USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 574 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 11 CYS SG : rot 180:sc= -1.81! USER MOD Set 1.2: A 36 TYR OH : rot 168:sc= 1.42 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= 0.0404 (180deg=-0.185) USER MOD Single : A 3 LYS NZ :NH3+ 140:sc= 2.48 (180deg=0.283) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -30:sc= 0.721 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.354 X(o=-0.35,f=-0.54) USER MOD Single : A 22 GLN : amide:sc= -0.0862 X(o=-0.086,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -159:sc= -0.133 (180deg=-0.558) USER MOD Single : A 25 GLN : amide:sc= -1.87! K(o=-1.9!,f=0) USER MOD Single : A 29 SER OG : rot 129:sc= 0.667 USER MOD Single : A 31 GLN : amide:sc= -1.04 X(o=-1,f=-0.98) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 30:sc= 0 USER MOD Single : A 45 MET CE :methyl -161:sc= -1.15 (180deg=-2.04) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 54 SER OG : rot -78:sc= 0.924 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.175 X(o=-0.18,f=-0.44) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 66 HIS : no HD1:sc= -0.0214 X(o=-0.021,f=-0.021) USER MOD Single : A 67 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.057) USER MOD Single : A 68 HIS : no HE2:sc=-0.00577 X(o=-0.0058,f=-0.041) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.795 13.136 -10.614 1.00 0.00 N ATOM 2 CA MET A 1 9.303 13.710 -9.347 1.00 0.00 C ATOM 3 C MET A 1 8.311 13.444 -8.220 1.00 0.00 C ATOM 4 O MET A 1 8.691 13.153 -7.084 1.00 0.00 O ATOM 5 CB MET A 1 9.529 15.217 -9.511 1.00 0.00 C ATOM 6 CG MET A 1 10.103 15.892 -8.274 1.00 0.00 C ATOM 7 SD MET A 1 11.712 15.228 -7.802 1.00 0.00 S ATOM 8 CE MET A 1 12.109 16.272 -6.402 1.00 0.00 C ATOM 0 H1 MET A 1 9.559 13.123 -11.320 1.00 0.00 H new ATOM 0 H2 MET A 1 8.462 12.165 -10.446 1.00 0.00 H new ATOM 0 H3 MET A 1 8.007 13.716 -10.967 1.00 0.00 H new ATOM 0 HA MET A 1 10.253 13.237 -9.096 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.204 15.384 -10.350 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.581 15.691 -9.765 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.196 16.962 -8.459 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.407 15.772 -7.444 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.079 15.984 -5.997 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.144 17.313 -6.723 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.346 16.155 -5.633 1.00 0.00 H new ATOM 20 N GLU A 2 7.035 13.551 -8.550 1.00 0.00 N ATOM 21 CA GLU A 2 5.954 13.337 -7.602 1.00 0.00 C ATOM 22 C GLU A 2 5.028 12.230 -8.094 1.00 0.00 C ATOM 23 O GLU A 2 4.961 11.959 -9.295 1.00 0.00 O ATOM 24 CB GLU A 2 5.154 14.636 -7.415 1.00 0.00 C ATOM 25 CG GLU A 2 5.508 15.756 -8.397 1.00 0.00 C ATOM 26 CD GLU A 2 5.224 15.415 -9.852 1.00 0.00 C ATOM 27 OE1 GLU A 2 4.071 15.577 -10.290 1.00 0.00 O ATOM 28 OE2 GLU A 2 6.170 15.003 -10.569 1.00 0.00 O ATOM 0 H GLU A 2 6.718 13.790 -9.489 1.00 0.00 H new ATOM 0 HA GLU A 2 6.384 13.039 -6.646 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.092 14.409 -7.512 1.00 0.00 H new ATOM 0 HB3 GLU A 2 5.311 15.000 -6.399 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.948 16.652 -8.128 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.566 15.998 -8.291 1.00 0.00 H new ATOM 35 N LYS A 3 4.330 11.575 -7.175 1.00 0.00 N ATOM 36 CA LYS A 3 3.348 10.579 -7.570 1.00 0.00 C ATOM 37 C LYS A 3 1.969 11.217 -7.708 1.00 0.00 C ATOM 38 O LYS A 3 1.339 11.610 -6.725 1.00 0.00 O ATOM 39 CB LYS A 3 3.330 9.380 -6.610 1.00 0.00 C ATOM 40 CG LYS A 3 3.176 9.717 -5.135 1.00 0.00 C ATOM 41 CD LYS A 3 3.264 8.448 -4.299 1.00 0.00 C ATOM 42 CE LYS A 3 3.159 8.721 -2.808 1.00 0.00 C ATOM 43 NZ LYS A 3 1.811 9.205 -2.410 1.00 0.00 N ATOM 0 H LYS A 3 4.424 11.713 -6.169 1.00 0.00 H new ATOM 0 HA LYS A 3 3.638 10.188 -8.545 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.513 8.719 -6.900 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.256 8.820 -6.741 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.954 10.418 -4.830 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.219 10.209 -4.964 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.468 7.766 -4.596 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.209 7.945 -4.507 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.391 7.809 -2.258 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.906 9.463 -2.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.538 8.768 -1.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.831 10.239 -2.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.119 8.947 -3.143 1.00 0.00 H new ATOM 57 N LYS A 4 1.539 11.346 -8.952 1.00 0.00 N ATOM 58 CA LYS A 4 0.267 11.978 -9.283 1.00 0.00 C ATOM 59 C LYS A 4 -0.478 11.190 -10.364 1.00 0.00 C ATOM 60 O LYS A 4 -1.678 11.359 -10.557 1.00 0.00 O ATOM 61 CB LYS A 4 0.539 13.421 -9.742 1.00 0.00 C ATOM 62 CG LYS A 4 -0.678 14.182 -10.258 1.00 0.00 C ATOM 63 CD LYS A 4 -1.669 14.504 -9.151 1.00 0.00 C ATOM 64 CE LYS A 4 -2.813 15.349 -9.688 1.00 0.00 C ATOM 65 NZ LYS A 4 -3.796 15.724 -8.635 1.00 0.00 N ATOM 0 H LYS A 4 2.061 11.016 -9.764 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.372 11.989 -8.400 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.966 13.976 -8.907 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.293 13.398 -10.529 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.351 15.108 -10.731 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.175 13.590 -11.027 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.060 13.580 -8.726 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.163 15.036 -8.346 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.409 16.255 -10.140 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.325 14.799 -10.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.554 16.299 -9.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -4.205 14.863 -8.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.317 16.273 -7.893 1.00 0.00 H new ATOM 79 N PHE A 5 0.233 10.303 -11.037 1.00 0.00 N ATOM 80 CA PHE A 5 -0.335 9.551 -12.155 1.00 0.00 C ATOM 81 C PHE A 5 -0.913 8.220 -11.697 1.00 0.00 C ATOM 82 O PHE A 5 -1.823 7.681 -12.324 1.00 0.00 O ATOM 83 CB PHE A 5 0.726 9.310 -13.230 1.00 0.00 C ATOM 84 CG PHE A 5 1.196 10.573 -13.895 1.00 0.00 C ATOM 85 CD1 PHE A 5 0.515 11.088 -14.984 1.00 0.00 C ATOM 86 CD2 PHE A 5 2.313 11.248 -13.427 1.00 0.00 C ATOM 87 CE1 PHE A 5 0.938 12.251 -15.594 1.00 0.00 C ATOM 88 CE2 PHE A 5 2.740 12.412 -14.034 1.00 0.00 C ATOM 89 CZ PHE A 5 2.052 12.913 -15.118 1.00 0.00 C ATOM 0 H PHE A 5 1.207 10.081 -10.833 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.145 10.148 -12.573 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.581 8.805 -12.780 1.00 0.00 H new ATOM 0 HB3 PHE A 5 0.321 8.638 -13.987 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.357 10.574 -15.361 1.00 0.00 H new ATOM 0 HD2 PHE A 5 2.855 10.859 -12.578 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.398 12.643 -16.443 1.00 0.00 H new ATOM 0 HE2 PHE A 5 3.611 12.929 -13.660 1.00 0.00 H new ATOM 0 HZ PHE A 5 2.384 13.823 -15.595 1.00 0.00 H new ATOM 99 N LEU A 6 -0.378 7.688 -10.611 1.00 0.00 N ATOM 100 CA LEU A 6 -0.851 6.426 -10.066 1.00 0.00 C ATOM 101 C LEU A 6 -1.481 6.630 -8.691 1.00 0.00 C ATOM 102 O LEU A 6 -2.254 5.803 -8.215 1.00 0.00 O ATOM 103 CB LEU A 6 0.300 5.394 -10.011 1.00 0.00 C ATOM 104 CG LEU A 6 1.454 5.605 -8.994 1.00 0.00 C ATOM 105 CD1 LEU A 6 2.008 7.023 -9.014 1.00 0.00 C ATOM 106 CD2 LEU A 6 1.042 5.203 -7.581 1.00 0.00 C ATOM 0 H LEU A 6 0.387 8.112 -10.087 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.623 6.032 -10.727 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.142 4.419 -9.809 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.743 5.343 -11.005 1.00 0.00 H new ATOM 0 HG LEU A 6 2.260 4.945 -9.314 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.812 7.110 -8.283 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.396 7.248 -10.008 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.214 7.727 -8.766 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.876 5.365 -6.899 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.192 5.807 -7.264 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.763 4.149 -7.569 1.00 0.00 H new ATOM 118 N ASP A 7 -1.156 7.755 -8.081 1.00 0.00 N ATOM 119 CA ASP A 7 -1.561 8.048 -6.706 1.00 0.00 C ATOM 120 C ASP A 7 -3.061 8.336 -6.598 1.00 0.00 C ATOM 121 O ASP A 7 -3.636 8.285 -5.513 1.00 0.00 O ATOM 122 CB ASP A 7 -0.750 9.239 -6.195 1.00 0.00 C ATOM 123 CG ASP A 7 -0.941 9.496 -4.716 1.00 0.00 C ATOM 124 OD1 ASP A 7 -0.309 8.792 -3.902 1.00 0.00 O ATOM 125 OD2 ASP A 7 -1.702 10.415 -4.361 1.00 0.00 O ATOM 0 H ASP A 7 -0.605 8.494 -8.518 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.363 7.169 -6.093 1.00 0.00 H new ATOM 0 HB2 ASP A 7 0.307 9.063 -6.394 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.035 10.131 -6.753 1.00 0.00 H new ATOM 130 N ILE A 8 -3.702 8.614 -7.730 1.00 0.00 N ATOM 131 CA ILE A 8 -5.127 8.944 -7.731 1.00 0.00 C ATOM 132 C ILE A 8 -5.995 7.688 -7.709 1.00 0.00 C ATOM 133 O ILE A 8 -7.225 7.770 -7.767 1.00 0.00 O ATOM 134 CB ILE A 8 -5.543 9.833 -8.934 1.00 0.00 C ATOM 135 CG1 ILE A 8 -5.610 9.036 -10.251 1.00 0.00 C ATOM 136 CG2 ILE A 8 -4.594 11.016 -9.071 1.00 0.00 C ATOM 137 CD1 ILE A 8 -4.280 8.516 -10.741 1.00 0.00 C ATOM 0 H ILE A 8 -3.264 8.618 -8.651 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.293 9.516 -6.818 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.548 10.204 -8.733 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.287 8.193 -10.116 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.043 9.672 -11.023 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.898 11.630 -9.919 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.624 11.614 -8.160 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.579 10.652 -9.233 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.424 7.968 -11.672 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.603 9.353 -10.913 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.851 7.851 -9.992 1.00 0.00 H new ATOM 149 N LEU A 9 -5.356 6.527 -7.631 1.00 0.00 N ATOM 150 CA LEU A 9 -6.082 5.273 -7.520 1.00 0.00 C ATOM 151 C LEU A 9 -6.527 5.084 -6.077 1.00 0.00 C ATOM 152 O LEU A 9 -5.705 5.075 -5.161 1.00 0.00 O ATOM 153 CB LEU A 9 -5.215 4.092 -7.969 1.00 0.00 C ATOM 154 CG LEU A 9 -4.618 4.210 -9.373 1.00 0.00 C ATOM 155 CD1 LEU A 9 -3.818 2.966 -9.720 1.00 0.00 C ATOM 156 CD2 LEU A 9 -5.706 4.453 -10.407 1.00 0.00 C ATOM 0 H LEU A 9 -4.341 6.430 -7.643 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.954 5.309 -8.173 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.400 3.970 -7.256 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.817 3.184 -7.924 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.944 5.067 -9.384 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.402 3.069 -10.722 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.008 2.842 -9.001 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.470 2.093 -9.686 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.256 4.533 -11.397 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.411 3.622 -10.395 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.232 5.378 -10.171 1.00 0.00 H new ATOM 168 N VAL A 10 -7.827 4.946 -5.875 1.00 0.00 N ATOM 169 CA VAL A 10 -8.379 4.931 -4.529 1.00 0.00 C ATOM 170 C VAL A 10 -8.815 3.532 -4.098 1.00 0.00 C ATOM 171 O VAL A 10 -9.340 2.750 -4.894 1.00 0.00 O ATOM 172 CB VAL A 10 -9.574 5.905 -4.392 1.00 0.00 C ATOM 173 CG1 VAL A 10 -9.120 7.347 -4.572 1.00 0.00 C ATOM 174 CG2 VAL A 10 -10.673 5.563 -5.389 1.00 0.00 C ATOM 0 H VAL A 10 -8.516 4.843 -6.620 1.00 0.00 H new ATOM 0 HA VAL A 10 -7.574 5.259 -3.871 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.981 5.796 -3.387 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.977 8.013 -4.472 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.378 7.592 -3.812 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.680 7.469 -5.562 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -11.501 6.262 -5.272 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.279 5.633 -6.403 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.027 4.548 -5.207 1.00 0.00 H new ATOM 184 N CYS A 11 -8.563 3.228 -2.832 1.00 0.00 N ATOM 185 CA CYS A 11 -9.058 2.005 -2.209 1.00 0.00 C ATOM 186 C CYS A 11 -10.584 2.066 -2.085 1.00 0.00 C ATOM 187 O CYS A 11 -11.141 3.124 -1.803 1.00 0.00 O ATOM 188 CB CYS A 11 -8.411 1.849 -0.827 1.00 0.00 C ATOM 189 SG CYS A 11 -9.077 0.503 0.180 1.00 0.00 S ATOM 0 H CYS A 11 -8.012 3.819 -2.209 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.797 1.144 -2.824 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -7.341 1.689 -0.959 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -8.528 2.784 -0.280 1.00 0.00 H new ATOM 0 HG CYS A 11 -8.455 0.466 1.321 1.00 0.00 H new ATOM 195 N PRO A 12 -11.283 0.934 -2.282 1.00 0.00 N ATOM 196 CA PRO A 12 -12.755 0.903 -2.284 1.00 0.00 C ATOM 197 C PRO A 12 -13.383 1.006 -0.889 1.00 0.00 C ATOM 198 O PRO A 12 -14.591 1.215 -0.761 1.00 0.00 O ATOM 199 CB PRO A 12 -13.071 -0.457 -2.910 1.00 0.00 C ATOM 200 CG PRO A 12 -11.896 -1.312 -2.574 1.00 0.00 C ATOM 201 CD PRO A 12 -10.702 -0.396 -2.563 1.00 0.00 C ATOM 0 HA PRO A 12 -13.165 1.759 -2.821 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.993 -0.874 -2.505 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.205 -0.375 -3.989 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.028 -1.792 -1.604 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.770 -2.107 -3.309 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.981 -0.687 -1.799 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.178 -0.410 -3.518 1.00 0.00 H new ATOM 209 N VAL A 13 -12.569 0.863 0.153 1.00 0.00 N ATOM 210 CA VAL A 13 -13.077 0.888 1.524 1.00 0.00 C ATOM 211 C VAL A 13 -13.553 2.288 1.913 1.00 0.00 C ATOM 212 O VAL A 13 -14.751 2.523 2.070 1.00 0.00 O ATOM 213 CB VAL A 13 -12.017 0.406 2.538 1.00 0.00 C ATOM 214 CG1 VAL A 13 -12.588 0.405 3.950 1.00 0.00 C ATOM 215 CG2 VAL A 13 -11.515 -0.979 2.161 1.00 0.00 C ATOM 0 H VAL A 13 -11.561 0.729 0.077 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.923 0.201 1.555 1.00 0.00 H new ATOM 0 HB VAL A 13 -11.174 1.097 2.512 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.826 0.062 4.650 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -12.899 1.415 4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.448 -0.263 3.994 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.768 -1.305 2.885 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.349 -1.680 2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.067 -0.946 1.168 1.00 0.00 H new ATOM 225 N THR A 14 -12.614 3.214 2.062 1.00 0.00 N ATOM 226 CA THR A 14 -12.944 4.577 2.456 1.00 0.00 C ATOM 227 C THR A 14 -12.446 5.568 1.401 1.00 0.00 C ATOM 228 O THR A 14 -12.495 6.786 1.592 1.00 0.00 O ATOM 229 CB THR A 14 -12.345 4.916 3.846 1.00 0.00 C ATOM 230 OG1 THR A 14 -12.744 6.230 4.269 1.00 0.00 O ATOM 231 CG2 THR A 14 -10.827 4.826 3.824 1.00 0.00 C ATOM 0 H THR A 14 -11.619 3.046 1.916 1.00 0.00 H new ATOM 0 HA THR A 14 -14.029 4.658 2.529 1.00 0.00 H new ATOM 0 HB THR A 14 -12.730 4.183 4.555 1.00 0.00 H new ATOM 0 HG1 THR A 14 -12.875 6.801 3.483 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.434 5.069 4.811 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.526 3.814 3.552 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.431 5.531 3.093 1.00 0.00 H new ATOM 239 N LYS A 15 -11.997 5.020 0.273 1.00 0.00 N ATOM 240 CA LYS A 15 -11.467 5.807 -0.839 1.00 0.00 C ATOM 241 C LYS A 15 -10.259 6.630 -0.416 1.00 0.00 C ATOM 242 O LYS A 15 -10.375 7.801 -0.051 1.00 0.00 O ATOM 243 CB LYS A 15 -12.547 6.696 -1.464 1.00 0.00 C ATOM 244 CG LYS A 15 -13.674 5.899 -2.106 1.00 0.00 C ATOM 245 CD LYS A 15 -14.693 6.797 -2.786 1.00 0.00 C ATOM 246 CE LYS A 15 -15.389 7.705 -1.789 1.00 0.00 C ATOM 247 NZ LYS A 15 -16.437 8.532 -2.439 1.00 0.00 N ATOM 0 H LYS A 15 -11.991 4.014 0.104 1.00 0.00 H new ATOM 0 HA LYS A 15 -11.136 5.102 -1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.962 7.348 -0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.090 7.339 -2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.257 5.206 -2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.172 5.298 -1.345 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.197 7.402 -3.545 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.434 6.184 -3.300 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.838 7.102 -1.000 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.654 8.355 -1.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.891 9.140 -1.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.004 9.125 -3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.151 7.911 -2.870 1.00 0.00 H new ATOM 261 N GLY A 16 -9.104 5.992 -0.455 1.00 0.00 N ATOM 262 CA GLY A 16 -7.865 6.656 -0.118 1.00 0.00 C ATOM 263 C GLY A 16 -6.769 6.279 -1.087 1.00 0.00 C ATOM 264 O GLY A 16 -6.910 5.295 -1.814 1.00 0.00 O ATOM 0 H GLY A 16 -9.001 5.012 -0.718 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.012 7.736 -0.131 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.568 6.387 0.896 1.00 0.00 H new ATOM 268 N ARG A 17 -5.693 7.055 -1.105 1.00 0.00 N ATOM 269 CA ARG A 17 -4.580 6.820 -2.000 1.00 0.00 C ATOM 270 C ARG A 17 -3.879 5.505 -1.660 1.00 0.00 C ATOM 271 O ARG A 17 -4.057 4.956 -0.569 1.00 0.00 O ATOM 272 CB ARG A 17 -3.611 7.993 -1.888 1.00 0.00 C ATOM 273 CG ARG A 17 -2.687 7.920 -0.682 1.00 0.00 C ATOM 274 CD ARG A 17 -2.134 9.287 -0.310 1.00 0.00 C ATOM 275 NE ARG A 17 -1.579 10.007 -1.455 1.00 0.00 N ATOM 276 CZ ARG A 17 -0.748 11.042 -1.354 1.00 0.00 C ATOM 277 NH1 ARG A 17 -0.242 11.385 -0.176 1.00 0.00 N ATOM 278 NH2 ARG A 17 -0.396 11.706 -2.447 1.00 0.00 N ATOM 0 H ARG A 17 -5.572 7.865 -0.497 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.944 6.741 -3.024 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.006 8.039 -2.794 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.183 8.920 -1.839 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.230 7.504 0.167 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.862 7.240 -0.897 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.928 9.885 0.139 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.359 9.166 0.447 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.845 9.697 -2.390 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.489 10.854 0.659 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.394 12.179 -0.106 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.762 11.422 -3.356 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.240 12.500 -2.378 1.00 0.00 H new ATOM 292 N LEU A 18 -3.081 5.007 -2.590 1.00 0.00 N ATOM 293 CA LEU A 18 -2.409 3.731 -2.410 1.00 0.00 C ATOM 294 C LEU A 18 -0.898 3.916 -2.346 1.00 0.00 C ATOM 295 O LEU A 18 -0.266 4.318 -3.323 1.00 0.00 O ATOM 296 CB LEU A 18 -2.778 2.780 -3.552 1.00 0.00 C ATOM 297 CG LEU A 18 -4.269 2.452 -3.665 1.00 0.00 C ATOM 298 CD1 LEU A 18 -4.540 1.639 -4.919 1.00 0.00 C ATOM 299 CD2 LEU A 18 -4.744 1.697 -2.431 1.00 0.00 C ATOM 0 H LEU A 18 -2.883 5.468 -3.478 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.738 3.299 -1.465 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.446 3.220 -4.492 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.225 1.849 -3.423 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.823 3.388 -3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.605 1.414 -4.984 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.236 2.210 -5.796 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.975 0.708 -4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.806 1.472 -2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.183 0.767 -2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.583 2.311 -1.545 1.00 0.00 H new ATOM 311 N GLU A 19 -0.329 3.628 -1.183 1.00 0.00 N ATOM 312 CA GLU A 19 1.116 3.664 -1.003 1.00 0.00 C ATOM 313 C GLU A 19 1.673 2.259 -1.189 1.00 0.00 C ATOM 314 O GLU A 19 1.172 1.305 -0.594 1.00 0.00 O ATOM 315 CB GLU A 19 1.475 4.197 0.388 1.00 0.00 C ATOM 316 CG GLU A 19 1.058 5.644 0.625 1.00 0.00 C ATOM 317 CD GLU A 19 1.889 6.648 -0.160 1.00 0.00 C ATOM 318 OE1 GLU A 19 2.819 6.234 -0.881 1.00 0.00 O ATOM 319 OE2 GLU A 19 1.617 7.868 -0.045 1.00 0.00 O ATOM 0 H GLU A 19 -0.850 3.366 -0.346 1.00 0.00 H new ATOM 0 HA GLU A 19 1.554 4.334 -1.743 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.003 3.566 1.141 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.552 4.112 0.531 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.009 5.761 0.354 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.140 5.868 1.689 1.00 0.00 H new ATOM 326 N TYR A 20 2.693 2.125 -2.019 1.00 0.00 N ATOM 327 CA TYR A 20 3.225 0.811 -2.348 1.00 0.00 C ATOM 328 C TYR A 20 4.496 0.497 -1.565 1.00 0.00 C ATOM 329 O TYR A 20 5.457 1.269 -1.561 1.00 0.00 O ATOM 330 CB TYR A 20 3.469 0.681 -3.858 1.00 0.00 C ATOM 331 CG TYR A 20 4.198 1.853 -4.486 1.00 0.00 C ATOM 332 CD1 TYR A 20 3.496 2.958 -4.951 1.00 0.00 C ATOM 333 CD2 TYR A 20 5.579 1.850 -4.620 1.00 0.00 C ATOM 334 CE1 TYR A 20 4.151 4.027 -5.531 1.00 0.00 C ATOM 335 CE2 TYR A 20 6.243 2.914 -5.198 1.00 0.00 C ATOM 336 CZ TYR A 20 5.524 4.001 -5.653 1.00 0.00 C ATOM 337 OH TYR A 20 6.182 5.066 -6.226 1.00 0.00 O ATOM 0 H TYR A 20 3.168 2.904 -2.476 1.00 0.00 H new ATOM 0 HA TYR A 20 2.474 0.077 -2.055 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.043 -0.227 -4.043 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.508 0.558 -4.358 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.420 2.982 -4.857 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.145 1.001 -4.266 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.590 4.879 -5.887 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.319 2.896 -5.294 1.00 0.00 H new ATOM 0 HH TYR A 20 7.146 4.889 -6.234 1.00 0.00 H new ATOM 347 N HIS A 21 4.477 -0.644 -0.892 1.00 0.00 N ATOM 348 CA HIS A 21 5.640 -1.148 -0.184 1.00 0.00 C ATOM 349 C HIS A 21 6.489 -1.951 -1.165 1.00 0.00 C ATOM 350 O HIS A 21 6.222 -3.127 -1.409 1.00 0.00 O ATOM 351 CB HIS A 21 5.188 -2.014 1.002 1.00 0.00 C ATOM 352 CG HIS A 21 6.286 -2.427 1.938 1.00 0.00 C ATOM 353 ND1 HIS A 21 6.883 -1.561 2.829 1.00 0.00 N ATOM 354 CD2 HIS A 21 6.868 -3.633 2.143 1.00 0.00 C ATOM 355 CE1 HIS A 21 7.786 -2.216 3.539 1.00 0.00 C ATOM 356 NE2 HIS A 21 7.795 -3.474 3.143 1.00 0.00 N ATOM 0 H HIS A 21 3.655 -1.244 -0.823 1.00 0.00 H new ATOM 0 HA HIS A 21 6.236 -0.326 0.213 1.00 0.00 H new ATOM 0 HB2 HIS A 21 4.435 -1.465 1.568 1.00 0.00 H new ATOM 0 HB3 HIS A 21 4.704 -2.911 0.615 1.00 0.00 H new ATOM 0 HD2 HIS A 21 6.644 -4.549 1.617 1.00 0.00 H new ATOM 0 HE1 HIS A 21 8.410 -1.793 4.312 1.00 0.00 H new ATOM 0 HE2 HIS A 21 8.394 -4.209 3.519 1.00 0.00 H new ATOM 365 N GLN A 22 7.502 -1.298 -1.727 1.00 0.00 N ATOM 366 CA GLN A 22 8.261 -1.832 -2.862 1.00 0.00 C ATOM 367 C GLN A 22 8.942 -3.158 -2.517 1.00 0.00 C ATOM 368 O GLN A 22 9.079 -4.033 -3.374 1.00 0.00 O ATOM 369 CB GLN A 22 9.299 -0.795 -3.308 1.00 0.00 C ATOM 370 CG GLN A 22 9.490 -0.694 -4.817 1.00 0.00 C ATOM 371 CD GLN A 22 10.427 -1.744 -5.390 1.00 0.00 C ATOM 372 OE1 GLN A 22 11.639 -1.545 -5.437 1.00 0.00 O ATOM 373 NE2 GLN A 22 9.874 -2.853 -5.855 1.00 0.00 N ATOM 0 H GLN A 22 7.823 -0.383 -1.411 1.00 0.00 H new ATOM 0 HA GLN A 22 7.566 -2.032 -3.677 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.003 0.182 -2.927 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.257 -1.040 -2.850 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.519 -0.784 -5.303 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.877 0.296 -5.059 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.864 -2.982 -5.798 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.458 -3.579 -6.270 1.00 0.00 H new ATOM 382 N ASP A 23 9.336 -3.303 -1.254 1.00 0.00 N ATOM 383 CA ASP A 23 10.021 -4.508 -0.776 1.00 0.00 C ATOM 384 C ASP A 23 9.243 -5.769 -1.134 1.00 0.00 C ATOM 385 O ASP A 23 9.791 -6.703 -1.716 1.00 0.00 O ATOM 386 CB ASP A 23 10.200 -4.458 0.744 1.00 0.00 C ATOM 387 CG ASP A 23 10.842 -3.176 1.228 1.00 0.00 C ATOM 388 OD1 ASP A 23 10.097 -2.217 1.523 1.00 0.00 O ATOM 389 OD2 ASP A 23 12.083 -3.122 1.324 1.00 0.00 O ATOM 0 H ASP A 23 9.192 -2.595 -0.534 1.00 0.00 H new ATOM 0 HA ASP A 23 10.995 -4.539 -1.265 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.227 -4.572 1.222 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.811 -5.304 1.059 1.00 0.00 H new ATOM 394 N LYS A 24 7.961 -5.782 -0.789 1.00 0.00 N ATOM 395 CA LYS A 24 7.126 -6.962 -0.971 1.00 0.00 C ATOM 396 C LYS A 24 6.126 -6.770 -2.104 1.00 0.00 C ATOM 397 O LYS A 24 5.377 -7.690 -2.440 1.00 0.00 O ATOM 398 CB LYS A 24 6.380 -7.281 0.324 1.00 0.00 C ATOM 399 CG LYS A 24 7.293 -7.629 1.483 1.00 0.00 C ATOM 400 CD LYS A 24 6.496 -8.015 2.721 1.00 0.00 C ATOM 401 CE LYS A 24 7.395 -8.568 3.812 1.00 0.00 C ATOM 402 NZ LYS A 24 8.148 -9.765 3.352 1.00 0.00 N ATOM 0 H LYS A 24 7.475 -4.984 -0.380 1.00 0.00 H new ATOM 0 HA LYS A 24 7.780 -7.794 -1.233 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.767 -6.423 0.601 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.700 -8.114 0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.947 -8.453 1.198 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.934 -6.777 1.712 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.961 -7.143 3.097 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.746 -8.759 2.454 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.097 -7.797 4.130 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.793 -8.830 4.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.461 -10.316 4.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.533 -10.354 2.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.978 -9.463 2.802 1.00 0.00 H new ATOM 416 N GLN A 25 6.128 -5.572 -2.688 1.00 0.00 N ATOM 417 CA GLN A 25 5.202 -5.217 -3.760 1.00 0.00 C ATOM 418 C GLN A 25 3.752 -5.336 -3.293 1.00 0.00 C ATOM 419 O GLN A 25 2.926 -5.973 -3.946 1.00 0.00 O ATOM 420 CB GLN A 25 5.450 -6.095 -4.991 1.00 0.00 C ATOM 421 CG GLN A 25 6.856 -5.960 -5.555 1.00 0.00 C ATOM 422 CD GLN A 25 6.999 -4.839 -6.572 1.00 0.00 C ATOM 423 OE1 GLN A 25 7.846 -4.905 -7.459 1.00 0.00 O ATOM 424 NE2 GLN A 25 6.169 -3.811 -6.468 1.00 0.00 N ATOM 0 H GLN A 25 6.771 -4.823 -2.431 1.00 0.00 H new ATOM 0 HA GLN A 25 5.380 -4.177 -4.035 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.271 -7.137 -4.727 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.729 -5.834 -5.766 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.552 -5.786 -4.735 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.143 -6.902 -6.022 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.477 -3.788 -5.719 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.222 -3.043 -7.137 1.00 0.00 H new ATOM 433 N GLU A 26 3.458 -4.720 -2.156 1.00 0.00 N ATOM 434 CA GLU A 26 2.111 -4.708 -1.611 1.00 0.00 C ATOM 435 C GLU A 26 1.600 -3.277 -1.505 1.00 0.00 C ATOM 436 O GLU A 26 2.363 -2.362 -1.183 1.00 0.00 O ATOM 437 CB GLU A 26 2.094 -5.357 -0.226 1.00 0.00 C ATOM 438 CG GLU A 26 2.508 -6.819 -0.224 1.00 0.00 C ATOM 439 CD GLU A 26 2.442 -7.442 1.155 1.00 0.00 C ATOM 440 OE1 GLU A 26 3.421 -7.311 1.919 1.00 0.00 O ATOM 441 OE2 GLU A 26 1.421 -8.078 1.481 1.00 0.00 O ATOM 0 H GLU A 26 4.143 -4.218 -1.590 1.00 0.00 H new ATOM 0 HA GLU A 26 1.463 -5.274 -2.281 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.760 -4.800 0.433 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.090 -5.274 0.191 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.862 -7.377 -0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.524 -6.905 -0.609 1.00 0.00 H new ATOM 448 N LEU A 27 0.320 -3.083 -1.789 1.00 0.00 N ATOM 449 CA LEU A 27 -0.305 -1.778 -1.613 1.00 0.00 C ATOM 450 C LEU A 27 -0.821 -1.644 -0.193 1.00 0.00 C ATOM 451 O LEU A 27 -1.626 -2.458 0.259 1.00 0.00 O ATOM 452 CB LEU A 27 -1.450 -1.568 -2.604 1.00 0.00 C ATOM 453 CG LEU A 27 -1.024 -1.291 -4.046 1.00 0.00 C ATOM 454 CD1 LEU A 27 -2.241 -1.079 -4.925 1.00 0.00 C ATOM 455 CD2 LEU A 27 -0.105 -0.080 -4.109 1.00 0.00 C ATOM 0 H LEU A 27 -0.305 -3.809 -2.141 1.00 0.00 H new ATOM 0 HA LEU A 27 0.449 -1.014 -1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.084 -2.454 -2.594 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.061 -0.735 -2.257 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.476 -2.158 -4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.921 -0.883 -5.948 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.865 -1.973 -4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.814 -0.229 -4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.188 0.101 -5.143 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.628 0.794 -3.721 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.785 -0.267 -3.508 1.00 0.00 H new ATOM 467 N TRP A 28 -0.362 -0.616 0.500 1.00 0.00 N ATOM 468 CA TRP A 28 -0.701 -0.427 1.898 1.00 0.00 C ATOM 469 C TRP A 28 -1.894 0.498 2.048 1.00 0.00 C ATOM 470 O TRP A 28 -1.784 1.712 1.879 1.00 0.00 O ATOM 471 CB TRP A 28 0.493 0.141 2.668 1.00 0.00 C ATOM 472 CG TRP A 28 1.498 -0.890 3.094 1.00 0.00 C ATOM 473 CD1 TRP A 28 1.623 -2.167 2.629 1.00 0.00 C ATOM 474 CD2 TRP A 28 2.522 -0.720 4.082 1.00 0.00 C ATOM 475 NE1 TRP A 28 2.660 -2.801 3.270 1.00 0.00 N ATOM 476 CE2 TRP A 28 3.225 -1.935 4.167 1.00 0.00 C ATOM 477 CE3 TRP A 28 2.912 0.343 4.905 1.00 0.00 C ATOM 478 CZ2 TRP A 28 4.292 -2.118 5.040 1.00 0.00 C ATOM 479 CZ3 TRP A 28 3.973 0.160 5.771 1.00 0.00 C ATOM 480 CH2 TRP A 28 4.652 -1.065 5.833 1.00 0.00 C ATOM 0 H TRP A 28 0.249 0.103 0.114 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.962 -1.401 2.312 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.992 0.883 2.045 1.00 0.00 H new ATOM 0 HB3 TRP A 28 0.126 0.662 3.553 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.999 -2.614 1.869 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.960 -3.762 3.104 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.393 1.289 4.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 4.818 -3.060 5.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.284 0.973 6.410 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.476 -1.179 6.521 1.00 0.00 H new ATOM 491 N SER A 29 -3.036 -0.084 2.357 1.00 0.00 N ATOM 492 CA SER A 29 -4.220 0.690 2.656 1.00 0.00 C ATOM 493 C SER A 29 -4.377 0.796 4.167 1.00 0.00 C ATOM 494 O SER A 29 -5.189 0.097 4.774 1.00 0.00 O ATOM 495 CB SER A 29 -5.454 0.048 2.019 1.00 0.00 C ATOM 496 OG SER A 29 -5.275 -0.101 0.621 1.00 0.00 O ATOM 0 H SER A 29 -3.167 -1.094 2.407 1.00 0.00 H new ATOM 0 HA SER A 29 -4.117 1.692 2.238 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.639 -0.926 2.473 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.332 0.663 2.215 1.00 0.00 H new ATOM 0 HG SER A 29 -5.477 -1.024 0.362 1.00 0.00 H new ATOM 502 N ARG A 30 -3.567 1.663 4.772 1.00 0.00 N ATOM 503 CA ARG A 30 -3.521 1.796 6.225 1.00 0.00 C ATOM 504 C ARG A 30 -4.844 2.327 6.765 1.00 0.00 C ATOM 505 O ARG A 30 -5.160 2.153 7.941 1.00 0.00 O ATOM 506 CB ARG A 30 -2.367 2.712 6.644 1.00 0.00 C ATOM 507 CG ARG A 30 -2.051 2.641 8.129 1.00 0.00 C ATOM 508 CD ARG A 30 -0.849 3.495 8.497 1.00 0.00 C ATOM 509 NE ARG A 30 -1.130 4.924 8.383 1.00 0.00 N ATOM 510 CZ ARG A 30 -0.595 5.852 9.177 1.00 0.00 C ATOM 511 NH1 ARG A 30 0.266 5.505 10.128 1.00 0.00 N ATOM 512 NH2 ARG A 30 -0.918 7.128 9.011 1.00 0.00 N ATOM 0 H ARG A 30 -2.931 2.286 4.274 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.352 0.807 6.650 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.476 2.444 6.077 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.615 3.740 6.381 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.919 2.971 8.700 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.859 1.605 8.410 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.543 3.267 9.518 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.011 3.239 7.848 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.773 5.230 7.653 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.520 4.525 10.253 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.673 6.219 10.733 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.574 7.397 8.278 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.510 7.840 9.617 1.00 0.00 H new ATOM 526 N GLN A 31 -5.618 2.956 5.888 1.00 0.00 N ATOM 527 CA GLN A 31 -6.933 3.453 6.233 1.00 0.00 C ATOM 528 C GLN A 31 -7.837 2.302 6.663 1.00 0.00 C ATOM 529 O GLN A 31 -8.653 2.443 7.571 1.00 0.00 O ATOM 530 CB GLN A 31 -7.548 4.171 5.033 1.00 0.00 C ATOM 531 CG GLN A 31 -6.954 5.540 4.712 1.00 0.00 C ATOM 532 CD GLN A 31 -5.499 5.481 4.291 1.00 0.00 C ATOM 533 OE1 GLN A 31 -5.188 5.259 3.125 1.00 0.00 O ATOM 534 NE2 GLN A 31 -4.600 5.705 5.232 1.00 0.00 N ATOM 0 H GLN A 31 -5.347 3.133 4.921 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.836 4.154 7.062 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.441 3.533 4.156 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.617 4.291 5.212 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.537 6.003 3.915 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.045 6.182 5.588 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.899 5.886 6.190 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.607 5.697 5.001 1.00 0.00 H new ATOM 543 N ALA A 32 -7.663 1.155 6.013 1.00 0.00 N ATOM 544 CA ALA A 32 -8.477 -0.019 6.297 1.00 0.00 C ATOM 545 C ALA A 32 -7.646 -1.106 6.974 1.00 0.00 C ATOM 546 O ALA A 32 -8.149 -2.191 7.266 1.00 0.00 O ATOM 547 CB ALA A 32 -9.096 -0.549 5.012 1.00 0.00 C ATOM 0 H ALA A 32 -6.963 1.015 5.284 1.00 0.00 H new ATOM 0 HA ALA A 32 -9.275 0.272 6.980 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -9.703 -1.427 5.235 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.724 0.222 4.566 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.305 -0.823 4.313 1.00 0.00 H new ATOM 553 N LYS A 33 -6.371 -0.795 7.212 1.00 0.00 N ATOM 554 CA LYS A 33 -5.426 -1.725 7.833 1.00 0.00 C ATOM 555 C LYS A 33 -5.235 -2.985 6.989 1.00 0.00 C ATOM 556 O LYS A 33 -5.007 -4.067 7.526 1.00 0.00 O ATOM 557 CB LYS A 33 -5.881 -2.112 9.247 1.00 0.00 C ATOM 558 CG LYS A 33 -5.867 -0.962 10.240 1.00 0.00 C ATOM 559 CD LYS A 33 -6.265 -1.436 11.628 1.00 0.00 C ATOM 560 CE LYS A 33 -6.214 -0.308 12.645 1.00 0.00 C ATOM 561 NZ LYS A 33 -6.586 -0.777 14.005 1.00 0.00 N ATOM 0 H LYS A 33 -5.963 0.111 6.979 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.469 -1.208 7.898 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.891 -2.519 9.193 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.236 -2.908 9.620 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.872 -0.519 10.275 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.552 -0.182 9.908 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.272 -1.851 11.596 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.599 -2.240 11.943 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.210 0.116 12.668 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.890 0.490 12.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.540 0.020 14.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.553 -1.159 13.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.926 -1.521 14.308 1.00 0.00 H new ATOM 575 N LEU A 34 -5.299 -2.849 5.671 1.00 0.00 N ATOM 576 CA LEU A 34 -5.125 -3.997 4.792 1.00 0.00 C ATOM 577 C LEU A 34 -4.027 -3.734 3.772 1.00 0.00 C ATOM 578 O LEU A 34 -3.525 -2.614 3.650 1.00 0.00 O ATOM 579 CB LEU A 34 -6.431 -4.316 4.055 1.00 0.00 C ATOM 580 CG LEU A 34 -7.658 -4.552 4.936 1.00 0.00 C ATOM 581 CD1 LEU A 34 -8.905 -4.686 4.079 1.00 0.00 C ATOM 582 CD2 LEU A 34 -7.474 -5.793 5.793 1.00 0.00 C ATOM 0 H LEU A 34 -5.468 -1.965 5.191 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.843 -4.849 5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.650 -3.494 3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.272 -5.204 3.443 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.776 -3.693 5.596 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.771 -4.854 4.720 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.051 -3.772 3.504 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.789 -5.529 3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.359 -5.942 6.412 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.330 -6.661 5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.601 -5.667 6.433 1.00 0.00 H new ATOM 594 N ALA A 35 -3.682 -4.769 3.029 1.00 0.00 N ATOM 595 CA ALA A 35 -2.680 -4.677 1.981 1.00 0.00 C ATOM 596 C ALA A 35 -3.061 -5.582 0.818 1.00 0.00 C ATOM 597 O ALA A 35 -3.488 -6.721 1.028 1.00 0.00 O ATOM 598 CB ALA A 35 -1.309 -5.052 2.521 1.00 0.00 C ATOM 0 H ALA A 35 -4.088 -5.699 3.134 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.636 -3.648 1.625 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.571 -4.978 1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.038 -4.373 3.330 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.334 -6.074 2.898 1.00 0.00 H new ATOM 604 N TYR A 36 -2.918 -5.081 -0.397 1.00 0.00 N ATOM 605 CA TYR A 36 -3.258 -5.858 -1.580 1.00 0.00 C ATOM 606 C TYR A 36 -1.994 -6.353 -2.275 1.00 0.00 C ATOM 607 O TYR A 36 -0.989 -5.641 -2.323 1.00 0.00 O ATOM 608 CB TYR A 36 -4.073 -5.010 -2.564 1.00 0.00 C ATOM 609 CG TYR A 36 -5.289 -4.344 -1.960 1.00 0.00 C ATOM 610 CD1 TYR A 36 -6.401 -5.084 -1.582 1.00 0.00 C ATOM 611 CD2 TYR A 36 -5.325 -2.967 -1.780 1.00 0.00 C ATOM 612 CE1 TYR A 36 -7.515 -4.470 -1.042 1.00 0.00 C ATOM 613 CE2 TYR A 36 -6.434 -2.347 -1.239 1.00 0.00 C ATOM 614 CZ TYR A 36 -7.525 -3.101 -0.872 1.00 0.00 C ATOM 615 OH TYR A 36 -8.632 -2.483 -0.335 1.00 0.00 O ATOM 0 H TYR A 36 -2.570 -4.142 -0.592 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.854 -6.713 -1.261 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.425 -4.241 -2.985 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -4.394 -5.644 -3.391 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.395 -6.156 -1.712 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -4.471 -2.371 -2.068 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.373 -5.059 -0.755 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.445 -1.275 -1.105 1.00 0.00 H new ATOM 0 HH TYR A 36 -8.409 -1.558 -0.101 1.00 0.00 H new ATOM 625 N PRO A 37 -2.035 -7.571 -2.833 1.00 0.00 N ATOM 626 CA PRO A 37 -0.921 -8.132 -3.601 1.00 0.00 C ATOM 627 C PRO A 37 -0.794 -7.465 -4.968 1.00 0.00 C ATOM 628 O PRO A 37 -1.802 -7.162 -5.614 1.00 0.00 O ATOM 629 CB PRO A 37 -1.293 -9.613 -3.763 1.00 0.00 C ATOM 630 CG PRO A 37 -2.471 -9.837 -2.870 1.00 0.00 C ATOM 631 CD PRO A 37 -3.157 -8.511 -2.749 1.00 0.00 C ATOM 0 HA PRO A 37 0.037 -7.981 -3.104 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.539 -9.843 -4.800 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.461 -10.258 -3.482 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.142 -10.586 -3.290 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.156 -10.204 -1.893 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.881 -8.353 -3.548 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.697 -8.417 -1.807 1.00 0.00 H new ATOM 639 N ILE A 38 0.438 -7.223 -5.403 1.00 0.00 N ATOM 640 CA ILE A 38 0.681 -6.548 -6.673 1.00 0.00 C ATOM 641 C ILE A 38 1.585 -7.375 -7.581 1.00 0.00 C ATOM 642 O ILE A 38 2.689 -7.763 -7.192 1.00 0.00 O ATOM 643 CB ILE A 38 1.328 -5.155 -6.461 1.00 0.00 C ATOM 644 CG1 ILE A 38 0.464 -4.283 -5.551 1.00 0.00 C ATOM 645 CG2 ILE A 38 1.561 -4.457 -7.795 1.00 0.00 C ATOM 646 CD1 ILE A 38 -0.953 -4.129 -6.032 1.00 0.00 C ATOM 0 H ILE A 38 1.283 -7.484 -4.895 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.292 -6.425 -7.148 1.00 0.00 H new ATOM 0 HB ILE A 38 2.293 -5.307 -5.976 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.454 -4.715 -4.550 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.920 -3.296 -5.468 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.016 -3.482 -7.621 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.226 -5.062 -8.411 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.609 -4.327 -8.309 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.507 -3.498 -5.337 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.954 -3.668 -7.020 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.427 -5.109 -6.088 1.00 0.00 H new ATOM 658 N LYS A 39 1.105 -7.644 -8.789 1.00 0.00 N ATOM 659 CA LYS A 39 1.916 -8.280 -9.818 1.00 0.00 C ATOM 660 C LYS A 39 1.683 -7.587 -11.156 1.00 0.00 C ATOM 661 O LYS A 39 0.538 -7.400 -11.569 1.00 0.00 O ATOM 662 CB LYS A 39 1.599 -9.775 -9.943 1.00 0.00 C ATOM 663 CG LYS A 39 2.392 -10.466 -11.045 1.00 0.00 C ATOM 664 CD LYS A 39 2.046 -11.941 -11.157 1.00 0.00 C ATOM 665 CE LYS A 39 2.761 -12.584 -12.333 1.00 0.00 C ATOM 666 NZ LYS A 39 2.509 -14.045 -12.408 1.00 0.00 N ATOM 0 H LYS A 39 0.151 -7.430 -9.081 1.00 0.00 H new ATOM 0 HA LYS A 39 2.963 -8.184 -9.530 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.808 -10.265 -8.992 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.534 -9.899 -10.138 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.194 -9.974 -11.997 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.458 -10.358 -10.846 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.322 -12.453 -10.235 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.969 -12.057 -11.275 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.432 -12.112 -13.259 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.833 -12.405 -12.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.015 -14.443 -13.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.846 -14.501 -11.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.489 -14.216 -12.516 1.00 0.00 H new ATOM 680 N ASP A 40 2.777 -7.185 -11.802 1.00 0.00 N ATOM 681 CA ASP A 40 2.734 -6.507 -13.108 1.00 0.00 C ATOM 682 C ASP A 40 2.030 -5.157 -13.015 1.00 0.00 C ATOM 683 O ASP A 40 1.640 -4.575 -14.029 1.00 0.00 O ATOM 684 CB ASP A 40 2.031 -7.364 -14.169 1.00 0.00 C ATOM 685 CG ASP A 40 2.690 -8.706 -14.395 1.00 0.00 C ATOM 686 OD1 ASP A 40 3.899 -8.739 -14.708 1.00 0.00 O ATOM 687 OD2 ASP A 40 1.998 -9.738 -14.262 1.00 0.00 O ATOM 0 H ASP A 40 3.721 -7.318 -11.439 1.00 0.00 H new ATOM 0 HA ASP A 40 3.771 -6.351 -13.407 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.995 -7.523 -13.868 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.009 -6.816 -15.111 1.00 0.00 H new ATOM 692 N GLY A 41 1.891 -4.657 -11.798 1.00 0.00 N ATOM 693 CA GLY A 41 1.169 -3.418 -11.579 1.00 0.00 C ATOM 694 C GLY A 41 -0.332 -3.617 -11.648 1.00 0.00 C ATOM 695 O GLY A 41 -1.086 -2.665 -11.822 1.00 0.00 O ATOM 0 H GLY A 41 2.266 -5.088 -10.953 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.436 -3.010 -10.604 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.472 -2.684 -12.326 1.00 0.00 H new ATOM 699 N ILE A 42 -0.757 -4.867 -11.515 1.00 0.00 N ATOM 700 CA ILE A 42 -2.171 -5.219 -11.539 1.00 0.00 C ATOM 701 C ILE A 42 -2.638 -5.603 -10.141 1.00 0.00 C ATOM 702 O ILE A 42 -2.504 -6.759 -9.734 1.00 0.00 O ATOM 703 CB ILE A 42 -2.466 -6.374 -12.520 1.00 0.00 C ATOM 704 CG1 ILE A 42 -1.953 -6.025 -13.919 1.00 0.00 C ATOM 705 CG2 ILE A 42 -3.958 -6.677 -12.560 1.00 0.00 C ATOM 706 CD1 ILE A 42 -2.540 -4.749 -14.495 1.00 0.00 C ATOM 0 H ILE A 42 -0.133 -5.664 -11.388 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.718 -4.342 -11.885 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.946 -7.266 -12.170 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.868 -5.929 -13.883 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.177 -6.852 -14.593 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.145 -7.494 -13.257 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.298 -6.964 -11.565 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.501 -5.790 -12.887 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.125 -4.573 -15.488 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.623 -4.847 -14.566 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.294 -3.909 -13.845 1.00 0.00 H new ATOM 718 N PRO A 43 -3.113 -4.617 -9.363 1.00 0.00 N ATOM 719 CA PRO A 43 -3.540 -4.827 -7.975 1.00 0.00 C ATOM 720 C PRO A 43 -4.633 -5.888 -7.839 1.00 0.00 C ATOM 721 O PRO A 43 -5.506 -6.017 -8.698 1.00 0.00 O ATOM 722 CB PRO A 43 -4.090 -3.456 -7.557 1.00 0.00 C ATOM 723 CG PRO A 43 -3.453 -2.485 -8.485 1.00 0.00 C ATOM 724 CD PRO A 43 -3.299 -3.216 -9.785 1.00 0.00 C ATOM 0 HA PRO A 43 -2.716 -5.188 -7.359 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.176 -3.425 -7.639 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -3.842 -3.231 -6.520 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.070 -1.595 -8.606 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.487 -2.154 -8.104 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.178 -3.100 -10.419 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.445 -2.850 -10.354 1.00 0.00 H new ATOM 732 N TYR A 44 -4.576 -6.649 -6.757 1.00 0.00 N ATOM 733 CA TYR A 44 -5.601 -7.631 -6.459 1.00 0.00 C ATOM 734 C TYR A 44 -6.414 -7.171 -5.260 1.00 0.00 C ATOM 735 O TYR A 44 -6.155 -7.581 -4.128 1.00 0.00 O ATOM 736 CB TYR A 44 -4.987 -9.003 -6.176 1.00 0.00 C ATOM 737 CG TYR A 44 -4.173 -9.566 -7.319 1.00 0.00 C ATOM 738 CD1 TYR A 44 -4.788 -10.171 -8.407 1.00 0.00 C ATOM 739 CD2 TYR A 44 -2.787 -9.497 -7.305 1.00 0.00 C ATOM 740 CE1 TYR A 44 -4.043 -10.693 -9.446 1.00 0.00 C ATOM 741 CE2 TYR A 44 -2.036 -10.014 -8.340 1.00 0.00 C ATOM 742 CZ TYR A 44 -2.668 -10.612 -9.407 1.00 0.00 C ATOM 743 OH TYR A 44 -1.920 -11.133 -10.438 1.00 0.00 O ATOM 0 H TYR A 44 -3.825 -6.603 -6.068 1.00 0.00 H new ATOM 0 HA TYR A 44 -6.250 -7.725 -7.329 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.351 -8.929 -5.294 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.786 -9.703 -5.935 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.866 -10.234 -8.441 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.288 -9.030 -6.469 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.536 -11.162 -10.285 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.958 -9.950 -8.314 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.431 -11.080 -11.272 1.00 0.00 H new ATOM 753 N MET A 45 -7.366 -6.285 -5.507 1.00 0.00 N ATOM 754 CA MET A 45 -8.239 -5.772 -4.451 1.00 0.00 C ATOM 755 C MET A 45 -9.333 -6.785 -4.104 1.00 0.00 C ATOM 756 O MET A 45 -10.524 -6.480 -4.144 1.00 0.00 O ATOM 757 CB MET A 45 -8.860 -4.420 -4.848 1.00 0.00 C ATOM 758 CG MET A 45 -9.596 -4.425 -6.184 1.00 0.00 C ATOM 759 SD MET A 45 -8.480 -4.421 -7.601 1.00 0.00 S ATOM 760 CE MET A 45 -7.694 -2.820 -7.408 1.00 0.00 C ATOM 0 H MET A 45 -7.558 -5.902 -6.433 1.00 0.00 H new ATOM 0 HA MET A 45 -7.625 -5.614 -3.564 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.555 -4.111 -4.067 1.00 0.00 H new ATOM 0 HB3 MET A 45 -8.070 -3.670 -4.887 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.238 -5.304 -6.236 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.246 -3.552 -6.238 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.243 -2.520 -8.354 1.00 0.00 H new ATOM 0 HE2 MET A 45 -8.439 -2.082 -7.111 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.921 -2.884 -6.642 1.00 0.00 H new ATOM 770 N LEU A 46 -8.912 -7.992 -3.759 1.00 0.00 N ATOM 771 CA LEU A 46 -9.820 -9.046 -3.365 1.00 0.00 C ATOM 772 C LEU A 46 -9.822 -9.154 -1.848 1.00 0.00 C ATOM 773 O LEU A 46 -8.837 -9.593 -1.265 1.00 0.00 O ATOM 774 CB LEU A 46 -9.362 -10.366 -3.988 1.00 0.00 C ATOM 775 CG LEU A 46 -9.224 -10.349 -5.511 1.00 0.00 C ATOM 776 CD1 LEU A 46 -8.571 -11.630 -5.998 1.00 0.00 C ATOM 777 CD2 LEU A 46 -10.581 -10.163 -6.169 1.00 0.00 C ATOM 0 H LEU A 46 -7.929 -8.264 -3.746 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.829 -8.823 -3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.400 -10.641 -3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.071 -11.146 -3.711 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.589 -9.508 -5.789 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.480 -11.602 -7.084 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.580 -11.725 -5.553 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.183 -12.484 -5.707 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.462 -10.154 -7.252 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.239 -10.984 -5.884 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.017 -9.218 -5.844 1.00 0.00 H new ATOM 789 N GLU A 47 -10.916 -8.739 -1.221 1.00 0.00 N ATOM 790 CA GLU A 47 -11.004 -8.662 0.240 1.00 0.00 C ATOM 791 C GLU A 47 -10.550 -9.954 0.917 1.00 0.00 C ATOM 792 O GLU A 47 -9.817 -9.925 1.905 1.00 0.00 O ATOM 793 CB GLU A 47 -12.439 -8.361 0.678 1.00 0.00 C ATOM 794 CG GLU A 47 -13.091 -7.199 -0.051 1.00 0.00 C ATOM 795 CD GLU A 47 -13.715 -7.619 -1.365 1.00 0.00 C ATOM 796 OE1 GLU A 47 -14.857 -8.121 -1.350 1.00 0.00 O ATOM 797 OE2 GLU A 47 -13.072 -7.452 -2.418 1.00 0.00 O ATOM 0 H GLU A 47 -11.766 -8.447 -1.704 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.337 -7.856 0.547 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.046 -9.254 0.528 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.442 -8.150 1.747 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.857 -6.757 0.587 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.345 -6.426 -0.237 1.00 0.00 H new ATOM 804 N ASN A 48 -10.990 -11.085 0.379 1.00 0.00 N ATOM 805 CA ASN A 48 -10.715 -12.386 0.983 1.00 0.00 C ATOM 806 C ASN A 48 -9.255 -12.801 0.811 1.00 0.00 C ATOM 807 O ASN A 48 -8.687 -13.471 1.673 1.00 0.00 O ATOM 808 CB ASN A 48 -11.628 -13.456 0.376 1.00 0.00 C ATOM 809 CG ASN A 48 -11.478 -14.806 1.052 1.00 0.00 C ATOM 810 OD1 ASN A 48 -11.283 -14.893 2.265 1.00 0.00 O ATOM 811 ND2 ASN A 48 -11.542 -15.868 0.266 1.00 0.00 N ATOM 0 H ASN A 48 -11.541 -11.129 -0.478 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.914 -12.294 2.051 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -12.665 -13.129 0.453 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.404 -13.559 -0.686 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.428 -16.802 0.660 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.705 -15.753 -0.734 1.00 0.00 H new ATOM 818 N GLU A 49 -8.648 -12.398 -0.290 1.00 0.00 N ATOM 819 CA GLU A 49 -7.299 -12.849 -0.613 1.00 0.00 C ATOM 820 C GLU A 49 -6.246 -11.820 -0.213 1.00 0.00 C ATOM 821 O GLU A 49 -5.068 -12.156 -0.066 1.00 0.00 O ATOM 822 CB GLU A 49 -7.193 -13.192 -2.095 1.00 0.00 C ATOM 823 CG GLU A 49 -8.191 -14.257 -2.525 1.00 0.00 C ATOM 824 CD GLU A 49 -7.717 -15.076 -3.705 1.00 0.00 C ATOM 825 OE1 GLU A 49 -7.733 -14.564 -4.841 1.00 0.00 O ATOM 826 OE2 GLU A 49 -7.336 -16.248 -3.499 1.00 0.00 O ATOM 0 H GLU A 49 -9.061 -11.764 -0.974 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.103 -13.751 -0.033 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.354 -12.290 -2.685 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.183 -13.538 -2.312 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.387 -14.923 -1.684 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.136 -13.778 -2.780 1.00 0.00 H new ATOM 833 N ALA A 50 -6.668 -10.571 -0.049 1.00 0.00 N ATOM 834 CA ALA A 50 -5.798 -9.538 0.497 1.00 0.00 C ATOM 835 C ALA A 50 -5.523 -9.830 1.966 1.00 0.00 C ATOM 836 O ALA A 50 -6.298 -10.533 2.618 1.00 0.00 O ATOM 837 CB ALA A 50 -6.436 -8.165 0.339 1.00 0.00 C ATOM 0 H ALA A 50 -7.607 -10.250 -0.286 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.856 -9.539 -0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.772 -7.406 0.752 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.606 -7.962 -0.718 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.388 -8.143 0.870 1.00 0.00 H new ATOM 843 N ARG A 51 -4.438 -9.298 2.500 1.00 0.00 N ATOM 844 CA ARG A 51 -4.070 -9.591 3.866 1.00 0.00 C ATOM 845 C ARG A 51 -4.033 -8.321 4.701 1.00 0.00 C ATOM 846 O ARG A 51 -3.682 -7.255 4.201 1.00 0.00 O ATOM 847 CB ARG A 51 -2.730 -10.341 3.910 1.00 0.00 C ATOM 848 CG ARG A 51 -1.650 -9.803 2.973 1.00 0.00 C ATOM 849 CD ARG A 51 -0.961 -8.569 3.535 1.00 0.00 C ATOM 850 NE ARG A 51 -0.431 -8.802 4.876 1.00 0.00 N ATOM 851 CZ ARG A 51 0.441 -8.004 5.486 1.00 0.00 C ATOM 852 NH1 ARG A 51 0.981 -6.974 4.845 1.00 0.00 N ATOM 853 NH2 ARG A 51 0.790 -8.256 6.737 1.00 0.00 N ATOM 0 H ARG A 51 -3.804 -8.667 2.011 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.829 -10.241 4.301 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.349 -10.312 4.931 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.910 -11.388 3.667 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.908 -10.581 2.793 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.097 -9.560 2.009 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.149 -8.273 2.871 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.668 -7.740 3.564 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.750 -9.631 5.377 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.728 -6.788 3.875 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.649 -6.369 5.323 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.391 -9.057 7.226 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.458 -7.649 7.212 1.00 0.00 H new ATOM 867 N PRO A 52 -4.430 -8.415 5.976 1.00 0.00 N ATOM 868 CA PRO A 52 -4.403 -7.276 6.891 1.00 0.00 C ATOM 869 C PRO A 52 -2.989 -6.908 7.307 1.00 0.00 C ATOM 870 O PRO A 52 -2.091 -7.755 7.320 1.00 0.00 O ATOM 871 CB PRO A 52 -5.199 -7.762 8.099 1.00 0.00 C ATOM 872 CG PRO A 52 -5.073 -9.246 8.070 1.00 0.00 C ATOM 873 CD PRO A 52 -4.953 -9.634 6.621 1.00 0.00 C ATOM 0 HA PRO A 52 -4.813 -6.378 6.430 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.801 -7.350 9.026 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.242 -7.453 8.035 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.199 -9.573 8.633 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.942 -9.719 8.528 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.278 -10.479 6.487 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.916 -9.926 6.203 1.00 0.00 H new ATOM 881 N LEU A 53 -2.806 -5.651 7.659 1.00 0.00 N ATOM 882 CA LEU A 53 -1.519 -5.152 8.079 1.00 0.00 C ATOM 883 C LEU A 53 -1.366 -5.323 9.566 1.00 0.00 C ATOM 884 O LEU A 53 -2.333 -5.196 10.320 1.00 0.00 O ATOM 885 CB LEU A 53 -1.373 -3.674 7.730 1.00 0.00 C ATOM 886 CG LEU A 53 -1.057 -3.377 6.269 1.00 0.00 C ATOM 887 CD1 LEU A 53 -1.177 -1.888 5.984 1.00 0.00 C ATOM 888 CD2 LEU A 53 0.332 -3.877 5.910 1.00 0.00 C ATOM 0 H LEU A 53 -3.547 -4.950 7.661 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.747 -5.718 7.558 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.298 -3.162 7.996 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.584 -3.248 8.349 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.784 -3.904 5.650 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.947 -1.699 4.935 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.193 -1.557 6.198 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.477 -1.339 6.614 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.539 -3.656 4.863 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.071 -3.381 6.539 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.384 -4.954 6.070 1.00 0.00 H new ATOM 900 N SER A 54 -0.163 -5.612 9.993 1.00 0.00 N ATOM 901 CA SER A 54 0.105 -5.684 11.407 1.00 0.00 C ATOM 902 C SER A 54 0.422 -4.298 11.941 1.00 0.00 C ATOM 903 O SER A 54 0.690 -3.373 11.170 1.00 0.00 O ATOM 904 CB SER A 54 1.248 -6.653 11.707 1.00 0.00 C ATOM 905 OG SER A 54 2.363 -6.417 10.865 1.00 0.00 O ATOM 0 H SER A 54 0.638 -5.799 9.390 1.00 0.00 H new ATOM 0 HA SER A 54 -0.786 -6.064 11.908 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.550 -6.550 12.749 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.902 -7.678 11.575 1.00 0.00 H new ATOM 0 HG SER A 54 2.190 -6.798 9.979 1.00 0.00 H new ATOM 911 N GLU A 55 0.395 -4.166 13.253 1.00 0.00 N ATOM 912 CA GLU A 55 0.637 -2.908 13.917 1.00 0.00 C ATOM 913 C GLU A 55 2.018 -2.368 13.584 1.00 0.00 C ATOM 914 O GLU A 55 2.189 -1.176 13.340 1.00 0.00 O ATOM 915 CB GLU A 55 0.496 -3.123 15.410 1.00 0.00 C ATOM 916 CG GLU A 55 -0.940 -3.042 15.899 1.00 0.00 C ATOM 917 CD GLU A 55 -1.108 -3.539 17.317 1.00 0.00 C ATOM 918 OE1 GLU A 55 -0.935 -2.740 18.264 1.00 0.00 O ATOM 919 OE2 GLU A 55 -1.425 -4.733 17.494 1.00 0.00 O ATOM 0 H GLU A 55 0.202 -4.939 13.890 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.089 -2.171 13.574 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.906 -4.099 15.669 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.093 -2.377 15.935 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.281 -2.009 15.839 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.578 -3.627 15.236 1.00 0.00 H new ATOM 926 N GLU A 56 2.994 -3.262 13.588 1.00 0.00 N ATOM 927 CA GLU A 56 4.356 -2.934 13.211 1.00 0.00 C ATOM 928 C GLU A 56 4.387 -2.307 11.819 1.00 0.00 C ATOM 929 O GLU A 56 4.964 -1.242 11.630 1.00 0.00 O ATOM 930 CB GLU A 56 5.199 -4.208 13.262 1.00 0.00 C ATOM 931 CG GLU A 56 6.624 -3.997 13.735 1.00 0.00 C ATOM 932 CD GLU A 56 7.560 -3.529 12.643 1.00 0.00 C ATOM 933 OE1 GLU A 56 7.917 -4.355 11.776 1.00 0.00 O ATOM 934 OE2 GLU A 56 7.965 -2.346 12.662 1.00 0.00 O ATOM 0 H GLU A 56 2.862 -4.238 13.854 1.00 0.00 H new ATOM 0 HA GLU A 56 4.769 -2.204 13.907 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.712 -4.925 13.923 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.221 -4.655 12.268 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.626 -3.265 14.542 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.002 -4.931 14.151 1.00 0.00 H new ATOM 941 N GLU A 57 3.731 -2.961 10.862 1.00 0.00 N ATOM 942 CA GLU A 57 3.613 -2.447 9.504 1.00 0.00 C ATOM 943 C GLU A 57 2.909 -1.096 9.475 1.00 0.00 C ATOM 944 O GLU A 57 3.403 -0.142 8.876 1.00 0.00 O ATOM 945 CB GLU A 57 2.846 -3.448 8.655 1.00 0.00 C ATOM 946 CG GLU A 57 3.586 -4.758 8.461 1.00 0.00 C ATOM 947 CD GLU A 57 2.787 -5.773 7.669 1.00 0.00 C ATOM 948 OE1 GLU A 57 1.918 -6.440 8.272 1.00 0.00 O ATOM 949 OE2 GLU A 57 3.023 -5.919 6.449 1.00 0.00 O ATOM 0 H GLU A 57 3.269 -3.859 11.008 1.00 0.00 H new ATOM 0 HA GLU A 57 4.616 -2.306 9.102 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.882 -3.648 9.123 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.641 -3.006 7.680 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.529 -4.565 7.949 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.833 -5.178 9.436 1.00 0.00 H new ATOM 956 N LEU A 58 1.743 -1.036 10.104 1.00 0.00 N ATOM 957 CA LEU A 58 0.991 0.210 10.264 1.00 0.00 C ATOM 958 C LEU A 58 1.882 1.358 10.750 1.00 0.00 C ATOM 959 O LEU A 58 1.800 2.486 10.252 1.00 0.00 O ATOM 960 CB LEU A 58 -0.138 0.003 11.265 1.00 0.00 C ATOM 961 CG LEU A 58 -1.190 -1.031 10.867 1.00 0.00 C ATOM 962 CD1 LEU A 58 -2.209 -1.213 11.979 1.00 0.00 C ATOM 963 CD2 LEU A 58 -1.882 -0.622 9.577 1.00 0.00 C ATOM 0 H LEU A 58 1.288 -1.849 10.520 1.00 0.00 H new ATOM 0 HA LEU A 58 0.591 0.479 9.286 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.296 -0.295 12.219 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.636 0.959 11.427 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.686 -1.983 10.701 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.950 -1.953 11.676 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.704 -1.554 12.883 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.705 -0.263 12.177 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.627 -1.371 9.311 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.371 0.342 9.716 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.145 -0.543 8.778 1.00 0.00 H new ATOM 975 N LYS A 59 2.713 1.059 11.739 1.00 0.00 N ATOM 976 CA LYS A 59 3.615 2.023 12.327 1.00 0.00 C ATOM 977 C LYS A 59 4.828 2.295 11.440 1.00 0.00 C ATOM 978 O LYS A 59 5.446 3.356 11.522 1.00 0.00 O ATOM 979 CB LYS A 59 4.079 1.474 13.667 1.00 0.00 C ATOM 980 CG LYS A 59 3.074 1.631 14.797 1.00 0.00 C ATOM 981 CD LYS A 59 2.946 3.077 15.259 1.00 0.00 C ATOM 982 CE LYS A 59 4.261 3.614 15.811 1.00 0.00 C ATOM 983 NZ LYS A 59 4.092 4.931 16.479 1.00 0.00 N ATOM 0 H LYS A 59 2.776 0.130 12.155 1.00 0.00 H new ATOM 0 HA LYS A 59 3.086 2.969 12.445 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.312 0.416 13.550 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.005 1.975 13.949 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.100 1.270 14.467 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.377 1.008 15.639 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.622 3.698 14.424 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.175 3.146 16.026 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.674 2.898 16.522 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.982 3.710 14.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.011 5.258 16.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.722 5.622 15.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.424 4.836 17.271 1.00 0.00 H new ATOM 997 N ALA A 60 5.157 1.335 10.596 1.00 0.00 N ATOM 998 CA ALA A 60 6.372 1.388 9.787 1.00 0.00 C ATOM 999 C ALA A 60 6.161 2.125 8.465 1.00 0.00 C ATOM 1000 O ALA A 60 6.707 1.726 7.435 1.00 0.00 O ATOM 1001 CB ALA A 60 6.882 -0.022 9.516 1.00 0.00 C ATOM 0 H ALA A 60 4.595 0.497 10.448 1.00 0.00 H new ATOM 0 HA ALA A 60 7.113 1.947 10.358 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.788 0.029 8.912 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.103 -0.517 10.462 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.120 -0.588 8.980 1.00 0.00 H new ATOM 1007 N LEU A 61 5.400 3.214 8.495 1.00 0.00 N ATOM 1008 CA LEU A 61 5.238 4.053 7.307 1.00 0.00 C ATOM 1009 C LEU A 61 6.384 5.050 7.226 1.00 0.00 C ATOM 1010 O LEU A 61 6.464 5.883 6.319 1.00 0.00 O ATOM 1011 CB LEU A 61 3.897 4.802 7.310 1.00 0.00 C ATOM 1012 CG LEU A 61 3.811 6.012 8.251 1.00 0.00 C ATOM 1013 CD1 LEU A 61 2.600 6.864 7.911 1.00 0.00 C ATOM 1014 CD2 LEU A 61 3.744 5.571 9.707 1.00 0.00 C ATOM 0 H LEU A 61 4.890 3.536 9.317 1.00 0.00 H new ATOM 0 HA LEU A 61 5.248 3.400 6.435 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.688 5.139 6.295 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.110 4.098 7.580 1.00 0.00 H new ATOM 0 HG LEU A 61 4.714 6.607 8.114 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.554 7.717 8.588 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.682 7.219 6.884 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.694 6.267 8.017 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.684 6.449 10.351 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.862 4.949 9.858 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.638 4.999 9.956 1.00 0.00 H new ATOM 1026 N GLU A 62 7.262 4.931 8.194 1.00 0.00 N ATOM 1027 CA GLU A 62 8.444 5.770 8.301 1.00 0.00 C ATOM 1028 C GLU A 62 9.617 5.076 7.631 1.00 0.00 C ATOM 1029 O GLU A 62 9.855 3.889 7.864 1.00 0.00 O ATOM 1030 CB GLU A 62 8.782 6.030 9.771 1.00 0.00 C ATOM 1031 CG GLU A 62 7.647 6.648 10.573 1.00 0.00 C ATOM 1032 CD GLU A 62 7.330 8.066 10.151 1.00 0.00 C ATOM 1033 OE1 GLU A 62 8.165 8.963 10.402 1.00 0.00 O ATOM 1034 OE2 GLU A 62 6.246 8.298 9.581 1.00 0.00 O ATOM 0 H GLU A 62 7.179 4.242 8.941 1.00 0.00 H new ATOM 0 HA GLU A 62 8.246 6.723 7.810 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.071 5.088 10.238 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.648 6.689 9.822 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.754 6.033 10.462 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.910 6.640 11.631 1.00 0.00 H new ATOM 1041 N HIS A 63 10.340 5.802 6.800 1.00 0.00 N ATOM 1042 CA HIS A 63 11.495 5.235 6.121 1.00 0.00 C ATOM 1043 C HIS A 63 12.715 5.241 7.034 1.00 0.00 C ATOM 1044 O HIS A 63 13.236 6.296 7.400 1.00 0.00 O ATOM 1045 CB HIS A 63 11.786 5.958 4.796 1.00 0.00 C ATOM 1046 CG HIS A 63 11.754 7.458 4.864 1.00 0.00 C ATOM 1047 ND1 HIS A 63 10.628 8.192 4.575 1.00 0.00 N ATOM 1048 CD2 HIS A 63 12.720 8.358 5.157 1.00 0.00 C ATOM 1049 CE1 HIS A 63 10.901 9.477 4.690 1.00 0.00 C ATOM 1050 NE2 HIS A 63 12.167 9.609 5.042 1.00 0.00 N ATOM 0 H HIS A 63 10.152 6.780 6.578 1.00 0.00 H new ATOM 0 HA HIS A 63 11.260 4.199 5.877 1.00 0.00 H new ATOM 0 HB2 HIS A 63 12.768 5.648 4.440 1.00 0.00 H new ATOM 0 HB3 HIS A 63 11.059 5.629 4.054 1.00 0.00 H new ATOM 0 HD2 HIS A 63 13.740 8.133 5.431 1.00 0.00 H new ATOM 0 HE1 HIS A 63 10.205 10.286 4.524 1.00 0.00 H new ATOM 0 HE2 HIS A 63 12.652 10.492 5.202 1.00 0.00 H new ATOM 1059 N HIS A 64 13.169 4.048 7.389 1.00 0.00 N ATOM 1060 CA HIS A 64 14.295 3.878 8.304 1.00 0.00 C ATOM 1061 C HIS A 64 15.605 3.834 7.528 1.00 0.00 C ATOM 1062 O HIS A 64 16.625 3.387 8.056 1.00 0.00 O ATOM 1063 CB HIS A 64 14.146 2.572 9.098 1.00 0.00 C ATOM 1064 CG HIS A 64 12.890 2.473 9.911 1.00 0.00 C ATOM 1065 ND1 HIS A 64 11.703 1.998 9.400 1.00 0.00 N ATOM 1066 CD2 HIS A 64 12.645 2.767 11.208 1.00 0.00 C ATOM 1067 CE1 HIS A 64 10.784 2.004 10.344 1.00 0.00 C ATOM 1068 NE2 HIS A 64 11.329 2.462 11.455 1.00 0.00 N ATOM 0 H HIS A 64 12.771 3.171 7.054 1.00 0.00 H new ATOM 0 HA HIS A 64 14.304 4.725 8.991 1.00 0.00 H new ATOM 0 HB2 HIS A 64 14.179 1.734 8.402 1.00 0.00 H new ATOM 0 HB3 HIS A 64 15.003 2.468 9.764 1.00 0.00 H new ATOM 0 HD2 HIS A 64 13.353 3.168 11.918 1.00 0.00 H new ATOM 0 HE1 HIS A 64 9.758 1.688 10.228 1.00 0.00 H new ATOM 0 HE2 HIS A 64 10.852 2.571 12.350 1.00 0.00 H new ATOM 1077 N HIS A 65 15.561 4.344 6.291 1.00 0.00 N ATOM 1078 CA HIS A 65 16.642 4.189 5.305 1.00 0.00 C ATOM 1079 C HIS A 65 16.610 2.770 4.751 1.00 0.00 C ATOM 1080 O HIS A 65 15.915 1.905 5.287 1.00 0.00 O ATOM 1081 CB HIS A 65 18.040 4.475 5.893 1.00 0.00 C ATOM 1082 CG HIS A 65 18.190 5.820 6.536 1.00 0.00 C ATOM 1083 ND1 HIS A 65 18.142 6.006 7.903 1.00 0.00 N ATOM 1084 CD2 HIS A 65 18.408 7.043 6.001 1.00 0.00 C ATOM 1085 CE1 HIS A 65 18.320 7.283 8.177 1.00 0.00 C ATOM 1086 NE2 HIS A 65 18.485 7.933 7.043 1.00 0.00 N ATOM 0 H HIS A 65 14.767 4.881 5.941 1.00 0.00 H new ATOM 0 HA HIS A 65 16.470 4.923 4.518 1.00 0.00 H new ATOM 0 HB2 HIS A 65 18.272 3.707 6.631 1.00 0.00 H new ATOM 0 HB3 HIS A 65 18.779 4.385 5.097 1.00 0.00 H new ATOM 0 HD2 HIS A 65 18.504 7.276 4.951 1.00 0.00 H new ATOM 0 HE1 HIS A 65 18.329 7.722 9.164 1.00 0.00 H new ATOM 0 HE2 HIS A 65 18.644 8.937 6.954 1.00 0.00 H new ATOM 1095 N HIS A 66 17.328 2.526 3.669 1.00 0.00 N ATOM 1096 CA HIS A 66 17.484 1.159 3.193 1.00 0.00 C ATOM 1097 C HIS A 66 18.765 0.571 3.769 1.00 0.00 C ATOM 1098 O HIS A 66 19.780 1.266 3.877 1.00 0.00 O ATOM 1099 CB HIS A 66 17.438 1.055 1.657 1.00 0.00 C ATOM 1100 CG HIS A 66 18.392 1.942 0.921 1.00 0.00 C ATOM 1101 ND1 HIS A 66 18.021 3.150 0.376 1.00 0.00 N ATOM 1102 CD2 HIS A 66 19.693 1.770 0.594 1.00 0.00 C ATOM 1103 CE1 HIS A 66 19.050 3.680 -0.254 1.00 0.00 C ATOM 1104 NE2 HIS A 66 20.078 2.866 -0.137 1.00 0.00 N ATOM 0 H HIS A 66 17.803 3.237 3.113 1.00 0.00 H new ATOM 0 HA HIS A 66 16.635 0.574 3.545 1.00 0.00 H new ATOM 0 HB2 HIS A 66 17.639 0.022 1.374 1.00 0.00 H new ATOM 0 HB3 HIS A 66 16.426 1.285 1.325 1.00 0.00 H new ATOM 0 HD2 HIS A 66 20.314 0.927 0.859 1.00 0.00 H new ATOM 0 HE1 HIS A 66 19.050 4.624 -0.778 1.00 0.00 H new ATOM 0 HE2 HIS A 66 21.008 3.024 -0.526 1.00 0.00 H new ATOM 1113 N HIS A 67 18.700 -0.703 4.143 1.00 0.00 N ATOM 1114 CA HIS A 67 19.738 -1.350 4.941 1.00 0.00 C ATOM 1115 C HIS A 67 19.795 -0.723 6.335 1.00 0.00 C ATOM 1116 O HIS A 67 20.705 0.042 6.658 1.00 0.00 O ATOM 1117 CB HIS A 67 21.114 -1.306 4.251 1.00 0.00 C ATOM 1118 CG HIS A 67 22.209 -1.944 5.058 1.00 0.00 C ATOM 1119 ND1 HIS A 67 22.317 -3.303 5.239 1.00 0.00 N ATOM 1120 CD2 HIS A 67 23.223 -1.393 5.765 1.00 0.00 C ATOM 1121 CE1 HIS A 67 23.340 -3.561 6.031 1.00 0.00 C ATOM 1122 NE2 HIS A 67 23.910 -2.418 6.365 1.00 0.00 N ATOM 0 H HIS A 67 17.924 -1.319 3.901 1.00 0.00 H new ATOM 0 HA HIS A 67 19.475 -2.403 5.040 1.00 0.00 H new ATOM 0 HB2 HIS A 67 21.044 -1.809 3.286 1.00 0.00 H new ATOM 0 HB3 HIS A 67 21.378 -0.268 4.051 1.00 0.00 H new ATOM 0 HD2 HIS A 67 23.450 -0.340 5.843 1.00 0.00 H new ATOM 0 HE1 HIS A 67 23.658 -4.542 6.352 1.00 0.00 H new ATOM 0 HE2 HIS A 67 24.726 -2.314 6.969 1.00 0.00 H new ATOM 1131 N HIS A 68 18.779 -1.020 7.129 1.00 0.00 N ATOM 1132 CA HIS A 68 18.724 -0.611 8.525 1.00 0.00 C ATOM 1133 C HIS A 68 17.505 -1.233 9.181 1.00 0.00 C ATOM 1134 O HIS A 68 16.377 -0.896 8.774 1.00 0.00 O ATOM 1135 CB HIS A 68 18.675 0.913 8.678 1.00 0.00 C ATOM 1136 CG HIS A 68 18.826 1.359 10.101 1.00 0.00 C ATOM 1137 ND1 HIS A 68 17.982 2.264 10.708 1.00 0.00 N ATOM 1138 CD2 HIS A 68 19.740 1.012 11.039 1.00 0.00 C ATOM 1139 CE1 HIS A 68 18.373 2.454 11.958 1.00 0.00 C ATOM 1140 NE2 HIS A 68 19.437 1.705 12.182 1.00 0.00 N ATOM 1141 OXT HIS A 68 17.680 -2.071 10.085 1.00 0.00 O ATOM 0 H HIS A 68 17.965 -1.554 6.823 1.00 0.00 H new ATOM 0 HA HIS A 68 19.635 -0.958 9.013 1.00 0.00 H new ATOM 0 HB2 HIS A 68 19.466 1.360 8.076 1.00 0.00 H new ATOM 0 HB3 HIS A 68 17.728 1.283 8.285 1.00 0.00 H new ATOM 0 HD1 HIS A 68 17.183 2.716 10.264 1.00 0.00 H new ATOM 0 HD2 HIS A 68 20.557 0.317 10.910 1.00 0.00 H new ATOM 0 HE1 HIS A 68 17.901 3.111 12.674 1.00 0.00 H new TER 1150 HIS A 68