USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 603 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 15 GLN : amide:sc= -0.377 X(o=-0.38,f=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 27:sc= 0.354 USER MOD Single : A 25 HIS : no HD1:sc=0.000108 X(o=0.00011,f=-0.21) USER MOD Single : A 28 HIS : no HD1:sc= -5.07! C(o=-5.1!,f=-6.4!) USER MOD Single : A 37 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0111) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 160:sc= 0 (180deg=-0.586) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.0148 K(o=-0.015,f=-2!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.0878 X(o=-0.088,f=-0.088) USER MOD Single : A 62 CYS SG : rot 180:sc= -0.202 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 78 HIS : no HE2:sc= -0.656 X(o=-0.66,f=-0.57) USER MOD Single : A 81 ASN : amide:sc= -1.6! C(o=-1.6!,f=-2.3!) USER MOD Single : A 86 TYR OH : rot -67:sc= 0.0384 USER MOD ----------------------------------------------------------------- ATOM 125 N GLY A 11 -15.424 -7.388 4.737 1.00 0.00 N ATOM 126 CA GLY A 11 -15.240 -8.745 4.257 1.00 0.00 C ATOM 127 C GLY A 11 -14.738 -9.680 5.339 1.00 0.00 C ATOM 128 O GLY A 11 -14.557 -9.272 6.485 1.00 0.00 O ATOM 0 HA2 GLY A 11 -16.186 -9.120 3.867 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.533 -8.741 3.428 1.00 0.00 H new ATOM 132 N GLU A 12 -14.512 -10.938 4.974 1.00 0.00 N ATOM 133 CA GLU A 12 -14.030 -11.933 5.923 1.00 0.00 C ATOM 134 C GLU A 12 -12.511 -12.067 5.847 1.00 0.00 C ATOM 135 O GLU A 12 -11.910 -11.851 4.794 1.00 0.00 O ATOM 136 CB GLU A 12 -14.686 -13.289 5.653 1.00 0.00 C ATOM 137 CG GLU A 12 -16.154 -13.342 6.042 1.00 0.00 C ATOM 138 CD GLU A 12 -16.383 -13.014 7.505 1.00 0.00 C ATOM 139 OE1 GLU A 12 -16.252 -13.928 8.345 1.00 0.00 O ATOM 140 OE2 GLU A 12 -16.693 -11.843 7.808 1.00 0.00 O ATOM 0 H GLU A 12 -14.655 -11.292 4.028 1.00 0.00 H new ATOM 0 HA GLU A 12 -14.299 -11.601 6.926 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.591 -13.525 4.593 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.145 -14.061 6.201 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.715 -12.641 5.424 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -16.546 -14.337 5.831 1.00 0.00 H new ATOM 147 N LEU A 13 -11.898 -12.425 6.970 1.00 0.00 N ATOM 148 CA LEU A 13 -10.449 -12.587 7.031 1.00 0.00 C ATOM 149 C LEU A 13 -9.963 -13.550 5.953 1.00 0.00 C ATOM 150 O LEU A 13 -9.039 -13.240 5.202 1.00 0.00 O ATOM 151 CB LEU A 13 -10.032 -13.097 8.412 1.00 0.00 C ATOM 152 CG LEU A 13 -9.727 -12.026 9.459 1.00 0.00 C ATOM 153 CD1 LEU A 13 -11.012 -11.369 9.941 1.00 0.00 C ATOM 154 CD2 LEU A 13 -8.962 -12.626 10.630 1.00 0.00 C ATOM 0 H LEU A 13 -12.381 -12.608 7.850 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.991 -11.614 6.856 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.827 -13.736 8.796 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.148 -13.724 8.294 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.103 -11.261 8.996 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.775 -10.609 10.686 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.521 -10.903 9.097 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.662 -12.123 10.386 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.754 -11.849 11.365 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.561 -13.411 11.092 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.023 -13.049 10.273 1.00 0.00 H new ATOM 166 N GLU A 14 -10.593 -14.718 5.882 1.00 0.00 N ATOM 167 CA GLU A 14 -10.225 -15.725 4.893 1.00 0.00 C ATOM 168 C GLU A 14 -10.483 -15.218 3.478 1.00 0.00 C ATOM 169 O GLU A 14 -9.724 -15.512 2.555 1.00 0.00 O ATOM 170 CB GLU A 14 -11.007 -17.018 5.134 1.00 0.00 C ATOM 171 CG GLU A 14 -10.847 -17.574 6.540 1.00 0.00 C ATOM 172 CD GLU A 14 -11.791 -16.926 7.534 1.00 0.00 C ATOM 173 OE1 GLU A 14 -12.998 -16.827 7.228 1.00 0.00 O ATOM 174 OE2 GLU A 14 -11.323 -16.516 8.617 1.00 0.00 O ATOM 0 H GLU A 14 -11.360 -14.991 6.497 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.159 -15.928 4.998 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.064 -16.834 4.943 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.680 -17.770 4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.024 -18.649 6.524 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.819 -17.425 6.871 1.00 0.00 H new ATOM 181 N GLN A 15 -11.560 -14.456 3.315 1.00 0.00 N ATOM 182 CA GLN A 15 -11.919 -13.909 2.012 1.00 0.00 C ATOM 183 C GLN A 15 -10.787 -13.056 1.449 1.00 0.00 C ATOM 184 O GLN A 15 -10.474 -13.128 0.261 1.00 0.00 O ATOM 185 CB GLN A 15 -13.197 -13.076 2.120 1.00 0.00 C ATOM 186 CG GLN A 15 -14.469 -13.910 2.118 1.00 0.00 C ATOM 187 CD GLN A 15 -14.984 -14.185 0.719 1.00 0.00 C ATOM 188 OE1 GLN A 15 -15.929 -13.546 0.256 1.00 0.00 O ATOM 189 NE2 GLN A 15 -14.363 -15.141 0.037 1.00 0.00 N ATOM 0 H GLN A 15 -12.199 -14.204 4.069 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.094 -14.742 1.332 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.160 -12.487 3.036 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.233 -12.372 1.289 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.279 -14.857 2.624 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -15.239 -13.392 2.689 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -13.584 -15.645 0.460 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -14.665 -15.371 -0.910 1.00 0.00 H new ATOM 198 N MET A 16 -10.177 -12.248 2.311 1.00 0.00 N ATOM 199 CA MET A 16 -9.079 -11.381 1.899 1.00 0.00 C ATOM 200 C MET A 16 -8.037 -12.163 1.106 1.00 0.00 C ATOM 201 O MET A 16 -7.970 -13.390 1.190 1.00 0.00 O ATOM 202 CB MET A 16 -8.427 -10.733 3.121 1.00 0.00 C ATOM 203 CG MET A 16 -9.420 -10.059 4.054 1.00 0.00 C ATOM 204 SD MET A 16 -8.640 -8.854 5.145 1.00 0.00 S ATOM 205 CE MET A 16 -10.075 -8.151 5.955 1.00 0.00 C ATOM 0 H MET A 16 -10.424 -12.176 3.298 1.00 0.00 H new ATOM 0 HA MET A 16 -9.487 -10.600 1.257 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.878 -11.494 3.676 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.698 -9.995 2.785 1.00 0.00 H new ATOM 0 HG2 MET A 16 -10.190 -9.563 3.462 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.920 -10.818 4.656 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.755 -7.387 6.663 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.731 -7.703 5.209 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.613 -8.936 6.487 1.00 0.00 H new ATOM 215 N VAL A 17 -7.225 -11.446 0.336 1.00 0.00 N ATOM 216 CA VAL A 17 -6.185 -12.073 -0.471 1.00 0.00 C ATOM 217 C VAL A 17 -4.890 -11.270 -0.419 1.00 0.00 C ATOM 218 O VAL A 17 -4.895 -10.053 -0.601 1.00 0.00 O ATOM 219 CB VAL A 17 -6.626 -12.221 -1.939 1.00 0.00 C ATOM 220 CG1 VAL A 17 -7.919 -13.018 -2.030 1.00 0.00 C ATOM 221 CG2 VAL A 17 -6.787 -10.854 -2.587 1.00 0.00 C ATOM 0 H VAL A 17 -7.267 -10.430 0.254 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.012 -13.063 -0.050 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.852 -12.766 -2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.215 -13.112 -3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.766 -14.010 -1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.704 -12.503 -1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.099 -10.977 -3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.541 -10.282 -2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.836 -10.322 -2.555 1.00 0.00 H new ATOM 231 N SER A 18 -3.782 -11.960 -0.171 1.00 0.00 N ATOM 232 CA SER A 18 -2.478 -11.311 -0.092 1.00 0.00 C ATOM 233 C SER A 18 -1.852 -11.180 -1.477 1.00 0.00 C ATOM 234 O SER A 18 -1.692 -12.168 -2.193 1.00 0.00 O ATOM 235 CB SER A 18 -1.546 -12.101 0.829 1.00 0.00 C ATOM 236 OG SER A 18 -1.194 -13.346 0.252 1.00 0.00 O ATOM 0 H SER A 18 -3.761 -12.969 -0.021 1.00 0.00 H new ATOM 0 HA SER A 18 -2.621 -10.312 0.319 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.645 -11.520 1.025 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.034 -12.267 1.790 1.00 0.00 H new ATOM 0 HG SER A 18 -1.237 -13.278 -0.725 1.00 0.00 H new ATOM 242 N GLU A 19 -1.500 -9.953 -1.847 1.00 0.00 N ATOM 243 CA GLU A 19 -0.892 -9.692 -3.146 1.00 0.00 C ATOM 244 C GLU A 19 0.423 -8.934 -2.989 1.00 0.00 C ATOM 245 O GLU A 19 0.666 -8.296 -1.965 1.00 0.00 O ATOM 246 CB GLU A 19 -1.851 -8.894 -4.032 1.00 0.00 C ATOM 247 CG GLU A 19 -2.783 -9.763 -4.859 1.00 0.00 C ATOM 248 CD GLU A 19 -2.067 -10.932 -5.507 1.00 0.00 C ATOM 249 OE1 GLU A 19 -0.946 -10.730 -6.020 1.00 0.00 O ATOM 250 OE2 GLU A 19 -2.627 -12.048 -5.503 1.00 0.00 O ATOM 0 H GLU A 19 -1.625 -9.124 -1.266 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.684 -10.651 -3.620 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.447 -8.233 -3.403 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.270 -8.259 -4.702 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.583 -10.140 -4.222 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.251 -9.154 -5.633 1.00 0.00 H new ATOM 257 N ASP A 20 1.268 -9.010 -4.012 1.00 0.00 N ATOM 258 CA ASP A 20 2.559 -8.332 -3.989 1.00 0.00 C ATOM 259 C ASP A 20 2.569 -7.152 -4.956 1.00 0.00 C ATOM 260 O ASP A 20 2.089 -7.256 -6.084 1.00 0.00 O ATOM 261 CB ASP A 20 3.679 -9.309 -4.346 1.00 0.00 C ATOM 262 CG ASP A 20 3.635 -9.735 -5.800 1.00 0.00 C ATOM 263 OD1 ASP A 20 2.792 -10.590 -6.142 1.00 0.00 O ATOM 264 OD2 ASP A 20 4.444 -9.214 -6.596 1.00 0.00 O ATOM 0 H ASP A 20 1.082 -9.534 -4.867 1.00 0.00 H new ATOM 0 HA ASP A 20 2.726 -7.954 -2.980 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.643 -8.845 -4.136 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.604 -10.191 -3.710 1.00 0.00 H new ATOM 269 N VAL A 21 3.119 -6.029 -4.505 1.00 0.00 N ATOM 270 CA VAL A 21 3.193 -4.828 -5.329 1.00 0.00 C ATOM 271 C VAL A 21 4.619 -4.293 -5.395 1.00 0.00 C ATOM 272 O VAL A 21 5.220 -3.933 -4.383 1.00 0.00 O ATOM 273 CB VAL A 21 2.265 -3.722 -4.793 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.911 -2.740 -5.900 1.00 0.00 C ATOM 275 CG2 VAL A 21 1.009 -4.328 -4.185 1.00 0.00 C ATOM 0 H VAL A 21 3.520 -5.926 -3.573 1.00 0.00 H new ATOM 0 HA VAL A 21 2.868 -5.111 -6.330 1.00 0.00 H new ATOM 0 HB VAL A 21 2.793 -3.177 -4.010 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.255 -1.965 -5.503 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.822 -2.282 -6.285 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.402 -3.268 -6.706 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.365 -3.532 -3.811 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.476 -4.899 -4.945 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.285 -4.988 -3.362 1.00 0.00 H new ATOM 285 N PRO A 22 5.174 -4.239 -6.615 1.00 0.00 N ATOM 286 CA PRO A 22 6.537 -3.747 -6.843 1.00 0.00 C ATOM 287 C PRO A 22 6.657 -2.245 -6.613 1.00 0.00 C ATOM 288 O PRO A 22 6.265 -1.443 -7.462 1.00 0.00 O ATOM 289 CB PRO A 22 6.794 -4.086 -8.313 1.00 0.00 C ATOM 290 CG PRO A 22 5.441 -4.137 -8.933 1.00 0.00 C ATOM 291 CD PRO A 22 4.515 -4.652 -7.865 1.00 0.00 C ATOM 0 HA PRO A 22 7.254 -4.197 -6.156 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.419 -3.331 -8.790 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.312 -5.040 -8.414 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.131 -3.150 -9.275 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.435 -4.793 -9.804 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.518 -4.221 -7.955 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.400 -5.735 -7.920 1.00 0.00 H new ATOM 299 N LEU A 23 7.202 -1.869 -5.461 1.00 0.00 N ATOM 300 CA LEU A 23 7.375 -0.461 -5.120 1.00 0.00 C ATOM 301 C LEU A 23 8.847 -0.131 -4.900 1.00 0.00 C ATOM 302 O LEU A 23 9.519 -0.758 -4.081 1.00 0.00 O ATOM 303 CB LEU A 23 6.570 -0.118 -3.865 1.00 0.00 C ATOM 304 CG LEU A 23 6.471 1.368 -3.517 1.00 0.00 C ATOM 305 CD1 LEU A 23 5.519 2.076 -4.469 1.00 0.00 C ATOM 306 CD2 LEU A 23 6.019 1.549 -2.076 1.00 0.00 C ATOM 0 H LEU A 23 7.532 -2.519 -4.748 1.00 0.00 H new ATOM 0 HA LEU A 23 7.009 0.137 -5.954 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.560 -0.510 -3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.015 -0.640 -3.018 1.00 0.00 H new ATOM 0 HG LEU A 23 7.460 1.814 -3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.461 3.132 -4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.885 1.976 -5.491 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.528 1.628 -4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.954 2.612 -1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.040 1.088 -1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.738 1.076 -1.407 1.00 0.00 H new ATOM 318 N ASP A 24 9.343 0.858 -5.636 1.00 0.00 N ATOM 319 CA ASP A 24 10.736 1.274 -5.520 1.00 0.00 C ATOM 320 C ASP A 24 11.064 1.677 -4.085 1.00 0.00 C ATOM 321 O ASP A 24 10.395 2.530 -3.500 1.00 0.00 O ATOM 322 CB ASP A 24 11.023 2.439 -6.468 1.00 0.00 C ATOM 323 CG ASP A 24 12.506 2.622 -6.728 1.00 0.00 C ATOM 324 OD1 ASP A 24 13.291 2.548 -5.759 1.00 0.00 O ATOM 325 OD2 ASP A 24 12.880 2.838 -7.899 1.00 0.00 O ATOM 0 H ASP A 24 8.801 1.387 -6.319 1.00 0.00 H new ATOM 0 HA ASP A 24 11.367 0.429 -5.795 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.509 2.269 -7.414 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.615 3.357 -6.045 1.00 0.00 H new ATOM 330 N HIS A 25 12.097 1.057 -3.524 1.00 0.00 N ATOM 331 CA HIS A 25 12.514 1.351 -2.157 1.00 0.00 C ATOM 332 C HIS A 25 12.927 2.813 -2.018 1.00 0.00 C ATOM 333 O HIS A 25 13.026 3.337 -0.908 1.00 0.00 O ATOM 334 CB HIS A 25 13.672 0.440 -1.748 1.00 0.00 C ATOM 335 CG HIS A 25 14.938 0.706 -2.503 1.00 0.00 C ATOM 336 ND1 HIS A 25 15.192 0.185 -3.755 1.00 0.00 N ATOM 337 CD2 HIS A 25 16.025 1.444 -2.177 1.00 0.00 C ATOM 338 CE1 HIS A 25 16.380 0.590 -4.165 1.00 0.00 C ATOM 339 NE2 HIS A 25 16.907 1.355 -3.226 1.00 0.00 N ATOM 0 H HIS A 25 12.660 0.348 -3.994 1.00 0.00 H new ATOM 0 HA HIS A 25 11.666 1.167 -1.497 1.00 0.00 H new ATOM 0 HB2 HIS A 25 13.862 0.563 -0.682 1.00 0.00 H new ATOM 0 HB3 HIS A 25 13.378 -0.598 -1.901 1.00 0.00 H new ATOM 0 HD2 HIS A 25 16.171 1.999 -1.262 1.00 0.00 H new ATOM 0 HE1 HIS A 25 16.842 0.338 -5.108 1.00 0.00 H new ATOM 0 HE2 HIS A 25 17.821 1.806 -3.272 1.00 0.00 H new ATOM 347 N ARG A 26 13.168 3.466 -3.150 1.00 0.00 N ATOM 348 CA ARG A 26 13.572 4.866 -3.153 1.00 0.00 C ATOM 349 C ARG A 26 12.426 5.764 -2.698 1.00 0.00 C ATOM 350 O ARG A 26 12.639 6.915 -2.315 1.00 0.00 O ATOM 351 CB ARG A 26 14.036 5.282 -4.551 1.00 0.00 C ATOM 352 CG ARG A 26 15.420 4.769 -4.911 1.00 0.00 C ATOM 353 CD ARG A 26 16.507 5.724 -4.445 1.00 0.00 C ATOM 354 NE ARG A 26 16.536 6.950 -5.237 1.00 0.00 N ATOM 355 CZ ARG A 26 17.598 7.743 -5.327 1.00 0.00 C ATOM 356 NH1 ARG A 26 18.713 7.439 -4.677 1.00 0.00 N ATOM 357 NH2 ARG A 26 17.546 8.842 -6.069 1.00 0.00 N ATOM 0 H ARG A 26 13.090 3.047 -4.077 1.00 0.00 H new ATOM 0 HA ARG A 26 14.400 4.980 -2.453 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.319 4.916 -5.286 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.033 6.370 -4.617 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.576 3.790 -4.458 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.490 4.635 -5.990 1.00 0.00 H new ATOM 0 HD2 ARG A 26 16.345 5.974 -3.397 1.00 0.00 H new ATOM 0 HD3 ARG A 26 17.476 5.229 -4.508 1.00 0.00 H new ATOM 0 HE ARG A 26 15.694 7.212 -5.750 1.00 0.00 H new ATOM 0 HH11 ARG A 26 18.757 6.595 -4.106 1.00 0.00 H new ATOM 0 HH12 ARG A 26 19.527 8.049 -4.748 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.690 9.078 -6.571 1.00 0.00 H new ATOM 0 HH22 ARG A 26 18.362 9.450 -6.137 1.00 0.00 H new ATOM 371 N VAL A 27 11.209 5.231 -2.742 1.00 0.00 N ATOM 372 CA VAL A 27 10.029 5.983 -2.334 1.00 0.00 C ATOM 373 C VAL A 27 9.343 5.324 -1.142 1.00 0.00 C ATOM 374 O VAL A 27 8.432 5.896 -0.543 1.00 0.00 O ATOM 375 CB VAL A 27 9.018 6.111 -3.488 1.00 0.00 C ATOM 376 CG1 VAL A 27 9.672 6.750 -4.703 1.00 0.00 C ATOM 377 CG2 VAL A 27 8.436 4.750 -3.840 1.00 0.00 C ATOM 0 H VAL A 27 11.015 4.280 -3.056 1.00 0.00 H new ATOM 0 HA VAL A 27 10.371 6.978 -2.049 1.00 0.00 H new ATOM 0 HB VAL A 27 8.202 6.757 -3.163 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.942 6.832 -5.508 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.036 7.743 -4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.508 6.133 -5.033 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.723 4.859 -4.658 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.239 4.079 -4.146 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.928 4.335 -2.969 1.00 0.00 H new ATOM 387 N HIS A 28 9.787 4.118 -0.803 1.00 0.00 N ATOM 388 CA HIS A 28 9.216 3.381 0.319 1.00 0.00 C ATOM 389 C HIS A 28 9.039 4.289 1.532 1.00 0.00 C ATOM 390 O HIS A 28 7.916 4.591 1.934 1.00 0.00 O ATOM 391 CB HIS A 28 10.108 2.193 0.682 1.00 0.00 C ATOM 392 CG HIS A 28 9.756 0.934 -0.049 1.00 0.00 C ATOM 393 ND1 HIS A 28 10.010 -0.324 0.453 1.00 0.00 N ATOM 394 CD2 HIS A 28 9.164 0.745 -1.252 1.00 0.00 C ATOM 395 CE1 HIS A 28 9.592 -1.233 -0.410 1.00 0.00 C ATOM 396 NE2 HIS A 28 9.074 -0.610 -1.453 1.00 0.00 N ATOM 0 H HIS A 28 10.540 3.630 -1.289 1.00 0.00 H new ATOM 0 HA HIS A 28 8.236 3.012 0.018 1.00 0.00 H new ATOM 0 HB2 HIS A 28 11.146 2.450 0.468 1.00 0.00 H new ATOM 0 HB3 HIS A 28 10.039 2.012 1.755 1.00 0.00 H new ATOM 0 HD2 HIS A 28 8.826 1.517 -1.928 1.00 0.00 H new ATOM 0 HE1 HIS A 28 9.662 -2.303 -0.284 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.672 -1.062 -2.274 1.00 0.00 H new ATOM 404 N ALA A 29 10.155 4.720 2.110 1.00 0.00 N ATOM 405 CA ALA A 29 10.123 5.594 3.276 1.00 0.00 C ATOM 406 C ALA A 29 9.246 6.816 3.022 1.00 0.00 C ATOM 407 O ALA A 29 8.340 7.114 3.801 1.00 0.00 O ATOM 408 CB ALA A 29 11.533 6.023 3.653 1.00 0.00 C ATOM 0 H ALA A 29 11.093 4.478 1.790 1.00 0.00 H new ATOM 0 HA ALA A 29 9.691 5.035 4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.494 6.675 4.525 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.131 5.142 3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.985 6.559 2.819 1.00 0.00 H new ATOM 414 N ARG A 30 9.522 7.519 1.929 1.00 0.00 N ATOM 415 CA ARG A 30 8.759 8.710 1.574 1.00 0.00 C ATOM 416 C ARG A 30 7.267 8.490 1.809 1.00 0.00 C ATOM 417 O ARG A 30 6.584 9.350 2.366 1.00 0.00 O ATOM 418 CB ARG A 30 9.006 9.083 0.111 1.00 0.00 C ATOM 419 CG ARG A 30 10.462 9.386 -0.202 1.00 0.00 C ATOM 420 CD ARG A 30 10.878 10.744 0.342 1.00 0.00 C ATOM 421 NE ARG A 30 10.607 11.821 -0.606 1.00 0.00 N ATOM 422 CZ ARG A 30 10.456 13.092 -0.251 1.00 0.00 C ATOM 423 NH1 ARG A 30 10.550 13.443 1.024 1.00 0.00 N ATOM 424 NH2 ARG A 30 10.212 14.015 -1.173 1.00 0.00 N ATOM 0 H ARG A 30 10.268 7.285 1.274 1.00 0.00 H new ATOM 0 HA ARG A 30 9.093 9.528 2.212 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.669 8.265 -0.526 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.400 9.953 -0.141 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.097 8.611 0.228 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.616 9.362 -1.281 1.00 0.00 H new ATOM 0 HD2 ARG A 30 10.347 10.939 1.274 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.942 10.729 0.579 1.00 0.00 H new ATOM 0 HE ARG A 30 10.529 11.584 -1.595 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.739 12.736 1.735 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.434 14.420 1.294 1.00 0.00 H new ATOM 0 HH21 ARG A 30 10.140 13.749 -2.155 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.096 14.991 -0.900 1.00 0.00 H new ATOM 438 N ILE A 31 6.771 7.334 1.382 1.00 0.00 N ATOM 439 CA ILE A 31 5.361 7.002 1.546 1.00 0.00 C ATOM 440 C ILE A 31 5.046 6.643 2.995 1.00 0.00 C ATOM 441 O ILE A 31 4.137 7.210 3.602 1.00 0.00 O ATOM 442 CB ILE A 31 4.949 5.829 0.638 1.00 0.00 C ATOM 443 CG1 ILE A 31 4.865 6.289 -0.819 1.00 0.00 C ATOM 444 CG2 ILE A 31 3.619 5.247 1.093 1.00 0.00 C ATOM 445 CD1 ILE A 31 4.886 5.150 -1.815 1.00 0.00 C ATOM 0 H ILE A 31 7.324 6.612 0.920 1.00 0.00 H new ATOM 0 HA ILE A 31 4.793 7.888 1.261 1.00 0.00 H new ATOM 0 HB ILE A 31 5.707 5.049 0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.950 6.865 -0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.699 6.959 -1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.342 4.419 0.441 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.711 4.887 2.118 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.850 6.018 1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.823 5.550 -2.827 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.813 4.587 -1.704 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.037 4.491 -1.632 1.00 0.00 H new ATOM 457 N ILE A 32 5.805 5.700 3.543 1.00 0.00 N ATOM 458 CA ILE A 32 5.608 5.267 4.921 1.00 0.00 C ATOM 459 C ILE A 32 5.347 6.457 5.838 1.00 0.00 C ATOM 460 O ILE A 32 4.365 6.480 6.578 1.00 0.00 O ATOM 461 CB ILE A 32 6.828 4.487 5.445 1.00 0.00 C ATOM 462 CG1 ILE A 32 6.984 3.169 4.684 1.00 0.00 C ATOM 463 CG2 ILE A 32 6.690 4.230 6.938 1.00 0.00 C ATOM 464 CD1 ILE A 32 8.378 2.588 4.761 1.00 0.00 C ATOM 0 H ILE A 32 6.562 5.221 3.054 1.00 0.00 H new ATOM 0 HA ILE A 32 4.738 4.610 4.925 1.00 0.00 H new ATOM 0 HB ILE A 32 7.723 5.087 5.280 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.274 2.443 5.081 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.723 3.330 3.638 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.560 3.678 7.294 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.623 5.181 7.466 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.788 3.647 7.125 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.415 1.655 4.199 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.091 3.295 4.337 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.635 2.395 5.803 1.00 0.00 H new ATOM 476 N GLY A 33 6.234 7.446 5.783 1.00 0.00 N ATOM 477 CA GLY A 33 6.081 8.627 6.612 1.00 0.00 C ATOM 478 C GLY A 33 6.813 8.506 7.934 1.00 0.00 C ATOM 479 O GLY A 33 6.688 7.500 8.630 1.00 0.00 O ATOM 0 H GLY A 33 7.056 7.450 5.179 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.454 9.497 6.072 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.022 8.800 6.801 1.00 0.00 H new ATOM 483 N ALA A 34 7.581 9.535 8.279 1.00 0.00 N ATOM 484 CA ALA A 34 8.336 9.539 9.526 1.00 0.00 C ATOM 485 C ALA A 34 7.527 8.917 10.660 1.00 0.00 C ATOM 486 O ALA A 34 7.938 7.920 11.253 1.00 0.00 O ATOM 487 CB ALA A 34 8.750 10.958 9.888 1.00 0.00 C ATOM 0 H ALA A 34 7.696 10.376 7.713 1.00 0.00 H new ATOM 0 HA ALA A 34 9.232 8.936 9.381 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.313 10.946 10.821 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.373 11.369 9.094 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.861 11.577 10.009 1.00 0.00 H new ATOM 493 N ARG A 35 6.376 9.512 10.956 1.00 0.00 N ATOM 494 CA ARG A 35 5.512 9.017 12.020 1.00 0.00 C ATOM 495 C ARG A 35 4.811 7.730 11.596 1.00 0.00 C ATOM 496 O ARG A 35 4.398 6.931 12.435 1.00 0.00 O ATOM 497 CB ARG A 35 4.473 10.076 12.395 1.00 0.00 C ATOM 498 CG ARG A 35 3.677 9.731 13.643 1.00 0.00 C ATOM 499 CD ARG A 35 4.486 9.979 14.907 1.00 0.00 C ATOM 500 NE ARG A 35 4.006 9.179 16.030 1.00 0.00 N ATOM 501 CZ ARG A 35 4.334 7.906 16.219 1.00 0.00 C ATOM 502 NH1 ARG A 35 5.140 7.291 15.363 1.00 0.00 N ATOM 503 NH2 ARG A 35 3.857 7.244 17.265 1.00 0.00 N ATOM 0 H ARG A 35 6.021 10.337 10.474 1.00 0.00 H new ATOM 0 HA ARG A 35 6.134 8.803 12.889 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.978 11.030 12.548 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.785 10.210 11.560 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.765 10.328 13.671 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.373 8.685 13.604 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.534 9.746 14.718 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.436 11.036 15.168 1.00 0.00 H new ATOM 0 HE ARG A 35 3.385 9.622 16.707 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.509 7.796 14.557 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.390 6.313 15.511 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.237 7.713 17.926 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.110 6.266 17.408 1.00 0.00 H new ATOM 517 N GLY A 36 4.681 7.536 10.287 1.00 0.00 N ATOM 518 CA GLY A 36 4.030 6.344 9.775 1.00 0.00 C ATOM 519 C GLY A 36 2.534 6.528 9.607 1.00 0.00 C ATOM 520 O GLY A 36 1.777 5.557 9.617 1.00 0.00 O ATOM 0 H GLY A 36 5.015 8.183 9.572 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.470 6.077 8.814 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.217 5.512 10.453 1.00 0.00 H new ATOM 524 N LYS A 37 2.107 7.776 9.453 1.00 0.00 N ATOM 525 CA LYS A 37 0.692 8.085 9.282 1.00 0.00 C ATOM 526 C LYS A 37 0.323 8.147 7.804 1.00 0.00 C ATOM 527 O LYS A 37 -0.808 7.845 7.424 1.00 0.00 O ATOM 528 CB LYS A 37 0.354 9.416 9.959 1.00 0.00 C ATOM 529 CG LYS A 37 -1.129 9.603 10.227 1.00 0.00 C ATOM 530 CD LYS A 37 -1.523 9.053 11.588 1.00 0.00 C ATOM 531 CE LYS A 37 -1.301 10.079 12.689 1.00 0.00 C ATOM 532 NZ LYS A 37 -2.371 11.114 12.707 1.00 0.00 N ATOM 0 H LYS A 37 2.721 8.591 9.443 1.00 0.00 H new ATOM 0 HA LYS A 37 0.113 7.289 9.750 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.896 9.482 10.902 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.707 10.234 9.330 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.378 10.663 10.176 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.706 9.102 9.450 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.572 8.756 11.572 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.941 8.157 11.802 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.268 9.574 13.654 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.333 10.560 12.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.240 11.734 13.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.321 11.681 11.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.301 10.651 12.766 1.00 0.00 H new ATOM 546 N ALA A 38 1.284 8.538 6.974 1.00 0.00 N ATOM 547 CA ALA A 38 1.061 8.635 5.537 1.00 0.00 C ATOM 548 C ALA A 38 0.606 7.299 4.960 1.00 0.00 C ATOM 549 O ALA A 38 -0.189 7.256 4.021 1.00 0.00 O ATOM 550 CB ALA A 38 2.325 9.112 4.837 1.00 0.00 C ATOM 0 H ALA A 38 2.225 8.793 7.273 1.00 0.00 H new ATOM 0 HA ALA A 38 0.268 9.363 5.366 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.143 9.180 3.764 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.605 10.093 5.220 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.133 8.405 5.024 1.00 0.00 H new ATOM 556 N ILE A 39 1.117 6.211 5.528 1.00 0.00 N ATOM 557 CA ILE A 39 0.762 4.873 5.069 1.00 0.00 C ATOM 558 C ILE A 39 -0.509 4.378 5.750 1.00 0.00 C ATOM 559 O ILE A 39 -1.206 3.508 5.228 1.00 0.00 O ATOM 560 CB ILE A 39 1.898 3.868 5.335 1.00 0.00 C ATOM 561 CG1 ILE A 39 1.529 2.490 4.781 1.00 0.00 C ATOM 562 CG2 ILE A 39 2.193 3.784 6.825 1.00 0.00 C ATOM 563 CD1 ILE A 39 1.115 2.516 3.326 1.00 0.00 C ATOM 0 H ILE A 39 1.777 6.230 6.305 1.00 0.00 H new ATOM 0 HA ILE A 39 0.592 4.942 3.994 1.00 0.00 H new ATOM 0 HB ILE A 39 2.797 4.215 4.826 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.382 1.821 4.896 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.715 2.074 5.375 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.998 3.070 6.997 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.494 4.765 7.192 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.299 3.457 7.355 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.868 1.506 3.000 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.243 3.159 3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.936 2.902 2.721 1.00 0.00 H new ATOM 575 N ARG A 40 -0.807 4.940 6.917 1.00 0.00 N ATOM 576 CA ARG A 40 -1.995 4.556 7.669 1.00 0.00 C ATOM 577 C ARG A 40 -3.264 4.989 6.939 1.00 0.00 C ATOM 578 O ARG A 40 -4.189 4.198 6.758 1.00 0.00 O ATOM 579 CB ARG A 40 -1.962 5.175 9.067 1.00 0.00 C ATOM 580 CG ARG A 40 -2.949 4.545 10.036 1.00 0.00 C ATOM 581 CD ARG A 40 -2.362 3.313 10.707 1.00 0.00 C ATOM 582 NE ARG A 40 -3.060 2.979 11.946 1.00 0.00 N ATOM 583 CZ ARG A 40 -4.181 2.268 11.990 1.00 0.00 C ATOM 584 NH1 ARG A 40 -4.728 1.818 10.869 1.00 0.00 N ATOM 585 NH2 ARG A 40 -4.757 2.006 13.156 1.00 0.00 N ATOM 0 H ARG A 40 -0.242 5.663 7.362 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.001 3.470 7.760 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.955 5.079 9.474 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.174 6.241 8.988 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.231 5.274 10.795 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.860 4.271 9.503 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.415 2.467 10.022 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.307 3.485 10.920 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.665 3.310 12.826 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.288 2.018 9.971 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.589 1.272 10.905 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.339 2.351 14.020 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.618 1.460 13.188 1.00 0.00 H new ATOM 599 N LYS A 41 -3.299 6.251 6.524 1.00 0.00 N ATOM 600 CA LYS A 41 -4.452 6.790 5.813 1.00 0.00 C ATOM 601 C LYS A 41 -4.808 5.920 4.612 1.00 0.00 C ATOM 602 O LYS A 41 -5.981 5.653 4.352 1.00 0.00 O ATOM 603 CB LYS A 41 -4.170 8.222 5.353 1.00 0.00 C ATOM 604 CG LYS A 41 -3.309 8.301 4.104 1.00 0.00 C ATOM 605 CD LYS A 41 -3.041 9.742 3.702 1.00 0.00 C ATOM 606 CE LYS A 41 -2.218 9.820 2.425 1.00 0.00 C ATOM 607 NZ LYS A 41 -2.039 11.225 1.966 1.00 0.00 N ATOM 0 H LYS A 41 -2.542 6.919 6.668 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.299 6.795 6.499 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.117 8.727 5.164 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.676 8.763 6.160 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.363 7.789 4.280 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.805 7.780 3.285 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.988 10.263 3.559 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.514 10.254 4.508 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.242 9.366 2.594 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.707 9.241 1.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.473 11.236 1.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.970 11.651 1.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.549 11.771 2.703 1.00 0.00 H new ATOM 621 N ILE A 42 -3.787 5.480 3.884 1.00 0.00 N ATOM 622 CA ILE A 42 -3.992 4.638 2.712 1.00 0.00 C ATOM 623 C ILE A 42 -4.643 3.313 3.094 1.00 0.00 C ATOM 624 O ILE A 42 -5.624 2.892 2.481 1.00 0.00 O ATOM 625 CB ILE A 42 -2.666 4.354 1.983 1.00 0.00 C ATOM 626 CG1 ILE A 42 -2.152 5.622 1.300 1.00 0.00 C ATOM 627 CG2 ILE A 42 -2.848 3.235 0.968 1.00 0.00 C ATOM 628 CD1 ILE A 42 -0.834 5.431 0.582 1.00 0.00 C ATOM 0 H ILE A 42 -2.810 5.693 4.085 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.655 5.186 2.042 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.926 4.035 2.717 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.899 5.968 0.585 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.039 6.407 2.048 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.902 3.046 0.461 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.173 2.329 1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.600 3.527 0.235 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.531 6.371 0.121 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.073 5.115 1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.947 4.669 -0.189 1.00 0.00 H new ATOM 640 N MET A 43 -4.092 2.661 4.113 1.00 0.00 N ATOM 641 CA MET A 43 -4.622 1.385 4.580 1.00 0.00 C ATOM 642 C MET A 43 -6.101 1.506 4.930 1.00 0.00 C ATOM 643 O MET A 43 -6.916 0.682 4.514 1.00 0.00 O ATOM 644 CB MET A 43 -3.835 0.897 5.798 1.00 0.00 C ATOM 645 CG MET A 43 -2.565 0.143 5.439 1.00 0.00 C ATOM 646 SD MET A 43 -1.887 -0.778 6.833 1.00 0.00 S ATOM 647 CE MET A 43 -0.646 0.369 7.425 1.00 0.00 C ATOM 0 H MET A 43 -3.279 2.995 4.631 1.00 0.00 H new ATOM 0 HA MET A 43 -4.517 0.659 3.774 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.576 1.754 6.420 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.475 0.250 6.398 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.775 -0.546 4.621 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.818 0.849 5.077 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.391 0.128 8.457 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.246 0.293 6.803 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.037 1.385 7.376 1.00 0.00 H new ATOM 657 N ASP A 44 -6.441 2.536 5.697 1.00 0.00 N ATOM 658 CA ASP A 44 -7.823 2.764 6.102 1.00 0.00 C ATOM 659 C ASP A 44 -8.689 3.129 4.900 1.00 0.00 C ATOM 660 O ASP A 44 -9.860 2.759 4.832 1.00 0.00 O ATOM 661 CB ASP A 44 -7.892 3.875 7.152 1.00 0.00 C ATOM 662 CG ASP A 44 -7.434 3.408 8.519 1.00 0.00 C ATOM 663 OD1 ASP A 44 -7.777 2.270 8.904 1.00 0.00 O ATOM 664 OD2 ASP A 44 -6.732 4.180 9.205 1.00 0.00 O ATOM 0 H ASP A 44 -5.779 3.226 6.051 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.206 1.840 6.535 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.273 4.713 6.831 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.916 4.243 7.221 1.00 0.00 H new ATOM 669 N GLU A 45 -8.104 3.858 3.955 1.00 0.00 N ATOM 670 CA GLU A 45 -8.823 4.274 2.757 1.00 0.00 C ATOM 671 C GLU A 45 -9.471 3.077 2.068 1.00 0.00 C ATOM 672 O GLU A 45 -10.688 3.035 1.885 1.00 0.00 O ATOM 673 CB GLU A 45 -7.876 4.984 1.787 1.00 0.00 C ATOM 674 CG GLU A 45 -8.588 5.662 0.628 1.00 0.00 C ATOM 675 CD GLU A 45 -9.273 6.951 1.038 1.00 0.00 C ATOM 676 OE1 GLU A 45 -8.579 7.853 1.553 1.00 0.00 O ATOM 677 OE2 GLU A 45 -10.502 7.058 0.845 1.00 0.00 O ATOM 0 H GLU A 45 -7.135 4.173 3.996 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.609 4.967 3.058 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.300 5.730 2.335 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.164 4.259 1.391 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.868 5.873 -0.162 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.328 4.979 0.211 1.00 0.00 H new ATOM 684 N PHE A 46 -8.649 2.105 1.688 1.00 0.00 N ATOM 685 CA PHE A 46 -9.140 0.906 1.017 1.00 0.00 C ATOM 686 C PHE A 46 -9.327 -0.236 2.012 1.00 0.00 C ATOM 687 O PHE A 46 -9.582 -1.376 1.625 1.00 0.00 O ATOM 688 CB PHE A 46 -8.171 0.481 -0.088 1.00 0.00 C ATOM 689 CG PHE A 46 -7.711 1.620 -0.953 1.00 0.00 C ATOM 690 CD1 PHE A 46 -8.472 2.039 -2.032 1.00 0.00 C ATOM 691 CD2 PHE A 46 -6.518 2.272 -0.685 1.00 0.00 C ATOM 692 CE1 PHE A 46 -8.050 3.087 -2.829 1.00 0.00 C ATOM 693 CE2 PHE A 46 -6.091 3.320 -1.479 1.00 0.00 C ATOM 694 CZ PHE A 46 -6.859 3.729 -2.552 1.00 0.00 C ATOM 0 H PHE A 46 -7.640 2.123 1.833 1.00 0.00 H new ATOM 0 HA PHE A 46 -10.107 1.139 0.572 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -7.301 0.006 0.366 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -8.654 -0.269 -0.715 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -9.405 1.542 -2.253 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.915 1.958 0.154 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.652 3.404 -3.668 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -5.158 3.818 -1.261 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.529 4.549 -3.173 1.00 0.00 H new ATOM 704 N LYS A 47 -9.197 0.080 3.296 1.00 0.00 N ATOM 705 CA LYS A 47 -9.352 -0.918 4.349 1.00 0.00 C ATOM 706 C LYS A 47 -8.441 -2.116 4.101 1.00 0.00 C ATOM 707 O LYS A 47 -8.850 -3.265 4.271 1.00 0.00 O ATOM 708 CB LYS A 47 -10.809 -1.379 4.432 1.00 0.00 C ATOM 709 CG LYS A 47 -11.814 -0.249 4.294 1.00 0.00 C ATOM 710 CD LYS A 47 -12.101 0.409 5.633 1.00 0.00 C ATOM 711 CE LYS A 47 -13.067 -0.421 6.466 1.00 0.00 C ATOM 712 NZ LYS A 47 -14.485 -0.052 6.202 1.00 0.00 N ATOM 0 H LYS A 47 -8.985 1.019 3.633 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.068 -0.459 5.296 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.993 -2.115 3.650 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.968 -1.881 5.386 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.432 0.496 3.596 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.741 -0.635 3.871 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.168 0.543 6.181 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.520 1.402 5.469 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.920 -1.478 6.246 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.846 -0.282 7.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.112 -0.640 6.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.632 0.951 6.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.703 -0.209 5.197 1.00 0.00 H new ATOM 726 N VAL A 48 -7.205 -1.841 3.698 1.00 0.00 N ATOM 727 CA VAL A 48 -6.235 -2.896 3.429 1.00 0.00 C ATOM 728 C VAL A 48 -5.085 -2.853 4.429 1.00 0.00 C ATOM 729 O VAL A 48 -5.013 -1.958 5.270 1.00 0.00 O ATOM 730 CB VAL A 48 -5.666 -2.786 2.003 1.00 0.00 C ATOM 731 CG1 VAL A 48 -6.752 -3.054 0.972 1.00 0.00 C ATOM 732 CG2 VAL A 48 -5.039 -1.417 1.784 1.00 0.00 C ATOM 0 H VAL A 48 -6.851 -0.896 3.550 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.763 -3.844 3.528 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.889 -3.541 1.882 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.331 -2.972 -0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.151 -4.058 1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.553 -2.325 1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.642 -1.357 0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.795 -0.644 1.924 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.231 -1.268 2.500 1.00 0.00 H new ATOM 742 N ASP A 49 -4.186 -3.827 4.330 1.00 0.00 N ATOM 743 CA ASP A 49 -3.036 -3.900 5.224 1.00 0.00 C ATOM 744 C ASP A 49 -1.736 -3.985 4.431 1.00 0.00 C ATOM 745 O ASP A 49 -1.339 -5.062 3.985 1.00 0.00 O ATOM 746 CB ASP A 49 -3.162 -5.108 6.153 1.00 0.00 C ATOM 747 CG ASP A 49 -2.469 -4.890 7.483 1.00 0.00 C ATOM 748 OD1 ASP A 49 -2.306 -3.718 7.883 1.00 0.00 O ATOM 749 OD2 ASP A 49 -2.090 -5.891 8.126 1.00 0.00 O ATOM 0 H ASP A 49 -4.232 -4.577 3.640 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.015 -2.991 5.824 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.217 -5.321 6.327 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.737 -5.984 5.664 1.00 0.00 H new ATOM 754 N ILE A 50 -1.079 -2.843 4.259 1.00 0.00 N ATOM 755 CA ILE A 50 0.177 -2.789 3.520 1.00 0.00 C ATOM 756 C ILE A 50 1.354 -3.181 4.406 1.00 0.00 C ATOM 757 O ILE A 50 1.497 -2.683 5.523 1.00 0.00 O ATOM 758 CB ILE A 50 0.430 -1.384 2.942 1.00 0.00 C ATOM 759 CG1 ILE A 50 -0.717 -0.975 2.016 1.00 0.00 C ATOM 760 CG2 ILE A 50 1.757 -1.348 2.198 1.00 0.00 C ATOM 761 CD1 ILE A 50 -0.653 0.471 1.575 1.00 0.00 C ATOM 0 H ILE A 50 -1.395 -1.943 4.621 1.00 0.00 H new ATOM 0 HA ILE A 50 0.091 -3.501 2.699 1.00 0.00 H new ATOM 0 HB ILE A 50 0.478 -0.672 3.766 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.707 -1.616 1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.664 -1.149 2.526 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.921 -0.349 1.795 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.566 -1.600 2.884 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.736 -2.069 1.381 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.497 0.690 0.921 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.694 1.120 2.450 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.278 0.646 1.036 1.00 0.00 H new ATOM 773 N ARG A 51 2.196 -4.077 3.901 1.00 0.00 N ATOM 774 CA ARG A 51 3.361 -4.536 4.646 1.00 0.00 C ATOM 775 C ARG A 51 4.641 -4.309 3.848 1.00 0.00 C ATOM 776 O ARG A 51 4.788 -4.811 2.733 1.00 0.00 O ATOM 777 CB ARG A 51 3.220 -6.020 4.992 1.00 0.00 C ATOM 778 CG ARG A 51 4.036 -6.443 6.202 1.00 0.00 C ATOM 779 CD ARG A 51 3.315 -6.121 7.501 1.00 0.00 C ATOM 780 NE ARG A 51 4.121 -6.455 8.672 1.00 0.00 N ATOM 781 CZ ARG A 51 3.755 -6.181 9.919 1.00 0.00 C ATOM 782 NH1 ARG A 51 2.601 -5.572 10.156 1.00 0.00 N ATOM 783 NH2 ARG A 51 4.543 -6.516 10.933 1.00 0.00 N ATOM 0 H ARG A 51 2.092 -4.499 2.978 1.00 0.00 H new ATOM 0 HA ARG A 51 3.421 -3.959 5.569 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.169 -6.243 5.177 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.526 -6.616 4.132 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.236 -7.513 6.151 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.002 -5.937 6.186 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.065 -5.060 7.524 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.375 -6.671 7.539 1.00 0.00 H new ATOM 0 HE ARG A 51 5.014 -6.925 8.524 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.992 -5.313 9.380 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.322 -5.363 11.115 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.431 -6.985 10.755 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.260 -6.305 11.890 1.00 0.00 H new ATOM 797 N PHE A 52 5.565 -3.548 4.425 1.00 0.00 N ATOM 798 CA PHE A 52 6.833 -3.252 3.768 1.00 0.00 C ATOM 799 C PHE A 52 7.875 -4.320 4.089 1.00 0.00 C ATOM 800 O PHE A 52 7.811 -4.995 5.117 1.00 0.00 O ATOM 801 CB PHE A 52 7.346 -1.876 4.197 1.00 0.00 C ATOM 802 CG PHE A 52 6.674 -0.737 3.487 1.00 0.00 C ATOM 803 CD1 PHE A 52 7.048 -0.389 2.199 1.00 0.00 C ATOM 804 CD2 PHE A 52 5.668 -0.013 4.107 1.00 0.00 C ATOM 805 CE1 PHE A 52 6.431 0.659 1.542 1.00 0.00 C ATOM 806 CE2 PHE A 52 5.047 1.035 3.454 1.00 0.00 C ATOM 807 CZ PHE A 52 5.430 1.373 2.171 1.00 0.00 C ATOM 0 H PHE A 52 5.459 -3.125 5.347 1.00 0.00 H new ATOM 0 HA PHE A 52 6.663 -3.248 2.691 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.199 -1.761 5.271 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.419 -1.824 4.015 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.831 -0.943 1.703 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.366 -0.271 5.111 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.731 0.919 0.538 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.262 1.590 3.947 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.948 2.194 1.661 1.00 0.00 H new ATOM 817 N PRO A 53 8.858 -4.476 3.190 1.00 0.00 N ATOM 818 CA PRO A 53 9.932 -5.460 3.356 1.00 0.00 C ATOM 819 C PRO A 53 10.890 -5.088 4.483 1.00 0.00 C ATOM 820 O PRO A 53 11.566 -4.062 4.421 1.00 0.00 O ATOM 821 CB PRO A 53 10.655 -5.425 2.007 1.00 0.00 C ATOM 822 CG PRO A 53 10.373 -4.068 1.460 1.00 0.00 C ATOM 823 CD PRO A 53 8.996 -3.706 1.943 1.00 0.00 C ATOM 0 HA PRO A 53 9.546 -6.444 3.624 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.726 -5.588 2.128 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.287 -6.205 1.340 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.111 -3.346 1.808 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.417 -4.069 0.371 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.901 -2.635 2.120 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.231 -3.978 1.216 1.00 0.00 H new ATOM 831 N GLN A 54 10.941 -5.930 5.510 1.00 0.00 N ATOM 832 CA GLN A 54 11.817 -5.688 6.651 1.00 0.00 C ATOM 833 C GLN A 54 13.271 -5.973 6.292 1.00 0.00 C ATOM 834 O GLN A 54 13.577 -6.367 5.166 1.00 0.00 O ATOM 835 CB GLN A 54 11.393 -6.556 7.838 1.00 0.00 C ATOM 836 CG GLN A 54 9.991 -6.254 8.343 1.00 0.00 C ATOM 837 CD GLN A 54 9.947 -5.043 9.254 1.00 0.00 C ATOM 838 OE1 GLN A 54 10.868 -4.226 9.265 1.00 0.00 O ATOM 839 NE2 GLN A 54 8.873 -4.921 10.025 1.00 0.00 N ATOM 0 H GLN A 54 10.387 -6.784 5.576 1.00 0.00 H new ATOM 0 HA GLN A 54 11.730 -4.637 6.927 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.447 -7.605 7.548 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.102 -6.414 8.653 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.330 -6.088 7.492 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.607 -7.122 8.880 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.133 -5.622 9.984 1.00 0.00 H new ATOM 0 HE22 GLN A 54 8.788 -4.126 10.659 1.00 0.00 H new ATOM 848 N SER A 55 14.164 -5.770 7.255 1.00 0.00 N ATOM 849 CA SER A 55 15.588 -6.001 7.038 1.00 0.00 C ATOM 850 C SER A 55 15.851 -7.456 6.663 1.00 0.00 C ATOM 851 O SER A 55 16.914 -7.792 6.142 1.00 0.00 O ATOM 852 CB SER A 55 16.382 -5.634 8.294 1.00 0.00 C ATOM 853 OG SER A 55 16.335 -4.239 8.538 1.00 0.00 O ATOM 0 H SER A 55 13.927 -5.446 8.193 1.00 0.00 H new ATOM 0 HA SER A 55 15.913 -5.367 6.213 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.978 -6.170 9.153 1.00 0.00 H new ATOM 0 HB3 SER A 55 17.418 -5.951 8.178 1.00 0.00 H new ATOM 0 HG SER A 55 16.848 -4.031 9.346 1.00 0.00 H new ATOM 859 N GLY A 56 14.874 -8.317 6.933 1.00 0.00 N ATOM 860 CA GLY A 56 15.019 -9.726 6.617 1.00 0.00 C ATOM 861 C GLY A 56 14.123 -10.159 5.473 1.00 0.00 C ATOM 862 O GLY A 56 13.866 -11.349 5.294 1.00 0.00 O ATOM 0 H GLY A 56 13.985 -8.064 7.365 1.00 0.00 H new ATOM 0 HA2 GLY A 56 16.058 -9.932 6.359 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.786 -10.319 7.501 1.00 0.00 H new ATOM 866 N ALA A 57 13.645 -9.190 4.699 1.00 0.00 N ATOM 867 CA ALA A 57 12.774 -9.478 3.566 1.00 0.00 C ATOM 868 C ALA A 57 13.585 -9.757 2.306 1.00 0.00 C ATOM 869 O ALA A 57 14.629 -9.151 2.063 1.00 0.00 O ATOM 870 CB ALA A 57 11.813 -8.321 3.333 1.00 0.00 C ATOM 0 H ALA A 57 13.846 -8.199 4.836 1.00 0.00 H new ATOM 0 HA ALA A 57 12.198 -10.373 3.800 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.168 -8.549 2.484 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.202 -8.171 4.223 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.380 -7.414 3.125 1.00 0.00 H new ATOM 876 N PRO A 58 13.097 -10.697 1.483 1.00 0.00 N ATOM 877 CA PRO A 58 13.762 -11.078 0.233 1.00 0.00 C ATOM 878 C PRO A 58 13.688 -9.979 -0.821 1.00 0.00 C ATOM 879 O PRO A 58 14.640 -9.761 -1.571 1.00 0.00 O ATOM 880 CB PRO A 58 12.977 -12.311 -0.224 1.00 0.00 C ATOM 881 CG PRO A 58 11.631 -12.154 0.395 1.00 0.00 C ATOM 882 CD PRO A 58 11.858 -11.460 1.709 1.00 0.00 C ATOM 0 HA PRO A 58 14.827 -11.262 0.377 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.910 -12.357 -1.311 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.459 -13.232 0.105 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.972 -11.569 -0.247 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.154 -13.123 0.543 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.025 -10.806 1.967 1.00 0.00 H new ATOM 0 HD3 PRO A 58 11.969 -12.173 2.526 1.00 0.00 H new ATOM 890 N ASP A 59 12.555 -9.288 -0.871 1.00 0.00 N ATOM 891 CA ASP A 59 12.358 -8.210 -1.832 1.00 0.00 C ATOM 892 C ASP A 59 12.208 -6.868 -1.121 1.00 0.00 C ATOM 893 O ASP A 59 11.112 -6.465 -0.730 1.00 0.00 O ATOM 894 CB ASP A 59 11.126 -8.485 -2.695 1.00 0.00 C ATOM 895 CG ASP A 59 11.403 -9.489 -3.797 1.00 0.00 C ATOM 896 OD1 ASP A 59 12.576 -9.611 -4.206 1.00 0.00 O ATOM 897 OD2 ASP A 59 10.446 -10.151 -4.250 1.00 0.00 O ATOM 0 H ASP A 59 11.758 -9.456 -0.257 1.00 0.00 H new ATOM 0 HA ASP A 59 13.238 -8.164 -2.474 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.319 -8.857 -2.063 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.780 -7.551 -3.137 1.00 0.00 H new ATOM 902 N PRO A 60 13.334 -6.160 -0.948 1.00 0.00 N ATOM 903 CA PRO A 60 13.353 -4.854 -0.283 1.00 0.00 C ATOM 904 C PRO A 60 12.682 -3.769 -1.117 1.00 0.00 C ATOM 905 O PRO A 60 12.550 -2.627 -0.677 1.00 0.00 O ATOM 906 CB PRO A 60 14.847 -4.560 -0.123 1.00 0.00 C ATOM 907 CG PRO A 60 15.505 -5.339 -1.209 1.00 0.00 C ATOM 908 CD PRO A 60 14.674 -6.580 -1.389 1.00 0.00 C ATOM 0 HA PRO A 60 12.804 -4.867 0.659 1.00 0.00 H new ATOM 0 HB2 PRO A 60 15.053 -3.494 -0.220 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.208 -4.867 0.859 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.549 -4.761 -2.132 1.00 0.00 H new ATOM 0 HG3 PRO A 60 16.531 -5.592 -0.942 1.00 0.00 H new ATOM 0 HD2 PRO A 60 14.669 -6.913 -2.427 1.00 0.00 H new ATOM 0 HD3 PRO A 60 15.053 -7.408 -0.790 1.00 0.00 H new ATOM 916 N ASN A 61 12.260 -4.132 -2.324 1.00 0.00 N ATOM 917 CA ASN A 61 11.602 -3.188 -3.220 1.00 0.00 C ATOM 918 C ASN A 61 10.179 -3.638 -3.535 1.00 0.00 C ATOM 919 O ASN A 61 9.545 -3.127 -4.459 1.00 0.00 O ATOM 920 CB ASN A 61 12.401 -3.043 -4.517 1.00 0.00 C ATOM 921 CG ASN A 61 13.148 -4.311 -4.881 1.00 0.00 C ATOM 922 OD1 ASN A 61 12.543 -5.316 -5.255 1.00 0.00 O ATOM 923 ND2 ASN A 61 14.471 -4.270 -4.772 1.00 0.00 N ATOM 0 H ASN A 61 12.362 -5.073 -2.704 1.00 0.00 H new ATOM 0 HA ASN A 61 11.556 -2.221 -2.718 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.725 -2.777 -5.329 1.00 0.00 H new ATOM 0 HB3 ASN A 61 13.112 -2.223 -4.413 1.00 0.00 H new ATOM 0 HD21 ASN A 61 15.027 -5.093 -5.002 1.00 0.00 H new ATOM 0 HD22 ASN A 61 14.931 -3.415 -4.458 1.00 0.00 H new ATOM 930 N CYS A 62 9.682 -4.595 -2.759 1.00 0.00 N ATOM 931 CA CYS A 62 8.333 -5.114 -2.954 1.00 0.00 C ATOM 932 C CYS A 62 7.543 -5.081 -1.650 1.00 0.00 C ATOM 933 O CYS A 62 8.100 -5.277 -0.570 1.00 0.00 O ATOM 934 CB CYS A 62 8.387 -6.544 -3.495 1.00 0.00 C ATOM 935 SG CYS A 62 6.857 -7.093 -4.285 1.00 0.00 S ATOM 0 H CYS A 62 10.193 -5.027 -1.989 1.00 0.00 H new ATOM 0 HA CYS A 62 7.828 -4.477 -3.680 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.202 -6.618 -4.215 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.624 -7.222 -2.675 1.00 0.00 H new ATOM 0 HG CYS A 62 7.002 -8.312 -4.712 1.00 0.00 H new ATOM 941 N VAL A 63 6.242 -4.829 -1.758 1.00 0.00 N ATOM 942 CA VAL A 63 5.375 -4.769 -0.587 1.00 0.00 C ATOM 943 C VAL A 63 4.259 -5.804 -0.676 1.00 0.00 C ATOM 944 O VAL A 63 3.895 -6.249 -1.764 1.00 0.00 O ATOM 945 CB VAL A 63 4.752 -3.370 -0.422 1.00 0.00 C ATOM 946 CG1 VAL A 63 5.837 -2.306 -0.361 1.00 0.00 C ATOM 947 CG2 VAL A 63 3.776 -3.085 -1.553 1.00 0.00 C ATOM 0 H VAL A 63 5.765 -4.663 -2.644 1.00 0.00 H new ATOM 0 HA VAL A 63 5.998 -4.986 0.281 1.00 0.00 H new ATOM 0 HB VAL A 63 4.200 -3.345 0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.378 -1.324 -0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.493 -2.503 0.487 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.419 -2.327 -1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.345 -2.093 -1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.302 -3.128 -2.507 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.980 -3.830 -1.543 1.00 0.00 H new ATOM 957 N THR A 64 3.718 -6.183 0.478 1.00 0.00 N ATOM 958 CA THR A 64 2.644 -7.166 0.531 1.00 0.00 C ATOM 959 C THR A 64 1.357 -6.546 1.065 1.00 0.00 C ATOM 960 O THR A 64 1.251 -6.237 2.252 1.00 0.00 O ATOM 961 CB THR A 64 3.026 -8.368 1.415 1.00 0.00 C ATOM 962 OG1 THR A 64 4.164 -9.040 0.863 1.00 0.00 O ATOM 963 CG2 THR A 64 1.864 -9.343 1.534 1.00 0.00 C ATOM 0 H THR A 64 4.006 -5.824 1.388 1.00 0.00 H new ATOM 0 HA THR A 64 2.481 -7.512 -0.490 1.00 0.00 H new ATOM 0 HB THR A 64 3.271 -7.996 2.410 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.402 -9.802 1.432 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.157 -10.184 2.163 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.008 -8.837 1.981 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.593 -9.708 0.544 1.00 0.00 H new ATOM 971 N VAL A 65 0.381 -6.366 0.181 1.00 0.00 N ATOM 972 CA VAL A 65 -0.900 -5.785 0.564 1.00 0.00 C ATOM 973 C VAL A 65 -1.922 -6.869 0.886 1.00 0.00 C ATOM 974 O VAL A 65 -2.002 -7.887 0.197 1.00 0.00 O ATOM 975 CB VAL A 65 -1.461 -4.880 -0.549 1.00 0.00 C ATOM 976 CG1 VAL A 65 -2.737 -4.194 -0.088 1.00 0.00 C ATOM 977 CG2 VAL A 65 -0.420 -3.856 -0.978 1.00 0.00 C ATOM 0 H VAL A 65 0.453 -6.614 -0.806 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.720 -5.184 1.455 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.703 -5.502 -1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.118 -3.559 -0.888 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.484 -4.947 0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.525 -3.584 0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.833 -3.225 -1.765 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.145 -3.237 -0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.464 -4.371 -1.353 1.00 0.00 H new ATOM 987 N THR A 66 -2.703 -6.645 1.938 1.00 0.00 N ATOM 988 CA THR A 66 -3.720 -7.603 2.352 1.00 0.00 C ATOM 989 C THR A 66 -5.119 -7.014 2.212 1.00 0.00 C ATOM 990 O THR A 66 -5.320 -5.814 2.392 1.00 0.00 O ATOM 991 CB THR A 66 -3.509 -8.051 3.811 1.00 0.00 C ATOM 992 OG1 THR A 66 -2.136 -8.401 4.021 1.00 0.00 O ATOM 993 CG2 THR A 66 -4.397 -9.240 4.146 1.00 0.00 C ATOM 0 H THR A 66 -2.650 -5.808 2.519 1.00 0.00 H new ATOM 0 HA THR A 66 -3.625 -8.468 1.696 1.00 0.00 H new ATOM 0 HB THR A 66 -3.777 -7.222 4.465 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.009 -8.683 4.951 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.230 -9.538 5.181 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.443 -8.962 4.012 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.155 -10.072 3.485 1.00 0.00 H new ATOM 1001 N GLY A 67 -6.086 -7.868 1.889 1.00 0.00 N ATOM 1002 CA GLY A 67 -7.455 -7.414 1.730 1.00 0.00 C ATOM 1003 C GLY A 67 -8.138 -8.039 0.530 1.00 0.00 C ATOM 1004 O GLY A 67 -7.512 -8.768 -0.241 1.00 0.00 O ATOM 0 H GLY A 67 -5.945 -8.866 1.735 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.020 -7.652 2.631 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.465 -6.329 1.625 1.00 0.00 H new ATOM 1008 N LEU A 68 -9.426 -7.755 0.370 1.00 0.00 N ATOM 1009 CA LEU A 68 -10.196 -8.296 -0.744 1.00 0.00 C ATOM 1010 C LEU A 68 -9.538 -7.955 -2.077 1.00 0.00 C ATOM 1011 O LEU A 68 -8.819 -6.964 -2.207 1.00 0.00 O ATOM 1012 CB LEU A 68 -11.626 -7.753 -0.714 1.00 0.00 C ATOM 1013 CG LEU A 68 -12.569 -8.400 0.301 1.00 0.00 C ATOM 1014 CD1 LEU A 68 -12.630 -9.904 0.088 1.00 0.00 C ATOM 1015 CD2 LEU A 68 -12.126 -8.078 1.721 1.00 0.00 C ATOM 0 H LEU A 68 -9.959 -7.153 0.998 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.224 -9.381 -0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -11.583 -6.683 -0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -12.059 -7.870 -1.708 1.00 0.00 H new ATOM 0 HG LEU A 68 -13.569 -7.991 0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -13.306 -10.348 0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -12.994 -10.115 -0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.634 -10.329 0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.808 -8.546 2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -11.117 -8.458 1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.134 -6.998 1.869 1.00 0.00 H new ATOM 1027 N PRO A 69 -9.790 -8.792 -3.094 1.00 0.00 N ATOM 1028 CA PRO A 69 -9.234 -8.598 -4.436 1.00 0.00 C ATOM 1029 C PRO A 69 -9.843 -7.395 -5.148 1.00 0.00 C ATOM 1030 O PRO A 69 -9.333 -6.947 -6.174 1.00 0.00 O ATOM 1031 CB PRO A 69 -9.603 -9.893 -5.164 1.00 0.00 C ATOM 1032 CG PRO A 69 -10.808 -10.399 -4.450 1.00 0.00 C ATOM 1033 CD PRO A 69 -10.638 -9.994 -3.012 1.00 0.00 C ATOM 0 HA PRO A 69 -8.163 -8.399 -4.408 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.815 -9.708 -6.217 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.787 -10.615 -5.125 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -11.719 -9.972 -4.871 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.891 -11.482 -4.543 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.596 -9.778 -2.539 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.164 -10.781 -2.426 1.00 0.00 H new ATOM 1041 N GLU A 70 -10.936 -6.878 -4.596 1.00 0.00 N ATOM 1042 CA GLU A 70 -11.614 -5.726 -5.179 1.00 0.00 C ATOM 1043 C GLU A 70 -11.050 -4.423 -4.622 1.00 0.00 C ATOM 1044 O GLU A 70 -11.020 -3.403 -5.310 1.00 0.00 O ATOM 1045 CB GLU A 70 -13.118 -5.801 -4.908 1.00 0.00 C ATOM 1046 CG GLU A 70 -13.473 -5.764 -3.431 1.00 0.00 C ATOM 1047 CD GLU A 70 -14.859 -6.310 -3.150 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -14.985 -7.536 -2.948 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -15.819 -5.511 -3.133 1.00 0.00 O ATOM 0 H GLU A 70 -11.371 -7.238 -3.747 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.445 -5.744 -6.256 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.611 -4.970 -5.413 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.512 -6.719 -5.345 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.738 -6.342 -2.870 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.412 -4.737 -3.072 1.00 0.00 H new ATOM 1056 N ASN A 71 -10.603 -4.465 -3.371 1.00 0.00 N ATOM 1057 CA ASN A 71 -10.041 -3.287 -2.720 1.00 0.00 C ATOM 1058 C ASN A 71 -8.537 -3.197 -2.964 1.00 0.00 C ATOM 1059 O ASN A 71 -8.006 -2.123 -3.246 1.00 0.00 O ATOM 1060 CB ASN A 71 -10.324 -3.325 -1.217 1.00 0.00 C ATOM 1061 CG ASN A 71 -11.773 -3.015 -0.894 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -12.333 -2.033 -1.382 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -12.387 -3.854 -0.069 1.00 0.00 N ATOM 0 H ASN A 71 -10.619 -5.302 -2.788 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.515 -2.404 -3.149 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.070 -4.311 -0.827 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.680 -2.606 -0.710 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.363 -3.698 0.184 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.883 -4.655 0.312 1.00 0.00 H new ATOM 1070 N VAL A 72 -7.856 -4.334 -2.852 1.00 0.00 N ATOM 1071 CA VAL A 72 -6.414 -4.384 -3.061 1.00 0.00 C ATOM 1072 C VAL A 72 -6.036 -3.809 -4.421 1.00 0.00 C ATOM 1073 O VAL A 72 -5.149 -2.962 -4.522 1.00 0.00 O ATOM 1074 CB VAL A 72 -5.883 -5.827 -2.961 1.00 0.00 C ATOM 1075 CG1 VAL A 72 -4.405 -5.877 -3.315 1.00 0.00 C ATOM 1076 CG2 VAL A 72 -6.125 -6.387 -1.567 1.00 0.00 C ATOM 0 H VAL A 72 -8.280 -5.232 -2.618 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.959 -3.781 -2.275 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.425 -6.446 -3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.047 -6.904 -3.239 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.263 -5.518 -4.334 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.844 -5.245 -2.626 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.744 -7.407 -1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.610 -5.768 -0.832 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -7.194 -6.388 -1.356 1.00 0.00 H new ATOM 1086 N GLU A 73 -6.715 -4.275 -5.465 1.00 0.00 N ATOM 1087 CA GLU A 73 -6.449 -3.806 -6.820 1.00 0.00 C ATOM 1088 C GLU A 73 -6.493 -2.282 -6.886 1.00 0.00 C ATOM 1089 O GLU A 73 -5.663 -1.656 -7.545 1.00 0.00 O ATOM 1090 CB GLU A 73 -7.465 -4.400 -7.797 1.00 0.00 C ATOM 1091 CG GLU A 73 -8.891 -3.936 -7.549 1.00 0.00 C ATOM 1092 CD GLU A 73 -9.886 -4.579 -8.496 1.00 0.00 C ATOM 1093 OE1 GLU A 73 -9.472 -5.005 -9.594 1.00 0.00 O ATOM 1094 OE2 GLU A 73 -11.080 -4.655 -8.138 1.00 0.00 O ATOM 0 H GLU A 73 -7.453 -4.976 -5.398 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.449 -4.136 -7.102 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.177 -4.134 -8.814 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.429 -5.487 -7.729 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.171 -4.168 -6.521 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.941 -2.852 -7.656 1.00 0.00 H new ATOM 1101 N GLU A 74 -7.467 -1.693 -6.200 1.00 0.00 N ATOM 1102 CA GLU A 74 -7.619 -0.243 -6.183 1.00 0.00 C ATOM 1103 C GLU A 74 -6.448 0.419 -5.463 1.00 0.00 C ATOM 1104 O GLU A 74 -5.844 1.361 -5.974 1.00 0.00 O ATOM 1105 CB GLU A 74 -8.934 0.146 -5.504 1.00 0.00 C ATOM 1106 CG GLU A 74 -10.116 0.207 -6.457 1.00 0.00 C ATOM 1107 CD GLU A 74 -10.133 1.479 -7.283 1.00 0.00 C ATOM 1108 OE1 GLU A 74 -9.897 2.562 -6.709 1.00 0.00 O ATOM 1109 OE2 GLU A 74 -10.382 1.390 -8.504 1.00 0.00 O ATOM 0 H GLU A 74 -8.162 -2.197 -5.649 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.633 0.107 -7.215 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.152 -0.573 -4.714 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.813 1.118 -5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.085 -0.655 -7.124 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.042 0.136 -5.887 1.00 0.00 H new ATOM 1116 N ALA A 75 -6.133 -0.082 -4.273 1.00 0.00 N ATOM 1117 CA ALA A 75 -5.034 0.459 -3.483 1.00 0.00 C ATOM 1118 C ALA A 75 -3.751 0.529 -4.304 1.00 0.00 C ATOM 1119 O ALA A 75 -3.124 1.584 -4.404 1.00 0.00 O ATOM 1120 CB ALA A 75 -4.818 -0.382 -2.233 1.00 0.00 C ATOM 0 H ALA A 75 -6.623 -0.862 -3.835 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.299 1.473 -3.184 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.994 0.034 -1.653 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.726 -0.377 -1.630 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.579 -1.406 -2.520 1.00 0.00 H new ATOM 1126 N ILE A 76 -3.365 -0.600 -4.888 1.00 0.00 N ATOM 1127 CA ILE A 76 -2.156 -0.665 -5.700 1.00 0.00 C ATOM 1128 C ILE A 76 -2.043 0.549 -6.615 1.00 0.00 C ATOM 1129 O ILE A 76 -1.042 1.265 -6.592 1.00 0.00 O ATOM 1130 CB ILE A 76 -2.122 -1.945 -6.556 1.00 0.00 C ATOM 1131 CG1 ILE A 76 -2.082 -3.184 -5.660 1.00 0.00 C ATOM 1132 CG2 ILE A 76 -0.923 -1.924 -7.492 1.00 0.00 C ATOM 1133 CD1 ILE A 76 -2.301 -4.480 -6.409 1.00 0.00 C ATOM 0 H ILE A 76 -3.872 -1.482 -4.814 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.312 -0.676 -5.010 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.029 -1.985 -7.159 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.118 -3.225 -5.154 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.844 -3.088 -4.887 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.913 -2.835 -8.090 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.991 -1.058 -8.151 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.005 -1.864 -6.907 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.259 -5.316 -5.710 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.277 -4.460 -6.893 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.524 -4.600 -7.164 1.00 0.00 H new ATOM 1145 N ASP A 77 -3.076 0.775 -7.419 1.00 0.00 N ATOM 1146 CA ASP A 77 -3.095 1.905 -8.341 1.00 0.00 C ATOM 1147 C ASP A 77 -2.708 3.196 -7.626 1.00 0.00 C ATOM 1148 O ASP A 77 -2.053 4.065 -8.203 1.00 0.00 O ATOM 1149 CB ASP A 77 -4.480 2.052 -8.973 1.00 0.00 C ATOM 1150 CG ASP A 77 -4.443 2.832 -10.273 1.00 0.00 C ATOM 1151 OD1 ASP A 77 -3.420 2.751 -10.985 1.00 0.00 O ATOM 1152 OD2 ASP A 77 -5.437 3.522 -10.578 1.00 0.00 O ATOM 0 H ASP A 77 -3.911 0.191 -7.451 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.365 1.713 -9.127 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.899 1.063 -9.158 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.145 2.554 -8.270 1.00 0.00 H new ATOM 1157 N HIS A 78 -3.120 3.316 -6.368 1.00 0.00 N ATOM 1158 CA HIS A 78 -2.817 4.501 -5.574 1.00 0.00 C ATOM 1159 C HIS A 78 -1.346 4.522 -5.168 1.00 0.00 C ATOM 1160 O HIS A 78 -0.712 5.577 -5.152 1.00 0.00 O ATOM 1161 CB HIS A 78 -3.703 4.547 -4.329 1.00 0.00 C ATOM 1162 CG HIS A 78 -3.449 5.738 -3.457 1.00 0.00 C ATOM 1163 ND1 HIS A 78 -4.333 6.789 -3.342 1.00 0.00 N ATOM 1164 CD2 HIS A 78 -2.402 6.039 -2.653 1.00 0.00 C ATOM 1165 CE1 HIS A 78 -3.841 7.687 -2.507 1.00 0.00 C ATOM 1166 NE2 HIS A 78 -2.670 7.255 -2.074 1.00 0.00 N ATOM 0 H HIS A 78 -3.665 2.607 -5.877 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.019 5.380 -6.187 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -4.749 4.549 -4.637 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -3.544 3.640 -3.746 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -5.228 6.862 -3.826 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -1.520 5.435 -2.496 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -4.315 8.616 -2.226 1.00 0.00 H new ATOM 1174 N ILE A 79 -0.812 3.351 -4.839 1.00 0.00 N ATOM 1175 CA ILE A 79 0.583 3.236 -4.433 1.00 0.00 C ATOM 1176 C ILE A 79 1.521 3.609 -5.576 1.00 0.00 C ATOM 1177 O ILE A 79 2.305 4.553 -5.467 1.00 0.00 O ATOM 1178 CB ILE A 79 0.915 1.809 -3.957 1.00 0.00 C ATOM 1179 CG1 ILE A 79 -0.036 1.388 -2.835 1.00 0.00 C ATOM 1180 CG2 ILE A 79 2.361 1.728 -3.492 1.00 0.00 C ATOM 1181 CD1 ILE A 79 0.294 0.037 -2.239 1.00 0.00 C ATOM 0 H ILE A 79 -1.324 2.469 -4.846 1.00 0.00 H new ATOM 0 HA ILE A 79 0.729 3.930 -3.605 1.00 0.00 H new ATOM 0 HB ILE A 79 0.785 1.123 -4.794 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.010 2.140 -2.046 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.055 1.366 -3.222 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.580 0.713 -3.159 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.024 1.990 -4.317 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.517 2.423 -2.667 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.421 -0.197 -1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.240 -0.726 -3.015 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.301 0.060 -1.822 1.00 0.00 H new ATOM 1193 N LEU A 80 1.435 2.865 -6.672 1.00 0.00 N ATOM 1194 CA LEU A 80 2.274 3.118 -7.838 1.00 0.00 C ATOM 1195 C LEU A 80 2.132 4.563 -8.307 1.00 0.00 C ATOM 1196 O LEU A 80 3.097 5.176 -8.761 1.00 0.00 O ATOM 1197 CB LEU A 80 1.907 2.162 -8.974 1.00 0.00 C ATOM 1198 CG LEU A 80 2.661 0.833 -9.003 1.00 0.00 C ATOM 1199 CD1 LEU A 80 2.000 -0.136 -9.971 1.00 0.00 C ATOM 1200 CD2 LEU A 80 4.119 1.055 -9.380 1.00 0.00 C ATOM 0 H LEU A 80 0.792 2.080 -6.778 1.00 0.00 H new ATOM 0 HA LEU A 80 3.312 2.948 -7.551 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.840 1.950 -8.913 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.076 2.674 -9.921 1.00 0.00 H new ATOM 0 HG LEU A 80 2.627 0.397 -8.005 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.551 -1.076 -9.978 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.973 -0.320 -9.657 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.002 0.293 -10.973 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.641 0.098 -9.396 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.174 1.514 -10.367 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.588 1.712 -8.648 1.00 0.00 H new ATOM 1212 N ASN A 81 0.922 5.100 -8.192 1.00 0.00 N ATOM 1213 CA ASN A 81 0.654 6.474 -8.604 1.00 0.00 C ATOM 1214 C ASN A 81 1.616 7.443 -7.924 1.00 0.00 C ATOM 1215 O ASN A 81 2.181 8.328 -8.568 1.00 0.00 O ATOM 1216 CB ASN A 81 -0.790 6.854 -8.272 1.00 0.00 C ATOM 1217 CG ASN A 81 -0.989 8.356 -8.192 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -0.216 9.126 -8.763 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -2.029 8.778 -7.483 1.00 0.00 N ATOM 0 H ASN A 81 0.112 4.606 -7.818 1.00 0.00 H new ATOM 0 HA ASN A 81 0.802 6.540 -9.682 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.455 6.442 -9.031 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.073 6.402 -7.321 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.214 9.777 -7.394 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.643 8.103 -7.027 1.00 0.00 H new ATOM 1226 N LEU A 82 1.798 7.270 -6.619 1.00 0.00 N ATOM 1227 CA LEU A 82 2.693 8.128 -5.851 1.00 0.00 C ATOM 1228 C LEU A 82 4.151 7.850 -6.204 1.00 0.00 C ATOM 1229 O LEU A 82 4.957 8.772 -6.320 1.00 0.00 O ATOM 1230 CB LEU A 82 2.471 7.919 -4.352 1.00 0.00 C ATOM 1231 CG LEU A 82 1.033 8.079 -3.858 1.00 0.00 C ATOM 1232 CD1 LEU A 82 0.942 7.773 -2.371 1.00 0.00 C ATOM 1233 CD2 LEU A 82 0.523 9.483 -4.148 1.00 0.00 C ATOM 0 H LEU A 82 1.338 6.543 -6.071 1.00 0.00 H new ATOM 0 HA LEU A 82 2.468 9.164 -6.104 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.815 6.918 -4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.101 8.624 -3.810 1.00 0.00 H new ATOM 0 HG LEU A 82 0.404 7.368 -4.393 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.089 7.892 -2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.266 6.748 -2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.584 8.459 -1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.502 9.579 -3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.155 10.212 -3.640 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.550 9.665 -5.222 1.00 0.00 H new ATOM 1245 N GLU A 83 4.480 6.574 -6.377 1.00 0.00 N ATOM 1246 CA GLU A 83 5.840 6.176 -6.718 1.00 0.00 C ATOM 1247 C GLU A 83 6.452 7.142 -7.729 1.00 0.00 C ATOM 1248 O GLU A 83 7.526 7.697 -7.499 1.00 0.00 O ATOM 1249 CB GLU A 83 5.853 4.754 -7.284 1.00 0.00 C ATOM 1250 CG GLU A 83 7.241 4.142 -7.363 1.00 0.00 C ATOM 1251 CD GLU A 83 7.373 3.138 -8.491 1.00 0.00 C ATOM 1252 OE1 GLU A 83 6.570 2.183 -8.533 1.00 0.00 O ATOM 1253 OE2 GLU A 83 8.280 3.308 -9.333 1.00 0.00 O ATOM 0 H GLU A 83 3.823 5.799 -6.287 1.00 0.00 H new ATOM 0 HA GLU A 83 6.438 6.202 -5.807 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.220 4.119 -6.663 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.413 4.765 -8.281 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.976 4.935 -7.500 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.472 3.652 -6.417 1.00 0.00 H new ATOM 1260 N GLU A 84 5.760 7.336 -8.847 1.00 0.00 N ATOM 1261 CA GLU A 84 6.237 8.234 -9.893 1.00 0.00 C ATOM 1262 C GLU A 84 6.401 9.654 -9.358 1.00 0.00 C ATOM 1263 O GLU A 84 7.383 10.331 -9.659 1.00 0.00 O ATOM 1264 CB GLU A 84 5.268 8.232 -11.077 1.00 0.00 C ATOM 1265 CG GLU A 84 5.617 9.249 -12.151 1.00 0.00 C ATOM 1266 CD GLU A 84 4.479 9.485 -13.124 1.00 0.00 C ATOM 1267 OE1 GLU A 84 4.032 8.509 -13.762 1.00 0.00 O ATOM 1268 OE2 GLU A 84 4.035 10.646 -13.247 1.00 0.00 O ATOM 0 H GLU A 84 4.869 6.884 -9.052 1.00 0.00 H new ATOM 0 HA GLU A 84 7.210 7.876 -10.228 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.253 7.237 -11.522 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.261 8.433 -10.712 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.887 10.193 -11.678 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.494 8.905 -12.700 1.00 0.00 H new ATOM 1275 N GLU A 85 5.431 10.096 -8.564 1.00 0.00 N ATOM 1276 CA GLU A 85 5.468 11.436 -7.989 1.00 0.00 C ATOM 1277 C GLU A 85 6.711 11.623 -7.124 1.00 0.00 C ATOM 1278 O GLU A 85 7.517 12.523 -7.361 1.00 0.00 O ATOM 1279 CB GLU A 85 4.210 11.692 -7.155 1.00 0.00 C ATOM 1280 CG GLU A 85 4.337 12.874 -6.210 1.00 0.00 C ATOM 1281 CD GLU A 85 4.638 14.171 -6.935 1.00 0.00 C ATOM 1282 OE1 GLU A 85 5.788 14.340 -7.395 1.00 0.00 O ATOM 1283 OE2 GLU A 85 3.727 15.017 -7.043 1.00 0.00 O ATOM 0 H GLU A 85 4.611 9.547 -8.304 1.00 0.00 H new ATOM 0 HA GLU A 85 5.505 12.154 -8.808 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.368 11.863 -7.826 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.980 10.798 -6.576 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.411 12.984 -5.646 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.129 12.674 -5.488 1.00 0.00 H new ATOM 1290 N TYR A 86 6.860 10.766 -6.119 1.00 0.00 N ATOM 1291 CA TYR A 86 8.002 10.838 -5.216 1.00 0.00 C ATOM 1292 C TYR A 86 9.314 10.836 -5.996 1.00 0.00 C ATOM 1293 O TYR A 86 10.081 11.799 -5.946 1.00 0.00 O ATOM 1294 CB TYR A 86 7.978 9.664 -4.235 1.00 0.00 C ATOM 1295 CG TYR A 86 7.050 9.876 -3.060 1.00 0.00 C ATOM 1296 CD1 TYR A 86 7.343 10.815 -2.079 1.00 0.00 C ATOM 1297 CD2 TYR A 86 5.880 9.138 -2.932 1.00 0.00 C ATOM 1298 CE1 TYR A 86 6.498 11.012 -1.004 1.00 0.00 C ATOM 1299 CE2 TYR A 86 5.029 9.329 -1.861 1.00 0.00 C ATOM 1300 CZ TYR A 86 5.342 10.266 -0.899 1.00 0.00 C ATOM 1301 OH TYR A 86 4.498 10.460 0.170 1.00 0.00 O ATOM 0 H TYR A 86 6.204 10.014 -5.910 1.00 0.00 H new ATOM 0 HA TYR A 86 7.933 11.772 -4.658 1.00 0.00 H new ATOM 0 HB2 TYR A 86 7.676 8.762 -4.768 1.00 0.00 H new ATOM 0 HB3 TYR A 86 8.988 9.491 -3.863 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.247 11.401 -2.158 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.632 8.402 -3.683 1.00 0.00 H new ATOM 0 HE1 TYR A 86 6.741 11.746 -0.250 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.123 8.747 -1.777 1.00 0.00 H new ATOM 0 HH TYR A 86 4.938 10.161 0.993 1.00 0.00 H new ATOM 1311 N LEU A 87 9.564 9.749 -6.717 1.00 0.00 N ATOM 1312 CA LEU A 87 10.782 9.620 -7.509 1.00 0.00 C ATOM 1313 C LEU A 87 11.029 10.877 -8.337 1.00 0.00 C ATOM 1314 O LEU A 87 12.171 11.295 -8.524 1.00 0.00 O ATOM 1315 CB LEU A 87 10.691 8.401 -8.428 1.00 0.00 C ATOM 1316 CG LEU A 87 11.185 7.079 -7.839 1.00 0.00 C ATOM 1317 CD1 LEU A 87 10.916 5.933 -8.802 1.00 0.00 C ATOM 1318 CD2 LEU A 87 12.668 7.163 -7.509 1.00 0.00 C ATOM 0 H LEU A 87 8.940 8.944 -6.770 1.00 0.00 H new ATOM 0 HA LEU A 87 11.619 9.488 -6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.651 8.275 -8.730 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.263 8.609 -9.332 1.00 0.00 H new ATOM 0 HG LEU A 87 10.638 6.888 -6.916 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.274 5.000 -8.366 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.845 5.859 -8.989 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.436 6.118 -9.742 1.00 0.00 H new ATOM 0 HD21 LEU A 87 13.002 6.213 -7.091 1.00 0.00 H new ATOM 0 HD22 LEU A 87 13.231 7.378 -8.417 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.835 7.958 -6.782 1.00 0.00 H new ATOM 1330 N ALA A 88 9.949 11.477 -8.828 1.00 0.00 N ATOM 1331 CA ALA A 88 10.048 12.689 -9.632 1.00 0.00 C ATOM 1332 C ALA A 88 10.994 13.698 -8.991 1.00 0.00 C ATOM 1333 O ALA A 88 11.772 14.358 -9.679 1.00 0.00 O ATOM 1334 CB ALA A 88 8.671 13.305 -9.830 1.00 0.00 C ATOM 0 H ALA A 88 8.996 11.143 -8.683 1.00 0.00 H new ATOM 0 HA ALA A 88 10.456 12.417 -10.606 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.760 14.209 -10.432 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.023 12.592 -10.340 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.242 13.556 -8.860 1.00 0.00 H new