USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=11 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= -0.0322 X(o=-0.032,f=-0.032) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.321 X(o=-0.32,f=-0.37) USER MOD Single : A 28 HIS : no HE2:sc= -2.99 X(o=-3,f=-3.4) USER MOD Single : A 37 LYS NZ :NH3+ -134:sc= -0.159 (180deg=-1.56!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 163:sc= 0 (180deg=-0.411) USER MOD Single : A 47 LYS NZ :NH3+ 160:sc= -0.0416 (180deg=-0.409) USER MOD Single : A 54 GLN : amide:sc= 0.0258 K(o=0.026,f=-4.7!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.194 USER MOD Single : A 61 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.46) USER MOD Single : A 62 CYS SG : rot 170:sc= -1.38 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= -0.0481 X(o=-0.048,f=-0.52) USER MOD Single : A 78 HIS : no HE2:sc= -1.11 X(o=-1.1,f=-1.3) USER MOD Single : A 81 ASN : amide:sc= -0.775 K(o=-0.78,f=-1.7!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 125 N GLY A 11 -15.178 -6.951 5.270 1.00 0.00 N ATOM 126 CA GLY A 11 -15.026 -8.278 4.702 1.00 0.00 C ATOM 127 C GLY A 11 -14.467 -9.275 5.698 1.00 0.00 C ATOM 128 O GLY A 11 -14.213 -8.932 6.852 1.00 0.00 O ATOM 0 HA2 GLY A 11 -15.994 -8.630 4.345 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.366 -8.226 3.836 1.00 0.00 H new ATOM 132 N GLU A 12 -14.279 -10.513 5.251 1.00 0.00 N ATOM 133 CA GLU A 12 -13.749 -11.563 6.114 1.00 0.00 C ATOM 134 C GLU A 12 -12.242 -11.712 5.927 1.00 0.00 C ATOM 135 O GLU A 12 -11.709 -11.442 4.850 1.00 0.00 O ATOM 136 CB GLU A 12 -14.444 -12.894 5.820 1.00 0.00 C ATOM 137 CG GLU A 12 -15.831 -13.004 6.430 1.00 0.00 C ATOM 138 CD GLU A 12 -15.843 -12.685 7.912 1.00 0.00 C ATOM 139 OE1 GLU A 12 -15.906 -11.487 8.260 1.00 0.00 O ATOM 140 OE2 GLU A 12 -15.790 -13.632 8.725 1.00 0.00 O ATOM 0 H GLU A 12 -14.485 -10.813 4.298 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.943 -11.280 7.149 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.520 -13.024 4.740 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.825 -13.708 6.196 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.507 -12.325 5.910 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -16.213 -14.013 6.276 1.00 0.00 H new ATOM 147 N LEU A 13 -11.561 -12.142 6.983 1.00 0.00 N ATOM 148 CA LEU A 13 -10.115 -12.326 6.938 1.00 0.00 C ATOM 149 C LEU A 13 -9.720 -13.256 5.795 1.00 0.00 C ATOM 150 O LEU A 13 -9.070 -12.838 4.838 1.00 0.00 O ATOM 151 CB LEU A 13 -9.611 -12.891 8.267 1.00 0.00 C ATOM 152 CG LEU A 13 -9.342 -11.868 9.372 1.00 0.00 C ATOM 153 CD1 LEU A 13 -10.643 -11.449 10.039 1.00 0.00 C ATOM 154 CD2 LEU A 13 -8.372 -12.434 10.399 1.00 0.00 C ATOM 0 H LEU A 13 -11.987 -12.370 7.881 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.655 -11.353 6.766 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.344 -13.609 8.635 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.690 -13.443 8.078 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.888 -10.986 8.921 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.432 -10.721 10.822 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.305 -11.002 9.297 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.126 -12.323 10.476 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.192 -11.692 11.177 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.798 -13.333 10.845 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.430 -12.683 9.911 1.00 0.00 H new ATOM 166 N GLU A 14 -10.120 -14.520 5.902 1.00 0.00 N ATOM 167 CA GLU A 14 -9.809 -15.508 4.876 1.00 0.00 C ATOM 168 C GLU A 14 -10.127 -14.967 3.485 1.00 0.00 C ATOM 169 O GLU A 14 -9.349 -15.144 2.548 1.00 0.00 O ATOM 170 CB GLU A 14 -10.593 -16.798 5.125 1.00 0.00 C ATOM 171 CG GLU A 14 -10.088 -17.598 6.314 1.00 0.00 C ATOM 172 CD GLU A 14 -10.537 -19.046 6.277 1.00 0.00 C ATOM 173 OE1 GLU A 14 -11.748 -19.297 6.454 1.00 0.00 O ATOM 174 OE2 GLU A 14 -9.678 -19.928 6.069 1.00 0.00 O ATOM 0 H GLU A 14 -10.659 -14.883 6.688 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.742 -15.724 4.927 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.642 -16.550 5.284 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.544 -17.421 4.232 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.999 -17.560 6.336 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.442 -17.135 7.235 1.00 0.00 H new ATOM 181 N GLN A 15 -11.274 -14.309 3.361 1.00 0.00 N ATOM 182 CA GLN A 15 -11.696 -13.743 2.084 1.00 0.00 C ATOM 183 C GLN A 15 -10.612 -12.840 1.505 1.00 0.00 C ATOM 184 O GLN A 15 -10.466 -12.732 0.288 1.00 0.00 O ATOM 185 CB GLN A 15 -12.995 -12.955 2.256 1.00 0.00 C ATOM 186 CG GLN A 15 -14.222 -13.835 2.430 1.00 0.00 C ATOM 187 CD GLN A 15 -14.632 -14.527 1.145 1.00 0.00 C ATOM 188 OE1 GLN A 15 -14.430 -15.731 0.983 1.00 0.00 O ATOM 189 NE2 GLN A 15 -15.211 -13.768 0.223 1.00 0.00 N ATOM 0 H GLN A 15 -11.928 -14.154 4.128 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.868 -14.565 1.389 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -12.901 -12.301 3.123 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.139 -12.313 1.387 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.020 -14.586 3.194 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -15.052 -13.227 2.791 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -15.359 -12.774 0.400 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -15.508 -14.178 -0.662 1.00 0.00 H new ATOM 198 N MET A 16 -9.854 -12.194 2.385 1.00 0.00 N ATOM 199 CA MET A 16 -8.783 -11.301 1.960 1.00 0.00 C ATOM 200 C MET A 16 -7.751 -12.049 1.122 1.00 0.00 C ATOM 201 O MET A 16 -7.589 -13.262 1.257 1.00 0.00 O ATOM 202 CB MET A 16 -8.106 -10.666 3.177 1.00 0.00 C ATOM 203 CG MET A 16 -9.058 -9.874 4.058 1.00 0.00 C ATOM 204 SD MET A 16 -8.196 -8.840 5.258 1.00 0.00 S ATOM 205 CE MET A 16 -9.574 -7.989 6.023 1.00 0.00 C ATOM 0 H MET A 16 -9.962 -12.272 3.396 1.00 0.00 H new ATOM 0 HA MET A 16 -9.222 -10.515 1.346 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.640 -11.450 3.773 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.307 -10.008 2.836 1.00 0.00 H new ATOM 0 HG2 MET A 16 -9.690 -9.246 3.430 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.717 -10.563 4.585 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.202 -7.310 6.790 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.115 -7.420 5.267 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.245 -8.718 6.478 1.00 0.00 H new ATOM 215 N VAL A 17 -7.055 -11.318 0.256 1.00 0.00 N ATOM 216 CA VAL A 17 -6.039 -11.913 -0.603 1.00 0.00 C ATOM 217 C VAL A 17 -4.738 -11.120 -0.545 1.00 0.00 C ATOM 218 O VAL A 17 -4.751 -9.894 -0.436 1.00 0.00 O ATOM 219 CB VAL A 17 -6.516 -11.991 -2.065 1.00 0.00 C ATOM 220 CG1 VAL A 17 -7.747 -12.877 -2.179 1.00 0.00 C ATOM 221 CG2 VAL A 17 -6.798 -10.599 -2.608 1.00 0.00 C ATOM 0 H VAL A 17 -7.177 -10.313 0.131 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.862 -12.923 -0.233 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.722 -12.436 -2.665 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.069 -12.920 -3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.506 -13.882 -1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.550 -12.465 -1.567 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.134 -10.673 -3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.574 -10.124 -2.007 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.888 -10.000 -2.564 1.00 0.00 H new ATOM 231 N SER A 18 -3.616 -11.829 -0.620 1.00 0.00 N ATOM 232 CA SER A 18 -2.305 -11.191 -0.573 1.00 0.00 C ATOM 233 C SER A 18 -1.766 -10.953 -1.981 1.00 0.00 C ATOM 234 O SER A 18 -1.811 -11.840 -2.832 1.00 0.00 O ATOM 235 CB SER A 18 -1.323 -12.054 0.221 1.00 0.00 C ATOM 236 OG SER A 18 -0.974 -13.224 -0.498 1.00 0.00 O ATOM 0 H SER A 18 -3.588 -12.844 -0.713 1.00 0.00 H new ATOM 0 HA SER A 18 -2.415 -10.227 -0.076 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.424 -11.478 0.442 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.768 -12.330 1.177 1.00 0.00 H new ATOM 0 HG SER A 18 -0.344 -13.757 0.031 1.00 0.00 H new ATOM 242 N GLU A 19 -1.258 -9.747 -2.217 1.00 0.00 N ATOM 243 CA GLU A 19 -0.711 -9.391 -3.521 1.00 0.00 C ATOM 244 C GLU A 19 0.636 -8.690 -3.373 1.00 0.00 C ATOM 245 O GLU A 19 0.829 -7.876 -2.470 1.00 0.00 O ATOM 246 CB GLU A 19 -1.688 -8.489 -4.279 1.00 0.00 C ATOM 247 CG GLU A 19 -2.847 -9.242 -4.910 1.00 0.00 C ATOM 248 CD GLU A 19 -3.979 -8.324 -5.329 1.00 0.00 C ATOM 249 OE1 GLU A 19 -3.809 -7.589 -6.324 1.00 0.00 O ATOM 250 OE2 GLU A 19 -5.035 -8.342 -4.662 1.00 0.00 O ATOM 0 H GLU A 19 -1.214 -9.001 -1.523 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.562 -10.310 -4.088 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.083 -7.739 -3.594 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.146 -7.954 -5.059 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.488 -9.791 -5.781 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.225 -9.979 -4.202 1.00 0.00 H new ATOM 257 N ASP A 20 1.565 -9.013 -4.266 1.00 0.00 N ATOM 258 CA ASP A 20 2.895 -8.415 -4.237 1.00 0.00 C ATOM 259 C ASP A 20 2.970 -7.213 -5.173 1.00 0.00 C ATOM 260 O ASP A 20 2.832 -7.350 -6.389 1.00 0.00 O ATOM 261 CB ASP A 20 3.951 -9.449 -4.628 1.00 0.00 C ATOM 262 CG ASP A 20 3.644 -10.118 -5.953 1.00 0.00 C ATOM 263 OD1 ASP A 20 2.838 -11.071 -5.963 1.00 0.00 O ATOM 264 OD2 ASP A 20 4.211 -9.689 -6.980 1.00 0.00 O ATOM 0 H ASP A 20 1.422 -9.686 -5.019 1.00 0.00 H new ATOM 0 HA ASP A 20 3.092 -8.074 -3.221 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.926 -8.964 -4.686 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.018 -10.208 -3.848 1.00 0.00 H new ATOM 269 N VAL A 21 3.191 -6.035 -4.598 1.00 0.00 N ATOM 270 CA VAL A 21 3.285 -4.808 -5.381 1.00 0.00 C ATOM 271 C VAL A 21 4.718 -4.291 -5.422 1.00 0.00 C ATOM 272 O VAL A 21 5.335 -4.015 -4.393 1.00 0.00 O ATOM 273 CB VAL A 21 2.370 -3.707 -4.812 1.00 0.00 C ATOM 274 CG1 VAL A 21 2.019 -2.694 -5.891 1.00 0.00 C ATOM 275 CG2 VAL A 21 1.112 -4.318 -4.213 1.00 0.00 C ATOM 0 H VAL A 21 3.308 -5.904 -3.593 1.00 0.00 H new ATOM 0 HA VAL A 21 2.961 -5.053 -6.392 1.00 0.00 H new ATOM 0 HB VAL A 21 2.907 -3.186 -4.019 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.372 -1.924 -5.471 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.932 -2.234 -6.269 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.501 -3.197 -6.708 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.477 -3.526 -3.816 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.570 -4.865 -4.985 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.386 -5.001 -3.409 1.00 0.00 H new ATOM 285 N PRO A 22 5.264 -4.155 -6.640 1.00 0.00 N ATOM 286 CA PRO A 22 6.632 -3.669 -6.845 1.00 0.00 C ATOM 287 C PRO A 22 6.778 -2.190 -6.507 1.00 0.00 C ATOM 288 O PRO A 22 6.419 -1.322 -7.304 1.00 0.00 O ATOM 289 CB PRO A 22 6.871 -3.903 -8.339 1.00 0.00 C ATOM 290 CG PRO A 22 5.511 -3.888 -8.947 1.00 0.00 C ATOM 291 CD PRO A 22 4.587 -4.465 -7.911 1.00 0.00 C ATOM 0 HA PRO A 22 7.347 -4.179 -6.200 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.504 -3.125 -8.765 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.373 -4.854 -8.515 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.214 -2.874 -9.213 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.487 -4.478 -9.863 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.596 -4.013 -7.959 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.454 -5.539 -8.044 1.00 0.00 H new ATOM 299 N LEU A 23 7.307 -1.908 -5.322 1.00 0.00 N ATOM 300 CA LEU A 23 7.501 -0.532 -4.878 1.00 0.00 C ATOM 301 C LEU A 23 8.974 -0.254 -4.594 1.00 0.00 C ATOM 302 O LEU A 23 9.607 -0.954 -3.803 1.00 0.00 O ATOM 303 CB LEU A 23 6.668 -0.256 -3.625 1.00 0.00 C ATOM 304 CG LEU A 23 6.418 1.216 -3.296 1.00 0.00 C ATOM 305 CD1 LEU A 23 5.562 1.866 -4.372 1.00 0.00 C ATOM 306 CD2 LEU A 23 5.758 1.352 -1.932 1.00 0.00 C ATOM 0 H LEU A 23 7.609 -2.614 -4.651 1.00 0.00 H new ATOM 0 HA LEU A 23 7.172 0.131 -5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.704 -0.751 -3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.166 -0.719 -2.773 1.00 0.00 H new ATOM 0 HG LEU A 23 7.379 1.730 -3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.395 2.913 -4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.073 1.801 -5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.604 1.351 -4.435 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.587 2.406 -1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.805 0.823 -1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.408 0.924 -1.169 1.00 0.00 H new ATOM 318 N ASP A 24 9.513 0.772 -5.243 1.00 0.00 N ATOM 319 CA ASP A 24 10.911 1.144 -5.058 1.00 0.00 C ATOM 320 C ASP A 24 11.166 1.601 -3.625 1.00 0.00 C ATOM 321 O ASP A 24 10.341 2.292 -3.026 1.00 0.00 O ATOM 322 CB ASP A 24 11.299 2.254 -6.037 1.00 0.00 C ATOM 323 CG ASP A 24 12.801 2.425 -6.151 1.00 0.00 C ATOM 324 OD1 ASP A 24 13.479 2.434 -5.102 1.00 0.00 O ATOM 325 OD2 ASP A 24 13.299 2.550 -7.290 1.00 0.00 O ATOM 0 H ASP A 24 9.003 1.361 -5.902 1.00 0.00 H new ATOM 0 HA ASP A 24 11.525 0.265 -5.255 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.886 2.028 -7.020 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.853 3.194 -5.712 1.00 0.00 H new ATOM 330 N HIS A 25 12.314 1.210 -3.080 1.00 0.00 N ATOM 331 CA HIS A 25 12.678 1.579 -1.717 1.00 0.00 C ATOM 332 C HIS A 25 12.906 3.084 -1.604 1.00 0.00 C ATOM 333 O HIS A 25 13.006 3.625 -0.503 1.00 0.00 O ATOM 334 CB HIS A 25 13.935 0.827 -1.281 1.00 0.00 C ATOM 335 CG HIS A 25 14.503 1.310 0.018 1.00 0.00 C ATOM 336 ND1 HIS A 25 13.798 1.285 1.203 1.00 0.00 N ATOM 337 CD2 HIS A 25 15.716 1.833 0.315 1.00 0.00 C ATOM 338 CE1 HIS A 25 14.553 1.772 2.172 1.00 0.00 C ATOM 339 NE2 HIS A 25 15.722 2.112 1.659 1.00 0.00 N ATOM 0 H HIS A 25 13.008 0.638 -3.562 1.00 0.00 H new ATOM 0 HA HIS A 25 11.853 1.304 -1.060 1.00 0.00 H new ATOM 0 HB2 HIS A 25 13.701 -0.234 -1.194 1.00 0.00 H new ATOM 0 HB3 HIS A 25 14.694 0.923 -2.058 1.00 0.00 H new ATOM 0 HD2 HIS A 25 16.528 2.000 -0.377 1.00 0.00 H new ATOM 0 HE1 HIS A 25 14.264 1.875 3.207 1.00 0.00 H new ATOM 0 HE2 HIS A 25 16.502 2.516 2.177 1.00 0.00 H new ATOM 347 N ARG A 26 12.988 3.752 -2.749 1.00 0.00 N ATOM 348 CA ARG A 26 13.207 5.193 -2.779 1.00 0.00 C ATOM 349 C ARG A 26 11.941 5.944 -2.374 1.00 0.00 C ATOM 350 O ARG A 26 12.008 7.040 -1.818 1.00 0.00 O ATOM 351 CB ARG A 26 13.651 5.635 -4.174 1.00 0.00 C ATOM 352 CG ARG A 26 14.992 5.059 -4.598 1.00 0.00 C ATOM 353 CD ARG A 26 16.149 5.895 -4.074 1.00 0.00 C ATOM 354 NE ARG A 26 17.375 5.112 -3.942 1.00 0.00 N ATOM 355 CZ ARG A 26 18.185 4.839 -4.959 1.00 0.00 C ATOM 356 NH1 ARG A 26 17.900 5.284 -6.175 1.00 0.00 N ATOM 357 NH2 ARG A 26 19.282 4.121 -4.760 1.00 0.00 N ATOM 0 H ARG A 26 12.906 3.319 -3.669 1.00 0.00 H new ATOM 0 HA ARG A 26 13.994 5.430 -2.063 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.892 5.338 -4.898 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.708 6.723 -4.200 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.083 4.038 -4.229 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.041 5.010 -5.686 1.00 0.00 H new ATOM 0 HD2 ARG A 26 16.325 6.733 -4.748 1.00 0.00 H new ATOM 0 HD3 ARG A 26 15.882 6.316 -3.105 1.00 0.00 H new ATOM 0 HE ARG A 26 17.623 4.756 -3.019 1.00 0.00 H new ATOM 0 HH11 ARG A 26 17.057 5.837 -6.331 1.00 0.00 H new ATOM 0 HH12 ARG A 26 18.523 5.073 -6.954 1.00 0.00 H new ATOM 0 HH21 ARG A 26 19.504 3.778 -3.826 1.00 0.00 H new ATOM 0 HH22 ARG A 26 19.903 3.912 -5.541 1.00 0.00 H new ATOM 371 N VAL A 27 10.789 5.346 -2.659 1.00 0.00 N ATOM 372 CA VAL A 27 9.508 5.957 -2.325 1.00 0.00 C ATOM 373 C VAL A 27 8.915 5.335 -1.065 1.00 0.00 C ATOM 374 O VAL A 27 8.005 5.896 -0.453 1.00 0.00 O ATOM 375 CB VAL A 27 8.499 5.811 -3.480 1.00 0.00 C ATOM 376 CG1 VAL A 27 9.143 6.194 -4.803 1.00 0.00 C ATOM 377 CG2 VAL A 27 7.952 4.393 -3.534 1.00 0.00 C ATOM 0 H VAL A 27 10.716 4.439 -3.120 1.00 0.00 H new ATOM 0 HA VAL A 27 9.698 7.016 -2.150 1.00 0.00 H new ATOM 0 HB VAL A 27 7.666 6.490 -3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.415 6.085 -5.607 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.480 7.230 -4.757 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.996 5.543 -4.995 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.241 4.308 -4.356 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.772 3.692 -3.690 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.450 4.161 -2.595 1.00 0.00 H new ATOM 387 N HIS A 28 9.436 4.174 -0.683 1.00 0.00 N ATOM 388 CA HIS A 28 8.958 3.476 0.505 1.00 0.00 C ATOM 389 C HIS A 28 8.748 4.451 1.660 1.00 0.00 C ATOM 390 O HIS A 28 7.629 4.630 2.138 1.00 0.00 O ATOM 391 CB HIS A 28 9.950 2.387 0.916 1.00 0.00 C ATOM 392 CG HIS A 28 9.698 1.067 0.253 1.00 0.00 C ATOM 393 ND1 HIS A 28 10.076 -0.137 0.807 1.00 0.00 N ATOM 394 CD2 HIS A 28 9.100 0.767 -0.923 1.00 0.00 C ATOM 395 CE1 HIS A 28 9.724 -1.121 0.000 1.00 0.00 C ATOM 396 NE2 HIS A 28 9.129 -0.599 -1.058 1.00 0.00 N ATOM 0 H HIS A 28 10.189 3.697 -1.178 1.00 0.00 H new ATOM 0 HA HIS A 28 8.001 3.013 0.264 1.00 0.00 H new ATOM 0 HB2 HIS A 28 10.960 2.718 0.676 1.00 0.00 H new ATOM 0 HB3 HIS A 28 9.906 2.256 1.997 1.00 0.00 H new ATOM 0 HD1 HIS A 28 10.553 -0.250 1.701 1.00 0.00 H new ATOM 0 HD2 HIS A 28 8.678 1.471 -1.625 1.00 0.00 H new ATOM 0 HE1 HIS A 28 9.894 -2.173 0.175 1.00 0.00 H new ATOM 404 N ALA A 29 9.833 5.077 2.104 1.00 0.00 N ATOM 405 CA ALA A 29 9.768 6.034 3.202 1.00 0.00 C ATOM 406 C ALA A 29 8.810 7.175 2.878 1.00 0.00 C ATOM 407 O ALA A 29 7.895 7.468 3.648 1.00 0.00 O ATOM 408 CB ALA A 29 11.155 6.577 3.512 1.00 0.00 C ATOM 0 H ALA A 29 10.768 4.939 1.720 1.00 0.00 H new ATOM 0 HA ALA A 29 9.389 5.515 4.083 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.091 7.290 4.334 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.813 5.755 3.795 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.556 7.075 2.629 1.00 0.00 H new ATOM 414 N ARG A 30 9.028 7.818 1.735 1.00 0.00 N ATOM 415 CA ARG A 30 8.185 8.929 1.311 1.00 0.00 C ATOM 416 C ARG A 30 6.712 8.625 1.571 1.00 0.00 C ATOM 417 O ARG A 30 5.943 9.508 1.951 1.00 0.00 O ATOM 418 CB ARG A 30 8.402 9.224 -0.174 1.00 0.00 C ATOM 419 CG ARG A 30 9.505 10.234 -0.440 1.00 0.00 C ATOM 420 CD ARG A 30 10.880 9.640 -0.177 1.00 0.00 C ATOM 421 NE ARG A 30 11.951 10.487 -0.694 1.00 0.00 N ATOM 422 CZ ARG A 30 12.346 11.612 -0.108 1.00 0.00 C ATOM 423 NH1 ARG A 30 11.761 12.022 1.009 1.00 0.00 N ATOM 424 NH2 ARG A 30 13.328 12.329 -0.640 1.00 0.00 N ATOM 0 H ARG A 30 9.781 7.588 1.087 1.00 0.00 H new ATOM 0 HA ARG A 30 8.465 9.807 1.893 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.641 8.294 -0.689 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.471 9.595 -0.602 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.446 10.575 -1.474 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.359 11.109 0.193 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.015 9.500 0.895 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.943 8.654 -0.638 1.00 0.00 H new ATOM 0 HE ARG A 30 12.422 10.199 -1.552 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.006 11.473 1.420 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.066 12.886 1.457 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.780 12.016 -1.499 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.631 13.193 -0.190 1.00 0.00 H new ATOM 438 N ILE A 31 6.327 7.370 1.362 1.00 0.00 N ATOM 439 CA ILE A 31 4.948 6.950 1.573 1.00 0.00 C ATOM 440 C ILE A 31 4.689 6.632 3.042 1.00 0.00 C ATOM 441 O ILE A 31 3.744 7.146 3.642 1.00 0.00 O ATOM 442 CB ILE A 31 4.599 5.713 0.724 1.00 0.00 C ATOM 443 CG1 ILE A 31 4.596 6.074 -0.763 1.00 0.00 C ATOM 444 CG2 ILE A 31 3.250 5.148 1.140 1.00 0.00 C ATOM 445 CD1 ILE A 31 4.538 4.870 -1.677 1.00 0.00 C ATOM 0 H ILE A 31 6.951 6.627 1.047 1.00 0.00 H new ATOM 0 HA ILE A 31 4.315 7.782 1.266 1.00 0.00 H new ATOM 0 HB ILE A 31 5.358 4.949 0.892 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.742 6.719 -0.970 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.493 6.650 -0.991 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.018 4.274 0.531 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.285 4.859 2.190 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.479 5.905 0.997 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.539 5.201 -2.715 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.406 4.235 -1.498 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.627 4.305 -1.477 1.00 0.00 H new ATOM 457 N ILE A 32 5.536 5.785 3.617 1.00 0.00 N ATOM 458 CA ILE A 32 5.401 5.401 5.017 1.00 0.00 C ATOM 459 C ILE A 32 5.083 6.611 5.889 1.00 0.00 C ATOM 460 O ILE A 32 4.123 6.600 6.658 1.00 0.00 O ATOM 461 CB ILE A 32 6.681 4.725 5.541 1.00 0.00 C ATOM 462 CG1 ILE A 32 6.829 3.326 4.940 1.00 0.00 C ATOM 463 CG2 ILE A 32 6.658 4.654 7.061 1.00 0.00 C ATOM 464 CD1 ILE A 32 8.232 2.771 5.038 1.00 0.00 C ATOM 0 H ILE A 32 6.323 5.351 3.135 1.00 0.00 H new ATOM 0 HA ILE A 32 4.577 4.690 5.072 1.00 0.00 H new ATOM 0 HB ILE A 32 7.540 5.323 5.237 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.143 2.648 5.446 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.532 3.357 3.892 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.569 4.174 7.417 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.595 5.662 7.471 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.793 4.076 7.385 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.262 1.777 4.592 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.921 3.428 4.507 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.526 2.708 6.086 1.00 0.00 H new ATOM 476 N GLY A 33 5.898 7.654 5.764 1.00 0.00 N ATOM 477 CA GLY A 33 5.687 8.858 6.546 1.00 0.00 C ATOM 478 C GLY A 33 6.478 8.856 7.840 1.00 0.00 C ATOM 479 O GLY A 33 6.396 7.911 8.623 1.00 0.00 O ATOM 0 H GLY A 33 6.700 7.687 5.135 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.970 9.727 5.952 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.626 8.959 6.773 1.00 0.00 H new ATOM 483 N ALA A 34 7.247 9.916 8.063 1.00 0.00 N ATOM 484 CA ALA A 34 8.056 10.033 9.269 1.00 0.00 C ATOM 485 C ALA A 34 7.355 9.394 10.464 1.00 0.00 C ATOM 486 O ALA A 34 7.891 8.483 11.095 1.00 0.00 O ATOM 487 CB ALA A 34 8.367 11.494 9.557 1.00 0.00 C ATOM 0 H ALA A 34 7.327 10.707 7.424 1.00 0.00 H new ATOM 0 HA ALA A 34 8.992 9.500 9.102 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.972 11.566 10.461 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.916 11.921 8.718 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.436 12.043 9.699 1.00 0.00 H new ATOM 493 N ARG A 35 6.156 9.878 10.768 1.00 0.00 N ATOM 494 CA ARG A 35 5.382 9.356 11.889 1.00 0.00 C ATOM 495 C ARG A 35 4.781 7.996 11.546 1.00 0.00 C ATOM 496 O ARG A 35 4.549 7.169 12.427 1.00 0.00 O ATOM 497 CB ARG A 35 4.271 10.335 12.270 1.00 0.00 C ATOM 498 CG ARG A 35 4.785 11.638 12.861 1.00 0.00 C ATOM 499 CD ARG A 35 4.928 11.546 14.372 1.00 0.00 C ATOM 500 NE ARG A 35 3.633 11.565 15.047 1.00 0.00 N ATOM 501 CZ ARG A 35 3.493 11.537 16.368 1.00 0.00 C ATOM 502 NH1 ARG A 35 4.561 11.490 17.151 1.00 0.00 N ATOM 503 NH2 ARG A 35 2.280 11.558 16.908 1.00 0.00 N ATOM 0 H ARG A 35 5.699 10.631 10.254 1.00 0.00 H new ATOM 0 HA ARG A 35 6.055 9.234 12.738 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.675 10.557 11.385 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.607 9.856 12.990 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.750 11.884 12.417 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.101 12.448 12.608 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.458 10.629 14.631 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.535 12.377 14.730 1.00 0.00 H new ATOM 0 HE ARG A 35 2.790 11.602 14.473 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.494 11.475 16.740 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.450 11.469 18.165 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.456 11.596 16.309 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.173 11.536 17.922 1.00 0.00 H new ATOM 517 N GLY A 36 4.530 7.772 10.260 1.00 0.00 N ATOM 518 CA GLY A 36 3.957 6.512 9.824 1.00 0.00 C ATOM 519 C GLY A 36 2.449 6.578 9.686 1.00 0.00 C ATOM 520 O GLY A 36 1.768 5.553 9.727 1.00 0.00 O ATOM 0 H GLY A 36 4.713 8.441 9.512 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.394 6.230 8.866 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.220 5.731 10.537 1.00 0.00 H new ATOM 524 N LYS A 37 1.924 7.787 9.523 1.00 0.00 N ATOM 525 CA LYS A 37 0.486 7.985 9.378 1.00 0.00 C ATOM 526 C LYS A 37 0.085 8.003 7.907 1.00 0.00 C ATOM 527 O LYS A 37 -1.031 7.623 7.554 1.00 0.00 O ATOM 528 CB LYS A 37 0.060 9.292 10.050 1.00 0.00 C ATOM 529 CG LYS A 37 0.286 10.521 9.187 1.00 0.00 C ATOM 530 CD LYS A 37 -0.419 11.740 9.757 1.00 0.00 C ATOM 531 CE LYS A 37 0.299 12.276 10.987 1.00 0.00 C ATOM 532 NZ LYS A 37 -0.139 11.583 12.230 1.00 0.00 N ATOM 0 H LYS A 37 2.473 8.646 9.488 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.021 7.152 9.864 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.997 9.230 10.309 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.611 9.407 10.983 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.355 10.721 9.110 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.076 10.329 8.177 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.472 12.519 8.997 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.445 11.479 10.018 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.375 12.153 10.862 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.109 13.345 11.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.324 12.287 12.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.008 11.044 12.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.609 10.933 12.547 1.00 0.00 H new ATOM 546 N ALA A 38 1.003 8.444 7.053 1.00 0.00 N ATOM 547 CA ALA A 38 0.745 8.508 5.620 1.00 0.00 C ATOM 548 C ALA A 38 0.352 7.140 5.072 1.00 0.00 C ATOM 549 O ALA A 38 -0.381 7.044 4.086 1.00 0.00 O ATOM 550 CB ALA A 38 1.967 9.041 4.887 1.00 0.00 C ATOM 0 H ALA A 38 1.932 8.762 7.329 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.089 9.190 5.456 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.760 9.083 3.818 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.202 10.041 5.251 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.816 8.381 5.066 1.00 0.00 H new ATOM 556 N ILE A 39 0.843 6.087 5.715 1.00 0.00 N ATOM 557 CA ILE A 39 0.541 4.725 5.291 1.00 0.00 C ATOM 558 C ILE A 39 -0.717 4.202 5.975 1.00 0.00 C ATOM 559 O ILE A 39 -1.345 3.255 5.502 1.00 0.00 O ATOM 560 CB ILE A 39 1.711 3.770 5.593 1.00 0.00 C ATOM 561 CG1 ILE A 39 1.439 2.390 4.991 1.00 0.00 C ATOM 562 CG2 ILE A 39 1.934 3.664 7.095 1.00 0.00 C ATOM 563 CD1 ILE A 39 1.399 2.388 3.479 1.00 0.00 C ATOM 0 H ILE A 39 1.451 6.150 6.531 1.00 0.00 H new ATOM 0 HA ILE A 39 0.378 4.758 4.214 1.00 0.00 H new ATOM 0 HB ILE A 39 2.616 4.172 5.138 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.211 1.697 5.327 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.488 2.017 5.372 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.764 2.986 7.293 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.167 4.649 7.499 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.031 3.281 7.571 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.202 1.377 3.122 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.609 3.055 3.135 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.358 2.730 3.089 1.00 0.00 H new ATOM 575 N ARG A 40 -1.081 4.827 7.090 1.00 0.00 N ATOM 576 CA ARG A 40 -2.266 4.425 7.839 1.00 0.00 C ATOM 577 C ARG A 40 -3.538 4.840 7.108 1.00 0.00 C ATOM 578 O ARG A 40 -4.476 4.053 6.975 1.00 0.00 O ATOM 579 CB ARG A 40 -2.244 5.044 9.238 1.00 0.00 C ATOM 580 CG ARG A 40 -3.251 4.424 10.194 1.00 0.00 C ATOM 581 CD ARG A 40 -2.783 3.065 10.692 1.00 0.00 C ATOM 582 NE ARG A 40 -3.711 2.488 11.661 1.00 0.00 N ATOM 583 CZ ARG A 40 -3.392 1.495 12.483 1.00 0.00 C ATOM 584 NH1 ARG A 40 -2.174 0.971 12.453 1.00 0.00 N ATOM 585 NH2 ARG A 40 -4.291 1.024 13.337 1.00 0.00 N ATOM 0 H ARG A 40 -0.573 5.613 7.495 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.258 3.339 7.929 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.244 4.937 9.658 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.443 6.113 9.157 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.406 5.090 11.043 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.213 4.317 9.692 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.674 2.387 9.846 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.798 3.166 11.148 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.656 2.869 11.709 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.480 1.331 11.798 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.931 0.208 13.085 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.229 1.425 13.363 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.045 0.261 13.968 1.00 0.00 H new ATOM 599 N LYS A 41 -3.565 6.081 6.634 1.00 0.00 N ATOM 600 CA LYS A 41 -4.721 6.602 5.914 1.00 0.00 C ATOM 601 C LYS A 41 -5.021 5.756 4.681 1.00 0.00 C ATOM 602 O LYS A 41 -6.181 5.559 4.320 1.00 0.00 O ATOM 603 CB LYS A 41 -4.479 8.056 5.502 1.00 0.00 C ATOM 604 CG LYS A 41 -3.664 8.199 4.229 1.00 0.00 C ATOM 605 CD LYS A 41 -3.556 9.652 3.796 1.00 0.00 C ATOM 606 CE LYS A 41 -2.770 9.791 2.501 1.00 0.00 C ATOM 607 NZ LYS A 41 -2.489 11.216 2.173 1.00 0.00 N ATOM 0 H LYS A 41 -2.798 6.746 6.736 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.582 6.559 6.581 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.440 8.551 5.366 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.966 8.574 6.312 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.666 7.790 4.387 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.125 7.615 3.433 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.555 10.068 3.663 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.071 10.232 4.581 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.830 9.246 2.586 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.330 9.334 1.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.952 11.268 1.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.386 11.731 2.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.932 11.645 2.939 1.00 0.00 H new ATOM 621 N ILE A 42 -3.968 5.258 4.041 1.00 0.00 N ATOM 622 CA ILE A 42 -4.120 4.431 2.850 1.00 0.00 C ATOM 623 C ILE A 42 -4.718 3.072 3.197 1.00 0.00 C ATOM 624 O ILE A 42 -5.654 2.610 2.546 1.00 0.00 O ATOM 625 CB ILE A 42 -2.772 4.220 2.136 1.00 0.00 C ATOM 626 CG1 ILE A 42 -2.138 5.568 1.787 1.00 0.00 C ATOM 627 CG2 ILE A 42 -2.963 3.378 0.883 1.00 0.00 C ATOM 628 CD1 ILE A 42 -0.873 5.446 0.967 1.00 0.00 C ATOM 0 H ILE A 42 -3.001 5.413 4.327 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.797 4.962 2.181 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.100 3.688 2.809 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.862 6.169 1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.914 6.104 2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.002 3.237 0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.376 2.407 1.157 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.649 3.886 0.205 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.478 6.440 0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.132 4.872 1.524 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.095 4.938 0.029 1.00 0.00 H new ATOM 640 N MET A 43 -4.170 2.437 4.228 1.00 0.00 N ATOM 641 CA MET A 43 -4.652 1.131 4.664 1.00 0.00 C ATOM 642 C MET A 43 -6.128 1.195 5.042 1.00 0.00 C ATOM 643 O MET A 43 -6.913 0.323 4.666 1.00 0.00 O ATOM 644 CB MET A 43 -3.830 0.632 5.854 1.00 0.00 C ATOM 645 CG MET A 43 -2.508 -0.004 5.455 1.00 0.00 C ATOM 646 SD MET A 43 -1.796 -1.011 6.771 1.00 0.00 S ATOM 647 CE MET A 43 -0.653 0.154 7.508 1.00 0.00 C ATOM 0 H MET A 43 -3.393 2.805 4.777 1.00 0.00 H new ATOM 0 HA MET A 43 -4.538 0.433 3.834 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.634 1.468 6.526 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.419 -0.095 6.413 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.659 -0.623 4.571 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.801 0.779 5.179 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.362 -0.198 8.498 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.233 0.242 6.879 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.133 1.128 7.597 1.00 0.00 H new ATOM 657 N ASP A 44 -6.499 2.230 5.788 1.00 0.00 N ATOM 658 CA ASP A 44 -7.882 2.407 6.216 1.00 0.00 C ATOM 659 C ASP A 44 -8.758 2.857 5.051 1.00 0.00 C ATOM 660 O ASP A 44 -9.914 2.450 4.938 1.00 0.00 O ATOM 661 CB ASP A 44 -7.960 3.427 7.353 1.00 0.00 C ATOM 662 CG ASP A 44 -7.724 2.798 8.712 1.00 0.00 C ATOM 663 OD1 ASP A 44 -8.496 1.891 9.089 1.00 0.00 O ATOM 664 OD2 ASP A 44 -6.767 3.212 9.399 1.00 0.00 O ATOM 0 H ASP A 44 -5.862 2.959 6.109 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.251 1.446 6.575 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.221 4.211 7.185 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.940 3.905 7.342 1.00 0.00 H new ATOM 669 N GLU A 45 -8.200 3.700 4.188 1.00 0.00 N ATOM 670 CA GLU A 45 -8.932 4.207 3.033 1.00 0.00 C ATOM 671 C GLU A 45 -9.566 3.063 2.247 1.00 0.00 C ATOM 672 O GLU A 45 -10.777 3.046 2.022 1.00 0.00 O ATOM 673 CB GLU A 45 -8.000 5.011 2.124 1.00 0.00 C ATOM 674 CG GLU A 45 -8.624 5.379 0.788 1.00 0.00 C ATOM 675 CD GLU A 45 -9.914 6.160 0.942 1.00 0.00 C ATOM 676 OE1 GLU A 45 -9.841 7.379 1.207 1.00 0.00 O ATOM 677 OE2 GLU A 45 -10.996 5.554 0.798 1.00 0.00 O ATOM 0 H GLU A 45 -7.244 4.046 4.267 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.726 4.860 3.395 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.701 5.923 2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.093 4.434 1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.913 5.969 0.210 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.820 4.470 0.220 1.00 0.00 H new ATOM 684 N PHE A 46 -8.740 2.109 1.830 1.00 0.00 N ATOM 685 CA PHE A 46 -9.219 0.962 1.067 1.00 0.00 C ATOM 686 C PHE A 46 -9.462 -0.235 1.981 1.00 0.00 C ATOM 687 O PHE A 46 -9.860 -1.308 1.526 1.00 0.00 O ATOM 688 CB PHE A 46 -8.210 0.591 -0.022 1.00 0.00 C ATOM 689 CG PHE A 46 -7.874 1.729 -0.942 1.00 0.00 C ATOM 690 CD1 PHE A 46 -6.854 2.613 -0.628 1.00 0.00 C ATOM 691 CD2 PHE A 46 -8.579 1.916 -2.120 1.00 0.00 C ATOM 692 CE1 PHE A 46 -6.542 3.662 -1.473 1.00 0.00 C ATOM 693 CE2 PHE A 46 -8.271 2.963 -2.968 1.00 0.00 C ATOM 694 CZ PHE A 46 -7.253 3.837 -2.644 1.00 0.00 C ATOM 0 H PHE A 46 -7.736 2.107 2.008 1.00 0.00 H new ATOM 0 HA PHE A 46 -10.164 1.237 0.599 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -7.295 0.233 0.449 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -8.610 -0.235 -0.610 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.296 2.481 0.287 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.378 1.236 -2.378 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.744 4.343 -1.218 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.827 3.097 -3.884 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.013 4.656 -3.305 1.00 0.00 H new ATOM 704 N LYS A 47 -9.220 -0.045 3.274 1.00 0.00 N ATOM 705 CA LYS A 47 -9.413 -1.107 4.253 1.00 0.00 C ATOM 706 C LYS A 47 -8.468 -2.274 3.984 1.00 0.00 C ATOM 707 O LYS A 47 -8.830 -3.435 4.175 1.00 0.00 O ATOM 708 CB LYS A 47 -10.863 -1.595 4.229 1.00 0.00 C ATOM 709 CG LYS A 47 -11.879 -0.495 4.485 1.00 0.00 C ATOM 710 CD LYS A 47 -11.815 -0.001 5.921 1.00 0.00 C ATOM 711 CE LYS A 47 -13.015 0.869 6.264 1.00 0.00 C ATOM 712 NZ LYS A 47 -14.288 0.096 6.231 1.00 0.00 N ATOM 0 H LYS A 47 -8.889 0.836 3.668 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.189 -0.701 5.240 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.069 -2.050 3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.988 -2.375 4.980 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.696 0.337 3.805 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.881 -0.867 4.271 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.776 -0.854 6.599 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.897 0.567 6.071 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.878 1.302 7.255 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.075 1.699 5.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.014 0.599 6.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.607 -0.006 5.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.133 -0.846 6.644 1.00 0.00 H new ATOM 726 N VAL A 48 -7.256 -1.958 3.540 1.00 0.00 N ATOM 727 CA VAL A 48 -6.258 -2.980 3.247 1.00 0.00 C ATOM 728 C VAL A 48 -5.147 -2.980 4.291 1.00 0.00 C ATOM 729 O VAL A 48 -5.096 -2.107 5.157 1.00 0.00 O ATOM 730 CB VAL A 48 -5.637 -2.774 1.853 1.00 0.00 C ATOM 731 CG1 VAL A 48 -6.702 -2.881 0.772 1.00 0.00 C ATOM 732 CG2 VAL A 48 -4.924 -1.433 1.780 1.00 0.00 C ATOM 0 H VAL A 48 -6.941 -1.002 3.375 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.773 -3.940 3.269 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.901 -3.560 1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.244 -2.733 -0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.162 -3.868 0.811 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.464 -2.119 0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.491 -1.305 0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.637 -0.631 1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.132 -1.401 2.528 1.00 0.00 H new ATOM 742 N ASP A 49 -4.260 -3.964 4.203 1.00 0.00 N ATOM 743 CA ASP A 49 -3.148 -4.077 5.139 1.00 0.00 C ATOM 744 C ASP A 49 -1.820 -4.182 4.396 1.00 0.00 C ATOM 745 O ASP A 49 -1.395 -5.273 4.015 1.00 0.00 O ATOM 746 CB ASP A 49 -3.337 -5.296 6.044 1.00 0.00 C ATOM 747 CG ASP A 49 -4.266 -5.013 7.209 1.00 0.00 C ATOM 748 OD1 ASP A 49 -4.374 -3.835 7.609 1.00 0.00 O ATOM 749 OD2 ASP A 49 -4.885 -5.970 7.720 1.00 0.00 O ATOM 0 H ASP A 49 -4.289 -4.695 3.493 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.130 -3.177 5.753 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.737 -6.123 5.457 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.367 -5.616 6.425 1.00 0.00 H new ATOM 754 N ILE A 50 -1.170 -3.041 4.192 1.00 0.00 N ATOM 755 CA ILE A 50 0.109 -3.005 3.494 1.00 0.00 C ATOM 756 C ILE A 50 1.254 -3.387 4.425 1.00 0.00 C ATOM 757 O ILE A 50 1.318 -2.931 5.567 1.00 0.00 O ATOM 758 CB ILE A 50 0.388 -1.611 2.901 1.00 0.00 C ATOM 759 CG1 ILE A 50 -0.807 -1.137 2.071 1.00 0.00 C ATOM 760 CG2 ILE A 50 1.651 -1.638 2.054 1.00 0.00 C ATOM 761 CD1 ILE A 50 -0.786 0.345 1.772 1.00 0.00 C ATOM 0 H ILE A 50 -1.508 -2.129 4.500 1.00 0.00 H new ATOM 0 HA ILE A 50 0.046 -3.730 2.683 1.00 0.00 H new ATOM 0 HB ILE A 50 0.539 -0.908 3.720 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.828 -1.689 1.131 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.727 -1.379 2.603 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.834 -0.646 1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.498 -1.936 2.672 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.528 -2.352 1.239 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.663 0.609 1.181 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.797 0.905 2.707 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.117 0.591 1.212 1.00 0.00 H new ATOM 773 N ARG A 51 2.158 -4.226 3.929 1.00 0.00 N ATOM 774 CA ARG A 51 3.302 -4.670 4.717 1.00 0.00 C ATOM 775 C ARG A 51 4.604 -4.459 3.950 1.00 0.00 C ATOM 776 O ARG A 51 4.834 -5.083 2.914 1.00 0.00 O ATOM 777 CB ARG A 51 3.150 -6.145 5.090 1.00 0.00 C ATOM 778 CG ARG A 51 3.885 -6.531 6.363 1.00 0.00 C ATOM 779 CD ARG A 51 3.094 -6.144 7.602 1.00 0.00 C ATOM 780 NE ARG A 51 2.125 -7.171 7.976 1.00 0.00 N ATOM 781 CZ ARG A 51 2.427 -8.231 8.718 1.00 0.00 C ATOM 782 NH1 ARG A 51 3.664 -8.402 9.163 1.00 0.00 N ATOM 783 NH2 ARG A 51 1.491 -9.122 9.016 1.00 0.00 N ATOM 0 H ARG A 51 2.120 -4.612 2.986 1.00 0.00 H new ATOM 0 HA ARG A 51 3.337 -4.074 5.629 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.091 -6.374 5.209 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.518 -6.759 4.268 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.067 -7.606 6.367 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.859 -6.042 6.384 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.780 -5.974 8.432 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.574 -5.204 7.421 1.00 0.00 H new ATOM 0 HE ARG A 51 1.164 -7.069 7.650 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.387 -7.719 8.936 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.893 -9.217 9.732 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.538 -8.994 8.675 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.724 -9.935 9.586 1.00 0.00 H new ATOM 797 N PHE A 52 5.452 -3.576 4.466 1.00 0.00 N ATOM 798 CA PHE A 52 6.731 -3.282 3.830 1.00 0.00 C ATOM 799 C PHE A 52 7.755 -4.369 4.139 1.00 0.00 C ATOM 800 O PHE A 52 7.708 -5.024 5.180 1.00 0.00 O ATOM 801 CB PHE A 52 7.256 -1.923 4.296 1.00 0.00 C ATOM 802 CG PHE A 52 6.551 -0.757 3.663 1.00 0.00 C ATOM 803 CD1 PHE A 52 6.956 -0.272 2.430 1.00 0.00 C ATOM 804 CD2 PHE A 52 5.483 -0.147 4.301 1.00 0.00 C ATOM 805 CE1 PHE A 52 6.309 0.800 1.845 1.00 0.00 C ATOM 806 CE2 PHE A 52 4.831 0.924 3.720 1.00 0.00 C ATOM 807 CZ PHE A 52 5.245 1.399 2.491 1.00 0.00 C ATOM 0 H PHE A 52 5.277 -3.051 5.323 1.00 0.00 H new ATOM 0 HA PHE A 52 6.574 -3.252 2.752 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.153 -1.855 5.379 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.321 -1.858 4.072 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.787 -0.737 1.920 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.156 -0.513 5.263 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.635 1.169 0.884 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.998 1.389 4.227 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.738 2.237 2.036 1.00 0.00 H new ATOM 817 N PRO A 53 8.705 -4.567 3.213 1.00 0.00 N ATOM 818 CA PRO A 53 9.760 -5.574 3.363 1.00 0.00 C ATOM 819 C PRO A 53 10.761 -5.207 4.453 1.00 0.00 C ATOM 820 O PRO A 53 11.541 -4.268 4.300 1.00 0.00 O ATOM 821 CB PRO A 53 10.440 -5.583 1.992 1.00 0.00 C ATOM 822 CG PRO A 53 10.175 -4.229 1.429 1.00 0.00 C ATOM 823 CD PRO A 53 8.823 -3.823 1.948 1.00 0.00 C ATOM 0 HA PRO A 53 9.359 -6.543 3.661 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.510 -5.772 2.082 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.031 -6.365 1.352 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.942 -3.520 1.740 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.185 -4.251 0.339 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.761 -2.747 2.108 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.029 -4.088 1.250 1.00 0.00 H new ATOM 831 N GLN A 54 10.733 -5.954 5.552 1.00 0.00 N ATOM 832 CA GLN A 54 11.639 -5.705 6.667 1.00 0.00 C ATOM 833 C GLN A 54 13.094 -5.814 6.221 1.00 0.00 C ATOM 834 O GLN A 54 13.377 -6.141 5.069 1.00 0.00 O ATOM 835 CB GLN A 54 11.366 -6.692 7.803 1.00 0.00 C ATOM 836 CG GLN A 54 10.038 -6.460 8.505 1.00 0.00 C ATOM 837 CD GLN A 54 8.858 -6.978 7.706 1.00 0.00 C ATOM 838 OE1 GLN A 54 9.016 -7.808 6.811 1.00 0.00 O ATOM 839 NE2 GLN A 54 7.665 -6.490 8.027 1.00 0.00 N ATOM 0 H GLN A 54 10.093 -6.736 5.694 1.00 0.00 H new ATOM 0 HA GLN A 54 11.463 -4.691 7.026 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.384 -7.706 7.404 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.171 -6.623 8.535 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.056 -6.949 9.479 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.909 -5.393 8.687 1.00 0.00 H new ATOM 0 HE21 GLN A 54 7.580 -5.803 8.776 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.834 -6.802 7.524 1.00 0.00 H new ATOM 848 N SER A 55 14.012 -5.539 7.142 1.00 0.00 N ATOM 849 CA SER A 55 15.438 -5.602 6.843 1.00 0.00 C ATOM 850 C SER A 55 15.810 -6.960 6.255 1.00 0.00 C ATOM 851 O SER A 55 16.438 -7.041 5.201 1.00 0.00 O ATOM 852 CB SER A 55 16.258 -5.339 8.107 1.00 0.00 C ATOM 853 OG SER A 55 16.022 -6.337 9.085 1.00 0.00 O ATOM 0 H SER A 55 13.794 -5.270 8.102 1.00 0.00 H new ATOM 0 HA SER A 55 15.664 -4.832 6.106 1.00 0.00 H new ATOM 0 HB2 SER A 55 17.319 -5.314 7.857 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.003 -4.360 8.513 1.00 0.00 H new ATOM 0 HG SER A 55 16.559 -6.147 9.882 1.00 0.00 H new ATOM 859 N GLY A 56 15.416 -8.025 6.946 1.00 0.00 N ATOM 860 CA GLY A 56 15.716 -9.366 6.479 1.00 0.00 C ATOM 861 C GLY A 56 14.674 -9.889 5.511 1.00 0.00 C ATOM 862 O GLY A 56 14.353 -11.078 5.517 1.00 0.00 O ATOM 0 H GLY A 56 14.894 -7.983 7.821 1.00 0.00 H new ATOM 0 HA2 GLY A 56 16.692 -9.369 5.994 1.00 0.00 H new ATOM 0 HA3 GLY A 56 15.783 -10.039 7.334 1.00 0.00 H new ATOM 866 N ALA A 57 14.142 -9.001 4.678 1.00 0.00 N ATOM 867 CA ALA A 57 13.130 -9.380 3.700 1.00 0.00 C ATOM 868 C ALA A 57 13.770 -9.792 2.379 1.00 0.00 C ATOM 869 O ALA A 57 14.807 -9.267 1.974 1.00 0.00 O ATOM 870 CB ALA A 57 12.153 -8.234 3.481 1.00 0.00 C ATOM 0 H ALA A 57 14.395 -8.013 4.661 1.00 0.00 H new ATOM 0 HA ALA A 57 12.584 -10.238 4.092 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.403 -8.531 2.748 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.663 -7.989 4.423 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.693 -7.361 3.114 1.00 0.00 H new ATOM 876 N PRO A 58 13.140 -10.756 1.691 1.00 0.00 N ATOM 877 CA PRO A 58 13.631 -11.260 0.405 1.00 0.00 C ATOM 878 C PRO A 58 13.490 -10.233 -0.713 1.00 0.00 C ATOM 879 O PRO A 58 14.317 -10.173 -1.622 1.00 0.00 O ATOM 880 CB PRO A 58 12.736 -12.472 0.134 1.00 0.00 C ATOM 881 CG PRO A 58 11.483 -12.193 0.890 1.00 0.00 C ATOM 882 CD PRO A 58 11.899 -11.426 2.114 1.00 0.00 C ATOM 0 HA PRO A 58 14.694 -11.497 0.440 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.538 -12.588 -0.932 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.206 -13.395 0.473 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.784 -11.615 0.286 1.00 0.00 H new ATOM 0 HG3 PRO A 58 10.978 -13.119 1.163 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.137 -10.707 2.416 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.069 -12.087 2.964 1.00 0.00 H new ATOM 890 N ASP A 59 12.437 -9.426 -0.639 1.00 0.00 N ATOM 891 CA ASP A 59 12.189 -8.399 -1.644 1.00 0.00 C ATOM 892 C ASP A 59 12.055 -7.025 -0.996 1.00 0.00 C ATOM 893 O ASP A 59 10.965 -6.590 -0.623 1.00 0.00 O ATOM 894 CB ASP A 59 10.923 -8.728 -2.437 1.00 0.00 C ATOM 895 CG ASP A 59 11.023 -10.055 -3.162 1.00 0.00 C ATOM 896 OD1 ASP A 59 11.582 -10.081 -4.279 1.00 0.00 O ATOM 897 OD2 ASP A 59 10.541 -11.069 -2.614 1.00 0.00 O ATOM 0 H ASP A 59 11.742 -9.463 0.106 1.00 0.00 H new ATOM 0 HA ASP A 59 13.040 -8.378 -2.324 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.069 -8.751 -1.760 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.735 -7.935 -3.161 1.00 0.00 H new ATOM 902 N PRO A 60 13.190 -6.323 -0.857 1.00 0.00 N ATOM 903 CA PRO A 60 13.225 -4.987 -0.253 1.00 0.00 C ATOM 904 C PRO A 60 12.566 -3.934 -1.136 1.00 0.00 C ATOM 905 O PRO A 60 12.426 -2.778 -0.739 1.00 0.00 O ATOM 906 CB PRO A 60 14.723 -4.704 -0.108 1.00 0.00 C ATOM 907 CG PRO A 60 15.370 -5.541 -1.157 1.00 0.00 C ATOM 908 CD PRO A 60 14.525 -6.778 -1.279 1.00 0.00 C ATOM 0 HA PRO A 60 12.677 -4.950 0.688 1.00 0.00 H new ATOM 0 HB2 PRO A 60 14.942 -3.646 -0.255 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.081 -4.969 0.887 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.420 -5.007 -2.106 1.00 0.00 H new ATOM 0 HG3 PRO A 60 16.393 -5.793 -0.879 1.00 0.00 H new ATOM 0 HD2 PRO A 60 14.515 -7.159 -2.300 1.00 0.00 H new ATOM 0 HD3 PRO A 60 14.895 -7.582 -0.643 1.00 0.00 H new ATOM 916 N ASN A 61 12.164 -4.341 -2.335 1.00 0.00 N ATOM 917 CA ASN A 61 11.519 -3.431 -3.275 1.00 0.00 C ATOM 918 C ASN A 61 10.087 -3.871 -3.563 1.00 0.00 C ATOM 919 O ASN A 61 9.450 -3.376 -4.494 1.00 0.00 O ATOM 920 CB ASN A 61 12.316 -3.364 -4.580 1.00 0.00 C ATOM 921 CG ASN A 61 12.919 -4.703 -4.959 1.00 0.00 C ATOM 922 OD1 ASN A 61 12.205 -5.692 -5.127 1.00 0.00 O ATOM 923 ND2 ASN A 61 14.239 -4.739 -5.095 1.00 0.00 N ATOM 0 H ASN A 61 12.273 -5.295 -2.679 1.00 0.00 H new ATOM 0 HA ASN A 61 11.491 -2.440 -2.822 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.664 -3.022 -5.384 1.00 0.00 H new ATOM 0 HB3 ASN A 61 13.112 -2.626 -4.479 1.00 0.00 H new ATOM 0 HD21 ASN A 61 14.702 -5.612 -5.349 1.00 0.00 H new ATOM 0 HD22 ASN A 61 14.790 -3.894 -4.946 1.00 0.00 H new ATOM 930 N CYS A 62 9.587 -4.802 -2.758 1.00 0.00 N ATOM 931 CA CYS A 62 8.230 -5.309 -2.926 1.00 0.00 C ATOM 932 C CYS A 62 7.451 -5.223 -1.618 1.00 0.00 C ATOM 933 O CYS A 62 7.999 -5.458 -0.540 1.00 0.00 O ATOM 934 CB CYS A 62 8.261 -6.757 -3.420 1.00 0.00 C ATOM 935 SG CYS A 62 6.828 -7.228 -4.417 1.00 0.00 S ATOM 0 H CYS A 62 10.101 -5.221 -1.983 1.00 0.00 H new ATOM 0 HA CYS A 62 7.727 -4.690 -3.669 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.166 -6.909 -4.009 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.325 -7.422 -2.559 1.00 0.00 H new ATOM 0 HG CYS A 62 7.042 -8.388 -4.963 1.00 0.00 H new ATOM 941 N VAL A 63 6.170 -4.882 -1.719 1.00 0.00 N ATOM 942 CA VAL A 63 5.316 -4.763 -0.543 1.00 0.00 C ATOM 943 C VAL A 63 4.130 -5.717 -0.627 1.00 0.00 C ATOM 944 O VAL A 63 3.465 -5.810 -1.659 1.00 0.00 O ATOM 945 CB VAL A 63 4.792 -3.325 -0.373 1.00 0.00 C ATOM 946 CG1 VAL A 63 5.948 -2.336 -0.340 1.00 0.00 C ATOM 947 CG2 VAL A 63 3.815 -2.979 -1.487 1.00 0.00 C ATOM 0 H VAL A 63 5.701 -4.683 -2.603 1.00 0.00 H new ATOM 0 HA VAL A 63 5.928 -5.023 0.320 1.00 0.00 H new ATOM 0 HB VAL A 63 4.262 -3.260 0.577 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.559 -1.325 -0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.606 -2.573 0.496 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.508 -2.400 -1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.455 -1.959 -1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.318 -3.061 -2.451 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.971 -3.669 -1.458 1.00 0.00 H new ATOM 957 N THR A 64 3.869 -6.427 0.467 1.00 0.00 N ATOM 958 CA THR A 64 2.764 -7.375 0.518 1.00 0.00 C ATOM 959 C THR A 64 1.480 -6.698 0.982 1.00 0.00 C ATOM 960 O THR A 64 1.332 -6.363 2.157 1.00 0.00 O ATOM 961 CB THR A 64 3.078 -8.554 1.458 1.00 0.00 C ATOM 962 OG1 THR A 64 4.035 -9.427 0.846 1.00 0.00 O ATOM 963 CG2 THR A 64 1.814 -9.332 1.791 1.00 0.00 C ATOM 0 H THR A 64 4.409 -6.363 1.330 1.00 0.00 H new ATOM 0 HA THR A 64 2.626 -7.754 -0.495 1.00 0.00 H new ATOM 0 HB THR A 64 3.492 -8.153 2.383 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.231 -10.173 1.451 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.061 -10.160 2.456 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.099 -8.672 2.283 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.375 -9.723 0.873 1.00 0.00 H new ATOM 971 N VAL A 65 0.551 -6.500 0.051 1.00 0.00 N ATOM 972 CA VAL A 65 -0.723 -5.864 0.366 1.00 0.00 C ATOM 973 C VAL A 65 -1.822 -6.902 0.562 1.00 0.00 C ATOM 974 O VAL A 65 -2.085 -7.719 -0.322 1.00 0.00 O ATOM 975 CB VAL A 65 -1.150 -4.884 -0.743 1.00 0.00 C ATOM 976 CG1 VAL A 65 -2.477 -4.228 -0.394 1.00 0.00 C ATOM 977 CG2 VAL A 65 -0.071 -3.835 -0.971 1.00 0.00 C ATOM 0 H VAL A 65 0.657 -6.771 -0.927 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.580 -5.311 1.294 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.281 -5.445 -1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.762 -3.539 -1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.244 -4.994 -0.285 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.377 -3.680 0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.389 -3.151 -1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.094 -3.277 -0.050 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.856 -4.325 -1.269 1.00 0.00 H new ATOM 987 N THR A 66 -2.462 -6.866 1.726 1.00 0.00 N ATOM 988 CA THR A 66 -3.533 -7.803 2.039 1.00 0.00 C ATOM 989 C THR A 66 -4.898 -7.131 1.944 1.00 0.00 C ATOM 990 O THR A 66 -5.001 -5.906 1.975 1.00 0.00 O ATOM 991 CB THR A 66 -3.363 -8.399 3.449 1.00 0.00 C ATOM 992 OG1 THR A 66 -1.978 -8.650 3.712 1.00 0.00 O ATOM 993 CG2 THR A 66 -4.154 -9.692 3.589 1.00 0.00 C ATOM 0 H THR A 66 -2.257 -6.197 2.468 1.00 0.00 H new ATOM 0 HA THR A 66 -3.475 -8.606 1.304 1.00 0.00 H new ATOM 0 HB THR A 66 -3.744 -7.678 4.172 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.879 -9.027 4.611 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.019 -10.094 4.593 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.212 -9.492 3.418 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.799 -10.417 2.857 1.00 0.00 H new ATOM 1001 N GLY A 67 -5.946 -7.942 1.830 1.00 0.00 N ATOM 1002 CA GLY A 67 -7.291 -7.407 1.733 1.00 0.00 C ATOM 1003 C GLY A 67 -8.038 -7.931 0.523 1.00 0.00 C ATOM 1004 O GLY A 67 -7.446 -8.556 -0.359 1.00 0.00 O ATOM 0 H GLY A 67 -5.887 -8.960 1.803 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.846 -7.661 2.636 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.243 -6.319 1.683 1.00 0.00 H new ATOM 1008 N LEU A 68 -9.341 -7.678 0.479 1.00 0.00 N ATOM 1009 CA LEU A 68 -10.171 -8.130 -0.632 1.00 0.00 C ATOM 1010 C LEU A 68 -9.513 -7.807 -1.970 1.00 0.00 C ATOM 1011 O LEU A 68 -8.754 -6.847 -2.101 1.00 0.00 O ATOM 1012 CB LEU A 68 -11.553 -7.478 -0.561 1.00 0.00 C ATOM 1013 CG LEU A 68 -12.493 -8.016 0.519 1.00 0.00 C ATOM 1014 CD1 LEU A 68 -12.620 -9.527 0.412 1.00 0.00 C ATOM 1015 CD2 LEU A 68 -12.001 -7.616 1.902 1.00 0.00 C ATOM 0 H LEU A 68 -9.846 -7.162 1.200 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.282 -9.212 -0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -11.420 -6.408 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -12.039 -7.596 -1.530 1.00 0.00 H new ATOM 0 HG LEU A 68 -13.479 -7.578 0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -13.293 -9.891 1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -13.020 -9.790 -0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.639 -9.984 0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.682 -8.007 2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -11.004 -8.025 2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.964 -6.529 1.975 1.00 0.00 H new ATOM 1027 N PRO A 69 -9.811 -8.627 -2.989 1.00 0.00 N ATOM 1028 CA PRO A 69 -9.261 -8.447 -4.336 1.00 0.00 C ATOM 1029 C PRO A 69 -9.826 -7.214 -5.033 1.00 0.00 C ATOM 1030 O PRO A 69 -9.241 -6.710 -5.992 1.00 0.00 O ATOM 1031 CB PRO A 69 -9.693 -9.720 -5.069 1.00 0.00 C ATOM 1032 CG PRO A 69 -10.911 -10.179 -4.344 1.00 0.00 C ATOM 1033 CD PRO A 69 -10.709 -9.791 -2.906 1.00 0.00 C ATOM 0 HA PRO A 69 -8.182 -8.294 -4.318 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.909 -9.519 -6.118 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.909 -10.477 -5.044 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -11.807 -9.711 -4.752 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -11.041 -11.257 -4.443 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.652 -9.537 -2.422 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.263 -10.602 -2.330 1.00 0.00 H new ATOM 1041 N GLU A 70 -10.965 -6.733 -4.545 1.00 0.00 N ATOM 1042 CA GLU A 70 -11.608 -5.559 -5.123 1.00 0.00 C ATOM 1043 C GLU A 70 -11.014 -4.276 -4.549 1.00 0.00 C ATOM 1044 O GLU A 70 -10.962 -3.248 -5.223 1.00 0.00 O ATOM 1045 CB GLU A 70 -13.116 -5.596 -4.864 1.00 0.00 C ATOM 1046 CG GLU A 70 -13.478 -5.704 -3.392 1.00 0.00 C ATOM 1047 CD GLU A 70 -14.945 -5.423 -3.130 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -15.796 -6.017 -3.825 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -15.241 -4.610 -2.230 1.00 0.00 O ATOM 0 H GLU A 70 -11.461 -7.138 -3.751 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.431 -5.572 -6.198 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.569 -4.694 -5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.547 -6.442 -5.399 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.234 -6.704 -3.034 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.870 -5.003 -2.820 1.00 0.00 H new ATOM 1056 N ASN A 71 -10.567 -4.345 -3.300 1.00 0.00 N ATOM 1057 CA ASN A 71 -9.977 -3.189 -2.634 1.00 0.00 C ATOM 1058 C ASN A 71 -8.488 -3.081 -2.949 1.00 0.00 C ATOM 1059 O ASN A 71 -7.962 -1.986 -3.147 1.00 0.00 O ATOM 1060 CB ASN A 71 -10.184 -3.285 -1.121 1.00 0.00 C ATOM 1061 CG ASN A 71 -11.625 -3.041 -0.718 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -12.282 -2.138 -1.237 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -12.124 -3.846 0.212 1.00 0.00 N ATOM 0 H ASN A 71 -10.602 -5.189 -2.728 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.475 -2.294 -3.006 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.876 -4.272 -0.777 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.542 -2.559 -0.622 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.088 -3.729 0.524 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.543 -4.581 0.615 1.00 0.00 H new ATOM 1070 N VAL A 72 -7.814 -4.226 -2.994 1.00 0.00 N ATOM 1071 CA VAL A 72 -6.386 -4.260 -3.287 1.00 0.00 C ATOM 1072 C VAL A 72 -6.089 -3.643 -4.649 1.00 0.00 C ATOM 1073 O VAL A 72 -5.234 -2.767 -4.770 1.00 0.00 O ATOM 1074 CB VAL A 72 -5.842 -5.701 -3.259 1.00 0.00 C ATOM 1075 CG1 VAL A 72 -4.496 -5.778 -3.963 1.00 0.00 C ATOM 1076 CG2 VAL A 72 -5.733 -6.201 -1.826 1.00 0.00 C ATOM 0 H VAL A 72 -8.234 -5.141 -2.831 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.890 -3.676 -2.511 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.541 -6.345 -3.793 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.128 -6.803 -3.933 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.609 -5.463 -5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.785 -5.122 -3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.347 -7.220 -1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.056 -5.556 -1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.718 -6.185 -1.359 1.00 0.00 H new ATOM 1086 N GLU A 73 -6.801 -4.107 -5.671 1.00 0.00 N ATOM 1087 CA GLU A 73 -6.613 -3.600 -7.025 1.00 0.00 C ATOM 1088 C GLU A 73 -6.563 -2.075 -7.033 1.00 0.00 C ATOM 1089 O GLU A 73 -5.769 -1.474 -7.756 1.00 0.00 O ATOM 1090 CB GLU A 73 -7.739 -4.089 -7.938 1.00 0.00 C ATOM 1091 CG GLU A 73 -9.124 -3.670 -7.474 1.00 0.00 C ATOM 1092 CD GLU A 73 -10.213 -4.077 -8.447 1.00 0.00 C ATOM 1093 OE1 GLU A 73 -9.882 -4.674 -9.493 1.00 0.00 O ATOM 1094 OE2 GLU A 73 -11.397 -3.799 -8.162 1.00 0.00 O ATOM 0 H GLU A 73 -7.513 -4.833 -5.587 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.662 -3.980 -7.398 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.571 -3.706 -8.945 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.699 -5.177 -7.999 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.327 -4.116 -6.500 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.147 -2.588 -7.341 1.00 0.00 H new ATOM 1101 N GLU A 74 -7.418 -1.457 -6.223 1.00 0.00 N ATOM 1102 CA GLU A 74 -7.472 -0.002 -6.139 1.00 0.00 C ATOM 1103 C GLU A 74 -6.267 0.544 -5.378 1.00 0.00 C ATOM 1104 O GLU A 74 -5.586 1.456 -5.846 1.00 0.00 O ATOM 1105 CB GLU A 74 -8.765 0.443 -5.453 1.00 0.00 C ATOM 1106 CG GLU A 74 -10.014 0.176 -6.277 1.00 0.00 C ATOM 1107 CD GLU A 74 -9.980 0.866 -7.627 1.00 0.00 C ATOM 1108 OE1 GLU A 74 -9.595 2.053 -7.676 1.00 0.00 O ATOM 1109 OE2 GLU A 74 -10.339 0.220 -8.633 1.00 0.00 O ATOM 0 H GLU A 74 -8.081 -1.940 -5.617 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.451 0.396 -7.153 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.854 -0.071 -4.496 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.703 1.510 -5.237 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.125 -0.898 -6.425 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.890 0.513 -5.723 1.00 0.00 H new ATOM 1116 N ALA A 75 -6.010 -0.021 -4.203 1.00 0.00 N ATOM 1117 CA ALA A 75 -4.887 0.407 -3.379 1.00 0.00 C ATOM 1118 C ALA A 75 -3.589 0.413 -4.179 1.00 0.00 C ATOM 1119 O ALA A 75 -2.862 1.407 -4.192 1.00 0.00 O ATOM 1120 CB ALA A 75 -4.754 -0.494 -2.159 1.00 0.00 C ATOM 0 H ALA A 75 -6.565 -0.776 -3.800 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.081 1.426 -3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.911 -0.163 -1.552 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.669 -0.444 -1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.587 -1.522 -2.482 1.00 0.00 H new ATOM 1126 N ILE A 76 -3.304 -0.702 -4.843 1.00 0.00 N ATOM 1127 CA ILE A 76 -2.094 -0.824 -5.646 1.00 0.00 C ATOM 1128 C ILE A 76 -1.942 0.359 -6.596 1.00 0.00 C ATOM 1129 O ILE A 76 -0.897 1.010 -6.632 1.00 0.00 O ATOM 1130 CB ILE A 76 -2.090 -2.128 -6.464 1.00 0.00 C ATOM 1131 CG1 ILE A 76 -2.136 -3.341 -5.532 1.00 0.00 C ATOM 1132 CG2 ILE A 76 -0.861 -2.189 -7.359 1.00 0.00 C ATOM 1133 CD1 ILE A 76 -2.659 -4.595 -6.197 1.00 0.00 C ATOM 0 H ILE A 76 -3.895 -1.534 -4.841 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.255 -0.838 -4.950 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.978 -2.145 -7.096 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.134 -3.533 -5.150 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.765 -3.106 -4.673 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.873 -3.117 -7.931 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.867 -1.341 -8.044 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.039 -2.153 -6.745 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.664 -5.414 -5.477 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.674 -4.421 -6.555 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.017 -4.855 -7.039 1.00 0.00 H new ATOM 1145 N ASP A 77 -2.992 0.634 -7.362 1.00 0.00 N ATOM 1146 CA ASP A 77 -2.978 1.741 -8.310 1.00 0.00 C ATOM 1147 C ASP A 77 -2.588 3.044 -7.619 1.00 0.00 C ATOM 1148 O ASP A 77 -1.803 3.830 -8.151 1.00 0.00 O ATOM 1149 CB ASP A 77 -4.349 1.892 -8.972 1.00 0.00 C ATOM 1150 CG ASP A 77 -4.340 2.908 -10.097 1.00 0.00 C ATOM 1151 OD1 ASP A 77 -3.297 3.037 -10.773 1.00 0.00 O ATOM 1152 OD2 ASP A 77 -5.376 3.574 -10.303 1.00 0.00 O ATOM 0 H ASP A 77 -3.864 0.105 -7.345 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.235 1.520 -9.076 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.669 0.926 -9.362 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.081 2.192 -8.222 1.00 0.00 H new ATOM 1157 N HIS A 78 -3.141 3.267 -6.431 1.00 0.00 N ATOM 1158 CA HIS A 78 -2.851 4.475 -5.667 1.00 0.00 C ATOM 1159 C HIS A 78 -1.390 4.503 -5.228 1.00 0.00 C ATOM 1160 O HIS A 78 -0.796 5.571 -5.083 1.00 0.00 O ATOM 1161 CB HIS A 78 -3.765 4.562 -4.444 1.00 0.00 C ATOM 1162 CG HIS A 78 -3.467 5.730 -3.556 1.00 0.00 C ATOM 1163 ND1 HIS A 78 -4.252 6.863 -3.514 1.00 0.00 N ATOM 1164 CD2 HIS A 78 -2.463 5.937 -2.671 1.00 0.00 C ATOM 1165 CE1 HIS A 78 -3.743 7.716 -2.643 1.00 0.00 C ATOM 1166 NE2 HIS A 78 -2.657 7.178 -2.117 1.00 0.00 N ATOM 0 H HIS A 78 -3.792 2.627 -5.977 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.035 5.335 -6.311 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -4.801 4.625 -4.778 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -3.672 3.643 -3.865 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -5.094 7.018 -4.069 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -1.659 5.253 -2.443 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -4.146 8.688 -2.402 1.00 0.00 H new ATOM 1174 N ILE A 79 -0.818 3.322 -5.018 1.00 0.00 N ATOM 1175 CA ILE A 79 0.573 3.212 -4.596 1.00 0.00 C ATOM 1176 C ILE A 79 1.521 3.639 -5.711 1.00 0.00 C ATOM 1177 O ILE A 79 2.275 4.602 -5.564 1.00 0.00 O ATOM 1178 CB ILE A 79 0.918 1.774 -4.166 1.00 0.00 C ATOM 1179 CG1 ILE A 79 0.117 1.383 -2.923 1.00 0.00 C ATOM 1180 CG2 ILE A 79 2.411 1.644 -3.903 1.00 0.00 C ATOM 1181 CD1 ILE A 79 0.266 -0.073 -2.541 1.00 0.00 C ATOM 0 H ILE A 79 -1.296 2.428 -5.133 1.00 0.00 H new ATOM 0 HA ILE A 79 0.698 3.878 -3.742 1.00 0.00 H new ATOM 0 HB ILE A 79 0.650 1.095 -4.975 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.435 2.004 -2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.937 1.598 -3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.639 0.622 -3.600 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.963 1.885 -4.812 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.702 2.332 -3.109 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.329 -0.278 -1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.079 -0.702 -3.362 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.314 -0.289 -2.334 1.00 0.00 H new ATOM 1193 N LEU A 80 1.476 2.919 -6.826 1.00 0.00 N ATOM 1194 CA LEU A 80 2.331 3.225 -7.969 1.00 0.00 C ATOM 1195 C LEU A 80 2.175 4.682 -8.390 1.00 0.00 C ATOM 1196 O LEU A 80 3.079 5.266 -8.986 1.00 0.00 O ATOM 1197 CB LEU A 80 1.994 2.304 -9.143 1.00 0.00 C ATOM 1198 CG LEU A 80 2.766 0.985 -9.205 1.00 0.00 C ATOM 1199 CD1 LEU A 80 2.087 0.013 -10.157 1.00 0.00 C ATOM 1200 CD2 LEU A 80 4.207 1.231 -9.627 1.00 0.00 C ATOM 0 H LEU A 80 0.857 2.120 -6.964 1.00 0.00 H new ATOM 0 HA LEU A 80 3.367 3.061 -7.672 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.929 2.077 -9.106 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.172 2.850 -10.070 1.00 0.00 H new ATOM 0 HG LEU A 80 2.771 0.541 -8.209 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.651 -0.920 -10.188 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.073 -0.187 -9.811 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.050 0.448 -11.156 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.742 0.282 -9.666 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.223 1.697 -10.612 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.690 1.890 -8.906 1.00 0.00 H new ATOM 1212 N ASN A 81 1.023 5.265 -8.074 1.00 0.00 N ATOM 1213 CA ASN A 81 0.750 6.656 -8.418 1.00 0.00 C ATOM 1214 C ASN A 81 1.722 7.593 -7.707 1.00 0.00 C ATOM 1215 O ASN A 81 2.300 8.489 -8.323 1.00 0.00 O ATOM 1216 CB ASN A 81 -0.689 7.021 -8.051 1.00 0.00 C ATOM 1217 CG ASN A 81 -0.907 8.520 -7.985 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -0.215 9.289 -8.652 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -1.872 8.943 -7.176 1.00 0.00 N ATOM 0 H ASN A 81 0.264 4.796 -7.580 1.00 0.00 H new ATOM 0 HA ASN A 81 0.883 6.771 -9.494 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.369 6.590 -8.786 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.939 6.578 -7.087 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.064 9.941 -7.089 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.421 8.270 -6.642 1.00 0.00 H new ATOM 1226 N LEU A 82 1.897 7.380 -6.408 1.00 0.00 N ATOM 1227 CA LEU A 82 2.799 8.205 -5.612 1.00 0.00 C ATOM 1228 C LEU A 82 4.255 7.853 -5.900 1.00 0.00 C ATOM 1229 O LEU A 82 5.123 8.726 -5.916 1.00 0.00 O ATOM 1230 CB LEU A 82 2.505 8.026 -4.122 1.00 0.00 C ATOM 1231 CG LEU A 82 1.053 8.244 -3.694 1.00 0.00 C ATOM 1232 CD1 LEU A 82 0.817 7.680 -2.301 1.00 0.00 C ATOM 1233 CD2 LEU A 82 0.701 9.723 -3.739 1.00 0.00 C ATOM 0 H LEU A 82 1.426 6.643 -5.883 1.00 0.00 H new ATOM 0 HA LEU A 82 2.635 9.247 -5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.801 7.018 -3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.136 8.717 -3.562 1.00 0.00 H new ATOM 0 HG LEU A 82 0.405 7.715 -4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.221 7.844 -2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.029 6.611 -2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.474 8.180 -1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.336 9.860 -3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.356 10.274 -3.063 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.831 10.097 -4.755 1.00 0.00 H new ATOM 1245 N GLU A 83 4.515 6.570 -6.130 1.00 0.00 N ATOM 1246 CA GLU A 83 5.866 6.104 -6.419 1.00 0.00 C ATOM 1247 C GLU A 83 6.498 6.928 -7.538 1.00 0.00 C ATOM 1248 O GLU A 83 7.679 7.267 -7.481 1.00 0.00 O ATOM 1249 CB GLU A 83 5.847 4.625 -6.809 1.00 0.00 C ATOM 1250 CG GLU A 83 7.210 4.081 -7.203 1.00 0.00 C ATOM 1251 CD GLU A 83 7.118 2.942 -8.200 1.00 0.00 C ATOM 1252 OE1 GLU A 83 6.538 1.893 -7.851 1.00 0.00 O ATOM 1253 OE2 GLU A 83 7.627 3.100 -9.329 1.00 0.00 O ATOM 0 H GLU A 83 3.808 5.835 -6.122 1.00 0.00 H new ATOM 0 HA GLU A 83 6.466 6.227 -5.517 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.461 4.042 -5.973 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.156 4.486 -7.640 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.808 4.886 -7.631 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.731 3.736 -6.310 1.00 0.00 H new ATOM 1260 N GLU A 84 5.701 7.245 -8.554 1.00 0.00 N ATOM 1261 CA GLU A 84 6.182 8.027 -9.686 1.00 0.00 C ATOM 1262 C GLU A 84 6.414 9.481 -9.284 1.00 0.00 C ATOM 1263 O GLU A 84 7.429 10.079 -9.638 1.00 0.00 O ATOM 1264 CB GLU A 84 5.183 7.959 -10.843 1.00 0.00 C ATOM 1265 CG GLU A 84 5.283 6.682 -11.659 1.00 0.00 C ATOM 1266 CD GLU A 84 6.612 6.551 -12.378 1.00 0.00 C ATOM 1267 OE1 GLU A 84 6.836 7.298 -13.353 1.00 0.00 O ATOM 1268 OE2 GLU A 84 7.428 5.701 -11.963 1.00 0.00 O ATOM 0 H GLU A 84 4.720 6.972 -8.616 1.00 0.00 H new ATOM 0 HA GLU A 84 7.132 7.602 -10.011 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.172 8.047 -10.445 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.343 8.814 -11.500 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.144 5.824 -11.002 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.475 6.658 -12.390 1.00 0.00 H new ATOM 1275 N GLU A 85 5.463 10.042 -8.543 1.00 0.00 N ATOM 1276 CA GLU A 85 5.563 11.426 -8.094 1.00 0.00 C ATOM 1277 C GLU A 85 6.845 11.648 -7.297 1.00 0.00 C ATOM 1278 O GLU A 85 7.590 12.596 -7.550 1.00 0.00 O ATOM 1279 CB GLU A 85 4.349 11.798 -7.241 1.00 0.00 C ATOM 1280 CG GLU A 85 4.417 13.201 -6.663 1.00 0.00 C ATOM 1281 CD GLU A 85 4.457 14.273 -7.735 1.00 0.00 C ATOM 1282 OE1 GLU A 85 5.437 14.300 -8.509 1.00 0.00 O ATOM 1283 OE2 GLU A 85 3.509 15.083 -7.801 1.00 0.00 O ATOM 0 H GLU A 85 4.616 9.560 -8.241 1.00 0.00 H new ATOM 0 HA GLU A 85 5.588 12.066 -8.976 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.448 11.708 -7.848 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.256 11.082 -6.424 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.552 13.367 -6.020 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.303 13.288 -6.034 1.00 0.00 H new ATOM 1290 N TYR A 86 7.096 10.769 -6.334 1.00 0.00 N ATOM 1291 CA TYR A 86 8.286 10.869 -5.498 1.00 0.00 C ATOM 1292 C TYR A 86 9.549 10.609 -6.313 1.00 0.00 C ATOM 1293 O TYR A 86 10.509 11.378 -6.256 1.00 0.00 O ATOM 1294 CB TYR A 86 8.203 9.879 -4.335 1.00 0.00 C ATOM 1295 CG TYR A 86 7.123 10.214 -3.331 1.00 0.00 C ATOM 1296 CD1 TYR A 86 7.013 11.492 -2.798 1.00 0.00 C ATOM 1297 CD2 TYR A 86 6.211 9.251 -2.916 1.00 0.00 C ATOM 1298 CE1 TYR A 86 6.028 11.801 -1.881 1.00 0.00 C ATOM 1299 CE2 TYR A 86 5.222 9.551 -1.999 1.00 0.00 C ATOM 1300 CZ TYR A 86 5.135 10.828 -1.484 1.00 0.00 C ATOM 1301 OH TYR A 86 4.152 11.132 -0.571 1.00 0.00 O ATOM 0 H TYR A 86 6.491 9.978 -6.113 1.00 0.00 H new ATOM 0 HA TYR A 86 8.335 11.883 -5.101 1.00 0.00 H new ATOM 0 HB2 TYR A 86 8.022 8.880 -4.731 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.166 9.849 -3.824 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.710 12.257 -3.106 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.276 8.250 -3.317 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.957 12.800 -1.477 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.521 8.791 -1.687 1.00 0.00 H new ATOM 0 HH TYR A 86 3.607 10.336 -0.400 1.00 0.00 H new ATOM 1311 N LEU A 87 9.540 9.519 -7.072 1.00 0.00 N ATOM 1312 CA LEU A 87 10.684 9.155 -7.901 1.00 0.00 C ATOM 1313 C LEU A 87 11.092 10.313 -8.806 1.00 0.00 C ATOM 1314 O LEU A 87 12.276 10.526 -9.063 1.00 0.00 O ATOM 1315 CB LEU A 87 10.354 7.924 -8.748 1.00 0.00 C ATOM 1316 CG LEU A 87 10.536 6.569 -8.062 1.00 0.00 C ATOM 1317 CD1 LEU A 87 10.034 5.446 -8.956 1.00 0.00 C ATOM 1318 CD2 LEU A 87 11.996 6.349 -7.694 1.00 0.00 C ATOM 0 H LEU A 87 8.754 8.872 -7.131 1.00 0.00 H new ATOM 0 HA LEU A 87 11.519 8.922 -7.241 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.319 8.004 -9.081 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.979 7.944 -9.641 1.00 0.00 H new ATOM 0 HG LEU A 87 9.947 6.566 -7.145 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.172 4.490 -8.451 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.975 5.595 -9.168 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.595 5.447 -9.891 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.106 5.380 -7.207 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.606 6.373 -8.597 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.322 7.136 -7.014 1.00 0.00 H new ATOM 1330 N ALA A 88 10.102 11.061 -9.284 1.00 0.00 N ATOM 1331 CA ALA A 88 10.358 12.200 -10.156 1.00 0.00 C ATOM 1332 C ALA A 88 11.383 13.145 -9.538 1.00 0.00 C ATOM 1333 O ALA A 88 12.049 13.902 -10.244 1.00 0.00 O ATOM 1334 CB ALA A 88 9.062 12.942 -10.449 1.00 0.00 C ATOM 0 H ALA A 88 9.116 10.898 -9.082 1.00 0.00 H new ATOM 0 HA ALA A 88 10.768 11.824 -11.093 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.268 13.791 -11.101 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.360 12.268 -10.941 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.628 13.299 -9.515 1.00 0.00 H new