USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 505 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 47 CYS SG : rot -60:sc= -2.51 USER MOD Set 1.2: A 49 HIS : no HD1:sc= -5.81! C(o=-10!,f=-13!) USER MOD Set 1.3: A 71 CYS SG : rot 157:sc= -0.868 USER MOD Set 1.4: A 74 CYS SG : rot 180:sc= -1.75 USER MOD Set 1.5: A 76 THR OG1 : rot 105:sc= 0.483 USER MOD Set 2.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 38 SER OG : rot 50:sc= 0.0124 USER MOD Set 3.1: A 14 CYS SG : rot 135:sc= 0.84 USER MOD Set 3.2: A 17 CYS SG : rot -66:sc= -3.52! USER MOD Set 3.3: A 25 SER OG : rot -148:sc= 0.293 USER MOD Set 3.4: A 52 HIS : no HE2:sc= -4.7 K(o=-5.9,f=-7.7!) USER MOD Set 3.5: A 55 CYS SG : rot 20:sc= 1.17 USER MOD Single : A 3 THR OG1 : rot -110:sc=-3.55e-05 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -160:sc= -1.47 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 135:sc= -1.24 USER MOD Single : A 43 HIS : no HD1:sc= -2.24 X(o=-2.2,f=-2) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 173:sc= 0.285 (180deg=0.262) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0214 USER MOD Single : A 59 MET CE :methyl 169:sc= -2.51! (180deg=-2.97!) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.0281 USER MOD Single : A 61 CYS SG : rot -80:sc= 0.687 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.381 X(o=-0.38,f=-0.73) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 48:sc= 1.17 USER MOD Single : A 70 GLN : amide:sc= -5.76! C(o=-5.8!,f=-7.4!) USER MOD Single : A 73 SER OG : rot 170:sc= -0.0277 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N THR A 3 3.718 0.168 -3.941 1.00 0.00 N ATOM 37 CA THR A 3 2.804 -0.954 -4.108 1.00 0.00 C ATOM 38 C THR A 3 2.008 -0.829 -5.403 1.00 0.00 C ATOM 39 O THR A 3 1.824 0.271 -5.923 1.00 0.00 O ATOM 40 CB THR A 3 1.822 -1.061 -2.924 1.00 0.00 C ATOM 41 OG1 THR A 3 0.474 -1.033 -3.403 1.00 0.00 O ATOM 42 CG2 THR A 3 2.039 0.078 -1.938 1.00 0.00 C ATOM 0 HA THR A 3 3.416 -1.855 -4.146 1.00 0.00 H new ATOM 0 HB THR A 3 2.005 -2.005 -2.411 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.052 -0.188 -3.143 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.335 -0.018 -1.111 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.058 0.037 -1.554 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.879 1.031 -2.442 1.00 0.00 H new ATOM 50 N GLU A 4 1.538 -1.961 -5.915 1.00 0.00 N ATOM 51 CA GLU A 4 0.762 -1.977 -7.149 1.00 0.00 C ATOM 52 C GLU A 4 -0.547 -2.738 -6.961 1.00 0.00 C ATOM 53 O GLU A 4 -0.549 -3.956 -6.791 1.00 0.00 O ATOM 54 CB GLU A 4 1.574 -2.611 -8.281 1.00 0.00 C ATOM 55 CG GLU A 4 0.792 -3.625 -9.096 1.00 0.00 C ATOM 56 CD GLU A 4 1.467 -3.961 -10.413 1.00 0.00 C ATOM 57 OE1 GLU A 4 1.809 -5.145 -10.619 1.00 0.00 O ATOM 58 OE2 GLU A 4 1.654 -3.041 -11.236 1.00 0.00 O ATOM 0 H GLU A 4 1.681 -2.879 -5.495 1.00 0.00 H new ATOM 0 HA GLU A 4 0.528 -0.946 -7.412 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.933 -1.824 -8.944 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.453 -3.097 -7.858 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.668 -4.537 -8.512 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.207 -3.235 -9.293 1.00 0.00 H new ATOM 65 N GLU A 5 -1.658 -2.008 -6.991 1.00 0.00 N ATOM 66 CA GLU A 5 -2.974 -2.614 -6.821 1.00 0.00 C ATOM 67 C GLU A 5 -3.018 -4.003 -7.453 1.00 0.00 C ATOM 68 O GLU A 5 -2.412 -4.243 -8.497 1.00 0.00 O ATOM 69 CB GLU A 5 -4.053 -1.726 -7.441 1.00 0.00 C ATOM 70 CG GLU A 5 -5.436 -1.944 -6.851 1.00 0.00 C ATOM 71 CD GLU A 5 -6.545 -1.489 -7.778 1.00 0.00 C ATOM 72 OE1 GLU A 5 -6.646 -0.269 -8.028 1.00 0.00 O ATOM 73 OE2 GLU A 5 -7.312 -2.352 -8.255 1.00 0.00 O ATOM 0 H GLU A 5 -1.673 -0.998 -7.131 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.165 -2.713 -5.752 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.772 -0.681 -7.309 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.092 -1.912 -8.514 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.568 -3.002 -6.625 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.513 -1.405 -5.907 1.00 0.00 H new ATOM 80 N LEU A 6 -3.739 -4.915 -6.811 1.00 0.00 N ATOM 81 CA LEU A 6 -3.864 -6.280 -7.308 1.00 0.00 C ATOM 82 C LEU A 6 -5.115 -6.436 -8.165 1.00 0.00 C ATOM 83 O LEU A 6 -6.238 -6.303 -7.675 1.00 0.00 O ATOM 84 CB LEU A 6 -3.906 -7.268 -6.139 1.00 0.00 C ATOM 85 CG LEU A 6 -2.724 -7.213 -5.172 1.00 0.00 C ATOM 86 CD1 LEU A 6 -2.707 -8.445 -4.281 1.00 0.00 C ATOM 87 CD2 LEU A 6 -1.414 -7.088 -5.937 1.00 0.00 C ATOM 0 H LEU A 6 -4.246 -4.734 -5.945 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.993 -6.495 -7.927 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.821 -7.092 -5.573 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.971 -8.278 -6.545 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.837 -6.333 -4.539 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.859 -8.389 -3.599 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.632 -8.491 -3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.618 -9.339 -4.898 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.583 -7.050 -5.232 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.293 -7.949 -6.595 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.426 -6.175 -6.533 1.00 0.00 H new ATOM 99 N LYS A 7 -4.916 -6.721 -9.447 1.00 0.00 N ATOM 100 CA LYS A 7 -6.028 -6.899 -10.374 1.00 0.00 C ATOM 101 C LYS A 7 -7.185 -7.630 -9.702 1.00 0.00 C ATOM 102 O LYS A 7 -8.343 -7.467 -10.085 1.00 0.00 O ATOM 103 CB LYS A 7 -5.569 -7.674 -11.611 1.00 0.00 C ATOM 104 CG LYS A 7 -4.521 -6.944 -12.433 1.00 0.00 C ATOM 105 CD LYS A 7 -5.108 -5.732 -13.135 1.00 0.00 C ATOM 106 CE LYS A 7 -4.759 -5.721 -14.615 1.00 0.00 C ATOM 107 NZ LYS A 7 -5.917 -6.116 -15.462 1.00 0.00 N ATOM 0 H LYS A 7 -3.994 -6.834 -9.869 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.375 -5.912 -10.680 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.166 -8.637 -11.297 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.434 -7.880 -12.241 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.703 -6.629 -11.785 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.098 -7.624 -13.172 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.191 -5.731 -13.016 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.734 -4.822 -12.665 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.423 -4.724 -14.901 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.927 -6.402 -14.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.637 -6.096 -16.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.222 -7.077 -15.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.702 -5.452 -15.308 1.00 0.00 H new ATOM 121 N VAL A 8 -6.864 -8.438 -8.696 1.00 0.00 N ATOM 122 CA VAL A 8 -7.877 -9.194 -7.969 1.00 0.00 C ATOM 123 C VAL A 8 -7.473 -9.394 -6.512 1.00 0.00 C ATOM 124 O VAL A 8 -6.299 -9.309 -6.151 1.00 0.00 O ATOM 125 CB VAL A 8 -8.123 -10.569 -8.616 1.00 0.00 C ATOM 126 CG1 VAL A 8 -9.193 -10.470 -9.692 1.00 0.00 C ATOM 127 CG2 VAL A 8 -6.829 -11.128 -9.188 1.00 0.00 C ATOM 0 H VAL A 8 -5.910 -8.586 -8.366 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.798 -8.612 -8.011 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.479 -11.254 -7.847 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.353 -11.452 -10.138 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.124 -10.117 -9.248 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.870 -9.770 -10.463 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.022 -12.100 -9.641 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.441 -10.446 -9.944 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.096 -11.239 -8.389 1.00 0.00 H new ATOM 137 N PRO A 9 -8.467 -9.668 -5.655 1.00 0.00 N ATOM 138 CA PRO A 9 -8.239 -9.887 -4.223 1.00 0.00 C ATOM 139 C PRO A 9 -7.509 -11.197 -3.946 1.00 0.00 C ATOM 140 O PRO A 9 -7.869 -12.257 -4.458 1.00 0.00 O ATOM 141 CB PRO A 9 -9.655 -9.931 -3.642 1.00 0.00 C ATOM 142 CG PRO A 9 -10.517 -10.361 -4.778 1.00 0.00 C ATOM 143 CD PRO A 9 -9.890 -9.784 -6.017 1.00 0.00 C ATOM 0 HA PRO A 9 -7.608 -9.112 -3.787 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.720 -10.631 -2.809 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.958 -8.955 -3.263 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.570 -11.448 -4.838 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.537 -9.999 -4.652 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.034 -10.434 -6.880 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.320 -8.816 -6.272 1.00 0.00 H new ATOM 151 N PRO A 10 -6.458 -11.124 -3.117 1.00 0.00 N ATOM 152 CA PRO A 10 -5.655 -12.296 -2.753 1.00 0.00 C ATOM 153 C PRO A 10 -6.419 -13.266 -1.858 1.00 0.00 C ATOM 154 O PRO A 10 -7.643 -13.197 -1.754 1.00 0.00 O ATOM 155 CB PRO A 10 -4.468 -11.691 -1.997 1.00 0.00 C ATOM 156 CG PRO A 10 -4.980 -10.399 -1.460 1.00 0.00 C ATOM 157 CD PRO A 10 -5.971 -9.894 -2.471 1.00 0.00 C ATOM 0 HA PRO A 10 -5.368 -12.882 -3.626 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.133 -12.348 -1.195 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.616 -11.535 -2.658 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.452 -10.540 -0.488 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -4.168 -9.686 -1.319 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.782 -9.341 -1.997 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.504 -9.221 -3.190 1.00 0.00 H new ATOM 165 N ASP A 11 -5.687 -14.168 -1.213 1.00 0.00 N ATOM 166 CA ASP A 11 -6.296 -15.152 -0.325 1.00 0.00 C ATOM 167 C ASP A 11 -5.404 -15.419 0.883 1.00 0.00 C ATOM 168 O ASP A 11 -5.131 -16.570 1.222 1.00 0.00 O ATOM 169 CB ASP A 11 -6.559 -16.457 -1.079 1.00 0.00 C ATOM 170 CG ASP A 11 -7.574 -17.337 -0.376 1.00 0.00 C ATOM 171 OD1 ASP A 11 -7.310 -17.744 0.776 1.00 0.00 O ATOM 172 OD2 ASP A 11 -8.631 -17.619 -0.977 1.00 0.00 O ATOM 0 H ASP A 11 -4.672 -14.238 -1.288 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.245 -14.748 0.029 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.915 -16.228 -2.083 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.623 -17.004 -1.190 1.00 0.00 H new ATOM 177 N GLU A 12 -4.952 -14.348 1.528 1.00 0.00 N ATOM 178 CA GLU A 12 -4.090 -14.467 2.697 1.00 0.00 C ATOM 179 C GLU A 12 -4.782 -13.919 3.942 1.00 0.00 C ATOM 180 O GLU A 12 -5.558 -14.618 4.592 1.00 0.00 O ATOM 181 CB GLU A 12 -2.772 -13.725 2.464 1.00 0.00 C ATOM 182 CG GLU A 12 -1.826 -14.449 1.520 1.00 0.00 C ATOM 183 CD GLU A 12 -1.116 -15.613 2.185 1.00 0.00 C ATOM 184 OE1 GLU A 12 -0.640 -16.510 1.457 1.00 0.00 O ATOM 185 OE2 GLU A 12 -1.037 -15.627 3.431 1.00 0.00 O ATOM 0 H GLU A 12 -5.169 -13.388 1.260 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.880 -15.525 2.855 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.988 -12.736 2.061 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.274 -13.577 3.422 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.386 -14.814 0.659 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.085 -13.744 1.143 1.00 0.00 H new ATOM 192 N ASP A 13 -4.492 -12.664 4.267 1.00 0.00 N ATOM 193 CA ASP A 13 -5.086 -12.020 5.434 1.00 0.00 C ATOM 194 C ASP A 13 -4.261 -10.812 5.866 1.00 0.00 C ATOM 195 O ASP A 13 -3.032 -10.872 5.916 1.00 0.00 O ATOM 196 CB ASP A 13 -5.200 -13.016 6.589 1.00 0.00 C ATOM 197 CG ASP A 13 -4.878 -12.387 7.930 1.00 0.00 C ATOM 198 OD1 ASP A 13 -3.919 -12.844 8.585 1.00 0.00 O ATOM 199 OD2 ASP A 13 -5.585 -11.436 8.323 1.00 0.00 O ATOM 0 H ASP A 13 -3.850 -12.072 3.740 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.084 -11.677 5.161 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.211 -13.423 6.615 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.524 -13.852 6.412 1.00 0.00 H new ATOM 204 N CYS A 14 -4.944 -9.717 6.179 1.00 0.00 N ATOM 205 CA CYS A 14 -4.276 -8.494 6.606 1.00 0.00 C ATOM 206 C CYS A 14 -3.232 -8.791 7.677 1.00 0.00 C ATOM 207 O CYS A 14 -3.247 -9.855 8.297 1.00 0.00 O ATOM 208 CB CYS A 14 -5.299 -7.489 7.141 1.00 0.00 C ATOM 209 SG CYS A 14 -4.576 -5.904 7.675 1.00 0.00 S ATOM 0 H CYS A 14 -5.961 -9.651 6.145 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.772 -8.064 5.741 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.041 -7.295 6.366 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.827 -7.937 7.983 1.00 0.00 H new ATOM 0 HG CYS A 14 -5.291 -4.923 7.211 1.00 0.00 H new ATOM 214 N ILE A 15 -2.325 -7.843 7.890 1.00 0.00 N ATOM 215 CA ILE A 15 -1.273 -8.002 8.887 1.00 0.00 C ATOM 216 C ILE A 15 -1.426 -6.988 10.014 1.00 0.00 C ATOM 217 O ILE A 15 -1.007 -7.233 11.146 1.00 0.00 O ATOM 218 CB ILE A 15 0.126 -7.849 8.259 1.00 0.00 C ATOM 219 CG1 ILE A 15 0.025 -7.842 6.733 1.00 0.00 C ATOM 220 CG2 ILE A 15 1.043 -8.966 8.731 1.00 0.00 C ATOM 221 CD1 ILE A 15 1.311 -8.242 6.042 1.00 0.00 C ATOM 0 H ILE A 15 -2.298 -6.957 7.386 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.372 -9.009 9.292 1.00 0.00 H new ATOM 0 HB ILE A 15 0.551 -6.898 8.580 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.770 -8.522 6.426 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.262 -6.845 6.400 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.027 -8.844 8.279 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.135 -8.927 9.816 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.625 -9.929 8.437 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.167 -8.215 4.962 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.104 -7.548 6.320 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.589 -9.251 6.346 1.00 0.00 H new ATOM 233 N ILE A 16 -2.031 -5.847 9.699 1.00 0.00 N ATOM 234 CA ILE A 16 -2.243 -4.797 10.687 1.00 0.00 C ATOM 235 C ILE A 16 -3.474 -5.083 11.539 1.00 0.00 C ATOM 236 O ILE A 16 -3.365 -5.367 12.732 1.00 0.00 O ATOM 237 CB ILE A 16 -2.404 -3.419 10.018 1.00 0.00 C ATOM 238 CG1 ILE A 16 -1.253 -3.162 9.043 1.00 0.00 C ATOM 239 CG2 ILE A 16 -2.469 -2.322 11.070 1.00 0.00 C ATOM 240 CD1 ILE A 16 -1.174 -1.730 8.565 1.00 0.00 C ATOM 0 H ILE A 16 -2.383 -5.627 8.767 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.359 -4.781 11.325 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.339 -3.413 9.457 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.313 -3.428 9.526 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.365 -3.819 8.180 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.583 -1.355 10.581 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.320 -2.498 11.727 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.550 -2.326 11.657 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.335 -1.622 7.877 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.099 -1.466 8.053 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.030 -1.069 9.419 1.00 0.00 H new ATOM 252 N CYS A 17 -4.647 -5.008 10.918 1.00 0.00 N ATOM 253 CA CYS A 17 -5.901 -5.260 11.618 1.00 0.00 C ATOM 254 C CYS A 17 -6.075 -6.750 11.901 1.00 0.00 C ATOM 255 O CYS A 17 -6.955 -7.148 12.664 1.00 0.00 O ATOM 256 CB CYS A 17 -7.082 -4.745 10.793 1.00 0.00 C ATOM 257 SG CYS A 17 -7.434 -5.730 9.302 1.00 0.00 S ATOM 0 H CYS A 17 -4.755 -4.775 9.931 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.871 -4.728 12.569 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.971 -4.729 11.423 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.882 -3.715 10.496 1.00 0.00 H new ATOM 0 HG CYS A 17 -6.444 -5.621 8.466 1.00 0.00 H new ATOM 262 N MET A 18 -5.231 -7.567 11.281 1.00 0.00 N ATOM 263 CA MET A 18 -5.291 -9.012 11.468 1.00 0.00 C ATOM 264 C MET A 18 -6.626 -9.568 10.983 1.00 0.00 C ATOM 265 O MET A 18 -7.116 -10.570 11.502 1.00 0.00 O ATOM 266 CB MET A 18 -5.083 -9.367 12.940 1.00 0.00 C ATOM 267 CG MET A 18 -3.675 -9.844 13.257 1.00 0.00 C ATOM 268 SD MET A 18 -3.650 -11.470 14.036 1.00 0.00 S ATOM 269 CE MET A 18 -3.136 -12.496 12.662 1.00 0.00 C ATOM 0 H MET A 18 -4.498 -7.254 10.645 1.00 0.00 H new ATOM 0 HA MET A 18 -4.493 -9.462 10.877 1.00 0.00 H new ATOM 0 HB2 MET A 18 -5.308 -8.493 13.551 1.00 0.00 H new ATOM 0 HB3 MET A 18 -5.793 -10.144 13.222 1.00 0.00 H new ATOM 0 HG2 MET A 18 -3.091 -9.877 12.337 1.00 0.00 H new ATOM 0 HG3 MET A 18 -3.191 -9.123 13.915 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.074 -13.535 12.987 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.862 -12.411 11.853 1.00 0.00 H new ATOM 0 HE3 MET A 18 -2.159 -12.167 12.308 1.00 0.00 H new ATOM 279 N GLU A 19 -7.210 -8.911 9.985 1.00 0.00 N ATOM 280 CA GLU A 19 -8.488 -9.339 9.433 1.00 0.00 C ATOM 281 C GLU A 19 -8.312 -9.901 8.025 1.00 0.00 C ATOM 282 O GLU A 19 -7.312 -9.634 7.358 1.00 0.00 O ATOM 283 CB GLU A 19 -9.476 -8.172 9.408 1.00 0.00 C ATOM 284 CG GLU A 19 -9.512 -7.377 10.703 1.00 0.00 C ATOM 285 CD GLU A 19 -10.504 -7.938 11.704 1.00 0.00 C ATOM 286 OE1 GLU A 19 -10.140 -8.062 12.892 1.00 0.00 O ATOM 287 OE2 GLU A 19 -11.643 -8.252 11.300 1.00 0.00 O ATOM 0 H GLU A 19 -6.817 -8.080 9.543 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.885 -10.127 10.073 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.215 -7.503 8.588 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.474 -8.557 9.200 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.517 -7.369 11.148 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.770 -6.341 10.482 1.00 0.00 H new ATOM 294 N LYS A 20 -9.291 -10.680 7.578 1.00 0.00 N ATOM 295 CA LYS A 20 -9.246 -11.280 6.250 1.00 0.00 C ATOM 296 C LYS A 20 -8.966 -10.224 5.185 1.00 0.00 C ATOM 297 O LYS A 20 -9.508 -9.119 5.235 1.00 0.00 O ATOM 298 CB LYS A 20 -10.567 -11.990 5.943 1.00 0.00 C ATOM 299 CG LYS A 20 -10.427 -13.495 5.790 1.00 0.00 C ATOM 300 CD LYS A 20 -11.303 -14.023 4.666 1.00 0.00 C ATOM 301 CE LYS A 20 -10.469 -14.510 3.491 1.00 0.00 C ATOM 302 NZ LYS A 20 -11.121 -15.646 2.781 1.00 0.00 N ATOM 0 H LYS A 20 -10.126 -10.911 8.117 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.436 -12.010 6.236 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.278 -11.779 6.742 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.987 -11.577 5.026 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.385 -13.746 5.590 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.699 -13.984 6.725 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.921 -14.840 5.038 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.981 -13.237 4.332 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.311 -13.688 2.793 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.486 -14.820 3.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.522 -15.949 1.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.249 -16.440 3.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.048 -15.343 2.419 1.00 0.00 H new ATOM 316 N LEU A 21 -8.119 -10.570 4.223 1.00 0.00 N ATOM 317 CA LEU A 21 -7.767 -9.653 3.145 1.00 0.00 C ATOM 318 C LEU A 21 -8.976 -9.367 2.259 1.00 0.00 C ATOM 319 O LEU A 21 -8.949 -8.457 1.430 1.00 0.00 O ATOM 320 CB LEU A 21 -6.631 -10.234 2.303 1.00 0.00 C ATOM 321 CG LEU A 21 -5.215 -9.836 2.722 1.00 0.00 C ATOM 322 CD1 LEU A 21 -4.190 -10.416 1.759 1.00 0.00 C ATOM 323 CD2 LEU A 21 -5.086 -8.321 2.792 1.00 0.00 C ATOM 0 H LEU A 21 -7.662 -11.480 4.167 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.436 -8.716 3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.705 -11.321 2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.781 -9.930 1.267 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.022 -10.244 3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.188 -10.122 2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.266 -11.503 1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.380 -10.039 0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.072 -8.056 3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.299 -7.892 1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.794 -7.929 3.522 1.00 0.00 H new ATOM 335 N SER A 22 -10.035 -10.149 2.440 1.00 0.00 N ATOM 336 CA SER A 22 -11.253 -9.980 1.657 1.00 0.00 C ATOM 337 C SER A 22 -12.317 -9.235 2.458 1.00 0.00 C ATOM 338 O SER A 22 -13.278 -8.708 1.897 1.00 0.00 O ATOM 339 CB SER A 22 -11.793 -11.342 1.214 1.00 0.00 C ATOM 340 OG SER A 22 -12.045 -11.363 -0.180 1.00 0.00 O ATOM 0 H SER A 22 -10.074 -10.906 3.122 1.00 0.00 H new ATOM 0 HA SER A 22 -11.008 -9.389 0.775 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.075 -12.121 1.468 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.712 -11.566 1.756 1.00 0.00 H new ATOM 0 HG SER A 22 -12.387 -12.244 -0.437 1.00 0.00 H new ATOM 346 N THR A 23 -12.136 -9.194 3.774 1.00 0.00 N ATOM 347 CA THR A 23 -13.079 -8.516 4.654 1.00 0.00 C ATOM 348 C THR A 23 -12.781 -7.023 4.732 1.00 0.00 C ATOM 349 O THR A 23 -13.047 -6.380 5.747 1.00 0.00 O ATOM 350 CB THR A 23 -13.049 -9.110 6.075 1.00 0.00 C ATOM 351 OG1 THR A 23 -12.998 -10.539 6.008 1.00 0.00 O ATOM 352 CG2 THR A 23 -14.273 -8.677 6.868 1.00 0.00 C ATOM 0 H THR A 23 -11.345 -9.623 4.254 1.00 0.00 H new ATOM 0 HA THR A 23 -14.071 -8.664 4.228 1.00 0.00 H new ATOM 0 HB THR A 23 -12.158 -8.739 6.581 1.00 0.00 H new ATOM 0 HG1 THR A 23 -13.294 -10.917 6.862 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.230 -9.109 7.868 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.292 -7.590 6.942 1.00 0.00 H new ATOM 0 HG23 THR A 23 -15.175 -9.022 6.362 1.00 0.00 H new ATOM 360 N ALA A 24 -12.227 -6.477 3.654 1.00 0.00 N ATOM 361 CA ALA A 24 -11.896 -5.059 3.600 1.00 0.00 C ATOM 362 C ALA A 24 -11.076 -4.641 4.816 1.00 0.00 C ATOM 363 O ALA A 24 -10.834 -5.442 5.720 1.00 0.00 O ATOM 364 CB ALA A 24 -13.164 -4.224 3.504 1.00 0.00 C ATOM 0 H ALA A 24 -11.998 -6.996 2.806 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.292 -4.886 2.709 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.901 -3.167 3.464 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.711 -4.496 2.601 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.789 -4.410 4.377 1.00 0.00 H new ATOM 370 N SER A 25 -10.650 -3.382 4.832 1.00 0.00 N ATOM 371 CA SER A 25 -9.854 -2.858 5.936 1.00 0.00 C ATOM 372 C SER A 25 -10.686 -2.766 7.212 1.00 0.00 C ATOM 373 O SER A 25 -11.890 -2.519 7.164 1.00 0.00 O ATOM 374 CB SER A 25 -9.293 -1.481 5.579 1.00 0.00 C ATOM 375 OG SER A 25 -8.358 -1.043 6.551 1.00 0.00 O ATOM 0 H SER A 25 -10.843 -2.706 4.093 1.00 0.00 H new ATOM 0 HA SER A 25 -9.027 -3.545 6.112 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.813 -1.523 4.601 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.108 -0.761 5.504 1.00 0.00 H new ATOM 0 HG SER A 25 -8.394 -0.066 6.623 1.00 0.00 H new ATOM 381 N GLY A 26 -10.034 -2.969 8.353 1.00 0.00 N ATOM 382 CA GLY A 26 -10.728 -2.905 9.625 1.00 0.00 C ATOM 383 C GLY A 26 -10.857 -1.487 10.145 1.00 0.00 C ATOM 384 O GLY A 26 -11.728 -1.196 10.965 1.00 0.00 O ATOM 0 H GLY A 26 -9.038 -3.177 8.419 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.721 -3.340 9.516 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.194 -3.510 10.358 1.00 0.00 H new ATOM 388 N TYR A 27 -9.988 -0.603 9.668 1.00 0.00 N ATOM 389 CA TYR A 27 -10.007 0.792 10.093 1.00 0.00 C ATOM 390 C TYR A 27 -10.824 1.645 9.127 1.00 0.00 C ATOM 391 O TYR A 27 -10.890 2.866 9.263 1.00 0.00 O ATOM 392 CB TYR A 27 -8.580 1.336 10.189 1.00 0.00 C ATOM 393 CG TYR A 27 -7.707 0.578 11.163 1.00 0.00 C ATOM 394 CD1 TYR A 27 -8.233 0.059 12.339 1.00 0.00 C ATOM 395 CD2 TYR A 27 -6.355 0.381 10.907 1.00 0.00 C ATOM 396 CE1 TYR A 27 -7.440 -0.634 13.232 1.00 0.00 C ATOM 397 CE2 TYR A 27 -5.555 -0.312 11.794 1.00 0.00 C ATOM 398 CZ TYR A 27 -6.101 -0.818 12.955 1.00 0.00 C ATOM 399 OH TYR A 27 -5.306 -1.507 13.841 1.00 0.00 O ATOM 0 H TYR A 27 -9.262 -0.827 8.987 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.475 0.840 11.076 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.121 1.303 9.201 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.619 2.383 10.488 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.281 0.200 12.559 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.923 0.776 10.000 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.866 -1.030 14.142 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.507 -0.457 11.580 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.390 -1.548 13.495 1.00 0.00 H new ATOM 409 N SER A 28 -11.447 0.991 8.152 1.00 0.00 N ATOM 410 CA SER A 28 -12.259 1.687 7.162 1.00 0.00 C ATOM 411 C SER A 28 -13.122 2.759 7.822 1.00 0.00 C ATOM 412 O SER A 28 -13.540 3.720 7.177 1.00 0.00 O ATOM 413 CB SER A 28 -13.146 0.694 6.407 1.00 0.00 C ATOM 414 OG SER A 28 -14.399 1.272 6.086 1.00 0.00 O ATOM 0 H SER A 28 -11.405 -0.020 8.027 1.00 0.00 H new ATOM 0 HA SER A 28 -11.587 2.172 6.454 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.644 0.375 5.493 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.298 -0.198 7.015 1.00 0.00 H new ATOM 0 HG SER A 28 -14.947 0.618 5.603 1.00 0.00 H new ATOM 420 N ASP A 29 -13.386 2.584 9.112 1.00 0.00 N ATOM 421 CA ASP A 29 -14.199 3.534 9.862 1.00 0.00 C ATOM 422 C ASP A 29 -13.320 4.454 10.704 1.00 0.00 C ATOM 423 O ASP A 29 -13.603 5.644 10.842 1.00 0.00 O ATOM 424 CB ASP A 29 -15.190 2.793 10.759 1.00 0.00 C ATOM 425 CG ASP A 29 -16.632 3.055 10.371 1.00 0.00 C ATOM 426 OD1 ASP A 29 -17.499 3.054 11.269 1.00 0.00 O ATOM 427 OD2 ASP A 29 -16.893 3.263 9.167 1.00 0.00 O ATOM 0 H ASP A 29 -13.049 1.793 9.660 1.00 0.00 H new ATOM 0 HA ASP A 29 -14.754 4.144 9.149 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -14.992 1.722 10.707 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -15.035 3.096 11.794 1.00 0.00 H new ATOM 432 N VAL A 30 -12.254 3.894 11.267 1.00 0.00 N ATOM 433 CA VAL A 30 -11.334 4.664 12.096 1.00 0.00 C ATOM 434 C VAL A 30 -10.674 5.780 11.294 1.00 0.00 C ATOM 435 O VAL A 30 -10.918 6.962 11.537 1.00 0.00 O ATOM 436 CB VAL A 30 -10.239 3.766 12.702 1.00 0.00 C ATOM 437 CG1 VAL A 30 -9.159 4.610 13.360 1.00 0.00 C ATOM 438 CG2 VAL A 30 -10.844 2.787 13.698 1.00 0.00 C ATOM 0 H VAL A 30 -12.006 2.910 11.164 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.924 5.100 12.902 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.778 3.193 11.898 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.394 3.958 13.782 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.706 5.266 12.616 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.601 5.212 14.154 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.056 2.160 14.116 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.333 3.340 14.500 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.577 2.159 13.191 1.00 0.00 H new ATOM 448 N THR A 31 -9.837 5.396 10.335 1.00 0.00 N ATOM 449 CA THR A 31 -9.141 6.364 9.496 1.00 0.00 C ATOM 450 C THR A 31 -10.127 7.253 8.747 1.00 0.00 C ATOM 451 O THR A 31 -11.248 7.476 9.205 1.00 0.00 O ATOM 452 CB THR A 31 -8.221 5.665 8.478 1.00 0.00 C ATOM 453 OG1 THR A 31 -8.997 5.139 7.396 1.00 0.00 O ATOM 454 CG2 THR A 31 -7.435 4.543 9.139 1.00 0.00 C ATOM 0 H THR A 31 -9.625 4.422 10.120 1.00 0.00 H new ATOM 0 HA THR A 31 -8.534 6.980 10.160 1.00 0.00 H new ATOM 0 HB THR A 31 -7.516 6.402 8.093 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.561 5.355 6.545 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.792 4.064 8.400 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.822 4.952 9.942 1.00 0.00 H new ATOM 0 HG23 THR A 31 -8.126 3.807 9.549 1.00 0.00 H new ATOM 517 N LEU A 36 -8.139 5.421 -1.071 1.00 0.00 N ATOM 518 CA LEU A 36 -7.977 3.986 -1.283 1.00 0.00 C ATOM 519 C LEU A 36 -9.332 3.287 -1.330 1.00 0.00 C ATOM 520 O LEU A 36 -9.506 2.298 -2.041 1.00 0.00 O ATOM 521 CB LEU A 36 -7.115 3.381 -0.174 1.00 0.00 C ATOM 522 CG LEU A 36 -5.744 4.024 0.038 1.00 0.00 C ATOM 523 CD1 LEU A 36 -5.185 3.653 1.402 1.00 0.00 C ATOM 524 CD2 LEU A 36 -4.783 3.607 -1.066 1.00 0.00 C ATOM 0 HA LEU A 36 -7.480 3.838 -2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.670 3.439 0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.968 2.323 -0.392 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.862 5.107 -0.000 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.209 4.120 1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.863 4.003 2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.081 2.570 1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.812 4.074 -0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.670 2.523 -1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.177 3.925 -2.031 1.00 0.00 H new ATOM 536 N GLY A 37 -10.289 3.808 -0.569 1.00 0.00 N ATOM 537 CA GLY A 37 -11.615 3.222 -0.540 1.00 0.00 C ATOM 538 C GLY A 37 -11.667 1.943 0.273 1.00 0.00 C ATOM 539 O GLY A 37 -12.654 1.209 0.227 1.00 0.00 O ATOM 0 H GLY A 37 -10.169 4.626 0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.318 3.943 -0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.939 3.014 -1.560 1.00 0.00 H new ATOM 543 N SER A 38 -10.599 1.675 1.018 1.00 0.00 N ATOM 544 CA SER A 38 -10.524 0.472 1.840 1.00 0.00 C ATOM 545 C SER A 38 -11.173 -0.713 1.130 1.00 0.00 C ATOM 546 O SER A 38 -12.306 -1.088 1.432 1.00 0.00 O ATOM 547 CB SER A 38 -11.207 0.708 3.189 1.00 0.00 C ATOM 548 OG SER A 38 -12.383 1.483 3.038 1.00 0.00 O ATOM 0 H SER A 38 -9.775 2.274 1.069 1.00 0.00 H new ATOM 0 HA SER A 38 -9.472 0.241 2.008 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.455 -0.250 3.646 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.518 1.215 3.865 1.00 0.00 H new ATOM 0 HG SER A 38 -12.942 1.096 2.332 1.00 0.00 H new ATOM 554 N LEU A 39 -10.444 -1.298 0.185 1.00 0.00 N ATOM 555 CA LEU A 39 -10.947 -2.441 -0.569 1.00 0.00 C ATOM 556 C LEU A 39 -9.943 -2.874 -1.633 1.00 0.00 C ATOM 557 O LEU A 39 -9.885 -4.047 -2.004 1.00 0.00 O ATOM 558 CB LEU A 39 -12.285 -2.096 -1.224 1.00 0.00 C ATOM 559 CG LEU A 39 -13.357 -3.185 -1.174 1.00 0.00 C ATOM 560 CD1 LEU A 39 -13.565 -3.665 0.254 1.00 0.00 C ATOM 561 CD2 LEU A 39 -14.665 -2.674 -1.761 1.00 0.00 C ATOM 0 H LEU A 39 -9.504 -1.000 -0.077 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.093 -3.268 0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.682 -1.201 -0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -12.101 -1.843 -2.268 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.017 -4.029 -1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -14.332 -4.440 0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.631 -4.071 0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.882 -2.828 0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -15.416 -3.463 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.009 -1.813 -1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.508 -2.380 -2.799 1.00 0.00 H new ATOM 573 N ALA A 40 -9.155 -1.921 -2.118 1.00 0.00 N ATOM 574 CA ALA A 40 -8.150 -2.205 -3.136 1.00 0.00 C ATOM 575 C ALA A 40 -6.894 -2.806 -2.515 1.00 0.00 C ATOM 576 O ALA A 40 -6.131 -2.115 -1.841 1.00 0.00 O ATOM 577 CB ALA A 40 -7.806 -0.939 -3.906 1.00 0.00 C ATOM 0 H ALA A 40 -9.193 -0.945 -1.823 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.567 -2.936 -3.828 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.055 -1.166 -4.662 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.703 -0.552 -4.390 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.413 -0.190 -3.218 1.00 0.00 H new ATOM 583 N VAL A 41 -6.685 -4.099 -2.747 1.00 0.00 N ATOM 584 CA VAL A 41 -5.521 -4.793 -2.210 1.00 0.00 C ATOM 585 C VAL A 41 -4.257 -4.420 -2.976 1.00 0.00 C ATOM 586 O VAL A 41 -4.165 -4.636 -4.184 1.00 0.00 O ATOM 587 CB VAL A 41 -5.706 -6.321 -2.260 1.00 0.00 C ATOM 588 CG1 VAL A 41 -4.738 -7.008 -1.310 1.00 0.00 C ATOM 589 CG2 VAL A 41 -7.144 -6.694 -1.932 1.00 0.00 C ATOM 0 H VAL A 41 -7.307 -4.686 -3.303 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.418 -4.481 -1.171 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.488 -6.663 -3.272 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.884 -8.087 -1.359 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.714 -6.767 -1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.921 -6.663 -0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.257 -7.777 -1.972 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.393 -6.340 -0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.814 -6.232 -2.657 1.00 0.00 H new ATOM 599 N GLY A 42 -3.284 -3.858 -2.265 1.00 0.00 N ATOM 600 CA GLY A 42 -2.038 -3.464 -2.895 1.00 0.00 C ATOM 601 C GLY A 42 -0.829 -4.106 -2.242 1.00 0.00 C ATOM 602 O GLY A 42 -0.705 -4.109 -1.017 1.00 0.00 O ATOM 0 H GLY A 42 -3.337 -3.669 -1.264 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.065 -3.738 -3.950 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.939 -2.380 -2.849 1.00 0.00 H new ATOM 606 N HIS A 43 0.062 -4.654 -3.062 1.00 0.00 N ATOM 607 CA HIS A 43 1.267 -5.304 -2.557 1.00 0.00 C ATOM 608 C HIS A 43 2.499 -4.442 -2.816 1.00 0.00 C ATOM 609 O HIS A 43 2.784 -4.076 -3.957 1.00 0.00 O ATOM 610 CB HIS A 43 1.443 -6.676 -3.209 1.00 0.00 C ATOM 611 CG HIS A 43 2.079 -6.618 -4.563 1.00 0.00 C ATOM 612 ND1 HIS A 43 3.278 -7.230 -4.857 1.00 0.00 N ATOM 613 CD2 HIS A 43 1.674 -6.016 -5.707 1.00 0.00 C ATOM 614 CE1 HIS A 43 3.586 -7.007 -6.124 1.00 0.00 C ATOM 615 NE2 HIS A 43 2.628 -6.273 -6.660 1.00 0.00 N ATOM 0 H HIS A 43 -0.027 -4.661 -4.078 1.00 0.00 H new ATOM 0 HA HIS A 43 1.156 -5.433 -1.480 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.051 -7.303 -2.557 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.468 -7.156 -3.295 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.770 -5.441 -5.844 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.469 -7.364 -6.633 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.601 -5.949 -7.627 1.00 0.00 H new ATOM 623 N LEU A 44 3.225 -4.121 -1.751 1.00 0.00 N ATOM 624 CA LEU A 44 4.426 -3.301 -1.863 1.00 0.00 C ATOM 625 C LEU A 44 5.487 -4.002 -2.706 1.00 0.00 C ATOM 626 O LEU A 44 6.260 -4.816 -2.200 1.00 0.00 O ATOM 627 CB LEU A 44 4.986 -2.990 -0.474 1.00 0.00 C ATOM 628 CG LEU A 44 5.280 -1.518 -0.184 1.00 0.00 C ATOM 629 CD1 LEU A 44 4.781 -1.136 1.201 1.00 0.00 C ATOM 630 CD2 LEU A 44 6.770 -1.235 -0.312 1.00 0.00 C ATOM 0 H LEU A 44 3.003 -4.416 -0.800 1.00 0.00 H new ATOM 0 HA LEU A 44 4.154 -2.368 -2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.278 -3.352 0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.907 -3.557 -0.340 1.00 0.00 H new ATOM 0 HG LEU A 44 4.751 -0.911 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.999 -0.085 1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.705 -1.299 1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.281 -1.750 1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.960 -0.182 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.320 -1.852 0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.099 -1.468 -1.325 1.00 0.00 H new ATOM 642 N THR A 45 5.520 -3.679 -3.996 1.00 0.00 N ATOM 643 CA THR A 45 6.487 -4.276 -4.909 1.00 0.00 C ATOM 644 C THR A 45 7.846 -4.442 -4.239 1.00 0.00 C ATOM 645 O THR A 45 8.635 -5.309 -4.617 1.00 0.00 O ATOM 646 CB THR A 45 6.654 -3.428 -6.183 1.00 0.00 C ATOM 647 OG1 THR A 45 7.959 -3.629 -6.737 1.00 0.00 O ATOM 648 CG2 THR A 45 6.449 -1.951 -5.880 1.00 0.00 C ATOM 0 H THR A 45 4.888 -3.007 -4.431 1.00 0.00 H new ATOM 0 HA THR A 45 6.099 -5.257 -5.184 1.00 0.00 H new ATOM 0 HB THR A 45 5.900 -3.743 -6.905 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.057 -3.088 -7.548 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.572 -1.371 -6.795 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.445 -1.797 -5.485 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.183 -1.625 -5.143 1.00 0.00 H new ATOM 656 N LYS A 46 8.116 -3.606 -3.243 1.00 0.00 N ATOM 657 CA LYS A 46 9.379 -3.660 -2.517 1.00 0.00 C ATOM 658 C LYS A 46 9.644 -5.067 -1.990 1.00 0.00 C ATOM 659 O LYS A 46 10.715 -5.632 -2.210 1.00 0.00 O ATOM 660 CB LYS A 46 9.369 -2.662 -1.358 1.00 0.00 C ATOM 661 CG LYS A 46 10.730 -2.468 -0.710 1.00 0.00 C ATOM 662 CD LYS A 46 11.732 -1.872 -1.684 1.00 0.00 C ATOM 663 CE LYS A 46 12.997 -2.712 -1.765 1.00 0.00 C ATOM 664 NZ LYS A 46 12.990 -3.611 -2.953 1.00 0.00 N ATOM 0 H LYS A 46 7.475 -2.881 -2.919 1.00 0.00 H new ATOM 0 HA LYS A 46 10.178 -3.394 -3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.008 -1.700 -1.721 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.661 -3.003 -0.602 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.631 -1.815 0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.101 -3.426 -0.346 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.280 -1.797 -2.673 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.986 -0.859 -1.372 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.866 -2.056 -1.811 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.095 -3.309 -0.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.915 -4.079 -3.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.247 -4.330 -2.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.803 -3.052 -3.810 1.00 0.00 H new ATOM 678 N CYS A 47 8.661 -5.625 -1.292 1.00 0.00 N ATOM 679 CA CYS A 47 8.787 -6.966 -0.733 1.00 0.00 C ATOM 680 C CYS A 47 7.703 -7.888 -1.283 1.00 0.00 C ATOM 681 O CYS A 47 7.934 -9.079 -1.492 1.00 0.00 O ATOM 682 CB CYS A 47 8.702 -6.915 0.794 1.00 0.00 C ATOM 683 SG CYS A 47 7.039 -6.532 1.433 1.00 0.00 S ATOM 0 H CYS A 47 7.769 -5.170 -1.100 1.00 0.00 H new ATOM 0 HA CYS A 47 9.760 -7.364 -1.023 1.00 0.00 H new ATOM 0 HB2 CYS A 47 9.022 -7.876 1.197 1.00 0.00 H new ATOM 0 HB3 CYS A 47 9.403 -6.165 1.162 1.00 0.00 H new ATOM 0 HG CYS A 47 6.662 -5.369 0.991 1.00 0.00 H new ATOM 688 N SER A 48 6.519 -7.329 -1.516 1.00 0.00 N ATOM 689 CA SER A 48 5.398 -8.102 -2.038 1.00 0.00 C ATOM 690 C SER A 48 4.807 -9.001 -0.956 1.00 0.00 C ATOM 691 O SER A 48 5.013 -10.215 -0.962 1.00 0.00 O ATOM 692 CB SER A 48 5.846 -8.947 -3.232 1.00 0.00 C ATOM 693 OG SER A 48 6.677 -8.199 -4.103 1.00 0.00 O ATOM 0 H SER A 48 6.312 -6.344 -1.351 1.00 0.00 H new ATOM 0 HA SER A 48 4.628 -7.404 -2.365 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.383 -9.827 -2.878 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.972 -9.305 -3.776 1.00 0.00 H new ATOM 0 HG SER A 48 6.951 -8.762 -4.857 1.00 0.00 H new ATOM 699 N HIS A 49 4.073 -8.396 -0.029 1.00 0.00 N ATOM 700 CA HIS A 49 3.451 -9.142 1.060 1.00 0.00 C ATOM 701 C HIS A 49 1.929 -9.069 0.969 1.00 0.00 C ATOM 702 O HIS A 49 1.226 -9.958 1.447 1.00 0.00 O ATOM 703 CB HIS A 49 3.918 -8.598 2.411 1.00 0.00 C ATOM 704 CG HIS A 49 5.316 -9.000 2.766 1.00 0.00 C ATOM 705 ND1 HIS A 49 5.855 -8.815 4.022 1.00 0.00 N ATOM 706 CD2 HIS A 49 6.287 -9.582 2.024 1.00 0.00 C ATOM 707 CE1 HIS A 49 7.098 -9.265 4.035 1.00 0.00 C ATOM 708 NE2 HIS A 49 7.384 -9.736 2.835 1.00 0.00 N ATOM 0 H HIS A 49 3.894 -7.392 -0.009 1.00 0.00 H new ATOM 0 HA HIS A 49 3.754 -10.185 0.972 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.854 -7.510 2.397 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.239 -8.948 3.189 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.213 -9.872 0.986 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.766 -9.250 4.883 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.275 -10.147 2.556 1.00 0.00 H new ATOM 716 N ALA A 50 1.428 -8.005 0.350 1.00 0.00 N ATOM 717 CA ALA A 50 -0.009 -7.818 0.194 1.00 0.00 C ATOM 718 C ALA A 50 -0.666 -7.480 1.528 1.00 0.00 C ATOM 719 O ALA A 50 -0.277 -8.002 2.573 1.00 0.00 O ATOM 720 CB ALA A 50 -0.642 -9.063 -0.408 1.00 0.00 C ATOM 0 H ALA A 50 1.996 -7.259 -0.052 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.170 -6.979 -0.484 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.715 -8.908 -0.518 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.201 -9.259 -1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.464 -9.915 0.248 1.00 0.00 H new ATOM 726 N PHE A 51 -1.663 -6.603 1.486 1.00 0.00 N ATOM 727 CA PHE A 51 -2.374 -6.194 2.693 1.00 0.00 C ATOM 728 C PHE A 51 -3.484 -5.201 2.360 1.00 0.00 C ATOM 729 O PHE A 51 -3.819 -4.996 1.192 1.00 0.00 O ATOM 730 CB PHE A 51 -1.401 -5.571 3.696 1.00 0.00 C ATOM 731 CG PHE A 51 -0.019 -5.368 3.144 1.00 0.00 C ATOM 732 CD1 PHE A 51 0.166 -4.802 1.893 1.00 0.00 C ATOM 733 CD2 PHE A 51 1.096 -5.744 3.877 1.00 0.00 C ATOM 734 CE1 PHE A 51 1.437 -4.613 1.383 1.00 0.00 C ATOM 735 CE2 PHE A 51 2.369 -5.558 3.372 1.00 0.00 C ATOM 736 CZ PHE A 51 2.539 -4.993 2.123 1.00 0.00 C ATOM 0 H PHE A 51 -1.998 -6.161 0.630 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.825 -7.081 3.138 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.797 -4.610 4.025 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.341 -6.210 4.577 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -0.693 -4.505 1.309 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.968 -6.187 4.854 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.568 -4.169 0.407 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.230 -5.854 3.953 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.533 -4.849 1.726 1.00 0.00 H new ATOM 746 N HIS A 52 -4.051 -4.588 3.394 1.00 0.00 N ATOM 747 CA HIS A 52 -5.123 -3.616 3.213 1.00 0.00 C ATOM 748 C HIS A 52 -4.557 -2.223 2.963 1.00 0.00 C ATOM 749 O HIS A 52 -4.237 -1.493 3.903 1.00 0.00 O ATOM 750 CB HIS A 52 -6.035 -3.597 4.440 1.00 0.00 C ATOM 751 CG HIS A 52 -6.956 -4.776 4.521 1.00 0.00 C ATOM 752 ND1 HIS A 52 -7.491 -5.232 5.706 1.00 0.00 N ATOM 753 CD2 HIS A 52 -7.439 -5.590 3.553 1.00 0.00 C ATOM 754 CE1 HIS A 52 -8.261 -6.279 5.465 1.00 0.00 C ATOM 755 NE2 HIS A 52 -8.247 -6.516 4.166 1.00 0.00 N ATOM 0 H HIS A 52 -3.786 -4.747 4.366 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.706 -3.913 2.341 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -5.420 -3.565 5.339 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.629 -2.683 4.427 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -7.320 -4.825 6.626 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.228 -5.524 2.496 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -8.808 -6.844 6.205 1.00 0.00 H new ATOM 763 N LEU A 53 -4.434 -1.858 1.691 1.00 0.00 N ATOM 764 CA LEU A 53 -3.906 -0.550 1.317 1.00 0.00 C ATOM 765 C LEU A 53 -4.337 0.517 2.316 1.00 0.00 C ATOM 766 O LEU A 53 -3.620 1.491 2.550 1.00 0.00 O ATOM 767 CB LEU A 53 -4.376 -0.172 -0.088 1.00 0.00 C ATOM 768 CG LEU A 53 -3.568 -0.756 -1.247 1.00 0.00 C ATOM 769 CD1 LEU A 53 -3.911 -0.046 -2.548 1.00 0.00 C ATOM 770 CD2 LEU A 53 -2.076 -0.656 -0.961 1.00 0.00 C ATOM 0 H LEU A 53 -4.693 -2.449 0.901 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.818 -0.608 1.325 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.413 -0.488 -0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.363 0.915 -0.174 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.828 -1.809 -1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.326 -0.475 -3.362 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.973 -0.169 -2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.680 1.015 -2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.516 -1.076 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.800 0.390 -0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.842 -1.210 -0.052 1.00 0.00 H new ATOM 782 N LEU A 54 -5.513 0.328 2.906 1.00 0.00 N ATOM 783 CA LEU A 54 -6.040 1.274 3.882 1.00 0.00 C ATOM 784 C LEU A 54 -5.226 1.238 5.171 1.00 0.00 C ATOM 785 O LEU A 54 -4.620 2.236 5.564 1.00 0.00 O ATOM 786 CB LEU A 54 -7.507 0.962 4.184 1.00 0.00 C ATOM 787 CG LEU A 54 -8.278 2.035 4.955 1.00 0.00 C ATOM 788 CD1 LEU A 54 -7.431 2.585 6.093 1.00 0.00 C ATOM 789 CD2 LEU A 54 -8.711 3.155 4.021 1.00 0.00 C ATOM 0 H LEU A 54 -6.119 -0.472 2.725 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.967 2.275 3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.021 0.782 3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.550 0.033 4.753 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.172 1.579 5.381 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.995 3.347 6.631 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.170 1.777 6.776 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.520 3.026 5.688 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.258 3.909 4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.831 3.610 3.566 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.354 2.749 3.240 1.00 0.00 H new ATOM 801 N CYS A 55 -5.212 0.081 5.824 1.00 0.00 N ATOM 802 CA CYS A 55 -4.469 -0.088 7.068 1.00 0.00 C ATOM 803 C CYS A 55 -3.036 0.415 6.917 1.00 0.00 C ATOM 804 O CYS A 55 -2.623 1.358 7.593 1.00 0.00 O ATOM 805 CB CYS A 55 -4.464 -1.558 7.487 1.00 0.00 C ATOM 806 SG CYS A 55 -6.106 -2.210 7.935 1.00 0.00 S ATOM 0 H CYS A 55 -5.707 -0.755 5.512 1.00 0.00 H new ATOM 0 HA CYS A 55 -4.963 0.501 7.841 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.058 -2.156 6.671 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -3.792 -1.680 8.337 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.029 -1.450 7.424 1.00 0.00 H new ATOM 811 N LEU A 56 -2.282 -0.222 6.028 1.00 0.00 N ATOM 812 CA LEU A 56 -0.895 0.160 5.788 1.00 0.00 C ATOM 813 C LEU A 56 -0.739 1.677 5.790 1.00 0.00 C ATOM 814 O LEU A 56 0.107 2.224 6.500 1.00 0.00 O ATOM 815 CB LEU A 56 -0.410 -0.412 4.455 1.00 0.00 C ATOM 816 CG LEU A 56 -0.559 -1.924 4.279 1.00 0.00 C ATOM 817 CD1 LEU A 56 -0.652 -2.612 5.632 1.00 0.00 C ATOM 818 CD2 LEU A 56 -1.781 -2.245 3.431 1.00 0.00 C ATOM 0 H LEU A 56 -2.608 -1.005 5.462 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.287 -0.250 6.595 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.955 0.083 3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.642 -0.154 4.333 1.00 0.00 H new ATOM 0 HG LEU A 56 0.325 -2.299 3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.758 -3.687 5.487 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.253 -2.410 6.206 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.518 -2.232 6.175 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.871 -3.325 3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.675 -1.856 3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.674 -1.784 2.449 1.00 0.00 H new ATOM 830 N LEU A 57 -1.561 2.352 4.995 1.00 0.00 N ATOM 831 CA LEU A 57 -1.517 3.807 4.907 1.00 0.00 C ATOM 832 C LEU A 57 -1.421 4.435 6.293 1.00 0.00 C ATOM 833 O LEU A 57 -0.495 5.192 6.580 1.00 0.00 O ATOM 834 CB LEU A 57 -2.758 4.331 4.181 1.00 0.00 C ATOM 835 CG LEU A 57 -2.523 5.471 3.188 1.00 0.00 C ATOM 836 CD1 LEU A 57 -3.809 6.251 2.959 1.00 0.00 C ATOM 837 CD2 LEU A 57 -1.419 6.391 3.684 1.00 0.00 C ATOM 0 H LEU A 57 -2.266 1.915 4.402 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.628 4.085 4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.220 3.500 3.647 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.476 4.669 4.928 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.209 5.041 2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.624 7.058 2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.573 5.584 2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.153 6.670 3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.266 7.196 2.965 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.703 6.814 4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.495 5.823 3.796 1.00 0.00 H new ATOM 849 N ALA A 58 -2.385 4.112 7.151 1.00 0.00 N ATOM 850 CA ALA A 58 -2.406 4.640 8.509 1.00 0.00 C ATOM 851 C ALA A 58 -1.135 4.268 9.263 1.00 0.00 C ATOM 852 O ALA A 58 -0.432 5.136 9.780 1.00 0.00 O ATOM 853 CB ALA A 58 -3.632 4.132 9.254 1.00 0.00 C ATOM 0 H ALA A 58 -3.160 3.488 6.929 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.456 5.727 8.448 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.635 4.534 10.267 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.534 4.454 8.733 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.607 3.043 9.296 1.00 0.00 H new ATOM 859 N MET A 59 -0.846 2.973 9.324 1.00 0.00 N ATOM 860 CA MET A 59 0.343 2.486 10.015 1.00 0.00 C ATOM 861 C MET A 59 1.611 2.992 9.337 1.00 0.00 C ATOM 862 O MET A 59 2.697 2.951 9.918 1.00 0.00 O ATOM 863 CB MET A 59 0.346 0.957 10.054 1.00 0.00 C ATOM 864 CG MET A 59 1.239 0.378 11.140 1.00 0.00 C ATOM 865 SD MET A 59 2.347 -0.901 10.519 1.00 0.00 S ATOM 866 CE MET A 59 2.987 -0.110 9.046 1.00 0.00 C ATOM 0 H MET A 59 -1.419 2.241 8.903 1.00 0.00 H new ATOM 0 HA MET A 59 0.321 2.868 11.036 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.674 0.604 10.207 1.00 0.00 H new ATOM 0 HB3 MET A 59 0.673 0.578 9.086 1.00 0.00 H new ATOM 0 HG2 MET A 59 1.829 1.179 11.586 1.00 0.00 H new ATOM 0 HG3 MET A 59 0.617 -0.039 11.932 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.826 -0.688 8.658 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.202 -0.057 8.291 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.323 0.898 9.291 1.00 0.00 H new ATOM 876 N TYR A 60 1.469 3.469 8.106 1.00 0.00 N ATOM 877 CA TYR A 60 2.605 3.981 7.348 1.00 0.00 C ATOM 878 C TYR A 60 3.096 5.303 7.929 1.00 0.00 C ATOM 879 O TYR A 60 4.191 5.766 7.609 1.00 0.00 O ATOM 880 CB TYR A 60 2.222 4.167 5.878 1.00 0.00 C ATOM 881 CG TYR A 60 2.534 5.546 5.341 1.00 0.00 C ATOM 882 CD1 TYR A 60 1.944 6.677 5.893 1.00 0.00 C ATOM 883 CD2 TYR A 60 3.417 5.717 4.283 1.00 0.00 C ATOM 884 CE1 TYR A 60 2.225 7.939 5.405 1.00 0.00 C ATOM 885 CE2 TYR A 60 3.705 6.975 3.790 1.00 0.00 C ATOM 886 CZ TYR A 60 3.106 8.083 4.354 1.00 0.00 C ATOM 887 OH TYR A 60 3.389 9.337 3.865 1.00 0.00 O ATOM 0 H TYR A 60 0.578 3.512 7.611 1.00 0.00 H new ATOM 0 HA TYR A 60 3.413 3.253 7.416 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.748 3.425 5.277 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.156 3.974 5.762 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.254 6.568 6.717 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.886 4.852 3.838 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.757 8.808 5.844 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.395 7.091 2.968 1.00 0.00 H new ATOM 0 HH TYR A 60 4.029 9.263 3.126 1.00 0.00 H new ATOM 897 N CYS A 61 2.278 5.907 8.784 1.00 0.00 N ATOM 898 CA CYS A 61 2.627 7.177 9.411 1.00 0.00 C ATOM 899 C CYS A 61 3.907 7.044 10.230 1.00 0.00 C ATOM 900 O CYS A 61 4.465 8.039 10.691 1.00 0.00 O ATOM 901 CB CYS A 61 1.483 7.660 10.303 1.00 0.00 C ATOM 902 SG CYS A 61 1.132 6.576 11.706 1.00 0.00 S ATOM 0 H CYS A 61 1.368 5.537 9.059 1.00 0.00 H new ATOM 0 HA CYS A 61 2.796 7.910 8.622 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.724 8.655 10.678 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.581 7.757 9.698 1.00 0.00 H new ATOM 0 HG CYS A 61 0.416 5.567 11.306 1.00 0.00 H new ATOM 908 N ASN A 62 4.363 5.810 10.409 1.00 0.00 N ATOM 909 CA ASN A 62 5.577 5.547 11.176 1.00 0.00 C ATOM 910 C ASN A 62 6.804 5.550 10.269 1.00 0.00 C ATOM 911 O ASN A 62 7.821 6.165 10.588 1.00 0.00 O ATOM 912 CB ASN A 62 5.466 4.203 11.899 1.00 0.00 C ATOM 913 CG ASN A 62 6.036 4.255 13.304 1.00 0.00 C ATOM 914 OD1 ASN A 62 7.251 4.217 13.495 1.00 0.00 O ATOM 915 ND2 ASN A 62 5.157 4.343 14.295 1.00 0.00 N ATOM 0 H ASN A 62 3.912 4.976 10.034 1.00 0.00 H new ATOM 0 HA ASN A 62 5.691 6.341 11.914 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.419 3.903 11.945 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.991 3.440 11.325 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.480 4.382 15.262 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.158 4.372 14.090 1.00 0.00 H new ATOM 922 N GLY A 63 6.700 4.859 9.138 1.00 0.00 N ATOM 923 CA GLY A 63 7.807 4.795 8.204 1.00 0.00 C ATOM 924 C GLY A 63 7.350 4.826 6.759 1.00 0.00 C ATOM 925 O GLY A 63 6.164 5.000 6.480 1.00 0.00 O ATOM 0 H GLY A 63 5.868 4.342 8.853 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.481 5.632 8.387 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.376 3.883 8.382 1.00 0.00 H new ATOM 929 N ASN A 64 8.292 4.657 5.837 1.00 0.00 N ATOM 930 CA ASN A 64 7.980 4.669 4.412 1.00 0.00 C ATOM 931 C ASN A 64 7.107 5.869 4.057 1.00 0.00 C ATOM 932 O ASN A 64 6.041 5.721 3.459 1.00 0.00 O ATOM 933 CB ASN A 64 7.270 3.373 4.015 1.00 0.00 C ATOM 934 CG ASN A 64 7.816 2.788 2.726 1.00 0.00 C ATOM 935 OD1 ASN A 64 8.358 3.505 1.886 1.00 0.00 O ATOM 936 ND2 ASN A 64 7.672 1.478 2.564 1.00 0.00 N ATOM 0 H ASN A 64 9.278 4.510 6.051 1.00 0.00 H new ATOM 0 HA ASN A 64 8.917 4.747 3.860 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.377 2.642 4.817 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.203 3.566 3.900 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.018 1.028 1.716 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.216 0.922 3.287 1.00 0.00 H new ATOM 943 N LYS A 65 7.568 7.058 4.429 1.00 0.00 N ATOM 944 CA LYS A 65 6.831 8.286 4.148 1.00 0.00 C ATOM 945 C LYS A 65 7.311 8.923 2.848 1.00 0.00 C ATOM 946 O LYS A 65 8.401 9.494 2.790 1.00 0.00 O ATOM 947 CB LYS A 65 6.992 9.277 5.304 1.00 0.00 C ATOM 948 CG LYS A 65 5.732 9.453 6.133 1.00 0.00 C ATOM 949 CD LYS A 65 5.952 9.032 7.577 1.00 0.00 C ATOM 950 CE LYS A 65 6.236 10.230 8.470 1.00 0.00 C ATOM 951 NZ LYS A 65 7.690 10.549 8.524 1.00 0.00 N ATOM 0 H LYS A 65 8.448 7.198 4.926 1.00 0.00 H new ATOM 0 HA LYS A 65 5.777 8.031 4.040 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.799 8.938 5.953 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.291 10.245 4.903 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.417 10.496 6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.925 8.863 5.700 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.070 8.506 7.942 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.786 8.332 7.630 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.688 11.096 8.101 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.871 10.027 9.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.842 11.371 9.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.211 9.731 8.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.033 10.768 7.567 1.00 0.00 H new ATOM 965 N ASP A 66 6.491 8.822 1.807 1.00 0.00 N ATOM 966 CA ASP A 66 6.831 9.391 0.508 1.00 0.00 C ATOM 967 C ASP A 66 5.596 9.488 -0.383 1.00 0.00 C ATOM 968 O ASP A 66 5.435 10.447 -1.135 1.00 0.00 O ATOM 969 CB ASP A 66 7.905 8.545 -0.178 1.00 0.00 C ATOM 970 CG ASP A 66 9.193 9.312 -0.397 1.00 0.00 C ATOM 971 OD1 ASP A 66 9.130 10.552 -0.536 1.00 0.00 O ATOM 972 OD2 ASP A 66 10.266 8.673 -0.430 1.00 0.00 O ATOM 0 H ASP A 66 5.587 8.352 1.838 1.00 0.00 H new ATOM 0 HA ASP A 66 7.220 10.396 0.670 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.110 7.662 0.428 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.528 8.193 -1.138 1.00 0.00 H new ATOM 977 N GLY A 67 4.727 8.485 -0.291 1.00 0.00 N ATOM 978 CA GLY A 67 3.518 8.476 -1.094 1.00 0.00 C ATOM 979 C GLY A 67 3.028 7.073 -1.388 1.00 0.00 C ATOM 980 O GLY A 67 3.165 6.581 -2.509 1.00 0.00 O ATOM 0 H GLY A 67 4.839 7.680 0.325 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.736 9.029 -0.574 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.706 8.996 -2.033 1.00 0.00 H new ATOM 984 N SER A 68 2.456 6.424 -0.379 1.00 0.00 N ATOM 985 CA SER A 68 1.949 5.065 -0.532 1.00 0.00 C ATOM 986 C SER A 68 1.603 4.458 0.823 1.00 0.00 C ATOM 987 O SER A 68 0.491 4.625 1.327 1.00 0.00 O ATOM 988 CB SER A 68 2.981 4.191 -1.248 1.00 0.00 C ATOM 989 OG SER A 68 2.715 4.122 -2.638 1.00 0.00 O ATOM 0 H SER A 68 2.332 6.817 0.554 1.00 0.00 H new ATOM 0 HA SER A 68 1.041 5.108 -1.133 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.980 4.596 -1.085 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.970 3.188 -0.822 1.00 0.00 H new ATOM 0 HG SER A 68 2.560 5.025 -2.987 1.00 0.00 H new ATOM 995 N LEU A 69 2.563 3.751 1.410 1.00 0.00 N ATOM 996 CA LEU A 69 2.362 3.117 2.708 1.00 0.00 C ATOM 997 C LEU A 69 3.601 2.333 3.129 1.00 0.00 C ATOM 998 O LEU A 69 4.637 2.391 2.468 1.00 0.00 O ATOM 999 CB LEU A 69 1.148 2.189 2.662 1.00 0.00 C ATOM 1000 CG LEU A 69 1.134 1.158 1.532 1.00 0.00 C ATOM 1001 CD1 LEU A 69 0.537 1.760 0.270 1.00 0.00 C ATOM 1002 CD2 LEU A 69 2.539 0.640 1.265 1.00 0.00 C ATOM 0 H LEU A 69 3.488 3.603 1.007 1.00 0.00 H new ATOM 0 HA LEU A 69 2.184 3.901 3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.085 1.658 3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.250 2.802 2.579 1.00 0.00 H new ATOM 0 HG LEU A 69 0.512 0.318 1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.535 1.013 -0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.485 2.081 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.133 2.618 -0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.510 -0.092 0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.184 1.470 0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.931 0.170 2.167 1.00 0.00 H new ATOM 1014 N GLN A 70 3.485 1.600 4.232 1.00 0.00 N ATOM 1015 CA GLN A 70 4.595 0.804 4.740 1.00 0.00 C ATOM 1016 C GLN A 70 4.150 -0.626 5.032 1.00 0.00 C ATOM 1017 O GLN A 70 3.031 -0.858 5.489 1.00 0.00 O ATOM 1018 CB GLN A 70 5.171 1.440 6.005 1.00 0.00 C ATOM 1019 CG GLN A 70 6.183 0.561 6.723 1.00 0.00 C ATOM 1020 CD GLN A 70 7.613 0.888 6.341 1.00 0.00 C ATOM 1021 OE1 GLN A 70 8.152 1.922 6.738 1.00 0.00 O ATOM 1022 NE2 GLN A 70 8.238 0.007 5.569 1.00 0.00 N ATOM 0 H GLN A 70 2.633 1.541 4.790 1.00 0.00 H new ATOM 0 HA GLN A 70 5.369 0.775 3.973 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.646 2.385 5.742 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.355 1.672 6.689 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.062 0.679 7.800 1.00 0.00 H new ATOM 0 HG3 GLN A 70 5.979 -0.485 6.492 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.754 -0.837 5.263 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.202 0.174 5.282 1.00 0.00 H new ATOM 1031 N CYS A 71 5.034 -1.582 4.765 1.00 0.00 N ATOM 1032 CA CYS A 71 4.733 -2.989 4.999 1.00 0.00 C ATOM 1033 C CYS A 71 4.818 -3.325 6.485 1.00 0.00 C ATOM 1034 O CYS A 71 5.891 -3.321 7.087 1.00 0.00 O ATOM 1035 CB CYS A 71 5.698 -3.877 4.209 1.00 0.00 C ATOM 1036 SG CYS A 71 5.698 -5.622 4.729 1.00 0.00 S ATOM 0 H CYS A 71 5.965 -1.407 4.386 1.00 0.00 H new ATOM 0 HA CYS A 71 3.714 -3.177 4.660 1.00 0.00 H new ATOM 0 HB2 CYS A 71 5.440 -3.824 3.151 1.00 0.00 H new ATOM 0 HB3 CYS A 71 6.707 -3.479 4.311 1.00 0.00 H new ATOM 0 HG CYS A 71 6.124 -6.366 3.752 1.00 0.00 H new ATOM 1041 N PRO A 72 3.659 -3.621 7.091 1.00 0.00 N ATOM 1042 CA PRO A 72 3.575 -3.964 8.514 1.00 0.00 C ATOM 1043 C PRO A 72 4.196 -5.324 8.820 1.00 0.00 C ATOM 1044 O PRO A 72 4.338 -5.704 9.981 1.00 0.00 O ATOM 1045 CB PRO A 72 2.068 -3.992 8.784 1.00 0.00 C ATOM 1046 CG PRO A 72 1.452 -4.289 7.462 1.00 0.00 C ATOM 1047 CD PRO A 72 2.341 -3.644 6.435 1.00 0.00 C ATOM 0 HA PRO A 72 4.121 -3.255 9.137 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.812 -4.754 9.520 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.719 -3.038 9.178 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.382 -5.364 7.297 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.439 -3.891 7.406 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.364 -4.216 5.507 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.000 -2.640 6.182 1.00 0.00 H new ATOM 1055 N SER A 73 4.563 -6.050 7.769 1.00 0.00 N ATOM 1056 CA SER A 73 5.166 -7.369 7.925 1.00 0.00 C ATOM 1057 C SER A 73 6.660 -7.253 8.217 1.00 0.00 C ATOM 1058 O SER A 73 7.086 -7.312 9.371 1.00 0.00 O ATOM 1059 CB SER A 73 4.945 -8.207 6.665 1.00 0.00 C ATOM 1060 OG SER A 73 4.103 -9.316 6.931 1.00 0.00 O ATOM 0 H SER A 73 4.454 -5.748 6.801 1.00 0.00 H new ATOM 0 HA SER A 73 4.686 -7.863 8.770 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.501 -7.588 5.886 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.904 -8.558 6.285 1.00 0.00 H new ATOM 0 HG SER A 73 3.846 -9.742 6.087 1.00 0.00 H new ATOM 1066 N CYS A 74 7.450 -7.087 7.162 1.00 0.00 N ATOM 1067 CA CYS A 74 8.896 -6.963 7.301 1.00 0.00 C ATOM 1068 C CYS A 74 9.325 -5.500 7.232 1.00 0.00 C ATOM 1069 O CYS A 74 10.399 -5.180 6.720 1.00 0.00 O ATOM 1070 CB CYS A 74 9.606 -7.766 6.211 1.00 0.00 C ATOM 1071 SG CYS A 74 9.425 -7.070 4.537 1.00 0.00 S ATOM 0 H CYS A 74 7.113 -7.035 6.201 1.00 0.00 H new ATOM 0 HA CYS A 74 9.177 -7.361 8.276 1.00 0.00 H new ATOM 0 HB2 CYS A 74 10.667 -7.829 6.454 1.00 0.00 H new ATOM 0 HB3 CYS A 74 9.217 -8.784 6.213 1.00 0.00 H new ATOM 0 HG CYS A 74 10.061 -7.818 3.685 1.00 0.00 H new ATOM 1076 N LYS A 75 8.481 -4.615 7.751 1.00 0.00 N ATOM 1077 CA LYS A 75 8.771 -3.187 7.750 1.00 0.00 C ATOM 1078 C LYS A 75 9.483 -2.777 6.465 1.00 0.00 C ATOM 1079 O LYS A 75 10.448 -2.013 6.494 1.00 0.00 O ATOM 1080 CB LYS A 75 9.630 -2.819 8.962 1.00 0.00 C ATOM 1081 CG LYS A 75 8.831 -2.625 10.238 1.00 0.00 C ATOM 1082 CD LYS A 75 8.852 -3.872 11.106 1.00 0.00 C ATOM 1083 CE LYS A 75 8.673 -3.530 12.577 1.00 0.00 C ATOM 1084 NZ LYS A 75 9.706 -4.183 13.427 1.00 0.00 N ATOM 0 H LYS A 75 7.589 -4.863 8.179 1.00 0.00 H new ATOM 0 HA LYS A 75 7.824 -2.650 7.807 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.371 -3.602 9.123 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.178 -1.902 8.744 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.238 -1.784 10.799 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.801 -2.372 9.988 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.059 -4.550 10.790 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.796 -4.398 10.966 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.725 -2.449 12.708 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.682 -3.843 12.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.550 -3.925 14.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.640 -5.216 13.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.651 -3.865 13.131 1.00 0.00 H new ATOM 1098 N THR A 76 9.002 -3.289 5.337 1.00 0.00 N ATOM 1099 CA THR A 76 9.592 -2.977 4.042 1.00 0.00 C ATOM 1100 C THR A 76 9.036 -1.671 3.485 1.00 0.00 C ATOM 1101 O THR A 76 9.627 -1.111 2.563 1.00 0.00 O ATOM 1102 CB THR A 76 9.339 -4.104 3.023 1.00 0.00 C ATOM 1103 OG1 THR A 76 10.574 -4.749 2.692 1.00 0.00 O ATOM 1104 CG2 THR A 76 8.692 -3.557 1.760 1.00 0.00 C ATOM 0 H THR A 76 8.204 -3.923 5.294 1.00 0.00 H new ATOM 0 HA THR A 76 10.666 -2.874 4.201 1.00 0.00 H new ATOM 0 HB THR A 76 8.660 -4.828 3.475 1.00 0.00 H new ATOM 0 HG1 THR A 76 10.615 -5.624 3.132 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.523 -4.371 1.056 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.739 -3.092 2.012 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.349 -2.815 1.306 1.00 0.00 H new