USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=18 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 52 LYS NZ :NH3+ 174:sc= -0.112 (180deg=-0.196) USER MOD Set 1.2: A 80 ASN : amide:sc= 0.00837 K(o=-0.12,f=-0.63) USER MOD Set 1.3: A 81 CYS SG : rot -170:sc= -0.0152 USER MOD Set 2.1: A 70 ASN : amide:sc= 0.367 K(o=0.62,f=-5.8!) USER MOD Set 2.2: A 72 THR OG1 : rot 77:sc= 0.256 USER MOD Single : A 14 LYS NZ :NH3+ -136:sc= -0.91 (180deg=-3.2!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.175 X(o=-0.18,f=0) USER MOD Single : A 28 GLN : amide:sc= -2.49! K(o=-2.5!,f=-1.3) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 43 GLN : amide:sc= -0.0183 K(o=-0.018,f=-1.2) USER MOD Single : A 45 LYS NZ :NH3+ -162:sc= -0.0195 (180deg=-0.207) USER MOD Single : A 46 THR OG1 : rot 180:sc=-1.96e-05 USER MOD Single : A 50 TYR OH : rot 0:sc= -0.621 USER MOD Single : A 55 ASN : amide:sc= -2.53 X(o=-2.5,f=-2.8!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.032 X(o=-0.032,f=-0.04) USER MOD Single : A 64 CYS SG : rot 180:sc= -0.434 USER MOD Single : A 65 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0071) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 72:sc= 1.01 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -121:sc= -0.261 (180deg=-2.79!) USER MOD Single : A 85 ASN : amide:sc= -1.53 K(o=-1.5,f=-7.9!) USER MOD Single : A 86 CYS SG : rot -135:sc= 0.191 USER MOD Single : A 91 HIS : no HD1:sc= -3.15 K(o=-3.2,f=-4.7!) USER MOD Single : A 92 THR OG1 : rot 92:sc= 0.892 USER MOD Single : A 93 TYR OH : rot 84:sc= 1.11 USER MOD Single : A 101 ASN : amide:sc= -1.67 K(o=-1.7,f=-4.9!) USER MOD Single : A 104 CYS SG : rot 50:sc= 0.326 USER MOD Single : A 106 GLN : amide:sc= -0.476 K(o=-0.48,f=-1.5) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -3.83! C(o=-3.8!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 143 N LEU A 13 9.520 2.453 4.824 1.00 0.00 N ATOM 144 CA LEU A 13 8.675 3.435 4.153 1.00 0.00 C ATOM 145 C LEU A 13 9.519 4.435 3.368 1.00 0.00 C ATOM 146 O LEU A 13 10.403 5.089 3.923 1.00 0.00 O ATOM 147 CB LEU A 13 7.808 4.174 5.174 1.00 0.00 C ATOM 148 CG LEU A 13 6.561 3.432 5.656 1.00 0.00 C ATOM 149 CD1 LEU A 13 5.969 4.121 6.876 1.00 0.00 C ATOM 150 CD2 LEU A 13 5.530 3.341 4.540 1.00 0.00 C ATOM 0 HA LEU A 13 8.030 2.904 3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.424 4.410 6.042 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.496 5.123 4.737 1.00 0.00 H new ATOM 0 HG LEU A 13 6.850 2.420 5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.082 3.579 7.205 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.705 4.134 7.680 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.694 5.144 6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.649 2.810 4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.245 4.345 4.225 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.957 2.803 3.693 1.00 0.00 H new ATOM 162 N LYS A 14 9.241 4.550 2.074 1.00 0.00 N ATOM 163 CA LYS A 14 9.971 5.472 1.213 1.00 0.00 C ATOM 164 C LYS A 14 9.015 6.250 0.314 1.00 0.00 C ATOM 165 O LYS A 14 8.123 5.685 -0.320 1.00 0.00 O ATOM 166 CB LYS A 14 10.985 4.708 0.357 1.00 0.00 C ATOM 167 CG LYS A 14 11.981 5.608 -0.353 1.00 0.00 C ATOM 168 CD LYS A 14 13.127 4.809 -0.950 1.00 0.00 C ATOM 169 CE LYS A 14 12.712 4.115 -2.238 1.00 0.00 C ATOM 170 NZ LYS A 14 11.863 2.920 -1.975 1.00 0.00 N ATOM 0 H LYS A 14 8.514 4.015 1.598 1.00 0.00 H new ATOM 0 HA LYS A 14 10.502 6.181 1.849 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.529 4.007 0.991 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.449 4.116 -0.385 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.473 6.163 -1.142 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.375 6.342 0.350 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.969 5.472 -1.148 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.468 4.066 -0.229 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.166 4.817 -2.869 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.602 3.814 -2.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.177 2.132 -2.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.948 2.647 -0.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.871 3.145 -2.189 1.00 0.00 H new ATOM 184 N PRO A 15 9.204 7.576 0.255 1.00 0.00 N ATOM 185 CA PRO A 15 8.370 8.459 -0.565 1.00 0.00 C ATOM 186 C PRO A 15 8.608 8.260 -2.058 1.00 0.00 C ATOM 187 O PRO A 15 9.681 7.840 -2.489 1.00 0.00 O ATOM 188 CB PRO A 15 8.808 9.861 -0.135 1.00 0.00 C ATOM 189 CG PRO A 15 10.200 9.686 0.366 1.00 0.00 C ATOM 190 CD PRO A 15 10.248 8.316 0.984 1.00 0.00 C ATOM 0 HA PRO A 15 7.307 8.267 -0.419 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.773 10.560 -0.970 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.155 10.259 0.642 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.921 9.773 -0.447 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.451 10.454 1.098 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.228 7.854 0.862 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.043 8.350 2.054 1.00 0.00 H new ATOM 198 N PRO A 16 7.584 8.569 -2.867 1.00 0.00 N ATOM 199 CA PRO A 16 7.659 8.433 -4.325 1.00 0.00 C ATOM 200 C PRO A 16 8.595 9.458 -4.956 1.00 0.00 C ATOM 201 O PRO A 16 8.852 10.515 -4.379 1.00 0.00 O ATOM 202 CB PRO A 16 6.217 8.676 -4.778 1.00 0.00 C ATOM 203 CG PRO A 16 5.617 9.513 -3.702 1.00 0.00 C ATOM 204 CD PRO A 16 6.275 9.076 -2.422 1.00 0.00 C ATOM 0 HA PRO A 16 8.057 7.463 -4.624 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.185 9.187 -5.741 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.676 7.737 -4.897 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.792 10.573 -3.889 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.537 9.372 -3.654 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.382 9.905 -1.722 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.696 8.304 -1.916 1.00 0.00 H new ATOM 212 N GLU A 17 9.101 9.139 -6.143 1.00 0.00 N ATOM 213 CA GLU A 17 10.009 10.034 -6.851 1.00 0.00 C ATOM 214 C GLU A 17 9.256 10.872 -7.879 1.00 0.00 C ATOM 215 O GLU A 17 9.634 12.007 -8.167 1.00 0.00 O ATOM 216 CB GLU A 17 11.115 9.233 -7.541 1.00 0.00 C ATOM 217 CG GLU A 17 10.592 8.149 -8.469 1.00 0.00 C ATOM 218 CD GLU A 17 11.706 7.383 -9.157 1.00 0.00 C ATOM 219 OE1 GLU A 17 12.504 8.016 -9.878 1.00 0.00 O ATOM 220 OE2 GLU A 17 11.778 6.150 -8.973 1.00 0.00 O ATOM 0 H GLU A 17 8.898 8.268 -6.634 1.00 0.00 H new ATOM 0 HA GLU A 17 10.459 10.706 -6.120 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.745 9.916 -8.112 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.748 8.775 -6.781 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.976 7.454 -7.899 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.947 8.601 -9.223 1.00 0.00 H new ATOM 227 N GLN A 18 8.188 10.303 -8.430 1.00 0.00 N ATOM 228 CA GLN A 18 7.382 10.998 -9.427 1.00 0.00 C ATOM 229 C GLN A 18 6.058 10.275 -9.656 1.00 0.00 C ATOM 230 O GLN A 18 5.996 9.047 -9.610 1.00 0.00 O ATOM 231 CB GLN A 18 8.150 11.111 -10.745 1.00 0.00 C ATOM 232 CG GLN A 18 8.431 9.769 -11.402 1.00 0.00 C ATOM 233 CD GLN A 18 8.519 9.866 -12.913 1.00 0.00 C ATOM 234 OE1 GLN A 18 9.268 10.682 -13.451 1.00 0.00 O ATOM 235 NE2 GLN A 18 7.752 9.032 -13.605 1.00 0.00 N ATOM 0 H GLN A 18 7.861 9.364 -8.203 1.00 0.00 H new ATOM 0 HA GLN A 18 7.168 11.999 -9.052 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.580 11.732 -11.436 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.095 11.622 -10.562 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.366 9.367 -11.012 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.644 9.065 -11.132 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.146 8.372 -13.117 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.768 9.051 -14.625 1.00 0.00 H new ATOM 244 N GLU A 19 5.004 11.046 -9.902 1.00 0.00 N ATOM 245 CA GLU A 19 3.681 10.478 -10.137 1.00 0.00 C ATOM 246 C GLU A 19 3.751 9.339 -11.151 1.00 0.00 C ATOM 247 O GLU A 19 4.246 9.514 -12.264 1.00 0.00 O ATOM 248 CB GLU A 19 2.719 11.559 -10.634 1.00 0.00 C ATOM 249 CG GLU A 19 1.284 11.078 -10.773 1.00 0.00 C ATOM 250 CD GLU A 19 0.405 12.071 -11.509 1.00 0.00 C ATOM 251 OE1 GLU A 19 0.605 12.252 -12.728 1.00 0.00 O ATOM 252 OE2 GLU A 19 -0.484 12.667 -10.865 1.00 0.00 O ATOM 0 H GLU A 19 5.040 12.065 -9.944 1.00 0.00 H new ATOM 0 HA GLU A 19 3.311 10.079 -9.192 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.746 12.403 -9.944 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.066 11.926 -11.600 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.274 10.126 -11.304 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.868 10.895 -9.782 1.00 0.00 H new ATOM 259 N ILE A 20 3.252 8.172 -10.756 1.00 0.00 N ATOM 260 CA ILE A 20 3.257 7.005 -11.628 1.00 0.00 C ATOM 261 C ILE A 20 1.941 6.883 -12.390 1.00 0.00 C ATOM 262 O ILE A 20 1.072 7.748 -12.289 1.00 0.00 O ATOM 263 CB ILE A 20 3.499 5.709 -10.833 1.00 0.00 C ATOM 264 CG1 ILE A 20 2.434 5.543 -9.748 1.00 0.00 C ATOM 265 CG2 ILE A 20 4.891 5.716 -10.220 1.00 0.00 C ATOM 266 CD1 ILE A 20 2.131 4.100 -9.412 1.00 0.00 C ATOM 0 H ILE A 20 2.839 8.010 -9.837 1.00 0.00 H new ATOM 0 HA ILE A 20 4.073 7.144 -12.337 1.00 0.00 H new ATOM 0 HB ILE A 20 3.428 4.863 -11.517 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.765 6.056 -8.845 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.516 6.032 -10.074 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.047 4.793 -9.661 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.637 5.791 -11.011 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.988 6.568 -9.548 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.367 4.060 -8.635 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.770 3.587 -10.303 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.038 3.611 -9.055 1.00 0.00 H new ATOM 278 N GLU A 21 1.802 5.801 -13.150 1.00 0.00 N ATOM 279 CA GLU A 21 0.591 5.566 -13.928 1.00 0.00 C ATOM 280 C GLU A 21 -0.099 4.279 -13.484 1.00 0.00 C ATOM 281 O GLU A 21 0.540 3.235 -13.347 1.00 0.00 O ATOM 282 CB GLU A 21 0.923 5.491 -15.420 1.00 0.00 C ATOM 283 CG GLU A 21 1.161 6.849 -16.059 1.00 0.00 C ATOM 284 CD GLU A 21 1.834 6.746 -17.414 1.00 0.00 C ATOM 285 OE1 GLU A 21 3.066 6.541 -17.451 1.00 0.00 O ATOM 286 OE2 GLU A 21 1.129 6.870 -18.437 1.00 0.00 O ATOM 0 H GLU A 21 2.512 5.074 -13.243 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.089 6.401 -13.756 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.811 4.874 -15.555 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.106 4.992 -15.941 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.208 7.367 -16.169 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.778 7.455 -15.396 1.00 0.00 H new ATOM 293 N ILE A 22 -1.406 4.362 -13.261 1.00 0.00 N ATOM 294 CA ILE A 22 -2.182 3.205 -12.833 1.00 0.00 C ATOM 295 C ILE A 22 -3.298 2.895 -13.826 1.00 0.00 C ATOM 296 O ILE A 22 -3.994 3.796 -14.295 1.00 0.00 O ATOM 297 CB ILE A 22 -2.798 3.425 -11.439 1.00 0.00 C ATOM 298 CG1 ILE A 22 -1.699 3.476 -10.375 1.00 0.00 C ATOM 299 CG2 ILE A 22 -3.798 2.323 -11.122 1.00 0.00 C ATOM 300 CD1 ILE A 22 -1.012 2.147 -10.151 1.00 0.00 C ATOM 0 H ILE A 22 -1.950 5.218 -13.370 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.493 2.361 -12.788 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.325 4.379 -11.437 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.954 4.216 -10.669 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.131 3.815 -9.434 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.225 2.492 -10.133 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.594 2.329 -11.867 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.293 1.357 -11.138 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.245 2.258 -9.384 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.745 1.409 -9.827 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.550 1.815 -11.081 1.00 0.00 H new ATOM 312 N ASP A 23 -3.464 1.615 -14.139 1.00 0.00 N ATOM 313 CA ASP A 23 -4.497 1.184 -15.074 1.00 0.00 C ATOM 314 C ASP A 23 -5.679 0.569 -14.331 1.00 0.00 C ATOM 315 O ASP A 23 -5.599 -0.557 -13.841 1.00 0.00 O ATOM 316 CB ASP A 23 -3.925 0.175 -16.071 1.00 0.00 C ATOM 317 CG ASP A 23 -2.931 0.806 -17.027 1.00 0.00 C ATOM 318 OD1 ASP A 23 -3.370 1.518 -17.953 1.00 0.00 O ATOM 319 OD2 ASP A 23 -1.715 0.586 -16.848 1.00 0.00 O ATOM 0 H ASP A 23 -2.897 0.857 -13.759 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.848 2.061 -15.618 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.438 -0.634 -15.526 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.740 -0.271 -16.641 1.00 0.00 H new ATOM 324 N ARG A 24 -6.775 1.317 -14.252 1.00 0.00 N ATOM 325 CA ARG A 24 -7.973 0.846 -13.567 1.00 0.00 C ATOM 326 C ARG A 24 -8.583 -0.347 -14.296 1.00 0.00 C ATOM 327 O ARG A 24 -9.544 -0.952 -13.822 1.00 0.00 O ATOM 328 CB ARG A 24 -9.002 1.973 -13.462 1.00 0.00 C ATOM 329 CG ARG A 24 -8.414 3.293 -12.989 1.00 0.00 C ATOM 330 CD ARG A 24 -9.415 4.084 -12.161 1.00 0.00 C ATOM 331 NE ARG A 24 -8.982 5.462 -11.949 1.00 0.00 N ATOM 332 CZ ARG A 24 -8.999 6.392 -12.897 1.00 0.00 C ATOM 333 NH1 ARG A 24 -9.425 6.093 -14.116 1.00 0.00 N ATOM 334 NH2 ARG A 24 -8.588 7.625 -12.627 1.00 0.00 N ATOM 0 H ARG A 24 -6.858 2.251 -14.654 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.687 0.529 -12.564 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.467 2.121 -14.437 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.792 1.670 -12.775 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.520 3.102 -12.396 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.105 3.885 -13.851 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.383 4.081 -12.662 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.554 3.595 -11.197 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.648 5.725 -11.022 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.741 5.147 -14.328 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.437 6.809 -14.842 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.259 7.859 -11.690 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.602 8.338 -13.356 1.00 0.00 H new ATOM 348 N ASN A 25 -8.017 -0.680 -15.452 1.00 0.00 N ATOM 349 CA ASN A 25 -8.506 -1.800 -16.247 1.00 0.00 C ATOM 350 C ASN A 25 -7.407 -2.837 -16.459 1.00 0.00 C ATOM 351 O ASN A 25 -7.558 -3.763 -17.257 1.00 0.00 O ATOM 352 CB ASN A 25 -9.023 -1.306 -17.600 1.00 0.00 C ATOM 353 CG ASN A 25 -10.192 -0.350 -17.457 1.00 0.00 C ATOM 354 OD1 ASN A 25 -11.344 -0.725 -17.673 1.00 0.00 O ATOM 355 ND2 ASN A 25 -9.898 0.893 -17.093 1.00 0.00 N ATOM 0 H ASN A 25 -7.220 -0.190 -15.858 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.325 -2.269 -15.702 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.214 -0.809 -18.136 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.328 -2.161 -18.204 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.642 1.581 -16.982 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.928 1.159 -16.924 1.00 0.00 H new ATOM 362 N ILE A 26 -6.302 -2.676 -15.738 1.00 0.00 N ATOM 363 CA ILE A 26 -5.179 -3.599 -15.846 1.00 0.00 C ATOM 364 C ILE A 26 -4.421 -3.698 -14.527 1.00 0.00 C ATOM 365 O ILE A 26 -3.982 -2.688 -13.974 1.00 0.00 O ATOM 366 CB ILE A 26 -4.202 -3.169 -16.956 1.00 0.00 C ATOM 367 CG1 ILE A 26 -4.908 -3.166 -18.314 1.00 0.00 C ATOM 368 CG2 ILE A 26 -2.993 -4.093 -16.984 1.00 0.00 C ATOM 369 CD1 ILE A 26 -5.657 -1.884 -18.602 1.00 0.00 C ATOM 0 H ILE A 26 -6.161 -1.915 -15.073 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.595 -4.575 -16.098 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.857 -2.157 -16.744 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.170 -3.330 -19.099 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.606 -4.002 -18.353 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.311 -3.777 -17.774 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.480 -4.050 -16.023 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.320 -5.115 -17.175 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.133 -1.952 -19.580 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.419 -1.728 -17.838 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.960 -1.046 -18.595 1.00 0.00 H new ATOM 381 N ILE A 27 -4.268 -4.920 -14.028 1.00 0.00 N ATOM 382 CA ILE A 27 -3.560 -5.151 -12.776 1.00 0.00 C ATOM 383 C ILE A 27 -2.124 -5.597 -13.030 1.00 0.00 C ATOM 384 O ILE A 27 -1.862 -6.779 -13.252 1.00 0.00 O ATOM 385 CB ILE A 27 -4.270 -6.211 -11.914 1.00 0.00 C ATOM 386 CG1 ILE A 27 -5.708 -5.780 -11.618 1.00 0.00 C ATOM 387 CG2 ILE A 27 -3.504 -6.443 -10.621 1.00 0.00 C ATOM 388 CD1 ILE A 27 -6.513 -6.826 -10.879 1.00 0.00 C ATOM 0 H ILE A 27 -4.625 -5.766 -14.472 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.554 -4.203 -12.238 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.299 -7.149 -12.469 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.690 -4.864 -11.028 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.209 -5.545 -12.557 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.019 -7.195 -10.023 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.497 -6.790 -10.852 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.446 -5.510 -10.060 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.522 -6.452 -10.703 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.563 -7.736 -11.477 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -6.036 -7.045 -9.924 1.00 0.00 H new ATOM 400 N GLN A 28 -1.198 -4.644 -12.994 1.00 0.00 N ATOM 401 CA GLN A 28 0.211 -4.940 -13.220 1.00 0.00 C ATOM 402 C GLN A 28 0.874 -5.442 -11.941 1.00 0.00 C ATOM 403 O GLN A 28 0.375 -5.209 -10.841 1.00 0.00 O ATOM 404 CB GLN A 28 0.940 -3.695 -13.731 1.00 0.00 C ATOM 405 CG GLN A 28 0.200 -2.971 -14.844 1.00 0.00 C ATOM 406 CD GLN A 28 0.471 -1.480 -14.851 1.00 0.00 C ATOM 407 OE1 GLN A 28 1.602 -1.041 -14.635 1.00 0.00 O ATOM 408 NE2 GLN A 28 -0.567 -0.690 -15.100 1.00 0.00 N ATOM 0 H GLN A 28 -1.399 -3.661 -12.811 1.00 0.00 H new ATOM 0 HA GLN A 28 0.275 -5.725 -13.973 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.093 -3.007 -12.900 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.927 -3.984 -14.091 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.493 -3.394 -15.805 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.871 -3.141 -14.734 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.487 -1.096 -15.274 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.445 0.322 -15.118 1.00 0.00 H new ATOM 417 N GLU A 29 1.999 -6.134 -12.096 1.00 0.00 N ATOM 418 CA GLU A 29 2.728 -6.670 -10.952 1.00 0.00 C ATOM 419 C GLU A 29 2.979 -5.585 -9.910 1.00 0.00 C ATOM 420 O GLU A 29 2.871 -5.827 -8.708 1.00 0.00 O ATOM 421 CB GLU A 29 4.058 -7.275 -11.406 1.00 0.00 C ATOM 422 CG GLU A 29 5.024 -6.256 -11.986 1.00 0.00 C ATOM 423 CD GLU A 29 4.576 -5.730 -13.336 1.00 0.00 C ATOM 424 OE1 GLU A 29 4.106 -6.540 -14.162 1.00 0.00 O ATOM 425 OE2 GLU A 29 4.695 -4.509 -13.567 1.00 0.00 O ATOM 0 H GLU A 29 2.425 -6.336 -13.001 1.00 0.00 H new ATOM 0 HA GLU A 29 2.118 -7.451 -10.498 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.531 -7.769 -10.558 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.861 -8.043 -12.154 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.127 -5.422 -11.291 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.009 -6.711 -12.086 1.00 0.00 H new ATOM 432 N GLU A 30 3.316 -4.388 -10.380 1.00 0.00 N ATOM 433 CA GLU A 30 3.585 -3.265 -9.488 1.00 0.00 C ATOM 434 C GLU A 30 2.517 -3.166 -8.402 1.00 0.00 C ATOM 435 O GLU A 30 2.787 -2.706 -7.293 1.00 0.00 O ATOM 436 CB GLU A 30 3.645 -1.958 -10.281 1.00 0.00 C ATOM 437 CG GLU A 30 5.025 -1.645 -10.834 1.00 0.00 C ATOM 438 CD GLU A 30 6.122 -1.827 -9.803 1.00 0.00 C ATOM 439 OE1 GLU A 30 6.103 -1.108 -8.783 1.00 0.00 O ATOM 440 OE2 GLU A 30 7.000 -2.689 -10.018 1.00 0.00 O ATOM 0 H GLU A 30 3.409 -4.171 -11.372 1.00 0.00 H new ATOM 0 HA GLU A 30 4.550 -3.436 -9.010 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.935 -2.011 -11.107 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.326 -1.138 -9.638 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.225 -2.291 -11.689 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.042 -0.618 -11.199 1.00 0.00 H new ATOM 447 N GLU A 31 1.305 -3.599 -8.731 1.00 0.00 N ATOM 448 CA GLU A 31 0.196 -3.558 -7.785 1.00 0.00 C ATOM 449 C GLU A 31 0.126 -4.847 -6.972 1.00 0.00 C ATOM 450 O GLU A 31 -0.148 -4.824 -5.771 1.00 0.00 O ATOM 451 CB GLU A 31 -1.126 -3.335 -8.523 1.00 0.00 C ATOM 452 CG GLU A 31 -1.170 -2.038 -9.314 1.00 0.00 C ATOM 453 CD GLU A 31 -2.060 -2.132 -10.538 1.00 0.00 C ATOM 454 OE1 GLU A 31 -3.094 -2.829 -10.469 1.00 0.00 O ATOM 455 OE2 GLU A 31 -1.723 -1.507 -11.565 1.00 0.00 O ATOM 0 H GLU A 31 1.066 -3.982 -9.645 1.00 0.00 H new ATOM 0 HA GLU A 31 0.367 -2.726 -7.101 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.299 -4.170 -9.201 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.941 -3.337 -7.800 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.528 -1.235 -8.669 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.160 -1.771 -9.624 1.00 0.00 H new ATOM 462 N LYS A 32 0.375 -5.971 -7.634 1.00 0.00 N ATOM 463 CA LYS A 32 0.342 -7.272 -6.975 1.00 0.00 C ATOM 464 C LYS A 32 1.469 -7.394 -5.955 1.00 0.00 C ATOM 465 O LYS A 32 1.438 -8.263 -5.085 1.00 0.00 O ATOM 466 CB LYS A 32 0.452 -8.394 -8.010 1.00 0.00 C ATOM 467 CG LYS A 32 -0.734 -8.467 -8.956 1.00 0.00 C ATOM 468 CD LYS A 32 -0.523 -9.518 -10.034 1.00 0.00 C ATOM 469 CE LYS A 32 -1.518 -9.356 -11.173 1.00 0.00 C ATOM 470 NZ LYS A 32 -1.285 -10.349 -12.258 1.00 0.00 N ATOM 0 H LYS A 32 0.602 -6.008 -8.628 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.609 -7.362 -6.451 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.362 -8.252 -8.592 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.551 -9.347 -7.491 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.637 -8.699 -8.392 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.890 -7.494 -9.421 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.492 -9.443 -10.423 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.625 -10.512 -9.599 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.532 -9.469 -10.789 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.442 -8.348 -11.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.983 -10.206 -13.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.327 -10.225 -12.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.382 -11.311 -11.875 1.00 0.00 H new ATOM 484 N GLN A 33 2.461 -6.516 -6.068 1.00 0.00 N ATOM 485 CA GLN A 33 3.597 -6.527 -5.154 1.00 0.00 C ATOM 486 C GLN A 33 3.279 -5.749 -3.882 1.00 0.00 C ATOM 487 O GLN A 33 3.861 -6.001 -2.827 1.00 0.00 O ATOM 488 CB GLN A 33 4.831 -5.932 -5.835 1.00 0.00 C ATOM 489 CG GLN A 33 5.380 -6.794 -6.960 1.00 0.00 C ATOM 490 CD GLN A 33 6.769 -6.370 -7.396 1.00 0.00 C ATOM 491 OE1 GLN A 33 7.667 -6.204 -6.571 1.00 0.00 O ATOM 492 NE2 GLN A 33 6.952 -6.193 -8.699 1.00 0.00 N ATOM 0 H GLN A 33 2.501 -5.789 -6.782 1.00 0.00 H new ATOM 0 HA GLN A 33 3.804 -7.562 -4.883 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.578 -4.949 -6.232 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.611 -5.783 -5.089 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.407 -7.834 -6.635 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.704 -6.744 -7.814 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.179 -6.342 -9.347 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.866 -5.908 -9.052 1.00 0.00 H new ATOM 501 N ALA A 34 2.353 -4.802 -3.989 1.00 0.00 N ATOM 502 CA ALA A 34 1.956 -3.989 -2.846 1.00 0.00 C ATOM 503 C ALA A 34 0.602 -4.430 -2.301 1.00 0.00 C ATOM 504 O ALA A 34 0.272 -4.166 -1.145 1.00 0.00 O ATOM 505 CB ALA A 34 1.918 -2.518 -3.234 1.00 0.00 C ATOM 0 H ALA A 34 1.864 -4.579 -4.856 1.00 0.00 H new ATOM 0 HA ALA A 34 2.696 -4.127 -2.058 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.620 -1.922 -2.372 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.907 -2.204 -3.568 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.200 -2.373 -4.041 1.00 0.00 H new ATOM 511 N ILE A 35 -0.178 -5.102 -3.141 1.00 0.00 N ATOM 512 CA ILE A 35 -1.496 -5.579 -2.743 1.00 0.00 C ATOM 513 C ILE A 35 -1.611 -7.089 -2.921 1.00 0.00 C ATOM 514 O ILE A 35 -2.594 -7.604 -3.454 1.00 0.00 O ATOM 515 CB ILE A 35 -2.612 -4.892 -3.551 1.00 0.00 C ATOM 516 CG1 ILE A 35 -2.317 -3.398 -3.702 1.00 0.00 C ATOM 517 CG2 ILE A 35 -3.961 -5.106 -2.881 1.00 0.00 C ATOM 518 CD1 ILE A 35 -2.414 -2.629 -2.403 1.00 0.00 C ATOM 0 H ILE A 35 0.080 -5.328 -4.101 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.616 -5.329 -1.689 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.647 -5.339 -4.545 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.316 -3.273 -4.115 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.014 -2.969 -4.422 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.739 -4.614 -3.465 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.172 -6.174 -2.821 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.939 -4.684 -1.876 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.193 -1.577 -2.585 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.422 -2.723 -1.999 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.697 -3.032 -1.687 1.00 0.00 H new ATOM 530 N PRO A 36 -0.583 -7.819 -2.462 1.00 0.00 N ATOM 531 CA PRO A 36 -0.545 -9.281 -2.558 1.00 0.00 C ATOM 532 C PRO A 36 -1.558 -9.948 -1.633 1.00 0.00 C ATOM 533 O PRO A 36 -1.622 -11.174 -1.550 1.00 0.00 O ATOM 534 CB PRO A 36 0.882 -9.628 -2.126 1.00 0.00 C ATOM 535 CG PRO A 36 1.302 -8.492 -1.259 1.00 0.00 C ATOM 536 CD PRO A 36 0.622 -7.272 -1.815 1.00 0.00 C ATOM 0 HA PRO A 36 -0.799 -9.631 -3.559 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.913 -10.573 -1.583 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.542 -9.734 -2.987 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.010 -8.663 -0.223 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.385 -8.373 -1.269 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.368 -6.560 -1.030 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.258 -6.747 -2.528 1.00 0.00 H new ATOM 544 N GLU A 37 -2.348 -9.133 -0.941 1.00 0.00 N ATOM 545 CA GLU A 37 -3.357 -9.646 -0.023 1.00 0.00 C ATOM 546 C GLU A 37 -4.593 -10.121 -0.783 1.00 0.00 C ATOM 547 O GLU A 37 -5.229 -11.105 -0.404 1.00 0.00 O ATOM 548 CB GLU A 37 -3.751 -8.570 0.991 1.00 0.00 C ATOM 549 CG GLU A 37 -4.998 -8.912 1.788 1.00 0.00 C ATOM 550 CD GLU A 37 -4.685 -9.660 3.069 1.00 0.00 C ATOM 551 OE1 GLU A 37 -4.407 -10.876 2.992 1.00 0.00 O ATOM 552 OE2 GLU A 37 -4.718 -9.032 4.148 1.00 0.00 O ATOM 0 H GLU A 37 -2.308 -8.115 -0.999 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.929 -10.496 0.508 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.922 -8.411 1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.913 -7.629 0.465 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.533 -7.994 2.029 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.664 -9.517 1.172 1.00 0.00 H new ATOM 559 N PHE A 38 -4.928 -9.413 -1.857 1.00 0.00 N ATOM 560 CA PHE A 38 -6.088 -9.760 -2.669 1.00 0.00 C ATOM 561 C PHE A 38 -5.700 -10.724 -3.787 1.00 0.00 C ATOM 562 O PHE A 38 -6.525 -11.079 -4.630 1.00 0.00 O ATOM 563 CB PHE A 38 -6.716 -8.498 -3.264 1.00 0.00 C ATOM 564 CG PHE A 38 -7.748 -7.866 -2.374 1.00 0.00 C ATOM 565 CD1 PHE A 38 -9.032 -8.380 -2.307 1.00 0.00 C ATOM 566 CD2 PHE A 38 -7.433 -6.756 -1.606 1.00 0.00 C ATOM 567 CE1 PHE A 38 -9.984 -7.801 -1.489 1.00 0.00 C ATOM 568 CE2 PHE A 38 -8.381 -6.173 -0.786 1.00 0.00 C ATOM 569 CZ PHE A 38 -9.658 -6.696 -0.728 1.00 0.00 C ATOM 0 H PHE A 38 -4.413 -8.596 -2.185 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.817 -10.252 -2.025 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.929 -7.772 -3.468 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.176 -8.747 -4.221 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.293 -9.244 -2.901 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.436 -6.342 -1.649 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -10.982 -8.212 -1.445 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.123 -5.309 -0.191 1.00 0.00 H new ATOM 0 HZ PHE A 38 -10.400 -6.241 -0.089 1.00 0.00 H new ATOM 579 N PHE A 39 -4.439 -11.143 -3.788 1.00 0.00 N ATOM 580 CA PHE A 39 -3.941 -12.065 -4.802 1.00 0.00 C ATOM 581 C PHE A 39 -3.325 -13.303 -4.157 1.00 0.00 C ATOM 582 O PHE A 39 -2.591 -14.051 -4.801 1.00 0.00 O ATOM 583 CB PHE A 39 -2.905 -11.369 -5.688 1.00 0.00 C ATOM 584 CG PHE A 39 -3.366 -10.043 -6.221 1.00 0.00 C ATOM 585 CD1 PHE A 39 -4.411 -9.970 -7.128 1.00 0.00 C ATOM 586 CD2 PHE A 39 -2.753 -8.868 -5.815 1.00 0.00 C ATOM 587 CE1 PHE A 39 -4.837 -8.751 -7.620 1.00 0.00 C ATOM 588 CE2 PHE A 39 -3.176 -7.646 -6.303 1.00 0.00 C ATOM 589 CZ PHE A 39 -4.218 -7.587 -7.207 1.00 0.00 C ATOM 0 H PHE A 39 -3.743 -10.859 -3.098 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.784 -12.379 -5.417 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.989 -11.223 -5.116 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.657 -12.022 -6.525 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.898 -10.877 -7.454 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.936 -8.908 -5.110 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.653 -8.708 -8.326 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.692 -6.737 -5.977 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.548 -6.633 -7.590 1.00 0.00 H new ATOM 599 N GLU A 40 -3.630 -13.511 -2.880 1.00 0.00 N ATOM 600 CA GLU A 40 -3.106 -14.657 -2.147 1.00 0.00 C ATOM 601 C GLU A 40 -3.611 -15.965 -2.749 1.00 0.00 C ATOM 602 O GLU A 40 -2.883 -16.954 -2.812 1.00 0.00 O ATOM 603 CB GLU A 40 -3.505 -14.574 -0.672 1.00 0.00 C ATOM 604 CG GLU A 40 -2.745 -13.512 0.105 1.00 0.00 C ATOM 605 CD GLU A 40 -2.896 -13.668 1.606 1.00 0.00 C ATOM 606 OE1 GLU A 40 -3.421 -14.714 2.044 1.00 0.00 O ATOM 607 OE2 GLU A 40 -2.490 -12.745 2.343 1.00 0.00 O ATOM 0 H GLU A 40 -4.237 -12.901 -2.332 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.019 -14.638 -2.223 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.573 -14.367 -0.604 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.338 -15.544 -0.204 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.688 -13.562 -0.157 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.101 -12.525 -0.192 1.00 0.00 H new ATOM 614 N GLY A 41 -4.866 -15.961 -3.189 1.00 0.00 N ATOM 615 CA GLY A 41 -5.448 -17.153 -3.780 1.00 0.00 C ATOM 616 C GLY A 41 -6.475 -17.805 -2.875 1.00 0.00 C ATOM 617 O GLY A 41 -6.415 -19.008 -2.623 1.00 0.00 O ATOM 0 H GLY A 41 -5.490 -15.155 -3.147 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.917 -16.893 -4.729 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.656 -17.869 -4.002 1.00 0.00 H new ATOM 621 N ARG A 42 -7.420 -17.009 -2.385 1.00 0.00 N ATOM 622 CA ARG A 42 -8.463 -17.515 -1.501 1.00 0.00 C ATOM 623 C ARG A 42 -9.836 -17.398 -2.157 1.00 0.00 C ATOM 624 O ARG A 42 -9.996 -16.706 -3.162 1.00 0.00 O ATOM 625 CB ARG A 42 -8.453 -16.753 -0.175 1.00 0.00 C ATOM 626 CG ARG A 42 -7.064 -16.587 0.421 1.00 0.00 C ATOM 627 CD ARG A 42 -6.592 -17.864 1.097 1.00 0.00 C ATOM 628 NE ARG A 42 -7.338 -18.144 2.321 1.00 0.00 N ATOM 629 CZ ARG A 42 -7.304 -19.313 2.951 1.00 0.00 C ATOM 630 NH1 ARG A 42 -6.564 -20.305 2.476 1.00 0.00 N ATOM 631 NH2 ARG A 42 -8.011 -19.491 4.060 1.00 0.00 N ATOM 0 H ARG A 42 -7.485 -16.011 -2.585 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.260 -18.568 -1.308 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.894 -15.768 -0.328 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.086 -17.277 0.541 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.361 -16.308 -0.364 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.073 -15.772 1.145 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.701 -18.701 0.407 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.531 -17.779 1.331 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.917 -17.401 2.714 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.019 -20.172 1.624 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.540 -21.201 2.962 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.581 -18.730 4.429 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.984 -20.389 4.543 1.00 0.00 H new ATOM 645 N GLN A 43 -10.821 -18.079 -1.581 1.00 0.00 N ATOM 646 CA GLN A 43 -12.179 -18.052 -2.111 1.00 0.00 C ATOM 647 C GLN A 43 -12.885 -16.754 -1.733 1.00 0.00 C ATOM 648 O GLN A 43 -13.597 -16.164 -2.545 1.00 0.00 O ATOM 649 CB GLN A 43 -12.976 -19.249 -1.591 1.00 0.00 C ATOM 650 CG GLN A 43 -13.137 -19.263 -0.080 1.00 0.00 C ATOM 651 CD GLN A 43 -13.381 -20.656 0.468 1.00 0.00 C ATOM 652 OE1 GLN A 43 -13.599 -21.603 -0.287 1.00 0.00 O ATOM 653 NE2 GLN A 43 -13.345 -20.786 1.789 1.00 0.00 N ATOM 0 H GLN A 43 -10.704 -18.656 -0.748 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.119 -18.109 -3.198 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.963 -19.246 -2.053 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.481 -20.168 -1.904 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -12.241 -18.847 0.381 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -13.969 -18.616 0.199 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -13.161 -19.973 2.377 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -13.502 -21.699 2.216 1.00 0.00 H new ATOM 662 N ALA A 44 -12.682 -16.314 -0.495 1.00 0.00 N ATOM 663 CA ALA A 44 -13.298 -15.085 -0.011 1.00 0.00 C ATOM 664 C ALA A 44 -12.635 -13.859 -0.629 1.00 0.00 C ATOM 665 O ALA A 44 -13.289 -12.845 -0.876 1.00 0.00 O ATOM 666 CB ALA A 44 -13.221 -15.020 1.508 1.00 0.00 C ATOM 0 H ALA A 44 -12.096 -16.791 0.190 1.00 0.00 H new ATOM 0 HA ALA A 44 -14.346 -15.089 -0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -13.685 -14.097 1.857 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.746 -15.874 1.936 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.177 -15.042 1.821 1.00 0.00 H new ATOM 672 N LYS A 45 -11.334 -13.957 -0.877 1.00 0.00 N ATOM 673 CA LYS A 45 -10.582 -12.856 -1.467 1.00 0.00 C ATOM 674 C LYS A 45 -10.481 -13.016 -2.981 1.00 0.00 C ATOM 675 O LYS A 45 -10.235 -14.112 -3.485 1.00 0.00 O ATOM 676 CB LYS A 45 -9.180 -12.783 -0.857 1.00 0.00 C ATOM 677 CG LYS A 45 -9.172 -12.351 0.599 1.00 0.00 C ATOM 678 CD LYS A 45 -7.860 -11.684 0.975 1.00 0.00 C ATOM 679 CE LYS A 45 -8.039 -10.716 2.136 1.00 0.00 C ATOM 680 NZ LYS A 45 -8.782 -9.492 1.727 1.00 0.00 N ATOM 0 H LYS A 45 -10.778 -14.788 -0.678 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.114 -11.929 -1.251 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.706 -13.761 -0.940 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.576 -12.086 -1.438 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.997 -11.661 0.779 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.336 -13.219 1.238 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.128 -12.445 1.244 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.462 -11.150 0.112 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.575 -11.213 2.944 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.062 -10.434 2.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.625 -8.740 2.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.442 -9.174 0.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.798 -9.706 1.670 1.00 0.00 H new ATOM 694 N THR A 46 -10.671 -11.915 -3.702 1.00 0.00 N ATOM 695 CA THR A 46 -10.601 -11.933 -5.157 1.00 0.00 C ATOM 696 C THR A 46 -9.939 -10.668 -5.692 1.00 0.00 C ATOM 697 O THR A 46 -10.032 -9.593 -5.100 1.00 0.00 O ATOM 698 CB THR A 46 -12.001 -12.070 -5.785 1.00 0.00 C ATOM 699 OG1 THR A 46 -12.787 -10.911 -5.488 1.00 0.00 O ATOM 700 CG2 THR A 46 -12.707 -13.314 -5.267 1.00 0.00 C ATOM 0 H THR A 46 -10.875 -11.000 -3.301 1.00 0.00 H new ATOM 0 HA THR A 46 -10.000 -12.799 -5.433 1.00 0.00 H new ATOM 0 HB THR A 46 -11.883 -12.161 -6.865 1.00 0.00 H new ATOM 0 HG1 THR A 46 -13.675 -11.005 -5.892 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.694 -13.390 -5.724 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.121 -14.197 -5.521 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.813 -13.248 -4.184 1.00 0.00 H new ATOM 708 N PRO A 47 -9.254 -10.797 -6.838 1.00 0.00 N ATOM 709 CA PRO A 47 -8.563 -9.674 -7.478 1.00 0.00 C ATOM 710 C PRO A 47 -9.534 -8.651 -8.059 1.00 0.00 C ATOM 711 O PRO A 47 -9.209 -7.470 -8.176 1.00 0.00 O ATOM 712 CB PRO A 47 -7.759 -10.342 -8.595 1.00 0.00 C ATOM 713 CG PRO A 47 -8.503 -11.596 -8.900 1.00 0.00 C ATOM 714 CD PRO A 47 -9.101 -12.049 -7.597 1.00 0.00 C ATOM 0 HA PRO A 47 -7.951 -9.115 -6.770 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.691 -9.699 -9.472 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.739 -10.555 -8.276 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.279 -11.418 -9.645 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.837 -12.356 -9.309 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.059 -12.548 -7.746 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.451 -12.755 -7.080 1.00 0.00 H new ATOM 722 N GLU A 48 -10.727 -9.114 -8.420 1.00 0.00 N ATOM 723 CA GLU A 48 -11.745 -8.238 -8.990 1.00 0.00 C ATOM 724 C GLU A 48 -12.214 -7.210 -7.964 1.00 0.00 C ATOM 725 O GLU A 48 -12.534 -6.073 -8.310 1.00 0.00 O ATOM 726 CB GLU A 48 -12.936 -9.060 -9.486 1.00 0.00 C ATOM 727 CG GLU A 48 -12.644 -9.854 -10.748 1.00 0.00 C ATOM 728 CD GLU A 48 -11.577 -10.911 -10.538 1.00 0.00 C ATOM 729 OE1 GLU A 48 -11.620 -11.599 -9.496 1.00 0.00 O ATOM 730 OE2 GLU A 48 -10.700 -11.050 -11.415 1.00 0.00 O ATOM 0 H GLU A 48 -11.012 -10.089 -8.328 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.302 -7.708 -9.833 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.246 -9.747 -8.698 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.776 -8.391 -9.674 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.561 -10.332 -11.092 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.325 -9.172 -11.536 1.00 0.00 H new ATOM 737 N ARG A 49 -12.252 -7.619 -6.700 1.00 0.00 N ATOM 738 CA ARG A 49 -12.683 -6.736 -5.623 1.00 0.00 C ATOM 739 C ARG A 49 -11.668 -5.619 -5.397 1.00 0.00 C ATOM 740 O ARG A 49 -12.033 -4.449 -5.281 1.00 0.00 O ATOM 741 CB ARG A 49 -12.880 -7.530 -4.331 1.00 0.00 C ATOM 742 CG ARG A 49 -13.903 -6.917 -3.389 1.00 0.00 C ATOM 743 CD ARG A 49 -13.699 -7.392 -1.959 1.00 0.00 C ATOM 744 NE ARG A 49 -14.939 -7.359 -1.189 1.00 0.00 N ATOM 745 CZ ARG A 49 -15.921 -8.242 -1.339 1.00 0.00 C ATOM 746 NH1 ARG A 49 -15.806 -9.222 -2.224 1.00 0.00 N ATOM 747 NH2 ARG A 49 -17.019 -8.146 -0.601 1.00 0.00 N ATOM 0 H ARG A 49 -11.989 -8.557 -6.397 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.633 -6.287 -5.913 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.191 -8.544 -4.582 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.924 -7.609 -3.814 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.828 -5.830 -3.427 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -14.908 -7.179 -3.721 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.305 -8.408 -1.967 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.953 -6.764 -1.472 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.058 -6.618 -0.498 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.962 -9.300 -2.792 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.561 -9.898 -2.337 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.110 -7.394 0.082 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -17.772 -8.824 -0.717 1.00 0.00 H new ATOM 761 N TYR A 50 -10.394 -5.989 -5.335 1.00 0.00 N ATOM 762 CA TYR A 50 -9.326 -5.019 -5.119 1.00 0.00 C ATOM 763 C TYR A 50 -9.430 -3.865 -6.112 1.00 0.00 C ATOM 764 O TYR A 50 -9.098 -2.723 -5.792 1.00 0.00 O ATOM 765 CB TYR A 50 -7.960 -5.696 -5.248 1.00 0.00 C ATOM 766 CG TYR A 50 -6.856 -4.755 -5.672 1.00 0.00 C ATOM 767 CD1 TYR A 50 -6.332 -3.822 -4.785 1.00 0.00 C ATOM 768 CD2 TYR A 50 -6.335 -4.799 -6.959 1.00 0.00 C ATOM 769 CE1 TYR A 50 -5.323 -2.960 -5.168 1.00 0.00 C ATOM 770 CE2 TYR A 50 -5.325 -3.941 -7.351 1.00 0.00 C ATOM 771 CZ TYR A 50 -4.823 -3.023 -6.452 1.00 0.00 C ATOM 772 OH TYR A 50 -3.817 -2.167 -6.837 1.00 0.00 O ATOM 0 H TYR A 50 -10.075 -6.953 -5.431 1.00 0.00 H new ATOM 0 HA TYR A 50 -9.432 -4.618 -4.111 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.695 -6.146 -4.291 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.033 -6.507 -5.972 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.721 -3.770 -3.779 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.726 -5.516 -7.666 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.928 -2.241 -4.466 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.931 -3.989 -8.355 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.577 -1.586 -6.086 1.00 0.00 H new ATOM 782 N LEU A 51 -9.893 -4.172 -7.319 1.00 0.00 N ATOM 783 CA LEU A 51 -10.043 -3.161 -8.360 1.00 0.00 C ATOM 784 C LEU A 51 -11.192 -2.212 -8.037 1.00 0.00 C ATOM 785 O LEU A 51 -11.094 -1.004 -8.256 1.00 0.00 O ATOM 786 CB LEU A 51 -10.283 -3.829 -9.715 1.00 0.00 C ATOM 787 CG LEU A 51 -9.033 -4.180 -10.522 1.00 0.00 C ATOM 788 CD1 LEU A 51 -9.414 -4.856 -11.830 1.00 0.00 C ATOM 789 CD2 LEU A 51 -8.202 -2.933 -10.787 1.00 0.00 C ATOM 0 H LEU A 51 -10.171 -5.112 -7.601 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.121 -2.582 -8.405 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.853 -4.743 -9.551 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.906 -3.168 -10.318 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.431 -4.877 -9.938 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.511 -5.098 -12.391 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.967 -5.771 -11.619 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.037 -4.183 -12.419 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.316 -3.202 -11.363 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.796 -2.213 -11.350 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.898 -2.490 -9.839 1.00 0.00 H new ATOM 801 N LYS A 52 -12.280 -2.765 -7.513 1.00 0.00 N ATOM 802 CA LYS A 52 -13.447 -1.968 -7.155 1.00 0.00 C ATOM 803 C LYS A 52 -13.087 -0.911 -6.116 1.00 0.00 C ATOM 804 O LYS A 52 -13.199 0.288 -6.373 1.00 0.00 O ATOM 805 CB LYS A 52 -14.560 -2.870 -6.616 1.00 0.00 C ATOM 806 CG LYS A 52 -15.944 -2.252 -6.712 1.00 0.00 C ATOM 807 CD LYS A 52 -16.106 -1.092 -5.744 1.00 0.00 C ATOM 808 CE LYS A 52 -17.545 -0.602 -5.697 1.00 0.00 C ATOM 809 NZ LYS A 52 -18.453 -1.604 -5.075 1.00 0.00 N ATOM 0 H LYS A 52 -12.378 -3.763 -7.327 1.00 0.00 H new ATOM 0 HA LYS A 52 -13.800 -1.463 -8.054 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.552 -3.811 -7.167 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.350 -3.109 -5.574 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.118 -1.904 -7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -16.698 -3.011 -6.501 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.794 -1.402 -4.747 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -15.451 -0.273 -6.043 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.593 0.330 -5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -17.886 -0.381 -6.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -19.403 -1.193 -4.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -18.506 -2.448 -5.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -18.086 -1.872 -4.140 1.00 0.00 H new ATOM 823 N ILE A 53 -12.654 -1.363 -4.944 1.00 0.00 N ATOM 824 CA ILE A 53 -12.275 -0.455 -3.869 1.00 0.00 C ATOM 825 C ILE A 53 -11.263 0.578 -4.353 1.00 0.00 C ATOM 826 O ILE A 53 -11.434 1.778 -4.136 1.00 0.00 O ATOM 827 CB ILE A 53 -11.679 -1.219 -2.671 1.00 0.00 C ATOM 828 CG1 ILE A 53 -12.722 -2.164 -2.072 1.00 0.00 C ATOM 829 CG2 ILE A 53 -11.173 -0.243 -1.619 1.00 0.00 C ATOM 830 CD1 ILE A 53 -12.123 -3.398 -1.434 1.00 0.00 C ATOM 0 H ILE A 53 -12.557 -2.352 -4.715 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.185 0.053 -3.550 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.836 -1.814 -3.021 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.303 -1.624 -1.324 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.416 -2.470 -2.855 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -10.755 -0.798 -0.779 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.402 0.393 -2.054 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.999 0.376 -1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.920 -4.022 -1.030 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.565 -3.961 -2.183 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -11.451 -3.101 -0.628 1.00 0.00 H new ATOM 842 N ARG A 54 -10.209 0.105 -5.010 1.00 0.00 N ATOM 843 CA ARG A 54 -9.170 0.988 -5.525 1.00 0.00 C ATOM 844 C ARG A 54 -9.757 2.012 -6.492 1.00 0.00 C ATOM 845 O ARG A 54 -9.711 3.215 -6.241 1.00 0.00 O ATOM 846 CB ARG A 54 -8.081 0.174 -6.226 1.00 0.00 C ATOM 847 CG ARG A 54 -6.831 0.977 -6.546 1.00 0.00 C ATOM 848 CD ARG A 54 -5.903 0.215 -7.479 1.00 0.00 C ATOM 849 NE ARG A 54 -6.537 -0.079 -8.761 1.00 0.00 N ATOM 850 CZ ARG A 54 -5.875 -0.522 -9.824 1.00 0.00 C ATOM 851 NH1 ARG A 54 -4.566 -0.722 -9.758 1.00 0.00 N ATOM 852 NH2 ARG A 54 -6.523 -0.767 -10.956 1.00 0.00 N ATOM 0 H ARG A 54 -10.052 -0.885 -5.198 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.730 1.521 -4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.808 -0.671 -5.594 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.485 -0.237 -7.151 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.113 1.924 -7.006 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.304 1.216 -5.622 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.998 0.799 -7.647 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.597 -0.717 -7.004 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.543 0.064 -8.845 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.065 -0.536 -8.889 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.060 -1.062 -10.576 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.530 -0.615 -11.010 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.014 -1.107 -11.772 1.00 0.00 H new ATOM 866 N ASN A 55 -10.307 1.524 -7.600 1.00 0.00 N ATOM 867 CA ASN A 55 -10.902 2.397 -8.605 1.00 0.00 C ATOM 868 C ASN A 55 -11.656 3.550 -7.948 1.00 0.00 C ATOM 869 O ASN A 55 -11.547 4.700 -8.374 1.00 0.00 O ATOM 870 CB ASN A 55 -11.850 1.601 -9.505 1.00 0.00 C ATOM 871 CG ASN A 55 -11.133 0.970 -10.684 1.00 0.00 C ATOM 872 OD1 ASN A 55 -11.631 0.988 -11.809 1.00 0.00 O ATOM 873 ND2 ASN A 55 -9.957 0.408 -10.429 1.00 0.00 N ATOM 0 H ASN A 55 -10.353 0.530 -7.824 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.097 2.812 -9.212 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -12.335 0.821 -8.918 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -12.637 2.260 -9.872 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.428 -0.032 -11.182 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.583 0.417 -9.480 1.00 0.00 H new ATOM 880 N TYR A 56 -12.420 3.233 -6.908 1.00 0.00 N ATOM 881 CA TYR A 56 -13.193 4.241 -6.193 1.00 0.00 C ATOM 882 C TYR A 56 -12.289 5.358 -5.680 1.00 0.00 C ATOM 883 O TYR A 56 -12.523 6.536 -5.953 1.00 0.00 O ATOM 884 CB TYR A 56 -13.946 3.602 -5.025 1.00 0.00 C ATOM 885 CG TYR A 56 -14.857 4.563 -4.294 1.00 0.00 C ATOM 886 CD1 TYR A 56 -14.386 5.327 -3.233 1.00 0.00 C ATOM 887 CD2 TYR A 56 -16.189 4.706 -4.664 1.00 0.00 C ATOM 888 CE1 TYR A 56 -15.215 6.205 -2.562 1.00 0.00 C ATOM 889 CE2 TYR A 56 -17.024 5.583 -4.000 1.00 0.00 C ATOM 890 CZ TYR A 56 -16.533 6.330 -2.950 1.00 0.00 C ATOM 891 OH TYR A 56 -17.362 7.204 -2.284 1.00 0.00 O ATOM 0 H TYR A 56 -12.520 2.286 -6.542 1.00 0.00 H new ATOM 0 HA TYR A 56 -13.913 4.672 -6.889 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -14.538 2.766 -5.399 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -13.224 3.191 -4.319 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -13.354 5.233 -2.928 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -16.578 4.121 -5.485 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -14.834 6.790 -1.738 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -18.056 5.683 -4.302 1.00 0.00 H new ATOM 0 HH TYR A 56 -18.257 7.173 -2.682 1.00 0.00 H new ATOM 901 N ILE A 57 -11.256 4.979 -4.935 1.00 0.00 N ATOM 902 CA ILE A 57 -10.316 5.948 -4.385 1.00 0.00 C ATOM 903 C ILE A 57 -9.758 6.854 -5.477 1.00 0.00 C ATOM 904 O ILE A 57 -10.008 8.061 -5.485 1.00 0.00 O ATOM 905 CB ILE A 57 -9.146 5.250 -3.665 1.00 0.00 C ATOM 906 CG1 ILE A 57 -9.641 4.559 -2.393 1.00 0.00 C ATOM 907 CG2 ILE A 57 -8.052 6.255 -3.338 1.00 0.00 C ATOM 908 CD1 ILE A 57 -8.610 3.650 -1.760 1.00 0.00 C ATOM 0 H ILE A 57 -11.049 4.009 -4.699 1.00 0.00 H new ATOM 0 HA ILE A 57 -10.869 6.550 -3.664 1.00 0.00 H new ATOM 0 HB ILE A 57 -8.730 4.492 -4.328 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -9.938 5.318 -1.669 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -10.532 3.977 -2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.232 5.748 -2.830 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.684 6.705 -4.260 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.455 7.033 -2.690 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.029 3.194 -0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.330 2.869 -2.467 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.727 4.231 -1.493 1.00 0.00 H new ATOM 920 N LEU A 58 -9.003 6.266 -6.398 1.00 0.00 N ATOM 921 CA LEU A 58 -8.411 7.020 -7.498 1.00 0.00 C ATOM 922 C LEU A 58 -9.384 8.072 -8.023 1.00 0.00 C ATOM 923 O LEU A 58 -9.005 9.219 -8.258 1.00 0.00 O ATOM 924 CB LEU A 58 -8.004 6.075 -8.630 1.00 0.00 C ATOM 925 CG LEU A 58 -6.689 5.321 -8.434 1.00 0.00 C ATOM 926 CD1 LEU A 58 -6.609 4.133 -9.380 1.00 0.00 C ATOM 927 CD2 LEU A 58 -5.504 6.253 -8.644 1.00 0.00 C ATOM 0 H LEU A 58 -8.786 5.269 -6.405 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.524 7.528 -7.121 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.801 5.345 -8.771 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.934 6.653 -9.552 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.655 4.947 -7.411 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.666 3.608 -9.226 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.439 3.454 -9.182 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.665 4.484 -10.410 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.576 5.700 -8.501 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.533 6.656 -9.656 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.553 7.071 -7.926 1.00 0.00 H new ATOM 939 N ASP A 59 -10.638 7.673 -8.202 1.00 0.00 N ATOM 940 CA ASP A 59 -11.666 8.582 -8.695 1.00 0.00 C ATOM 941 C ASP A 59 -11.819 9.784 -7.769 1.00 0.00 C ATOM 942 O ASP A 59 -11.667 10.929 -8.194 1.00 0.00 O ATOM 943 CB ASP A 59 -13.003 7.851 -8.827 1.00 0.00 C ATOM 944 CG ASP A 59 -13.098 7.043 -10.107 1.00 0.00 C ATOM 945 OD1 ASP A 59 -12.138 6.307 -10.417 1.00 0.00 O ATOM 946 OD2 ASP A 59 -14.133 7.147 -10.798 1.00 0.00 O ATOM 0 H ASP A 59 -10.967 6.726 -8.013 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.358 8.940 -9.677 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.137 7.189 -7.972 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.815 8.577 -8.798 1.00 0.00 H new ATOM 951 N GLN A 60 -12.121 9.515 -6.503 1.00 0.00 N ATOM 952 CA GLN A 60 -12.296 10.576 -5.518 1.00 0.00 C ATOM 953 C GLN A 60 -11.054 11.458 -5.441 1.00 0.00 C ATOM 954 O GLN A 60 -11.155 12.680 -5.332 1.00 0.00 O ATOM 955 CB GLN A 60 -12.597 9.978 -4.142 1.00 0.00 C ATOM 956 CG GLN A 60 -13.755 8.994 -4.147 1.00 0.00 C ATOM 957 CD GLN A 60 -15.033 9.598 -4.694 1.00 0.00 C ATOM 958 OE1 GLN A 60 -15.439 10.689 -4.291 1.00 0.00 O ATOM 959 NE2 GLN A 60 -15.675 8.892 -5.617 1.00 0.00 N ATOM 0 H GLN A 60 -12.250 8.572 -6.135 1.00 0.00 H new ATOM 0 HA GLN A 60 -13.138 11.193 -5.831 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.705 9.474 -3.771 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -12.820 10.786 -3.445 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.484 8.124 -4.745 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -13.931 8.641 -3.131 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.303 7.993 -5.922 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.541 9.249 -6.022 1.00 0.00 H new ATOM 968 N TRP A 61 -9.885 10.831 -5.500 1.00 0.00 N ATOM 969 CA TRP A 61 -8.623 11.560 -5.436 1.00 0.00 C ATOM 970 C TRP A 61 -8.617 12.724 -6.421 1.00 0.00 C ATOM 971 O TRP A 61 -8.318 13.859 -6.051 1.00 0.00 O ATOM 972 CB TRP A 61 -7.452 10.620 -5.731 1.00 0.00 C ATOM 973 CG TRP A 61 -6.271 11.315 -6.337 1.00 0.00 C ATOM 974 CD1 TRP A 61 -5.637 10.988 -7.502 1.00 0.00 C ATOM 975 CD2 TRP A 61 -5.582 12.453 -5.809 1.00 0.00 C ATOM 976 NE1 TRP A 61 -4.595 11.855 -7.729 1.00 0.00 N ATOM 977 CE2 TRP A 61 -4.541 12.763 -6.705 1.00 0.00 C ATOM 978 CE3 TRP A 61 -5.745 13.242 -4.667 1.00 0.00 C ATOM 979 CZ2 TRP A 61 -3.668 13.827 -6.493 1.00 0.00 C ATOM 980 CZ3 TRP A 61 -4.877 14.297 -4.457 1.00 0.00 C ATOM 981 CH2 TRP A 61 -3.850 14.583 -5.366 1.00 0.00 C ATOM 0 H TRP A 61 -9.784 9.820 -5.592 1.00 0.00 H new ATOM 0 HA TRP A 61 -8.513 11.960 -4.428 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -7.143 10.134 -4.805 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -7.788 9.834 -6.407 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.914 10.169 -8.149 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.964 11.827 -8.530 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.535 13.031 -3.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.876 14.048 -7.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -4.993 14.912 -3.577 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.189 15.416 -5.174 1.00 0.00 H new ATOM 992 N GLU A 62 -8.948 12.434 -7.675 1.00 0.00 N ATOM 993 CA GLU A 62 -8.980 13.459 -8.713 1.00 0.00 C ATOM 994 C GLU A 62 -10.171 14.392 -8.519 1.00 0.00 C ATOM 995 O GLU A 62 -10.068 15.600 -8.736 1.00 0.00 O ATOM 996 CB GLU A 62 -9.044 12.812 -10.098 1.00 0.00 C ATOM 997 CG GLU A 62 -8.098 11.635 -10.265 1.00 0.00 C ATOM 998 CD GLU A 62 -6.739 12.049 -10.794 1.00 0.00 C ATOM 999 OE1 GLU A 62 -6.590 12.157 -12.029 1.00 0.00 O ATOM 1000 OE2 GLU A 62 -5.824 12.266 -9.972 1.00 0.00 O ATOM 0 H GLU A 62 -9.198 11.499 -7.997 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.065 14.046 -8.637 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.064 12.477 -10.286 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.811 13.564 -10.852 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.973 11.135 -9.304 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.543 10.910 -10.946 1.00 0.00 H new ATOM 1007 N ILE A 63 -11.300 13.824 -8.110 1.00 0.00 N ATOM 1008 CA ILE A 63 -12.510 14.605 -7.886 1.00 0.00 C ATOM 1009 C ILE A 63 -12.250 15.759 -6.923 1.00 0.00 C ATOM 1010 O ILE A 63 -12.993 16.741 -6.900 1.00 0.00 O ATOM 1011 CB ILE A 63 -13.649 13.732 -7.328 1.00 0.00 C ATOM 1012 CG1 ILE A 63 -14.201 12.815 -8.421 1.00 0.00 C ATOM 1013 CG2 ILE A 63 -14.754 14.606 -6.754 1.00 0.00 C ATOM 1014 CD1 ILE A 63 -15.091 11.712 -7.893 1.00 0.00 C ATOM 0 H ILE A 63 -11.402 12.826 -7.927 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.811 15.004 -8.855 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.251 13.111 -6.526 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -14.765 13.414 -9.136 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.368 12.369 -8.965 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.552 13.974 -6.364 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -14.351 15.220 -5.949 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -15.152 15.251 -7.538 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -15.446 11.102 -8.724 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -14.526 11.089 -7.200 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -15.944 12.150 -7.374 1.00 0.00 H new ATOM 1026 N CYS A 64 -11.191 15.634 -6.132 1.00 0.00 N ATOM 1027 CA CYS A 64 -10.831 16.667 -5.167 1.00 0.00 C ATOM 1028 C CYS A 64 -9.506 17.322 -5.540 1.00 0.00 C ATOM 1029 O CYS A 64 -9.300 18.512 -5.303 1.00 0.00 O ATOM 1030 CB CYS A 64 -10.742 16.071 -3.761 1.00 0.00 C ATOM 1031 SG CYS A 64 -11.112 17.246 -2.437 1.00 0.00 S ATOM 0 H CYS A 64 -10.566 14.828 -6.139 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.609 17.430 -5.182 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.432 15.230 -3.690 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.739 15.673 -3.609 1.00 0.00 H new ATOM 0 HG CYS A 64 -11.013 16.649 -1.287 1.00 0.00 H new ATOM 1037 N LYS A 65 -8.607 16.536 -6.124 1.00 0.00 N ATOM 1038 CA LYS A 65 -7.300 17.038 -6.530 1.00 0.00 C ATOM 1039 C LYS A 65 -7.420 18.424 -7.157 1.00 0.00 C ATOM 1040 O LYS A 65 -8.461 18.800 -7.696 1.00 0.00 O ATOM 1041 CB LYS A 65 -6.646 16.074 -7.522 1.00 0.00 C ATOM 1042 CG LYS A 65 -6.954 16.393 -8.974 1.00 0.00 C ATOM 1043 CD LYS A 65 -6.189 15.482 -9.920 1.00 0.00 C ATOM 1044 CE LYS A 65 -4.752 15.947 -10.100 1.00 0.00 C ATOM 1045 NZ LYS A 65 -4.656 17.106 -11.030 1.00 0.00 N ATOM 0 H LYS A 65 -8.760 15.548 -6.327 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.675 17.113 -5.640 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.566 16.093 -7.376 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.979 15.060 -7.303 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.024 16.287 -9.152 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.698 17.432 -9.181 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.197 14.463 -9.532 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.689 15.458 -10.888 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.336 16.223 -9.131 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.149 15.123 -10.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.656 17.350 -11.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.091 16.857 -11.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.154 17.922 -10.620 1.00 0.00 H new ATOM 1059 N PRO A 66 -6.330 19.202 -7.087 1.00 0.00 N ATOM 1060 CA PRO A 66 -5.085 18.766 -6.447 1.00 0.00 C ATOM 1061 C PRO A 66 -5.221 18.652 -4.932 1.00 0.00 C ATOM 1062 O PRO A 66 -4.277 18.270 -4.241 1.00 0.00 O ATOM 1063 CB PRO A 66 -4.092 19.872 -6.813 1.00 0.00 C ATOM 1064 CG PRO A 66 -4.936 21.076 -7.050 1.00 0.00 C ATOM 1065 CD PRO A 66 -6.229 20.569 -7.626 1.00 0.00 C ATOM 0 HA PRO A 66 -4.781 17.774 -6.780 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.376 20.043 -6.009 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.518 19.610 -7.702 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.109 21.620 -6.121 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.447 21.766 -7.737 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.074 21.185 -7.320 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.212 20.571 -8.716 1.00 0.00 H new ATOM 1073 N LYS A 67 -6.402 18.986 -4.422 1.00 0.00 N ATOM 1074 CA LYS A 67 -6.663 18.919 -2.989 1.00 0.00 C ATOM 1075 C LYS A 67 -6.367 17.525 -2.446 1.00 0.00 C ATOM 1076 O LYS A 67 -6.646 16.521 -3.103 1.00 0.00 O ATOM 1077 CB LYS A 67 -8.118 19.294 -2.697 1.00 0.00 C ATOM 1078 CG LYS A 67 -8.512 20.661 -3.228 1.00 0.00 C ATOM 1079 CD LYS A 67 -7.782 21.775 -2.496 1.00 0.00 C ATOM 1080 CE LYS A 67 -8.541 23.090 -2.583 1.00 0.00 C ATOM 1081 NZ LYS A 67 -7.808 24.199 -1.912 1.00 0.00 N ATOM 0 H LYS A 67 -7.194 19.306 -4.980 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.004 19.630 -2.491 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.773 18.541 -3.135 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.281 19.271 -1.620 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.288 20.717 -4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.588 20.798 -3.121 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.650 21.499 -1.450 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.786 21.900 -2.921 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.707 23.345 -3.630 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.523 22.974 -2.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.358 25.078 -1.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.672 23.967 -0.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.881 24.327 -2.366 1.00 0.00 H new ATOM 1095 N TYR A 68 -5.803 17.470 -1.245 1.00 0.00 N ATOM 1096 CA TYR A 68 -5.469 16.198 -0.615 1.00 0.00 C ATOM 1097 C TYR A 68 -6.719 15.348 -0.407 1.00 0.00 C ATOM 1098 O TYR A 68 -7.841 15.857 -0.423 1.00 0.00 O ATOM 1099 CB TYR A 68 -4.773 16.437 0.726 1.00 0.00 C ATOM 1100 CG TYR A 68 -4.376 15.163 1.437 1.00 0.00 C ATOM 1101 CD1 TYR A 68 -3.179 14.523 1.141 1.00 0.00 C ATOM 1102 CD2 TYR A 68 -5.197 14.600 2.406 1.00 0.00 C ATOM 1103 CE1 TYR A 68 -2.812 13.359 1.788 1.00 0.00 C ATOM 1104 CE2 TYR A 68 -4.838 13.437 3.059 1.00 0.00 C ATOM 1105 CZ TYR A 68 -3.645 12.820 2.746 1.00 0.00 C ATOM 1106 OH TYR A 68 -3.283 11.661 3.394 1.00 0.00 O ATOM 0 H TYR A 68 -5.567 18.291 -0.688 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.792 15.660 -1.278 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.883 17.044 0.561 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.436 17.013 1.372 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -2.524 14.943 0.392 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -6.132 15.080 2.653 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.878 12.874 1.545 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.488 13.013 3.810 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.544 11.848 4.010 1.00 0.00 H new ATOM 1116 N LEU A 69 -6.517 14.049 -0.213 1.00 0.00 N ATOM 1117 CA LEU A 69 -7.627 13.126 -0.002 1.00 0.00 C ATOM 1118 C LEU A 69 -7.304 12.133 1.110 1.00 0.00 C ATOM 1119 O LEU A 69 -6.302 11.422 1.049 1.00 0.00 O ATOM 1120 CB LEU A 69 -7.945 12.375 -1.296 1.00 0.00 C ATOM 1121 CG LEU A 69 -8.933 11.215 -1.173 1.00 0.00 C ATOM 1122 CD1 LEU A 69 -10.359 11.704 -1.373 1.00 0.00 C ATOM 1123 CD2 LEU A 69 -8.597 10.120 -2.175 1.00 0.00 C ATOM 0 H LEU A 69 -5.596 13.612 -0.197 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.499 13.707 0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.341 13.088 -2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.012 11.989 -1.707 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.852 10.799 -0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.048 10.864 -1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.597 12.452 -0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.456 12.147 -2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.311 9.302 -2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.649 10.524 -3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.590 9.749 -1.984 1.00 0.00 H new ATOM 1135 N ASN A 70 -8.162 12.087 2.123 1.00 0.00 N ATOM 1136 CA ASN A 70 -7.969 11.179 3.248 1.00 0.00 C ATOM 1137 C ASN A 70 -8.778 9.899 3.059 1.00 0.00 C ATOM 1138 O ASN A 70 -9.762 9.876 2.319 1.00 0.00 O ATOM 1139 CB ASN A 70 -8.373 11.862 4.557 1.00 0.00 C ATOM 1140 CG ASN A 70 -7.652 11.282 5.758 1.00 0.00 C ATOM 1141 OD1 ASN A 70 -7.917 10.152 6.169 1.00 0.00 O ATOM 1142 ND2 ASN A 70 -6.734 12.055 6.327 1.00 0.00 N ATOM 0 H ASN A 70 -8.998 12.668 2.188 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.912 10.917 3.294 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.159 12.929 4.488 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -9.449 11.761 4.699 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.216 11.718 7.139 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.547 12.985 5.952 1.00 0.00 H new ATOM 1149 N LYS A 71 -8.356 8.834 3.732 1.00 0.00 N ATOM 1150 CA LYS A 71 -9.040 7.550 3.641 1.00 0.00 C ATOM 1151 C LYS A 71 -10.387 7.600 4.354 1.00 0.00 C ATOM 1152 O LYS A 71 -11.303 6.843 4.029 1.00 0.00 O ATOM 1153 CB LYS A 71 -8.172 6.443 4.244 1.00 0.00 C ATOM 1154 CG LYS A 71 -7.850 6.654 5.713 1.00 0.00 C ATOM 1155 CD LYS A 71 -7.124 5.457 6.303 1.00 0.00 C ATOM 1156 CE LYS A 71 -8.100 4.407 6.811 1.00 0.00 C ATOM 1157 NZ LYS A 71 -7.409 3.328 7.569 1.00 0.00 N ATOM 0 H LYS A 71 -7.542 8.835 4.347 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.215 7.333 2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.683 5.488 4.126 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.240 6.377 3.682 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.234 7.546 5.827 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.772 6.830 6.267 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.474 5.016 5.547 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.484 5.786 7.121 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.843 4.882 7.451 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.637 3.972 5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.108 2.632 7.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.717 2.858 6.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.918 3.739 8.388 1.00 0.00 H new ATOM 1171 N THR A 72 -10.504 8.496 5.329 1.00 0.00 N ATOM 1172 CA THR A 72 -11.739 8.645 6.088 1.00 0.00 C ATOM 1173 C THR A 72 -12.886 9.093 5.189 1.00 0.00 C ATOM 1174 O THR A 72 -14.056 8.894 5.514 1.00 0.00 O ATOM 1175 CB THR A 72 -11.575 9.659 7.235 1.00 0.00 C ATOM 1176 OG1 THR A 72 -10.304 9.479 7.871 1.00 0.00 O ATOM 1177 CG2 THR A 72 -12.687 9.501 8.261 1.00 0.00 C ATOM 0 H THR A 72 -9.757 9.130 5.612 1.00 0.00 H new ATOM 0 HA THR A 72 -11.971 7.667 6.509 1.00 0.00 H new ATOM 0 HB THR A 72 -11.631 10.662 6.813 1.00 0.00 H new ATOM 0 HG1 THR A 72 -9.600 9.866 7.310 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.550 10.228 9.061 1.00 0.00 H new ATOM 0 HG22 THR A 72 -13.651 9.668 7.781 1.00 0.00 H new ATOM 0 HG23 THR A 72 -12.658 8.494 8.677 1.00 0.00 H new ATOM 1185 N SER A 73 -12.542 9.697 4.056 1.00 0.00 N ATOM 1186 CA SER A 73 -13.544 10.176 3.111 1.00 0.00 C ATOM 1187 C SER A 73 -14.048 9.038 2.229 1.00 0.00 C ATOM 1188 O SER A 73 -15.127 9.121 1.642 1.00 0.00 O ATOM 1189 CB SER A 73 -12.963 11.292 2.241 1.00 0.00 C ATOM 1190 OG SER A 73 -12.413 12.327 3.038 1.00 0.00 O ATOM 0 H SER A 73 -11.578 9.866 3.770 1.00 0.00 H new ATOM 0 HA SER A 73 -14.385 10.570 3.681 1.00 0.00 H new ATOM 0 HB2 SER A 73 -12.192 10.884 1.587 1.00 0.00 H new ATOM 0 HB3 SER A 73 -13.743 11.700 1.598 1.00 0.00 H new ATOM 0 HG SER A 73 -12.047 13.027 2.458 1.00 0.00 H new ATOM 1196 N VAL A 74 -13.257 7.972 2.141 1.00 0.00 N ATOM 1197 CA VAL A 74 -13.621 6.815 1.332 1.00 0.00 C ATOM 1198 C VAL A 74 -13.969 5.619 2.210 1.00 0.00 C ATOM 1199 O VAL A 74 -14.306 4.545 1.709 1.00 0.00 O ATOM 1200 CB VAL A 74 -12.483 6.421 0.372 1.00 0.00 C ATOM 1201 CG1 VAL A 74 -12.072 7.607 -0.486 1.00 0.00 C ATOM 1202 CG2 VAL A 74 -11.294 5.879 1.151 1.00 0.00 C ATOM 0 H VAL A 74 -12.361 7.886 2.620 1.00 0.00 H new ATOM 0 HA VAL A 74 -14.496 7.099 0.748 1.00 0.00 H new ATOM 0 HB VAL A 74 -12.845 5.634 -0.289 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.267 7.309 -1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -12.926 7.946 -1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.727 8.418 0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.499 5.605 0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.930 6.643 1.837 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.600 4.999 1.717 1.00 0.00 H new ATOM 1212 N ARG A 75 -13.886 5.811 3.522 1.00 0.00 N ATOM 1213 CA ARG A 75 -14.192 4.747 4.471 1.00 0.00 C ATOM 1214 C ARG A 75 -15.682 4.419 4.459 1.00 0.00 C ATOM 1215 O ARG A 75 -16.093 3.295 4.171 1.00 0.00 O ATOM 1216 CB ARG A 75 -13.759 5.152 5.881 1.00 0.00 C ATOM 1217 CG ARG A 75 -12.366 4.669 6.253 1.00 0.00 C ATOM 1218 CD ARG A 75 -12.082 4.875 7.733 1.00 0.00 C ATOM 1219 NE ARG A 75 -13.027 4.148 8.577 1.00 0.00 N ATOM 1220 CZ ARG A 75 -14.196 4.645 8.968 1.00 0.00 C ATOM 1221 NH1 ARG A 75 -14.562 5.862 8.592 1.00 0.00 N ATOM 1222 NH2 ARG A 75 -15.001 3.922 9.736 1.00 0.00 N ATOM 0 H ARG A 75 -13.609 6.693 3.952 1.00 0.00 H new ATOM 0 HA ARG A 75 -13.640 3.857 4.170 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.792 6.238 5.964 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.476 4.756 6.600 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.268 3.612 6.006 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.624 5.204 5.661 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.068 4.545 7.957 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.130 5.938 7.967 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.776 3.208 8.883 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.946 6.420 8.001 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.460 6.241 8.894 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.723 2.985 10.026 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.898 4.304 10.036 1.00 0.00 H new ATOM 1236 N PRO A 76 -16.512 5.423 4.780 1.00 0.00 N ATOM 1237 CA PRO A 76 -17.969 5.266 4.813 1.00 0.00 C ATOM 1238 C PRO A 76 -18.565 5.088 3.421 1.00 0.00 C ATOM 1239 O PRO A 76 -19.772 4.903 3.271 1.00 0.00 O ATOM 1240 CB PRO A 76 -18.452 6.577 5.438 1.00 0.00 C ATOM 1241 CG PRO A 76 -17.380 7.563 5.127 1.00 0.00 C ATOM 1242 CD PRO A 76 -16.091 6.789 5.134 1.00 0.00 C ATOM 0 HA PRO A 76 -18.271 4.377 5.366 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -19.409 6.887 5.018 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -18.595 6.474 6.514 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -17.549 8.030 4.157 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -17.359 8.363 5.867 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -15.378 7.189 4.413 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -15.609 6.820 6.111 1.00 0.00 H new ATOM 1250 N GLY A 77 -17.710 5.144 2.404 1.00 0.00 N ATOM 1251 CA GLY A 77 -18.171 4.987 1.038 1.00 0.00 C ATOM 1252 C GLY A 77 -18.124 3.545 0.572 1.00 0.00 C ATOM 1253 O GLY A 77 -18.984 3.103 -0.191 1.00 0.00 O ATOM 0 H GLY A 77 -16.706 5.295 2.503 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -19.193 5.358 0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -17.557 5.599 0.378 1.00 0.00 H new ATOM 1257 N LEU A 78 -17.117 2.810 1.030 1.00 0.00 N ATOM 1258 CA LEU A 78 -16.959 1.409 0.654 1.00 0.00 C ATOM 1259 C LEU A 78 -16.838 0.524 1.891 1.00 0.00 C ATOM 1260 O LEU A 78 -15.745 0.089 2.252 1.00 0.00 O ATOM 1261 CB LEU A 78 -15.727 1.235 -0.234 1.00 0.00 C ATOM 1262 CG LEU A 78 -15.639 2.158 -1.450 1.00 0.00 C ATOM 1263 CD1 LEU A 78 -14.251 2.098 -2.067 1.00 0.00 C ATOM 1264 CD2 LEU A 78 -16.699 1.788 -2.478 1.00 0.00 C ATOM 0 H LEU A 78 -16.397 3.160 1.662 1.00 0.00 H new ATOM 0 HA LEU A 78 -17.846 1.105 0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.838 1.388 0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.699 0.203 -0.584 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.823 3.180 -1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.208 2.761 -2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.512 2.413 -1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.037 1.077 -2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -16.622 2.455 -3.337 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.547 0.759 -2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -17.689 1.885 -2.031 1.00 0.00 H new ATOM 1276 N LYS A 79 -17.970 0.260 2.536 1.00 0.00 N ATOM 1277 CA LYS A 79 -17.993 -0.576 3.730 1.00 0.00 C ATOM 1278 C LYS A 79 -18.313 -2.024 3.374 1.00 0.00 C ATOM 1279 O LYS A 79 -17.454 -2.900 3.463 1.00 0.00 O ATOM 1280 CB LYS A 79 -19.023 -0.045 4.729 1.00 0.00 C ATOM 1281 CG LYS A 79 -18.458 0.976 5.701 1.00 0.00 C ATOM 1282 CD LYS A 79 -19.257 1.019 6.993 1.00 0.00 C ATOM 1283 CE LYS A 79 -20.419 1.996 6.897 1.00 0.00 C ATOM 1284 NZ LYS A 79 -19.965 3.409 7.013 1.00 0.00 N ATOM 0 H LYS A 79 -18.883 0.613 2.251 1.00 0.00 H new ATOM 0 HA LYS A 79 -17.003 -0.543 4.186 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -19.849 0.407 4.180 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -19.435 -0.882 5.293 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -17.419 0.732 5.923 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -18.462 1.962 5.237 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -19.636 0.023 7.221 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -18.604 1.308 7.816 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -20.933 1.857 5.946 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -21.141 1.780 7.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -20.436 3.859 7.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -18.935 3.432 7.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -20.207 3.924 6.142 1.00 0.00 H new ATOM 1298 N ASN A 80 -19.556 -2.268 2.970 1.00 0.00 N ATOM 1299 CA ASN A 80 -19.989 -3.611 2.599 1.00 0.00 C ATOM 1300 C ASN A 80 -18.927 -4.312 1.757 1.00 0.00 C ATOM 1301 O ASN A 80 -18.825 -5.539 1.765 1.00 0.00 O ATOM 1302 CB ASN A 80 -21.309 -3.549 1.828 1.00 0.00 C ATOM 1303 CG ASN A 80 -21.265 -2.551 0.687 1.00 0.00 C ATOM 1304 OD1 ASN A 80 -21.440 -1.349 0.892 1.00 0.00 O ATOM 1305 ND2 ASN A 80 -21.032 -3.045 -0.523 1.00 0.00 N ATOM 0 H ASN A 80 -20.280 -1.554 2.891 1.00 0.00 H new ATOM 0 HA ASN A 80 -20.137 -4.184 3.514 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -21.543 -4.538 1.434 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -22.114 -3.280 2.512 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -20.992 -2.422 -1.329 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -20.893 -4.048 -0.646 1.00 0.00 H new ATOM 1312 N CYS A 81 -18.140 -3.525 1.033 1.00 0.00 N ATOM 1313 CA CYS A 81 -17.086 -4.070 0.185 1.00 0.00 C ATOM 1314 C CYS A 81 -15.716 -3.871 0.825 1.00 0.00 C ATOM 1315 O CYS A 81 -15.074 -2.839 0.634 1.00 0.00 O ATOM 1316 CB CYS A 81 -17.119 -3.409 -1.194 1.00 0.00 C ATOM 1317 SG CYS A 81 -18.205 -4.233 -2.382 1.00 0.00 S ATOM 0 H CYS A 81 -18.211 -2.508 1.016 1.00 0.00 H new ATOM 0 HA CYS A 81 -17.262 -5.140 0.071 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -17.441 -2.374 -1.081 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -16.107 -3.386 -1.598 1.00 0.00 H new ATOM 0 HG CYS A 81 -18.010 -3.735 -3.567 1.00 0.00 H new ATOM 1323 N GLY A 82 -15.274 -4.867 1.587 1.00 0.00 N ATOM 1324 CA GLY A 82 -13.984 -4.781 2.246 1.00 0.00 C ATOM 1325 C GLY A 82 -14.085 -4.214 3.648 1.00 0.00 C ATOM 1326 O GLY A 82 -15.122 -3.673 4.033 1.00 0.00 O ATOM 0 H GLY A 82 -15.786 -5.732 1.760 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.535 -5.773 2.290 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.317 -4.156 1.652 1.00 0.00 H new ATOM 1330 N ASP A 83 -13.007 -4.339 4.414 1.00 0.00 N ATOM 1331 CA ASP A 83 -12.979 -3.836 5.782 1.00 0.00 C ATOM 1332 C ASP A 83 -11.978 -2.692 5.920 1.00 0.00 C ATOM 1333 O ASP A 83 -11.162 -2.456 5.029 1.00 0.00 O ATOM 1334 CB ASP A 83 -12.623 -4.961 6.755 1.00 0.00 C ATOM 1335 CG ASP A 83 -13.842 -5.738 7.213 1.00 0.00 C ATOM 1336 OD1 ASP A 83 -14.821 -5.813 6.441 1.00 0.00 O ATOM 1337 OD2 ASP A 83 -13.817 -6.270 8.342 1.00 0.00 O ATOM 0 H ASP A 83 -12.141 -4.784 4.111 1.00 0.00 H new ATOM 0 HA ASP A 83 -13.972 -3.458 6.024 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -11.920 -5.643 6.276 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.117 -4.540 7.624 1.00 0.00 H new ATOM 1342 N VAL A 84 -12.048 -1.983 7.042 1.00 0.00 N ATOM 1343 CA VAL A 84 -11.149 -0.864 7.297 1.00 0.00 C ATOM 1344 C VAL A 84 -9.706 -1.234 6.973 1.00 0.00 C ATOM 1345 O VAL A 84 -8.909 -0.382 6.583 1.00 0.00 O ATOM 1346 CB VAL A 84 -11.231 -0.400 8.763 1.00 0.00 C ATOM 1347 CG1 VAL A 84 -11.063 -1.581 9.707 1.00 0.00 C ATOM 1348 CG2 VAL A 84 -10.187 0.670 9.043 1.00 0.00 C ATOM 0 H VAL A 84 -12.718 -2.164 7.789 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.467 -0.049 6.648 1.00 0.00 H new ATOM 0 HB VAL A 84 -12.216 0.034 8.934 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -11.124 -1.234 10.738 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.852 -2.310 9.522 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.092 -2.047 9.538 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.260 0.986 10.084 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.192 0.266 8.855 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -10.360 1.526 8.391 1.00 0.00 H new ATOM 1358 N ASN A 85 -9.377 -2.511 7.136 1.00 0.00 N ATOM 1359 CA ASN A 85 -8.029 -2.995 6.861 1.00 0.00 C ATOM 1360 C ASN A 85 -7.678 -2.817 5.387 1.00 0.00 C ATOM 1361 O ASN A 85 -6.787 -2.040 5.039 1.00 0.00 O ATOM 1362 CB ASN A 85 -7.903 -4.469 7.252 1.00 0.00 C ATOM 1363 CG ASN A 85 -8.212 -4.706 8.718 1.00 0.00 C ATOM 1364 OD1 ASN A 85 -8.894 -3.904 9.357 1.00 0.00 O ATOM 1365 ND2 ASN A 85 -7.711 -5.811 9.257 1.00 0.00 N ATOM 0 H ASN A 85 -10.026 -3.230 7.457 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.331 -2.407 7.457 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -8.581 -5.064 6.640 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.892 -4.814 7.036 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -7.886 -6.024 10.239 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -7.151 -6.447 8.689 1.00 0.00 H new ATOM 1372 N CYS A 86 -8.383 -3.541 4.525 1.00 0.00 N ATOM 1373 CA CYS A 86 -8.147 -3.463 3.087 1.00 0.00 C ATOM 1374 C CYS A 86 -8.027 -2.012 2.633 1.00 0.00 C ATOM 1375 O CYS A 86 -7.088 -1.648 1.925 1.00 0.00 O ATOM 1376 CB CYS A 86 -9.276 -4.157 2.325 1.00 0.00 C ATOM 1377 SG CYS A 86 -9.619 -5.842 2.886 1.00 0.00 S ATOM 0 H CYS A 86 -9.123 -4.189 4.796 1.00 0.00 H new ATOM 0 HA CYS A 86 -7.207 -3.971 2.871 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -10.184 -3.562 2.421 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -9.022 -4.183 1.265 1.00 0.00 H new ATOM 0 HG CYS A 86 -9.757 -6.623 1.856 1.00 0.00 H new ATOM 1383 N ILE A 87 -8.986 -1.188 3.044 1.00 0.00 N ATOM 1384 CA ILE A 87 -8.988 0.223 2.679 1.00 0.00 C ATOM 1385 C ILE A 87 -7.613 0.847 2.890 1.00 0.00 C ATOM 1386 O ILE A 87 -7.055 1.466 1.984 1.00 0.00 O ATOM 1387 CB ILE A 87 -10.029 1.013 3.494 1.00 0.00 C ATOM 1388 CG1 ILE A 87 -11.442 0.528 3.164 1.00 0.00 C ATOM 1389 CG2 ILE A 87 -9.896 2.504 3.217 1.00 0.00 C ATOM 1390 CD1 ILE A 87 -12.454 0.837 4.245 1.00 0.00 C ATOM 0 H ILE A 87 -9.771 -1.474 3.630 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.250 0.276 1.622 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.846 0.842 4.555 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -11.767 0.988 2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.418 -0.549 2.997 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.638 3.050 3.800 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.897 2.838 3.497 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -10.058 2.693 2.156 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -13.433 0.465 3.944 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -12.152 0.354 5.175 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -12.507 1.915 4.397 1.00 0.00 H new ATOM 1402 N GLY A 88 -7.070 0.679 4.092 1.00 0.00 N ATOM 1403 CA GLY A 88 -5.764 1.231 4.400 1.00 0.00 C ATOM 1404 C GLY A 88 -4.674 0.675 3.504 1.00 0.00 C ATOM 1405 O GLY A 88 -3.759 1.398 3.107 1.00 0.00 O ATOM 0 H GLY A 88 -7.512 0.170 4.858 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -5.798 2.316 4.296 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.519 1.018 5.440 1.00 0.00 H new ATOM 1409 N ARG A 89 -4.771 -0.611 3.185 1.00 0.00 N ATOM 1410 CA ARG A 89 -3.784 -1.263 2.332 1.00 0.00 C ATOM 1411 C ARG A 89 -3.734 -0.604 0.957 1.00 0.00 C ATOM 1412 O ARG A 89 -2.656 -0.373 0.408 1.00 0.00 O ATOM 1413 CB ARG A 89 -4.109 -2.751 2.186 1.00 0.00 C ATOM 1414 CG ARG A 89 -3.785 -3.570 3.424 1.00 0.00 C ATOM 1415 CD ARG A 89 -2.324 -3.989 3.449 1.00 0.00 C ATOM 1416 NE ARG A 89 -1.890 -4.385 4.786 1.00 0.00 N ATOM 1417 CZ ARG A 89 -0.829 -5.149 5.018 1.00 0.00 C ATOM 1418 NH1 ARG A 89 -0.096 -5.597 4.007 1.00 0.00 N ATOM 1419 NH2 ARG A 89 -0.498 -5.467 6.263 1.00 0.00 N ATOM 0 H ARG A 89 -5.523 -1.222 3.504 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.806 -1.156 2.802 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -5.168 -2.862 1.955 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.554 -3.154 1.339 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.013 -2.987 4.317 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.419 -4.456 3.451 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.173 -4.819 2.759 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.705 -3.164 3.096 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.432 -4.057 5.586 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.347 -5.355 3.048 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.718 -6.184 4.188 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.059 -5.125 7.043 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.317 -6.054 6.440 1.00 0.00 H new ATOM 1433 N ILE A 90 -4.906 -0.306 0.406 1.00 0.00 N ATOM 1434 CA ILE A 90 -4.995 0.326 -0.904 1.00 0.00 C ATOM 1435 C ILE A 90 -4.727 1.824 -0.811 1.00 0.00 C ATOM 1436 O ILE A 90 -3.818 2.345 -1.458 1.00 0.00 O ATOM 1437 CB ILE A 90 -6.377 0.101 -1.545 1.00 0.00 C ATOM 1438 CG1 ILE A 90 -6.733 -1.387 -1.533 1.00 0.00 C ATOM 1439 CG2 ILE A 90 -6.397 0.644 -2.966 1.00 0.00 C ATOM 1440 CD1 ILE A 90 -8.168 -1.668 -1.919 1.00 0.00 C ATOM 0 H ILE A 90 -5.807 -0.492 0.847 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.234 -0.138 -1.531 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.124 0.639 -0.961 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.071 -1.916 -2.218 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.548 -1.789 -0.537 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.381 0.477 -3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.183 1.713 -2.950 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.642 0.132 -3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.349 -2.742 -1.889 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.838 -1.167 -1.220 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.353 -1.297 -2.927 1.00 0.00 H new ATOM 1452 N HIS A 91 -5.525 2.513 0.000 1.00 0.00 N ATOM 1453 CA HIS A 91 -5.373 3.952 0.181 1.00 0.00 C ATOM 1454 C HIS A 91 -3.915 4.315 0.447 1.00 0.00 C ATOM 1455 O HIS A 91 -3.337 5.155 -0.245 1.00 0.00 O ATOM 1456 CB HIS A 91 -6.251 4.438 1.335 1.00 0.00 C ATOM 1457 CG HIS A 91 -6.521 5.911 1.302 1.00 0.00 C ATOM 1458 ND1 HIS A 91 -5.734 6.835 1.955 1.00 0.00 N ATOM 1459 CD2 HIS A 91 -7.499 6.618 0.688 1.00 0.00 C ATOM 1460 CE1 HIS A 91 -6.216 8.047 1.746 1.00 0.00 C ATOM 1461 NE2 HIS A 91 -7.287 7.943 0.980 1.00 0.00 N ATOM 0 H HIS A 91 -6.283 2.098 0.542 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.690 4.444 -0.738 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -7.200 3.902 1.310 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.768 4.186 2.279 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.297 6.215 0.082 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -5.804 8.966 2.135 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -7.863 8.721 0.658 1.00 0.00 H new ATOM 1469 N THR A 92 -3.326 3.679 1.454 1.00 0.00 N ATOM 1470 CA THR A 92 -1.937 3.936 1.813 1.00 0.00 C ATOM 1471 C THR A 92 -1.009 3.698 0.627 1.00 0.00 C ATOM 1472 O THR A 92 -0.357 4.622 0.140 1.00 0.00 O ATOM 1473 CB THR A 92 -1.487 3.050 2.989 1.00 0.00 C ATOM 1474 OG1 THR A 92 -2.266 3.346 4.153 1.00 0.00 O ATOM 1475 CG2 THR A 92 -0.011 3.262 3.293 1.00 0.00 C ATOM 0 H THR A 92 -3.790 2.981 2.036 1.00 0.00 H new ATOM 0 HA THR A 92 -1.877 4.982 2.113 1.00 0.00 H new ATOM 0 HB THR A 92 -1.638 2.008 2.707 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.045 2.752 4.185 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.284 2.625 4.127 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.582 3.007 2.415 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.160 4.306 3.555 1.00 0.00 H new ATOM 1483 N TYR A 93 -0.955 2.453 0.166 1.00 0.00 N ATOM 1484 CA TYR A 93 -0.106 2.093 -0.963 1.00 0.00 C ATOM 1485 C TYR A 93 -0.163 3.161 -2.051 1.00 0.00 C ATOM 1486 O TYR A 93 0.820 3.859 -2.304 1.00 0.00 O ATOM 1487 CB TYR A 93 -0.532 0.741 -1.538 1.00 0.00 C ATOM 1488 CG TYR A 93 0.144 0.399 -2.846 1.00 0.00 C ATOM 1489 CD1 TYR A 93 1.530 0.397 -2.955 1.00 0.00 C ATOM 1490 CD2 TYR A 93 -0.602 0.079 -3.974 1.00 0.00 C ATOM 1491 CE1 TYR A 93 2.152 0.086 -4.149 1.00 0.00 C ATOM 1492 CE2 TYR A 93 0.012 -0.235 -5.171 1.00 0.00 C ATOM 1493 CZ TYR A 93 1.389 -0.230 -5.253 1.00 0.00 C ATOM 1494 OH TYR A 93 2.004 -0.541 -6.445 1.00 0.00 O ATOM 0 H TYR A 93 -1.489 1.677 0.557 1.00 0.00 H new ATOM 0 HA TYR A 93 0.920 2.021 -0.604 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -0.312 -0.040 -0.810 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.612 0.743 -1.686 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.131 0.643 -2.092 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.680 0.076 -3.914 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.230 0.090 -4.217 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -0.583 -0.483 -6.038 1.00 0.00 H new ATOM 0 HH TYR A 93 2.262 -1.486 -6.443 1.00 0.00 H new ATOM 1504 N LEU A 94 -1.321 3.283 -2.691 1.00 0.00 N ATOM 1505 CA LEU A 94 -1.509 4.266 -3.752 1.00 0.00 C ATOM 1506 C LEU A 94 -0.856 5.595 -3.384 1.00 0.00 C ATOM 1507 O LEU A 94 -0.378 6.324 -4.253 1.00 0.00 O ATOM 1508 CB LEU A 94 -3.000 4.475 -4.023 1.00 0.00 C ATOM 1509 CG LEU A 94 -3.794 3.224 -4.403 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -5.258 3.387 -4.028 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -3.652 2.935 -5.890 1.00 0.00 C ATOM 0 H LEU A 94 -2.144 2.713 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.032 3.885 -4.655 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.453 4.912 -3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.104 5.205 -4.826 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.390 2.377 -3.848 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.807 2.487 -4.306 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.343 3.546 -2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.676 4.244 -4.556 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.223 2.042 -6.143 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.030 3.782 -6.463 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.601 2.774 -6.131 1.00 0.00 H new ATOM 1523 N GLU A 95 -0.840 5.903 -2.091 1.00 0.00 N ATOM 1524 CA GLU A 95 -0.244 7.144 -1.609 1.00 0.00 C ATOM 1525 C GLU A 95 1.277 7.035 -1.562 1.00 0.00 C ATOM 1526 O GLU A 95 1.989 8.006 -1.823 1.00 0.00 O ATOM 1527 CB GLU A 95 -0.785 7.489 -0.220 1.00 0.00 C ATOM 1528 CG GLU A 95 -0.538 8.932 0.188 1.00 0.00 C ATOM 1529 CD GLU A 95 -1.224 9.295 1.490 1.00 0.00 C ATOM 1530 OE1 GLU A 95 -1.462 8.385 2.311 1.00 0.00 O ATOM 1531 OE2 GLU A 95 -1.523 10.492 1.688 1.00 0.00 O ATOM 0 H GLU A 95 -1.232 5.311 -1.359 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.512 7.940 -2.304 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.857 7.292 -0.198 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.324 6.829 0.515 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.534 9.099 0.288 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.892 9.595 -0.602 1.00 0.00 H new ATOM 1538 N LEU A 96 1.769 5.848 -1.227 1.00 0.00 N ATOM 1539 CA LEU A 96 3.206 5.611 -1.145 1.00 0.00 C ATOM 1540 C LEU A 96 3.845 5.649 -2.530 1.00 0.00 C ATOM 1541 O LEU A 96 4.962 6.139 -2.695 1.00 0.00 O ATOM 1542 CB LEU A 96 3.483 4.261 -0.480 1.00 0.00 C ATOM 1543 CG LEU A 96 2.868 4.056 0.904 1.00 0.00 C ATOM 1544 CD1 LEU A 96 3.410 2.789 1.547 1.00 0.00 C ATOM 1545 CD2 LEU A 96 3.136 5.263 1.792 1.00 0.00 C ATOM 0 H LEU A 96 1.194 5.034 -1.008 1.00 0.00 H new ATOM 0 HA LEU A 96 3.646 6.404 -0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.118 3.473 -1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.562 4.133 -0.398 1.00 0.00 H new ATOM 0 HG LEU A 96 1.790 3.948 0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.961 2.660 2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.166 1.930 0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.492 2.867 1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.691 5.099 2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.211 5.403 1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.698 6.152 1.339 1.00 0.00 H new ATOM 1557 N ILE A 97 3.127 5.130 -3.520 1.00 0.00 N ATOM 1558 CA ILE A 97 3.622 5.108 -4.891 1.00 0.00 C ATOM 1559 C ILE A 97 3.474 6.475 -5.551 1.00 0.00 C ATOM 1560 O ILE A 97 4.215 6.815 -6.472 1.00 0.00 O ATOM 1561 CB ILE A 97 2.882 4.058 -5.740 1.00 0.00 C ATOM 1562 CG1 ILE A 97 1.382 4.096 -5.444 1.00 0.00 C ATOM 1563 CG2 ILE A 97 3.446 2.670 -5.475 1.00 0.00 C ATOM 1564 CD1 ILE A 97 0.547 3.343 -6.456 1.00 0.00 C ATOM 0 H ILE A 97 2.201 4.719 -3.399 1.00 0.00 H new ATOM 0 HA ILE A 97 4.678 4.844 -4.841 1.00 0.00 H new ATOM 0 HB ILE A 97 3.030 4.294 -6.794 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.205 3.676 -4.454 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.052 5.134 -5.413 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.913 1.939 -6.082 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.505 2.652 -5.732 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.325 2.423 -4.420 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.506 3.413 -6.183 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.695 3.777 -7.445 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.850 2.296 -6.470 1.00 0.00 H new ATOM 1576 N GLY A 98 2.511 7.257 -5.072 1.00 0.00 N ATOM 1577 CA GLY A 98 2.284 8.579 -5.625 1.00 0.00 C ATOM 1578 C GLY A 98 1.009 8.654 -6.443 1.00 0.00 C ATOM 1579 O GLY A 98 0.440 9.730 -6.620 1.00 0.00 O ATOM 0 H GLY A 98 1.884 6.998 -4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.235 9.305 -4.814 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.131 8.858 -6.252 1.00 0.00 H new ATOM 1583 N ALA A 99 0.561 7.507 -6.943 1.00 0.00 N ATOM 1584 CA ALA A 99 -0.655 7.448 -7.745 1.00 0.00 C ATOM 1585 C ALA A 99 -1.682 8.466 -7.262 1.00 0.00 C ATOM 1586 O ALA A 99 -2.396 9.069 -8.064 1.00 0.00 O ATOM 1587 CB ALA A 99 -1.242 6.045 -7.710 1.00 0.00 C ATOM 0 H ALA A 99 1.021 6.607 -6.807 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.394 7.696 -8.774 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.150 6.015 -8.313 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.517 5.337 -8.111 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.481 5.776 -6.681 1.00 0.00 H new ATOM 1593 N ILE A 100 -1.752 8.651 -5.948 1.00 0.00 N ATOM 1594 CA ILE A 100 -2.692 9.596 -5.360 1.00 0.00 C ATOM 1595 C ILE A 100 -1.991 10.529 -4.377 1.00 0.00 C ATOM 1596 O ILE A 100 -0.877 10.256 -3.934 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.839 8.870 -4.632 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -3.280 7.942 -3.552 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -4.685 8.088 -5.625 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -4.320 7.478 -2.556 1.00 0.00 C ATOM 0 H ILE A 100 -1.169 8.159 -5.271 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.106 10.181 -6.181 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.474 9.614 -4.151 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.832 7.071 -4.030 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.482 8.458 -3.018 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.491 7.580 -5.096 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.108 8.772 -6.361 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.063 7.350 -6.131 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.853 6.824 -1.820 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.751 8.342 -2.051 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.106 6.933 -3.078 1.00 0.00 H new ATOM 1612 N ASN A 101 -2.654 11.631 -4.041 1.00 0.00 N ATOM 1613 CA ASN A 101 -2.095 12.604 -3.109 1.00 0.00 C ATOM 1614 C ASN A 101 -0.584 12.717 -3.282 1.00 0.00 C ATOM 1615 O ASN A 101 0.166 12.705 -2.305 1.00 0.00 O ATOM 1616 CB ASN A 101 -2.428 12.211 -1.668 1.00 0.00 C ATOM 1617 CG ASN A 101 -3.865 11.753 -1.511 1.00 0.00 C ATOM 1618 OD1 ASN A 101 -4.765 12.255 -2.183 1.00 0.00 O ATOM 1619 ND2 ASN A 101 -4.085 10.794 -0.619 1.00 0.00 N ATOM 0 H ASN A 101 -3.578 11.872 -4.400 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.541 13.575 -3.325 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.758 11.413 -1.348 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -2.247 13.062 -1.011 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.031 10.444 -0.469 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -3.308 10.407 -0.084 1.00 0.00 H new ATOM 1626 N PHE A 102 -0.143 12.826 -4.531 1.00 0.00 N ATOM 1627 CA PHE A 102 1.280 12.941 -4.832 1.00 0.00 C ATOM 1628 C PHE A 102 1.855 14.232 -4.256 1.00 0.00 C ATOM 1629 O PHE A 102 1.261 15.301 -4.386 1.00 0.00 O ATOM 1630 CB PHE A 102 1.507 12.897 -6.344 1.00 0.00 C ATOM 1631 CG PHE A 102 2.941 13.107 -6.741 1.00 0.00 C ATOM 1632 CD1 PHE A 102 3.922 12.214 -6.342 1.00 0.00 C ATOM 1633 CD2 PHE A 102 3.307 14.198 -7.513 1.00 0.00 C ATOM 1634 CE1 PHE A 102 5.242 12.404 -6.705 1.00 0.00 C ATOM 1635 CE2 PHE A 102 4.625 14.393 -7.880 1.00 0.00 C ATOM 1636 CZ PHE A 102 5.594 13.496 -7.475 1.00 0.00 C ATOM 0 H PHE A 102 -0.750 12.837 -5.351 1.00 0.00 H new ATOM 0 HA PHE A 102 1.794 12.098 -4.370 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.170 11.933 -6.726 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.891 13.661 -6.818 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.652 11.359 -5.740 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.554 14.904 -7.831 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.997 11.700 -6.387 1.00 0.00 H new ATOM 0 HE2 PHE A 102 4.897 15.246 -8.483 1.00 0.00 H new ATOM 0 HZ PHE A 102 6.625 13.648 -7.760 1.00 0.00 H new ATOM 1646 N GLY A 103 3.017 14.122 -3.619 1.00 0.00 N ATOM 1647 CA GLY A 103 3.654 15.286 -3.032 1.00 0.00 C ATOM 1648 C GLY A 103 2.666 16.193 -2.325 1.00 0.00 C ATOM 1649 O GLY A 103 2.445 17.329 -2.745 1.00 0.00 O ATOM 0 H GLY A 103 3.528 13.248 -3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.416 14.961 -2.323 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.165 15.849 -3.813 1.00 0.00 H new ATOM 1653 N CYS A 104 2.071 15.690 -1.249 1.00 0.00 N ATOM 1654 CA CYS A 104 1.099 16.462 -0.483 1.00 0.00 C ATOM 1655 C CYS A 104 1.512 16.556 0.982 1.00 0.00 C ATOM 1656 O CYS A 104 1.933 15.568 1.583 1.00 0.00 O ATOM 1657 CB CYS A 104 -0.289 15.828 -0.594 1.00 0.00 C ATOM 1658 SG CYS A 104 -1.123 16.147 -2.166 1.00 0.00 S ATOM 0 H CYS A 104 2.244 14.752 -0.888 1.00 0.00 H new ATOM 0 HA CYS A 104 1.065 17.469 -0.898 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -0.197 14.751 -0.456 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -0.913 16.201 0.218 1.00 0.00 H new ATOM 0 HG CYS A 104 -0.319 15.866 -3.148 1.00 0.00 H new ATOM 1664 N GLU A 105 1.392 17.752 1.550 1.00 0.00 N ATOM 1665 CA GLU A 105 1.756 17.975 2.944 1.00 0.00 C ATOM 1666 C GLU A 105 0.986 17.033 3.865 1.00 0.00 C ATOM 1667 O GLU A 105 1.337 16.867 5.033 1.00 0.00 O ATOM 1668 CB GLU A 105 1.483 19.428 3.340 1.00 0.00 C ATOM 1669 CG GLU A 105 0.128 19.939 2.881 1.00 0.00 C ATOM 1670 CD GLU A 105 0.174 20.549 1.493 1.00 0.00 C ATOM 1671 OE1 GLU A 105 1.231 21.100 1.121 1.00 0.00 O ATOM 1672 OE2 GLU A 105 -0.848 20.474 0.779 1.00 0.00 O ATOM 0 H GLU A 105 1.046 18.581 1.066 1.00 0.00 H new ATOM 0 HA GLU A 105 2.821 17.770 3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.548 19.519 4.424 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.263 20.063 2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.588 19.117 2.889 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -0.234 20.684 3.589 1.00 0.00 H new ATOM 1679 N GLN A 106 -0.064 16.419 3.330 1.00 0.00 N ATOM 1680 CA GLN A 106 -0.884 15.495 4.104 1.00 0.00 C ATOM 1681 C GLN A 106 -0.547 14.048 3.759 1.00 0.00 C ATOM 1682 O GLN A 106 -1.355 13.144 3.971 1.00 0.00 O ATOM 1683 CB GLN A 106 -2.369 15.759 3.847 1.00 0.00 C ATOM 1684 CG GLN A 106 -2.977 16.783 4.793 1.00 0.00 C ATOM 1685 CD GLN A 106 -4.252 17.396 4.248 1.00 0.00 C ATOM 1686 OE1 GLN A 106 -5.330 16.809 4.351 1.00 0.00 O ATOM 1687 NE2 GLN A 106 -4.136 18.582 3.663 1.00 0.00 N ATOM 0 H GLN A 106 -0.367 16.545 2.364 1.00 0.00 H new ATOM 0 HA GLN A 106 -0.670 15.658 5.160 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.496 16.104 2.821 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.917 14.821 3.938 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -3.188 16.307 5.751 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -2.251 17.573 4.983 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -3.223 19.032 3.600 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -4.960 19.043 3.277 1.00 0.00 H new ATOM 1696 N ALA A 107 0.652 13.836 3.227 1.00 0.00 N ATOM 1697 CA ALA A 107 1.097 12.499 2.854 1.00 0.00 C ATOM 1698 C ALA A 107 1.523 11.700 4.081 1.00 0.00 C ATOM 1699 O ALA A 107 2.192 12.223 4.973 1.00 0.00 O ATOM 1700 CB ALA A 107 2.241 12.583 1.854 1.00 0.00 C ATOM 0 H ALA A 107 1.333 14.573 3.045 1.00 0.00 H new ATOM 0 HA ALA A 107 0.259 11.981 2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 107 2.563 11.577 1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.905 13.108 0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 107 3.075 13.124 2.300 1.00 0.00 H new ATOM 1706 N VAL A 108 1.130 10.431 4.121 1.00 0.00 N ATOM 1707 CA VAL A 108 1.471 9.560 5.239 1.00 0.00 C ATOM 1708 C VAL A 108 2.979 9.512 5.458 1.00 0.00 C ATOM 1709 O VAL A 108 3.450 9.449 6.594 1.00 0.00 O ATOM 1710 CB VAL A 108 0.950 8.128 5.015 1.00 0.00 C ATOM 1711 CG1 VAL A 108 1.407 7.599 3.664 1.00 0.00 C ATOM 1712 CG2 VAL A 108 1.409 7.212 6.139 1.00 0.00 C ATOM 0 H VAL A 108 0.575 9.983 3.392 1.00 0.00 H new ATOM 0 HA VAL A 108 0.991 9.979 6.124 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.140 8.152 5.019 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.030 6.586 3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.023 8.243 2.872 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.496 7.589 3.627 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.032 6.204 5.964 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.498 7.191 6.170 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.026 7.583 7.090 1.00 0.00 H new ATOM 1722 N TYR A 109 3.731 9.542 4.364 1.00 0.00 N ATOM 1723 CA TYR A 109 5.187 9.499 4.436 1.00 0.00 C ATOM 1724 C TYR A 109 5.753 10.864 4.816 1.00 0.00 C ATOM 1725 O TYR A 109 6.716 10.958 5.577 1.00 0.00 O ATOM 1726 CB TYR A 109 5.771 9.047 3.096 1.00 0.00 C ATOM 1727 CG TYR A 109 5.151 9.736 1.902 1.00 0.00 C ATOM 1728 CD1 TYR A 109 3.997 9.239 1.309 1.00 0.00 C ATOM 1729 CD2 TYR A 109 5.719 10.886 1.366 1.00 0.00 C ATOM 1730 CE1 TYR A 109 3.428 9.865 0.217 1.00 0.00 C ATOM 1731 CE2 TYR A 109 5.156 11.519 0.275 1.00 0.00 C ATOM 1732 CZ TYR A 109 4.011 11.004 -0.296 1.00 0.00 C ATOM 1733 OH TYR A 109 3.446 11.632 -1.383 1.00 0.00 O ATOM 0 H TYR A 109 3.357 9.596 3.417 1.00 0.00 H new ATOM 0 HA TYR A 109 5.467 8.782 5.207 1.00 0.00 H new ATOM 0 HB2 TYR A 109 6.845 9.234 3.096 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.635 7.970 2.995 1.00 0.00 H new ATOM 0 HD1 TYR A 109 3.537 8.348 1.709 1.00 0.00 H new ATOM 0 HD2 TYR A 109 6.616 11.292 1.810 1.00 0.00 H new ATOM 0 HE1 TYR A 109 2.531 9.464 -0.232 1.00 0.00 H new ATOM 0 HE2 TYR A 109 5.610 12.412 -0.129 1.00 0.00 H new ATOM 0 HH TYR A 109 3.979 12.420 -1.619 1.00 0.00 H new ATOM 1743 N ASN A 110 5.147 11.919 4.281 1.00 0.00 N ATOM 1744 CA ASN A 110 5.590 13.279 4.564 1.00 0.00 C ATOM 1745 C ASN A 110 5.591 13.550 6.065 1.00 0.00 C ATOM 1746 O ASN A 110 6.433 14.292 6.572 1.00 0.00 O ATOM 1747 CB ASN A 110 4.688 14.290 3.852 1.00 0.00 C ATOM 1748 CG ASN A 110 5.163 14.597 2.445 1.00 0.00 C ATOM 1749 OD1 ASN A 110 5.631 13.712 1.729 1.00 0.00 O ATOM 1750 ND2 ASN A 110 5.043 15.857 2.043 1.00 0.00 N ATOM 0 H ASN A 110 4.348 11.858 3.649 1.00 0.00 H new ATOM 0 HA ASN A 110 6.609 13.387 4.193 1.00 0.00 H new ATOM 0 HB2 ASN A 110 3.671 13.901 3.812 1.00 0.00 H new ATOM 0 HB3 ASN A 110 4.654 15.213 4.431 1.00 0.00 H new ATOM 0 HD21 ASN A 110 5.345 16.124 1.106 1.00 0.00 H new ATOM 0 HD22 ASN A 110 4.649 16.557 2.671 1.00 0.00 H new ATOM 1757 N ARG A 111 4.642 12.944 6.771 1.00 0.00 N ATOM 1758 CA ARG A 111 4.532 13.120 8.214 1.00 0.00 C ATOM 1759 C ARG A 111 5.913 13.231 8.855 1.00 0.00 C ATOM 1760 O ARG A 111 6.882 12.648 8.368 1.00 0.00 O ATOM 1761 CB ARG A 111 3.763 11.952 8.835 1.00 0.00 C ATOM 1762 CG ARG A 111 2.294 11.914 8.443 1.00 0.00 C ATOM 1763 CD ARG A 111 1.472 12.892 9.269 1.00 0.00 C ATOM 1764 NE ARG A 111 1.178 12.372 10.601 1.00 0.00 N ATOM 1765 CZ ARG A 111 0.617 13.094 11.565 1.00 0.00 C ATOM 1766 NH1 ARG A 111 0.291 14.360 11.345 1.00 0.00 N ATOM 1767 NH2 ARG A 111 0.381 12.549 12.751 1.00 0.00 N ATOM 0 H ARG A 111 3.938 12.327 6.367 1.00 0.00 H new ATOM 0 HA ARG A 111 3.987 14.045 8.401 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.235 11.016 8.535 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.839 12.014 9.921 1.00 0.00 H new ATOM 0 HG2 ARG A 111 2.192 12.154 7.385 1.00 0.00 H new ATOM 0 HG3 ARG A 111 1.906 10.905 8.579 1.00 0.00 H new ATOM 0 HD2 ARG A 111 2.013 13.834 9.359 1.00 0.00 H new ATOM 0 HD3 ARG A 111 0.538 13.109 8.750 1.00 0.00 H new ATOM 0 HE ARG A 111 1.416 11.401 10.803 1.00 0.00 H new ATOM 0 HH11 ARG A 111 0.471 14.782 10.434 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -0.140 14.912 12.087 1.00 0.00 H new ATOM 0 HH21 ARG A 111 0.630 11.575 12.923 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -0.050 13.104 13.491 1.00 0.00 H new