USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 506 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 23 CYS SG : rot 61:sc= -6.24! USER MOD Single : A 24 HIS : no HD1:sc= -0.263 K(o=-0.26,f=-0.94) USER MOD Single : A 25 GLN : amide:sc= -0.547 X(o=-0.55,f=-0.54) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.487 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.261 K(o=-0.26,f=-2.2!) USER MOD Single : A 39 MET CE :methyl 180:sc=-0.00445 (180deg=-0.00445) USER MOD Single : A 41 HIS : no HD1:sc= -0.0207 X(o=-0.021,f=-0.013) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -2.19! C(o=-2.2!,f=-2.9!) USER MOD Single : A 52 ASN : amide:sc= -0.0699 K(o=-0.07,f=-0.93) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 158:sc= -2.42! (180deg=-2.47!) USER MOD Single : A 59 GLN : amide:sc= -0.0061 X(o=-0.0061,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot -156:sc= 0.634 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 12 -4.114 -0.612 8.057 1.00 0.00 N ATOM 115 CA PRO A 12 -3.843 -1.647 7.073 1.00 0.00 C ATOM 116 C PRO A 12 -5.135 -2.118 6.402 1.00 0.00 C ATOM 117 O PRO A 12 -5.297 -1.974 5.191 1.00 0.00 O ATOM 118 CB PRO A 12 -3.139 -2.750 7.847 1.00 0.00 C ATOM 119 CG PRO A 12 -3.456 -2.499 9.312 1.00 0.00 C ATOM 120 CD PRO A 12 -4.026 -1.095 9.432 1.00 0.00 C ATOM 0 HA PRO A 12 -3.219 -1.294 6.252 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.491 -3.733 7.534 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.064 -2.726 7.670 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.172 -3.234 9.679 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.557 -2.599 9.920 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.005 -1.105 9.912 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.381 -0.456 10.036 1.00 0.00 H new ATOM 128 N VAL A 13 -6.020 -2.670 7.218 1.00 0.00 N ATOM 129 CA VAL A 13 -7.293 -3.163 6.718 1.00 0.00 C ATOM 130 C VAL A 13 -7.838 -2.186 5.675 1.00 0.00 C ATOM 131 O VAL A 13 -8.164 -2.584 4.557 1.00 0.00 O ATOM 132 CB VAL A 13 -8.258 -3.394 7.883 1.00 0.00 C ATOM 133 CG1 VAL A 13 -8.355 -2.151 8.769 1.00 0.00 C ATOM 134 CG2 VAL A 13 -9.638 -3.816 7.375 1.00 0.00 C ATOM 0 H VAL A 13 -5.882 -2.787 8.222 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.163 -4.126 6.225 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.862 -4.207 8.491 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.047 -2.342 9.589 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.371 -1.914 9.173 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.717 -1.310 8.177 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.305 -3.974 8.222 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.045 -3.034 6.734 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.549 -4.741 6.806 1.00 0.00 H new ATOM 144 N GLU A 14 -7.922 -0.927 6.076 1.00 0.00 N ATOM 145 CA GLU A 14 -8.423 0.110 5.190 1.00 0.00 C ATOM 146 C GLU A 14 -7.690 0.060 3.848 1.00 0.00 C ATOM 147 O GLU A 14 -8.313 -0.112 2.801 1.00 0.00 O ATOM 148 CB GLU A 14 -8.295 1.492 5.834 1.00 0.00 C ATOM 149 CG GLU A 14 -9.600 1.901 6.518 1.00 0.00 C ATOM 150 CD GLU A 14 -10.113 3.234 5.969 1.00 0.00 C ATOM 151 OE1 GLU A 14 -9.904 3.467 4.759 1.00 0.00 O ATOM 152 OE2 GLU A 14 -10.703 3.989 6.771 1.00 0.00 O ATOM 0 H GLU A 14 -7.651 -0.601 7.004 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.482 -0.073 5.011 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.485 1.484 6.563 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.032 2.228 5.074 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.352 1.127 6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.441 1.984 7.593 1.00 0.00 H new ATOM 159 N ILE A 15 -6.376 0.214 3.921 1.00 0.00 N ATOM 160 CA ILE A 15 -5.551 0.189 2.725 1.00 0.00 C ATOM 161 C ILE A 15 -5.982 -0.980 1.838 1.00 0.00 C ATOM 162 O ILE A 15 -6.400 -0.779 0.699 1.00 0.00 O ATOM 163 CB ILE A 15 -4.067 0.164 3.098 1.00 0.00 C ATOM 164 CG1 ILE A 15 -3.655 1.464 3.793 1.00 0.00 C ATOM 165 CG2 ILE A 15 -3.199 -0.131 1.873 1.00 0.00 C ATOM 166 CD1 ILE A 15 -2.377 1.266 4.611 1.00 0.00 C ATOM 0 H ILE A 15 -5.862 0.357 4.790 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.694 1.100 2.144 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.907 -0.646 3.809 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.498 2.245 3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.460 1.803 4.445 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.149 -0.143 2.165 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.472 -1.102 1.459 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.357 0.642 1.120 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.106 2.204 5.095 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.545 0.502 5.370 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.568 0.950 3.952 1.00 0.00 H new ATOM 178 N GLU A 16 -5.865 -2.177 2.394 1.00 0.00 N ATOM 179 CA GLU A 16 -6.238 -3.379 1.668 1.00 0.00 C ATOM 180 C GLU A 16 -7.590 -3.186 0.978 1.00 0.00 C ATOM 181 O GLU A 16 -7.700 -3.348 -0.236 1.00 0.00 O ATOM 182 CB GLU A 16 -6.265 -4.595 2.597 1.00 0.00 C ATOM 183 CG GLU A 16 -4.980 -4.683 3.422 1.00 0.00 C ATOM 184 CD GLU A 16 -4.364 -6.081 3.331 1.00 0.00 C ATOM 185 OE1 GLU A 16 -3.594 -6.300 2.371 1.00 0.00 O ATOM 186 OE2 GLU A 16 -4.679 -6.899 4.222 1.00 0.00 O ATOM 0 H GLU A 16 -5.517 -2.340 3.339 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.485 -3.565 0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.125 -4.529 3.263 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.386 -5.504 2.008 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.264 -3.942 3.066 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.195 -4.444 4.463 1.00 0.00 H new ATOM 193 N ASN A 17 -8.584 -2.841 1.783 1.00 0.00 N ATOM 194 CA ASN A 17 -9.925 -2.624 1.265 1.00 0.00 C ATOM 195 C ASN A 17 -9.843 -1.787 -0.013 1.00 0.00 C ATOM 196 O ASN A 17 -10.310 -2.213 -1.068 1.00 0.00 O ATOM 197 CB ASN A 17 -10.788 -1.863 2.274 1.00 0.00 C ATOM 198 CG ASN A 17 -11.687 -2.821 3.058 1.00 0.00 C ATOM 199 OD1 ASN A 17 -12.555 -3.484 2.514 1.00 0.00 O ATOM 200 ND2 ASN A 17 -11.433 -2.855 4.363 1.00 0.00 N ATOM 0 H ASN A 17 -8.488 -2.706 2.790 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.373 -3.598 1.069 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.148 -1.313 2.964 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.401 -1.128 1.752 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.980 -3.462 4.973 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.691 -2.274 4.754 1.00 0.00 H new ATOM 207 N ARG A 18 -9.248 -0.612 0.124 1.00 0.00 N ATOM 208 CA ARG A 18 -9.100 0.288 -1.007 1.00 0.00 C ATOM 209 C ARG A 18 -8.687 -0.493 -2.256 1.00 0.00 C ATOM 210 O ARG A 18 -9.257 -0.301 -3.329 1.00 0.00 O ATOM 211 CB ARG A 18 -8.053 1.367 -0.719 1.00 0.00 C ATOM 212 CG ARG A 18 -8.680 2.762 -0.748 1.00 0.00 C ATOM 213 CD ARG A 18 -9.292 3.059 -2.119 1.00 0.00 C ATOM 214 NE ARG A 18 -8.623 4.230 -2.729 1.00 0.00 N ATOM 215 CZ ARG A 18 -9.087 4.886 -3.801 1.00 0.00 C ATOM 216 NH1 ARG A 18 -10.224 4.491 -4.388 1.00 0.00 N ATOM 217 NH2 ARG A 18 -8.413 5.938 -4.286 1.00 0.00 N ATOM 0 H ARG A 18 -8.863 -0.262 1.001 1.00 0.00 H new ATOM 0 HA ARG A 18 -10.063 0.769 -1.177 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.600 1.188 0.256 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.253 1.309 -1.457 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.449 2.835 0.021 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.923 3.510 -0.514 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.187 2.190 -2.769 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.360 3.253 -2.016 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.754 4.558 -2.307 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.737 3.690 -4.019 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.577 4.991 -5.204 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.547 6.239 -3.839 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.766 6.438 -5.102 1.00 0.00 H new ATOM 231 N ILE A 19 -7.700 -1.357 -2.076 1.00 0.00 N ATOM 232 CA ILE A 19 -7.204 -2.168 -3.175 1.00 0.00 C ATOM 233 C ILE A 19 -8.343 -3.034 -3.718 1.00 0.00 C ATOM 234 O ILE A 19 -8.494 -3.180 -4.930 1.00 0.00 O ATOM 235 CB ILE A 19 -5.976 -2.970 -2.739 1.00 0.00 C ATOM 236 CG1 ILE A 19 -4.876 -2.045 -2.214 1.00 0.00 C ATOM 237 CG2 ILE A 19 -5.477 -3.868 -3.872 1.00 0.00 C ATOM 238 CD1 ILE A 19 -3.862 -2.822 -1.373 1.00 0.00 C ATOM 0 H ILE A 19 -7.230 -1.514 -1.185 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.866 -1.533 -3.994 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.268 -3.623 -1.916 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.368 -1.566 -3.051 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.320 -1.251 -1.613 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.604 -4.427 -3.536 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.265 -4.564 -4.158 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.206 -3.254 -4.731 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.091 -2.141 -1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.369 -3.280 -0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.403 -3.600 -1.983 1.00 0.00 H new ATOM 250 N ILE A 20 -9.115 -3.587 -2.794 1.00 0.00 N ATOM 251 CA ILE A 20 -10.236 -4.435 -3.164 1.00 0.00 C ATOM 252 C ILE A 20 -11.180 -3.653 -4.081 1.00 0.00 C ATOM 253 O ILE A 20 -11.626 -4.170 -5.104 1.00 0.00 O ATOM 254 CB ILE A 20 -10.917 -4.998 -1.915 1.00 0.00 C ATOM 255 CG1 ILE A 20 -9.913 -5.738 -1.029 1.00 0.00 C ATOM 256 CG2 ILE A 20 -12.109 -5.880 -2.292 1.00 0.00 C ATOM 257 CD1 ILE A 20 -8.940 -6.562 -1.874 1.00 0.00 C ATOM 0 H ILE A 20 -8.986 -3.464 -1.790 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.889 -5.302 -3.727 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.306 -4.163 -1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.358 -5.021 -0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.445 -6.392 -0.339 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -12.576 -6.268 -1.386 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -12.836 -5.290 -2.851 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -11.766 -6.711 -2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.237 -7.078 -1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.496 -7.295 -2.459 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.392 -5.901 -2.546 1.00 0.00 H new ATOM 269 N GLU A 21 -11.456 -2.421 -3.680 1.00 0.00 N ATOM 270 CA GLU A 21 -12.339 -1.563 -4.453 1.00 0.00 C ATOM 271 C GLU A 21 -11.758 -1.323 -5.848 1.00 0.00 C ATOM 272 O GLU A 21 -12.498 -1.234 -6.826 1.00 0.00 O ATOM 273 CB GLU A 21 -12.590 -0.240 -3.728 1.00 0.00 C ATOM 274 CG GLU A 21 -13.672 -0.399 -2.657 1.00 0.00 C ATOM 275 CD GLU A 21 -14.811 0.599 -2.876 1.00 0.00 C ATOM 276 OE1 GLU A 21 -15.413 0.541 -3.971 1.00 0.00 O ATOM 277 OE2 GLU A 21 -15.055 1.396 -1.945 1.00 0.00 O ATOM 0 H GLU A 21 -11.084 -1.996 -2.830 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.299 -2.067 -4.563 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.665 0.108 -3.267 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -12.894 0.521 -4.447 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -14.065 -1.415 -2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.236 -0.248 -1.669 1.00 0.00 H new ATOM 284 N LEU A 22 -10.437 -1.223 -5.895 1.00 0.00 N ATOM 285 CA LEU A 22 -9.749 -0.994 -7.154 1.00 0.00 C ATOM 286 C LEU A 22 -9.763 -2.282 -7.979 1.00 0.00 C ATOM 287 O LEU A 22 -10.174 -2.276 -9.139 1.00 0.00 O ATOM 288 CB LEU A 22 -8.345 -0.440 -6.903 1.00 0.00 C ATOM 289 CG LEU A 22 -8.184 1.074 -7.056 1.00 0.00 C ATOM 290 CD1 LEU A 22 -7.560 1.688 -5.802 1.00 0.00 C ATOM 291 CD2 LEU A 22 -7.389 1.416 -8.318 1.00 0.00 C ATOM 0 H LEU A 22 -9.826 -1.296 -5.082 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.267 -0.234 -7.739 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.042 -0.717 -5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.655 -0.930 -7.589 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.175 1.513 -7.171 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.457 2.765 -5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.200 1.490 -4.943 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.578 1.248 -5.632 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.289 2.498 -8.403 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.399 0.964 -8.258 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.912 1.030 -9.193 1.00 0.00 H new ATOM 303 N CYS A 23 -9.309 -3.356 -7.350 1.00 0.00 N ATOM 304 CA CYS A 23 -9.264 -4.649 -8.012 1.00 0.00 C ATOM 305 C CYS A 23 -10.638 -4.921 -8.628 1.00 0.00 C ATOM 306 O CYS A 23 -10.742 -5.605 -9.645 1.00 0.00 O ATOM 307 CB CYS A 23 -8.839 -5.762 -7.052 1.00 0.00 C ATOM 308 SG CYS A 23 -7.144 -5.446 -6.440 1.00 0.00 S ATOM 0 H CYS A 23 -8.969 -3.357 -6.388 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.510 -4.631 -8.799 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.533 -5.815 -6.213 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.878 -6.726 -7.560 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.120 -4.319 -5.792 1.00 0.00 H new ATOM 314 N HIS A 24 -11.658 -4.370 -7.987 1.00 0.00 N ATOM 315 CA HIS A 24 -13.021 -4.545 -8.459 1.00 0.00 C ATOM 316 C HIS A 24 -13.304 -3.551 -9.587 1.00 0.00 C ATOM 317 O HIS A 24 -13.965 -3.891 -10.567 1.00 0.00 O ATOM 318 CB HIS A 24 -14.016 -4.428 -7.302 1.00 0.00 C ATOM 319 CG HIS A 24 -14.470 -5.757 -6.747 1.00 0.00 C ATOM 320 ND1 HIS A 24 -14.847 -6.817 -7.552 1.00 0.00 N ATOM 321 CD2 HIS A 24 -14.603 -6.185 -5.459 1.00 0.00 C ATOM 322 CE1 HIS A 24 -15.190 -7.833 -6.773 1.00 0.00 C ATOM 323 NE2 HIS A 24 -15.038 -7.439 -5.476 1.00 0.00 N ATOM 0 H HIS A 24 -11.568 -3.802 -7.145 1.00 0.00 H new ATOM 0 HA HIS A 24 -13.143 -5.549 -8.866 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -13.559 -3.848 -6.500 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -14.889 -3.870 -7.642 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -14.390 -5.602 -4.575 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -15.530 -8.802 -7.107 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -15.227 -8.013 -4.655 1.00 0.00 H new ATOM 331 N GLN A 25 -12.791 -2.343 -9.411 1.00 0.00 N ATOM 332 CA GLN A 25 -12.980 -1.297 -10.402 1.00 0.00 C ATOM 333 C GLN A 25 -12.294 -1.680 -11.715 1.00 0.00 C ATOM 334 O GLN A 25 -12.760 -1.314 -12.793 1.00 0.00 O ATOM 335 CB GLN A 25 -12.465 0.048 -9.886 1.00 0.00 C ATOM 336 CG GLN A 25 -13.604 0.881 -9.295 1.00 0.00 C ATOM 337 CD GLN A 25 -14.733 1.065 -10.311 1.00 0.00 C ATOM 338 OE1 GLN A 25 -14.558 1.636 -11.375 1.00 0.00 O ATOM 339 NE2 GLN A 25 -15.897 0.552 -9.924 1.00 0.00 N ATOM 0 H GLN A 25 -12.244 -2.065 -8.596 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.048 -1.191 -10.590 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.700 -0.118 -9.128 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.993 0.597 -10.700 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.991 0.392 -8.401 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.225 1.855 -8.987 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.974 0.087 -9.020 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.713 0.624 -10.532 1.00 0.00 H new ATOM 348 N PHE A 26 -11.197 -2.412 -11.581 1.00 0.00 N ATOM 349 CA PHE A 26 -10.442 -2.848 -12.744 1.00 0.00 C ATOM 350 C PHE A 26 -10.393 -4.375 -12.824 1.00 0.00 C ATOM 351 O PHE A 26 -9.677 -5.018 -12.058 1.00 0.00 O ATOM 352 CB PHE A 26 -9.019 -2.312 -12.579 1.00 0.00 C ATOM 353 CG PHE A 26 -8.931 -0.785 -12.529 1.00 0.00 C ATOM 354 CD1 PHE A 26 -9.186 -0.127 -11.366 1.00 0.00 C ATOM 355 CD2 PHE A 26 -8.598 -0.086 -13.647 1.00 0.00 C ATOM 356 CE1 PHE A 26 -9.104 1.290 -11.319 1.00 0.00 C ATOM 357 CE2 PHE A 26 -8.516 1.331 -13.600 1.00 0.00 C ATOM 358 CZ PHE A 26 -8.771 1.989 -12.437 1.00 0.00 C ATOM 0 H PHE A 26 -10.813 -2.714 -10.685 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.913 -2.478 -13.655 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.592 -2.720 -11.663 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.407 -2.674 -13.405 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.451 -0.682 -10.478 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.396 -0.608 -14.570 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -9.306 1.812 -10.396 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.251 1.886 -14.488 1.00 0.00 H new ATOM 0 HZ PHE A 26 -8.709 3.067 -12.402 1.00 0.00 H new ATOM 368 N PRO A 27 -11.185 -4.926 -13.783 1.00 0.00 N ATOM 369 CA PRO A 27 -11.238 -6.365 -13.974 1.00 0.00 C ATOM 370 C PRO A 27 -9.977 -6.873 -14.675 1.00 0.00 C ATOM 371 O PRO A 27 -9.639 -8.051 -14.576 1.00 0.00 O ATOM 372 CB PRO A 27 -12.504 -6.608 -14.779 1.00 0.00 C ATOM 373 CG PRO A 27 -12.863 -5.271 -15.406 1.00 0.00 C ATOM 374 CD PRO A 27 -12.047 -4.195 -14.708 1.00 0.00 C ATOM 0 HA PRO A 27 -11.269 -6.913 -13.032 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.340 -7.367 -15.544 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.310 -6.968 -14.140 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.648 -5.280 -16.475 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.929 -5.072 -15.297 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.461 -3.616 -15.422 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.690 -3.491 -14.179 1.00 0.00 H new ATOM 382 N HIS A 28 -9.314 -5.958 -15.367 1.00 0.00 N ATOM 383 CA HIS A 28 -8.097 -6.298 -16.084 1.00 0.00 C ATOM 384 C HIS A 28 -6.919 -6.329 -15.109 1.00 0.00 C ATOM 385 O HIS A 28 -6.027 -7.167 -15.234 1.00 0.00 O ATOM 386 CB HIS A 28 -7.872 -5.340 -17.257 1.00 0.00 C ATOM 387 CG HIS A 28 -8.880 -5.486 -18.371 1.00 0.00 C ATOM 388 ND1 HIS A 28 -9.147 -6.697 -18.987 1.00 0.00 N ATOM 389 CD2 HIS A 28 -9.682 -4.563 -18.974 1.00 0.00 C ATOM 390 CE1 HIS A 28 -10.070 -6.499 -19.917 1.00 0.00 C ATOM 391 NE2 HIS A 28 -10.400 -5.175 -19.908 1.00 0.00 N ATOM 0 H HIS A 28 -9.597 -4.981 -15.446 1.00 0.00 H new ATOM 0 HA HIS A 28 -8.191 -7.294 -16.517 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.901 -4.315 -16.887 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -6.873 -5.505 -17.661 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.726 -3.511 -18.733 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.488 -7.253 -20.568 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.085 -4.729 -20.518 1.00 0.00 H new ATOM 399 N GLY A 29 -6.952 -5.405 -14.160 1.00 0.00 N ATOM 400 CA GLY A 29 -5.898 -5.316 -13.165 1.00 0.00 C ATOM 401 C GLY A 29 -5.462 -3.865 -12.955 1.00 0.00 C ATOM 402 O GLY A 29 -5.896 -2.972 -13.682 1.00 0.00 O ATOM 0 H GLY A 29 -7.693 -4.711 -14.059 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.248 -5.734 -12.221 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.043 -5.914 -13.481 1.00 0.00 H new ATOM 406 N ILE A 30 -4.611 -3.674 -11.959 1.00 0.00 N ATOM 407 CA ILE A 30 -4.111 -2.346 -11.644 1.00 0.00 C ATOM 408 C ILE A 30 -2.597 -2.411 -11.435 1.00 0.00 C ATOM 409 O ILE A 30 -2.086 -3.379 -10.874 1.00 0.00 O ATOM 410 CB ILE A 30 -4.872 -1.755 -10.456 1.00 0.00 C ATOM 411 CG1 ILE A 30 -4.604 -2.557 -9.180 1.00 0.00 C ATOM 412 CG2 ILE A 30 -6.367 -1.646 -10.761 1.00 0.00 C ATOM 413 CD1 ILE A 30 -5.222 -1.870 -7.961 1.00 0.00 C ATOM 0 H ILE A 30 -4.254 -4.417 -11.358 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.288 -1.665 -12.477 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.505 -0.743 -10.284 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.016 -3.561 -9.284 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.529 -2.667 -9.034 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.884 -1.223 -9.900 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.516 -1.000 -11.627 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.768 -2.637 -10.974 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.017 -2.460 -7.068 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.790 -0.876 -7.846 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.300 -1.784 -8.099 1.00 0.00 H new ATOM 425 N THR A 31 -1.922 -1.369 -11.897 1.00 0.00 N ATOM 426 CA THR A 31 -0.477 -1.296 -11.767 1.00 0.00 C ATOM 427 C THR A 31 -0.093 -0.462 -10.543 1.00 0.00 C ATOM 428 O THR A 31 -0.823 0.448 -10.154 1.00 0.00 O ATOM 429 CB THR A 31 0.088 -0.746 -13.078 1.00 0.00 C ATOM 430 OG1 THR A 31 -0.236 0.641 -13.041 1.00 0.00 O ATOM 431 CG2 THR A 31 -0.661 -1.271 -14.305 1.00 0.00 C ATOM 0 H THR A 31 -2.349 -0.568 -12.362 1.00 0.00 H new ATOM 0 HA THR A 31 -0.045 -2.282 -11.598 1.00 0.00 H new ATOM 0 HB THR A 31 1.143 -1.009 -13.157 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.096 1.076 -13.854 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.220 -0.850 -15.208 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.588 -2.358 -14.338 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.710 -0.980 -14.243 1.00 0.00 H new ATOM 439 N ASP A 32 1.051 -0.804 -9.970 1.00 0.00 N ATOM 440 CA ASP A 32 1.541 -0.098 -8.798 1.00 0.00 C ATOM 441 C ASP A 32 1.454 1.410 -9.042 1.00 0.00 C ATOM 442 O ASP A 32 1.369 2.191 -8.096 1.00 0.00 O ATOM 443 CB ASP A 32 3.004 -0.447 -8.516 1.00 0.00 C ATOM 444 CG ASP A 32 3.323 -0.763 -7.053 1.00 0.00 C ATOM 445 OD1 ASP A 32 3.313 0.195 -6.251 1.00 0.00 O ATOM 446 OD2 ASP A 32 3.570 -1.955 -6.771 1.00 0.00 O ATOM 0 H ASP A 32 1.653 -1.561 -10.295 1.00 0.00 H new ATOM 0 HA ASP A 32 0.929 -0.394 -7.946 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.281 -1.307 -9.126 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.629 0.386 -8.837 1.00 0.00 H new ATOM 451 N GLN A 33 1.477 1.773 -10.316 1.00 0.00 N ATOM 452 CA GLN A 33 1.402 3.173 -10.696 1.00 0.00 C ATOM 453 C GLN A 33 0.035 3.751 -10.324 1.00 0.00 C ATOM 454 O GLN A 33 -0.049 4.842 -9.760 1.00 0.00 O ATOM 455 CB GLN A 33 1.684 3.352 -12.189 1.00 0.00 C ATOM 456 CG GLN A 33 3.165 3.646 -12.436 1.00 0.00 C ATOM 457 CD GLN A 33 3.583 3.212 -13.842 1.00 0.00 C ATOM 458 OE1 GLN A 33 3.940 2.071 -14.088 1.00 0.00 O ATOM 459 NE2 GLN A 33 3.520 4.183 -14.749 1.00 0.00 N ATOM 0 H GLN A 33 1.547 1.122 -11.098 1.00 0.00 H new ATOM 0 HA GLN A 33 2.168 3.720 -10.147 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.394 2.450 -12.728 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.077 4.168 -12.582 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.354 4.712 -12.309 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.771 3.125 -11.695 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.212 5.116 -14.476 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.779 3.994 -15.717 1.00 0.00 H new ATOM 468 N VAL A 34 -1.002 2.995 -10.653 1.00 0.00 N ATOM 469 CA VAL A 34 -2.360 3.419 -10.360 1.00 0.00 C ATOM 470 C VAL A 34 -2.494 3.688 -8.860 1.00 0.00 C ATOM 471 O VAL A 34 -2.645 4.835 -8.443 1.00 0.00 O ATOM 472 CB VAL A 34 -3.356 2.375 -10.871 1.00 0.00 C ATOM 473 CG1 VAL A 34 -4.787 2.744 -10.477 1.00 0.00 C ATOM 474 CG2 VAL A 34 -3.233 2.195 -12.385 1.00 0.00 C ATOM 0 H VAL A 34 -0.929 2.091 -11.120 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.589 4.350 -10.879 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.114 1.422 -10.400 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.475 1.986 -10.852 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.863 2.797 -9.391 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.045 3.712 -10.907 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.952 1.448 -12.722 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.436 3.144 -12.882 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.224 1.865 -12.631 1.00 0.00 H new ATOM 484 N ILE A 35 -2.432 2.612 -8.090 1.00 0.00 N ATOM 485 CA ILE A 35 -2.544 2.718 -6.646 1.00 0.00 C ATOM 486 C ILE A 35 -1.752 3.935 -6.165 1.00 0.00 C ATOM 487 O ILE A 35 -2.132 4.582 -5.190 1.00 0.00 O ATOM 488 CB ILE A 35 -2.123 1.407 -5.978 1.00 0.00 C ATOM 489 CG1 ILE A 35 -3.033 0.255 -6.409 1.00 0.00 C ATOM 490 CG2 ILE A 35 -2.071 1.559 -4.456 1.00 0.00 C ATOM 491 CD1 ILE A 35 -2.210 -0.956 -6.853 1.00 0.00 C ATOM 0 H ILE A 35 -2.306 1.662 -8.439 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.582 2.878 -6.355 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.115 1.162 -6.311 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.685 -0.027 -5.582 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.677 0.581 -7.226 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.769 0.613 -4.006 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.350 2.333 -4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.057 1.839 -4.084 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.880 -1.761 -7.154 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.577 -0.677 -7.695 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.585 -1.294 -6.026 1.00 0.00 H new ATOM 503 N GLN A 36 -0.666 4.211 -6.871 1.00 0.00 N ATOM 504 CA GLN A 36 0.183 5.340 -6.529 1.00 0.00 C ATOM 505 C GLN A 36 -0.599 6.649 -6.654 1.00 0.00 C ATOM 506 O GLN A 36 -0.612 7.459 -5.728 1.00 0.00 O ATOM 507 CB GLN A 36 1.439 5.366 -7.402 1.00 0.00 C ATOM 508 CG GLN A 36 2.665 5.782 -6.587 1.00 0.00 C ATOM 509 CD GLN A 36 3.959 5.421 -7.319 1.00 0.00 C ATOM 510 OE1 GLN A 36 4.566 4.388 -7.088 1.00 0.00 O ATOM 511 NE2 GLN A 36 4.346 6.327 -8.213 1.00 0.00 N ATOM 0 H GLN A 36 -0.354 3.672 -7.679 1.00 0.00 H new ATOM 0 HA GLN A 36 0.503 5.228 -5.493 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.604 4.380 -7.837 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.296 6.060 -8.230 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.635 6.856 -6.402 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.644 5.290 -5.615 1.00 0.00 H new ATOM 0 HE21 GLN A 36 3.791 7.171 -8.357 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.198 6.178 -8.754 1.00 0.00 H new ATOM 520 N ASN A 37 -1.231 6.816 -7.806 1.00 0.00 N ATOM 521 CA ASN A 37 -2.014 8.013 -8.064 1.00 0.00 C ATOM 522 C ASN A 37 -3.281 7.983 -7.207 1.00 0.00 C ATOM 523 O ASN A 37 -3.929 9.011 -7.015 1.00 0.00 O ATOM 524 CB ASN A 37 -2.437 8.089 -9.532 1.00 0.00 C ATOM 525 CG ASN A 37 -1.913 9.367 -10.189 1.00 0.00 C ATOM 526 OD1 ASN A 37 -1.541 10.326 -9.532 1.00 0.00 O ATOM 527 ND2 ASN A 37 -1.905 9.328 -11.518 1.00 0.00 N ATOM 0 H ASN A 37 -1.217 6.142 -8.572 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.397 8.878 -7.822 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.059 7.219 -10.068 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.524 8.059 -9.603 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.574 10.133 -12.050 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.230 8.493 -12.006 1.00 0.00 H new ATOM 534 N GLU A 38 -3.596 6.794 -6.715 1.00 0.00 N ATOM 535 CA GLU A 38 -4.774 6.617 -5.883 1.00 0.00 C ATOM 536 C GLU A 38 -4.448 6.943 -4.424 1.00 0.00 C ATOM 537 O GLU A 38 -5.204 7.649 -3.759 1.00 0.00 O ATOM 538 CB GLU A 38 -5.332 5.199 -6.017 1.00 0.00 C ATOM 539 CG GLU A 38 -5.743 4.905 -7.461 1.00 0.00 C ATOM 540 CD GLU A 38 -7.116 5.504 -7.772 1.00 0.00 C ATOM 541 OE1 GLU A 38 -7.928 5.585 -6.826 1.00 0.00 O ATOM 542 OE2 GLU A 38 -7.322 5.869 -8.950 1.00 0.00 O ATOM 0 H GLU A 38 -3.056 5.944 -6.876 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.544 7.309 -6.226 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.581 4.477 -5.695 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.193 5.079 -5.359 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.000 5.315 -8.145 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.767 3.828 -7.624 1.00 0.00 H new ATOM 549 N MET A 39 -3.322 6.413 -3.970 1.00 0.00 N ATOM 550 CA MET A 39 -2.887 6.638 -2.603 1.00 0.00 C ATOM 551 C MET A 39 -1.371 6.834 -2.535 1.00 0.00 C ATOM 552 O MET A 39 -0.651 5.968 -2.039 1.00 0.00 O ATOM 553 CB MET A 39 -3.287 5.443 -1.735 1.00 0.00 C ATOM 554 CG MET A 39 -4.712 4.987 -2.055 1.00 0.00 C ATOM 555 SD MET A 39 -5.381 4.068 -0.679 1.00 0.00 S ATOM 556 CE MET A 39 -4.687 2.458 -1.014 1.00 0.00 C ATOM 0 H MET A 39 -2.698 5.828 -4.525 1.00 0.00 H new ATOM 0 HA MET A 39 -3.369 7.543 -2.233 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.592 4.620 -1.900 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.216 5.714 -0.682 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.341 5.852 -2.266 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.712 4.367 -2.952 1.00 0.00 H new ATOM 0 HE1 MET A 39 -5.007 1.756 -0.244 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.030 2.109 -1.988 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.599 2.524 -1.015 1.00 0.00 H new ATOM 566 N PRO A 40 -0.919 8.006 -3.054 1.00 0.00 N ATOM 567 CA PRO A 40 0.499 8.327 -3.058 1.00 0.00 C ATOM 568 C PRO A 40 0.975 8.723 -1.659 1.00 0.00 C ATOM 569 O PRO A 40 2.155 9.002 -1.457 1.00 0.00 O ATOM 570 CB PRO A 40 0.647 9.446 -4.075 1.00 0.00 C ATOM 571 CG PRO A 40 -0.746 10.027 -4.261 1.00 0.00 C ATOM 572 CD PRO A 40 -1.742 9.055 -3.650 1.00 0.00 C ATOM 0 HA PRO A 40 1.122 7.475 -3.331 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.343 10.206 -3.721 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.041 9.067 -5.018 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.820 11.002 -3.780 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.959 10.177 -5.319 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.364 9.544 -2.900 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.414 8.649 -4.406 1.00 0.00 H new ATOM 580 N HIS A 41 0.031 8.734 -0.729 1.00 0.00 N ATOM 581 CA HIS A 41 0.339 9.091 0.646 1.00 0.00 C ATOM 582 C HIS A 41 0.716 7.833 1.431 1.00 0.00 C ATOM 583 O HIS A 41 1.172 7.922 2.570 1.00 0.00 O ATOM 584 CB HIS A 41 -0.821 9.861 1.280 1.00 0.00 C ATOM 585 CG HIS A 41 -2.078 9.043 1.454 1.00 0.00 C ATOM 586 ND1 HIS A 41 -3.121 9.069 0.544 1.00 0.00 N ATOM 587 CD2 HIS A 41 -2.449 8.178 2.441 1.00 0.00 C ATOM 588 CE1 HIS A 41 -4.071 8.251 0.974 1.00 0.00 C ATOM 589 NE2 HIS A 41 -3.653 7.701 2.150 1.00 0.00 N ATOM 0 H HIS A 41 -0.947 8.502 -0.900 1.00 0.00 H new ATOM 0 HA HIS A 41 1.198 9.761 0.668 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -0.506 10.236 2.254 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -1.048 10.730 0.662 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -1.863 7.924 3.312 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -5.011 8.054 0.480 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -4.179 7.033 2.713 1.00 0.00 H new ATOM 597 N ILE A 42 0.510 6.692 0.791 1.00 0.00 N ATOM 598 CA ILE A 42 0.822 5.417 1.415 1.00 0.00 C ATOM 599 C ILE A 42 2.334 5.188 1.368 1.00 0.00 C ATOM 600 O ILE A 42 3.021 5.733 0.506 1.00 0.00 O ATOM 601 CB ILE A 42 0.009 4.292 0.772 1.00 0.00 C ATOM 602 CG1 ILE A 42 -1.492 4.541 0.929 1.00 0.00 C ATOM 603 CG2 ILE A 42 0.425 2.928 1.327 1.00 0.00 C ATOM 604 CD1 ILE A 42 -1.977 4.112 2.315 1.00 0.00 C ATOM 0 H ILE A 42 0.131 6.623 -0.153 1.00 0.00 H new ATOM 0 HA ILE A 42 0.533 5.426 2.466 1.00 0.00 H new ATOM 0 HB ILE A 42 0.224 4.284 -0.297 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.707 5.599 0.776 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.038 3.991 0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.168 2.146 0.853 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.481 2.758 1.120 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.259 2.907 2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.047 4.300 2.400 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.783 3.049 2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.447 4.681 3.078 1.00 0.00 H new ATOM 616 N GLU A 43 2.807 4.381 2.307 1.00 0.00 N ATOM 617 CA GLU A 43 4.225 4.073 2.383 1.00 0.00 C ATOM 618 C GLU A 43 4.581 2.962 1.393 1.00 0.00 C ATOM 619 O GLU A 43 3.766 2.082 1.123 1.00 0.00 O ATOM 620 CB GLU A 43 4.626 3.687 3.808 1.00 0.00 C ATOM 621 CG GLU A 43 5.047 4.919 4.612 1.00 0.00 C ATOM 622 CD GLU A 43 6.361 4.667 5.354 1.00 0.00 C ATOM 623 OE1 GLU A 43 6.425 3.640 6.064 1.00 0.00 O ATOM 624 OE2 GLU A 43 7.273 5.507 5.195 1.00 0.00 O ATOM 0 H GLU A 43 2.234 3.932 3.021 1.00 0.00 H new ATOM 0 HA GLU A 43 4.786 4.967 2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.790 3.193 4.304 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.447 2.971 3.777 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.161 5.772 3.944 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.265 5.176 5.327 1.00 0.00 H new ATOM 631 N ALA A 44 5.800 3.040 0.879 1.00 0.00 N ATOM 632 CA ALA A 44 6.274 2.052 -0.075 1.00 0.00 C ATOM 633 C ALA A 44 6.112 0.653 0.523 1.00 0.00 C ATOM 634 O ALA A 44 5.800 -0.299 -0.191 1.00 0.00 O ATOM 635 CB ALA A 44 7.724 2.360 -0.452 1.00 0.00 C ATOM 0 H ALA A 44 6.473 3.772 1.105 1.00 0.00 H new ATOM 0 HA ALA A 44 5.684 2.090 -0.991 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.079 1.619 -1.168 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.781 3.352 -0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.347 2.329 0.442 1.00 0.00 H new ATOM 641 N GLN A 45 6.330 0.572 1.827 1.00 0.00 N ATOM 642 CA GLN A 45 6.212 -0.694 2.529 1.00 0.00 C ATOM 643 C GLN A 45 4.739 -1.026 2.782 1.00 0.00 C ATOM 644 O GLN A 45 4.357 -2.194 2.801 1.00 0.00 O ATOM 645 CB GLN A 45 7.001 -0.671 3.839 1.00 0.00 C ATOM 646 CG GLN A 45 8.325 -1.424 3.695 1.00 0.00 C ATOM 647 CD GLN A 45 9.274 -1.092 4.849 1.00 0.00 C ATOM 648 OE1 GLN A 45 9.936 -0.068 4.867 1.00 0.00 O ATOM 649 NE2 GLN A 45 9.301 -2.013 5.808 1.00 0.00 N ATOM 0 H GLN A 45 6.588 1.364 2.416 1.00 0.00 H new ATOM 0 HA GLN A 45 6.638 -1.476 1.900 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.195 0.361 4.133 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.407 -1.122 4.634 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.136 -2.497 3.672 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.795 -1.163 2.747 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.720 -2.848 5.730 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.902 -1.884 6.622 1.00 0.00 H new ATOM 658 N GLN A 46 3.954 0.024 2.971 1.00 0.00 N ATOM 659 CA GLN A 46 2.532 -0.140 3.222 1.00 0.00 C ATOM 660 C GLN A 46 1.833 -0.688 1.976 1.00 0.00 C ATOM 661 O GLN A 46 1.203 -1.744 2.027 1.00 0.00 O ATOM 662 CB GLN A 46 1.898 1.178 3.671 1.00 0.00 C ATOM 663 CG GLN A 46 1.915 1.302 5.196 1.00 0.00 C ATOM 664 CD GLN A 46 1.810 2.767 5.628 1.00 0.00 C ATOM 665 OE1 GLN A 46 2.701 3.322 6.250 1.00 0.00 O ATOM 666 NE2 GLN A 46 0.676 3.358 5.264 1.00 0.00 N ATOM 0 H GLN A 46 4.275 0.992 2.955 1.00 0.00 H new ATOM 0 HA GLN A 46 2.407 -0.859 4.031 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.438 2.015 3.228 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.871 1.234 3.309 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.087 0.734 5.620 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.834 0.868 5.590 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.028 2.834 4.744 1.00 0.00 H new ATOM 0 HE22 GLN A 46 0.510 4.335 5.504 1.00 0.00 H new ATOM 675 N ARG A 47 1.967 0.054 0.887 1.00 0.00 N ATOM 676 CA ARG A 47 1.356 -0.345 -0.370 1.00 0.00 C ATOM 677 C ARG A 47 1.682 -1.807 -0.678 1.00 0.00 C ATOM 678 O ARG A 47 0.802 -2.574 -1.067 1.00 0.00 O ATOM 679 CB ARG A 47 1.846 0.534 -1.523 1.00 0.00 C ATOM 680 CG ARG A 47 0.857 1.666 -1.808 1.00 0.00 C ATOM 681 CD ARG A 47 1.078 2.248 -3.205 1.00 0.00 C ATOM 682 NE ARG A 47 1.981 3.419 -3.129 1.00 0.00 N ATOM 683 CZ ARG A 47 3.318 3.336 -3.115 1.00 0.00 C ATOM 684 NH1 ARG A 47 3.916 2.139 -3.174 1.00 0.00 N ATOM 685 NH2 ARG A 47 4.058 4.452 -3.044 1.00 0.00 N ATOM 0 H ARG A 47 2.490 0.929 0.849 1.00 0.00 H new ATOM 0 HA ARG A 47 0.278 -0.224 -0.268 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.822 0.952 -1.277 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.976 -0.074 -2.418 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.163 1.292 -1.723 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.972 2.451 -1.061 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.507 1.490 -3.860 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.123 2.542 -3.640 1.00 0.00 H new ATOM 0 HE ARG A 47 1.559 4.346 -3.085 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.353 1.290 -3.230 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.934 2.076 -3.163 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.603 5.364 -3.001 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.076 4.389 -3.033 1.00 0.00 H new ATOM 699 N ALA A 48 2.948 -2.150 -0.493 1.00 0.00 N ATOM 700 CA ALA A 48 3.401 -3.507 -0.747 1.00 0.00 C ATOM 701 C ALA A 48 2.728 -4.458 0.245 1.00 0.00 C ATOM 702 O ALA A 48 2.056 -5.406 -0.157 1.00 0.00 O ATOM 703 CB ALA A 48 4.928 -3.561 -0.662 1.00 0.00 C ATOM 0 H ALA A 48 3.675 -1.511 -0.170 1.00 0.00 H new ATOM 0 HA ALA A 48 3.120 -3.824 -1.751 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.267 -4.579 -0.853 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.358 -2.890 -1.406 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.248 -3.252 0.333 1.00 0.00 H new ATOM 709 N VAL A 49 2.933 -4.172 1.522 1.00 0.00 N ATOM 710 CA VAL A 49 2.355 -4.990 2.575 1.00 0.00 C ATOM 711 C VAL A 49 0.932 -5.390 2.180 1.00 0.00 C ATOM 712 O VAL A 49 0.632 -6.575 2.045 1.00 0.00 O ATOM 713 CB VAL A 49 2.418 -4.246 3.910 1.00 0.00 C ATOM 714 CG1 VAL A 49 1.282 -4.684 4.836 1.00 0.00 C ATOM 715 CG2 VAL A 49 3.779 -4.440 4.582 1.00 0.00 C ATOM 0 H VAL A 49 3.492 -3.385 1.852 1.00 0.00 H new ATOM 0 HA VAL A 49 2.928 -5.909 2.703 1.00 0.00 H new ATOM 0 HB VAL A 49 2.293 -3.182 3.707 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.350 -4.140 5.778 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.324 -4.471 4.362 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.361 -5.754 5.028 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.797 -3.901 5.529 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.946 -5.501 4.765 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.564 -4.056 3.931 1.00 0.00 H new ATOM 725 N ALA A 50 0.094 -4.379 2.007 1.00 0.00 N ATOM 726 CA ALA A 50 -1.290 -4.611 1.630 1.00 0.00 C ATOM 727 C ALA A 50 -1.339 -5.603 0.466 1.00 0.00 C ATOM 728 O ALA A 50 -2.058 -6.598 0.524 1.00 0.00 O ATOM 729 CB ALA A 50 -1.956 -3.277 1.287 1.00 0.00 C ATOM 0 H ALA A 50 0.346 -3.397 2.121 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.845 -5.049 2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.994 -3.451 1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.922 -2.619 2.156 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.427 -2.809 0.457 1.00 0.00 H new ATOM 735 N ILE A 51 -0.563 -5.296 -0.563 1.00 0.00 N ATOM 736 CA ILE A 51 -0.509 -6.148 -1.739 1.00 0.00 C ATOM 737 C ILE A 51 -0.182 -7.580 -1.310 1.00 0.00 C ATOM 738 O ILE A 51 -0.988 -8.489 -1.504 1.00 0.00 O ATOM 739 CB ILE A 51 0.467 -5.577 -2.770 1.00 0.00 C ATOM 740 CG1 ILE A 51 -0.100 -4.314 -3.420 1.00 0.00 C ATOM 741 CG2 ILE A 51 0.849 -6.634 -3.808 1.00 0.00 C ATOM 742 CD1 ILE A 51 1.017 -3.331 -3.776 1.00 0.00 C ATOM 0 H ILE A 51 0.033 -4.470 -0.607 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.479 -6.176 -2.235 1.00 0.00 H new ATOM 0 HB ILE A 51 1.382 -5.290 -2.252 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.654 -4.581 -4.320 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.806 -3.837 -2.741 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.543 -6.202 -4.529 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.323 -7.479 -3.309 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.047 -6.975 -4.327 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.586 -2.442 -4.237 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.554 -3.047 -2.871 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.708 -3.803 -4.475 1.00 0.00 H new ATOM 754 N ASN A 52 1.002 -7.737 -0.737 1.00 0.00 N ATOM 755 CA ASN A 52 1.445 -9.043 -0.279 1.00 0.00 C ATOM 756 C ASN A 52 0.308 -9.724 0.486 1.00 0.00 C ATOM 757 O ASN A 52 -0.031 -10.873 0.207 1.00 0.00 O ATOM 758 CB ASN A 52 2.642 -8.919 0.665 1.00 0.00 C ATOM 759 CG ASN A 52 3.701 -9.977 0.350 1.00 0.00 C ATOM 760 OD1 ASN A 52 3.427 -11.013 -0.233 1.00 0.00 O ATOM 761 ND2 ASN A 52 4.924 -9.660 0.767 1.00 0.00 N ATOM 0 H ASN A 52 1.669 -6.981 -0.579 1.00 0.00 H new ATOM 0 HA ASN A 52 1.734 -9.626 -1.153 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.079 -7.924 0.575 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.309 -9.029 1.697 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.700 -10.301 0.604 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.085 -8.776 1.249 1.00 0.00 H new ATOM 768 N ARG A 53 -0.249 -8.985 1.435 1.00 0.00 N ATOM 769 CA ARG A 53 -1.340 -9.503 2.242 1.00 0.00 C ATOM 770 C ARG A 53 -2.464 -10.023 1.343 1.00 0.00 C ATOM 771 O ARG A 53 -2.789 -11.209 1.373 1.00 0.00 O ATOM 772 CB ARG A 53 -1.898 -8.424 3.171 1.00 0.00 C ATOM 773 CG ARG A 53 -1.661 -8.788 4.638 1.00 0.00 C ATOM 774 CD ARG A 53 -0.305 -8.267 5.120 1.00 0.00 C ATOM 775 NE ARG A 53 0.578 -9.402 5.468 1.00 0.00 N ATOM 776 CZ ARG A 53 1.776 -9.270 6.055 1.00 0.00 C ATOM 777 NH1 ARG A 53 2.241 -8.051 6.362 1.00 0.00 N ATOM 778 NH2 ARG A 53 2.509 -10.357 6.334 1.00 0.00 N ATOM 0 H ARG A 53 0.035 -8.032 1.663 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.946 -10.320 2.847 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.425 -7.468 2.949 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.966 -8.301 2.991 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.456 -8.367 5.254 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.703 -9.870 4.759 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.158 -7.660 4.342 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.442 -7.622 5.988 1.00 0.00 H new ATOM 0 HE ARG A 53 0.255 -10.344 5.247 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.683 -7.224 6.149 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.152 -7.950 6.809 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.155 -11.285 6.100 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.421 -10.257 6.781 1.00 0.00 H new ATOM 792 N LEU A 54 -3.027 -9.110 0.565 1.00 0.00 N ATOM 793 CA LEU A 54 -4.108 -9.462 -0.340 1.00 0.00 C ATOM 794 C LEU A 54 -3.666 -10.627 -1.227 1.00 0.00 C ATOM 795 O LEU A 54 -4.460 -11.515 -1.533 1.00 0.00 O ATOM 796 CB LEU A 54 -4.571 -8.233 -1.125 1.00 0.00 C ATOM 797 CG LEU A 54 -5.064 -7.050 -0.289 1.00 0.00 C ATOM 798 CD1 LEU A 54 -5.510 -5.893 -1.186 1.00 0.00 C ATOM 799 CD2 LEU A 54 -6.168 -7.484 0.677 1.00 0.00 C ATOM 0 H LEU A 54 -2.755 -8.127 0.543 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.979 -9.801 0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.745 -7.892 -1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.373 -8.537 -1.797 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.232 -6.688 0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.856 -5.065 -0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.671 -5.563 -1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.322 -6.226 -1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.501 -6.625 1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.008 -7.887 0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.783 -8.250 1.349 1.00 0.00 H new ATOM 811 N LEU A 55 -2.400 -10.587 -1.614 1.00 0.00 N ATOM 812 CA LEU A 55 -1.842 -11.629 -2.460 1.00 0.00 C ATOM 813 C LEU A 55 -1.963 -12.978 -1.747 1.00 0.00 C ATOM 814 O LEU A 55 -2.340 -13.976 -2.359 1.00 0.00 O ATOM 815 CB LEU A 55 -0.411 -11.277 -2.871 1.00 0.00 C ATOM 816 CG LEU A 55 -0.267 -10.171 -3.918 1.00 0.00 C ATOM 817 CD1 LEU A 55 1.204 -9.813 -4.138 1.00 0.00 C ATOM 818 CD2 LEU A 55 -0.964 -10.558 -5.224 1.00 0.00 C ATOM 0 H LEU A 55 -1.744 -9.849 -1.357 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.406 -11.707 -3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.139 -10.979 -1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.068 -12.178 -3.255 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.763 -9.277 -3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.278 -9.024 -4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.638 -9.465 -3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.745 -10.694 -4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.846 -9.755 -5.951 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.518 -11.472 -5.617 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.025 -10.724 -5.035 1.00 0.00 H new ATOM 830 N SER A 56 -1.636 -12.964 -0.463 1.00 0.00 N ATOM 831 CA SER A 56 -1.704 -14.173 0.339 1.00 0.00 C ATOM 832 C SER A 56 -3.156 -14.469 0.718 1.00 0.00 C ATOM 833 O SER A 56 -3.695 -15.515 0.358 1.00 0.00 O ATOM 834 CB SER A 56 -0.842 -14.048 1.597 1.00 0.00 C ATOM 835 OG SER A 56 -0.746 -15.282 2.303 1.00 0.00 O ATOM 0 H SER A 56 -1.323 -12.134 0.041 1.00 0.00 H new ATOM 0 HA SER A 56 -1.315 -15.000 -0.255 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.157 -13.710 1.320 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.266 -13.287 2.253 1.00 0.00 H new ATOM 0 HG SER A 56 -0.186 -15.161 3.098 1.00 0.00 H new ATOM 841 N MET A 57 -3.749 -13.530 1.440 1.00 0.00 N ATOM 842 CA MET A 57 -5.129 -13.677 1.872 1.00 0.00 C ATOM 843 C MET A 57 -5.980 -14.324 0.778 1.00 0.00 C ATOM 844 O MET A 57 -6.941 -15.034 1.072 1.00 0.00 O ATOM 845 CB MET A 57 -5.704 -12.303 2.221 1.00 0.00 C ATOM 846 CG MET A 57 -4.939 -11.667 3.383 1.00 0.00 C ATOM 847 SD MET A 57 -6.086 -11.044 4.600 1.00 0.00 S ATOM 848 CE MET A 57 -5.674 -9.307 4.554 1.00 0.00 C ATOM 0 H MET A 57 -3.299 -12.664 1.737 1.00 0.00 H new ATOM 0 HA MET A 57 -5.148 -14.322 2.750 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.654 -11.652 1.348 1.00 0.00 H new ATOM 0 HB3 MET A 57 -6.757 -12.402 2.485 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.276 -12.403 3.839 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.310 -10.856 3.015 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.513 -8.724 4.933 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.796 -9.125 5.174 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.461 -9.011 3.527 1.00 0.00 H new ATOM 858 N GLY A 58 -5.596 -14.057 -0.462 1.00 0.00 N ATOM 859 CA GLY A 58 -6.312 -14.605 -1.602 1.00 0.00 C ATOM 860 C GLY A 58 -7.399 -13.641 -2.080 1.00 0.00 C ATOM 861 O GLY A 58 -8.346 -14.051 -2.751 1.00 0.00 O ATOM 0 H GLY A 58 -4.798 -13.468 -0.702 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.613 -14.803 -2.415 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.762 -15.560 -1.329 1.00 0.00 H new ATOM 865 N GLN A 59 -7.228 -12.378 -1.718 1.00 0.00 N ATOM 866 CA GLN A 59 -8.183 -11.353 -2.102 1.00 0.00 C ATOM 867 C GLN A 59 -7.724 -10.653 -3.383 1.00 0.00 C ATOM 868 O GLN A 59 -8.547 -10.173 -4.161 1.00 0.00 O ATOM 869 CB GLN A 59 -8.390 -10.345 -0.970 1.00 0.00 C ATOM 870 CG GLN A 59 -8.967 -11.026 0.272 1.00 0.00 C ATOM 871 CD GLN A 59 -10.393 -10.545 0.549 1.00 0.00 C ATOM 872 OE1 GLN A 59 -11.333 -10.867 -0.159 1.00 0.00 O ATOM 873 NE2 GLN A 59 -10.501 -9.758 1.616 1.00 0.00 N ATOM 0 H GLN A 59 -6.442 -12.041 -1.162 1.00 0.00 H new ATOM 0 HA GLN A 59 -9.142 -11.832 -2.297 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.440 -9.872 -0.721 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.063 -9.554 -1.301 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.965 -12.107 0.132 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.334 -10.815 1.134 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.673 -9.527 2.166 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.412 -9.385 1.885 1.00 0.00 H new ATOM 882 N LEU A 60 -6.412 -10.616 -3.561 1.00 0.00 N ATOM 883 CA LEU A 60 -5.833 -9.983 -4.734 1.00 0.00 C ATOM 884 C LEU A 60 -5.180 -11.050 -5.615 1.00 0.00 C ATOM 885 O LEU A 60 -4.738 -12.084 -5.118 1.00 0.00 O ATOM 886 CB LEU A 60 -4.881 -8.859 -4.321 1.00 0.00 C ATOM 887 CG LEU A 60 -4.047 -8.239 -5.445 1.00 0.00 C ATOM 888 CD1 LEU A 60 -4.945 -7.714 -6.567 1.00 0.00 C ATOM 889 CD2 LEU A 60 -3.114 -7.155 -4.901 1.00 0.00 C ATOM 0 H LEU A 60 -5.733 -11.014 -2.912 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.610 -9.508 -5.333 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.466 -8.068 -3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.201 -9.246 -3.562 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.418 -9.018 -5.875 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.328 -7.279 -7.353 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.531 -8.536 -6.979 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.617 -6.953 -6.170 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.533 -6.731 -5.720 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.705 -6.369 -4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.439 -7.592 -4.165 1.00 0.00 H new ATOM 901 N ASP A 61 -5.140 -10.761 -6.907 1.00 0.00 N ATOM 902 CA ASP A 61 -4.549 -11.683 -7.862 1.00 0.00 C ATOM 903 C ASP A 61 -3.423 -10.975 -8.618 1.00 0.00 C ATOM 904 O ASP A 61 -3.647 -9.941 -9.247 1.00 0.00 O ATOM 905 CB ASP A 61 -5.583 -12.154 -8.886 1.00 0.00 C ATOM 906 CG ASP A 61 -5.676 -13.671 -9.060 1.00 0.00 C ATOM 907 OD1 ASP A 61 -4.929 -14.372 -8.344 1.00 0.00 O ATOM 908 OD2 ASP A 61 -6.493 -14.096 -9.906 1.00 0.00 O ATOM 0 H ASP A 61 -5.507 -9.901 -7.315 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.171 -12.544 -7.310 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.562 -11.777 -8.591 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.346 -11.707 -9.851 1.00 0.00 H new ATOM 913 N LEU A 62 -2.237 -11.559 -8.532 1.00 0.00 N ATOM 914 CA LEU A 62 -1.076 -10.996 -9.201 1.00 0.00 C ATOM 915 C LEU A 62 -1.015 -11.521 -10.637 1.00 0.00 C ATOM 916 O LEU A 62 -1.345 -12.678 -10.893 1.00 0.00 O ATOM 917 CB LEU A 62 0.193 -11.271 -8.392 1.00 0.00 C ATOM 918 CG LEU A 62 1.272 -10.187 -8.448 1.00 0.00 C ATOM 919 CD1 LEU A 62 2.370 -10.452 -7.416 1.00 0.00 C ATOM 920 CD2 LEU A 62 1.837 -10.048 -9.863 1.00 0.00 C ATOM 0 H LEU A 62 -2.055 -12.416 -8.010 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.160 -9.911 -9.261 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.090 -11.421 -7.350 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.628 -12.207 -8.742 1.00 0.00 H new ATOM 0 HG LEU A 62 0.811 -9.233 -8.190 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.124 -9.667 -7.477 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.935 -10.461 -6.416 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.834 -11.417 -7.618 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.602 -9.271 -9.875 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.277 -10.995 -10.174 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.035 -9.778 -10.550 1.00 0.00 H new ATOM 932 N LEU A 63 -0.591 -10.645 -11.536 1.00 0.00 N ATOM 933 CA LEU A 63 -0.483 -11.006 -12.939 1.00 0.00 C ATOM 934 C LEU A 63 0.756 -10.338 -13.539 1.00 0.00 C ATOM 935 O LEU A 63 0.758 -9.133 -13.786 1.00 0.00 O ATOM 936 CB LEU A 63 -1.780 -10.673 -13.679 1.00 0.00 C ATOM 937 CG LEU A 63 -2.612 -11.869 -14.146 1.00 0.00 C ATOM 938 CD1 LEU A 63 -4.059 -11.754 -13.661 1.00 0.00 C ATOM 939 CD2 LEU A 63 -2.528 -12.037 -15.664 1.00 0.00 C ATOM 0 H LEU A 63 -0.318 -9.686 -11.320 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.349 -12.082 -13.046 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.399 -10.057 -13.027 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.533 -10.066 -14.550 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.193 -12.771 -13.699 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.628 -12.617 -14.007 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.076 -11.721 -12.572 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.505 -10.842 -14.059 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.128 -12.894 -15.969 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.905 -11.138 -16.151 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.490 -12.199 -15.955 1.00 0.00 H new ATOM 951 N ARG A 64 1.780 -11.150 -13.757 1.00 0.00 N ATOM 952 CA ARG A 64 3.022 -10.653 -14.323 1.00 0.00 C ATOM 953 C ARG A 64 2.865 -10.424 -15.828 1.00 0.00 C ATOM 954 O ARG A 64 2.780 -11.379 -16.598 1.00 0.00 O ATOM 955 CB ARG A 64 4.170 -11.635 -14.080 1.00 0.00 C ATOM 956 CG ARG A 64 4.478 -11.759 -12.586 1.00 0.00 C ATOM 957 CD ARG A 64 5.729 -12.609 -12.353 1.00 0.00 C ATOM 958 NE ARG A 64 6.840 -11.756 -11.875 1.00 0.00 N ATOM 959 CZ ARG A 64 8.132 -12.105 -11.928 1.00 0.00 C ATOM 960 NH1 ARG A 64 8.484 -13.293 -12.439 1.00 0.00 N ATOM 961 NH2 ARG A 64 9.072 -11.267 -11.471 1.00 0.00 N ATOM 0 H ARG A 64 1.775 -12.149 -13.552 1.00 0.00 H new ATOM 0 HA ARG A 64 3.257 -9.709 -13.831 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.908 -12.613 -14.483 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.060 -11.299 -14.612 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.623 -10.767 -12.157 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.628 -12.208 -12.072 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.518 -13.389 -11.621 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.016 -13.109 -13.278 1.00 0.00 H new ATOM 0 HE ARG A 64 6.607 -10.845 -11.480 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.768 -13.931 -12.787 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.468 -13.559 -12.480 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.804 -10.363 -11.082 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.056 -11.533 -11.512 1.00 0.00 H new ATOM 975 N SER A 65 2.833 -9.154 -16.201 1.00 0.00 N ATOM 976 CA SER A 65 2.688 -8.788 -17.599 1.00 0.00 C ATOM 977 C SER A 65 4.018 -8.261 -18.143 1.00 0.00 C ATOM 978 O SER A 65 4.752 -8.989 -18.810 1.00 0.00 O ATOM 979 CB SER A 65 1.588 -7.741 -17.784 1.00 0.00 C ATOM 980 OG SER A 65 1.491 -7.300 -19.136 1.00 0.00 O ATOM 0 H SER A 65 2.905 -8.365 -15.559 1.00 0.00 H new ATOM 0 HA SER A 65 2.401 -9.679 -18.157 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.632 -8.160 -17.470 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.789 -6.887 -17.138 1.00 0.00 H new ATOM 0 HG SER A 65 0.776 -6.634 -19.212 1.00 0.00 H new ATOM 1021 N LEU A 69 4.434 -5.750 -12.323 1.00 0.00 N ATOM 1022 CA LEU A 69 3.390 -6.745 -12.147 1.00 0.00 C ATOM 1023 C LEU A 69 2.027 -6.051 -12.129 1.00 0.00 C ATOM 1024 O LEU A 69 1.948 -4.833 -11.980 1.00 0.00 O ATOM 1025 CB LEU A 69 3.664 -7.596 -10.905 1.00 0.00 C ATOM 1026 CG LEU A 69 5.125 -7.683 -10.461 1.00 0.00 C ATOM 1027 CD1 LEU A 69 5.281 -8.628 -9.268 1.00 0.00 C ATOM 1028 CD2 LEU A 69 6.031 -8.079 -11.629 1.00 0.00 C ATOM 0 HA LEU A 69 3.382 -7.441 -12.986 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.077 -7.196 -10.078 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.302 -8.606 -11.094 1.00 0.00 H new ATOM 0 HG LEU A 69 5.440 -6.693 -10.130 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.329 -8.671 -8.973 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.684 -8.262 -8.433 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.941 -9.625 -9.547 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.064 -8.134 -11.286 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.725 -9.052 -12.014 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.951 -7.334 -12.421 1.00 0.00 H new ATOM 1040 N LEU A 70 0.986 -6.857 -12.282 1.00 0.00 N ATOM 1041 CA LEU A 70 -0.370 -6.335 -12.285 1.00 0.00 C ATOM 1042 C LEU A 70 -1.132 -6.901 -11.085 1.00 0.00 C ATOM 1043 O LEU A 70 -0.731 -7.913 -10.511 1.00 0.00 O ATOM 1044 CB LEU A 70 -1.047 -6.611 -13.629 1.00 0.00 C ATOM 1045 CG LEU A 70 -2.557 -6.368 -13.682 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -3.030 -6.167 -15.123 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -3.319 -7.494 -12.980 1.00 0.00 C ATOM 0 H LEU A 70 1.055 -7.867 -12.405 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.361 -5.251 -12.175 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.572 -5.988 -14.387 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.856 -7.649 -13.903 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.774 -5.447 -13.141 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.107 -5.996 -15.132 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.522 -5.305 -15.556 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.799 -7.056 -15.709 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.390 -7.296 -13.032 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.101 -8.442 -13.471 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.010 -7.546 -11.936 1.00 0.00 H new ATOM 1059 N TYR A 71 -2.218 -6.224 -10.741 1.00 0.00 N ATOM 1060 CA TYR A 71 -3.039 -6.646 -9.620 1.00 0.00 C ATOM 1061 C TYR A 71 -4.527 -6.558 -9.966 1.00 0.00 C ATOM 1062 O TYR A 71 -5.027 -5.486 -10.303 1.00 0.00 O ATOM 1063 CB TYR A 71 -2.734 -5.670 -8.482 1.00 0.00 C ATOM 1064 CG TYR A 71 -1.244 -5.377 -8.296 1.00 0.00 C ATOM 1065 CD1 TYR A 71 -0.349 -6.417 -8.152 1.00 0.00 C ATOM 1066 CD2 TYR A 71 -0.795 -4.072 -8.274 1.00 0.00 C ATOM 1067 CE1 TYR A 71 1.054 -6.141 -7.977 1.00 0.00 C ATOM 1068 CE2 TYR A 71 0.607 -3.796 -8.100 1.00 0.00 C ATOM 1069 CZ TYR A 71 1.462 -4.844 -7.960 1.00 0.00 C ATOM 1070 OH TYR A 71 2.787 -4.583 -7.796 1.00 0.00 O ATOM 0 H TYR A 71 -2.548 -5.386 -11.220 1.00 0.00 H new ATOM 0 HA TYR A 71 -2.821 -7.680 -9.353 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -3.257 -4.733 -8.671 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.133 -6.076 -7.552 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.700 -7.438 -8.170 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.496 -3.258 -8.387 1.00 0.00 H new ATOM 0 HE1 TYR A 71 1.765 -6.946 -7.862 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.972 -2.780 -8.081 1.00 0.00 H new ATOM 0 HH TYR A 71 2.900 -3.679 -7.435 1.00 0.00 H new ATOM 1080 N ARG A 72 -5.193 -7.700 -9.871 1.00 0.00 N ATOM 1081 CA ARG A 72 -6.613 -7.765 -10.170 1.00 0.00 C ATOM 1082 C ARG A 72 -7.342 -8.591 -9.109 1.00 0.00 C ATOM 1083 O ARG A 72 -6.712 -9.148 -8.210 1.00 0.00 O ATOM 1084 CB ARG A 72 -6.858 -8.386 -11.547 1.00 0.00 C ATOM 1085 CG ARG A 72 -6.437 -9.857 -11.567 1.00 0.00 C ATOM 1086 CD ARG A 72 -7.269 -10.651 -12.577 1.00 0.00 C ATOM 1087 NE ARG A 72 -7.641 -11.964 -12.005 1.00 0.00 N ATOM 1088 CZ ARG A 72 -7.943 -13.045 -12.737 1.00 0.00 C ATOM 1089 NH1 ARG A 72 -7.919 -12.975 -14.075 1.00 0.00 N ATOM 1090 NH2 ARG A 72 -8.269 -14.195 -12.132 1.00 0.00 N ATOM 0 H ARG A 72 -4.775 -8.587 -9.591 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.999 -6.745 -10.170 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.914 -8.302 -11.805 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.300 -7.834 -12.303 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.380 -9.933 -11.821 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.558 -10.287 -10.573 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.167 -10.092 -12.840 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.701 -10.793 -13.496 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.669 -12.052 -10.989 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.671 -12.099 -14.536 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.149 -13.797 -14.633 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.287 -14.248 -11.114 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.499 -15.017 -12.690 1.00 0.00 H new ATOM 1104 N ILE A 73 -8.658 -8.644 -9.247 1.00 0.00 N ATOM 1105 CA ILE A 73 -9.479 -9.393 -8.311 1.00 0.00 C ATOM 1106 C ILE A 73 -9.250 -10.891 -8.523 1.00 0.00 C ATOM 1107 O ILE A 73 -9.309 -11.378 -9.651 1.00 0.00 O ATOM 1108 CB ILE A 73 -10.946 -8.973 -8.429 1.00 0.00 C ATOM 1109 CG1 ILE A 73 -11.352 -8.068 -7.264 1.00 0.00 C ATOM 1110 CG2 ILE A 73 -11.858 -10.195 -8.551 1.00 0.00 C ATOM 1111 CD1 ILE A 73 -11.046 -8.733 -5.920 1.00 0.00 C ATOM 0 H ILE A 73 -9.177 -8.180 -9.993 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.188 -9.167 -7.285 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.063 -8.392 -9.344 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.820 -7.119 -7.334 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -12.416 -7.842 -7.328 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.895 -9.869 -8.633 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.585 -10.765 -9.439 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.745 -10.823 -7.668 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -11.344 -8.069 -5.109 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.598 -9.670 -5.843 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -9.977 -8.935 -5.849 1.00 0.00 H new ATOM 1123 N LYS A 74 -8.994 -11.580 -7.420 1.00 0.00 N ATOM 1124 CA LYS A 74 -8.756 -13.012 -7.471 1.00 0.00 C ATOM 1125 C LYS A 74 -10.053 -13.727 -7.854 1.00 0.00 C ATOM 1126 O LYS A 74 -11.139 -13.304 -7.461 1.00 0.00 O ATOM 1127 CB LYS A 74 -8.149 -13.502 -6.155 1.00 0.00 C ATOM 1128 CG LYS A 74 -7.342 -14.784 -6.366 1.00 0.00 C ATOM 1129 CD LYS A 74 -6.184 -14.873 -5.370 1.00 0.00 C ATOM 1130 CE LYS A 74 -5.784 -16.329 -5.123 1.00 0.00 C ATOM 1131 NZ LYS A 74 -4.318 -16.443 -4.954 1.00 0.00 N ATOM 0 H LYS A 74 -8.946 -11.173 -6.486 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.022 -13.249 -8.241 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.505 -12.728 -5.737 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.942 -13.683 -5.430 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.993 -15.651 -6.251 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.954 -14.810 -7.384 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.328 -14.317 -5.752 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.473 -14.407 -4.428 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.289 -16.705 -4.233 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.109 -16.948 -5.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.064 -17.438 -4.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.842 -16.104 -5.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.016 -15.868 -4.142 1.00 0.00 H new