USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 820 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 91 HIS : no HD1:sc= -2.79! X(o=-4.8!,f=-4.7) USER MOD Set 1.2: A 101 ASN : amide:sc= -2.05 K(o=-4.8,f=-8.5!) USER MOD Set 2.1: A 52 LYS NZ :NH3+ -146:sc= -0.496 (180deg=-1.53!) USER MOD Set 2.2: A 81 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 0.121 (180deg=0.116) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 32 LYS NZ :NH3+ -179:sc= 0.00176 (180deg=0.00173) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -7.23! C(o=-7.2!,f=-11!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 113:sc= -0.767 USER MOD Single : A 50 TYR OH : rot 180:sc= 0.58 USER MOD Single : A 55 ASN : amide:sc= -1.76 K(o=-1.8,f=-5.9!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 64 CYS SG : rot -134:sc= 0.0502 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot -170:sc= 1.21 USER MOD Single : A 70 ASN : amide:sc= -0.434 K(o=-0.43,f=-2.4!) USER MOD Single : A 71 LYS NZ :NH3+ 164:sc= -0.806 (180deg=-1.09) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 86 CYS SG : rot -20:sc= 0.948 USER MOD Single : A 92 THR OG1 : rot 78:sc= 0.861 USER MOD Single : A 93 TYR OH : rot 63:sc= 0.427 USER MOD Single : A 104 CYS SG : rot 18:sc= 0.345 USER MOD Single : A 106 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.3) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -2.2 K(o=-2.2,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 143 N LEU A 13 8.713 2.338 5.194 1.00 0.00 N ATOM 144 CA LEU A 13 7.988 3.293 4.363 1.00 0.00 C ATOM 145 C LEU A 13 8.953 4.180 3.583 1.00 0.00 C ATOM 146 O LEU A 13 10.136 4.268 3.913 1.00 0.00 O ATOM 147 CB LEU A 13 7.069 4.157 5.229 1.00 0.00 C ATOM 148 CG LEU A 13 6.182 3.406 6.223 1.00 0.00 C ATOM 149 CD1 LEU A 13 5.373 4.384 7.060 1.00 0.00 C ATOM 150 CD2 LEU A 13 5.263 2.438 5.492 1.00 0.00 C ATOM 0 HA LEU A 13 7.384 2.732 3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.685 4.864 5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.427 4.743 4.571 1.00 0.00 H new ATOM 0 HG LEU A 13 6.823 2.831 6.892 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.748 3.832 7.762 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.049 5.036 7.612 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.741 4.986 6.407 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.639 1.912 6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.629 2.991 4.800 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.862 1.716 4.937 1.00 0.00 H new ATOM 162 N LYS A 14 8.441 4.837 2.549 1.00 0.00 N ATOM 163 CA LYS A 14 9.255 5.721 1.723 1.00 0.00 C ATOM 164 C LYS A 14 8.389 6.489 0.730 1.00 0.00 C ATOM 165 O LYS A 14 7.499 5.933 0.087 1.00 0.00 O ATOM 166 CB LYS A 14 10.319 4.915 0.973 1.00 0.00 C ATOM 167 CG LYS A 14 11.390 5.776 0.327 1.00 0.00 C ATOM 168 CD LYS A 14 12.173 5.001 -0.720 1.00 0.00 C ATOM 169 CE LYS A 14 12.858 5.933 -1.707 1.00 0.00 C ATOM 170 NZ LYS A 14 11.988 6.237 -2.877 1.00 0.00 N ATOM 0 H LYS A 14 7.464 4.774 2.262 1.00 0.00 H new ATOM 0 HA LYS A 14 9.747 6.439 2.379 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.793 4.220 1.667 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.833 4.315 0.203 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.927 6.648 -0.135 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.072 6.145 1.093 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.920 4.377 -0.229 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.501 4.331 -1.257 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.127 6.861 -1.203 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.786 5.478 -2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.520 6.805 -3.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.683 5.348 -3.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.153 6.770 -2.560 1.00 0.00 H new ATOM 184 N PRO A 15 8.656 7.797 0.598 1.00 0.00 N ATOM 185 CA PRO A 15 7.913 8.668 -0.317 1.00 0.00 C ATOM 186 C PRO A 15 8.212 8.360 -1.780 1.00 0.00 C ATOM 187 O PRO A 15 9.290 7.881 -2.132 1.00 0.00 O ATOM 188 CB PRO A 15 8.410 10.070 0.046 1.00 0.00 C ATOM 189 CG PRO A 15 9.763 9.853 0.629 1.00 0.00 C ATOM 190 CD PRO A 15 9.704 8.525 1.333 1.00 0.00 C ATOM 0 HA PRO A 15 6.835 8.543 -0.214 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.456 10.713 -0.833 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.744 10.553 0.761 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.527 9.849 -0.149 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.021 10.652 1.324 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.661 8.004 1.290 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.450 8.640 2.387 1.00 0.00 H new ATOM 198 N PRO A 16 7.235 8.640 -2.656 1.00 0.00 N ATOM 199 CA PRO A 16 7.370 8.402 -4.096 1.00 0.00 C ATOM 200 C PRO A 16 8.365 9.355 -4.750 1.00 0.00 C ATOM 201 O PRO A 16 8.482 10.513 -4.351 1.00 0.00 O ATOM 202 CB PRO A 16 5.958 8.652 -4.631 1.00 0.00 C ATOM 203 CG PRO A 16 5.337 9.578 -3.643 1.00 0.00 C ATOM 204 CD PRO A 16 5.923 9.212 -2.308 1.00 0.00 C ATOM 0 HA PRO A 16 7.751 7.403 -4.310 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.985 9.095 -5.627 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.395 7.722 -4.711 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.553 10.617 -3.892 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.252 9.471 -3.636 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.023 10.083 -1.661 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.298 8.492 -1.779 1.00 0.00 H new ATOM 212 N GLU A 17 9.077 8.860 -5.758 1.00 0.00 N ATOM 213 CA GLU A 17 10.061 9.670 -6.466 1.00 0.00 C ATOM 214 C GLU A 17 9.385 10.573 -7.494 1.00 0.00 C ATOM 215 O GLU A 17 9.793 11.716 -7.694 1.00 0.00 O ATOM 216 CB GLU A 17 11.090 8.772 -7.158 1.00 0.00 C ATOM 217 CG GLU A 17 10.468 7.690 -8.025 1.00 0.00 C ATOM 218 CD GLU A 17 11.503 6.888 -8.789 1.00 0.00 C ATOM 219 OE1 GLU A 17 12.512 7.482 -9.224 1.00 0.00 O ATOM 220 OE2 GLU A 17 11.304 5.666 -8.952 1.00 0.00 O ATOM 0 H GLU A 17 8.991 7.904 -6.102 1.00 0.00 H new ATOM 0 HA GLU A 17 10.570 10.299 -5.735 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.742 9.390 -7.775 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.718 8.303 -6.401 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.884 7.017 -7.397 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.776 8.149 -8.731 1.00 0.00 H new ATOM 227 N GLN A 18 8.350 10.049 -8.143 1.00 0.00 N ATOM 228 CA GLN A 18 7.618 10.807 -9.151 1.00 0.00 C ATOM 229 C GLN A 18 6.273 10.154 -9.452 1.00 0.00 C ATOM 230 O GLN A 18 6.188 8.940 -9.630 1.00 0.00 O ATOM 231 CB GLN A 18 8.443 10.919 -10.434 1.00 0.00 C ATOM 232 CG GLN A 18 8.871 9.575 -11.001 1.00 0.00 C ATOM 233 CD GLN A 18 9.044 9.606 -12.507 1.00 0.00 C ATOM 234 OE1 GLN A 18 9.852 10.371 -13.035 1.00 0.00 O ATOM 235 NE2 GLN A 18 8.286 8.771 -13.208 1.00 0.00 N ATOM 0 H GLN A 18 8.000 9.103 -7.989 1.00 0.00 H new ATOM 0 HA GLN A 18 7.436 11.807 -8.757 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.860 11.452 -11.185 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.331 11.519 -10.234 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.810 9.272 -10.537 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.128 8.821 -10.740 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.629 8.154 -12.729 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.360 8.746 -14.225 1.00 0.00 H new ATOM 244 N GLU A 19 5.224 10.970 -9.508 1.00 0.00 N ATOM 245 CA GLU A 19 3.883 10.470 -9.787 1.00 0.00 C ATOM 246 C GLU A 19 3.920 9.380 -10.855 1.00 0.00 C ATOM 247 O GLU A 19 4.612 9.509 -11.865 1.00 0.00 O ATOM 248 CB GLU A 19 2.973 11.613 -10.241 1.00 0.00 C ATOM 249 CG GLU A 19 1.603 11.151 -10.710 1.00 0.00 C ATOM 250 CD GLU A 19 0.849 12.231 -11.462 1.00 0.00 C ATOM 251 OE1 GLU A 19 0.884 13.397 -11.017 1.00 0.00 O ATOM 252 OE2 GLU A 19 0.225 11.910 -12.494 1.00 0.00 O ATOM 0 H GLU A 19 5.277 11.978 -9.364 1.00 0.00 H new ATOM 0 HA GLU A 19 3.484 10.041 -8.868 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.848 12.316 -9.417 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.461 12.155 -11.051 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.718 10.279 -11.353 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.015 10.836 -9.848 1.00 0.00 H new ATOM 259 N ILE A 20 3.170 8.308 -10.623 1.00 0.00 N ATOM 260 CA ILE A 20 3.116 7.196 -11.564 1.00 0.00 C ATOM 261 C ILE A 20 1.744 7.099 -12.222 1.00 0.00 C ATOM 262 O ILE A 20 0.876 7.941 -11.996 1.00 0.00 O ATOM 263 CB ILE A 20 3.437 5.857 -10.873 1.00 0.00 C ATOM 264 CG1 ILE A 20 2.385 5.544 -9.806 1.00 0.00 C ATOM 265 CG2 ILE A 20 4.828 5.899 -10.257 1.00 0.00 C ATOM 266 CD1 ILE A 20 2.163 4.063 -9.594 1.00 0.00 C ATOM 0 H ILE A 20 2.592 8.186 -9.792 1.00 0.00 H new ATOM 0 HA ILE A 20 3.870 7.392 -12.327 1.00 0.00 H new ATOM 0 HB ILE A 20 3.416 5.064 -11.621 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.690 5.996 -8.862 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.441 6.008 -10.091 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.040 4.946 -9.773 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.566 6.082 -11.038 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.875 6.700 -9.519 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.405 3.915 -8.825 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.827 3.608 -10.526 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.096 3.597 -9.278 1.00 0.00 H new ATOM 278 N GLU A 21 1.556 6.065 -13.037 1.00 0.00 N ATOM 279 CA GLU A 21 0.289 5.858 -13.727 1.00 0.00 C ATOM 280 C GLU A 21 -0.324 4.513 -13.348 1.00 0.00 C ATOM 281 O GLU A 21 0.340 3.478 -13.408 1.00 0.00 O ATOM 282 CB GLU A 21 0.490 5.930 -15.242 1.00 0.00 C ATOM 283 CG GLU A 21 1.349 4.806 -15.796 1.00 0.00 C ATOM 284 CD GLU A 21 2.034 5.181 -17.096 1.00 0.00 C ATOM 285 OE1 GLU A 21 1.489 6.031 -17.830 1.00 0.00 O ATOM 286 OE2 GLU A 21 3.115 4.624 -17.378 1.00 0.00 O ATOM 0 H GLU A 21 2.265 5.359 -13.235 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.395 6.649 -13.420 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.484 5.906 -15.731 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.950 6.886 -15.494 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.103 4.533 -15.058 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.728 3.925 -15.958 1.00 0.00 H new ATOM 293 N ILE A 22 -1.594 4.537 -12.957 1.00 0.00 N ATOM 294 CA ILE A 22 -2.296 3.321 -12.569 1.00 0.00 C ATOM 295 C ILE A 22 -3.458 3.031 -13.513 1.00 0.00 C ATOM 296 O ILE A 22 -4.154 3.945 -13.956 1.00 0.00 O ATOM 297 CB ILE A 22 -2.832 3.416 -11.128 1.00 0.00 C ATOM 298 CG1 ILE A 22 -1.672 3.517 -10.135 1.00 0.00 C ATOM 299 CG2 ILE A 22 -3.707 2.212 -10.808 1.00 0.00 C ATOM 300 CD1 ILE A 22 -0.772 2.302 -10.131 1.00 0.00 C ATOM 0 H ILE A 22 -2.157 5.386 -12.901 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.573 2.508 -12.627 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.440 4.316 -11.041 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.077 4.399 -10.372 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.074 3.664 -9.133 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.078 2.293 -9.786 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.549 2.181 -11.499 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.121 1.299 -10.909 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.028 2.444 -9.404 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.353 1.420 -9.864 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.341 2.166 -11.123 1.00 0.00 H new ATOM 312 N ASP A 23 -3.663 1.754 -13.816 1.00 0.00 N ATOM 313 CA ASP A 23 -4.743 1.343 -14.706 1.00 0.00 C ATOM 314 C ASP A 23 -5.909 0.760 -13.912 1.00 0.00 C ATOM 315 O ASP A 23 -5.767 -0.265 -13.246 1.00 0.00 O ATOM 316 CB ASP A 23 -4.235 0.316 -15.719 1.00 0.00 C ATOM 317 CG ASP A 23 -3.318 0.932 -16.757 1.00 0.00 C ATOM 318 OD1 ASP A 23 -2.434 1.726 -16.372 1.00 0.00 O ATOM 319 OD2 ASP A 23 -3.484 0.619 -17.955 1.00 0.00 O ATOM 0 H ASP A 23 -3.096 0.985 -13.459 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.096 2.225 -15.241 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.703 -0.477 -15.193 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.085 -0.148 -16.219 1.00 0.00 H new ATOM 324 N ARG A 24 -7.059 1.421 -13.989 1.00 0.00 N ATOM 325 CA ARG A 24 -8.248 0.969 -13.276 1.00 0.00 C ATOM 326 C ARG A 24 -8.841 -0.271 -13.939 1.00 0.00 C ATOM 327 O ARG A 24 -9.786 -0.868 -13.426 1.00 0.00 O ATOM 328 CB ARG A 24 -9.294 2.085 -13.228 1.00 0.00 C ATOM 329 CG ARG A 24 -8.884 3.268 -12.367 1.00 0.00 C ATOM 330 CD ARG A 24 -7.881 4.158 -13.084 1.00 0.00 C ATOM 331 NE ARG A 24 -7.871 5.516 -12.546 1.00 0.00 N ATOM 332 CZ ARG A 24 -6.905 6.394 -12.786 1.00 0.00 C ATOM 333 NH1 ARG A 24 -5.875 6.060 -13.552 1.00 0.00 N ATOM 334 NH2 ARG A 24 -6.967 7.611 -12.261 1.00 0.00 N ATOM 0 H ARG A 24 -7.193 2.271 -14.537 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.955 0.710 -12.258 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.487 2.434 -14.242 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.231 1.677 -12.848 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.767 3.851 -12.104 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.450 2.908 -11.434 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.884 3.726 -12.995 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.121 4.191 -14.147 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.649 5.805 -11.953 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.824 5.126 -13.959 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.134 6.737 -13.734 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.758 7.873 -11.672 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.224 8.285 -12.446 1.00 0.00 H new ATOM 348 N ASN A 25 -8.279 -0.650 -15.082 1.00 0.00 N ATOM 349 CA ASN A 25 -8.753 -1.818 -15.815 1.00 0.00 C ATOM 350 C ASN A 25 -7.625 -2.824 -16.023 1.00 0.00 C ATOM 351 O ASN A 25 -7.803 -3.842 -16.694 1.00 0.00 O ATOM 352 CB ASN A 25 -9.331 -1.397 -17.168 1.00 0.00 C ATOM 353 CG ASN A 25 -10.596 -0.572 -17.024 1.00 0.00 C ATOM 354 OD1 ASN A 25 -11.705 -1.104 -17.058 1.00 0.00 O ATOM 355 ND2 ASN A 25 -10.433 0.736 -16.862 1.00 0.00 N ATOM 0 H ASN A 25 -7.496 -0.166 -15.520 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.536 -2.293 -15.224 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.585 -0.821 -17.716 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.546 -2.286 -17.761 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.247 1.343 -16.760 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.494 1.134 -16.840 1.00 0.00 H new ATOM 362 N ILE A 26 -6.465 -2.533 -15.444 1.00 0.00 N ATOM 363 CA ILE A 26 -5.309 -3.412 -15.565 1.00 0.00 C ATOM 364 C ILE A 26 -4.518 -3.462 -14.262 1.00 0.00 C ATOM 365 O ILE A 26 -4.286 -2.433 -13.626 1.00 0.00 O ATOM 366 CB ILE A 26 -4.375 -2.962 -16.703 1.00 0.00 C ATOM 367 CG1 ILE A 26 -5.124 -2.965 -18.038 1.00 0.00 C ATOM 368 CG2 ILE A 26 -3.152 -3.864 -16.774 1.00 0.00 C ATOM 369 CD1 ILE A 26 -5.854 -1.671 -18.324 1.00 0.00 C ATOM 0 H ILE A 26 -6.301 -1.695 -14.886 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.692 -4.407 -15.793 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.040 -1.945 -16.497 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.415 -3.158 -18.843 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.841 -3.786 -18.041 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.502 -3.532 -17.584 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.609 -3.816 -15.830 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.467 -4.891 -16.959 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.362 -1.745 -19.286 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.588 -1.486 -17.539 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.139 -0.849 -18.353 1.00 0.00 H new ATOM 381 N ILE A 27 -4.104 -4.663 -13.873 1.00 0.00 N ATOM 382 CA ILE A 27 -3.335 -4.845 -12.648 1.00 0.00 C ATOM 383 C ILE A 27 -1.900 -5.258 -12.955 1.00 0.00 C ATOM 384 O ILE A 27 -1.616 -6.435 -13.173 1.00 0.00 O ATOM 385 CB ILE A 27 -3.977 -5.905 -11.733 1.00 0.00 C ATOM 386 CG1 ILE A 27 -5.431 -5.536 -11.431 1.00 0.00 C ATOM 387 CG2 ILE A 27 -3.181 -6.045 -10.444 1.00 0.00 C ATOM 388 CD1 ILE A 27 -6.131 -6.527 -10.527 1.00 0.00 C ATOM 0 H ILE A 27 -4.288 -5.524 -14.388 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.332 -3.885 -12.133 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.965 -6.865 -12.250 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.458 -4.550 -10.966 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.981 -5.461 -12.369 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.647 -6.798 -9.808 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.161 -6.349 -10.678 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.164 -5.089 -9.921 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.157 -6.202 -10.356 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.136 -7.510 -10.999 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.605 -6.585 -9.574 1.00 0.00 H new ATOM 400 N GLN A 28 -0.999 -4.280 -12.970 1.00 0.00 N ATOM 401 CA GLN A 28 0.407 -4.543 -13.250 1.00 0.00 C ATOM 402 C GLN A 28 1.131 -5.026 -11.997 1.00 0.00 C ATOM 403 O GLN A 28 0.738 -4.699 -10.878 1.00 0.00 O ATOM 404 CB GLN A 28 1.085 -3.282 -13.790 1.00 0.00 C ATOM 405 CG GLN A 28 0.305 -2.601 -14.903 1.00 0.00 C ATOM 406 CD GLN A 28 0.523 -1.101 -14.935 1.00 0.00 C ATOM 407 OE1 GLN A 28 1.652 -0.624 -14.818 1.00 0.00 O ATOM 408 NE2 GLN A 28 -0.560 -0.349 -15.095 1.00 0.00 N ATOM 0 H GLN A 28 -1.218 -3.300 -12.792 1.00 0.00 H new ATOM 0 HA GLN A 28 0.461 -5.328 -14.004 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.225 -2.576 -12.971 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.077 -3.543 -14.160 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.600 -3.028 -15.862 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.758 -2.807 -14.776 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.476 -0.788 -15.188 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.475 0.667 -15.125 1.00 0.00 H new ATOM 417 N GLU A 29 2.189 -5.806 -12.195 1.00 0.00 N ATOM 418 CA GLU A 29 2.966 -6.336 -11.080 1.00 0.00 C ATOM 419 C GLU A 29 3.227 -5.253 -10.037 1.00 0.00 C ATOM 420 O GLU A 29 3.221 -5.521 -8.836 1.00 0.00 O ATOM 421 CB GLU A 29 4.294 -6.907 -11.581 1.00 0.00 C ATOM 422 CG GLU A 29 5.240 -5.855 -12.134 1.00 0.00 C ATOM 423 CD GLU A 29 4.785 -5.307 -13.473 1.00 0.00 C ATOM 424 OE1 GLU A 29 4.643 -6.106 -14.423 1.00 0.00 O ATOM 425 OE2 GLU A 29 4.571 -4.081 -13.571 1.00 0.00 O ATOM 0 H GLU A 29 2.528 -6.085 -13.116 1.00 0.00 H new ATOM 0 HA GLU A 29 2.388 -7.134 -10.614 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.786 -7.431 -10.762 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.092 -7.646 -12.357 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.324 -5.036 -11.420 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.235 -6.287 -12.242 1.00 0.00 H new ATOM 432 N GLU A 30 3.455 -4.030 -10.505 1.00 0.00 N ATOM 433 CA GLU A 30 3.719 -2.908 -9.613 1.00 0.00 C ATOM 434 C GLU A 30 2.703 -2.867 -8.475 1.00 0.00 C ATOM 435 O GLU A 30 3.064 -2.669 -7.315 1.00 0.00 O ATOM 436 CB GLU A 30 3.685 -1.590 -10.390 1.00 0.00 C ATOM 437 CG GLU A 30 4.999 -1.253 -11.075 1.00 0.00 C ATOM 438 CD GLU A 30 6.184 -1.323 -10.131 1.00 0.00 C ATOM 439 OE1 GLU A 30 6.263 -0.478 -9.214 1.00 0.00 O ATOM 440 OE2 GLU A 30 7.032 -2.222 -10.309 1.00 0.00 O ATOM 0 H GLU A 30 3.462 -3.791 -11.497 1.00 0.00 H new ATOM 0 HA GLU A 30 4.712 -3.043 -9.185 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.896 -1.641 -11.141 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.423 -0.782 -9.707 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.159 -1.942 -11.905 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.936 -0.251 -11.500 1.00 0.00 H new ATOM 447 N GLU A 31 1.433 -3.055 -8.817 1.00 0.00 N ATOM 448 CA GLU A 31 0.364 -3.037 -7.824 1.00 0.00 C ATOM 449 C GLU A 31 0.256 -4.386 -7.119 1.00 0.00 C ATOM 450 O GLU A 31 -0.133 -4.460 -5.953 1.00 0.00 O ATOM 451 CB GLU A 31 -0.970 -2.686 -8.485 1.00 0.00 C ATOM 452 CG GLU A 31 -0.983 -1.315 -9.141 1.00 0.00 C ATOM 453 CD GLU A 31 -2.034 -1.198 -10.227 1.00 0.00 C ATOM 454 OE1 GLU A 31 -1.994 -2.005 -11.180 1.00 0.00 O ATOM 455 OE2 GLU A 31 -2.895 -0.300 -10.126 1.00 0.00 O ATOM 0 H GLU A 31 1.118 -3.221 -9.773 1.00 0.00 H new ATOM 0 HA GLU A 31 0.604 -2.276 -7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.203 -3.441 -9.236 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.760 -2.728 -7.735 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.165 -0.555 -8.381 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.001 -1.111 -9.568 1.00 0.00 H new ATOM 462 N LYS A 32 0.601 -5.451 -7.834 1.00 0.00 N ATOM 463 CA LYS A 32 0.544 -6.798 -7.279 1.00 0.00 C ATOM 464 C LYS A 32 1.597 -6.983 -6.191 1.00 0.00 C ATOM 465 O LYS A 32 1.418 -7.781 -5.271 1.00 0.00 O ATOM 466 CB LYS A 32 0.748 -7.837 -8.384 1.00 0.00 C ATOM 467 CG LYS A 32 -0.283 -7.753 -9.496 1.00 0.00 C ATOM 468 CD LYS A 32 -0.115 -8.882 -10.499 1.00 0.00 C ATOM 469 CE LYS A 32 -1.323 -8.998 -11.415 1.00 0.00 C ATOM 470 NZ LYS A 32 -2.358 -9.912 -10.855 1.00 0.00 N ATOM 0 H LYS A 32 0.924 -5.407 -8.801 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.441 -6.939 -6.834 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.742 -7.710 -8.812 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.715 -8.834 -7.944 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.285 -7.791 -9.068 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.191 -6.795 -10.007 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.780 -8.709 -11.096 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.032 -9.823 -9.968 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.757 -8.010 -11.571 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.005 -9.364 -12.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.158 -9.978 -11.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.947 -10.857 -10.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.693 -9.540 -9.943 1.00 0.00 H new ATOM 484 N GLN A 33 2.693 -6.240 -6.303 1.00 0.00 N ATOM 485 CA GLN A 33 3.774 -6.323 -5.328 1.00 0.00 C ATOM 486 C GLN A 33 3.398 -5.605 -4.036 1.00 0.00 C ATOM 487 O GLN A 33 3.980 -5.858 -2.981 1.00 0.00 O ATOM 488 CB GLN A 33 5.057 -5.722 -5.905 1.00 0.00 C ATOM 489 CG GLN A 33 5.734 -6.609 -6.936 1.00 0.00 C ATOM 490 CD GLN A 33 7.231 -6.382 -7.010 1.00 0.00 C ATOM 491 OE1 GLN A 33 8.011 -7.095 -6.378 1.00 0.00 O ATOM 492 NE2 GLN A 33 7.641 -5.384 -7.784 1.00 0.00 N ATOM 0 H GLN A 33 2.856 -5.574 -7.058 1.00 0.00 H new ATOM 0 HA GLN A 33 3.945 -7.375 -5.101 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.824 -4.760 -6.362 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.755 -5.527 -5.091 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.541 -7.654 -6.693 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.293 -6.422 -7.915 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.960 -4.818 -8.290 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.637 -5.183 -7.872 1.00 0.00 H new ATOM 501 N ALA A 34 2.422 -4.707 -4.126 1.00 0.00 N ATOM 502 CA ALA A 34 1.968 -3.953 -2.964 1.00 0.00 C ATOM 503 C ALA A 34 0.624 -4.472 -2.464 1.00 0.00 C ATOM 504 O ALA A 34 0.255 -4.255 -1.310 1.00 0.00 O ATOM 505 CB ALA A 34 1.872 -2.473 -3.300 1.00 0.00 C ATOM 0 H ALA A 34 1.931 -4.484 -4.992 1.00 0.00 H new ATOM 0 HA ALA A 34 2.699 -4.087 -2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.532 -1.922 -2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.852 -2.104 -3.602 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.163 -2.330 -4.116 1.00 0.00 H new ATOM 511 N ILE A 35 -0.103 -5.158 -3.340 1.00 0.00 N ATOM 512 CA ILE A 35 -1.406 -5.708 -2.987 1.00 0.00 C ATOM 513 C ILE A 35 -1.481 -7.196 -3.310 1.00 0.00 C ATOM 514 O ILE A 35 -2.434 -7.676 -3.924 1.00 0.00 O ATOM 515 CB ILE A 35 -2.544 -4.976 -3.722 1.00 0.00 C ATOM 516 CG1 ILE A 35 -2.293 -3.467 -3.723 1.00 0.00 C ATOM 517 CG2 ILE A 35 -3.884 -5.295 -3.075 1.00 0.00 C ATOM 518 CD1 ILE A 35 -2.303 -2.851 -2.342 1.00 0.00 C ATOM 0 H ILE A 35 0.188 -5.346 -4.299 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.528 -5.566 -1.913 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.570 -5.321 -4.755 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.330 -3.268 -4.194 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.054 -2.981 -4.334 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.678 -4.770 -3.606 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.064 -6.369 -3.122 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.870 -4.975 -2.033 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.118 -1.780 -2.420 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.274 -3.019 -1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.524 -3.310 -1.733 1.00 0.00 H new ATOM 530 N PRO A 36 -0.452 -7.946 -2.887 1.00 0.00 N ATOM 531 CA PRO A 36 -0.379 -9.391 -3.118 1.00 0.00 C ATOM 532 C PRO A 36 -1.406 -10.163 -2.297 1.00 0.00 C ATOM 533 O PRO A 36 -1.811 -11.263 -2.670 1.00 0.00 O ATOM 534 CB PRO A 36 1.041 -9.750 -2.672 1.00 0.00 C ATOM 535 CG PRO A 36 1.407 -8.694 -1.687 1.00 0.00 C ATOM 536 CD PRO A 36 0.718 -7.440 -2.150 1.00 0.00 C ATOM 0 HA PRO A 36 -0.593 -9.649 -4.155 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.075 -10.742 -2.221 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.730 -9.760 -3.516 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.085 -8.968 -0.683 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.487 -8.554 -1.648 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.423 -6.810 -1.311 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.365 -6.838 -2.788 1.00 0.00 H new ATOM 544 N GLU A 37 -1.823 -9.578 -1.179 1.00 0.00 N ATOM 545 CA GLU A 37 -2.804 -10.212 -0.305 1.00 0.00 C ATOM 546 C GLU A 37 -4.121 -10.439 -1.041 1.00 0.00 C ATOM 547 O GLU A 37 -4.941 -11.260 -0.629 1.00 0.00 O ATOM 548 CB GLU A 37 -3.043 -9.353 0.938 1.00 0.00 C ATOM 549 CG GLU A 37 -3.881 -8.114 0.670 1.00 0.00 C ATOM 550 CD GLU A 37 -3.050 -6.941 0.187 1.00 0.00 C ATOM 551 OE1 GLU A 37 -1.842 -7.132 -0.064 1.00 0.00 O ATOM 552 OE2 GLU A 37 -3.609 -5.831 0.061 1.00 0.00 O ATOM 0 H GLU A 37 -1.497 -8.667 -0.857 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.408 -11.180 0.002 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.537 -9.958 1.698 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.081 -9.048 1.349 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.641 -8.348 -0.076 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.407 -7.831 1.582 1.00 0.00 H new ATOM 559 N PHE A 38 -4.317 -9.705 -2.132 1.00 0.00 N ATOM 560 CA PHE A 38 -5.535 -9.825 -2.925 1.00 0.00 C ATOM 561 C PHE A 38 -5.278 -10.622 -4.200 1.00 0.00 C ATOM 562 O PHE A 38 -6.167 -10.780 -5.037 1.00 0.00 O ATOM 563 CB PHE A 38 -6.077 -8.438 -3.278 1.00 0.00 C ATOM 564 CG PHE A 38 -7.032 -7.890 -2.256 1.00 0.00 C ATOM 565 CD1 PHE A 38 -8.213 -8.554 -1.966 1.00 0.00 C ATOM 566 CD2 PHE A 38 -6.749 -6.711 -1.586 1.00 0.00 C ATOM 567 CE1 PHE A 38 -9.095 -8.053 -1.027 1.00 0.00 C ATOM 568 CE2 PHE A 38 -7.626 -6.205 -0.646 1.00 0.00 C ATOM 569 CZ PHE A 38 -8.801 -6.876 -0.366 1.00 0.00 C ATOM 0 H PHE A 38 -3.648 -9.021 -2.487 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.276 -10.357 -2.328 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.241 -7.748 -3.390 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.580 -8.488 -4.244 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -8.447 -9.474 -2.480 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.833 -6.181 -1.801 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -10.012 -8.581 -0.810 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -7.393 -5.285 -0.130 1.00 0.00 H new ATOM 0 HZ PHE A 38 -9.488 -6.481 0.368 1.00 0.00 H new ATOM 579 N PHE A 39 -4.055 -11.123 -4.341 1.00 0.00 N ATOM 580 CA PHE A 39 -3.679 -11.903 -5.514 1.00 0.00 C ATOM 581 C PHE A 39 -3.118 -13.263 -5.106 1.00 0.00 C ATOM 582 O PHE A 39 -2.539 -13.976 -5.924 1.00 0.00 O ATOM 583 CB PHE A 39 -2.646 -11.143 -6.349 1.00 0.00 C ATOM 584 CG PHE A 39 -3.133 -9.807 -6.833 1.00 0.00 C ATOM 585 CD1 PHE A 39 -4.221 -9.718 -7.686 1.00 0.00 C ATOM 586 CD2 PHE A 39 -2.502 -8.639 -6.434 1.00 0.00 C ATOM 587 CE1 PHE A 39 -4.672 -8.491 -8.132 1.00 0.00 C ATOM 588 CE2 PHE A 39 -2.949 -7.408 -6.877 1.00 0.00 C ATOM 589 CZ PHE A 39 -4.035 -7.334 -7.728 1.00 0.00 C ATOM 0 H PHE A 39 -3.308 -11.003 -3.657 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.574 -12.064 -6.114 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.745 -10.998 -5.754 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.366 -11.752 -7.209 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.723 -10.619 -8.006 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.652 -8.691 -5.770 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.522 -8.436 -8.796 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.450 -6.505 -6.558 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.385 -6.374 -8.077 1.00 0.00 H new ATOM 599 N GLU A 40 -3.295 -13.612 -3.836 1.00 0.00 N ATOM 600 CA GLU A 40 -2.805 -14.885 -3.320 1.00 0.00 C ATOM 601 C GLU A 40 -3.577 -16.052 -3.929 1.00 0.00 C ATOM 602 O GLU A 40 -3.005 -16.895 -4.619 1.00 0.00 O ATOM 603 CB GLU A 40 -2.924 -14.922 -1.795 1.00 0.00 C ATOM 604 CG GLU A 40 -1.732 -14.312 -1.076 1.00 0.00 C ATOM 605 CD GLU A 40 -0.504 -15.201 -1.126 1.00 0.00 C ATOM 606 OE1 GLU A 40 -0.500 -16.246 -0.443 1.00 0.00 O ATOM 607 OE2 GLU A 40 0.452 -14.850 -1.849 1.00 0.00 O ATOM 0 H GLU A 40 -3.773 -13.032 -3.146 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.755 -14.981 -3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.828 -14.391 -1.497 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.041 -15.957 -1.473 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.496 -13.347 -1.525 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.997 -14.123 -0.036 1.00 0.00 H new ATOM 614 N GLY A 41 -4.880 -16.094 -3.667 1.00 0.00 N ATOM 615 CA GLY A 41 -5.708 -17.162 -4.196 1.00 0.00 C ATOM 616 C GLY A 41 -6.918 -17.442 -3.326 1.00 0.00 C ATOM 617 O GLY A 41 -7.899 -18.027 -3.785 1.00 0.00 O ATOM 0 H GLY A 41 -5.376 -15.408 -3.098 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.040 -16.897 -5.200 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.111 -18.070 -4.286 1.00 0.00 H new ATOM 621 N ARG A 42 -6.848 -17.024 -2.066 1.00 0.00 N ATOM 622 CA ARG A 42 -7.945 -17.236 -1.130 1.00 0.00 C ATOM 623 C ARG A 42 -9.243 -16.642 -1.669 1.00 0.00 C ATOM 624 O ARG A 42 -9.224 -15.785 -2.552 1.00 0.00 O ATOM 625 CB ARG A 42 -7.612 -16.613 0.228 1.00 0.00 C ATOM 626 CG ARG A 42 -6.274 -17.062 0.792 1.00 0.00 C ATOM 627 CD ARG A 42 -6.010 -16.444 2.156 1.00 0.00 C ATOM 628 NE ARG A 42 -6.580 -17.243 3.238 1.00 0.00 N ATOM 629 CZ ARG A 42 -7.830 -17.111 3.669 1.00 0.00 C ATOM 630 NH1 ARG A 42 -8.636 -16.217 3.112 1.00 0.00 N ATOM 631 NH2 ARG A 42 -8.276 -17.874 4.658 1.00 0.00 N ATOM 0 H ARG A 42 -6.044 -16.537 -1.671 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.081 -18.310 -1.006 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.609 -15.527 0.129 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.399 -16.867 0.938 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.259 -18.149 0.874 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.476 -16.783 0.104 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.935 -16.344 2.307 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.431 -15.439 2.187 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.986 -17.940 3.687 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.297 -15.629 2.351 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.595 -16.118 3.445 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.659 -18.563 5.089 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.236 -17.772 4.988 1.00 0.00 H new ATOM 645 N GLN A 43 -10.367 -17.106 -1.132 1.00 0.00 N ATOM 646 CA GLN A 43 -11.674 -16.621 -1.561 1.00 0.00 C ATOM 647 C GLN A 43 -11.954 -15.234 -0.993 1.00 0.00 C ATOM 648 O GLN A 43 -12.439 -14.350 -1.699 1.00 0.00 O ATOM 649 CB GLN A 43 -12.771 -17.594 -1.125 1.00 0.00 C ATOM 650 CG GLN A 43 -12.854 -17.781 0.382 1.00 0.00 C ATOM 651 CD GLN A 43 -13.642 -16.680 1.063 1.00 0.00 C ATOM 652 OE1 GLN A 43 -13.150 -16.029 1.986 1.00 0.00 O ATOM 653 NE2 GLN A 43 -14.872 -16.465 0.612 1.00 0.00 N ATOM 0 H GLN A 43 -10.399 -17.816 -0.400 1.00 0.00 H new ATOM 0 HA GLN A 43 -11.669 -16.554 -2.649 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.732 -17.233 -1.492 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.594 -18.562 -1.594 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -13.318 -18.743 0.600 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.846 -17.812 0.797 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -15.240 -17.028 -0.155 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -15.449 -15.737 1.032 1.00 0.00 H new ATOM 662 N ALA A 44 -11.644 -15.050 0.286 1.00 0.00 N ATOM 663 CA ALA A 44 -11.860 -13.769 0.948 1.00 0.00 C ATOM 664 C ALA A 44 -11.184 -12.636 0.185 1.00 0.00 C ATOM 665 O ALA A 44 -11.827 -11.653 -0.187 1.00 0.00 O ATOM 666 CB ALA A 44 -11.349 -13.823 2.380 1.00 0.00 C ATOM 0 H ALA A 44 -11.242 -15.772 0.885 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.932 -13.572 0.964 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -11.516 -12.860 2.863 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -11.882 -14.601 2.927 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -10.282 -14.047 2.377 1.00 0.00 H new ATOM 672 N LYS A 45 -9.883 -12.777 -0.046 1.00 0.00 N ATOM 673 CA LYS A 45 -9.119 -11.765 -0.765 1.00 0.00 C ATOM 674 C LYS A 45 -9.081 -12.072 -2.259 1.00 0.00 C ATOM 675 O LYS A 45 -8.345 -12.954 -2.704 1.00 0.00 O ATOM 676 CB LYS A 45 -7.693 -11.686 -0.214 1.00 0.00 C ATOM 677 CG LYS A 45 -7.610 -11.894 1.289 1.00 0.00 C ATOM 678 CD LYS A 45 -7.895 -10.609 2.046 1.00 0.00 C ATOM 679 CE LYS A 45 -6.644 -9.756 2.189 1.00 0.00 C ATOM 680 NZ LYS A 45 -5.862 -10.117 3.405 1.00 0.00 N ATOM 0 H LYS A 45 -9.335 -13.583 0.255 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.612 -10.803 -0.621 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.078 -12.436 -0.711 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.270 -10.712 -0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.323 -12.661 1.591 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.618 -12.260 1.552 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.666 -10.042 1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.289 -10.847 3.034 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.018 -9.878 1.305 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.925 -8.704 2.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.017 -9.513 3.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.451 -9.976 4.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.571 -11.114 3.348 1.00 0.00 H new ATOM 694 N THR A 46 -9.878 -11.338 -3.030 1.00 0.00 N ATOM 695 CA THR A 46 -9.935 -11.532 -4.473 1.00 0.00 C ATOM 696 C THR A 46 -9.478 -10.280 -5.214 1.00 0.00 C ATOM 697 O THR A 46 -9.605 -9.158 -4.724 1.00 0.00 O ATOM 698 CB THR A 46 -11.358 -11.897 -4.935 1.00 0.00 C ATOM 699 OG1 THR A 46 -12.259 -10.823 -4.641 1.00 0.00 O ATOM 700 CG2 THR A 46 -11.838 -13.170 -4.254 1.00 0.00 C ATOM 0 H THR A 46 -10.493 -10.604 -2.679 1.00 0.00 H new ATOM 0 HA THR A 46 -9.262 -12.357 -4.708 1.00 0.00 H new ATOM 0 HB THR A 46 -11.335 -12.067 -6.011 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.576 -10.424 -5.478 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.845 -13.408 -4.596 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.167 -13.992 -4.504 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.847 -13.024 -3.174 1.00 0.00 H new ATOM 708 N PRO A 47 -8.933 -10.474 -6.424 1.00 0.00 N ATOM 709 CA PRO A 47 -8.447 -9.372 -7.259 1.00 0.00 C ATOM 710 C PRO A 47 -9.583 -8.510 -7.800 1.00 0.00 C ATOM 711 O PRO A 47 -9.470 -7.286 -7.861 1.00 0.00 O ATOM 712 CB PRO A 47 -7.726 -10.086 -8.405 1.00 0.00 C ATOM 713 CG PRO A 47 -8.370 -11.427 -8.481 1.00 0.00 C ATOM 714 CD PRO A 47 -8.750 -11.784 -7.071 1.00 0.00 C ATOM 0 HA PRO A 47 -7.811 -8.686 -6.699 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.836 -9.541 -9.342 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.657 -10.171 -8.209 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.247 -11.403 -9.127 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.686 -12.165 -8.900 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -9.663 -12.379 -7.039 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.972 -12.369 -6.581 1.00 0.00 H new ATOM 722 N GLU A 48 -10.677 -9.157 -8.191 1.00 0.00 N ATOM 723 CA GLU A 48 -11.833 -8.449 -8.727 1.00 0.00 C ATOM 724 C GLU A 48 -12.453 -7.541 -7.669 1.00 0.00 C ATOM 725 O GLU A 48 -13.090 -6.538 -7.992 1.00 0.00 O ATOM 726 CB GLU A 48 -12.877 -9.443 -9.238 1.00 0.00 C ATOM 727 CG GLU A 48 -12.561 -10.005 -10.614 1.00 0.00 C ATOM 728 CD GLU A 48 -13.097 -9.136 -11.735 1.00 0.00 C ATOM 729 OE1 GLU A 48 -12.548 -8.034 -11.947 1.00 0.00 O ATOM 730 OE2 GLU A 48 -14.066 -9.558 -12.401 1.00 0.00 O ATOM 0 H GLU A 48 -10.786 -10.170 -8.146 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.495 -7.831 -9.558 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.960 -10.267 -8.529 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.849 -8.951 -9.270 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.481 -10.106 -10.722 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.985 -11.005 -10.700 1.00 0.00 H new ATOM 737 N ARG A 49 -12.263 -7.901 -6.404 1.00 0.00 N ATOM 738 CA ARG A 49 -12.805 -7.121 -5.298 1.00 0.00 C ATOM 739 C ARG A 49 -11.923 -5.911 -5.002 1.00 0.00 C ATOM 740 O ARG A 49 -12.421 -4.806 -4.785 1.00 0.00 O ATOM 741 CB ARG A 49 -12.932 -7.991 -4.046 1.00 0.00 C ATOM 742 CG ARG A 49 -13.655 -7.306 -2.898 1.00 0.00 C ATOM 743 CD ARG A 49 -13.982 -8.285 -1.782 1.00 0.00 C ATOM 744 NE ARG A 49 -15.104 -9.154 -2.127 1.00 0.00 N ATOM 745 CZ ARG A 49 -15.519 -10.157 -1.362 1.00 0.00 C ATOM 746 NH1 ARG A 49 -14.908 -10.417 -0.214 1.00 0.00 N ATOM 747 NH2 ARG A 49 -16.548 -10.903 -1.744 1.00 0.00 N ATOM 0 H ARG A 49 -11.738 -8.728 -6.120 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.794 -6.766 -5.588 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.463 -8.907 -4.303 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.936 -8.283 -3.714 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.035 -6.500 -2.506 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -14.575 -6.851 -3.266 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.105 -8.895 -1.566 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.218 -7.732 -0.873 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.596 -8.981 -3.004 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.117 -9.846 0.084 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.229 -11.188 0.371 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.021 -10.706 -2.626 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.866 -11.673 -1.156 1.00 0.00 H new ATOM 761 N TYR A 50 -10.613 -6.128 -4.994 1.00 0.00 N ATOM 762 CA TYR A 50 -9.662 -5.057 -4.722 1.00 0.00 C ATOM 763 C TYR A 50 -9.817 -3.923 -5.730 1.00 0.00 C ATOM 764 O TYR A 50 -9.710 -2.746 -5.381 1.00 0.00 O ATOM 765 CB TYR A 50 -8.231 -5.596 -4.759 1.00 0.00 C ATOM 766 CG TYR A 50 -7.201 -4.552 -5.128 1.00 0.00 C ATOM 767 CD1 TYR A 50 -6.889 -4.295 -6.457 1.00 0.00 C ATOM 768 CD2 TYR A 50 -6.538 -3.824 -4.147 1.00 0.00 C ATOM 769 CE1 TYR A 50 -5.948 -3.343 -6.799 1.00 0.00 C ATOM 770 CE2 TYR A 50 -5.597 -2.869 -4.480 1.00 0.00 C ATOM 771 CZ TYR A 50 -5.305 -2.632 -5.807 1.00 0.00 C ATOM 772 OH TYR A 50 -4.367 -1.683 -6.142 1.00 0.00 O ATOM 0 H TYR A 50 -10.185 -7.036 -5.173 1.00 0.00 H new ATOM 0 HA TYR A 50 -9.869 -4.665 -3.726 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.982 -6.011 -3.782 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.179 -6.416 -5.476 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -7.391 -4.849 -7.237 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.762 -4.008 -3.107 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.717 -3.156 -7.837 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.093 -2.311 -3.705 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.010 -1.274 -5.326 1.00 0.00 H new ATOM 782 N LEU A 51 -10.069 -4.284 -6.984 1.00 0.00 N ATOM 783 CA LEU A 51 -10.240 -3.298 -8.045 1.00 0.00 C ATOM 784 C LEU A 51 -11.373 -2.332 -7.714 1.00 0.00 C ATOM 785 O LEU A 51 -11.235 -1.119 -7.868 1.00 0.00 O ATOM 786 CB LEU A 51 -10.522 -3.996 -9.376 1.00 0.00 C ATOM 787 CG LEU A 51 -9.297 -4.357 -10.217 1.00 0.00 C ATOM 788 CD1 LEU A 51 -9.722 -4.939 -11.556 1.00 0.00 C ATOM 789 CD2 LEU A 51 -8.410 -3.137 -10.421 1.00 0.00 C ATOM 0 H LEU A 51 -10.159 -5.253 -7.290 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.315 -2.728 -8.130 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.081 -4.910 -9.173 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.170 -3.352 -9.971 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.723 -5.113 -9.681 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.837 -5.190 -12.141 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.315 -5.839 -11.390 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.319 -4.206 -12.098 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.543 -3.414 -11.022 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.974 -2.359 -10.935 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.076 -2.764 -9.453 1.00 0.00 H new ATOM 801 N LYS A 52 -12.494 -2.879 -7.255 1.00 0.00 N ATOM 802 CA LYS A 52 -13.651 -2.067 -6.898 1.00 0.00 C ATOM 803 C LYS A 52 -13.261 -0.963 -5.920 1.00 0.00 C ATOM 804 O LYS A 52 -13.691 0.183 -6.060 1.00 0.00 O ATOM 805 CB LYS A 52 -14.745 -2.944 -6.283 1.00 0.00 C ATOM 806 CG LYS A 52 -16.150 -2.420 -6.522 1.00 0.00 C ATOM 807 CD LYS A 52 -16.481 -1.264 -5.592 1.00 0.00 C ATOM 808 CE LYS A 52 -17.130 -1.752 -4.306 1.00 0.00 C ATOM 809 NZ LYS A 52 -18.212 -2.741 -4.571 1.00 0.00 N ATOM 0 H LYS A 52 -12.625 -3.882 -7.122 1.00 0.00 H new ATOM 0 HA LYS A 52 -14.033 -1.604 -7.808 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.667 -3.950 -6.695 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.574 -3.024 -5.210 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.246 -2.094 -7.558 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -16.870 -3.225 -6.373 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.570 -0.714 -5.355 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -17.151 -0.569 -6.098 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -16.373 -2.205 -3.666 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -17.541 -0.902 -3.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -18.966 -2.628 -3.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -18.602 -2.582 -5.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -17.824 -3.704 -4.512 1.00 0.00 H new ATOM 823 N ILE A 53 -12.443 -1.314 -4.934 1.00 0.00 N ATOM 824 CA ILE A 53 -11.993 -0.352 -3.936 1.00 0.00 C ATOM 825 C ILE A 53 -10.947 0.593 -4.516 1.00 0.00 C ATOM 826 O ILE A 53 -11.009 1.806 -4.311 1.00 0.00 O ATOM 827 CB ILE A 53 -11.403 -1.057 -2.700 1.00 0.00 C ATOM 828 CG1 ILE A 53 -12.332 -2.181 -2.235 1.00 0.00 C ATOM 829 CG2 ILE A 53 -11.173 -0.055 -1.578 1.00 0.00 C ATOM 830 CD1 ILE A 53 -11.625 -3.260 -1.446 1.00 0.00 C ATOM 0 H ILE A 53 -12.078 -2.258 -4.805 1.00 0.00 H new ATOM 0 HA ILE A 53 -12.869 0.221 -3.633 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.443 -1.494 -2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.126 -1.755 -1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.808 -2.632 -3.106 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -10.756 -0.568 -0.712 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.477 0.714 -1.914 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -12.121 0.408 -1.304 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.344 -4.024 -1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.849 -3.713 -2.063 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -11.172 -2.823 -0.556 1.00 0.00 H new ATOM 842 N ARG A 54 -9.987 0.030 -5.242 1.00 0.00 N ATOM 843 CA ARG A 54 -8.926 0.822 -5.853 1.00 0.00 C ATOM 844 C ARG A 54 -9.509 1.971 -6.671 1.00 0.00 C ATOM 845 O ARG A 54 -9.457 3.129 -6.259 1.00 0.00 O ATOM 846 CB ARG A 54 -8.050 -0.060 -6.744 1.00 0.00 C ATOM 847 CG ARG A 54 -6.983 0.711 -7.503 1.00 0.00 C ATOM 848 CD ARG A 54 -6.653 0.046 -8.830 1.00 0.00 C ATOM 849 NE ARG A 54 -5.640 -0.996 -8.683 1.00 0.00 N ATOM 850 CZ ARG A 54 -5.100 -1.645 -9.709 1.00 0.00 C ATOM 851 NH1 ARG A 54 -5.474 -1.361 -10.949 1.00 0.00 N ATOM 852 NH2 ARG A 54 -4.184 -2.581 -9.494 1.00 0.00 N ATOM 0 H ARG A 54 -9.922 -0.972 -5.422 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.313 1.241 -5.055 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.568 -0.819 -6.128 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.685 -0.584 -7.458 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.326 1.730 -7.681 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.081 0.780 -6.895 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.559 -0.387 -9.254 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.299 0.799 -9.535 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.330 -1.239 -7.742 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.178 -0.643 -11.117 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.058 -1.861 -11.734 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.895 -2.802 -8.541 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.769 -3.079 -10.282 1.00 0.00 H new ATOM 866 N ASN A 55 -10.063 1.641 -7.833 1.00 0.00 N ATOM 867 CA ASN A 55 -10.655 2.645 -8.711 1.00 0.00 C ATOM 868 C ASN A 55 -11.491 3.640 -7.912 1.00 0.00 C ATOM 869 O ASN A 55 -11.439 4.846 -8.155 1.00 0.00 O ATOM 870 CB ASN A 55 -11.522 1.973 -9.777 1.00 0.00 C ATOM 871 CG ASN A 55 -10.762 0.922 -10.562 1.00 0.00 C ATOM 872 OD1 ASN A 55 -9.537 0.831 -10.475 1.00 0.00 O ATOM 873 ND2 ASN A 55 -11.487 0.122 -11.335 1.00 0.00 N ATOM 0 H ASN A 55 -10.115 0.686 -8.189 1.00 0.00 H new ATOM 0 HA ASN A 55 -9.846 3.187 -9.200 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -12.387 1.512 -9.300 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -11.902 2.730 -10.463 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.031 -0.604 -11.887 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -12.500 0.233 -11.376 1.00 0.00 H new ATOM 880 N TYR A 56 -12.260 3.127 -6.958 1.00 0.00 N ATOM 881 CA TYR A 56 -13.109 3.970 -6.125 1.00 0.00 C ATOM 882 C TYR A 56 -12.293 5.072 -5.456 1.00 0.00 C ATOM 883 O TYR A 56 -12.659 6.247 -5.505 1.00 0.00 O ATOM 884 CB TYR A 56 -13.815 3.127 -5.062 1.00 0.00 C ATOM 885 CG TYR A 56 -14.937 3.855 -4.358 1.00 0.00 C ATOM 886 CD1 TYR A 56 -14.669 4.837 -3.412 1.00 0.00 C ATOM 887 CD2 TYR A 56 -16.266 3.562 -4.638 1.00 0.00 C ATOM 888 CE1 TYR A 56 -15.691 5.505 -2.766 1.00 0.00 C ATOM 889 CE2 TYR A 56 -17.295 4.226 -3.998 1.00 0.00 C ATOM 890 CZ TYR A 56 -17.002 5.196 -3.062 1.00 0.00 C ATOM 891 OH TYR A 56 -18.024 5.859 -2.421 1.00 0.00 O ATOM 0 H TYR A 56 -12.313 2.131 -6.742 1.00 0.00 H new ATOM 0 HA TYR A 56 -13.857 4.435 -6.767 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -14.215 2.227 -5.530 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -13.083 2.803 -4.322 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -13.644 5.082 -3.178 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -16.499 2.802 -5.369 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -15.465 6.265 -2.033 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -18.323 3.987 -4.229 1.00 0.00 H new ATOM 0 HH TYR A 56 -18.886 5.523 -2.745 1.00 0.00 H new ATOM 901 N ILE A 57 -11.186 4.684 -4.832 1.00 0.00 N ATOM 902 CA ILE A 57 -10.317 5.638 -4.155 1.00 0.00 C ATOM 903 C ILE A 57 -9.687 6.609 -5.148 1.00 0.00 C ATOM 904 O ILE A 57 -9.765 7.827 -4.978 1.00 0.00 O ATOM 905 CB ILE A 57 -9.199 4.925 -3.372 1.00 0.00 C ATOM 906 CG1 ILE A 57 -9.786 4.166 -2.180 1.00 0.00 C ATOM 907 CG2 ILE A 57 -8.155 5.928 -2.906 1.00 0.00 C ATOM 908 CD1 ILE A 57 -8.906 3.037 -1.690 1.00 0.00 C ATOM 0 H ILE A 57 -10.870 3.716 -4.781 1.00 0.00 H new ATOM 0 HA ILE A 57 -10.942 6.192 -3.455 1.00 0.00 H new ATOM 0 HB ILE A 57 -8.714 4.207 -4.033 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -9.955 4.866 -1.362 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -10.759 3.762 -2.460 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.372 5.408 -2.354 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.719 6.428 -3.771 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.625 6.668 -2.258 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.385 2.544 -0.844 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.758 2.316 -2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.941 3.437 -1.378 1.00 0.00 H new ATOM 920 N LEU A 58 -9.063 6.063 -6.186 1.00 0.00 N ATOM 921 CA LEU A 58 -8.421 6.880 -7.209 1.00 0.00 C ATOM 922 C LEU A 58 -9.398 7.901 -7.783 1.00 0.00 C ATOM 923 O LEU A 58 -9.012 9.019 -8.128 1.00 0.00 O ATOM 924 CB LEU A 58 -7.875 5.994 -8.330 1.00 0.00 C ATOM 925 CG LEU A 58 -6.450 5.473 -8.139 1.00 0.00 C ATOM 926 CD1 LEU A 58 -6.185 4.293 -9.062 1.00 0.00 C ATOM 927 CD2 LEU A 58 -5.438 6.583 -8.385 1.00 0.00 C ATOM 0 H LEU A 58 -8.988 5.058 -6.341 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.594 7.417 -6.744 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.541 5.139 -8.447 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.913 6.557 -9.262 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.343 5.134 -7.109 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.166 3.936 -8.912 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.888 3.491 -8.838 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.311 4.606 -10.098 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.430 6.194 -8.244 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.545 6.954 -9.404 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.614 7.398 -7.682 1.00 0.00 H new ATOM 939 N ASP A 59 -10.664 7.511 -7.881 1.00 0.00 N ATOM 940 CA ASP A 59 -11.697 8.394 -8.410 1.00 0.00 C ATOM 941 C ASP A 59 -11.864 9.626 -7.526 1.00 0.00 C ATOM 942 O ASP A 59 -11.803 10.757 -8.006 1.00 0.00 O ATOM 943 CB ASP A 59 -13.027 7.647 -8.522 1.00 0.00 C ATOM 944 CG ASP A 59 -14.026 8.372 -9.401 1.00 0.00 C ATOM 945 OD1 ASP A 59 -14.694 9.300 -8.899 1.00 0.00 O ATOM 946 OD2 ASP A 59 -14.142 8.012 -10.592 1.00 0.00 O ATOM 0 H ASP A 59 -11.000 6.589 -7.601 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.388 8.721 -9.403 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.848 6.651 -8.926 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.451 7.516 -7.527 1.00 0.00 H new ATOM 951 N GLN A 60 -12.076 9.397 -6.235 1.00 0.00 N ATOM 952 CA GLN A 60 -12.254 10.489 -5.285 1.00 0.00 C ATOM 953 C GLN A 60 -11.028 11.395 -5.262 1.00 0.00 C ATOM 954 O GLN A 60 -11.139 12.600 -5.035 1.00 0.00 O ATOM 955 CB GLN A 60 -12.521 9.936 -3.884 1.00 0.00 C ATOM 956 CG GLN A 60 -13.630 8.897 -3.841 1.00 0.00 C ATOM 957 CD GLN A 60 -14.989 9.479 -4.175 1.00 0.00 C ATOM 958 OE1 GLN A 60 -15.390 10.505 -3.624 1.00 0.00 O ATOM 959 NE2 GLN A 60 -15.707 8.825 -5.080 1.00 0.00 N ATOM 0 H GLN A 60 -12.129 8.466 -5.822 1.00 0.00 H new ATOM 0 HA GLN A 60 -13.113 11.079 -5.604 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.604 9.492 -3.497 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -12.781 10.761 -3.220 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.400 8.096 -4.544 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -13.665 8.450 -2.848 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.335 7.979 -5.511 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.630 9.169 -5.344 1.00 0.00 H new ATOM 968 N TRP A 61 -9.860 10.808 -5.497 1.00 0.00 N ATOM 969 CA TRP A 61 -8.613 11.563 -5.502 1.00 0.00 C ATOM 970 C TRP A 61 -8.671 12.703 -6.513 1.00 0.00 C ATOM 971 O TRP A 61 -8.366 13.850 -6.187 1.00 0.00 O ATOM 972 CB TRP A 61 -7.435 10.641 -5.822 1.00 0.00 C ATOM 973 CG TRP A 61 -6.298 11.342 -6.501 1.00 0.00 C ATOM 974 CD1 TRP A 61 -5.763 11.045 -7.722 1.00 0.00 C ATOM 975 CD2 TRP A 61 -5.555 12.457 -5.996 1.00 0.00 C ATOM 976 NE1 TRP A 61 -4.733 11.908 -8.007 1.00 0.00 N ATOM 977 CE2 TRP A 61 -4.586 12.784 -6.965 1.00 0.00 C ATOM 978 CE3 TRP A 61 -5.616 13.213 -4.822 1.00 0.00 C ATOM 979 CZ2 TRP A 61 -3.686 13.832 -6.792 1.00 0.00 C ATOM 980 CZ3 TRP A 61 -4.722 14.252 -4.652 1.00 0.00 C ATOM 981 CH2 TRP A 61 -3.768 14.555 -5.633 1.00 0.00 C ATOM 0 H TRP A 61 -9.751 9.812 -5.687 1.00 0.00 H new ATOM 0 HA TRP A 61 -8.472 11.989 -4.509 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -7.074 10.191 -4.897 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -7.783 9.827 -6.459 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -6.100 10.248 -8.369 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -4.169 11.898 -8.857 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.349 12.989 -4.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.949 14.066 -7.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -4.759 14.841 -3.748 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.084 15.375 -5.471 1.00 0.00 H new ATOM 992 N GLU A 62 -9.063 12.380 -7.742 1.00 0.00 N ATOM 993 CA GLU A 62 -9.160 13.378 -8.800 1.00 0.00 C ATOM 994 C GLU A 62 -10.296 14.358 -8.521 1.00 0.00 C ATOM 995 O GLU A 62 -10.336 15.454 -9.082 1.00 0.00 O ATOM 996 CB GLU A 62 -9.378 12.699 -10.154 1.00 0.00 C ATOM 997 CG GLU A 62 -8.730 11.329 -10.259 1.00 0.00 C ATOM 998 CD GLU A 62 -8.393 10.952 -11.689 1.00 0.00 C ATOM 999 OE1 GLU A 62 -9.323 10.607 -12.447 1.00 0.00 O ATOM 1000 OE2 GLU A 62 -7.198 11.002 -12.049 1.00 0.00 O ATOM 0 H GLU A 62 -9.318 11.435 -8.029 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.223 13.934 -8.827 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.449 12.600 -10.333 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.981 13.341 -10.941 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.820 11.314 -9.659 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.401 10.580 -9.838 1.00 0.00 H new ATOM 1007 N ILE A 63 -11.217 13.955 -7.652 1.00 0.00 N ATOM 1008 CA ILE A 63 -12.353 14.798 -7.298 1.00 0.00 C ATOM 1009 C ILE A 63 -11.937 15.906 -6.337 1.00 0.00 C ATOM 1010 O ILE A 63 -12.569 16.962 -6.280 1.00 0.00 O ATOM 1011 CB ILE A 63 -13.485 13.975 -6.656 1.00 0.00 C ATOM 1012 CG1 ILE A 63 -14.116 13.041 -7.691 1.00 0.00 C ATOM 1013 CG2 ILE A 63 -14.536 14.897 -6.057 1.00 0.00 C ATOM 1014 CD1 ILE A 63 -15.043 12.009 -7.087 1.00 0.00 C ATOM 0 H ILE A 63 -11.199 13.051 -7.180 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.718 15.242 -8.224 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.063 13.368 -5.855 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -14.671 13.637 -8.416 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.324 12.530 -8.238 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.330 14.300 -5.607 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -14.077 15.525 -5.294 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -14.956 15.527 -6.841 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -15.454 11.382 -7.878 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -14.488 11.388 -6.384 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -15.856 12.512 -6.564 1.00 0.00 H new ATOM 1026 N CYS A 64 -10.870 15.660 -5.585 1.00 0.00 N ATOM 1027 CA CYS A 64 -10.368 16.638 -4.627 1.00 0.00 C ATOM 1028 C CYS A 64 -9.120 17.333 -5.161 1.00 0.00 C ATOM 1029 O CYS A 64 -8.915 18.526 -4.937 1.00 0.00 O ATOM 1030 CB CYS A 64 -10.057 15.961 -3.291 1.00 0.00 C ATOM 1031 SG CYS A 64 -10.262 17.037 -1.853 1.00 0.00 S ATOM 0 H CYS A 64 -10.336 14.792 -5.620 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.142 17.390 -4.474 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -10.705 15.092 -3.177 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.031 15.593 -3.313 1.00 0.00 H new ATOM 0 HG CYS A 64 -9.235 16.910 -1.066 1.00 0.00 H new ATOM 1037 N LYS A 65 -8.286 16.577 -5.868 1.00 0.00 N ATOM 1038 CA LYS A 65 -7.056 17.119 -6.435 1.00 0.00 C ATOM 1039 C LYS A 65 -7.285 18.520 -6.992 1.00 0.00 C ATOM 1040 O LYS A 65 -8.397 18.890 -7.369 1.00 0.00 O ATOM 1041 CB LYS A 65 -6.531 16.198 -7.539 1.00 0.00 C ATOM 1042 CG LYS A 65 -7.047 16.553 -8.923 1.00 0.00 C ATOM 1043 CD LYS A 65 -6.399 15.695 -9.997 1.00 0.00 C ATOM 1044 CE LYS A 65 -4.998 16.183 -10.330 1.00 0.00 C ATOM 1045 NZ LYS A 65 -5.018 17.289 -11.326 1.00 0.00 N ATOM 0 H LYS A 65 -8.439 15.587 -6.062 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.314 17.181 -5.639 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.442 16.237 -7.545 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.812 15.171 -7.308 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.129 16.421 -8.954 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.848 17.605 -9.128 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.354 14.660 -9.659 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.014 15.710 -10.897 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.506 16.524 -9.419 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.408 15.354 -10.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.044 17.594 -11.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.464 16.957 -12.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.560 18.090 -10.944 1.00 0.00 H new ATOM 1059 N PRO A 66 -6.209 19.318 -7.048 1.00 0.00 N ATOM 1060 CA PRO A 66 -4.880 18.888 -6.602 1.00 0.00 C ATOM 1061 C PRO A 66 -4.802 18.725 -5.088 1.00 0.00 C ATOM 1062 O PRO A 66 -3.813 18.217 -4.558 1.00 0.00 O ATOM 1063 CB PRO A 66 -3.965 20.025 -7.065 1.00 0.00 C ATOM 1064 CG PRO A 66 -4.854 21.218 -7.143 1.00 0.00 C ATOM 1065 CD PRO A 66 -6.206 20.702 -7.551 1.00 0.00 C ATOM 0 HA PRO A 66 -4.610 17.913 -7.008 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.147 20.186 -6.363 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.515 19.802 -8.033 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.905 21.730 -6.182 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.477 21.939 -7.868 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.011 21.291 -7.111 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.340 20.737 -8.632 1.00 0.00 H new ATOM 1073 N LYS A 67 -5.850 19.157 -4.396 1.00 0.00 N ATOM 1074 CA LYS A 67 -5.902 19.058 -2.942 1.00 0.00 C ATOM 1075 C LYS A 67 -5.725 17.612 -2.489 1.00 0.00 C ATOM 1076 O LYS A 67 -6.145 16.680 -3.176 1.00 0.00 O ATOM 1077 CB LYS A 67 -7.231 19.608 -2.420 1.00 0.00 C ATOM 1078 CG LYS A 67 -7.276 21.124 -2.349 1.00 0.00 C ATOM 1079 CD LYS A 67 -6.995 21.754 -3.703 1.00 0.00 C ATOM 1080 CE LYS A 67 -7.484 23.194 -3.760 1.00 0.00 C ATOM 1081 NZ LYS A 67 -7.772 23.626 -5.156 1.00 0.00 N ATOM 0 H LYS A 67 -6.676 19.580 -4.819 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.085 19.652 -2.533 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.037 19.259 -3.065 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.418 19.200 -1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.256 21.444 -1.994 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.543 21.477 -1.623 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.924 21.724 -3.904 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.483 21.172 -4.485 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.385 23.296 -3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.731 23.851 -3.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.103 24.612 -5.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.906 23.553 -5.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.509 23.015 -5.563 1.00 0.00 H new ATOM 1095 N TYR A 68 -5.102 17.433 -1.330 1.00 0.00 N ATOM 1096 CA TYR A 68 -4.869 16.100 -0.786 1.00 0.00 C ATOM 1097 C TYR A 68 -6.188 15.377 -0.531 1.00 0.00 C ATOM 1098 O TYR A 68 -7.244 16.003 -0.427 1.00 0.00 O ATOM 1099 CB TYR A 68 -4.065 16.190 0.512 1.00 0.00 C ATOM 1100 CG TYR A 68 -3.838 14.851 1.178 1.00 0.00 C ATOM 1101 CD1 TYR A 68 -4.812 14.281 1.988 1.00 0.00 C ATOM 1102 CD2 TYR A 68 -2.648 14.156 0.997 1.00 0.00 C ATOM 1103 CE1 TYR A 68 -4.609 13.059 2.598 1.00 0.00 C ATOM 1104 CE2 TYR A 68 -2.437 12.933 1.602 1.00 0.00 C ATOM 1105 CZ TYR A 68 -3.420 12.388 2.402 1.00 0.00 C ATOM 1106 OH TYR A 68 -3.212 11.170 3.007 1.00 0.00 O ATOM 0 H TYR A 68 -4.749 18.194 -0.749 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.299 15.530 -1.520 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.099 16.649 0.300 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.586 16.849 1.207 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -5.745 14.803 2.143 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -1.875 14.580 0.373 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.377 12.631 3.225 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.507 12.406 1.450 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.274 10.907 2.899 1.00 0.00 H new ATOM 1116 N LEU A 69 -6.120 14.054 -0.432 1.00 0.00 N ATOM 1117 CA LEU A 69 -7.308 13.243 -0.189 1.00 0.00 C ATOM 1118 C LEU A 69 -7.066 12.247 0.941 1.00 0.00 C ATOM 1119 O LEU A 69 -6.041 11.567 0.974 1.00 0.00 O ATOM 1120 CB LEU A 69 -7.711 12.498 -1.462 1.00 0.00 C ATOM 1121 CG LEU A 69 -8.713 11.357 -1.284 1.00 0.00 C ATOM 1122 CD1 LEU A 69 -10.138 11.876 -1.400 1.00 0.00 C ATOM 1123 CD2 LEU A 69 -8.459 10.259 -2.307 1.00 0.00 C ATOM 0 H LEU A 69 -5.255 13.520 -0.516 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.118 13.910 0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.133 13.219 -2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.810 12.094 -1.923 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.581 10.935 -0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.838 11.050 -1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.316 12.626 -0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.283 12.324 -2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.182 9.455 -2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.563 10.667 -3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.450 9.867 -2.177 1.00 0.00 H new ATOM 1135 N ASN A 70 -8.018 12.166 1.866 1.00 0.00 N ATOM 1136 CA ASN A 70 -7.908 11.252 2.997 1.00 0.00 C ATOM 1137 C ASN A 70 -8.521 9.896 2.662 1.00 0.00 C ATOM 1138 O ASN A 70 -9.351 9.783 1.759 1.00 0.00 O ATOM 1139 CB ASN A 70 -8.597 11.846 4.227 1.00 0.00 C ATOM 1140 CG ASN A 70 -8.049 13.211 4.595 1.00 0.00 C ATOM 1141 OD1 ASN A 70 -8.009 14.120 3.767 1.00 0.00 O ATOM 1142 ND2 ASN A 70 -7.621 13.359 5.844 1.00 0.00 N ATOM 0 H ASN A 70 -8.873 12.722 1.854 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.850 11.108 3.215 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.667 11.927 4.037 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.474 11.168 5.072 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.240 14.254 6.150 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.673 12.577 6.497 1.00 0.00 H new ATOM 1149 N LYS A 71 -8.108 8.868 3.396 1.00 0.00 N ATOM 1150 CA LYS A 71 -8.616 7.519 3.179 1.00 0.00 C ATOM 1151 C LYS A 71 -9.970 7.333 3.856 1.00 0.00 C ATOM 1152 O LYS A 71 -10.708 6.397 3.546 1.00 0.00 O ATOM 1153 CB LYS A 71 -7.622 6.485 3.711 1.00 0.00 C ATOM 1154 CG LYS A 71 -7.702 6.281 5.214 1.00 0.00 C ATOM 1155 CD LYS A 71 -6.916 5.057 5.654 1.00 0.00 C ATOM 1156 CE LYS A 71 -7.284 4.637 7.069 1.00 0.00 C ATOM 1157 NZ LYS A 71 -8.713 4.230 7.173 1.00 0.00 N ATOM 0 H LYS A 71 -7.422 8.944 4.147 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.742 7.373 2.106 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.801 5.532 3.213 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.611 6.797 3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.316 7.164 5.723 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.745 6.171 5.512 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.109 4.233 4.967 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.848 5.271 5.603 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.647 3.809 7.379 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.091 5.462 7.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.860 3.703 8.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.316 5.077 7.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.961 3.625 6.364 1.00 0.00 H new ATOM 1171 N THR A 72 -10.293 8.231 4.782 1.00 0.00 N ATOM 1172 CA THR A 72 -11.558 8.165 5.503 1.00 0.00 C ATOM 1173 C THR A 72 -12.675 8.840 4.715 1.00 0.00 C ATOM 1174 O THR A 72 -13.843 8.778 5.098 1.00 0.00 O ATOM 1175 CB THR A 72 -11.450 8.828 6.889 1.00 0.00 C ATOM 1176 OG1 THR A 72 -10.173 8.543 7.470 1.00 0.00 O ATOM 1177 CG2 THR A 72 -12.554 8.335 7.812 1.00 0.00 C ATOM 0 H THR A 72 -9.695 9.013 5.050 1.00 0.00 H new ATOM 0 HA THR A 72 -11.794 7.109 5.631 1.00 0.00 H new ATOM 0 HB THR A 72 -11.559 9.905 6.762 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.112 8.969 8.350 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.457 8.817 8.785 1.00 0.00 H new ATOM 0 HG22 THR A 72 -13.525 8.579 7.381 1.00 0.00 H new ATOM 0 HG23 THR A 72 -12.472 7.255 7.933 1.00 0.00 H new ATOM 1185 N SER A 73 -12.308 9.485 3.612 1.00 0.00 N ATOM 1186 CA SER A 73 -13.280 10.175 2.771 1.00 0.00 C ATOM 1187 C SER A 73 -14.157 9.176 2.023 1.00 0.00 C ATOM 1188 O SER A 73 -15.373 9.344 1.934 1.00 0.00 O ATOM 1189 CB SER A 73 -12.566 11.090 1.775 1.00 0.00 C ATOM 1190 OG SER A 73 -13.462 11.567 0.787 1.00 0.00 O ATOM 0 H SER A 73 -11.345 9.544 3.280 1.00 0.00 H new ATOM 0 HA SER A 73 -13.917 10.780 3.416 1.00 0.00 H new ATOM 0 HB2 SER A 73 -12.122 11.933 2.305 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.750 10.547 1.298 1.00 0.00 H new ATOM 0 HG SER A 73 -12.981 12.151 0.164 1.00 0.00 H new ATOM 1196 N VAL A 74 -13.530 8.135 1.485 1.00 0.00 N ATOM 1197 CA VAL A 74 -14.252 7.107 0.744 1.00 0.00 C ATOM 1198 C VAL A 74 -14.945 6.132 1.690 1.00 0.00 C ATOM 1199 O VAL A 74 -15.591 5.180 1.253 1.00 0.00 O ATOM 1200 CB VAL A 74 -13.310 6.320 -0.187 1.00 0.00 C ATOM 1201 CG1 VAL A 74 -12.459 7.271 -1.013 1.00 0.00 C ATOM 1202 CG2 VAL A 74 -12.436 5.371 0.619 1.00 0.00 C ATOM 0 H VAL A 74 -12.524 7.981 1.548 1.00 0.00 H new ATOM 0 HA VAL A 74 -15.002 7.619 0.141 1.00 0.00 H new ATOM 0 HB VAL A 74 -13.916 5.726 -0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.800 6.697 -1.664 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -13.106 7.905 -1.619 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.860 7.894 -0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -11.777 4.823 -0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -11.837 5.942 1.328 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -13.067 4.667 1.161 1.00 0.00 H new ATOM 1212 N ARG A 75 -14.806 6.377 2.989 1.00 0.00 N ATOM 1213 CA ARG A 75 -15.418 5.521 3.998 1.00 0.00 C ATOM 1214 C ARG A 75 -16.820 5.095 3.571 1.00 0.00 C ATOM 1215 O ARG A 75 -17.117 3.910 3.422 1.00 0.00 O ATOM 1216 CB ARG A 75 -15.480 6.246 5.343 1.00 0.00 C ATOM 1217 CG ARG A 75 -14.292 5.959 6.246 1.00 0.00 C ATOM 1218 CD ARG A 75 -14.453 4.634 6.974 1.00 0.00 C ATOM 1219 NE ARG A 75 -15.643 4.615 7.821 1.00 0.00 N ATOM 1220 CZ ARG A 75 -16.833 4.194 7.406 1.00 0.00 C ATOM 1221 NH1 ARG A 75 -16.990 3.758 6.164 1.00 0.00 N ATOM 1222 NH2 ARG A 75 -17.868 4.208 8.236 1.00 0.00 N ATOM 0 H ARG A 75 -14.275 7.161 3.367 1.00 0.00 H new ATOM 0 HA ARG A 75 -14.802 4.628 4.103 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -15.539 7.320 5.165 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.396 5.958 5.859 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.378 5.940 5.652 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.183 6.764 6.973 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.514 3.825 6.246 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.570 4.447 7.585 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.556 4.943 8.783 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -16.196 3.745 5.524 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -17.905 3.435 5.849 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.750 4.542 9.193 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.782 3.885 7.918 1.00 0.00 H new ATOM 1236 N PRO A 76 -17.703 6.084 3.371 1.00 0.00 N ATOM 1237 CA PRO A 76 -19.088 5.837 2.959 1.00 0.00 C ATOM 1238 C PRO A 76 -19.185 5.328 1.525 1.00 0.00 C ATOM 1239 O PRO A 76 -19.169 6.110 0.576 1.00 0.00 O ATOM 1240 CB PRO A 76 -19.747 7.213 3.084 1.00 0.00 C ATOM 1241 CG PRO A 76 -18.627 8.184 2.930 1.00 0.00 C ATOM 1242 CD PRO A 76 -17.418 7.520 3.530 1.00 0.00 C ATOM 0 HA PRO A 76 -19.562 5.066 3.566 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -20.507 7.360 2.316 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -20.242 7.329 4.048 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -18.460 8.424 1.880 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -18.850 9.121 3.439 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -16.503 7.808 3.012 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -17.290 7.791 4.578 1.00 0.00 H new ATOM 1250 N GLY A 77 -19.285 4.010 1.375 1.00 0.00 N ATOM 1251 CA GLY A 77 -19.383 3.420 0.053 1.00 0.00 C ATOM 1252 C GLY A 77 -19.037 1.944 0.050 1.00 0.00 C ATOM 1253 O GLY A 77 -19.801 1.121 -0.456 1.00 0.00 O ATOM 0 H GLY A 77 -19.300 3.341 2.145 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -20.396 3.553 -0.327 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -18.715 3.948 -0.628 1.00 0.00 H new ATOM 1257 N LEU A 78 -17.883 1.608 0.615 1.00 0.00 N ATOM 1258 CA LEU A 78 -17.436 0.220 0.675 1.00 0.00 C ATOM 1259 C LEU A 78 -17.681 -0.372 2.059 1.00 0.00 C ATOM 1260 O LEU A 78 -16.740 -0.682 2.789 1.00 0.00 O ATOM 1261 CB LEU A 78 -15.950 0.127 0.324 1.00 0.00 C ATOM 1262 CG LEU A 78 -15.489 0.963 -0.870 1.00 0.00 C ATOM 1263 CD1 LEU A 78 -13.972 1.068 -0.895 1.00 0.00 C ATOM 1264 CD2 LEU A 78 -16.005 0.366 -2.171 1.00 0.00 C ATOM 0 H LEU A 78 -17.240 2.277 1.038 1.00 0.00 H new ATOM 0 HA LEU A 78 -18.012 -0.353 -0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -15.371 0.428 1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.709 -0.917 0.126 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.901 1.967 -0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -13.663 1.667 -1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.625 1.542 0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.540 0.071 -0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -15.667 0.974 -3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.624 -0.649 -2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -17.095 0.344 -2.154 1.00 0.00 H new ATOM 1276 N LYS A 79 -18.952 -0.528 2.413 1.00 0.00 N ATOM 1277 CA LYS A 79 -19.323 -1.087 3.708 1.00 0.00 C ATOM 1278 C LYS A 79 -19.483 -2.601 3.622 1.00 0.00 C ATOM 1279 O LYS A 79 -18.931 -3.340 4.436 1.00 0.00 O ATOM 1280 CB LYS A 79 -20.624 -0.453 4.206 1.00 0.00 C ATOM 1281 CG LYS A 79 -20.411 0.796 5.043 1.00 0.00 C ATOM 1282 CD LYS A 79 -21.684 1.210 5.762 1.00 0.00 C ATOM 1283 CE LYS A 79 -21.923 0.364 7.004 1.00 0.00 C ATOM 1284 NZ LYS A 79 -23.250 0.643 7.618 1.00 0.00 N ATOM 0 H LYS A 79 -19.743 -0.275 1.821 1.00 0.00 H new ATOM 0 HA LYS A 79 -18.523 -0.864 4.414 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -21.248 -0.203 3.348 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -21.173 -1.187 4.796 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -19.622 0.615 5.773 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -20.072 1.611 4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -21.619 2.261 6.043 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -22.533 1.113 5.086 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -21.859 -0.692 6.742 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -21.137 0.560 7.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -23.375 0.047 8.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -23.302 1.645 7.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -24.002 0.432 6.931 1.00 0.00 H new ATOM 1298 N ASN A 80 -20.241 -3.056 2.630 1.00 0.00 N ATOM 1299 CA ASN A 80 -20.473 -4.483 2.437 1.00 0.00 C ATOM 1300 C ASN A 80 -19.239 -5.159 1.847 1.00 0.00 C ATOM 1301 O ASN A 80 -18.809 -6.211 2.322 1.00 0.00 O ATOM 1302 CB ASN A 80 -21.678 -4.706 1.521 1.00 0.00 C ATOM 1303 CG ASN A 80 -22.976 -4.233 2.146 1.00 0.00 C ATOM 1304 OD1 ASN A 80 -23.570 -4.928 2.971 1.00 0.00 O ATOM 1305 ND2 ASN A 80 -23.422 -3.044 1.756 1.00 0.00 N ATOM 0 H ASN A 80 -20.705 -2.457 1.947 1.00 0.00 H new ATOM 0 HA ASN A 80 -20.679 -4.928 3.411 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -21.518 -4.179 0.580 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -21.758 -5.767 1.283 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -24.290 -2.673 2.143 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -22.897 -2.502 1.070 1.00 0.00 H new ATOM 1312 N CYS A 81 -18.675 -4.549 0.811 1.00 0.00 N ATOM 1313 CA CYS A 81 -17.490 -5.092 0.156 1.00 0.00 C ATOM 1314 C CYS A 81 -16.217 -4.562 0.808 1.00 0.00 C ATOM 1315 O CYS A 81 -15.818 -3.421 0.579 1.00 0.00 O ATOM 1316 CB CYS A 81 -17.499 -4.741 -1.332 1.00 0.00 C ATOM 1317 SG CYS A 81 -18.653 -5.726 -2.316 1.00 0.00 S ATOM 0 H CYS A 81 -19.019 -3.678 0.406 1.00 0.00 H new ATOM 0 HA CYS A 81 -17.509 -6.176 0.267 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -17.751 -3.686 -1.444 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -16.493 -4.873 -1.731 1.00 0.00 H new ATOM 0 HG CYS A 81 -18.590 -5.354 -3.560 1.00 0.00 H new ATOM 1323 N GLY A 82 -15.584 -5.399 1.625 1.00 0.00 N ATOM 1324 CA GLY A 82 -14.364 -4.997 2.300 1.00 0.00 C ATOM 1325 C GLY A 82 -14.613 -3.964 3.381 1.00 0.00 C ATOM 1326 O GLY A 82 -15.664 -3.324 3.407 1.00 0.00 O ATOM 0 H GLY A 82 -15.895 -6.348 1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.891 -5.874 2.742 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.664 -4.592 1.569 1.00 0.00 H new ATOM 1330 N ASP A 83 -13.646 -3.803 4.277 1.00 0.00 N ATOM 1331 CA ASP A 83 -13.765 -2.842 5.367 1.00 0.00 C ATOM 1332 C ASP A 83 -12.525 -1.957 5.449 1.00 0.00 C ATOM 1333 O ASP A 83 -11.587 -2.110 4.667 1.00 0.00 O ATOM 1334 CB ASP A 83 -13.977 -3.569 6.696 1.00 0.00 C ATOM 1335 CG ASP A 83 -15.134 -4.547 6.643 1.00 0.00 C ATOM 1336 OD1 ASP A 83 -15.026 -5.554 5.911 1.00 0.00 O ATOM 1337 OD2 ASP A 83 -16.148 -4.306 7.332 1.00 0.00 O ATOM 0 H ASP A 83 -12.770 -4.326 4.270 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.629 -2.208 5.167 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -13.065 -4.103 6.964 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -14.160 -2.837 7.482 1.00 0.00 H new ATOM 1342 N VAL A 84 -12.529 -1.029 6.402 1.00 0.00 N ATOM 1343 CA VAL A 84 -11.404 -0.120 6.586 1.00 0.00 C ATOM 1344 C VAL A 84 -10.088 -0.883 6.678 1.00 0.00 C ATOM 1345 O VAL A 84 -9.023 -0.341 6.390 1.00 0.00 O ATOM 1346 CB VAL A 84 -11.578 0.737 7.855 1.00 0.00 C ATOM 1347 CG1 VAL A 84 -11.526 -0.136 9.100 1.00 0.00 C ATOM 1348 CG2 VAL A 84 -10.516 1.825 7.912 1.00 0.00 C ATOM 0 H VAL A 84 -13.298 -0.888 7.057 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.380 0.534 5.714 1.00 0.00 H new ATOM 0 HB VAL A 84 -12.556 1.217 7.818 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -11.651 0.486 9.986 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -12.326 -0.875 9.060 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.564 -0.646 9.147 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.654 2.421 8.814 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.527 1.367 7.927 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -10.606 2.467 7.036 1.00 0.00 H new ATOM 1358 N ASN A 85 -10.171 -2.147 7.082 1.00 0.00 N ATOM 1359 CA ASN A 85 -8.986 -2.987 7.212 1.00 0.00 C ATOM 1360 C ASN A 85 -8.220 -3.056 5.894 1.00 0.00 C ATOM 1361 O ASN A 85 -7.061 -2.647 5.816 1.00 0.00 O ATOM 1362 CB ASN A 85 -9.380 -4.396 7.661 1.00 0.00 C ATOM 1363 CG ASN A 85 -9.854 -4.433 9.100 1.00 0.00 C ATOM 1364 OD1 ASN A 85 -10.843 -3.792 9.457 1.00 0.00 O ATOM 1365 ND2 ASN A 85 -9.149 -5.185 9.937 1.00 0.00 N ATOM 0 H ASN A 85 -11.046 -2.611 7.325 1.00 0.00 H new ATOM 0 HA ASN A 85 -8.337 -2.541 7.966 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -10.170 -4.774 7.012 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -8.526 -5.063 7.545 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.420 -5.248 10.918 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.336 -5.700 9.599 1.00 0.00 H new ATOM 1372 N CYS A 86 -8.876 -3.575 4.863 1.00 0.00 N ATOM 1373 CA CYS A 86 -8.258 -3.698 3.547 1.00 0.00 C ATOM 1374 C CYS A 86 -8.141 -2.336 2.872 1.00 0.00 C ATOM 1375 O CYS A 86 -7.089 -1.986 2.336 1.00 0.00 O ATOM 1376 CB CYS A 86 -9.069 -4.650 2.666 1.00 0.00 C ATOM 1377 SG CYS A 86 -10.824 -4.229 2.546 1.00 0.00 S ATOM 0 H CYS A 86 -9.836 -3.918 4.912 1.00 0.00 H new ATOM 0 HA CYS A 86 -7.255 -4.104 3.680 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -8.639 -4.657 1.665 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -8.975 -5.662 3.060 1.00 0.00 H new ATOM 0 HG CYS A 86 -11.158 -3.472 3.549 1.00 0.00 H new ATOM 1383 N ILE A 87 -9.228 -1.572 2.900 1.00 0.00 N ATOM 1384 CA ILE A 87 -9.248 -0.248 2.290 1.00 0.00 C ATOM 1385 C ILE A 87 -7.943 0.496 2.550 1.00 0.00 C ATOM 1386 O ILE A 87 -7.258 0.915 1.618 1.00 0.00 O ATOM 1387 CB ILE A 87 -10.422 0.597 2.817 1.00 0.00 C ATOM 1388 CG1 ILE A 87 -11.748 0.068 2.267 1.00 0.00 C ATOM 1389 CG2 ILE A 87 -10.232 2.059 2.440 1.00 0.00 C ATOM 1390 CD1 ILE A 87 -12.945 0.444 3.111 1.00 0.00 C ATOM 0 H ILE A 87 -10.107 -1.847 3.339 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.371 -0.396 1.217 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.446 0.521 3.904 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -11.891 0.451 1.257 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.693 -1.018 2.192 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -11.070 2.644 2.819 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.304 2.429 2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -10.186 2.152 1.355 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -13.850 0.036 2.661 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -12.824 0.038 4.115 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -13.025 1.530 3.166 1.00 0.00 H new ATOM 1402 N GLY A 88 -7.602 0.655 3.826 1.00 0.00 N ATOM 1403 CA GLY A 88 -6.379 1.347 4.186 1.00 0.00 C ATOM 1404 C GLY A 88 -5.190 0.889 3.365 1.00 0.00 C ATOM 1405 O GLY A 88 -4.474 1.707 2.788 1.00 0.00 O ATOM 0 H GLY A 88 -8.151 0.317 4.616 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.519 2.419 4.050 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -6.171 1.184 5.243 1.00 0.00 H new ATOM 1409 N ARG A 89 -4.978 -0.422 3.315 1.00 0.00 N ATOM 1410 CA ARG A 89 -3.865 -0.987 2.561 1.00 0.00 C ATOM 1411 C ARG A 89 -3.811 -0.403 1.152 1.00 0.00 C ATOM 1412 O ARG A 89 -2.746 -0.010 0.673 1.00 0.00 O ATOM 1413 CB ARG A 89 -3.992 -2.510 2.489 1.00 0.00 C ATOM 1414 CG ARG A 89 -3.719 -3.207 3.812 1.00 0.00 C ATOM 1415 CD ARG A 89 -3.359 -4.670 3.607 1.00 0.00 C ATOM 1416 NE ARG A 89 -2.944 -5.311 4.852 1.00 0.00 N ATOM 1417 CZ ARG A 89 -3.797 -5.762 5.766 1.00 0.00 C ATOM 1418 NH1 ARG A 89 -5.103 -5.642 5.574 1.00 0.00 N ATOM 1419 NH2 ARG A 89 -3.343 -6.334 6.873 1.00 0.00 N ATOM 0 H ARG A 89 -5.562 -1.112 3.787 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.940 -0.730 3.078 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.997 -2.767 2.153 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.298 -2.889 1.738 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -2.905 -2.700 4.330 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.599 -3.134 4.451 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.218 -5.200 3.195 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.555 -4.746 2.874 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.945 -5.418 5.030 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -5.455 -5.203 4.723 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.756 -5.989 6.277 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.339 -6.428 7.023 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.998 -6.680 7.574 1.00 0.00 H new ATOM 1433 N ILE A 90 -4.964 -0.351 0.494 1.00 0.00 N ATOM 1434 CA ILE A 90 -5.047 0.185 -0.859 1.00 0.00 C ATOM 1435 C ILE A 90 -4.690 1.667 -0.886 1.00 0.00 C ATOM 1436 O ILE A 90 -3.711 2.070 -1.515 1.00 0.00 O ATOM 1437 CB ILE A 90 -6.455 -0.004 -1.454 1.00 0.00 C ATOM 1438 CG1 ILE A 90 -6.960 -1.423 -1.185 1.00 0.00 C ATOM 1439 CG2 ILE A 90 -6.443 0.286 -2.947 1.00 0.00 C ATOM 1440 CD1 ILE A 90 -8.253 -1.749 -1.900 1.00 0.00 C ATOM 0 H ILE A 90 -5.853 -0.673 0.876 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.329 -0.370 -1.463 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.134 0.700 -0.973 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.195 -2.137 -1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.105 -1.551 -0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.445 0.148 -3.353 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.122 1.314 -3.115 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.753 -0.396 -3.445 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.552 -2.770 -1.664 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -9.032 -1.059 -1.576 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.108 -1.653 -2.976 1.00 0.00 H new ATOM 1452 N HIS A 91 -5.490 2.475 -0.198 1.00 0.00 N ATOM 1453 CA HIS A 91 -5.257 3.914 -0.140 1.00 0.00 C ATOM 1454 C HIS A 91 -3.787 4.216 0.136 1.00 0.00 C ATOM 1455 O HIS A 91 -3.132 4.923 -0.631 1.00 0.00 O ATOM 1456 CB HIS A 91 -6.132 4.551 0.939 1.00 0.00 C ATOM 1457 CG HIS A 91 -6.309 6.029 0.772 1.00 0.00 C ATOM 1458 ND1 HIS A 91 -5.329 6.945 1.092 1.00 0.00 N ATOM 1459 CD2 HIS A 91 -7.360 6.749 0.315 1.00 0.00 C ATOM 1460 CE1 HIS A 91 -5.770 8.164 0.839 1.00 0.00 C ATOM 1461 NE2 HIS A 91 -7.000 8.073 0.367 1.00 0.00 N ATOM 0 H HIS A 91 -6.305 2.158 0.327 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.521 4.339 -1.108 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -7.111 4.073 0.930 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.690 4.354 1.916 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.306 6.355 -0.027 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -5.218 9.080 0.992 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -7.587 8.859 0.087 1.00 0.00 H new ATOM 1469 N THR A 92 -3.274 3.677 1.237 1.00 0.00 N ATOM 1470 CA THR A 92 -1.883 3.890 1.616 1.00 0.00 C ATOM 1471 C THR A 92 -0.949 3.651 0.436 1.00 0.00 C ATOM 1472 O THR A 92 -0.338 4.585 -0.084 1.00 0.00 O ATOM 1473 CB THR A 92 -1.470 2.967 2.778 1.00 0.00 C ATOM 1474 OG1 THR A 92 -2.340 3.169 3.898 1.00 0.00 O ATOM 1475 CG2 THR A 92 -0.030 3.232 3.194 1.00 0.00 C ATOM 0 H THR A 92 -3.801 3.089 1.882 1.00 0.00 H new ATOM 0 HA THR A 92 -1.799 4.928 1.938 1.00 0.00 H new ATOM 0 HB THR A 92 -1.550 1.934 2.438 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.192 2.712 3.737 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.239 2.569 4.016 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.633 3.049 2.348 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.071 4.268 3.516 1.00 0.00 H new ATOM 1483 N TYR A 93 -0.843 2.395 0.016 1.00 0.00 N ATOM 1484 CA TYR A 93 0.019 2.033 -1.103 1.00 0.00 C ATOM 1485 C TYR A 93 -0.045 3.088 -2.203 1.00 0.00 C ATOM 1486 O TYR A 93 0.928 3.801 -2.453 1.00 0.00 O ATOM 1487 CB TYR A 93 -0.385 0.669 -1.665 1.00 0.00 C ATOM 1488 CG TYR A 93 0.243 0.356 -3.004 1.00 0.00 C ATOM 1489 CD1 TYR A 93 1.619 0.425 -3.181 1.00 0.00 C ATOM 1490 CD2 TYR A 93 -0.540 -0.009 -4.092 1.00 0.00 C ATOM 1491 CE1 TYR A 93 2.197 0.141 -4.403 1.00 0.00 C ATOM 1492 CE2 TYR A 93 0.030 -0.297 -5.317 1.00 0.00 C ATOM 1493 CZ TYR A 93 1.398 -0.220 -5.468 1.00 0.00 C ATOM 1494 OH TYR A 93 1.969 -0.505 -6.687 1.00 0.00 O ATOM 0 H TYR A 93 -1.343 1.610 0.434 1.00 0.00 H new ATOM 0 HA TYR A 93 1.044 1.978 -0.736 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -0.105 -0.106 -0.952 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.470 0.633 -1.765 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.248 0.706 -2.349 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.612 -0.069 -3.978 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.269 0.201 -4.524 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -0.593 -0.581 -6.152 1.00 0.00 H new ATOM 0 HH TYR A 93 2.555 -1.286 -6.599 1.00 0.00 H new ATOM 1504 N LEU A 94 -1.197 3.182 -2.857 1.00 0.00 N ATOM 1505 CA LEU A 94 -1.391 4.150 -3.931 1.00 0.00 C ATOM 1506 C LEU A 94 -0.781 5.499 -3.564 1.00 0.00 C ATOM 1507 O LEU A 94 -0.327 6.242 -4.434 1.00 0.00 O ATOM 1508 CB LEU A 94 -2.882 4.316 -4.231 1.00 0.00 C ATOM 1509 CG LEU A 94 -3.630 3.047 -4.641 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -5.093 3.136 -4.237 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -3.501 2.812 -6.139 1.00 0.00 C ATOM 0 H LEU A 94 -2.011 2.600 -2.662 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.887 3.774 -4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.366 4.729 -3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.992 5.052 -5.028 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.182 2.200 -4.121 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.609 2.224 -4.537 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.165 3.255 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.555 3.993 -4.728 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.039 1.905 -6.413 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.922 3.661 -6.678 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.449 2.702 -6.401 1.00 0.00 H new ATOM 1523 N GLU A 95 -0.772 5.807 -2.271 1.00 0.00 N ATOM 1524 CA GLU A 95 -0.216 7.066 -1.790 1.00 0.00 C ATOM 1525 C GLU A 95 1.307 7.000 -1.728 1.00 0.00 C ATOM 1526 O GLU A 95 1.994 7.992 -1.976 1.00 0.00 O ATOM 1527 CB GLU A 95 -0.780 7.404 -0.408 1.00 0.00 C ATOM 1528 CG GLU A 95 -0.562 8.851 0.001 1.00 0.00 C ATOM 1529 CD GLU A 95 -1.326 9.223 1.257 1.00 0.00 C ATOM 1530 OE1 GLU A 95 -2.251 8.474 1.633 1.00 0.00 O ATOM 1531 OE2 GLU A 95 -0.998 10.265 1.863 1.00 0.00 O ATOM 0 H GLU A 95 -1.143 5.202 -1.538 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.500 7.850 -2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.849 7.190 -0.399 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.318 6.752 0.333 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.502 9.023 0.163 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.870 9.506 -0.814 1.00 0.00 H new ATOM 1538 N LEU A 96 1.829 5.825 -1.394 1.00 0.00 N ATOM 1539 CA LEU A 96 3.271 5.627 -1.298 1.00 0.00 C ATOM 1540 C LEU A 96 3.916 5.643 -2.680 1.00 0.00 C ATOM 1541 O LEU A 96 5.074 6.033 -2.831 1.00 0.00 O ATOM 1542 CB LEU A 96 3.579 4.305 -0.594 1.00 0.00 C ATOM 1543 CG LEU A 96 2.859 4.068 0.734 1.00 0.00 C ATOM 1544 CD1 LEU A 96 3.133 2.663 1.247 1.00 0.00 C ATOM 1545 CD2 LEU A 96 3.284 5.105 1.763 1.00 0.00 C ATOM 0 H LEU A 96 1.275 4.995 -1.185 1.00 0.00 H new ATOM 0 HA LEU A 96 3.687 6.448 -0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.328 3.489 -1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.653 4.253 -0.416 1.00 0.00 H new ATOM 0 HG LEU A 96 1.787 4.169 0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.612 2.513 2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.779 1.934 0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.205 2.533 1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.762 4.921 2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.359 5.036 1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.036 6.102 1.399 1.00 0.00 H new ATOM 1557 N ILE A 97 3.158 5.218 -3.686 1.00 0.00 N ATOM 1558 CA ILE A 97 3.655 5.186 -5.056 1.00 0.00 C ATOM 1559 C ILE A 97 3.436 6.526 -5.751 1.00 0.00 C ATOM 1560 O ILE A 97 4.054 6.814 -6.775 1.00 0.00 O ATOM 1561 CB ILE A 97 2.972 4.077 -5.877 1.00 0.00 C ATOM 1562 CG1 ILE A 97 1.463 4.078 -5.620 1.00 0.00 C ATOM 1563 CG2 ILE A 97 3.572 2.721 -5.538 1.00 0.00 C ATOM 1564 CD1 ILE A 97 0.680 3.256 -6.619 1.00 0.00 C ATOM 0 H ILE A 97 2.198 4.891 -3.578 1.00 0.00 H new ATOM 0 HA ILE A 97 4.724 4.979 -5.000 1.00 0.00 H new ATOM 0 HB ILE A 97 3.141 4.272 -6.936 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.273 3.694 -4.618 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.099 5.105 -5.642 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.079 1.947 -6.126 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.638 2.727 -5.767 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.430 2.515 -4.477 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.381 3.302 -6.376 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.840 3.653 -7.622 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.016 2.220 -6.581 1.00 0.00 H new ATOM 1576 N GLY A 98 2.554 7.344 -5.185 1.00 0.00 N ATOM 1577 CA GLY A 98 2.270 8.644 -5.762 1.00 0.00 C ATOM 1578 C GLY A 98 0.956 8.670 -6.516 1.00 0.00 C ATOM 1579 O GLY A 98 0.357 9.730 -6.698 1.00 0.00 O ATOM 0 H GLY A 98 2.031 7.129 -4.336 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.245 9.392 -4.970 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.079 8.922 -6.438 1.00 0.00 H new ATOM 1583 N ALA A 99 0.506 7.500 -6.958 1.00 0.00 N ATOM 1584 CA ALA A 99 -0.746 7.393 -7.696 1.00 0.00 C ATOM 1585 C ALA A 99 -1.781 8.382 -7.170 1.00 0.00 C ATOM 1586 O ALA A 99 -2.572 8.932 -7.936 1.00 0.00 O ATOM 1587 CB ALA A 99 -1.285 5.972 -7.618 1.00 0.00 C ATOM 0 H ALA A 99 0.990 6.613 -6.818 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.545 7.638 -8.739 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.220 5.907 -8.174 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.558 5.283 -8.049 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.463 5.707 -6.576 1.00 0.00 H new ATOM 1593 N ILE A 100 -1.768 8.603 -5.860 1.00 0.00 N ATOM 1594 CA ILE A 100 -2.705 9.526 -5.232 1.00 0.00 C ATOM 1595 C ILE A 100 -2.010 10.386 -4.182 1.00 0.00 C ATOM 1596 O ILE A 100 -1.060 9.946 -3.536 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.877 8.777 -4.572 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -3.352 7.743 -3.573 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -4.742 8.107 -5.630 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -4.404 7.251 -2.603 1.00 0.00 C ATOM 0 H ILE A 100 -1.119 8.155 -5.213 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.094 10.167 -6.023 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.491 9.498 -4.032 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.949 6.892 -4.122 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.527 8.180 -3.011 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.566 7.582 -5.147 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.140 8.863 -6.307 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.140 7.396 -6.195 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.961 6.521 -1.925 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.791 8.092 -2.028 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.219 6.785 -3.156 1.00 0.00 H new ATOM 1612 N ASN A 101 -2.492 11.613 -4.016 1.00 0.00 N ATOM 1613 CA ASN A 101 -1.917 12.535 -3.043 1.00 0.00 C ATOM 1614 C ASN A 101 -0.399 12.595 -3.181 1.00 0.00 C ATOM 1615 O ASN A 101 0.327 12.562 -2.187 1.00 0.00 O ATOM 1616 CB ASN A 101 -2.295 12.110 -1.622 1.00 0.00 C ATOM 1617 CG ASN A 101 -3.738 11.653 -1.520 1.00 0.00 C ATOM 1618 OD1 ASN A 101 -4.603 12.121 -2.260 1.00 0.00 O ATOM 1619 ND2 ASN A 101 -4.003 10.733 -0.600 1.00 0.00 N ATOM 0 H ASN A 101 -3.279 11.992 -4.542 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.321 13.528 -3.238 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.637 11.303 -1.300 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -2.132 12.945 -0.940 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -4.955 10.386 -0.485 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -3.254 10.373 -0.008 1.00 0.00 H new ATOM 1626 N PHE A 102 0.074 12.683 -4.419 1.00 0.00 N ATOM 1627 CA PHE A 102 1.506 12.747 -4.688 1.00 0.00 C ATOM 1628 C PHE A 102 2.112 14.020 -4.105 1.00 0.00 C ATOM 1629 O PHE A 102 1.525 15.098 -4.194 1.00 0.00 O ATOM 1630 CB PHE A 102 1.767 12.688 -6.195 1.00 0.00 C ATOM 1631 CG PHE A 102 3.192 12.979 -6.568 1.00 0.00 C ATOM 1632 CD1 PHE A 102 4.195 12.063 -6.293 1.00 0.00 C ATOM 1633 CD2 PHE A 102 3.530 14.168 -7.194 1.00 0.00 C ATOM 1634 CE1 PHE A 102 5.508 12.327 -6.635 1.00 0.00 C ATOM 1635 CE2 PHE A 102 4.841 14.437 -7.539 1.00 0.00 C ATOM 1636 CZ PHE A 102 5.831 13.516 -7.258 1.00 0.00 C ATOM 0 H PHE A 102 -0.513 12.712 -5.253 1.00 0.00 H new ATOM 0 HA PHE A 102 1.979 11.889 -4.211 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.498 11.698 -6.564 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.115 13.403 -6.697 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.948 11.132 -5.806 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.760 14.893 -7.415 1.00 0.00 H new ATOM 0 HE1 PHE A 102 6.280 11.604 -6.415 1.00 0.00 H new ATOM 0 HE2 PHE A 102 5.091 15.367 -8.028 1.00 0.00 H new ATOM 0 HZ PHE A 102 6.856 13.726 -7.525 1.00 0.00 H new ATOM 1646 N GLY A 103 3.292 13.886 -3.506 1.00 0.00 N ATOM 1647 CA GLY A 103 3.959 15.033 -2.917 1.00 0.00 C ATOM 1648 C GLY A 103 3.009 15.914 -2.130 1.00 0.00 C ATOM 1649 O GLY A 103 2.505 16.912 -2.648 1.00 0.00 O ATOM 0 H GLY A 103 3.797 13.004 -3.418 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.758 14.688 -2.261 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.427 15.622 -3.706 1.00 0.00 H new ATOM 1653 N CYS A 104 2.762 15.546 -0.878 1.00 0.00 N ATOM 1654 CA CYS A 104 1.864 16.309 -0.019 1.00 0.00 C ATOM 1655 C CYS A 104 2.324 16.254 1.434 1.00 0.00 C ATOM 1656 O CYS A 104 2.378 15.182 2.037 1.00 0.00 O ATOM 1657 CB CYS A 104 0.436 15.775 -0.136 1.00 0.00 C ATOM 1658 SG CYS A 104 -0.426 16.293 -1.639 1.00 0.00 S ATOM 0 H CYS A 104 3.171 14.723 -0.435 1.00 0.00 H new ATOM 0 HA CYS A 104 1.883 17.348 -0.347 1.00 0.00 H new ATOM 0 HB2 CYS A 104 0.463 14.686 -0.103 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -0.136 16.106 0.731 1.00 0.00 H new ATOM 0 HG CYS A 104 0.441 16.704 -2.517 1.00 0.00 H new ATOM 1664 N GLU A 105 2.654 17.416 1.990 1.00 0.00 N ATOM 1665 CA GLU A 105 3.112 17.498 3.372 1.00 0.00 C ATOM 1666 C GLU A 105 2.203 16.692 4.295 1.00 0.00 C ATOM 1667 O GLU A 105 2.654 16.136 5.296 1.00 0.00 O ATOM 1668 CB GLU A 105 3.159 18.957 3.831 1.00 0.00 C ATOM 1669 CG GLU A 105 1.806 19.648 3.801 1.00 0.00 C ATOM 1670 CD GLU A 105 1.913 21.148 3.996 1.00 0.00 C ATOM 1671 OE1 GLU A 105 1.885 21.599 5.160 1.00 0.00 O ATOM 1672 OE2 GLU A 105 2.025 21.870 2.983 1.00 0.00 O ATOM 0 H GLU A 105 2.613 18.312 1.505 1.00 0.00 H new ATOM 0 HA GLU A 105 4.116 17.077 3.421 1.00 0.00 H new ATOM 0 HB2 GLU A 105 3.556 18.997 4.845 1.00 0.00 H new ATOM 0 HB3 GLU A 105 3.853 19.507 3.195 1.00 0.00 H new ATOM 0 HG2 GLU A 105 1.319 19.443 2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 105 1.170 19.228 4.581 1.00 0.00 H new ATOM 1679 N GLN A 106 0.920 16.634 3.950 1.00 0.00 N ATOM 1680 CA GLN A 106 -0.052 15.897 4.748 1.00 0.00 C ATOM 1681 C GLN A 106 -0.158 14.450 4.278 1.00 0.00 C ATOM 1682 O GLN A 106 -1.241 13.867 4.273 1.00 0.00 O ATOM 1683 CB GLN A 106 -1.423 16.572 4.671 1.00 0.00 C ATOM 1684 CG GLN A 106 -2.007 16.605 3.267 1.00 0.00 C ATOM 1685 CD GLN A 106 -2.936 17.783 3.049 1.00 0.00 C ATOM 1686 OE1 GLN A 106 -2.885 18.445 2.012 1.00 0.00 O ATOM 1687 NE2 GLN A 106 -3.792 18.051 4.028 1.00 0.00 N ATOM 0 H GLN A 106 0.531 17.088 3.124 1.00 0.00 H new ATOM 0 HA GLN A 106 0.289 15.899 5.783 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.114 16.048 5.331 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -1.338 17.593 5.044 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -1.195 16.648 2.541 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -2.551 15.679 3.082 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -3.800 17.476 4.870 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -4.442 18.832 3.938 1.00 0.00 H new ATOM 1696 N ALA A 107 0.974 13.877 3.884 1.00 0.00 N ATOM 1697 CA ALA A 107 1.009 12.498 3.414 1.00 0.00 C ATOM 1698 C ALA A 107 1.173 11.526 4.577 1.00 0.00 C ATOM 1699 O ALA A 107 1.244 11.935 5.736 1.00 0.00 O ATOM 1700 CB ALA A 107 2.134 12.312 2.405 1.00 0.00 C ATOM 0 H ALA A 107 1.879 14.347 3.881 1.00 0.00 H new ATOM 0 HA ALA A 107 0.059 12.282 2.926 1.00 0.00 H new ATOM 0 HB1 ALA A 107 2.148 11.277 2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.973 12.974 1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 107 3.088 12.552 2.875 1.00 0.00 H new ATOM 1706 N VAL A 108 1.233 10.236 4.260 1.00 0.00 N ATOM 1707 CA VAL A 108 1.389 9.205 5.279 1.00 0.00 C ATOM 1708 C VAL A 108 2.855 8.823 5.454 1.00 0.00 C ATOM 1709 O VAL A 108 3.300 8.520 6.562 1.00 0.00 O ATOM 1710 CB VAL A 108 0.579 7.943 4.929 1.00 0.00 C ATOM 1711 CG1 VAL A 108 1.050 7.355 3.608 1.00 0.00 C ATOM 1712 CG2 VAL A 108 0.684 6.916 6.047 1.00 0.00 C ATOM 0 H VAL A 108 1.176 9.881 3.306 1.00 0.00 H new ATOM 0 HA VAL A 108 1.011 9.622 6.212 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.469 8.223 4.821 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.466 6.464 3.378 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.918 8.091 2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.104 7.088 3.684 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.106 6.031 5.783 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.728 6.638 6.189 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.293 7.343 6.971 1.00 0.00 H new ATOM 1722 N TYR A 109 3.599 8.838 4.355 1.00 0.00 N ATOM 1723 CA TYR A 109 5.015 8.491 4.386 1.00 0.00 C ATOM 1724 C TYR A 109 5.834 9.599 5.042 1.00 0.00 C ATOM 1725 O TYR A 109 6.686 9.337 5.890 1.00 0.00 O ATOM 1726 CB TYR A 109 5.530 8.234 2.968 1.00 0.00 C ATOM 1727 CG TYR A 109 4.962 9.182 1.936 1.00 0.00 C ATOM 1728 CD1 TYR A 109 5.537 10.428 1.719 1.00 0.00 C ATOM 1729 CD2 TYR A 109 3.851 8.832 1.180 1.00 0.00 C ATOM 1730 CE1 TYR A 109 5.022 11.298 0.778 1.00 0.00 C ATOM 1731 CE2 TYR A 109 3.330 9.695 0.235 1.00 0.00 C ATOM 1732 CZ TYR A 109 3.918 10.927 0.038 1.00 0.00 C ATOM 1733 OH TYR A 109 3.401 11.790 -0.901 1.00 0.00 O ATOM 0 H TYR A 109 3.246 9.087 3.431 1.00 0.00 H new ATOM 0 HA TYR A 109 5.127 7.582 4.977 1.00 0.00 H new ATOM 0 HB2 TYR A 109 6.617 8.316 2.965 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.287 7.211 2.682 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.402 10.721 2.296 1.00 0.00 H new ATOM 0 HD2 TYR A 109 3.386 7.869 1.333 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.481 12.263 0.622 1.00 0.00 H new ATOM 0 HE2 TYR A 109 2.467 9.406 -0.346 1.00 0.00 H new ATOM 0 HH TYR A 109 2.626 11.376 -1.334 1.00 0.00 H new ATOM 1743 N ASN A 110 5.566 10.838 4.644 1.00 0.00 N ATOM 1744 CA ASN A 110 6.277 11.988 5.193 1.00 0.00 C ATOM 1745 C ASN A 110 6.379 11.889 6.712 1.00 0.00 C ATOM 1746 O ASN A 110 7.434 12.146 7.291 1.00 0.00 O ATOM 1747 CB ASN A 110 5.569 13.286 4.801 1.00 0.00 C ATOM 1748 CG ASN A 110 5.968 13.768 3.420 1.00 0.00 C ATOM 1749 OD1 ASN A 110 6.432 12.988 2.588 1.00 0.00 O ATOM 1750 ND2 ASN A 110 5.789 15.060 3.170 1.00 0.00 N ATOM 0 H ASN A 110 4.862 11.072 3.944 1.00 0.00 H new ATOM 0 HA ASN A 110 7.285 11.993 4.779 1.00 0.00 H new ATOM 0 HB2 ASN A 110 4.490 13.132 4.831 1.00 0.00 H new ATOM 0 HB3 ASN A 110 5.801 14.059 5.534 1.00 0.00 H new ATOM 0 HD21 ASN A 110 6.039 15.442 2.258 1.00 0.00 H new ATOM 0 HD22 ASN A 110 5.401 15.670 3.890 1.00 0.00 H new ATOM 1757 N ARG A 111 5.275 11.516 7.351 1.00 0.00 N ATOM 1758 CA ARG A 111 5.240 11.384 8.802 1.00 0.00 C ATOM 1759 C ARG A 111 5.544 9.950 9.225 1.00 0.00 C ATOM 1760 O ARG A 111 5.664 9.655 10.415 1.00 0.00 O ATOM 1761 CB ARG A 111 3.871 11.806 9.341 1.00 0.00 C ATOM 1762 CG ARG A 111 2.753 10.839 8.988 1.00 0.00 C ATOM 1763 CD ARG A 111 1.398 11.530 8.988 1.00 0.00 C ATOM 1764 NE ARG A 111 0.314 10.609 8.658 1.00 0.00 N ATOM 1765 CZ ARG A 111 -0.221 9.762 9.530 1.00 0.00 C ATOM 1766 NH1 ARG A 111 0.224 9.720 10.778 1.00 0.00 N ATOM 1767 NH2 ARG A 111 -1.205 8.955 9.155 1.00 0.00 N ATOM 0 H ARG A 111 4.393 11.300 6.886 1.00 0.00 H new ATOM 0 HA ARG A 111 6.005 12.038 9.220 1.00 0.00 H new ATOM 0 HB2 ARG A 111 3.930 11.900 10.425 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.624 12.793 8.949 1.00 0.00 H new ATOM 0 HG2 ARG A 111 2.942 10.406 8.006 1.00 0.00 H new ATOM 0 HG3 ARG A 111 2.743 10.016 9.703 1.00 0.00 H new ATOM 0 HD2 ARG A 111 1.215 11.969 9.969 1.00 0.00 H new ATOM 0 HD3 ARG A 111 1.409 12.349 8.269 1.00 0.00 H new ATOM 0 HE ARG A 111 -0.052 10.617 7.706 1.00 0.00 H new ATOM 0 HH11 ARG A 111 0.980 10.339 11.071 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -0.189 9.068 11.445 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -1.551 8.985 8.196 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -1.615 8.305 9.826 1.00 0.00 H new