 -6.552 1.00 0.00 O ATOM 117 CB LYS A 7 -5.665 -5.623 -6.809 1.00 0.00 C ATOM 118 CG LYS A 7 -7.041 -5.074 -6.473 1.00 0.00 C ATOM 119 CD LYS A 7 -8.108 -5.646 -7.394 1.00 0.00 C ATOM 120 CE LYS A 7 -9.505 -5.404 -6.845 1.00 0.00 C ATOM 121 NZ LYS A 7 -10.560 -5.828 -7.805 1.00 0.00 N ATOM 0 H LYS A 7 -4.769 -6.388 -4.544 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.365 -7.649 -6.649 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.909 -5.010 -6.319 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.500 -5.535 -7.883 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.286 -5.312 -5.438 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.031 -3.987 -6.556 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.020 -5.192 -8.381 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.946 -6.716 -7.520 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.626 -5.948 -5.909 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.627 -4.345 -6.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.498 -5.646 -7.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.461 -5.291 -8.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.460 -6.844 -8.004 1.00 0.00 H new ATOM 135 N LYS A 8 -4.449 -7.863 -8.450 1.00 0.00 N ATOM 136 CA LYS A 8 -3.393 -8.429 -9.281 1.00 0.00 C ATOM 137 C LYS A 8 -2.142 -7.557 -9.235 1.00 0.00 C ATOM 138 O LYS A 8 -1.020 -8.058 -9.325 1.00 0.00 O ATOM 139 CB LYS A 8 -3.872 -8.571 -10.727 1.00 0.00 C ATOM 140 CG LYS A 8 -4.961 -9.616 -10.906 1.00 0.00 C ATOM 141 CD LYS A 8 -5.969 -9.195 -11.965 1.00 0.00 C ATOM 142 CE LYS A 8 -6.359 -10.363 -12.858 1.00 0.00 C ATOM 143 NZ LYS A 8 -7.790 -10.298 -13.263 1.00 0.00 N ATOM 0 H LYS A 8 -5.302 -7.626 -8.956 1.00 0.00 H new ATOM 0 HA LYS A 8 -3.146 -9.415 -8.888 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.244 -7.607 -11.074 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.023 -8.831 -11.359 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.511 -10.568 -11.189 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.473 -9.775 -9.957 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.859 -8.792 -11.482 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.547 -8.395 -12.574 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.730 -10.366 -13.748 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.172 -11.300 -12.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.016 -11.111 -13.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.392 -10.321 -12.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.963 -9.416 -13.786 1.00 0.00 H new ATOM 157 N SER A 9 -2.342 -6.251 -9.089 1.00 0.00 N ATOM 158 CA SER A 9 -1.230 -5.309 -9.029 1.00 0.00 C ATOM 159 C SER A 9 -0.466 -5.455 -7.717 1.00 0.00 C ATOM 160 O SER A 9 0.763 -5.522 -7.709 1.00 0.00 O ATOM 161 CB SER A 9 -1.742 -3.876 -9.179 1.00 0.00 C ATOM 162 OG SER A 9 -2.314 -3.668 -10.458 1.00 0.00 O ATOM 0 H SER A 9 -3.264 -5.821 -9.010 1.00 0.00 H new ATOM 0 HA SER A 9 -0.550 -5.532 -9.851 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.484 -3.670 -8.408 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.921 -3.176 -9.027 1.00 0.00 H new ATOM 0 HG SER A 9 -2.635 -2.745 -10.527 1.00 0.00 H new ATOM 168 N PHE A 10 -1.201 -5.500 -6.611 1.00 0.00 N ATOM 169 CA PHE A 10 -0.593 -5.634 -5.293 1.00 0.00 C ATOM 170 C PHE A 10 0.135 -6.968 -5.161 1.00 0.00 C ATOM 171 O PHE A 10 1.128 -7.076 -4.440 1.00 0.00 O ATOM 172 CB PHE A 10 -1.656 -5.514 -4.201 1.00 0.00 C ATOM 173 CG PHE A 10 -1.084 -5.254 -2.836 1.00 0.00 C ATOM 174 CD1 PHE A 10 -0.596 -4.003 -2.503 1.00 0.00 C ATOM 175 CD2 PHE A 10 -1.034 -6.264 -1.888 1.00 0.00 C ATOM 176 CE1 PHE A 10 -0.067 -3.761 -1.249 1.00 0.00 C ATOM 177 CE2 PHE A 10 -0.505 -6.029 -0.633 1.00 0.00 C ATOM 178 CZ PHE A 10 -0.021 -4.776 -0.313 1.00 0.00 C ATOM 0 H PHE A 10 -2.220 -5.446 -6.602 1.00 0.00 H new ATOM 0 HA PHE A 10 0.133 -4.829 -5.175 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.342 -4.707 -4.459 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.242 -6.433 -4.172 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.629 -3.206 -3.231 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.413 -7.245 -2.133 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.310 -2.780 -1.001 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.470 -6.825 0.097 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.393 -4.590 0.667 1.00 0.00 H new ATOM 188 N GLN A 11 -0.364 -7.983 -5.859 1.00 0.00 N ATOM 189 CA GLN A 11 0.238 -9.310 -5.818 1.00 0.00 C ATOM 190 C GLN A 11 1.658 -9.284 -6.378 1.00 0.00 C ATOM 191 O GLN A 11 2.578 -9.849 -5.788 1.00 0.00 O ATOM 192 CB GLN A 11 -0.615 -10.306 -6.606 1.00 0.00 C ATOM 193 CG GLN A 11 -1.887 -10.721 -5.884 1.00 0.00 C ATOM 194 CD GLN A 11 -3.018 -11.051 -6.837 1.00 0.00 C ATOM 195 OE1 GLN A 11 -2.839 -11.806 -7.793 1.00 0.00 O ATOM 196 NE2 GLN A 11 -4.193 -10.488 -6.580 1.00 0.00 N ATOM 0 H GLN A 11 -1.185 -7.911 -6.460 1.00 0.00 H new ATOM 0 HA GLN A 11 0.284 -9.626 -4.776 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.880 -9.865 -7.567 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.020 -11.195 -6.817 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.679 -11.589 -5.259 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.201 -9.917 -5.218 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.297 -9.868 -5.776 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.992 -10.675 -7.186 1.00 0.00 H new ATOM 205 N LYS A 12 1.827 -8.627 -7.521 1.00 0.00 N ATOM 206 CA LYS A 12 3.135 -8.530 -8.159 1.00 0.00 C ATOM 207 C LYS A 12 3.934 -7.339 -7.627 1.00 0.00 C ATOM 208 O LYS A 12 5.100 -7.155 -7.971 1.00 0.00 O ATOM 209 CB LYS A 12 2.973 -8.410 -9.676 1.00 0.00 C ATOM 210 CG LYS A 12 2.101 -7.242 -10.104 1.00 0.00 C ATOM 211 CD LYS A 12 2.354 -6.859 -11.553 1.00 0.00 C ATOM 212 CE LYS A 12 1.058 -6.538 -12.279 1.00 0.00 C ATOM 213 NZ LYS A 12 1.283 -6.269 -13.727 1.00 0.00 N ATOM 0 H LYS A 12 1.076 -8.155 -8.024 1.00 0.00 H new ATOM 0 HA LYS A 12 3.687 -9.439 -7.922 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.958 -8.303 -10.131 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.543 -9.334 -10.061 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.051 -7.504 -9.974 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.298 -6.385 -9.460 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.017 -5.995 -11.591 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.865 -7.676 -12.062 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.364 -7.371 -12.168 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.589 -5.669 -11.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.375 -6.054 -14.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.925 -5.458 -13.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.707 -7.107 -14.174 1.00 0.00 H new ATOM 227 N ASP A 13 3.302 -6.531 -6.785 1.00 0.00 N ATOM 228 CA ASP A 13 3.960 -5.365 -6.207 1.00 0.00 C ATOM 229 C ASP A 13 4.637 -5.716 -4.883 1.00 0.00 C ATOM 230 O ASP A 13 5.467 -4.959 -4.382 1.00 0.00 O ATOM 231 CB ASP A 13 2.947 -4.239 -5.993 1.00 0.00 C ATOM 232 CG ASP A 13 2.918 -3.260 -7.151 1.00 0.00 C ATOM 233 OD1 ASP A 13 3.824 -2.404 -7.229 1.00 0.00 O ATOM 234 OD2 ASP A 13 1.987 -3.350 -7.980 1.00 0.00 O ATOM 0 H ASP A 13 2.335 -6.661 -6.487 1.00 0.00 H new ATOM 0 HA ASP A 13 4.727 -5.030 -6.905 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.954 -4.668 -5.858 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.190 -3.704 -5.075 1.00 0.00 H new ATOM 239 N PHE A 14 4.267 -6.862 -4.318 1.00 0.00 N ATOM 240 CA PHE A 14 4.827 -7.308 -3.050 1.00 0.00 C ATOM 241 C PHE A 14 6.067 -8.174 -3.256 1.00 0.00 C ATOM 242 O PHE A 14 7.187 -7.736 -3.008 1.00 0.00 O ATOM 243 CB PHE A 14 3.774 -8.078 -2.250 1.00 0.00 C ATOM 244 CG PHE A 14 4.271 -8.579 -0.924 1.00 0.00 C ATOM 245 CD1 PHE A 14 4.966 -7.740 -0.068 1.00 0.00 C ATOM 246 CD2 PHE A 14 4.044 -9.889 -0.536 1.00 0.00 C ATOM 247 CE1 PHE A 14 5.424 -8.199 1.152 1.00 0.00 C ATOM 248 CE2 PHE A 14 4.499 -10.354 0.683 1.00 0.00 C ATOM 249 CZ PHE A 14 5.191 -9.507 1.529 1.00 0.00 C ATOM 0 H PHE A 14 3.580 -7.499 -4.721 1.00 0.00 H new ATOM 0 HA PHE A 14 5.129 -6.423 -2.490 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.912 -7.432 -2.084 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.428 -8.925 -2.842 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.152 -6.716 -0.358 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.505 -10.555 -1.194 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.964 -7.535 1.811 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.314 -11.377 0.975 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.548 -9.867 2.482 1.00 0.00 H new ATOM 259 N ASP A 15 5.857 -9.412 -3.692 1.00 0.00 N ATOM 260 CA ASP A 15 6.959 -10.344 -3.905 1.00 0.00 C ATOM 261 C ASP A 15 7.677 -10.090 -5.227 1.00 0.00 C ATOM 262 O ASP A 15 8.885 -10.302 -5.330 1.00 0.00 O ATOM 263 CB ASP A 15 6.446 -11.785 -3.862 1.00 0.00 C ATOM 264 CG ASP A 15 6.553 -12.396 -2.480 1.00 0.00 C ATOM 265 OD1 ASP A 15 6.237 -11.697 -1.494 1.00 0.00 O ATOM 266 OD2 ASP A 15 6.954 -13.576 -2.381 1.00 0.00 O ATOM 0 H ASP A 15 4.935 -9.793 -3.905 1.00 0.00 H new ATOM 0 HA ASP A 15 7.678 -10.186 -3.102 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.406 -11.807 -4.186 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.013 -12.391 -4.569 1.00 0.00 H new ATOM 271 N LYS A 16 6.939 -9.644 -6.239 1.00 0.00 N ATOM 272 CA LYS A 16 7.539 -9.380 -7.544 1.00 0.00 C ATOM 273 C LYS A 16 8.346 -8.084 -7.529 1.00 0.00 C ATOM 274 O LYS A 16 9.172 -7.850 -8.413 1.00 0.00 O ATOM 275 CB LYS A 16 6.465 -9.326 -8.629 1.00 0.00 C ATOM 276 CG LYS A 16 6.508 -10.506 -9.588 1.00 0.00 C ATOM 277 CD LYS A 16 5.187 -11.258 -9.609 1.00 0.00 C ATOM 278 CE LYS A 16 5.369 -12.693 -10.076 1.00 0.00 C ATOM 279 NZ LYS A 16 4.117 -13.252 -10.657 1.00 0.00 N ATOM 0 H LYS A 16 5.937 -9.459 -6.184 1.00 0.00 H new ATOM 0 HA LYS A 16 8.221 -10.200 -7.769 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.484 -9.289 -8.156 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.580 -8.403 -9.197 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.742 -10.151 -10.592 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.309 -11.185 -9.295 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.748 -11.252 -8.611 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.486 -10.746 -10.268 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.164 -12.734 -10.820 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.686 -13.311 -9.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.284 -14.232 -10.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.364 -13.237 -9.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.827 -12.678 -11.475 1.00 0.00 H new ATOM 293 N LEU A 17 8.118 -7.248 -6.519 1.00 0.00 N ATOM 294 CA LEU A 17 8.837 -5.992 -6.396 1.00 0.00 C ATOM 295 C LEU A 17 10.102 -6.201 -5.579 1.00 0.00 C ATOM 296 O LEU A 17 11.146 -5.612 -5.863 1.00 0.00 O ATOM 297 CB LEU A 17 7.952 -4.940 -5.727 1.00 0.00 C ATOM 298 CG LEU A 17 8.663 -3.641 -5.358 1.00 0.00 C ATOM 299 CD1 LEU A 17 9.016 -2.850 -6.610 1.00 0.00 C ATOM 300 CD2 LEU A 17 7.800 -2.808 -4.421 1.00 0.00 C ATOM 0 H LEU A 17 7.441 -7.421 -5.777 1.00 0.00 H new ATOM 0 HA LEU A 17 9.107 -5.641 -7.392 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.123 -4.706 -6.395 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.521 -5.371 -4.823 1.00 0.00 H new ATOM 0 HG LEU A 17 9.589 -3.890 -4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.522 -1.927 -6.327 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.674 -3.445 -7.243 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.105 -2.610 -7.158 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.323 -1.886 -4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.857 -2.568 -4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.601 -3.373 -3.510 1.00 0.00 H new ATOM 312 N LEU A 18 9.995 -7.052 -4.561 1.00 0.00 N ATOM 313 CA LEU A 18 11.125 -7.355 -3.687 1.00 0.00 C ATOM 314 C LEU A 18 12.360 -7.742 -4.500 1.00 0.00 C ATOM 315 O LEU A 18 13.474 -7.315 -4.198 1.00 0.00 O ATOM 316 CB LEU A 18 10.765 -8.497 -2.729 1.00 0.00 C ATOM 317 CG LEU A 18 10.009 -8.110 -1.445 1.00 0.00 C ATOM 318 CD1 LEU A 18 9.232 -6.809 -1.606 1.00 0.00 C ATOM 319 CD2 LEU A 18 9.075 -9.235 -1.029 1.00 0.00 C ATOM 0 H LEU A 18 9.135 -7.545 -4.321 1.00 0.00 H new ATOM 0 HA LEU A 18 11.353 -6.457 -3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.160 -9.221 -3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.686 -9.003 -2.442 1.00 0.00 H new ATOM 0 HG LEU A 18 10.752 -7.949 -0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.715 -6.576 -0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.922 -6.001 -1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.503 -6.918 -2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.545 -8.951 -0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.354 -9.423 -1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.655 -10.139 -0.844 1.00 0.00 H new ATOM 331 N LEU A 19 12.153 -8.562 -5.527 1.00 0.00 N ATOM 332 CA LEU A 19 13.247 -9.018 -6.379 1.00 0.00 C ATOM 333 C LEU A 19 13.484 -8.066 -7.553 1.00 0.00 C ATOM 334 O LEU A 19 14.361 -8.303 -8.384 1.00 0.00 O ATOM 335 CB LEU A 19 12.953 -10.423 -6.907 1.00 0.00 C ATOM 336 CG LEU A 19 11.780 -10.513 -7.887 1.00 0.00 C ATOM 337 CD1 LEU A 19 12.277 -10.430 -9.322 1.00 0.00 C ATOM 338 CD2 LEU A 19 10.996 -11.798 -7.667 1.00 0.00 C ATOM 0 H LEU A 19 11.236 -8.925 -5.789 1.00 0.00 H new ATOM 0 HA LEU A 19 14.151 -9.036 -5.771 1.00 0.00 H new ATOM 0 HB2 LEU A 19 13.848 -10.805 -7.399 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.750 -11.078 -6.060 1.00 0.00 H new ATOM 0 HG LEU A 19 11.114 -9.670 -7.704 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.430 -10.496 -10.005 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.793 -9.482 -9.474 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.965 -11.253 -9.517 1.00 0.00 H new ATOM 0 HD21 LEU A 19 10.167 -11.844 -8.373 1.00 0.00 H new ATOM 0 HD22 LEU A 19 11.651 -12.655 -7.821 1.00 0.00 H new ATOM 0 HD23 LEU A 19 10.607 -11.817 -6.649 1.00 0.00 H new ATOM 350 N ASN A 20 12.701 -6.991 -7.621 1.00 0.00 N ATOM 351 CA ASN A 20 12.837 -6.016 -8.697 1.00 0.00 C ATOM 352 C ASN A 20 13.668 -4.820 -8.244 1.00 0.00 C ATOM 353 O ASN A 20 13.445 -3.694 -8.689 1.00 0.00 O ATOM 354 CB ASN A 20 11.459 -5.548 -9.164 1.00 0.00 C ATOM 355 CG ASN A 20 11.533 -4.675 -10.401 1.00 0.00 C ATOM 356 OD1 ASN A 20 11.733 -5.167 -11.512 1.00 0.00 O ATOM 357 ND2 ASN A 20 11.371 -3.370 -10.215 1.00 0.00 N ATOM 0 H ASN A 20 11.968 -6.775 -6.945 1.00 0.00 H new ATOM 0 HA ASN A 20 13.351 -6.497 -9.529 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.835 -6.417 -9.373 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.975 -4.994 -8.360 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.410 -2.733 -11.010 1.00 0.00 H new ATOM 0 HD22 ASN A 20 11.207 -3.005 -9.277 1.00 0.00 H new ATOM 364 N GLY A 21 14.622 -5.071 -7.356 1.00 0.00 N ATOM 365 CA GLY A 21 15.469 -4.005 -6.855 1.00 0.00 C ATOM 366 C GLY A 21 14.874 -3.311 -5.645 1.00 0.00 C ATOM 367 O GLY A 21 15.213 -2.166 -5.350 1.00 0.00 O ATOM 0 H GLY A 21 14.825 -5.995 -6.973 1.00 0.00 H new ATOM 0 HA2 GLY A 21 16.445 -4.414 -6.592 1.00 0.00 H new ATOM 0 HA3 GLY A 21 15.632 -3.273 -7.646 1.00 0.00 H new ATOM 371 N PHE A 22 13.987 -4.007 -4.942 1.00 0.00 N ATOM 372 CA PHE A 22 13.347 -3.452 -3.756 1.00 0.00 C ATOM 373 C PHE A 22 13.901 -4.098 -2.490 1.00 0.00 C ATOM 374 O PHE A 22 14.170 -5.298 -2.461 1.00 0.00 O ATOM 375 CB PHE A 22 11.830 -3.648 -3.827 1.00 0.00 C ATOM 376 CG PHE A 22 11.110 -3.171 -2.598 1.00 0.00 C ATOM 377 CD1 PHE A 22 11.023 -3.980 -1.479 1.00 0.00 C ATOM 378 CD2 PHE A 22 10.525 -1.916 -2.563 1.00 0.00 C ATOM 379 CE1 PHE A 22 10.364 -3.547 -0.344 1.00 0.00 C ATOM 380 CE2 PHE A 22 9.866 -1.476 -1.431 1.00 0.00 C ATOM 381 CZ PHE A 22 9.786 -2.292 -0.320 1.00 0.00 C ATOM 0 H PHE A 22 13.695 -4.957 -5.173 1.00 0.00 H new ATOM 0 HA PHE A 22 13.563 -2.384 -3.721 1.00 0.00 H new ATOM 0 HB2 PHE A 22 11.442 -3.116 -4.696 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.614 -4.706 -3.978 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.475 -4.961 -1.493 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.585 -1.274 -3.430 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.301 -4.188 0.523 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.414 -0.495 -1.415 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.272 -1.950 0.566 1.00 0.00 H new ATOM 391 N ASP A 23 14.067 -3.293 -1.447 1.00 0.00 N ATOM 392 CA ASP A 23 14.588 -3.786 -0.177 1.00 0.00 C ATOM 393 C ASP A 23 13.499 -4.504 0.614 1.00 0.00 C ATOM 394 O ASP A 23 12.610 -3.872 1.180 1.00 0.00 O ATOM 395 CB ASP A 23 15.153 -2.628 0.649 1.00 0.00 C ATOM 396 CG ASP A 23 16.128 -3.097 1.710 1.00 0.00 C ATOM 397 OD1 ASP A 23 17.038 -3.884 1.374 1.00 0.00 O ATOM 398 OD2 ASP A 23 15.982 -2.678 2.877 1.00 0.00 O ATOM 0 H ASP A 23 13.849 -2.297 -1.455 1.00 0.00 H new ATOM 0 HA ASP A 23 15.387 -4.496 -0.390 1.00 0.00 H new ATOM 0 HB2 ASP A 23 15.654 -1.923 -0.014 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.333 -2.091 1.125 1.00 0.00 H new ATOM 403 N ASP A 24 13.578 -5.830 0.650 1.00 0.00 N ATOM 404 CA ASP A 24 12.597 -6.634 1.372 1.00 0.00 C ATOM 405 C ASP A 24 12.654 -6.368 2.875 1.00 0.00 C ATOM 406 O ASP A 24 11.746 -6.748 3.615 1.00 0.00 O ATOM 407 CB ASP A 24 12.829 -8.122 1.098 1.00 0.00 C ATOM 408 CG ASP A 24 14.247 -8.555 1.417 1.00 0.00 C ATOM 409 OD1 ASP A 24 14.913 -7.863 2.217 1.00 0.00 O ATOM 410 OD2 ASP A 24 14.691 -9.584 0.869 1.00 0.00 O ATOM 0 H ASP A 24 14.310 -6.371 0.189 1.00 0.00 H new ATOM 0 HA ASP A 24 11.607 -6.350 1.015 1.00 0.00 H new ATOM 0 HB2 ASP A 24 12.130 -8.711 1.692 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.615 -8.333 0.050 1.00 0.00 H new ATOM 415 N SER A 25 13.723 -5.717 3.327 1.00 0.00 N ATOM 416 CA SER A 25 13.888 -5.409 4.745 1.00 0.00 C ATOM 417 C SER A 25 12.995 -4.246 5.172 1.00 0.00 C ATOM 418 O SER A 25 12.706 -4.080 6.357 1.00 0.00 O ATOM 419 CB SER A 25 15.350 -5.080 5.049 1.00 0.00 C ATOM 420 OG SER A 25 15.497 -4.574 6.363 1.00 0.00 O ATOM 0 H SER A 25 14.486 -5.393 2.733 1.00 0.00 H new ATOM 0 HA SER A 25 13.590 -6.291 5.312 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.960 -5.976 4.931 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.718 -4.347 4.331 1.00 0.00 H new ATOM 0 HG SER A 25 16.441 -4.373 6.532 1.00 0.00 H new ATOM 426 N VAL A 26 12.567 -3.436 4.208 1.00 0.00 N ATOM 427 CA VAL A 26 11.715 -2.288 4.502 1.00 0.00 C ATOM 428 C VAL A 26 10.235 -2.664 4.474 1.00 0.00 C ATOM 429 O VAL A 26 9.414 -2.035 5.141 1.00 0.00 O ATOM 430 CB VAL A 26 11.962 -1.130 3.512 1.00 0.00 C ATOM 431 CG1 VAL A 26 11.566 -1.530 2.096 1.00 0.00 C ATOM 432 CG2 VAL A 26 11.211 0.116 3.955 1.00 0.00 C ATOM 0 H VAL A 26 12.795 -3.552 3.221 1.00 0.00 H new ATOM 0 HA VAL A 26 11.978 -1.958 5.507 1.00 0.00 H new ATOM 0 HB VAL A 26 13.028 -0.904 3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.750 -0.697 1.418 1.00 0.00 H new ATOM 0 HG12 VAL A 26 12.157 -2.390 1.782 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.508 -1.789 2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 26 11.396 0.923 3.246 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.143 -0.097 3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 26 11.556 0.416 4.945 1.00 0.00 H new ATOM 442 N LEU A 27 9.899 -3.689 3.697 1.00 0.00 N ATOM 443 CA LEU A 27 8.516 -4.140 3.585 1.00 0.00 C ATOM 444 C LEU A 27 7.964 -4.553 4.948 1.00 0.00 C ATOM 445 O LEU A 27 6.799 -4.308 5.257 1.00 0.00 O ATOM 446 CB LEU A 27 8.416 -5.306 2.596 1.00 0.00 C ATOM 447 CG LEU A 27 8.776 -6.683 3.160 1.00 0.00 C ATOM 448 CD1 LEU A 27 7.574 -7.311 3.849 1.00 0.00 C ATOM 449 CD2 LEU A 27 9.295 -7.591 2.054 1.00 0.00 C ATOM 0 H LEU A 27 10.564 -4.222 3.137 1.00 0.00 H new ATOM 0 HA LEU A 27 7.916 -3.309 3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.397 -5.346 2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.069 -5.098 1.749 1.00 0.00 H new ATOM 0 HG LEU A 27 9.566 -6.556 3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.850 -8.289 4.243 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.247 -6.669 4.667 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.762 -7.425 3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.546 -8.566 2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.526 -7.711 1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.185 -7.148 1.607 1.00 0.00 H new ATOM 461 N ASN A 28 8.810 -5.183 5.756 1.00 0.00 N ATOM 462 CA ASN A 28 8.407 -5.634 7.085 1.00 0.00 C ATOM 463 C ASN A 28 7.882 -4.472 7.927 1.00 0.00 C ATOM 464 O ASN A 28 7.100 -4.672 8.855 1.00 0.00 O ATOM 465 CB ASN A 28 9.586 -6.304 7.794 1.00 0.00 C ATOM 466 CG ASN A 28 9.199 -7.621 8.439 1.00 0.00 C ATOM 467 OD1 ASN A 28 8.202 -8.239 8.065 1.00 0.00 O ATOM 468 ND2 ASN A 28 9.987 -8.058 9.414 1.00 0.00 N ATOM 0 H ASN A 28 9.779 -5.393 5.515 1.00 0.00 H new ATOM 0 HA ASN A 28 7.601 -6.358 6.966 1.00 0.00 H new ATOM 0 HB2 ASN A 28 10.388 -6.476 7.076 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.979 -5.631 8.556 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.776 -8.938 9.885 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.804 -7.514 9.692 1.00 0.00 H new ATOM 475 N GLU A 29 8.320 -3.260 7.599 1.00 0.00 N ATOM 476 CA GLU A 29 7.892 -2.072 8.328 1.00 0.00 C ATOM 477 C GLU A 29 6.499 -1.631 7.892 1.00 0.00 C ATOM 478 O GLU A 29 5.653 -1.306 8.725 1.00 0.00 O ATOM 479 CB GLU A 29 8.890 -0.932 8.118 1.00 0.00 C ATOM 480 CG GLU A 29 9.992 -0.887 9.163 1.00 0.00 C ATOM 481 CD GLU A 29 9.535 -0.253 10.464 1.00 0.00 C ATOM 482 OE1 GLU A 29 8.322 -0.301 10.752 1.00 0.00 O ATOM 483 OE2 GLU A 29 10.392 0.288 11.194 1.00 0.00 O ATOM 0 H GLU A 29 8.970 -3.076 6.835 1.00 0.00 H new ATOM 0 HA GLU A 29 7.855 -2.324 9.388 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.341 -1.033 7.131 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.353 0.016 8.128 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.343 -1.900 9.360 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.840 -0.327 8.768 1.00 0.00 H new ATOM 490 N VAL A 30 6.267 -1.619 6.583 1.00 0.00 N ATOM 491 CA VAL A 30 4.974 -1.213 6.045 1.00 0.00 C ATOM 492 C VAL A 30 3.959 -2.350 6.123 1.00 0.00 C ATOM 493 O VAL A 30 2.840 -2.157 6.599 1.00 0.00 O ATOM 494 CB VAL A 30 5.093 -0.728 4.584 1.00 0.00 C ATOM 495 CG1 VAL A 30 5.600 -1.843 3.681 1.00 0.00 C ATOM 496 CG2 VAL A 30 3.758 -0.197 4.085 1.00 0.00 C ATOM 0 H VAL A 30 6.955 -1.885 5.878 1.00 0.00 H new ATOM 0 HA VAL A 30 4.625 -0.384 6.660 1.00 0.00 H new ATOM 0 HB VAL A 30 5.818 0.086 4.555 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.675 -1.476 2.657 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.582 -2.170 4.023 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.906 -2.683 3.716 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.863 0.140 3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.010 -0.989 4.134 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.443 0.639 4.709 1.00 0.00 H new ATOM 506 N ILE A 31 4.352 -3.537 5.664 1.00 0.00 N ATOM 507 CA ILE A 31 3.465 -4.695 5.702 1.00 0.00 C ATOM 508 C ILE A 31 2.946 -4.915 7.118 1.00 0.00 C ATOM 509 O ILE A 31 1.806 -5.331 7.319 1.00 0.00 O ATOM 510 CB ILE A 31 4.181 -5.972 5.197 1.00 0.00 C ATOM 511 CG1 ILE A 31 3.989 -6.125 3.686 1.00 0.00 C ATOM 512 CG2 ILE A 31 3.671 -7.213 5.923 1.00 0.00 C ATOM 513 CD1 ILE A 31 4.417 -4.909 2.892 1.00 0.00 C ATOM 0 H ILE A 31 5.272 -3.720 5.264 1.00 0.00 H new ATOM 0 HA ILE A 31 2.625 -4.493 5.038 1.00 0.00 H new ATOM 0 HB ILE A 31 5.245 -5.869 5.411 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.556 -6.990 3.342 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.938 -6.330 3.481 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.192 -8.094 5.548 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.856 -7.111 6.992 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.601 -7.322 5.749 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.252 -5.091 1.830 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.833 -4.045 3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.475 -4.715 3.066 1.00 0.00 H new ATOM 525 N LEU A 32 3.796 -4.619 8.095 1.00 0.00 N ATOM 526 CA LEU A 32 3.435 -4.768 9.499 1.00 0.00 C ATOM 527 C LEU A 32 2.124 -4.049 9.787 1.00 0.00 C ATOM 528 O LEU A 32 1.141 -4.667 10.189 1.00 0.00 O ATOM 529 CB LEU A 32 4.560 -4.216 10.383 1.00 0.00 C ATOM 530 CG LEU A 32 4.169 -3.873 11.822 1.00 0.00 C ATOM 531 CD1 LEU A 32 5.330 -4.139 12.768 1.00 0.00 C ATOM 532 CD2 LEU A 32 3.727 -2.421 11.910 1.00 0.00 C ATOM 0 H LEU A 32 4.743 -4.273 7.939 1.00 0.00 H new ATOM 0 HA LEU A 32 3.299 -5.826 9.723 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.367 -4.948 10.411 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.960 -3.318 9.911 1.00 0.00 H new ATOM 0 HG LEU A 32 3.336 -4.509 12.120 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.034 -3.889 13.787 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.606 -5.192 12.718 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.183 -3.526 12.478 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.451 -2.186 12.938 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.545 -1.772 11.597 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.868 -2.262 11.258 1.00 0.00 H new ATOM 544 N THR A 33 2.125 -2.739 9.577 1.00 0.00 N ATOM 545 CA THR A 33 0.942 -1.922 9.813 1.00 0.00 C ATOM 546 C THR A 33 -0.272 -2.458 9.053 1.00 0.00 C ATOM 547 O THR A 33 -1.411 -2.244 9.466 1.00 0.00 O ATOM 548 CB THR A 33 1.223 -0.472 9.408 1.00 0.00 C ATOM 549 OG1 THR A 33 2.188 0.109 10.268 1.00 0.00 O ATOM 550 CG2 THR A 33 -0.006 0.415 9.436 1.00 0.00 C ATOM 0 H THR A 33 2.935 -2.218 9.242 1.00 0.00 H new ATOM 0 HA THR A 33 0.710 -1.963 10.877 1.00 0.00 H new ATOM 0 HB THR A 33 1.585 -0.528 8.381 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.773 0.829 10.786 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.269 1.427 9.138 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.753 0.024 8.746 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.419 0.433 10.445 1.00 0.00 H new ATOM 558 N LEU A 34 -0.027 -3.147 7.943 1.00 0.00 N ATOM 559 CA LEU A 34 -1.112 -3.700 7.137 1.00 0.00 C ATOM 560 C LEU A 34 -1.792 -4.863 7.853 1.00 0.00 C ATOM 561 O LEU A 34 -3.018 -4.907 7.959 1.00 0.00 O ATOM 562 CB LEU A 34 -0.583 -4.162 5.776 1.00 0.00 C ATOM 563 CG LEU A 34 0.170 -3.099 4.973 1.00 0.00 C ATOM 564 CD1 LEU A 34 0.458 -3.602 3.567 1.00 0.00 C ATOM 565 CD2 LEU A 34 -0.622 -1.801 4.923 1.00 0.00 C ATOM 0 H LEU A 34 0.908 -3.336 7.582 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.850 -2.913 6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.080 -5.013 5.932 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.423 -4.517 5.179 1.00 0.00 H new ATOM 0 HG LEU A 34 1.119 -2.901 5.472 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.994 -2.834 3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.068 -4.504 3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.481 -3.829 3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.069 -1.059 4.347 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.587 -1.982 4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.779 -1.431 5.936 1.00 0.00 H new ATOM 577 N ARG A 35 -0.990 -5.803 8.341 1.00 0.00 N ATOM 578 CA ARG A 35 -1.516 -6.970 9.044 1.00 0.00 C ATOM 579 C ARG A 35 -1.925 -6.606 10.468 1.00 0.00 C ATOM 580 O ARG A 35 -3.066 -6.824 10.875 1.00 0.00 O ATOM 581 CB ARG A 35 -0.472 -8.087 9.070 1.00 0.00 C ATOM 582 CG ARG A 35 0.283 -8.248 7.759 1.00 0.00 C ATOM 583 CD ARG A 35 0.964 -9.606 7.671 1.00 0.00 C ATOM 584 NE ARG A 35 2.395 -9.522 7.948 1.00 0.00 N ATOM 585 CZ ARG A 35 3.166 -10.579 8.185 1.00 0.00 C ATOM 586 NH1 ARG A 35 2.649 -11.801 8.182 1.00 0.00 N ATOM 587 NH2 ARG A 35 4.461 -10.416 8.426 1.00 0.00 N ATOM 0 H ARG A 35 0.027 -5.781 8.263 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.399 -7.320 8.509 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.242 -7.886 9.868 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.965 -9.028 9.313 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.407 -8.131 6.924 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.029 -7.459 7.668 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.498 -10.291 8.379 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.812 -10.024 6.676 1.00 0.00 H new ATOM 0 HE ARG A 35 2.828 -8.599 7.960 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.655 -11.934 7.997 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.246 -12.608 8.365 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.865 -9.480 8.429 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.052 -11.227 8.608 1.00 0.00 H new ATOM 601 N LYS A 36 -0.981 -6.054 11.219 1.00 0.00 N ATOM 602 CA LYS A 36 -1.226 -5.654 12.602 1.00 0.00 C ATOM 603 C LYS A 36 -2.267 -4.538 12.689 1.00 0.00 C ATOM 604 O LYS A 36 -2.817 -4.278 13.757 1.00 0.00 O ATOM 605 CB LYS A 36 0.075 -5.195 13.240 1.00 0.00 C ATOM 606 CG LYS A 36 0.577 -3.873 12.689 1.00 0.00 C ATOM 607 CD LYS A 36 0.342 -2.740 13.670 1.00 0.00 C ATOM 608 CE LYS A 36 1.658 -2.173 14.182 1.00 0.00 C ATOM 609 NZ LYS A 36 1.611 -1.883 15.642 1.00 0.00 N ATOM 0 H LYS A 36 -0.032 -5.871 10.893 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.617 -6.519 13.138 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.069 -5.101 14.316 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.837 -5.959 13.085 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.642 -3.950 12.468 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.071 -3.653 11.749 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.233 -1.951 13.187 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.253 -3.100 14.509 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.461 -2.881 13.979 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.895 -1.258 13.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.527 -1.499 15.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.862 -1.188 15.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.411 -2.760 16.164 1.00 0.00 H new ATOM 623 N LYS A 37 -2.515 -3.885 11.556 1.00 0.00 N ATOM 624 CA LYS A 37 -3.485 -2.792 11.460 1.00 0.00 C ATOM 625 C LYS A 37 -3.230 -1.698 12.493 1.00 0.00 C ATOM 626 O LYS A 37 -3.982 -1.545 13.456 1.00 0.00 O ATOM 627 CB LYS A 37 -4.919 -3.319 11.589 1.00 0.00 C ATOM 628 CG LYS A 37 -5.188 -4.079 12.878 1.00 0.00 C ATOM 629 CD LYS A 37 -6.675 -4.324 13.087 1.00 0.00 C ATOM 630 CE LYS A 37 -6.999 -5.811 13.113 1.00 0.00 C ATOM 631 NZ LYS A 37 -7.195 -6.313 14.500 1.00 0.00 N ATOM 0 H LYS A 37 -2.048 -4.098 10.674 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.359 -2.347 10.473 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.610 -2.479 11.524 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.132 -3.973 10.743 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.662 -5.033 12.854 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.790 -3.516 13.722 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.992 -3.865 14.024 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.240 -3.842 12.289 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.901 -5.996 12.529 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.191 -6.367 12.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.414 -7.329 14.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.326 -6.160 15.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.982 -5.801 14.946 1.00 0.00 H new ATOM 645 N GLU A 38 -2.178 -0.919 12.268 1.00 0.00 N ATOM 646 CA GLU A 38 -1.837 0.183 13.165 1.00 0.00 C ATOM 647 C GLU A 38 -2.648 1.429 12.801 1.00 0.00 C ATOM 648 O GLU A 38 -2.831 1.733 11.622 1.00 0.00 O ATOM 649 CB GLU A 38 -0.333 0.490 13.092 1.00 0.00 C ATOM 650 CG GLU A 38 0.047 1.877 13.595 1.00 0.00 C ATOM 651 CD GLU A 38 1.534 2.149 13.482 1.00 0.00 C ATOM 652 OE1 GLU A 38 1.998 2.466 12.367 1.00 0.00 O ATOM 653 OE2 GLU A 38 2.236 2.048 14.510 1.00 0.00 O ATOM 0 H GLU A 38 -1.547 -1.028 11.474 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.082 -0.112 14.186 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.207 -0.256 13.675 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.003 0.388 12.058 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.501 2.629 13.026 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.260 1.979 14.636 1.00 0.00 H new ATOM 660 N PRO A 39 -3.146 2.170 13.808 1.00 0.00 N ATOM 661 CA PRO A 39 -3.935 3.384 13.576 1.00 0.00 C ATOM 662 C PRO A 39 -3.161 4.425 12.771 1.00 0.00 C ATOM 663 O PRO A 39 -2.262 5.084 13.292 1.00 0.00 O ATOM 664 CB PRO A 39 -4.233 3.908 14.986 1.00 0.00 C ATOM 665 CG PRO A 39 -3.249 3.225 15.875 1.00 0.00 C ATOM 666 CD PRO A 39 -2.980 1.891 15.244 1.00 0.00 C ATOM 0 HA PRO A 39 -4.834 3.177 12.995 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.122 4.991 15.035 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -5.257 3.679 15.283 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.332 3.808 15.962 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.649 3.107 16.882 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.977 1.530 15.473 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.679 1.131 15.592 1.00 0.00 H new ATOM 674 N LEU A 40 -3.516 4.562 11.497 1.00 0.00 N ATOM 675 CA LEU A 40 -2.853 5.518 10.617 1.00 0.00 C ATOM 676 C LEU A 40 -3.053 6.947 11.112 1.00 0.00 C ATOM 677 O LEU A 40 -3.722 7.179 12.118 1.00 0.00 O ATOM 678 CB LEU A 40 -3.386 5.383 9.189 1.00 0.00 C ATOM 679 CG LEU A 40 -3.218 3.998 8.564 1.00 0.00 C ATOM 680 CD1 LEU A 40 -4.030 3.887 7.284 1.00 0.00 C ATOM 681 CD2 LEU A 40 -1.748 3.711 8.291 1.00 0.00 C ATOM 0 H LEU A 40 -4.259 4.023 11.051 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.786 5.297 10.623 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.445 5.640 9.187 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.880 6.114 8.558 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.589 3.255 9.270 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.897 2.894 6.854 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.085 4.048 7.507 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.691 4.639 6.572 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.647 2.721 7.846 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.353 4.459 7.604 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.190 3.747 9.227 1.00 0.00 H new ATOM 693 N ASP A 41 -2.467 7.901 10.395 1.00 0.00 N ATOM 694 CA ASP A 41 -2.578 9.309 10.758 1.00 0.00 C ATOM 695 C ASP A 41 -2.752 10.177 9.514 1.00 0.00 C ATOM 696 O ASP A 41 -2.484 9.734 8.396 1.00 0.00 O ATOM 697 CB ASP A 41 -1.338 9.755 11.535 1.00 0.00 C ATOM 698 CG ASP A 41 -1.508 9.594 13.034 1.00 0.00 C ATOM 699 OD1 ASP A 41 -2.654 9.698 13.517 1.00 0.00 O ATOM 700 OD2 ASP A 41 -0.492 9.366 13.723 1.00 0.00 O ATOM 0 H ASP A 41 -1.910 7.724 9.559 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.458 9.429 11.391 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.477 9.174 11.205 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.125 10.799 11.306 1.00 0.00 H new ATOM 705 N PRO A 42 -3.202 11.431 9.690 1.00 0.00 N ATOM 706 CA PRO A 42 -3.410 12.360 8.574 1.00 0.00 C ATOM 707 C PRO A 42 -2.107 12.708 7.860 1.00 0.00 C ATOM 708 O PRO A 42 -2.105 13.021 6.670 1.00 0.00 O ATOM 709 CB PRO A 42 -4.002 13.605 9.242 1.00 0.00 C ATOM 710 CG PRO A 42 -3.594 13.507 10.671 1.00 0.00 C ATOM 711 CD PRO A 42 -3.546 12.040 10.986 1.00 0.00 C ATOM 0 HA PRO A 42 -4.052 11.930 7.805 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.620 14.518 8.784 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.087 13.628 9.142 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.622 13.973 10.832 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.306 14.022 11.316 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.799 11.816 11.748 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.503 11.677 11.361 1.00 0.00 H new ATOM 719 N GLN A 43 -1.002 12.651 8.595 1.00 0.00 N ATOM 720 CA GLN A 43 0.309 12.959 8.032 1.00 0.00 C ATOM 721 C GLN A 43 0.706 11.941 6.964 1.00 0.00 C ATOM 722 O GLN A 43 1.598 12.195 6.154 1.00 0.00 O ATOM 723 CB GLN A 43 1.368 12.994 9.136 1.00 0.00 C ATOM 724 CG GLN A 43 1.282 11.825 10.102 1.00 0.00 C ATOM 725 CD GLN A 43 2.636 11.216 10.406 1.00 0.00 C ATOM 726 OE1 GLN A 43 3.012 11.058 11.567 1.00 0.00 O ATOM 727 NE2 GLN A 43 3.377 10.871 9.360 1.00 0.00 N ATOM 0 H GLN A 43 -0.987 12.394 9.582 1.00 0.00 H new ATOM 0 HA GLN A 43 0.247 13.941 7.563 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.357 13.004 8.678 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.267 13.924 9.695 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.822 12.160 11.032 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.630 11.059 9.682 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.025 11.020 8.414 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.298 10.457 9.502 1.00 0.00 H new ATOM 736 N PHE A 44 0.042 10.787 6.966 1.00 0.00 N ATOM 737 CA PHE A 44 0.331 9.737 5.996 1.00 0.00 C ATOM 738 C PHE A 44 -0.109 10.139 4.588 1.00 0.00 C ATOM 739 O PHE A 44 0.226 9.468 3.611 1.00 0.00 O ATOM 740 CB PHE A 44 -0.362 8.434 6.403 1.00 0.00 C ATOM 741 CG PHE A 44 0.387 7.654 7.445 1.00 0.00 C ATOM 742 CD1 PHE A 44 0.927 8.290 8.551 1.00 0.00 C ATOM 743 CD2 PHE A 44 0.553 6.283 7.318 1.00 0.00 C ATOM 744 CE1 PHE A 44 1.618 7.575 9.511 1.00 0.00 C ATOM 745 CE2 PHE A 44 1.243 5.562 8.274 1.00 0.00 C ATOM 746 CZ PHE A 44 1.776 6.209 9.372 1.00 0.00 C ATOM 0 H PHE A 44 -0.699 10.557 7.628 1.00 0.00 H new ATOM 0 HA PHE A 44 1.410 9.585 5.984 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.358 8.665 6.780 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.493 7.810 5.519 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.807 9.357 8.664 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.138 5.773 6.462 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.034 8.083 10.369 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.365 4.495 8.163 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.315 5.648 10.121 1.00 0.00 H new ATOM 756 N GLN A 45 -0.862 11.234 4.486 1.00 0.00 N ATOM 757 CA GLN A 45 -1.342 11.714 3.194 1.00 0.00 C ATOM 758 C GLN A 45 -2.247 10.681 2.532 1.00 0.00 C ATOM 759 O GLN A 45 -2.227 10.512 1.313 1.00 0.00 O ATOM 760 CB GLN A 45 -0.163 12.041 2.274 1.00 0.00 C ATOM 761 CG GLN A 45 0.571 13.317 2.655 1.00 0.00 C ATOM 762 CD GLN A 45 2.077 13.139 2.681 1.00 0.00 C ATOM 763 OE1 GLN A 45 2.673 12.660 1.716 1.00 0.00 O ATOM 764 NE2 GLN A 45 2.699 13.524 3.789 1.00 0.00 N ATOM 0 H GLN A 45 -1.151 11.803 5.282 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.921 12.622 3.366 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.541 11.209 2.289 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.526 12.133 1.250 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.314 14.105 1.947 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.231 13.648 3.636 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.164 13.916 4.564 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.712 13.428 3.865 1.00 0.00 H new ATOM 773 N ASP A 46 -3.045 9.994 3.344 1.00 0.00 N ATOM 774 CA ASP A 46 -3.962 8.980 2.836 1.00 0.00 C ATOM 775 C ASP A 46 -5.172 9.626 2.171 1.00 0.00 C ATOM 776 O ASP A 46 -6.217 9.801 2.798 1.00 0.00 O ATOM 777 CB ASP A 46 -4.418 8.061 3.971 1.00 0.00 C ATOM 778 CG ASP A 46 -5.080 8.824 5.102 1.00 0.00 C ATOM 779 OD1 ASP A 46 -4.857 10.048 5.202 1.00 0.00 O ATOM 780 OD2 ASP A 46 -5.822 8.197 5.888 1.00 0.00 O ATOM 0 H ASP A 46 -3.075 10.121 4.356 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.433 8.388 2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.116 7.321 3.578 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.559 7.514 4.359 1.00 0.00 H new ATOM 785 N HIS A 47 -5.023 9.983 0.899 1.00 0.00 N ATOM 786 CA HIS A 47 -6.105 10.612 0.151 1.00 0.00 C ATOM 787 C HIS A 47 -6.159 10.088 -1.279 1.00 0.00 C ATOM 788 O HIS A 47 -5.384 9.211 -1.659 1.00 0.00 O ATOM 789 CB HIS A 47 -5.929 12.133 0.143 1.00 0.00 C ATOM 790 CG HIS A 47 -6.491 12.806 1.356 1.00 0.00 C ATOM 791 ND1 HIS A 47 -7.844 12.931 1.588 1.00 0.00 N ATOM 792 CD2 HIS A 47 -5.874 13.393 2.409 1.00 0.00 C ATOM 793 CE1 HIS A 47 -8.036 13.567 2.730 1.00 0.00 C ATOM 794 NE2 HIS A 47 -6.858 13.857 3.248 1.00 0.00 N ATOM 0 H HIS A 47 -4.164 9.847 0.366 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.045 10.363 0.644 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.867 12.367 0.066 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -6.411 12.542 -0.745 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.808 13.480 2.561 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -8.994 13.808 3.165 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -6.703 14.347 4.129 1.00 0.00 H new ATOM 803 N ALA A 48 -7.080 10.631 -2.068 1.00 0.00 N ATOM 804 CA ALA A 48 -7.236 10.217 -3.457 1.00 0.00 C ATOM 805 C ALA A 48 -6.133 10.800 -4.332 1.00 0.00 C ATOM 806 O ALA A 48 -5.522 11.811 -3.986 1.00 0.00 O ATOM 807 CB ALA A 48 -8.603 10.634 -3.981 1.00 0.00 C ATOM 0 H ALA A 48 -7.729 11.359 -1.769 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.158 9.130 -3.497 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.706 10.319 -5.019 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.382 10.165 -3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.701 11.718 -3.919 1.00 0.00 H new ATOM 813 N LEU A 49 -5.881 10.156 -5.466 1.00 0.00 N ATOM 814 CA LEU A 49 -4.850 10.611 -6.392 1.00 0.00 C ATOM 815 C LEU A 49 -5.472 11.274 -7.616 1.00 0.00 C ATOM 816 O LEU A 49 -6.692 11.399 -7.713 1.00 0.00 O ATOM 817 CB LEU A 49 -3.970 9.435 -6.825 1.00 0.00 C ATOM 818 CG LEU A 49 -2.989 8.935 -5.763 1.00 0.00 C ATOM 819 CD1 LEU A 49 -2.440 7.570 -6.144 1.00 0.00 C ATOM 820 CD2 LEU A 49 -1.857 9.933 -5.573 1.00 0.00 C ATOM 0 H LEU A 49 -6.377 9.317 -5.767 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.233 11.348 -5.877 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.615 8.608 -7.120 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.405 9.730 -7.709 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.524 8.837 -4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.744 7.231 -5.377 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.261 6.858 -6.229 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.920 7.641 -7.100 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.168 9.562 -4.814 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.324 10.062 -6.515 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.267 10.891 -5.254 1.00 0.00 H new ATOM 832 N LYS A 50 -4.625 11.699 -8.548 1.00 0.00 N ATOM 833 CA LYS A 50 -5.092 12.352 -9.765 1.00 0.00 C ATOM 834 C LYS A 50 -4.702 11.546 -10.999 1.00 0.00 C ATOM 835 O LYS A 50 -3.999 10.540 -10.899 1.00 0.00 O ATOM 836 CB LYS A 50 -4.517 13.767 -9.863 1.00 0.00 C ATOM 837 CG LYS A 50 -4.873 14.651 -8.679 1.00 0.00 C ATOM 838 CD LYS A 50 -6.242 15.289 -8.850 1.00 0.00 C ATOM 839 CE LYS A 50 -6.484 16.375 -7.814 1.00 0.00 C ATOM 840 NZ LYS A 50 -6.537 15.823 -6.432 1.00 0.00 N ATOM 0 H LYS A 50 -3.612 11.603 -8.483 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.179 12.411 -9.721 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.432 13.704 -9.946 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.880 14.235 -10.778 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.859 14.058 -7.764 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.119 15.430 -8.566 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.324 15.714 -9.850 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.014 14.524 -8.764 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.691 17.120 -7.877 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.420 16.887 -8.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.720 16.593 -5.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.299 15.118 -6.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.628 15.372 -6.203 1.00 0.00 H new ATOM 854 N GLY A 51 -5.162 11.995 -12.162 1.00 0.00 N ATOM 855 CA GLY A 51 -4.851 11.302 -13.399 1.00 0.00 C ATOM 856 C GLY A 51 -5.587 9.982 -13.527 1.00 0.00 C ATOM 857 O GLY A 51 -6.769 9.889 -13.199 1.00 0.00 O ATOM 0 H GLY A 51 -5.744 12.826 -12.270 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.108 11.941 -14.244 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.777 11.122 -13.451 1.00 0.00 H new ATOM 861 N LYS A 52 -4.885 8.961 -14.005 1.00 0.00 N ATOM 862 CA LYS A 52 -5.477 7.639 -14.176 1.00 0.00 C ATOM 863 C LYS A 52 -5.929 7.064 -12.835 1.00 0.00 C ATOM 864 O LYS A 52 -6.863 6.264 -12.777 1.00 0.00 O ATOM 865 CB LYS A 52 -4.478 6.690 -14.839 1.00 0.00 C ATOM 866 CG LYS A 52 -5.112 5.420 -15.383 1.00 0.00 C ATOM 867 CD LYS A 52 -5.272 5.478 -16.893 1.00 0.00 C ATOM 868 CE LYS A 52 -3.970 5.144 -17.605 1.00 0.00 C ATOM 869 NZ LYS A 52 -3.771 5.982 -18.820 1.00 0.00 N ATOM 0 H LYS A 52 -3.905 9.023 -14.281 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.351 7.743 -14.819 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.978 7.214 -15.654 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.710 6.421 -14.114 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.497 4.561 -15.114 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.087 5.271 -14.919 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.048 4.779 -17.205 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.603 6.474 -17.187 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.134 5.292 -16.921 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.970 4.091 -17.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.873 5.724 -19.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.555 5.822 -19.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.746 6.986 -18.549 1.00 0.00 H new ATOM 883 N TRP A 53 -5.259 7.475 -11.763 1.00 0.00 N ATOM 884 CA TRP A 53 -5.592 6.997 -10.425 1.00 0.00 C ATOM 885 C TRP A 53 -6.492 7.996 -9.703 1.00 0.00 C ATOM 886 O TRP A 53 -6.342 8.229 -8.502 1.00 0.00 O ATOM 887 CB TRP A 53 -4.317 6.761 -9.612 1.00 0.00 C ATOM 888 CG TRP A 53 -3.239 6.064 -10.386 1.00 0.00 C ATOM 889 CD1 TRP A 53 -1.918 6.403 -10.441 1.00 0.00 C ATOM 890 CD2 TRP A 53 -3.391 4.907 -11.217 1.00 0.00 C ATOM 891 NE1 TRP A 53 -1.239 5.530 -11.255 1.00 0.00 N ATOM 892 CE2 TRP A 53 -2.121 4.601 -11.744 1.00 0.00 C ATOM 893 CE3 TRP A 53 -4.476 4.098 -11.567 1.00 0.00 C ATOM 894 CZ2 TRP A 53 -1.909 3.524 -12.600 1.00 0.00 C ATOM 895 CZ3 TRP A 53 -4.265 3.030 -12.417 1.00 0.00 C ATOM 896 CH2 TRP A 53 -2.991 2.751 -12.925 1.00 0.00 C ATOM 0 H TRP A 53 -4.483 8.137 -11.794 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.129 6.054 -10.525 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.938 7.720 -9.258 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.562 6.169 -8.730 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.471 7.237 -9.920 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -0.241 5.567 -11.462 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.463 4.305 -11.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -0.927 3.306 -12.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.097 2.400 -12.694 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -2.859 1.908 -13.587 1.00 0.00 H new ATOM 907 N LYS A 54 -7.428 8.583 -10.441 1.00 0.00 N ATOM 908 CA LYS A 54 -8.354 9.555 -9.876 1.00 0.00 C ATOM 909 C LYS A 54 -9.341 8.890 -8.918 1.00 0.00 C ATOM 910 O LYS A 54 -9.510 9.338 -7.783 1.00 0.00 O ATOM 911 CB LYS A 54 -9.114 10.278 -10.990 1.00 0.00 C ATOM 912 CG LYS A 54 -9.266 11.771 -10.752 1.00 0.00 C ATOM 913 CD LYS A 54 -10.404 12.068 -9.788 1.00 0.00 C ATOM 914 CE LYS A 54 -10.781 13.540 -9.807 1.00 0.00 C ATOM 915 NZ LYS A 54 -11.227 13.982 -11.158 1.00 0.00 N ATOM 0 H LYS A 54 -7.565 8.401 -11.435 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.769 10.282 -9.312 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.594 10.120 -11.935 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.103 9.832 -11.092 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.335 12.174 -10.353 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.450 12.275 -11.701 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.273 11.465 -10.053 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.112 11.779 -8.778 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.577 13.720 -9.085 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.925 14.138 -9.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.811 14.838 -11.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.396 14.190 -11.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.786 13.227 -11.603 1.00 0.00 H new ATOM 929 N PRO A 55 -10.012 7.811 -9.360 1.00 0.00 N ATOM 930 CA PRO A 55 -10.985 7.097 -8.531 1.00 0.00 C ATOM 931 C PRO A 55 -10.328 6.165 -7.513 1.00 0.00 C ATOM 932 O PRO A 55 -11.013 5.409 -6.824 1.00 0.00 O ATOM 933 CB PRO A 55 -11.781 6.292 -9.555 1.00 0.00 C ATOM 934 CG PRO A 55 -10.813 6.022 -10.655 1.00 0.00 C ATOM 935 CD PRO A 55 -9.881 7.207 -10.702 1.00 0.00 C ATOM 0 HA PRO A 55 -11.587 7.779 -7.931 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.159 5.365 -9.123 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.644 6.852 -9.915 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.261 5.101 -10.469 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -11.331 5.897 -11.606 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.855 6.901 -10.905 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.165 7.909 -11.486 1.00 0.00 H new ATOM 943 N PHE A 56 -9.002 6.223 -7.417 1.00 0.00 N ATOM 944 CA PHE A 56 -8.270 5.380 -6.478 1.00 0.00 C ATOM 945 C PHE A 56 -7.784 6.193 -5.283 1.00 0.00 C ATOM 946 O PHE A 56 -7.917 7.417 -5.256 1.00 0.00 O ATOM 947 CB PHE A 56 -7.082 4.715 -7.175 1.00 0.00 C ATOM 948 CG PHE A 56 -7.478 3.852 -8.339 1.00 0.00 C ATOM 949 CD1 PHE A 56 -7.833 4.421 -9.551 1.00 0.00 C ATOM 950 CD2 PHE A 56 -7.495 2.471 -8.219 1.00 0.00 C ATOM 951 CE1 PHE A 56 -8.198 3.631 -10.623 1.00 0.00 C ATOM 952 CE2 PHE A 56 -7.860 1.675 -9.289 1.00 0.00 C ATOM 953 CZ PHE A 56 -8.212 2.254 -10.492 1.00 0.00 C ATOM 0 H PHE A 56 -8.415 6.843 -7.976 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.949 4.607 -6.117 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.396 5.487 -7.522 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.539 4.108 -6.451 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.824 5.496 -9.659 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.220 2.012 -7.281 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.472 4.088 -11.563 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.870 0.600 -9.184 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.498 1.633 -11.329 1.00 0.00 H new ATOM 963 N ARG A 57 -7.222 5.504 -4.295 1.00 0.00 N ATOM 964 CA ARG A 57 -6.716 6.161 -3.095 1.00 0.00 C ATOM 965 C ARG A 57 -5.309 5.679 -2.761 1.00 0.00 C ATOM 966 O ARG A 57 -4.987 4.504 -2.936 1.00 0.00 O ATOM 967 CB ARG A 57 -7.652 5.902 -1.914 1.00 0.00 C ATOM 968 CG ARG A 57 -7.428 6.844 -0.743 1.00 0.00 C ATOM 969 CD ARG A 57 -8.447 6.614 0.360 1.00 0.00 C ATOM 970 NE ARG A 57 -9.637 7.443 0.188 1.00 0.00 N ATOM 971 CZ ARG A 57 -10.722 7.352 0.953 1.00 0.00 C ATOM 972 NH1 ARG A 57 -10.772 6.468 1.943 1.00 0.00 N ATOM 973 NH2 ARG A 57 -11.760 8.145 0.728 1.00 0.00 N ATOM 0 H ARG A 57 -7.105 4.491 -4.302 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.675 7.233 -3.288 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.684 5.995 -2.252 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.519 4.875 -1.574 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.423 6.701 -0.347 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.490 7.876 -1.088 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.736 5.563 0.373 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.991 6.831 1.326 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.636 8.133 -0.563 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.976 5.855 2.120 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.606 6.402 2.526 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.727 8.825 -0.032 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.592 8.075 1.314 1.00 0.00 H new ATOM 987 N GLU A 58 -4.473 6.593 -2.279 1.00 0.00 N ATOM 988 CA GLU A 58 -3.098 6.260 -1.922 1.00 0.00 C ATOM 989 C GLU A 58 -2.896 6.320 -0.411 1.00 0.00 C ATOM 990 O GLU A 58 -3.775 6.765 0.327 1.00 0.00 O ATOM 991 CB GLU A 58 -2.123 7.210 -2.618 1.00 0.00 C ATOM 992 CG GLU A 58 -0.893 6.515 -3.179 1.00 0.00 C ATOM 993 CD GLU A 58 0.312 7.432 -3.251 1.00 0.00 C ATOM 994 OE1 GLU A 58 0.776 7.888 -2.185 1.00 0.00 O ATOM 995 OE2 GLU A 58 0.793 7.694 -4.374 1.00 0.00 O ATOM 0 H GLU A 58 -4.723 7.570 -2.127 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.901 5.241 -2.255 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.643 7.721 -3.428 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.806 7.975 -1.910 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.652 5.653 -2.557 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.117 6.136 -4.176 1.00 0.00 H new ATOM 1002 N CYS A 59 -1.729 5.869 0.040 1.00 0.00 N ATOM 1003 CA CYS A 59 -1.404 5.871 1.461 1.00 0.00 C ATOM 1004 C CYS A 59 0.103 5.764 1.670 1.00 0.00 C ATOM 1005 O CYS A 59 0.726 4.780 1.271 1.00 0.00 O ATOM 1006 CB CYS A 59 -2.112 4.715 2.169 1.00 0.00 C ATOM 1007 SG CYS A 59 -2.206 4.896 3.965 1.00 0.00 S ATOM 0 H CYS A 59 -0.992 5.497 -0.560 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.748 6.813 1.888 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.122 4.623 1.770 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.591 3.786 1.935 1.00 0.00 H new ATOM 0 HG CYS A 59 -2.824 3.871 4.473 1.00 0.00 H new ATOM 1013 N HIS A 60 0.683 6.783 2.294 1.00 0.00 N ATOM 1014 CA HIS A 60 2.118 6.803 2.552 1.00 0.00 C ATOM 1015 C HIS A 60 2.430 6.266 3.946 1.00 0.00 C ATOM 1016 O HIS A 60 2.680 7.034 4.875 1.00 0.00 O ATOM 1017 CB HIS A 60 2.666 8.225 2.409 1.00 0.00 C ATOM 1018 CG HIS A 60 2.220 8.918 1.158 1.00 0.00 C ATOM 1019 ND1 HIS A 60 3.099 9.467 0.248 1.00 0.00 N ATOM 1020 CD2 HIS A 60 0.979 9.151 0.667 1.00 0.00 C ATOM 1021 CE1 HIS A 60 2.419 10.011 -0.746 1.00 0.00 C ATOM 1022 NE2 HIS A 60 1.131 9.831 -0.516 1.00 0.00 N ATOM 0 H HIS A 60 0.182 7.605 2.630 1.00 0.00 H new ATOM 0 HA HIS A 60 2.600 6.159 1.817 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.354 8.814 3.271 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.755 8.189 2.425 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.044 8.857 1.121 1.00 0.00 H new ATOM 0 HE1 HIS A 60 2.844 10.516 -1.601 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.372 10.146 -1.120 1.00 0.00 H new ATOM 1031 N ILE A 61 2.416 4.943 4.084 1.00 0.00 N ATOM 1032 CA ILE A 61 2.703 4.306 5.365 1.00 0.00 C ATOM 1033 C ILE A 61 4.075 4.721 5.889 1.00 0.00 C ATOM 1034 O ILE A 61 4.314 4.726 7.097 1.00 0.00 O ATOM 1035 CB ILE A 61 2.642 2.767 5.257 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.257 2.322 4.781 1.00 0.00 C ATOM 1037 CG2 ILE A 61 2.979 2.120 6.594 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.217 1.924 3.322 1.00 0.00 C ATOM 0 H ILE A 61 2.209 4.293 3.326 1.00 0.00 H new ATOM 0 HA ILE A 61 1.936 4.639 6.064 1.00 0.00 H new ATOM 0 HB ILE A 61 3.382 2.444 4.525 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.927 1.479 5.388 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.547 3.132 4.948 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.930 1.036 6.496 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.985 2.412 6.896 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.264 2.449 7.348 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.205 1.620 3.055 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.516 2.772 2.705 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.902 1.093 3.153 1.00 0.00 H new ATOM 1050 N LYS A 62 4.973 5.068 4.973 1.00 0.00 N ATOM 1051 CA LYS A 62 6.322 5.485 5.342 1.00 0.00 C ATOM 1052 C LYS A 62 6.776 6.663 4.485 1.00 0.00 C ATOM 1053 O LYS A 62 6.127 7.010 3.497 1.00 0.00 O ATOM 1054 CB LYS A 62 7.297 4.315 5.185 1.00 0.00 C ATOM 1055 CG LYS A 62 6.809 3.028 5.834 1.00 0.00 C ATOM 1056 CD LYS A 62 7.921 2.335 6.603 1.00 0.00 C ATOM 1057 CE LYS A 62 8.912 1.660 5.667 1.00 0.00 C ATOM 1058 NZ LYS A 62 8.383 0.374 5.129 1.00 0.00 N ATOM 0 H LYS A 62 4.791 5.069 3.969 1.00 0.00 H new ATOM 0 HA LYS A 62 6.311 5.801 6.385 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.469 4.135 4.124 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.257 4.591 5.621 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.983 3.250 6.509 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.422 2.357 5.067 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.444 3.063 7.224 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.491 1.593 7.276 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.145 2.331 4.840 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.845 1.474 6.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.064 -0.389 5.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.477 0.152 5.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.239 0.460 4.103 1.00 0.00 H new ATOM 1072 N PRO A 63 7.903 7.301 4.850 1.00 0.00 N ATOM 1073 CA PRO A 63 8.441 8.449 4.111 1.00 0.00 C ATOM 1074 C PRO A 63 8.984 8.068 2.736 1.00 0.00 C ATOM 1075 O PRO A 63 9.411 8.930 1.968 1.00 0.00 O ATOM 1076 CB PRO A 63 9.577 8.970 5.007 1.00 0.00 C ATOM 1077 CG PRO A 63 9.409 8.272 6.318 1.00 0.00 C ATOM 1078 CD PRO A 63 8.738 6.966 6.011 1.00 0.00 C ATOM 0 HA PRO A 63 7.665 9.188 3.913 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.552 8.753 4.570 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.516 10.051 5.128 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.373 8.111 6.800 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.806 8.868 7.003 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.461 6.184 5.779 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.141 6.610 6.850 1.00 0.00 H new ATOM 1086 N ASP A 64 8.961 6.778 2.432 1.00 0.00 N ATOM 1087 CA ASP A 64 9.448 6.284 1.150 1.00 0.00 C ATOM 1088 C ASP A 64 8.563 5.157 0.629 1.00 0.00 C ATOM 1089 O ASP A 64 9.012 4.305 -0.138 1.00 0.00 O ATOM 1090 CB ASP A 64 10.891 5.795 1.281 1.00 0.00 C ATOM 1091 CG ASP A 64 11.856 6.916 1.615 1.00 0.00 C ATOM 1092 OD1 ASP A 64 11.728 7.500 2.713 1.00 0.00 O ATOM 1093 OD2 ASP A 64 12.737 7.209 0.782 1.00 0.00 O ATOM 0 H ASP A 64 8.610 6.052 3.057 1.00 0.00 H new ATOM 0 HA ASP A 64 9.415 7.108 0.437 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.943 5.032 2.057 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.197 5.322 0.348 1.00 0.00 H new ATOM 1098 N VAL A 65 7.300 5.158 1.049 1.00 0.00 N ATOM 1099 CA VAL A 65 6.352 4.136 0.624 1.00 0.00 C ATOM 1100 C VAL A 65 5.003 4.750 0.269 1.00 0.00 C ATOM 1101 O VAL A 65 4.586 5.744 0.864 1.00 0.00 O ATOM 1102 CB VAL A 65 6.145 3.068 1.717 1.00 0.00 C ATOM 1103 CG1 VAL A 65 5.189 1.984 1.240 1.00 0.00 C ATOM 1104 CG2 VAL A 65 7.478 2.464 2.129 1.00 0.00 C ATOM 0 H VAL A 65 6.911 5.856 1.683 1.00 0.00 H new ATOM 0 HA VAL A 65 6.777 3.662 -0.261 1.00 0.00 H new ATOM 0 HB VAL A 65 5.701 3.551 2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.058 1.242 2.028 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.224 2.430 0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.599 1.503 0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.314 1.712 2.901 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.949 1.998 1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.128 3.248 2.518 1.00 0.00 H new ATOM 1114 N LEU A 66 4.327 4.149 -0.703 1.00 0.00 N ATOM 1115 CA LEU A 66 3.021 4.631 -1.140 1.00 0.00 C ATOM 1116 C LEU A 66 2.117 3.463 -1.523 1.00 0.00 C ATOM 1117 O LEU A 66 2.201 2.940 -2.635 1.00 0.00 O ATOM 1118 CB LEU A 66 3.170 5.589 -2.325 1.00 0.00 C ATOM 1119 CG LEU A 66 4.464 6.407 -2.351 1.00 0.00 C ATOM 1120 CD1 LEU A 66 4.659 7.052 -3.713 1.00 0.00 C ATOM 1121 CD2 LEU A 66 4.452 7.464 -1.256 1.00 0.00 C ATOM 0 H LEU A 66 4.662 3.326 -1.204 1.00 0.00 H new ATOM 0 HA LEU A 66 2.563 5.169 -0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.107 5.011 -3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.325 6.278 -2.322 1.00 0.00 H new ATOM 0 HG LEU A 66 5.300 5.732 -2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.584 7.629 -3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.715 6.277 -4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.819 7.713 -3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.380 8.035 -1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.607 8.136 -1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.360 6.980 -0.284 1.00 0.00 H new ATOM 1133 N LEU A 67 1.254 3.060 -0.597 1.00 0.00 N ATOM 1134 CA LEU A 67 0.336 1.952 -0.836 1.00 0.00 C ATOM 1135 C LEU A 67 -1.014 2.459 -1.336 1.00 0.00 C ATOM 1136 O LEU A 67 -1.629 3.328 -0.721 1.00 0.00 O ATOM 1137 CB LEU A 67 0.151 1.137 0.450 1.00 0.00 C ATOM 1138 CG LEU A 67 -1.007 0.131 0.441 1.00 0.00 C ATOM 1139 CD1 LEU A 67 -1.069 -0.617 -0.883 1.00 0.00 C ATOM 1140 CD2 LEU A 67 -0.869 -0.845 1.599 1.00 0.00 C ATOM 0 H LEU A 67 1.171 3.484 0.327 1.00 0.00 H new ATOM 0 HA LEU A 67 0.765 1.312 -1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.076 0.596 0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.000 1.829 1.278 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.939 0.684 0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.899 -1.324 -0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.217 0.094 -1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.135 -1.157 -1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.698 -1.553 1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.073 -1.387 1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.883 -0.296 2.541 1.00 0.00 H new ATOM 1152 N VAL A 68 -1.469 1.902 -2.454 1.00 0.00 N ATOM 1153 CA VAL A 68 -2.747 2.290 -3.038 1.00 0.00 C ATOM 1154 C VAL A 68 -3.803 1.218 -2.787 1.00 0.00 C ATOM 1155 O VAL A 68 -3.537 0.025 -2.932 1.00 0.00 O ATOM 1156 CB VAL A 68 -2.621 2.532 -4.555 1.00 0.00 C ATOM 1157 CG1 VAL A 68 -3.941 3.015 -5.136 1.00 0.00 C ATOM 1158 CG2 VAL A 68 -1.510 3.528 -4.842 1.00 0.00 C ATOM 0 H VAL A 68 -0.971 1.180 -2.974 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.052 3.220 -2.558 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.368 1.586 -5.034 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.828 3.179 -6.208 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.711 2.264 -4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.231 3.949 -4.654 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.434 3.688 -5.917 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.733 4.474 -4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.565 3.137 -4.465 1.00 0.00 H new ATOM 1168 N TYR A 69 -4.999 1.652 -2.410 1.00 0.00 N ATOM 1169 CA TYR A 69 -6.094 0.728 -2.140 1.00 0.00 C ATOM 1170 C TYR A 69 -7.438 1.352 -2.498 1.00 0.00 C ATOM 1171 O TYR A 69 -7.590 2.573 -2.487 1.00 0.00 O ATOM 1172 CB TYR A 69 -6.084 0.316 -0.667 1.00 0.00 C ATOM 1173 CG TYR A 69 -5.931 1.478 0.288 1.00 0.00 C ATOM 1174 CD1 TYR A 69 -6.902 2.469 0.370 1.00 0.00 C ATOM 1175 CD2 TYR A 69 -4.814 1.586 1.107 1.00 0.00 C ATOM 1176 CE1 TYR A 69 -6.766 3.533 1.241 1.00 0.00 C ATOM 1177 CE2 TYR A 69 -4.669 2.647 1.980 1.00 0.00 C ATOM 1178 CZ TYR A 69 -5.647 3.618 2.043 1.00 0.00 C ATOM 1179 OH TYR A 69 -5.507 4.674 2.913 1.00 0.00 O ATOM 0 H TYR A 69 -5.236 2.636 -2.284 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.952 -0.157 -2.761 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.011 -0.210 -0.440 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -5.269 -0.389 -0.501 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.778 2.406 -0.258 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -4.046 0.828 1.060 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -7.531 4.293 1.294 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -3.794 2.716 2.610 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.594 4.685 3.270 1.00 0.00 H new ATOM 1189 N LEU A 70 -8.411 0.505 -2.818 1.00 0.00 N ATOM 1190 CA LEU A 70 -9.743 0.972 -3.180 1.00 0.00 C ATOM 1191 C LEU A 70 -10.697 0.868 -1.994 1.00 0.00 C ATOM 1192 O LEU A 70 -10.346 0.323 -0.949 1.00 0.00 O ATOM 1193 CB LEU A 70 -10.286 0.162 -4.361 1.00 0.00 C ATOM 1194 CG LEU A 70 -11.003 0.984 -5.433 1.00 0.00 C ATOM 1195 CD1 LEU A 70 -10.021 1.897 -6.150 1.00 0.00 C ATOM 1196 CD2 LEU A 70 -11.705 0.068 -6.425 1.00 0.00 C ATOM 0 H LEU A 70 -8.301 -0.509 -2.834 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.668 2.020 -3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.458 -0.372 -4.827 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.976 -0.591 -3.979 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.755 1.605 -4.946 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.549 2.474 -6.909 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.564 2.576 -5.430 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.246 1.296 -6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.210 0.669 -7.181 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.971 -0.578 -6.906 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.438 -0.544 -5.899 1.00 0.00 H new ATOM 1208 N VAL A 71 -11.905 1.398 -2.165 1.00 0.00 N ATOM 1209 CA VAL A 71 -12.909 1.365 -1.108 1.00 0.00 C ATOM 1210 C VAL A 71 -14.193 0.695 -1.588 1.00 0.00 C ATOM 1211 O VAL A 71 -14.986 1.297 -2.310 1.00 0.00 O ATOM 1212 CB VAL A 71 -13.240 2.783 -0.606 1.00 0.00 C ATOM 1213 CG1 VAL A 71 -14.134 2.719 0.624 1.00 0.00 C ATOM 1214 CG2 VAL A 71 -11.965 3.555 -0.307 1.00 0.00 C ATOM 0 H VAL A 71 -12.211 1.855 -3.024 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.486 0.785 -0.288 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.780 3.310 -1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.357 3.730 0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -15.063 2.207 0.372 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.623 2.174 1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -12.219 4.554 0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.395 3.032 0.461 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.365 3.632 -1.214 1.00 0.00 H new ATOM 1224 N LYS A 72 -14.389 -0.554 -1.178 1.00 0.00 N ATOM 1225 CA LYS A 72 -15.576 -1.308 -1.564 1.00 0.00 C ATOM 1226 C LYS A 72 -16.805 -0.803 -0.814 1.00 0.00 C ATOM 1227 O LYS A 72 -16.686 -0.123 0.204 1.00 0.00 O ATOM 1228 CB LYS A 72 -15.370 -2.798 -1.287 1.00 0.00 C ATOM 1229 CG LYS A 72 -16.217 -3.705 -2.165 1.00 0.00 C ATOM 1230 CD LYS A 72 -15.987 -3.424 -3.642 1.00 0.00 C ATOM 1231 CE LYS A 72 -16.205 -4.670 -4.486 1.00 0.00 C ATOM 1232 NZ LYS A 72 -17.538 -5.284 -4.235 1.00 0.00 N ATOM 0 H LYS A 72 -13.741 -1.065 -0.579 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.739 -1.164 -2.632 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.318 -3.044 -1.434 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.602 -3.000 -0.241 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.979 -4.747 -1.950 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -17.271 -3.563 -1.926 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.663 -2.636 -3.973 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.972 -3.056 -3.790 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.116 -4.414 -5.542 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.423 -5.398 -4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.740 -5.989 -4.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.537 -5.748 -3.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.269 -4.545 -4.252 1.00 0.00 H new ATOM 1246 N ASP A 73 -17.987 -1.143 -1.326 1.00 0.00 N ATOM 1247 CA ASP A 73 -19.246 -0.726 -0.713 1.00 0.00 C ATOM 1248 C ASP A 73 -19.218 -0.918 0.802 1.00 0.00 C ATOM 1249 O ASP A 73 -19.659 -0.051 1.557 1.00 0.00 O ATOM 1250 CB ASP A 73 -20.413 -1.512 -1.319 1.00 0.00 C ATOM 1251 CG ASP A 73 -21.432 -0.610 -1.986 1.00 0.00 C ATOM 1252 OD1 ASP A 73 -21.552 0.562 -1.569 1.00 0.00 O ATOM 1253 OD2 ASP A 73 -22.110 -1.074 -2.927 1.00 0.00 O ATOM 0 H ASP A 73 -18.098 -1.709 -2.167 1.00 0.00 H new ATOM 0 HA ASP A 73 -19.382 0.336 -0.916 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -20.028 -2.223 -2.050 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -20.902 -2.092 -0.536 1.00 0.00 H new ATOM 1258 N ASP A 74 -18.694 -2.057 1.240 1.00 0.00 N ATOM 1259 CA ASP A 74 -18.606 -2.362 2.663 1.00 0.00 C ATOM 1260 C ASP A 74 -17.344 -3.158 2.969 1.00 0.00 C ATOM 1261 O ASP A 74 -17.315 -3.959 3.905 1.00 0.00 O ATOM 1262 CB ASP A 74 -19.841 -3.143 3.118 1.00 0.00 C ATOM 1263 CG ASP A 74 -19.963 -3.205 4.628 1.00 0.00 C ATOM 1264 OD1 ASP A 74 -20.213 -2.149 5.246 1.00 0.00 O ATOM 1265 OD2 ASP A 74 -19.810 -4.309 5.191 1.00 0.00 O ATOM 0 H ASP A 74 -18.323 -2.785 0.629 1.00 0.00 H new ATOM 0 HA ASP A 74 -18.562 -1.420 3.209 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -20.735 -2.677 2.703 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -19.794 -4.156 2.718 1.00 0.00 H new ATOM 1270 N GLU A 75 -16.301 -2.936 2.175 1.00 0.00 N ATOM 1271 CA GLU A 75 -15.036 -3.635 2.360 1.00 0.00 C ATOM 1272 C GLU A 75 -13.887 -2.849 1.738 1.00 0.00 C ATOM 1273 O GLU A 75 -14.107 -1.898 0.989 1.00 0.00 O ATOM 1274 CB GLU A 75 -15.111 -5.031 1.737 1.00 0.00 C ATOM 1275 CG GLU A 75 -15.987 -5.998 2.518 1.00 0.00 C ATOM 1276 CD GLU A 75 -17.424 -6.006 2.036 1.00 0.00 C ATOM 1277 OE1 GLU A 75 -17.763 -5.180 1.161 1.00 0.00 O ATOM 1278 OE2 GLU A 75 -18.213 -6.837 2.534 1.00 0.00 O ATOM 0 H GLU A 75 -16.308 -2.277 1.397 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.850 -3.729 3.430 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -15.494 -4.946 0.720 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.104 -5.442 1.665 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.575 -7.004 2.435 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.964 -5.730 3.574 1.00 0.00 H new ATOM 1285 N LEU A 76 -12.659 -3.252 2.051 1.00 0.00 N ATOM 1286 CA LEU A 76 -11.476 -2.584 1.519 1.00 0.00 C ATOM 1287 C LEU A 76 -10.621 -3.557 0.713 1.00 0.00 C ATOM 1288 O LEU A 76 -10.443 -4.711 1.104 1.00 0.00 O ATOM 1289 CB LEU A 76 -10.649 -1.977 2.653 1.00 0.00 C ATOM 1290 CG LEU A 76 -9.791 -0.775 2.257 1.00 0.00 C ATOM 1291 CD1 LEU A 76 -10.669 0.418 1.913 1.00 0.00 C ATOM 1292 CD2 LEU A 76 -8.820 -0.421 3.374 1.00 0.00 C ATOM 0 H LEU A 76 -12.457 -4.037 2.670 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.809 -1.784 0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -11.325 -1.674 3.453 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.998 -2.750 3.061 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.213 -1.042 1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.041 1.264 1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.322 0.161 1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -11.274 0.686 2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.218 0.437 3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.378 -0.175 4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.167 -1.271 3.572 1.00 0.00 H new ATOM 1304 N ILE A 77 -10.098 -3.085 -0.413 1.00 0.00 N ATOM 1305 CA ILE A 77 -9.266 -3.915 -1.275 1.00 0.00 C ATOM 1306 C ILE A 77 -7.949 -3.221 -1.611 1.00 0.00 C ATOM 1307 O ILE A 77 -7.934 -2.054 -2.005 1.00 0.00 O ATOM 1308 CB ILE A 77 -10.000 -4.276 -2.584 1.00 0.00 C ATOM 1309 CG1 ILE A 77 -10.216 -3.025 -3.442 1.00 0.00 C ATOM 1310 CG2 ILE A 77 -11.329 -4.951 -2.277 1.00 0.00 C ATOM 1311 CD1 ILE A 77 -9.130 -2.802 -4.470 1.00 0.00 C ATOM 0 H ILE A 77 -10.236 -2.132 -0.750 1.00 0.00 H new ATOM 0 HA ILE A 77 -9.054 -4.830 -0.723 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.380 -4.974 -3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.176 -3.105 -3.952 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -10.273 -2.153 -2.790 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.835 -5.200 -3.210 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -11.151 -5.863 -1.707 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.954 -4.275 -1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.349 -1.899 -5.040 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.170 -2.689 -3.966 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.087 -3.656 -5.145 1.00 0.00 H new ATOM 1323 N LEU A 78 -6.846 -3.947 -1.456 1.00 0.00 N ATOM 1324 CA LEU A 78 -5.527 -3.400 -1.749 1.00 0.00 C ATOM 1325 C LEU A 78 -5.313 -3.286 -3.254 1.00 0.00 C ATOM 1326 O LEU A 78 -5.662 -4.191 -4.012 1.00 0.00 O ATOM 1327 CB LEU A 78 -4.437 -4.277 -1.129 1.00 0.00 C ATOM 1328 CG LEU A 78 -4.512 -4.424 0.392 1.00 0.00 C ATOM 1329 CD1 LEU A 78 -3.336 -5.239 0.908 1.00 0.00 C ATOM 1330 CD2 LEU A 78 -4.548 -3.056 1.057 1.00 0.00 C ATOM 0 H LEU A 78 -6.840 -4.913 -1.130 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.467 -2.402 -1.314 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.491 -5.269 -1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.464 -3.861 -1.391 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.431 -4.953 0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.406 -5.333 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.354 -6.231 0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.404 -4.738 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.601 -3.179 2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.646 -2.502 0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.423 -2.506 0.711 1.00 0.00 H new ATOM 1342 N LEU A 79 -4.740 -2.167 -3.683 1.00 0.00 N ATOM 1343 CA LEU A 79 -4.485 -1.934 -5.099 1.00 0.00 C ATOM 1344 C LEU A 79 -3.069 -2.361 -5.478 1.00 0.00 C ATOM 1345 O LEU A 79 -2.878 -3.370 -6.157 1.00 0.00 O ATOM 1346 CB LEU A 79 -4.704 -0.458 -5.440 1.00 0.00 C ATOM 1347 CG LEU A 79 -5.670 -0.199 -6.596 1.00 0.00 C ATOM 1348 CD1 LEU A 79 -5.243 -0.973 -7.833 1.00 0.00 C ATOM 1349 CD2 LEU A 79 -7.091 -0.571 -6.197 1.00 0.00 C ATOM 0 H LEU A 79 -4.443 -1.407 -3.070 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.186 -2.538 -5.675 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.078 0.053 -4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.741 -0.010 -5.684 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.646 0.865 -6.832 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.943 -0.776 -8.645 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.243 -0.659 -8.132 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.237 -2.040 -7.610 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.765 -0.380 -7.032 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.130 -1.628 -5.933 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.397 0.028 -5.339 1.00 0.00 H new ATOM 1361 N ARG A 80 -2.081 -1.590 -5.039 1.00 0.00 N ATOM 1362 CA ARG A 80 -0.685 -1.894 -5.337 1.00 0.00 C ATOM 1363 C ARG A 80 0.257 -1.173 -4.377 1.00 0.00 C ATOM 1364 O ARG A 80 -0.166 -0.314 -3.604 1.00 0.00 O ATOM 1365 CB ARG A 80 -0.353 -1.510 -6.780 1.00 0.00 C ATOM 1366 CG ARG A 80 -0.446 -0.017 -7.049 1.00 0.00 C ATOM 1367 CD ARG A 80 -1.759 0.342 -7.726 1.00 0.00 C ATOM 1368 NE ARG A 80 -2.035 1.775 -7.663 1.00 0.00 N ATOM 1369 CZ ARG A 80 -2.936 2.390 -8.425 1.00 0.00 C ATOM 1370 NH1 ARG A 80 -3.650 1.704 -9.307 1.00 0.00 N ATOM 1371 NH2 ARG A 80 -3.125 3.698 -8.302 1.00 0.00 N ATOM 0 H ARG A 80 -2.220 -0.751 -4.476 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.544 -2.967 -5.210 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.655 -1.851 -7.015 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.032 -2.035 -7.452 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.357 0.530 -6.110 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.387 0.294 -7.679 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.728 0.025 -8.768 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.573 -0.205 -7.251 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.506 2.337 -6.996 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -3.510 0.698 -9.405 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -4.339 2.182 -9.888 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -2.580 4.231 -7.624 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.815 4.171 -8.886 1.00 0.00 H new ATOM 1385 N LEU A 81 1.535 -1.532 -4.434 1.00 0.00 N ATOM 1386 CA LEU A 81 2.544 -0.926 -3.573 1.00 0.00 C ATOM 1387 C LEU A 81 3.663 -0.301 -4.401 1.00 0.00 C ATOM 1388 O LEU A 81 4.276 -0.969 -5.235 1.00 0.00 O ATOM 1389 CB LEU A 81 3.124 -1.973 -2.621 1.00 0.00 C ATOM 1390 CG LEU A 81 3.874 -1.410 -1.412 1.00 0.00 C ATOM 1391 CD1 LEU A 81 5.154 -0.715 -1.851 1.00 0.00 C ATOM 1392 CD2 LEU A 81 2.986 -0.453 -0.633 1.00 0.00 C ATOM 0 H LEU A 81 1.898 -2.242 -5.070 1.00 0.00 H new ATOM 0 HA LEU A 81 2.065 -0.139 -2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.311 -2.605 -2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.803 -2.615 -3.183 1.00 0.00 H new ATOM 0 HG LEU A 81 4.143 -2.240 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.673 -0.322 -0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.798 -1.429 -2.364 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.910 0.104 -2.527 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.536 -0.062 0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.686 0.372 -1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.099 -0.982 -0.284 1.00 0.00 H new ATOM 1404 N GLY A 82 3.926 0.979 -4.165 1.00 0.00 N ATOM 1405 CA GLY A 82 4.972 1.668 -4.897 1.00 0.00 C ATOM 1406 C GLY A 82 5.845 2.520 -3.996 1.00 0.00 C ATOM 1407 O GLY A 82 5.860 2.334 -2.779 1.00 0.00 O ATOM 0 H GLY A 82 3.434 1.552 -3.480 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.593 0.936 -5.413 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.520 2.299 -5.663 1.00 0.00 H new ATOM 1411 N SER A 83 6.574 3.454 -4.596 1.00 0.00 N ATOM 1412 CA SER A 83 7.455 4.339 -3.841 1.00 0.00 C ATOM 1413 C SER A 83 7.549 5.703 -4.502 1.00 0.00 C ATOM 1414 O SER A 83 7.333 5.843 -5.706 1.00 0.00 O ATOM 1415 CB SER A 83 8.848 3.719 -3.711 1.00 0.00 C ATOM 1416 OG SER A 83 9.092 2.787 -4.749 1.00 0.00 O ATOM 0 H SER A 83 6.573 3.618 -5.603 1.00 0.00 H new ATOM 0 HA SER A 83 7.032 4.469 -2.845 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.603 4.505 -3.739 1.00 0.00 H new ATOM 0 HB3 SER A 83 8.940 3.223 -2.745 1.00 0.00 H new ATOM 0 HG SER A 83 9.989 2.407 -4.643 1.00 0.00 H new ATOM 1422 N HIS A 84 7.870 6.707 -3.700 1.00 0.00 N ATOM 1423 CA HIS A 84 7.996 8.073 -4.186 1.00 0.00 C ATOM 1424 C HIS A 84 8.870 8.140 -5.438 1.00 0.00 C ATOM 1425 O HIS A 84 8.707 9.024 -6.276 1.00 0.00 O ATOM 1426 CB HIS A 84 8.560 8.962 -3.072 1.00 0.00 C ATOM 1427 CG HIS A 84 10.050 9.131 -3.108 1.00 0.00 C ATOM 1428 ND1 HIS A 84 10.667 10.297 -3.507 1.00 0.00 N ATOM 1429 CD2 HIS A 84 11.046 8.270 -2.789 1.00 0.00 C ATOM 1430 CE1 HIS A 84 11.977 10.148 -3.433 1.00 0.00 C ATOM 1431 NE2 HIS A 84 12.234 8.928 -3.000 1.00 0.00 N ATOM 0 H HIS A 84 8.049 6.600 -2.702 1.00 0.00 H new ATOM 0 HA HIS A 84 7.008 8.438 -4.466 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.093 9.945 -3.137 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.278 8.539 -2.108 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.929 7.256 -2.435 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.713 10.897 -3.684 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.164 8.537 -2.847 1.00 0.00 H new ATOM 1440 N SER A 85 9.797 7.196 -5.554 1.00 0.00 N ATOM 1441 CA SER A 85 10.695 7.144 -6.704 1.00 0.00 C ATOM 1442 C SER A 85 10.104 6.293 -7.827 1.00 0.00 C ATOM 1443 O SER A 85 10.480 6.437 -8.989 1.00 0.00 O ATOM 1444 CB SER A 85 12.057 6.584 -6.289 1.00 0.00 C ATOM 1445 OG SER A 85 13.016 6.759 -7.317 1.00 0.00 O ATOM 0 H SER A 85 9.947 6.457 -4.867 1.00 0.00 H new ATOM 0 HA SER A 85 10.823 8.161 -7.075 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.397 7.083 -5.381 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.961 5.524 -6.054 1.00 0.00 H new ATOM 0 HG SER A 85 13.878 6.394 -7.026 1.00 0.00 H new ATOM 1451 N GLU A 86 9.181 5.404 -7.472 1.00 0.00 N ATOM 1452 CA GLU A 86 8.542 4.528 -8.449 1.00 0.00 C ATOM 1453 C GLU A 86 7.389 5.236 -9.157 1.00 0.00 C ATOM 1454 O GLU A 86 7.499 5.607 -10.326 1.00 0.00 O ATOM 1455 CB GLU A 86 8.034 3.254 -7.766 1.00 0.00 C ATOM 1456 CG GLU A 86 8.757 1.995 -8.213 1.00 0.00 C ATOM 1457 CD GLU A 86 8.059 0.728 -7.757 1.00 0.00 C ATOM 1458 OE1 GLU A 86 7.053 0.343 -8.388 1.00 0.00 O ATOM 1459 OE2 GLU A 86 8.520 0.121 -6.767 1.00 0.00 O ATOM 0 H GLU A 86 8.858 5.271 -6.514 1.00 0.00 H new ATOM 0 HA GLU A 86 9.288 4.261 -9.198 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.143 3.362 -6.687 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.969 3.143 -7.969 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.834 1.992 -9.300 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.774 2.006 -7.821 1.00 0.00 H new ATOM 1466 N LEU A 87 6.282 5.415 -8.441 1.00 0.00 N ATOM 1467 CA LEU A 87 5.103 6.073 -9.000 1.00 0.00 C ATOM 1468 C LEU A 87 5.465 7.411 -9.636 1.00 0.00 C ATOM 1469 O LEU A 87 4.864 7.819 -10.630 1.00 0.00 O ATOM 1470 CB LEU A 87 4.046 6.281 -7.911 1.00 0.00 C ATOM 1471 CG LEU A 87 3.456 4.993 -7.328 1.00 0.00 C ATOM 1472 CD1 LEU A 87 3.782 4.874 -5.847 1.00 0.00 C ATOM 1473 CD2 LEU A 87 1.949 4.946 -7.545 1.00 0.00 C ATOM 0 H LEU A 87 6.176 5.114 -7.472 1.00 0.00 H new ATOM 0 HA LEU A 87 4.696 5.426 -9.777 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.490 6.859 -7.100 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.234 6.881 -8.323 1.00 0.00 H new ATOM 0 HG LEU A 87 3.906 4.148 -7.849 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.354 3.952 -5.453 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.864 4.858 -5.713 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.363 5.726 -5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.549 4.024 -7.124 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.484 5.801 -7.054 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.734 4.980 -8.613 1.00 0.00 H new ATOM 1485 N PHE A 88 6.448 8.093 -9.058 1.00 0.00 N ATOM 1486 CA PHE A 88 6.886 9.385 -9.572 1.00 0.00 C ATOM 1487 C PHE A 88 8.276 9.280 -10.194 1.00 0.00 C ATOM 1488 O PHE A 88 8.525 9.969 -11.206 1.00 0.00 O ATOM 1489 CB PHE A 88 6.893 10.428 -8.453 1.00 0.00 C ATOM 1490 CG PHE A 88 5.575 11.125 -8.273 1.00 0.00 C ATOM 1491 CD1 PHE A 88 5.287 12.285 -8.976 1.00 0.00 C ATOM 1492 CD2 PHE A 88 4.624 10.622 -7.400 1.00 0.00 C ATOM 1493 CE1 PHE A 88 4.075 12.930 -8.810 1.00 0.00 C ATOM 1494 CE2 PHE A 88 3.411 11.262 -7.230 1.00 0.00 C ATOM 1495 CZ PHE A 88 3.136 12.417 -7.936 1.00 0.00 C ATOM 1496 OXT PHE A 88 9.105 8.511 -9.664 1.00 0.00 O ATOM 0 H PHE A 88 6.956 7.773 -8.234 1.00 0.00 H new ATOM 0 HA PHE A 88 6.184 9.697 -10.345 1.00 0.00 H new ATOM 0 HB2 PHE A 88 7.169 9.943 -7.517 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.662 11.171 -8.665 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.018 12.689 -9.661 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.833 9.719 -6.846 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.863 13.833 -9.363 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.679 10.859 -6.546 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.188 12.918 -7.805 1.00 0.00 H new TER 1506 PHE A 88