USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 820 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.639) USER MOD Single : A 18 GLN : amide:sc= -1.13 X(o=-1.1,f=-1.4) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= -3.43 K(o=-3.4,f=-9.1!) USER MOD Single : A 32 LYS NZ :NH3+ -166:sc= 0.352 (180deg=0.272) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.714 K(o=-0.71,f=-2.6) USER MOD Single : A 45 LYS NZ :NH3+ -110:sc= -0.17 (180deg=-3.97!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0531 USER MOD Single : A 50 TYR OH : rot 180:sc= -0.022 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -2.33 K(o=-2.3,f=-6.4!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -2 K(o=-2,f=-1.2) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot -17:sc= 0.929 USER MOD Single : A 70 ASN : amide:sc= -0.0414 X(o=-0.041,f=-0.041) USER MOD Single : A 71 LYS NZ :NH3+ 145:sc= -1.45 (180deg=-2.61!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -29:sc= 0.0336 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -1.65! C(o=-1.6!,f=-6.2!) USER MOD Single : A 81 CYS SG : rot -140:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -1.03! K(o=-1!,f=-0.073) USER MOD Single : A 86 CYS SG : rot -124:sc= 0.232 USER MOD Single : A 91 HIS : no HD1:sc= -0.0848 X(o=-0.085,f=-0.094) USER MOD Single : A 92 THR OG1 : rot 96:sc= 1.22 USER MOD Single : A 93 TYR OH : rot 40:sc= -0.114 USER MOD Single : A 101 ASN : amide:sc= -1.88! C(o=-1.9!,f=-3.1!) USER MOD Single : A 104 CYS SG : rot 166:sc= -3.68! USER MOD Single : A 106 GLN : amide:sc= -0.234 X(o=-0.23,f=0) USER MOD Single : A 109 TYR OH : rot 148:sc= 0.75 USER MOD Single : A 110 ASN : amide:sc= -2.47! K(o=-2.5!,f=-3) USER MOD ----------------------------------------------------------------- ATOM 143 N LEU A 13 9.277 2.235 5.062 1.00 0.00 N ATOM 144 CA LEU A 13 8.416 3.175 4.353 1.00 0.00 C ATOM 145 C LEU A 13 9.245 4.181 3.560 1.00 0.00 C ATOM 146 O LEU A 13 10.283 4.651 4.025 1.00 0.00 O ATOM 147 CB LEU A 13 7.509 3.911 5.340 1.00 0.00 C ATOM 148 CG LEU A 13 6.216 3.192 5.727 1.00 0.00 C ATOM 149 CD1 LEU A 13 5.526 3.914 6.874 1.00 0.00 C ATOM 150 CD2 LEU A 13 5.286 3.084 4.527 1.00 0.00 C ATOM 0 HA LEU A 13 7.799 2.609 3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.078 4.107 6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.249 4.879 4.911 1.00 0.00 H new ATOM 0 HG LEU A 13 6.469 2.185 6.058 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.608 3.388 7.135 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.189 3.939 7.739 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.286 4.933 6.571 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.371 2.570 4.821 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.041 4.083 4.166 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.779 2.522 3.734 1.00 0.00 H new ATOM 162 N LYS A 14 8.778 4.509 2.360 1.00 0.00 N ATOM 163 CA LYS A 14 9.472 5.461 1.502 1.00 0.00 C ATOM 164 C LYS A 14 8.500 6.140 0.543 1.00 0.00 C ATOM 165 O LYS A 14 7.657 5.496 -0.083 1.00 0.00 O ATOM 166 CB LYS A 14 10.577 4.756 0.711 1.00 0.00 C ATOM 167 CG LYS A 14 11.504 5.710 -0.022 1.00 0.00 C ATOM 168 CD LYS A 14 12.194 5.029 -1.192 1.00 0.00 C ATOM 169 CE LYS A 14 13.420 4.251 -0.740 1.00 0.00 C ATOM 170 NZ LYS A 14 13.064 2.895 -0.240 1.00 0.00 N ATOM 0 H LYS A 14 7.920 4.129 1.960 1.00 0.00 H new ATOM 0 HA LYS A 14 9.920 6.225 2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.166 4.143 1.393 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.120 4.080 -0.012 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.935 6.567 -0.383 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.253 6.094 0.670 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.495 4.354 -1.685 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.488 5.777 -1.928 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.119 4.159 -1.572 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.932 4.805 0.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.859 2.245 -0.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.860 2.943 0.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.224 2.548 -0.745 1.00 0.00 H new ATOM 184 N PRO A 15 8.618 7.470 0.421 1.00 0.00 N ATOM 185 CA PRO A 15 7.759 8.264 -0.462 1.00 0.00 C ATOM 186 C PRO A 15 8.046 8.005 -1.937 1.00 0.00 C ATOM 187 O PRO A 15 9.103 7.493 -2.308 1.00 0.00 O ATOM 188 CB PRO A 15 8.109 9.708 -0.095 1.00 0.00 C ATOM 189 CG PRO A 15 9.495 9.635 0.448 1.00 0.00 C ATOM 190 CD PRO A 15 9.600 8.302 1.136 1.00 0.00 C ATOM 0 HA PRO A 15 6.705 8.020 -0.331 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.059 10.361 -0.966 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.415 10.108 0.644 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.232 9.721 -0.350 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.684 10.451 1.146 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.606 7.890 1.061 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.365 8.378 2.198 1.00 0.00 H new ATOM 198 N PRO A 16 7.086 8.367 -2.801 1.00 0.00 N ATOM 199 CA PRO A 16 7.215 8.184 -4.250 1.00 0.00 C ATOM 200 C PRO A 16 8.253 9.118 -4.862 1.00 0.00 C ATOM 201 O PRO A 16 8.623 10.127 -4.263 1.00 0.00 O ATOM 202 CB PRO A 16 5.817 8.522 -4.775 1.00 0.00 C ATOM 203 CG PRO A 16 5.236 9.432 -3.749 1.00 0.00 C ATOM 204 CD PRO A 16 5.801 8.983 -2.430 1.00 0.00 C ATOM 0 HA PRO A 16 7.551 7.179 -4.506 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.867 9.006 -5.750 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.212 7.624 -4.895 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.500 10.470 -3.954 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.148 9.374 -3.747 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.939 9.820 -1.746 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.143 8.271 -1.932 1.00 0.00 H new ATOM 212 N GLU A 17 8.720 8.773 -6.058 1.00 0.00 N ATOM 213 CA GLU A 17 9.716 9.582 -6.751 1.00 0.00 C ATOM 214 C GLU A 17 9.057 10.493 -7.782 1.00 0.00 C ATOM 215 O GLU A 17 9.459 11.643 -7.955 1.00 0.00 O ATOM 216 CB GLU A 17 10.749 8.683 -7.434 1.00 0.00 C ATOM 217 CG GLU A 17 11.601 7.886 -6.461 1.00 0.00 C ATOM 218 CD GLU A 17 12.382 6.778 -7.141 1.00 0.00 C ATOM 219 OE1 GLU A 17 11.748 5.904 -7.769 1.00 0.00 O ATOM 220 OE2 GLU A 17 13.627 6.785 -7.046 1.00 0.00 O ATOM 0 H GLU A 17 8.425 7.940 -6.567 1.00 0.00 H new ATOM 0 HA GLU A 17 10.219 10.205 -6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.233 7.993 -8.101 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.400 9.299 -8.054 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.295 8.558 -5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.960 7.455 -5.692 1.00 0.00 H new ATOM 227 N GLN A 18 8.044 9.970 -8.464 1.00 0.00 N ATOM 228 CA GLN A 18 7.330 10.735 -9.478 1.00 0.00 C ATOM 229 C GLN A 18 5.977 10.102 -9.787 1.00 0.00 C ATOM 230 O GLN A 18 5.826 8.882 -9.732 1.00 0.00 O ATOM 231 CB GLN A 18 8.164 10.831 -10.757 1.00 0.00 C ATOM 232 CG GLN A 18 8.388 9.490 -11.438 1.00 0.00 C ATOM 233 CD GLN A 18 9.377 8.615 -10.694 1.00 0.00 C ATOM 234 OE1 GLN A 18 10.539 8.981 -10.519 1.00 0.00 O ATOM 235 NE2 GLN A 18 8.919 7.450 -10.249 1.00 0.00 N ATOM 0 H GLN A 18 7.699 9.019 -8.333 1.00 0.00 H new ATOM 0 HA GLN A 18 7.161 11.738 -9.086 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.668 11.505 -11.455 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.131 11.274 -10.518 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.436 8.966 -11.521 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.749 9.658 -12.453 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.948 7.186 -10.416 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.538 6.819 -9.740 1.00 0.00 H new ATOM 244 N GLU A 19 4.997 10.940 -10.110 1.00 0.00 N ATOM 245 CA GLU A 19 3.656 10.461 -10.425 1.00 0.00 C ATOM 246 C GLU A 19 3.715 9.242 -11.341 1.00 0.00 C ATOM 247 O GLU A 19 4.418 9.246 -12.352 1.00 0.00 O ATOM 248 CB GLU A 19 2.836 11.571 -11.087 1.00 0.00 C ATOM 249 CG GLU A 19 1.456 11.122 -11.538 1.00 0.00 C ATOM 250 CD GLU A 19 0.703 12.209 -12.279 1.00 0.00 C ATOM 251 OE1 GLU A 19 0.192 13.135 -11.615 1.00 0.00 O ATOM 252 OE2 GLU A 19 0.623 12.134 -13.523 1.00 0.00 O ATOM 0 H GLU A 19 5.106 11.953 -10.160 1.00 0.00 H new ATOM 0 HA GLU A 19 3.173 10.170 -9.492 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.728 12.399 -10.386 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.385 11.952 -11.949 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.555 10.249 -12.183 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.877 10.812 -10.668 1.00 0.00 H new ATOM 259 N ILE A 20 2.973 8.201 -10.980 1.00 0.00 N ATOM 260 CA ILE A 20 2.941 6.976 -11.769 1.00 0.00 C ATOM 261 C ILE A 20 1.616 6.835 -12.511 1.00 0.00 C ATOM 262 O ILE A 20 0.739 7.690 -12.402 1.00 0.00 O ATOM 263 CB ILE A 20 3.157 5.732 -10.886 1.00 0.00 C ATOM 264 CG1 ILE A 20 2.021 5.597 -9.870 1.00 0.00 C ATOM 265 CG2 ILE A 20 4.501 5.812 -10.179 1.00 0.00 C ATOM 266 CD1 ILE A 20 1.718 4.165 -9.490 1.00 0.00 C ATOM 0 H ILE A 20 2.386 8.181 -10.146 1.00 0.00 H new ATOM 0 HA ILE A 20 3.754 7.044 -12.492 1.00 0.00 H new ATOM 0 HB ILE A 20 3.156 4.848 -11.523 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.280 6.156 -8.971 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.121 6.054 -10.281 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.639 4.926 -9.559 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.299 5.865 -10.920 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.529 6.702 -9.551 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.903 4.145 -8.767 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.428 3.606 -10.380 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.605 3.710 -9.049 1.00 0.00 H new ATOM 278 N GLU A 21 1.479 5.748 -13.265 1.00 0.00 N ATOM 279 CA GLU A 21 0.260 5.495 -14.024 1.00 0.00 C ATOM 280 C GLU A 21 -0.392 4.187 -13.585 1.00 0.00 C ATOM 281 O GLU A 21 0.290 3.190 -13.348 1.00 0.00 O ATOM 282 CB GLU A 21 0.567 5.447 -15.522 1.00 0.00 C ATOM 283 CG GLU A 21 1.377 4.231 -15.939 1.00 0.00 C ATOM 284 CD GLU A 21 2.198 4.477 -17.190 1.00 0.00 C ATOM 285 OE1 GLU A 21 2.659 5.622 -17.380 1.00 0.00 O ATOM 286 OE2 GLU A 21 2.380 3.526 -17.978 1.00 0.00 O ATOM 0 H GLU A 21 2.196 5.030 -13.366 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.436 6.311 -13.829 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.371 5.456 -16.077 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.111 6.349 -15.802 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.041 3.945 -15.124 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.703 3.392 -16.111 1.00 0.00 H new ATOM 293 N ILE A 22 -1.717 4.200 -13.479 1.00 0.00 N ATOM 294 CA ILE A 22 -2.461 3.016 -13.070 1.00 0.00 C ATOM 295 C ILE A 22 -3.589 2.710 -14.050 1.00 0.00 C ATOM 296 O ILE A 22 -4.155 3.615 -14.663 1.00 0.00 O ATOM 297 CB ILE A 22 -3.054 3.184 -11.658 1.00 0.00 C ATOM 298 CG1 ILE A 22 -1.934 3.288 -10.621 1.00 0.00 C ATOM 299 CG2 ILE A 22 -3.980 2.022 -11.331 1.00 0.00 C ATOM 300 CD1 ILE A 22 -1.093 2.035 -10.512 1.00 0.00 C ATOM 0 H ILE A 22 -2.296 5.017 -13.671 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.755 2.186 -13.062 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.636 4.105 -11.631 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.289 4.128 -10.878 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.371 3.508 -9.647 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.391 2.155 -10.330 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.793 1.990 -12.056 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.420 1.088 -11.372 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.319 2.181 -9.758 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.726 1.196 -10.224 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.627 1.825 -11.475 1.00 0.00 H new ATOM 312 N ASP A 23 -3.912 1.429 -14.190 1.00 0.00 N ATOM 313 CA ASP A 23 -4.975 1.003 -15.093 1.00 0.00 C ATOM 314 C ASP A 23 -6.154 0.430 -14.313 1.00 0.00 C ATOM 315 O ASP A 23 -6.026 -0.593 -13.639 1.00 0.00 O ATOM 316 CB ASP A 23 -4.447 -0.038 -16.082 1.00 0.00 C ATOM 317 CG ASP A 23 -3.552 0.573 -17.142 1.00 0.00 C ATOM 318 OD1 ASP A 23 -2.391 0.903 -16.821 1.00 0.00 O ATOM 319 OD2 ASP A 23 -4.012 0.719 -18.294 1.00 0.00 O ATOM 0 H ASP A 23 -3.453 0.668 -13.690 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.319 1.877 -15.647 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.892 -0.803 -15.539 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.288 -0.537 -16.564 1.00 0.00 H new ATOM 324 N ARG A 24 -7.300 1.096 -14.407 1.00 0.00 N ATOM 325 CA ARG A 24 -8.500 0.654 -13.708 1.00 0.00 C ATOM 326 C ARG A 24 -9.044 -0.633 -14.323 1.00 0.00 C ATOM 327 O ARG A 24 -9.940 -1.267 -13.767 1.00 0.00 O ATOM 328 CB ARG A 24 -9.572 1.745 -13.751 1.00 0.00 C ATOM 329 CG ARG A 24 -9.062 3.116 -13.338 1.00 0.00 C ATOM 330 CD ARG A 24 -9.182 3.326 -11.837 1.00 0.00 C ATOM 331 NE ARG A 24 -9.388 4.731 -11.496 1.00 0.00 N ATOM 332 CZ ARG A 24 -8.473 5.675 -11.687 1.00 0.00 C ATOM 333 NH1 ARG A 24 -7.297 5.366 -12.215 1.00 0.00 N ATOM 334 NH2 ARG A 24 -8.735 6.932 -11.351 1.00 0.00 N ATOM 0 H ARG A 24 -7.423 1.944 -14.961 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.234 0.456 -12.670 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.976 1.806 -14.762 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.395 1.460 -13.095 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.020 3.224 -13.639 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.627 3.888 -13.861 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.013 2.734 -11.453 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.279 2.963 -11.347 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.283 5.002 -11.089 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.093 4.401 -12.476 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.596 6.093 -12.360 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.639 7.174 -10.946 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.032 7.656 -11.498 1.00 0.00 H new ATOM 348 N ASN A 25 -8.497 -1.011 -15.473 1.00 0.00 N ATOM 349 CA ASN A 25 -8.928 -2.221 -16.164 1.00 0.00 C ATOM 350 C ASN A 25 -7.774 -3.210 -16.300 1.00 0.00 C ATOM 351 O ASN A 25 -7.914 -4.259 -16.929 1.00 0.00 O ATOM 352 CB ASN A 25 -9.483 -1.874 -17.547 1.00 0.00 C ATOM 353 CG ASN A 25 -10.682 -0.949 -17.473 1.00 0.00 C ATOM 354 OD1 ASN A 25 -11.799 -1.384 -17.194 1.00 0.00 O ATOM 355 ND2 ASN A 25 -10.455 0.335 -17.724 1.00 0.00 N ATOM 0 H ASN A 25 -7.754 -0.497 -15.947 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.715 -2.687 -15.571 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.700 -1.403 -18.142 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.767 -2.792 -18.062 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.223 1.005 -17.690 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.512 0.651 -17.951 1.00 0.00 H new ATOM 362 N ILE A 26 -6.636 -2.868 -15.706 1.00 0.00 N ATOM 363 CA ILE A 26 -5.459 -3.726 -15.759 1.00 0.00 C ATOM 364 C ILE A 26 -4.670 -3.659 -14.456 1.00 0.00 C ATOM 365 O ILE A 26 -4.527 -2.591 -13.860 1.00 0.00 O ATOM 366 CB ILE A 26 -4.533 -3.340 -16.928 1.00 0.00 C ATOM 367 CG1 ILE A 26 -5.286 -3.434 -18.257 1.00 0.00 C ATOM 368 CG2 ILE A 26 -3.302 -4.233 -16.946 1.00 0.00 C ATOM 369 CD1 ILE A 26 -6.085 -2.193 -18.588 1.00 0.00 C ATOM 0 H ILE A 26 -6.504 -2.003 -15.182 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.818 -4.744 -15.911 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.208 -2.309 -16.789 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.571 -3.620 -19.058 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.958 -4.291 -18.224 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.658 -3.948 -17.778 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.757 -4.120 -16.009 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.608 -5.272 -17.064 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.592 -2.331 -19.543 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.824 -2.017 -17.807 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.415 -1.336 -18.653 1.00 0.00 H new ATOM 381 N ILE A 27 -4.158 -4.805 -14.021 1.00 0.00 N ATOM 382 CA ILE A 27 -3.381 -4.876 -12.790 1.00 0.00 C ATOM 383 C ILE A 27 -1.975 -5.403 -13.057 1.00 0.00 C ATOM 384 O ILE A 27 -1.780 -6.602 -13.256 1.00 0.00 O ATOM 385 CB ILE A 27 -4.064 -5.775 -11.743 1.00 0.00 C ATOM 386 CG1 ILE A 27 -5.507 -5.320 -11.511 1.00 0.00 C ATOM 387 CG2 ILE A 27 -3.281 -5.759 -10.439 1.00 0.00 C ATOM 388 CD1 ILE A 27 -6.326 -6.298 -10.699 1.00 0.00 C ATOM 0 H ILE A 27 -4.267 -5.697 -14.503 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.318 -3.861 -12.398 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.082 -6.798 -12.120 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.498 -4.356 -11.002 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.991 -5.167 -12.476 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.777 -6.399 -9.709 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.270 -6.126 -10.617 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.234 -4.740 -10.055 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.337 -5.910 -10.574 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.366 -7.257 -11.216 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.866 -6.433 -9.720 1.00 0.00 H new ATOM 400 N GLN A 28 -1.001 -4.500 -13.058 1.00 0.00 N ATOM 401 CA GLN A 28 0.388 -4.875 -13.300 1.00 0.00 C ATOM 402 C GLN A 28 1.093 -5.222 -11.993 1.00 0.00 C ATOM 403 O GLN A 28 0.768 -4.677 -10.938 1.00 0.00 O ATOM 404 CB GLN A 28 1.129 -3.740 -14.008 1.00 0.00 C ATOM 405 CG GLN A 28 0.243 -2.914 -14.926 1.00 0.00 C ATOM 406 CD GLN A 28 -0.417 -1.752 -14.210 1.00 0.00 C ATOM 407 OE1 GLN A 28 -0.509 -1.736 -12.982 1.00 0.00 O ATOM 408 NE2 GLN A 28 -0.880 -0.770 -14.975 1.00 0.00 N ATOM 0 H GLN A 28 -1.147 -3.504 -12.894 1.00 0.00 H new ATOM 0 HA GLN A 28 0.394 -5.757 -13.940 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.573 -3.084 -13.259 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.949 -4.160 -14.590 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.840 -2.533 -15.755 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.527 -3.555 -15.356 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.783 -0.824 -15.989 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.333 0.038 -14.549 1.00 0.00 H new ATOM 417 N GLU A 29 2.060 -6.131 -12.071 1.00 0.00 N ATOM 418 CA GLU A 29 2.810 -6.550 -10.893 1.00 0.00 C ATOM 419 C GLU A 29 3.003 -5.385 -9.927 1.00 0.00 C ATOM 420 O GLU A 29 3.044 -5.573 -8.712 1.00 0.00 O ATOM 421 CB GLU A 29 4.170 -7.118 -11.302 1.00 0.00 C ATOM 422 CG GLU A 29 5.028 -6.138 -12.085 1.00 0.00 C ATOM 423 CD GLU A 29 4.504 -5.894 -13.486 1.00 0.00 C ATOM 424 OE1 GLU A 29 4.301 -6.881 -14.224 1.00 0.00 O ATOM 425 OE2 GLU A 29 4.298 -4.716 -13.846 1.00 0.00 O ATOM 0 H GLU A 29 2.342 -6.591 -12.937 1.00 0.00 H new ATOM 0 HA GLU A 29 2.237 -7.327 -10.387 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.710 -7.426 -10.407 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.014 -8.013 -11.904 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.073 -5.191 -11.548 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.047 -6.520 -12.144 1.00 0.00 H new ATOM 432 N GLU A 30 3.122 -4.181 -10.478 1.00 0.00 N ATOM 433 CA GLU A 30 3.312 -2.985 -9.666 1.00 0.00 C ATOM 434 C GLU A 30 2.390 -3.001 -8.450 1.00 0.00 C ATOM 435 O GLU A 30 2.833 -2.799 -7.320 1.00 0.00 O ATOM 436 CB GLU A 30 3.053 -1.728 -10.500 1.00 0.00 C ATOM 437 CG GLU A 30 4.272 -1.245 -11.268 1.00 0.00 C ATOM 438 CD GLU A 30 4.576 -2.104 -12.480 1.00 0.00 C ATOM 439 OE1 GLU A 30 4.013 -1.827 -13.559 1.00 0.00 O ATOM 440 OE2 GLU A 30 5.377 -3.054 -12.349 1.00 0.00 O ATOM 0 H GLU A 30 3.090 -4.008 -11.483 1.00 0.00 H new ATOM 0 HA GLU A 30 4.345 -2.974 -9.317 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.246 -1.930 -11.205 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.709 -0.930 -9.842 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.111 -0.216 -11.588 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.137 -1.241 -10.604 1.00 0.00 H new ATOM 447 N GLU A 31 1.105 -3.241 -8.692 1.00 0.00 N ATOM 448 CA GLU A 31 0.121 -3.282 -7.617 1.00 0.00 C ATOM 449 C GLU A 31 0.204 -4.600 -6.852 1.00 0.00 C ATOM 450 O GLU A 31 0.219 -4.617 -5.621 1.00 0.00 O ATOM 451 CB GLU A 31 -1.290 -3.094 -8.180 1.00 0.00 C ATOM 452 CG GLU A 31 -1.501 -1.751 -8.857 1.00 0.00 C ATOM 453 CD GLU A 31 -1.116 -1.770 -10.324 1.00 0.00 C ATOM 454 OE1 GLU A 31 -1.590 -2.668 -11.050 1.00 0.00 O ATOM 455 OE2 GLU A 31 -0.342 -0.885 -10.745 1.00 0.00 O ATOM 0 H GLU A 31 0.722 -3.410 -9.622 1.00 0.00 H new ATOM 0 HA GLU A 31 0.341 -2.468 -6.927 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.495 -3.889 -8.897 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.012 -3.201 -7.371 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.548 -1.462 -8.764 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.913 -0.992 -8.341 1.00 0.00 H new ATOM 462 N LYS A 32 0.257 -5.703 -7.591 1.00 0.00 N ATOM 463 CA LYS A 32 0.340 -7.027 -6.985 1.00 0.00 C ATOM 464 C LYS A 32 1.529 -7.116 -6.034 1.00 0.00 C ATOM 465 O LYS A 32 1.626 -8.048 -5.235 1.00 0.00 O ATOM 466 CB LYS A 32 0.458 -8.100 -8.069 1.00 0.00 C ATOM 467 CG LYS A 32 -0.795 -8.253 -8.913 1.00 0.00 C ATOM 468 CD LYS A 32 -0.545 -9.126 -10.131 1.00 0.00 C ATOM 469 CE LYS A 32 -1.751 -9.150 -11.058 1.00 0.00 C ATOM 470 NZ LYS A 32 -2.712 -10.226 -10.689 1.00 0.00 N ATOM 0 H LYS A 32 0.244 -5.706 -8.611 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.573 -7.196 -6.414 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.297 -7.855 -8.720 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.688 -9.056 -7.598 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.590 -8.689 -8.309 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.141 -7.270 -9.234 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.325 -8.755 -10.673 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.311 -10.141 -9.810 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.256 -8.184 -11.023 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.417 -9.298 -12.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.389 -10.368 -11.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.193 -11.110 -10.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.226 -9.952 -9.828 1.00 0.00 H new ATOM 484 N GLN A 33 2.428 -6.142 -6.125 1.00 0.00 N ATOM 485 CA GLN A 33 3.610 -6.113 -5.271 1.00 0.00 C ATOM 486 C GLN A 33 3.288 -5.490 -3.916 1.00 0.00 C ATOM 487 O GLN A 33 3.936 -5.790 -2.915 1.00 0.00 O ATOM 488 CB GLN A 33 4.736 -5.330 -5.950 1.00 0.00 C ATOM 489 CG GLN A 33 5.512 -6.145 -6.972 1.00 0.00 C ATOM 490 CD GLN A 33 6.646 -6.935 -6.350 1.00 0.00 C ATOM 491 OE1 GLN A 33 6.498 -8.117 -6.041 1.00 0.00 O ATOM 492 NE2 GLN A 33 7.788 -6.283 -6.162 1.00 0.00 N ATOM 0 H GLN A 33 2.361 -5.363 -6.780 1.00 0.00 H new ATOM 0 HA GLN A 33 3.936 -7.141 -5.110 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.313 -4.454 -6.441 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.425 -4.966 -5.188 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.831 -6.830 -7.477 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.915 -5.477 -7.733 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.866 -5.303 -6.433 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.587 -6.763 -5.746 1.00 0.00 H new ATOM 501 N ALA A 34 2.281 -4.623 -3.894 1.00 0.00 N ATOM 502 CA ALA A 34 1.872 -3.959 -2.662 1.00 0.00 C ATOM 503 C ALA A 34 0.543 -4.512 -2.157 1.00 0.00 C ATOM 504 O ALA A 34 0.188 -4.331 -0.992 1.00 0.00 O ATOM 505 CB ALA A 34 1.772 -2.457 -2.880 1.00 0.00 C ATOM 0 H ALA A 34 1.734 -4.364 -4.715 1.00 0.00 H new ATOM 0 HA ALA A 34 2.630 -4.155 -1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.466 -1.974 -1.952 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.743 -2.069 -3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.036 -2.250 -3.657 1.00 0.00 H new ATOM 511 N ILE A 35 -0.186 -5.186 -3.039 1.00 0.00 N ATOM 512 CA ILE A 35 -1.475 -5.765 -2.682 1.00 0.00 C ATOM 513 C ILE A 35 -1.524 -7.250 -3.023 1.00 0.00 C ATOM 514 O ILE A 35 -2.500 -7.753 -3.581 1.00 0.00 O ATOM 515 CB ILE A 35 -2.634 -5.046 -3.398 1.00 0.00 C ATOM 516 CG1 ILE A 35 -2.394 -3.535 -3.413 1.00 0.00 C ATOM 517 CG2 ILE A 35 -3.957 -5.371 -2.721 1.00 0.00 C ATOM 518 CD1 ILE A 35 -2.332 -2.920 -2.032 1.00 0.00 C ATOM 0 H ILE A 35 0.094 -5.345 -4.007 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.590 -5.638 -1.606 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.679 -5.398 -4.429 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.460 -3.329 -3.936 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.191 -3.054 -3.981 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.767 -4.856 -3.238 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.130 -6.447 -2.757 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.924 -5.044 -1.682 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.160 -1.847 -2.119 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.274 -3.095 -1.513 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.517 -3.374 -1.468 1.00 0.00 H new ATOM 530 N PRO A 36 -0.447 -7.973 -2.680 1.00 0.00 N ATOM 531 CA PRO A 36 -0.344 -9.412 -2.939 1.00 0.00 C ATOM 532 C PRO A 36 -1.290 -10.227 -2.065 1.00 0.00 C ATOM 533 O PRO A 36 -1.425 -11.437 -2.241 1.00 0.00 O ATOM 534 CB PRO A 36 1.113 -9.731 -2.592 1.00 0.00 C ATOM 535 CG PRO A 36 1.509 -8.677 -1.616 1.00 0.00 C ATOM 536 CD PRO A 36 0.753 -7.440 -2.013 1.00 0.00 C ATOM 0 HA PRO A 36 -0.617 -9.663 -3.964 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.208 -10.727 -2.160 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.746 -9.707 -3.479 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.261 -8.976 -0.597 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.585 -8.503 -1.645 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.494 -6.832 -1.146 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.338 -6.809 -2.682 1.00 0.00 H new ATOM 544 N GLU A 37 -1.945 -9.556 -1.122 1.00 0.00 N ATOM 545 CA GLU A 37 -2.879 -10.220 -0.221 1.00 0.00 C ATOM 546 C GLU A 37 -4.199 -10.517 -0.927 1.00 0.00 C ATOM 547 O GLU A 37 -4.892 -11.477 -0.592 1.00 0.00 O ATOM 548 CB GLU A 37 -3.133 -9.354 1.015 1.00 0.00 C ATOM 549 CG GLU A 37 -4.452 -9.653 1.707 1.00 0.00 C ATOM 550 CD GLU A 37 -4.445 -10.990 2.423 1.00 0.00 C ATOM 551 OE1 GLU A 37 -3.677 -11.139 3.396 1.00 0.00 O ATOM 552 OE2 GLU A 37 -5.208 -11.888 2.009 1.00 0.00 O ATOM 0 H GLU A 37 -1.846 -8.553 -0.963 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.433 -11.164 0.091 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.319 -9.501 1.725 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.116 -8.304 0.722 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.669 -8.862 2.425 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.255 -9.644 0.970 1.00 0.00 H new ATOM 559 N PHE A 38 -4.539 -9.685 -1.906 1.00 0.00 N ATOM 560 CA PHE A 38 -5.776 -9.857 -2.659 1.00 0.00 C ATOM 561 C PHE A 38 -5.574 -10.820 -3.825 1.00 0.00 C ATOM 562 O PHE A 38 -6.479 -11.036 -4.631 1.00 0.00 O ATOM 563 CB PHE A 38 -6.273 -8.506 -3.179 1.00 0.00 C ATOM 564 CG PHE A 38 -7.120 -7.758 -2.190 1.00 0.00 C ATOM 565 CD1 PHE A 38 -6.537 -7.081 -1.131 1.00 0.00 C ATOM 566 CD2 PHE A 38 -8.499 -7.731 -2.319 1.00 0.00 C ATOM 567 CE1 PHE A 38 -7.314 -6.392 -0.219 1.00 0.00 C ATOM 568 CE2 PHE A 38 -9.281 -7.044 -1.410 1.00 0.00 C ATOM 569 CZ PHE A 38 -8.688 -6.373 -0.359 1.00 0.00 C ATOM 0 H PHE A 38 -3.976 -8.886 -2.196 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.525 -10.279 -1.988 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.414 -7.891 -3.448 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.849 -8.666 -4.091 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.463 -7.092 -1.017 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.969 -8.253 -3.140 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.847 -5.869 0.602 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -10.355 -7.032 -1.522 1.00 0.00 H new ATOM 0 HZ PHE A 38 -9.297 -5.835 0.352 1.00 0.00 H new ATOM 579 N PHE A 39 -4.379 -11.396 -3.909 1.00 0.00 N ATOM 580 CA PHE A 39 -4.055 -12.335 -4.976 1.00 0.00 C ATOM 581 C PHE A 39 -3.549 -13.656 -4.404 1.00 0.00 C ATOM 582 O PHE A 39 -2.834 -14.400 -5.074 1.00 0.00 O ATOM 583 CB PHE A 39 -3.004 -11.734 -5.912 1.00 0.00 C ATOM 584 CG PHE A 39 -3.386 -10.389 -6.458 1.00 0.00 C ATOM 585 CD1 PHE A 39 -4.286 -10.282 -7.507 1.00 0.00 C ATOM 586 CD2 PHE A 39 -2.846 -9.230 -5.924 1.00 0.00 C ATOM 587 CE1 PHE A 39 -4.640 -9.046 -8.012 1.00 0.00 C ATOM 588 CE2 PHE A 39 -3.197 -7.991 -6.425 1.00 0.00 C ATOM 589 CZ PHE A 39 -4.094 -7.898 -7.471 1.00 0.00 C ATOM 0 H PHE A 39 -3.619 -11.228 -3.250 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.966 -12.531 -5.542 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.060 -11.644 -5.375 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.834 -12.419 -6.742 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.716 -11.176 -7.935 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.143 -9.296 -5.107 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.343 -8.977 -8.829 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.770 -7.095 -5.999 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.368 -6.930 -7.865 1.00 0.00 H new ATOM 599 N GLU A 40 -3.924 -13.938 -3.160 1.00 0.00 N ATOM 600 CA GLU A 40 -3.507 -15.168 -2.498 1.00 0.00 C ATOM 601 C GLU A 40 -4.420 -16.329 -2.880 1.00 0.00 C ATOM 602 O GLU A 40 -4.478 -17.342 -2.185 1.00 0.00 O ATOM 603 CB GLU A 40 -3.510 -14.981 -0.979 1.00 0.00 C ATOM 604 CG GLU A 40 -2.495 -13.963 -0.489 1.00 0.00 C ATOM 605 CD GLU A 40 -1.131 -14.575 -0.233 1.00 0.00 C ATOM 606 OE1 GLU A 40 -0.417 -14.861 -1.217 1.00 0.00 O ATOM 607 OE2 GLU A 40 -0.779 -14.768 0.949 1.00 0.00 O ATOM 0 H GLU A 40 -4.515 -13.332 -2.591 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.495 -15.402 -2.827 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.506 -14.671 -0.662 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.308 -15.941 -0.503 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.399 -13.167 -1.227 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.861 -13.504 0.429 1.00 0.00 H new ATOM 614 N GLY A 41 -5.132 -16.173 -3.992 1.00 0.00 N ATOM 615 CA GLY A 41 -6.033 -17.215 -4.448 1.00 0.00 C ATOM 616 C GLY A 41 -7.061 -17.593 -3.400 1.00 0.00 C ATOM 617 O GLY A 41 -7.703 -18.639 -3.499 1.00 0.00 O ATOM 0 H GLY A 41 -5.101 -15.344 -4.585 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.545 -16.879 -5.350 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.454 -18.098 -4.720 1.00 0.00 H new ATOM 621 N ARG A 42 -7.216 -16.741 -2.391 1.00 0.00 N ATOM 622 CA ARG A 42 -8.170 -16.993 -1.318 1.00 0.00 C ATOM 623 C ARG A 42 -9.602 -16.951 -1.843 1.00 0.00 C ATOM 624 O ARG A 42 -9.830 -16.746 -3.035 1.00 0.00 O ATOM 625 CB ARG A 42 -7.995 -15.965 -0.199 1.00 0.00 C ATOM 626 CG ARG A 42 -6.730 -16.165 0.619 1.00 0.00 C ATOM 627 CD ARG A 42 -6.960 -17.126 1.774 1.00 0.00 C ATOM 628 NE ARG A 42 -6.018 -16.904 2.868 1.00 0.00 N ATOM 629 CZ ARG A 42 -5.822 -17.769 3.857 1.00 0.00 C ATOM 630 NH1 ARG A 42 -6.498 -18.908 3.889 1.00 0.00 N ATOM 631 NH2 ARG A 42 -4.947 -17.495 4.816 1.00 0.00 N ATOM 0 H ARG A 42 -6.693 -15.871 -2.295 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.976 -17.989 -0.920 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.982 -14.966 -0.634 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.858 -16.013 0.465 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.937 -16.549 -0.023 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.390 -15.204 1.006 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.979 -17.010 2.144 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.865 -18.151 1.417 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.481 -16.037 2.873 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.171 -19.123 3.153 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.346 -19.570 4.650 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.424 -16.620 4.794 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.797 -18.160 5.575 1.00 0.00 H new ATOM 645 N GLN A 43 -10.562 -17.147 -0.945 1.00 0.00 N ATOM 646 CA GLN A 43 -11.971 -17.132 -1.319 1.00 0.00 C ATOM 647 C GLN A 43 -12.582 -15.754 -1.086 1.00 0.00 C ATOM 648 O GLN A 43 -12.898 -15.037 -2.035 1.00 0.00 O ATOM 649 CB GLN A 43 -12.743 -18.186 -0.523 1.00 0.00 C ATOM 650 CG GLN A 43 -11.907 -19.401 -0.152 1.00 0.00 C ATOM 651 CD GLN A 43 -11.231 -20.032 -1.353 1.00 0.00 C ATOM 652 OE1 GLN A 43 -10.038 -19.830 -1.585 1.00 0.00 O ATOM 653 NE2 GLN A 43 -11.990 -20.802 -2.124 1.00 0.00 N ATOM 0 H GLN A 43 -10.390 -17.318 0.046 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.041 -17.365 -2.381 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.130 -17.730 0.388 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -13.604 -18.512 -1.107 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.149 -19.108 0.574 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -12.544 -20.141 0.333 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.974 -20.942 -1.894 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -11.589 -21.254 -2.946 1.00 0.00 H new ATOM 662 N ALA A 44 -12.745 -15.391 0.182 1.00 0.00 N ATOM 663 CA ALA A 44 -13.316 -14.098 0.539 1.00 0.00 C ATOM 664 C ALA A 44 -12.541 -12.957 -0.112 1.00 0.00 C ATOM 665 O ALA A 44 -13.092 -11.886 -0.369 1.00 0.00 O ATOM 666 CB ALA A 44 -13.336 -13.930 2.051 1.00 0.00 C ATOM 0 H ALA A 44 -12.490 -15.974 0.979 1.00 0.00 H new ATOM 0 HA ALA A 44 -14.340 -14.065 0.167 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -13.765 -12.960 2.304 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.939 -14.721 2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.318 -13.988 2.437 1.00 0.00 H new ATOM 672 N LYS A 45 -11.261 -13.193 -0.376 1.00 0.00 N ATOM 673 CA LYS A 45 -10.409 -12.185 -0.998 1.00 0.00 C ATOM 674 C LYS A 45 -10.208 -12.483 -2.480 1.00 0.00 C ATOM 675 O LYS A 45 -9.757 -13.568 -2.851 1.00 0.00 O ATOM 676 CB LYS A 45 -9.054 -12.126 -0.289 1.00 0.00 C ATOM 677 CG LYS A 45 -9.076 -11.326 1.001 1.00 0.00 C ATOM 678 CD LYS A 45 -7.753 -11.423 1.741 1.00 0.00 C ATOM 679 CE LYS A 45 -7.839 -10.795 3.123 1.00 0.00 C ATOM 680 NZ LYS A 45 -6.888 -11.425 4.080 1.00 0.00 N ATOM 0 H LYS A 45 -10.790 -14.074 -0.169 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.903 -11.218 -0.904 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.723 -13.141 -0.071 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.319 -11.689 -0.965 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.293 -10.281 0.778 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.880 -11.689 1.642 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.463 -12.470 1.833 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.974 -10.926 1.162 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.628 -9.728 3.051 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.856 -10.893 3.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.418 -11.978 4.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.240 -12.053 3.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.341 -10.685 4.563 1.00 0.00 H new ATOM 694 N THR A 46 -10.542 -11.512 -3.325 1.00 0.00 N ATOM 695 CA THR A 46 -10.398 -11.670 -4.766 1.00 0.00 C ATOM 696 C THR A 46 -9.790 -10.423 -5.398 1.00 0.00 C ATOM 697 O THR A 46 -9.937 -9.309 -4.896 1.00 0.00 O ATOM 698 CB THR A 46 -11.753 -11.963 -5.438 1.00 0.00 C ATOM 699 OG1 THR A 46 -12.661 -10.882 -5.201 1.00 0.00 O ATOM 700 CG2 THR A 46 -12.350 -13.259 -4.909 1.00 0.00 C ATOM 0 H THR A 46 -10.914 -10.608 -3.035 1.00 0.00 H new ATOM 0 HA THR A 46 -9.731 -12.517 -4.925 1.00 0.00 H new ATOM 0 HB THR A 46 -11.587 -12.069 -6.510 1.00 0.00 H new ATOM 0 HG1 THR A 46 -13.519 -11.075 -5.633 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.306 -13.445 -5.398 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.669 -14.085 -5.117 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.503 -13.177 -3.833 1.00 0.00 H new ATOM 708 N PRO A 47 -9.089 -10.612 -6.526 1.00 0.00 N ATOM 709 CA PRO A 47 -8.446 -9.513 -7.251 1.00 0.00 C ATOM 710 C PRO A 47 -9.457 -8.587 -7.918 1.00 0.00 C ATOM 711 O PRO A 47 -9.176 -7.413 -8.154 1.00 0.00 O ATOM 712 CB PRO A 47 -7.601 -10.231 -8.307 1.00 0.00 C ATOM 713 CG PRO A 47 -8.284 -11.538 -8.513 1.00 0.00 C ATOM 714 CD PRO A 47 -8.873 -11.913 -7.181 1.00 0.00 C ATOM 0 HA PRO A 47 -7.868 -8.870 -6.587 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.554 -9.658 -9.233 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.575 -10.370 -7.966 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.060 -11.457 -9.274 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.580 -12.296 -8.856 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -9.806 -12.465 -7.295 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.196 -12.545 -6.606 1.00 0.00 H new ATOM 722 N GLU A 48 -10.636 -9.124 -8.218 1.00 0.00 N ATOM 723 CA GLU A 48 -11.689 -8.344 -8.858 1.00 0.00 C ATOM 724 C GLU A 48 -12.266 -7.314 -7.892 1.00 0.00 C ATOM 725 O GLU A 48 -12.710 -6.242 -8.304 1.00 0.00 O ATOM 726 CB GLU A 48 -12.801 -9.266 -9.363 1.00 0.00 C ATOM 727 CG GLU A 48 -12.520 -9.866 -10.730 1.00 0.00 C ATOM 728 CD GLU A 48 -12.430 -8.817 -11.821 1.00 0.00 C ATOM 729 OE1 GLU A 48 -13.474 -8.219 -12.156 1.00 0.00 O ATOM 730 OE2 GLU A 48 -11.317 -8.594 -12.340 1.00 0.00 O ATOM 0 H GLU A 48 -10.885 -10.095 -8.028 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.252 -7.816 -9.706 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.947 -10.073 -8.645 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.735 -8.705 -9.407 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.586 -10.426 -10.692 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.308 -10.577 -10.979 1.00 0.00 H new ATOM 737 N ARG A 49 -12.258 -7.647 -6.606 1.00 0.00 N ATOM 738 CA ARG A 49 -12.782 -6.753 -5.581 1.00 0.00 C ATOM 739 C ARG A 49 -11.820 -5.596 -5.325 1.00 0.00 C ATOM 740 O ARG A 49 -12.231 -4.437 -5.256 1.00 0.00 O ATOM 741 CB ARG A 49 -13.030 -7.521 -4.281 1.00 0.00 C ATOM 742 CG ARG A 49 -14.155 -6.944 -3.438 1.00 0.00 C ATOM 743 CD ARG A 49 -14.500 -7.856 -2.271 1.00 0.00 C ATOM 744 NE ARG A 49 -13.703 -7.551 -1.085 1.00 0.00 N ATOM 745 CZ ARG A 49 -12.482 -8.031 -0.877 1.00 0.00 C ATOM 746 NH1 ARG A 49 -11.920 -8.832 -1.771 1.00 0.00 N ATOM 747 NH2 ARG A 49 -11.821 -7.708 0.227 1.00 0.00 N ATOM 0 H ARG A 49 -11.894 -8.530 -6.249 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.727 -6.345 -5.940 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.262 -8.559 -4.521 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.113 -7.528 -3.692 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.863 -5.964 -3.061 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -15.038 -6.797 -4.060 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.559 -7.755 -2.032 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.336 -8.894 -2.561 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.106 -6.936 -0.378 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.425 -9.081 -2.621 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.982 -9.199 -1.609 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.250 -7.091 0.916 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.883 -8.077 0.386 1.00 0.00 H new ATOM 761 N TYR A 50 -10.539 -5.919 -5.185 1.00 0.00 N ATOM 762 CA TYR A 50 -9.519 -4.907 -4.934 1.00 0.00 C ATOM 763 C TYR A 50 -9.614 -3.774 -5.952 1.00 0.00 C ATOM 764 O TYR A 50 -9.356 -2.613 -5.631 1.00 0.00 O ATOM 765 CB TYR A 50 -8.126 -5.536 -4.982 1.00 0.00 C ATOM 766 CG TYR A 50 -7.021 -4.539 -5.248 1.00 0.00 C ATOM 767 CD1 TYR A 50 -6.490 -3.769 -4.221 1.00 0.00 C ATOM 768 CD2 TYR A 50 -6.507 -4.367 -6.528 1.00 0.00 C ATOM 769 CE1 TYR A 50 -5.481 -2.856 -4.461 1.00 0.00 C ATOM 770 CE2 TYR A 50 -5.497 -3.458 -6.777 1.00 0.00 C ATOM 771 CZ TYR A 50 -4.988 -2.705 -5.740 1.00 0.00 C ATOM 772 OH TYR A 50 -3.981 -1.798 -5.983 1.00 0.00 O ATOM 0 H TYR A 50 -10.182 -6.873 -5.241 1.00 0.00 H new ATOM 0 HA TYR A 50 -9.690 -4.493 -3.940 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.930 -6.038 -4.035 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.108 -6.301 -5.758 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.872 -3.886 -3.218 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.904 -4.955 -7.342 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.081 -2.264 -3.651 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.109 -3.338 -7.778 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.748 -1.816 -6.935 1.00 0.00 H new ATOM 782 N LEU A 51 -9.985 -4.120 -7.179 1.00 0.00 N ATOM 783 CA LEU A 51 -10.115 -3.133 -8.246 1.00 0.00 C ATOM 784 C LEU A 51 -11.211 -2.123 -7.922 1.00 0.00 C ATOM 785 O LEU A 51 -11.065 -0.928 -8.180 1.00 0.00 O ATOM 786 CB LEU A 51 -10.420 -3.826 -9.575 1.00 0.00 C ATOM 787 CG LEU A 51 -9.208 -4.255 -10.402 1.00 0.00 C ATOM 788 CD1 LEU A 51 -9.648 -5.051 -11.621 1.00 0.00 C ATOM 789 CD2 LEU A 51 -8.393 -3.041 -10.822 1.00 0.00 C ATOM 0 H LEU A 51 -10.201 -5.076 -7.460 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.168 -2.599 -8.331 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.026 -4.709 -9.371 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.029 -3.155 -10.181 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.578 -4.895 -9.784 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.772 -5.348 -12.197 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.189 -5.941 -11.299 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.299 -4.436 -12.242 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.534 -3.365 -11.410 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.014 -2.376 -11.423 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.046 -2.511 -9.935 1.00 0.00 H new ATOM 801 N LYS A 52 -12.309 -2.611 -7.354 1.00 0.00 N ATOM 802 CA LYS A 52 -13.430 -1.751 -6.992 1.00 0.00 C ATOM 803 C LYS A 52 -13.001 -0.698 -5.975 1.00 0.00 C ATOM 804 O LYS A 52 -13.105 0.503 -6.230 1.00 0.00 O ATOM 805 CB LYS A 52 -14.577 -2.588 -6.421 1.00 0.00 C ATOM 806 CG LYS A 52 -15.907 -1.855 -6.389 1.00 0.00 C ATOM 807 CD LYS A 52 -17.076 -2.815 -6.529 1.00 0.00 C ATOM 808 CE LYS A 52 -18.387 -2.071 -6.732 1.00 0.00 C ATOM 809 NZ LYS A 52 -19.530 -3.005 -6.934 1.00 0.00 N ATOM 0 H LYS A 52 -12.446 -3.598 -7.134 1.00 0.00 H new ATOM 0 HA LYS A 52 -13.772 -1.243 -7.894 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.686 -3.495 -7.016 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.319 -2.900 -5.409 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.997 -1.304 -5.453 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.939 -1.122 -7.195 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.901 -3.483 -7.373 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -17.145 -3.439 -5.638 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -18.583 -1.439 -5.866 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -18.300 -1.411 -7.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -20.405 -2.459 -7.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -19.355 -3.591 -7.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -19.629 -3.618 -6.100 1.00 0.00 H new ATOM 823 N ILE A 53 -12.517 -1.154 -4.825 1.00 0.00 N ATOM 824 CA ILE A 53 -12.070 -0.251 -3.772 1.00 0.00 C ATOM 825 C ILE A 53 -10.995 0.702 -4.285 1.00 0.00 C ATOM 826 O ILE A 53 -11.038 1.903 -4.019 1.00 0.00 O ATOM 827 CB ILE A 53 -11.519 -1.026 -2.561 1.00 0.00 C ATOM 828 CG1 ILE A 53 -12.553 -2.037 -2.061 1.00 0.00 C ATOM 829 CG2 ILE A 53 -11.129 -0.064 -1.449 1.00 0.00 C ATOM 830 CD1 ILE A 53 -11.940 -3.252 -1.401 1.00 0.00 C ATOM 0 H ILE A 53 -12.424 -2.144 -4.599 1.00 0.00 H new ATOM 0 HA ILE A 53 -12.942 0.323 -3.458 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.628 -1.571 -2.872 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.217 -1.544 -1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.168 -2.361 -2.901 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -10.741 -0.627 -0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.361 0.620 -1.812 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -12.004 0.506 -1.137 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.731 -3.925 -1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.298 -3.769 -2.114 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -11.348 -2.939 -0.541 1.00 0.00 H new ATOM 842 N ARG A 54 -10.033 0.157 -5.023 1.00 0.00 N ATOM 843 CA ARG A 54 -8.947 0.958 -5.574 1.00 0.00 C ATOM 844 C ARG A 54 -9.471 1.942 -6.616 1.00 0.00 C ATOM 845 O ARG A 54 -9.460 3.153 -6.402 1.00 0.00 O ATOM 846 CB ARG A 54 -7.885 0.053 -6.200 1.00 0.00 C ATOM 847 CG ARG A 54 -6.539 0.734 -6.389 1.00 0.00 C ATOM 848 CD ARG A 54 -5.789 0.164 -7.582 1.00 0.00 C ATOM 849 NE ARG A 54 -6.354 0.616 -8.851 1.00 0.00 N ATOM 850 CZ ARG A 54 -5.960 0.159 -10.035 1.00 0.00 C ATOM 851 NH1 ARG A 54 -5.005 -0.757 -10.112 1.00 0.00 N ATOM 852 NH2 ARG A 54 -6.523 0.619 -11.145 1.00 0.00 N ATOM 0 H ARG A 54 -9.984 -0.836 -5.253 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.497 1.525 -4.759 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.752 -0.827 -5.570 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.244 -0.299 -7.167 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.688 1.805 -6.529 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.938 0.611 -5.488 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.741 0.459 -7.526 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.816 -0.925 -7.541 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.091 1.321 -8.827 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.570 -1.113 -9.261 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.705 -1.106 -11.022 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.258 1.324 -11.090 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.220 0.268 -12.054 1.00 0.00 H new ATOM 866 N ASN A 55 -9.930 1.411 -7.745 1.00 0.00 N ATOM 867 CA ASN A 55 -10.457 2.242 -8.822 1.00 0.00 C ATOM 868 C ASN A 55 -11.342 3.354 -8.267 1.00 0.00 C ATOM 869 O ASN A 55 -11.428 4.439 -8.843 1.00 0.00 O ATOM 870 CB ASN A 55 -11.253 1.388 -9.810 1.00 0.00 C ATOM 871 CG ASN A 55 -10.397 0.330 -10.480 1.00 0.00 C ATOM 872 OD1 ASN A 55 -9.271 0.069 -10.058 1.00 0.00 O ATOM 873 ND2 ASN A 55 -10.930 -0.284 -11.530 1.00 0.00 N ATOM 0 H ASN A 55 -9.948 0.410 -7.938 1.00 0.00 H new ATOM 0 HA ASN A 55 -9.614 2.697 -9.342 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -12.078 0.906 -9.286 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -11.692 2.032 -10.572 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.402 -1.005 -12.022 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -11.868 -0.035 -11.845 1.00 0.00 H new ATOM 880 N TYR A 56 -11.996 3.077 -7.145 1.00 0.00 N ATOM 881 CA TYR A 56 -12.876 4.053 -6.512 1.00 0.00 C ATOM 882 C TYR A 56 -12.069 5.170 -5.857 1.00 0.00 C ATOM 883 O TYR A 56 -12.294 6.351 -6.122 1.00 0.00 O ATOM 884 CB TYR A 56 -13.763 3.371 -5.469 1.00 0.00 C ATOM 885 CG TYR A 56 -14.657 4.329 -4.715 1.00 0.00 C ATOM 886 CD1 TYR A 56 -14.136 5.182 -3.749 1.00 0.00 C ATOM 887 CD2 TYR A 56 -16.022 4.382 -4.966 1.00 0.00 C ATOM 888 CE1 TYR A 56 -14.948 6.059 -3.057 1.00 0.00 C ATOM 889 CE2 TYR A 56 -16.842 5.256 -4.280 1.00 0.00 C ATOM 890 CZ TYR A 56 -16.300 6.092 -3.326 1.00 0.00 C ATOM 891 OH TYR A 56 -17.114 6.964 -2.639 1.00 0.00 O ATOM 0 H TYR A 56 -11.934 2.185 -6.655 1.00 0.00 H new ATOM 0 HA TYR A 56 -13.507 4.490 -7.286 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -14.382 2.623 -5.964 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -13.130 2.841 -4.757 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -13.078 5.159 -3.536 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -16.450 3.728 -5.711 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -14.527 6.715 -2.310 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -17.901 5.285 -4.489 1.00 0.00 H new ATOM 0 HH TYR A 56 -18.038 6.862 -2.949 1.00 0.00 H new ATOM 901 N ILE A 57 -11.127 4.787 -5.001 1.00 0.00 N ATOM 902 CA ILE A 57 -10.285 5.754 -4.309 1.00 0.00 C ATOM 903 C ILE A 57 -9.592 6.686 -5.298 1.00 0.00 C ATOM 904 O ILE A 57 -9.589 7.905 -5.122 1.00 0.00 O ATOM 905 CB ILE A 57 -9.219 5.056 -3.445 1.00 0.00 C ATOM 906 CG1 ILE A 57 -9.858 4.461 -2.189 1.00 0.00 C ATOM 907 CG2 ILE A 57 -8.116 6.035 -3.071 1.00 0.00 C ATOM 908 CD1 ILE A 57 -9.005 3.409 -1.516 1.00 0.00 C ATOM 0 H ILE A 57 -10.928 3.813 -4.770 1.00 0.00 H new ATOM 0 HA ILE A 57 -10.940 6.337 -3.662 1.00 0.00 H new ATOM 0 HB ILE A 57 -8.778 4.245 -4.024 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.059 5.263 -1.479 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -10.820 4.022 -2.454 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.370 5.527 -2.460 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.645 6.416 -3.977 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.542 6.865 -2.507 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.521 3.032 -0.633 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.825 2.588 -2.210 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.052 3.848 -1.219 1.00 0.00 H new ATOM 920 N LEU A 58 -9.006 6.105 -6.339 1.00 0.00 N ATOM 921 CA LEU A 58 -8.310 6.882 -7.358 1.00 0.00 C ATOM 922 C LEU A 58 -9.246 7.903 -7.997 1.00 0.00 C ATOM 923 O LEU A 58 -8.817 8.980 -8.412 1.00 0.00 O ATOM 924 CB LEU A 58 -7.738 5.956 -8.432 1.00 0.00 C ATOM 925 CG LEU A 58 -6.359 5.362 -8.142 1.00 0.00 C ATOM 926 CD1 LEU A 58 -6.083 4.181 -9.059 1.00 0.00 C ATOM 927 CD2 LEU A 58 -5.279 6.423 -8.295 1.00 0.00 C ATOM 0 H LEU A 58 -8.999 5.098 -6.499 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.492 7.417 -6.876 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.439 5.136 -8.587 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.683 6.510 -9.369 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.347 5.006 -7.112 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.097 3.771 -8.838 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.839 3.412 -8.900 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.114 4.511 -10.097 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.304 5.983 -8.085 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.291 6.810 -9.314 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.468 7.238 -7.596 1.00 0.00 H new ATOM 939 N ASP A 59 -10.527 7.559 -8.071 1.00 0.00 N ATOM 940 CA ASP A 59 -11.525 8.447 -8.656 1.00 0.00 C ATOM 941 C ASP A 59 -11.742 9.675 -7.777 1.00 0.00 C ATOM 942 O ASP A 59 -11.631 10.809 -8.241 1.00 0.00 O ATOM 943 CB ASP A 59 -12.848 7.704 -8.851 1.00 0.00 C ATOM 944 CG ASP A 59 -13.865 8.525 -9.620 1.00 0.00 C ATOM 945 OD1 ASP A 59 -13.615 8.820 -10.807 1.00 0.00 O ATOM 946 OD2 ASP A 59 -14.911 8.872 -9.033 1.00 0.00 O ATOM 0 H ASP A 59 -10.899 6.671 -7.733 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.156 8.778 -9.627 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.662 6.771 -9.382 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.260 7.440 -7.877 1.00 0.00 H new ATOM 951 N GLN A 60 -12.054 9.439 -6.506 1.00 0.00 N ATOM 952 CA GLN A 60 -12.289 10.526 -5.563 1.00 0.00 C ATOM 953 C GLN A 60 -11.089 11.466 -5.506 1.00 0.00 C ATOM 954 O GLN A 60 -11.245 12.685 -5.455 1.00 0.00 O ATOM 955 CB GLN A 60 -12.580 9.966 -4.170 1.00 0.00 C ATOM 956 CG GLN A 60 -13.801 9.062 -4.120 1.00 0.00 C ATOM 957 CD GLN A 60 -15.067 9.765 -4.571 1.00 0.00 C ATOM 958 OE1 GLN A 60 -15.568 10.662 -3.892 1.00 0.00 O ATOM 959 NE2 GLN A 60 -15.591 9.361 -5.722 1.00 0.00 N ATOM 0 H GLN A 60 -12.150 8.505 -6.106 1.00 0.00 H new ATOM 0 HA GLN A 60 -13.154 11.092 -5.907 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.711 9.408 -3.823 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -12.724 10.795 -3.477 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.629 8.191 -4.752 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -13.936 8.696 -3.102 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.142 8.614 -6.252 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.442 9.798 -6.076 1.00 0.00 H new ATOM 968 N TRP A 61 -9.892 10.889 -5.515 1.00 0.00 N ATOM 969 CA TRP A 61 -8.665 11.676 -5.463 1.00 0.00 C ATOM 970 C TRP A 61 -8.734 12.856 -6.426 1.00 0.00 C ATOM 971 O TRP A 61 -8.476 13.997 -6.043 1.00 0.00 O ATOM 972 CB TRP A 61 -7.458 10.799 -5.798 1.00 0.00 C ATOM 973 CG TRP A 61 -6.321 11.560 -6.410 1.00 0.00 C ATOM 974 CD1 TRP A 61 -5.701 11.295 -7.597 1.00 0.00 C ATOM 975 CD2 TRP A 61 -5.668 12.711 -5.863 1.00 0.00 C ATOM 976 NE1 TRP A 61 -4.702 12.211 -7.821 1.00 0.00 N ATOM 977 CE2 TRP A 61 -4.662 13.091 -6.773 1.00 0.00 C ATOM 978 CE3 TRP A 61 -5.837 13.459 -4.694 1.00 0.00 C ATOM 979 CZ2 TRP A 61 -3.829 14.184 -6.548 1.00 0.00 C ATOM 980 CZ3 TRP A 61 -5.010 14.544 -4.472 1.00 0.00 C ATOM 981 CH2 TRP A 61 -4.017 14.898 -5.395 1.00 0.00 C ATOM 0 H TRP A 61 -9.745 9.881 -5.558 1.00 0.00 H new ATOM 0 HA TRP A 61 -8.554 12.063 -4.450 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -7.110 10.310 -4.888 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -7.770 10.012 -6.484 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.958 10.484 -8.262 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -4.089 12.232 -8.636 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.600 13.194 -3.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.062 14.459 -7.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.131 15.129 -3.572 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.387 15.752 -5.193 1.00 0.00 H new ATOM 992 N GLU A 62 -9.084 12.574 -7.677 1.00 0.00 N ATOM 993 CA GLU A 62 -9.187 13.614 -8.695 1.00 0.00 C ATOM 994 C GLU A 62 -10.383 14.522 -8.426 1.00 0.00 C ATOM 995 O GLU A 62 -10.410 15.674 -8.859 1.00 0.00 O ATOM 996 CB GLU A 62 -9.309 12.988 -10.085 1.00 0.00 C ATOM 997 CG GLU A 62 -8.585 11.659 -10.221 1.00 0.00 C ATOM 998 CD GLU A 62 -8.348 11.268 -11.667 1.00 0.00 C ATOM 999 OE1 GLU A 62 -7.765 12.083 -12.413 1.00 0.00 O ATOM 1000 OE2 GLU A 62 -8.745 10.149 -12.052 1.00 0.00 O ATOM 0 H GLU A 62 -9.301 11.635 -8.010 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.280 14.217 -8.655 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.364 12.843 -10.317 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.913 13.685 -10.824 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.628 11.716 -9.703 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.168 10.880 -9.729 1.00 0.00 H new ATOM 1007 N ILE A 63 -11.370 13.994 -7.710 1.00 0.00 N ATOM 1008 CA ILE A 63 -12.569 14.756 -7.384 1.00 0.00 C ATOM 1009 C ILE A 63 -12.269 15.836 -6.350 1.00 0.00 C ATOM 1010 O ILE A 63 -12.959 16.854 -6.282 1.00 0.00 O ATOM 1011 CB ILE A 63 -13.687 13.844 -6.847 1.00 0.00 C ATOM 1012 CG1 ILE A 63 -14.174 12.896 -7.945 1.00 0.00 C ATOM 1013 CG2 ILE A 63 -14.840 14.679 -6.310 1.00 0.00 C ATOM 1014 CD1 ILE A 63 -15.123 11.829 -7.446 1.00 0.00 C ATOM 0 H ILE A 63 -11.363 13.042 -7.345 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.906 15.224 -8.309 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.286 13.246 -6.029 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -14.670 13.478 -8.722 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.312 12.416 -8.408 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.622 14.020 -5.934 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -14.482 15.316 -5.501 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -15.243 15.300 -7.110 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -15.427 11.194 -8.278 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -14.624 11.223 -6.690 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -16.003 12.300 -7.009 1.00 0.00 H new ATOM 1026 N CYS A 64 -11.235 15.609 -5.548 1.00 0.00 N ATOM 1027 CA CYS A 64 -10.842 16.563 -4.517 1.00 0.00 C ATOM 1028 C CYS A 64 -9.604 17.345 -4.944 1.00 0.00 C ATOM 1029 O CYS A 64 -9.460 18.525 -4.622 1.00 0.00 O ATOM 1030 CB CYS A 64 -10.572 15.838 -3.198 1.00 0.00 C ATOM 1031 SG CYS A 64 -12.041 15.605 -2.170 1.00 0.00 S ATOM 0 H CYS A 64 -10.653 14.772 -5.592 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.663 17.266 -4.375 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -10.135 14.863 -3.414 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.831 16.401 -2.631 1.00 0.00 H new ATOM 0 HG CYS A 64 -11.712 14.981 -1.078 1.00 0.00 H new ATOM 1037 N LYS A 65 -8.711 16.680 -5.670 1.00 0.00 N ATOM 1038 CA LYS A 65 -7.484 17.312 -6.141 1.00 0.00 C ATOM 1039 C LYS A 65 -7.767 18.706 -6.692 1.00 0.00 C ATOM 1040 O LYS A 65 -8.872 19.010 -7.142 1.00 0.00 O ATOM 1041 CB LYS A 65 -6.825 16.450 -7.220 1.00 0.00 C ATOM 1042 CG LYS A 65 -7.269 16.796 -8.631 1.00 0.00 C ATOM 1043 CD LYS A 65 -6.525 15.971 -9.668 1.00 0.00 C ATOM 1044 CE LYS A 65 -5.125 16.514 -9.911 1.00 0.00 C ATOM 1045 NZ LYS A 65 -5.121 17.605 -10.924 1.00 0.00 N ATOM 0 H LYS A 65 -8.814 15.703 -5.945 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.805 17.406 -5.294 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.743 16.561 -7.151 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.051 15.402 -7.024 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.341 16.624 -8.729 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.098 17.856 -8.817 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.462 14.935 -9.334 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.084 15.971 -10.604 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.713 16.887 -8.974 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.475 15.706 -10.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.149 17.948 -11.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.491 17.243 -11.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.721 18.388 -10.594 1.00 0.00 H new ATOM 1059 N PRO A 66 -6.746 19.575 -6.657 1.00 0.00 N ATOM 1060 CA PRO A 66 -5.426 19.225 -6.123 1.00 0.00 C ATOM 1061 C PRO A 66 -5.445 19.036 -4.610 1.00 0.00 C ATOM 1062 O PRO A 66 -4.422 18.723 -4.000 1.00 0.00 O ATOM 1063 CB PRO A 66 -4.560 20.429 -6.501 1.00 0.00 C ATOM 1064 CG PRO A 66 -5.519 21.562 -6.624 1.00 0.00 C ATOM 1065 CD PRO A 66 -6.801 20.966 -7.137 1.00 0.00 C ATOM 0 HA PRO A 66 -5.062 18.279 -6.523 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.806 20.629 -5.739 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.029 20.256 -7.437 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.673 22.049 -5.661 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.140 22.321 -7.308 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.673 21.492 -6.747 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.860 21.014 -8.224 1.00 0.00 H new ATOM 1073 N LYS A 67 -6.614 19.228 -4.009 1.00 0.00 N ATOM 1074 CA LYS A 67 -6.767 19.078 -2.567 1.00 0.00 C ATOM 1075 C LYS A 67 -6.445 17.652 -2.131 1.00 0.00 C ATOM 1076 O LYS A 67 -6.632 16.703 -2.893 1.00 0.00 O ATOM 1077 CB LYS A 67 -8.192 19.442 -2.144 1.00 0.00 C ATOM 1078 CG LYS A 67 -8.658 20.788 -2.670 1.00 0.00 C ATOM 1079 CD LYS A 67 -7.897 21.933 -2.023 1.00 0.00 C ATOM 1080 CE LYS A 67 -8.237 23.266 -2.672 1.00 0.00 C ATOM 1081 NZ LYS A 67 -7.528 24.400 -2.017 1.00 0.00 N ATOM 0 H LYS A 67 -7.470 19.488 -4.499 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.065 19.755 -2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.875 18.668 -2.495 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.249 19.447 -1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.522 20.824 -3.751 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.725 20.905 -2.479 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.134 21.974 -0.960 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.825 21.751 -2.104 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.971 23.234 -3.729 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.313 23.432 -2.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.787 25.290 -2.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.801 24.447 -1.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.501 24.256 -2.090 1.00 0.00 H new ATOM 1095 N TYR A 68 -5.961 17.509 -0.902 1.00 0.00 N ATOM 1096 CA TYR A 68 -5.612 16.198 -0.366 1.00 0.00 C ATOM 1097 C TYR A 68 -6.861 15.354 -0.135 1.00 0.00 C ATOM 1098 O TYR A 68 -7.962 15.884 0.029 1.00 0.00 O ATOM 1099 CB TYR A 68 -4.835 16.350 0.943 1.00 0.00 C ATOM 1100 CG TYR A 68 -4.448 15.032 1.573 1.00 0.00 C ATOM 1101 CD1 TYR A 68 -3.312 14.348 1.158 1.00 0.00 C ATOM 1102 CD2 TYR A 68 -5.217 14.470 2.585 1.00 0.00 C ATOM 1103 CE1 TYR A 68 -2.955 13.142 1.731 1.00 0.00 C ATOM 1104 CE2 TYR A 68 -4.867 13.266 3.164 1.00 0.00 C ATOM 1105 CZ TYR A 68 -3.735 12.606 2.733 1.00 0.00 C ATOM 1106 OH TYR A 68 -3.382 11.406 3.307 1.00 0.00 O ATOM 0 H TYR A 68 -5.801 18.284 -0.258 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.983 15.690 -1.097 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.933 16.932 0.755 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.439 16.918 1.651 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -2.697 14.766 0.374 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -6.104 14.984 2.925 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -2.070 12.622 1.395 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.476 12.844 3.950 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.740 10.943 2.729 1.00 0.00 H new ATOM 1116 N LEU A 69 -6.684 14.038 -0.121 1.00 0.00 N ATOM 1117 CA LEU A 69 -7.795 13.118 0.091 1.00 0.00 C ATOM 1118 C LEU A 69 -7.505 12.172 1.253 1.00 0.00 C ATOM 1119 O LEU A 69 -6.464 11.519 1.289 1.00 0.00 O ATOM 1120 CB LEU A 69 -8.068 12.313 -1.181 1.00 0.00 C ATOM 1121 CG LEU A 69 -9.069 11.166 -1.048 1.00 0.00 C ATOM 1122 CD1 LEU A 69 -10.492 11.677 -1.214 1.00 0.00 C ATOM 1123 CD2 LEU A 69 -8.770 10.075 -2.066 1.00 0.00 C ATOM 0 H LEU A 69 -5.781 13.584 -0.254 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.679 13.706 0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.430 12.997 -1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.123 11.904 -1.538 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.972 10.739 -0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.191 10.846 -1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.703 12.421 -0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.603 12.130 -2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.493 9.267 -1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.838 10.488 -3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.765 9.688 -1.900 1.00 0.00 H new ATOM 1135 N ASN A 70 -8.436 12.103 2.199 1.00 0.00 N ATOM 1136 CA ASN A 70 -8.281 11.236 3.362 1.00 0.00 C ATOM 1137 C ASN A 70 -9.018 9.916 3.157 1.00 0.00 C ATOM 1138 O ASN A 70 -10.101 9.880 2.572 1.00 0.00 O ATOM 1139 CB ASN A 70 -8.802 11.935 4.619 1.00 0.00 C ATOM 1140 CG ASN A 70 -7.787 12.894 5.210 1.00 0.00 C ATOM 1141 OD1 ASN A 70 -7.008 12.526 6.089 1.00 0.00 O ATOM 1142 ND2 ASN A 70 -7.793 14.132 4.729 1.00 0.00 N ATOM 0 H ASN A 70 -9.305 12.637 2.183 1.00 0.00 H new ATOM 0 HA ASN A 70 -7.219 11.024 3.487 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.714 12.480 4.377 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -9.067 11.186 5.365 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.133 14.822 5.089 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.457 14.393 4.000 1.00 0.00 H new ATOM 1149 N LYS A 71 -8.424 8.832 3.644 1.00 0.00 N ATOM 1150 CA LYS A 71 -9.023 7.508 3.518 1.00 0.00 C ATOM 1151 C LYS A 71 -10.403 7.472 4.166 1.00 0.00 C ATOM 1152 O LYS A 71 -11.249 6.652 3.806 1.00 0.00 O ATOM 1153 CB LYS A 71 -8.119 6.453 4.159 1.00 0.00 C ATOM 1154 CG LYS A 71 -7.777 6.746 5.610 1.00 0.00 C ATOM 1155 CD LYS A 71 -7.257 5.508 6.321 1.00 0.00 C ATOM 1156 CE LYS A 71 -8.397 4.646 6.844 1.00 0.00 C ATOM 1157 NZ LYS A 71 -9.031 3.847 5.759 1.00 0.00 N ATOM 0 H LYS A 71 -7.527 8.844 4.130 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.133 7.286 2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.609 5.481 4.099 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.196 6.380 3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.027 7.535 5.656 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.662 7.118 6.126 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.643 4.924 5.635 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.615 5.806 7.150 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.020 3.975 7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.148 5.282 7.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.328 2.924 6.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.861 4.355 5.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.347 3.703 4.989 1.00 0.00 H new ATOM 1171 N THR A 72 -10.626 8.367 5.124 1.00 0.00 N ATOM 1172 CA THR A 72 -11.904 8.437 5.821 1.00 0.00 C ATOM 1173 C THR A 72 -13.012 8.922 4.893 1.00 0.00 C ATOM 1174 O THR A 72 -14.196 8.759 5.186 1.00 0.00 O ATOM 1175 CB THR A 72 -11.827 9.373 7.042 1.00 0.00 C ATOM 1176 OG1 THR A 72 -10.681 9.048 7.837 1.00 0.00 O ATOM 1177 CG2 THR A 72 -13.086 9.264 7.889 1.00 0.00 C ATOM 0 H THR A 72 -9.938 9.053 5.434 1.00 0.00 H new ATOM 0 HA THR A 72 -12.134 7.427 6.160 1.00 0.00 H new ATOM 0 HB THR A 72 -11.740 10.398 6.681 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.638 9.649 8.610 1.00 0.00 H new ATOM 0 HG21 THR A 72 -13.008 9.934 8.745 1.00 0.00 H new ATOM 0 HG22 THR A 72 -13.953 9.541 7.289 1.00 0.00 H new ATOM 0 HG23 THR A 72 -13.200 8.239 8.240 1.00 0.00 H new ATOM 1185 N SER A 73 -12.619 9.518 3.772 1.00 0.00 N ATOM 1186 CA SER A 73 -13.580 10.029 2.801 1.00 0.00 C ATOM 1187 C SER A 73 -14.122 8.902 1.928 1.00 0.00 C ATOM 1188 O SER A 73 -15.141 9.057 1.255 1.00 0.00 O ATOM 1189 CB SER A 73 -12.929 11.101 1.924 1.00 0.00 C ATOM 1190 OG SER A 73 -13.906 11.832 1.204 1.00 0.00 O ATOM 0 H SER A 73 -11.642 9.659 3.514 1.00 0.00 H new ATOM 0 HA SER A 73 -14.412 10.473 3.348 1.00 0.00 H new ATOM 0 HB2 SER A 73 -12.347 11.781 2.546 1.00 0.00 H new ATOM 0 HB3 SER A 73 -12.234 10.633 1.227 1.00 0.00 H new ATOM 0 HG SER A 73 -14.686 11.262 1.040 1.00 0.00 H new ATOM 1196 N VAL A 74 -13.433 7.765 1.944 1.00 0.00 N ATOM 1197 CA VAL A 74 -13.845 6.610 1.155 1.00 0.00 C ATOM 1198 C VAL A 74 -14.236 5.442 2.054 1.00 0.00 C ATOM 1199 O VAL A 74 -14.664 4.393 1.574 1.00 0.00 O ATOM 1200 CB VAL A 74 -12.726 6.156 0.199 1.00 0.00 C ATOM 1201 CG1 VAL A 74 -12.260 7.316 -0.667 1.00 0.00 C ATOM 1202 CG2 VAL A 74 -11.564 5.563 0.982 1.00 0.00 C ATOM 0 H VAL A 74 -12.587 7.619 2.495 1.00 0.00 H new ATOM 0 HA VAL A 74 -14.710 6.919 0.569 1.00 0.00 H new ATOM 0 HB VAL A 74 -13.124 5.382 -0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.469 6.976 -1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -13.098 7.690 -1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.879 8.115 -0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.783 5.248 0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -11.164 6.314 1.664 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.912 4.702 1.553 1.00 0.00 H new ATOM 1212 N ARG A 75 -14.085 5.632 3.361 1.00 0.00 N ATOM 1213 CA ARG A 75 -14.422 4.594 4.327 1.00 0.00 C ATOM 1214 C ARG A 75 -15.896 4.213 4.225 1.00 0.00 C ATOM 1215 O ARG A 75 -16.248 3.065 3.954 1.00 0.00 O ATOM 1216 CB ARG A 75 -14.103 5.066 5.747 1.00 0.00 C ATOM 1217 CG ARG A 75 -12.725 4.649 6.233 1.00 0.00 C ATOM 1218 CD ARG A 75 -12.685 4.519 7.748 1.00 0.00 C ATOM 1219 NE ARG A 75 -13.817 3.753 8.262 1.00 0.00 N ATOM 1220 CZ ARG A 75 -14.204 3.776 9.532 1.00 0.00 C ATOM 1221 NH1 ARG A 75 -13.554 4.523 10.413 1.00 0.00 N ATOM 1222 NH2 ARG A 75 -15.245 3.051 9.924 1.00 0.00 N ATOM 0 H ARG A 75 -13.732 6.495 3.775 1.00 0.00 H new ATOM 0 HA ARG A 75 -13.821 3.713 4.100 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.179 6.153 5.785 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.855 4.670 6.430 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.450 3.698 5.778 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.986 5.383 5.910 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.755 4.035 8.046 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.686 5.512 8.197 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.339 3.168 7.610 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.754 5.082 10.116 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -13.854 4.539 11.388 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.749 2.475 9.249 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.541 3.070 10.900 1.00 0.00 H new ATOM 1236 N PRO A 76 -16.778 5.198 4.447 1.00 0.00 N ATOM 1237 CA PRO A 76 -18.228 4.990 4.385 1.00 0.00 C ATOM 1238 C PRO A 76 -18.718 4.739 2.963 1.00 0.00 C ATOM 1239 O PRO A 76 -19.894 4.453 2.742 1.00 0.00 O ATOM 1240 CB PRO A 76 -18.798 6.306 4.922 1.00 0.00 C ATOM 1241 CG PRO A 76 -17.739 7.317 4.647 1.00 0.00 C ATOM 1242 CD PRO A 76 -16.429 6.591 4.774 1.00 0.00 C ATOM 0 HA PRO A 76 -18.538 4.112 4.951 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -19.732 6.565 4.424 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -19.014 6.238 5.988 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -17.855 7.741 3.650 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -17.797 8.144 5.354 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -15.681 6.989 4.089 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -16.018 6.677 5.780 1.00 0.00 H new ATOM 1250 N GLY A 77 -17.807 4.846 2.000 1.00 0.00 N ATOM 1251 CA GLY A 77 -18.166 4.627 0.611 1.00 0.00 C ATOM 1252 C GLY A 77 -18.093 3.165 0.218 1.00 0.00 C ATOM 1253 O GLY A 77 -19.033 2.624 -0.366 1.00 0.00 O ATOM 0 H GLY A 77 -16.827 5.080 2.157 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -19.176 4.997 0.437 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -17.500 5.206 -0.029 1.00 0.00 H new ATOM 1257 N LEU A 78 -16.974 2.524 0.535 1.00 0.00 N ATOM 1258 CA LEU A 78 -16.781 1.115 0.210 1.00 0.00 C ATOM 1259 C LEU A 78 -16.874 0.249 1.462 1.00 0.00 C ATOM 1260 O LEU A 78 -15.879 -0.318 1.914 1.00 0.00 O ATOM 1261 CB LEU A 78 -15.424 0.909 -0.467 1.00 0.00 C ATOM 1262 CG LEU A 78 -15.218 1.641 -1.793 1.00 0.00 C ATOM 1263 CD1 LEU A 78 -16.320 1.283 -2.777 1.00 0.00 C ATOM 1264 CD2 LEU A 78 -15.167 3.145 -1.570 1.00 0.00 C ATOM 0 H LEU A 78 -16.186 2.957 1.017 1.00 0.00 H new ATOM 0 HA LEU A 78 -17.573 0.814 -0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.643 1.226 0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.284 -0.158 -0.639 1.00 0.00 H new ATOM 0 HG LEU A 78 -14.265 1.325 -2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.157 1.814 -3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -16.309 0.209 -2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -17.286 1.570 -2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -15.020 3.650 -2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.104 3.479 -1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.341 3.386 -0.901 1.00 0.00 H new ATOM 1276 N LYS A 79 -18.077 0.148 2.017 1.00 0.00 N ATOM 1277 CA LYS A 79 -18.303 -0.652 3.215 1.00 0.00 C ATOM 1278 C LYS A 79 -18.461 -2.127 2.862 1.00 0.00 C ATOM 1279 O LYS A 79 -17.615 -2.951 3.206 1.00 0.00 O ATOM 1280 CB LYS A 79 -19.547 -0.157 3.956 1.00 0.00 C ATOM 1281 CG LYS A 79 -19.461 1.297 4.387 1.00 0.00 C ATOM 1282 CD LYS A 79 -20.724 1.741 5.106 1.00 0.00 C ATOM 1283 CE LYS A 79 -20.631 1.487 6.603 1.00 0.00 C ATOM 1284 NZ LYS A 79 -21.847 1.957 7.322 1.00 0.00 N ATOM 0 H LYS A 79 -18.911 0.611 1.656 1.00 0.00 H new ATOM 0 HA LYS A 79 -17.434 -0.543 3.864 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -20.418 -0.286 3.313 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -19.707 -0.779 4.837 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -18.601 1.433 5.043 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -19.298 1.928 3.513 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -20.893 2.803 4.926 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -21.583 1.208 4.698 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -20.492 0.421 6.782 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -19.753 1.994 7.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -21.744 1.766 8.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -21.966 2.979 7.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -22.682 1.455 6.958 1.00 0.00 H new ATOM 1298 N ASN A 80 -19.550 -2.453 2.173 1.00 0.00 N ATOM 1299 CA ASN A 80 -19.818 -3.829 1.773 1.00 0.00 C ATOM 1300 C ASN A 80 -18.540 -4.517 1.301 1.00 0.00 C ATOM 1301 O ASN A 80 -17.994 -5.377 1.993 1.00 0.00 O ATOM 1302 CB ASN A 80 -20.869 -3.864 0.662 1.00 0.00 C ATOM 1303 CG ASN A 80 -21.087 -5.262 0.115 1.00 0.00 C ATOM 1304 OD1 ASN A 80 -20.290 -6.167 0.361 1.00 0.00 O ATOM 1305 ND2 ASN A 80 -22.169 -5.442 -0.633 1.00 0.00 N ATOM 0 H ASN A 80 -20.261 -1.783 1.880 1.00 0.00 H new ATOM 0 HA ASN A 80 -20.199 -4.366 2.642 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -21.812 -3.476 1.046 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -20.559 -3.204 -0.148 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -22.367 -6.360 -1.030 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -22.802 -4.662 -0.810 1.00 0.00 H new ATOM 1312 N CYS A 81 -18.070 -4.132 0.120 1.00 0.00 N ATOM 1313 CA CYS A 81 -16.856 -4.712 -0.445 1.00 0.00 C ATOM 1314 C CYS A 81 -15.632 -4.318 0.375 1.00 0.00 C ATOM 1315 O CYS A 81 -15.216 -3.160 0.371 1.00 0.00 O ATOM 1316 CB CYS A 81 -16.679 -4.262 -1.896 1.00 0.00 C ATOM 1317 SG CYS A 81 -17.925 -4.918 -3.030 1.00 0.00 S ATOM 0 H CYS A 81 -18.510 -3.422 -0.465 1.00 0.00 H new ATOM 0 HA CYS A 81 -16.955 -5.797 -0.418 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -16.707 -3.173 -1.933 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -15.692 -4.568 -2.242 1.00 0.00 H new ATOM 0 HG CYS A 81 -17.360 -5.245 -4.154 1.00 0.00 H new ATOM 1323 N GLY A 82 -15.061 -5.290 1.080 1.00 0.00 N ATOM 1324 CA GLY A 82 -13.891 -5.024 1.897 1.00 0.00 C ATOM 1325 C GLY A 82 -14.190 -4.084 3.048 1.00 0.00 C ATOM 1326 O GLY A 82 -15.248 -3.456 3.088 1.00 0.00 O ATOM 0 H GLY A 82 -15.387 -6.256 1.100 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.505 -5.964 2.291 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.107 -4.593 1.274 1.00 0.00 H new ATOM 1330 N ASP A 83 -13.256 -3.988 3.989 1.00 0.00 N ATOM 1331 CA ASP A 83 -13.425 -3.118 5.147 1.00 0.00 C ATOM 1332 C ASP A 83 -12.192 -2.243 5.353 1.00 0.00 C ATOM 1333 O ASP A 83 -11.183 -2.401 4.666 1.00 0.00 O ATOM 1334 CB ASP A 83 -13.691 -3.950 6.402 1.00 0.00 C ATOM 1335 CG ASP A 83 -14.531 -3.207 7.422 1.00 0.00 C ATOM 1336 OD1 ASP A 83 -15.730 -2.985 7.154 1.00 0.00 O ATOM 1337 OD2 ASP A 83 -13.989 -2.847 8.489 1.00 0.00 O ATOM 0 H ASP A 83 -12.375 -4.502 3.972 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.282 -2.470 4.962 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -14.198 -4.873 6.122 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.741 -4.233 6.855 1.00 0.00 H new ATOM 1342 N VAL A 84 -12.281 -1.319 6.305 1.00 0.00 N ATOM 1343 CA VAL A 84 -11.173 -0.419 6.602 1.00 0.00 C ATOM 1344 C VAL A 84 -9.836 -1.146 6.516 1.00 0.00 C ATOM 1345 O VAL A 84 -8.944 -0.739 5.773 1.00 0.00 O ATOM 1346 CB VAL A 84 -11.317 0.204 8.003 1.00 0.00 C ATOM 1347 CG1 VAL A 84 -10.075 1.007 8.361 1.00 0.00 C ATOM 1348 CG2 VAL A 84 -12.563 1.074 8.074 1.00 0.00 C ATOM 0 H VAL A 84 -13.109 -1.174 6.883 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.200 0.374 5.855 1.00 0.00 H new ATOM 0 HB VAL A 84 -11.422 -0.601 8.730 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -10.195 1.440 9.354 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -9.204 0.352 8.353 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -9.935 1.805 7.632 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -12.649 1.506 9.071 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -12.491 1.874 7.337 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -13.443 0.466 7.865 1.00 0.00 H new ATOM 1358 N ASN A 85 -9.705 -2.225 7.280 1.00 0.00 N ATOM 1359 CA ASN A 85 -8.475 -3.010 7.291 1.00 0.00 C ATOM 1360 C ASN A 85 -7.875 -3.099 5.891 1.00 0.00 C ATOM 1361 O ASN A 85 -6.673 -2.908 5.707 1.00 0.00 O ATOM 1362 CB ASN A 85 -8.747 -4.415 7.831 1.00 0.00 C ATOM 1363 CG ASN A 85 -7.510 -5.051 8.436 1.00 0.00 C ATOM 1364 OD1 ASN A 85 -7.552 -5.585 9.544 1.00 0.00 O ATOM 1365 ND2 ASN A 85 -6.401 -4.997 7.707 1.00 0.00 N ATOM 0 H ASN A 85 -10.435 -2.576 7.900 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.759 -2.509 7.943 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -9.533 -4.366 8.585 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -9.119 -5.046 7.024 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -5.537 -5.409 8.061 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -6.413 -4.544 6.793 1.00 0.00 H new ATOM 1372 N CYS A 86 -8.721 -3.389 4.908 1.00 0.00 N ATOM 1373 CA CYS A 86 -8.274 -3.503 3.524 1.00 0.00 C ATOM 1374 C CYS A 86 -8.110 -2.126 2.890 1.00 0.00 C ATOM 1375 O CYS A 86 -7.100 -1.846 2.243 1.00 0.00 O ATOM 1376 CB CYS A 86 -9.268 -4.336 2.713 1.00 0.00 C ATOM 1377 SG CYS A 86 -9.284 -6.092 3.143 1.00 0.00 S ATOM 0 H CYS A 86 -9.719 -3.549 5.044 1.00 0.00 H new ATOM 0 HA CYS A 86 -7.305 -4.002 3.521 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -10.269 -3.929 2.856 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -9.031 -4.235 1.654 1.00 0.00 H new ATOM 0 HG CYS A 86 -9.063 -6.802 2.077 1.00 0.00 H new ATOM 1383 N ILE A 87 -9.108 -1.270 3.080 1.00 0.00 N ATOM 1384 CA ILE A 87 -9.074 0.078 2.526 1.00 0.00 C ATOM 1385 C ILE A 87 -7.729 0.746 2.787 1.00 0.00 C ATOM 1386 O ILE A 87 -7.064 1.211 1.863 1.00 0.00 O ATOM 1387 CB ILE A 87 -10.194 0.957 3.114 1.00 0.00 C ATOM 1388 CG1 ILE A 87 -11.565 0.426 2.689 1.00 0.00 C ATOM 1389 CG2 ILE A 87 -10.019 2.402 2.673 1.00 0.00 C ATOM 1390 CD1 ILE A 87 -12.669 0.753 3.669 1.00 0.00 C ATOM 0 H ILE A 87 -9.950 -1.486 3.613 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.226 -0.019 1.451 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.133 0.920 4.202 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -11.820 0.842 1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.505 -0.656 2.569 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.818 3.011 3.096 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.056 2.774 3.021 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -10.058 2.458 1.585 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -13.612 0.346 3.304 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -12.436 0.314 4.639 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -12.756 1.835 3.771 1.00 0.00 H new ATOM 1402 N GLY A 88 -7.331 0.787 4.056 1.00 0.00 N ATOM 1403 CA GLY A 88 -6.065 1.398 4.417 1.00 0.00 C ATOM 1404 C GLY A 88 -4.904 0.845 3.614 1.00 0.00 C ATOM 1405 O GLY A 88 -4.030 1.594 3.177 1.00 0.00 O ATOM 0 H GLY A 88 -7.863 0.408 4.840 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.128 2.475 4.264 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.877 1.238 5.479 1.00 0.00 H new ATOM 1409 N ARG A 89 -4.894 -0.470 3.421 1.00 0.00 N ATOM 1410 CA ARG A 89 -3.830 -1.123 2.668 1.00 0.00 C ATOM 1411 C ARG A 89 -3.752 -0.572 1.248 1.00 0.00 C ATOM 1412 O ARG A 89 -2.666 -0.290 0.740 1.00 0.00 O ATOM 1413 CB ARG A 89 -4.059 -2.635 2.628 1.00 0.00 C ATOM 1414 CG ARG A 89 -3.904 -3.311 3.981 1.00 0.00 C ATOM 1415 CD ARG A 89 -3.494 -4.768 3.832 1.00 0.00 C ATOM 1416 NE ARG A 89 -3.612 -5.500 5.090 1.00 0.00 N ATOM 1417 CZ ARG A 89 -3.682 -6.825 5.165 1.00 0.00 C ATOM 1418 NH1 ARG A 89 -3.646 -7.558 4.061 1.00 0.00 N ATOM 1419 NH2 ARG A 89 -3.788 -7.419 6.347 1.00 0.00 N ATOM 0 H ARG A 89 -5.610 -1.104 3.775 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.885 -0.919 3.171 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -5.060 -2.832 2.245 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.356 -3.082 1.925 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.157 -2.780 4.571 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.844 -3.251 4.529 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.117 -5.245 3.075 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.465 -4.821 3.477 1.00 0.00 H new ATOM 0 HE ARG A 89 -3.642 -4.965 5.958 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -3.564 -7.105 3.151 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -3.700 -8.575 4.122 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.816 -6.859 7.199 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.842 -8.436 6.404 1.00 0.00 H new ATOM 1433 N ILE A 90 -4.909 -0.422 0.612 1.00 0.00 N ATOM 1434 CA ILE A 90 -4.971 0.095 -0.749 1.00 0.00 C ATOM 1435 C ILE A 90 -4.647 1.585 -0.786 1.00 0.00 C ATOM 1436 O ILE A 90 -3.726 2.014 -1.482 1.00 0.00 O ATOM 1437 CB ILE A 90 -6.359 -0.132 -1.375 1.00 0.00 C ATOM 1438 CG1 ILE A 90 -6.761 -1.604 -1.257 1.00 0.00 C ATOM 1439 CG2 ILE A 90 -6.362 0.308 -2.832 1.00 0.00 C ATOM 1440 CD1 ILE A 90 -8.253 -1.833 -1.352 1.00 0.00 C ATOM 0 H ILE A 90 -5.816 -0.651 1.018 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.227 -0.451 -1.328 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.088 0.470 -0.833 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.264 -2.172 -2.043 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.402 -1.995 -0.305 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.350 0.141 -3.260 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.114 1.368 -2.893 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.623 -0.269 -3.388 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.464 -2.898 -1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.756 -1.293 -0.550 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.616 -1.473 -2.315 1.00 0.00 H new ATOM 1452 N HIS A 91 -5.409 2.370 -0.031 1.00 0.00 N ATOM 1453 CA HIS A 91 -5.202 3.812 0.025 1.00 0.00 C ATOM 1454 C HIS A 91 -3.729 4.141 0.246 1.00 0.00 C ATOM 1455 O HIS A 91 -3.120 4.870 -0.539 1.00 0.00 O ATOM 1456 CB HIS A 91 -6.047 4.427 1.142 1.00 0.00 C ATOM 1457 CG HIS A 91 -6.228 5.908 1.009 1.00 0.00 C ATOM 1458 ND1 HIS A 91 -5.299 6.823 1.457 1.00 0.00 N ATOM 1459 CD2 HIS A 91 -7.239 6.631 0.474 1.00 0.00 C ATOM 1460 CE1 HIS A 91 -5.732 8.046 1.204 1.00 0.00 C ATOM 1461 NE2 HIS A 91 -6.907 7.957 0.607 1.00 0.00 N ATOM 0 H HIS A 91 -6.176 2.031 0.550 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.512 4.236 -0.930 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -7.026 3.949 1.151 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.578 4.211 2.102 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.140 6.238 0.026 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -5.213 8.962 1.444 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -7.475 8.745 0.296 1.00 0.00 H new ATOM 1469 N THR A 92 -3.161 3.601 1.319 1.00 0.00 N ATOM 1470 CA THR A 92 -1.760 3.839 1.644 1.00 0.00 C ATOM 1471 C THR A 92 -0.864 3.580 0.438 1.00 0.00 C ATOM 1472 O THR A 92 -0.274 4.505 -0.119 1.00 0.00 O ATOM 1473 CB THR A 92 -1.296 2.950 2.814 1.00 0.00 C ATOM 1474 OG1 THR A 92 -2.104 3.200 3.969 1.00 0.00 O ATOM 1475 CG2 THR A 92 0.165 3.212 3.145 1.00 0.00 C ATOM 0 H THR A 92 -3.650 2.995 1.978 1.00 0.00 H new ATOM 0 HA THR A 92 -1.677 4.886 1.937 1.00 0.00 H new ATOM 0 HB THR A 92 -1.403 1.907 2.515 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.826 2.539 4.012 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.470 2.573 3.974 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.781 2.993 2.272 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.293 4.257 3.426 1.00 0.00 H new ATOM 1483 N TYR A 93 -0.768 2.317 0.039 1.00 0.00 N ATOM 1484 CA TYR A 93 0.057 1.936 -1.101 1.00 0.00 C ATOM 1485 C TYR A 93 -0.043 2.972 -2.217 1.00 0.00 C ATOM 1486 O TYR A 93 0.928 3.663 -2.528 1.00 0.00 O ATOM 1487 CB TYR A 93 -0.364 0.562 -1.627 1.00 0.00 C ATOM 1488 CG TYR A 93 0.102 0.285 -3.038 1.00 0.00 C ATOM 1489 CD1 TYR A 93 1.456 0.236 -3.346 1.00 0.00 C ATOM 1490 CD2 TYR A 93 -0.811 0.072 -4.063 1.00 0.00 C ATOM 1491 CE1 TYR A 93 1.887 -0.016 -4.634 1.00 0.00 C ATOM 1492 CE2 TYR A 93 -0.389 -0.182 -5.354 1.00 0.00 C ATOM 1493 CZ TYR A 93 0.960 -0.225 -5.635 1.00 0.00 C ATOM 1494 OH TYR A 93 1.384 -0.477 -6.919 1.00 0.00 O ATOM 0 H TYR A 93 -1.251 1.539 0.488 1.00 0.00 H new ATOM 0 HA TYR A 93 1.093 1.888 -0.766 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.032 -0.208 -0.965 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.451 0.486 -1.591 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.184 0.398 -2.565 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.869 0.105 -3.847 1.00 0.00 H new ATOM 0 HE1 TYR A 93 2.943 -0.049 -4.856 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.112 -0.346 -6.139 1.00 0.00 H new ATOM 0 HH TYR A 93 2.164 -1.069 -6.895 1.00 0.00 H new ATOM 1504 N LEU A 94 -1.225 3.075 -2.815 1.00 0.00 N ATOM 1505 CA LEU A 94 -1.455 4.027 -3.896 1.00 0.00 C ATOM 1506 C LEU A 94 -0.831 5.380 -3.572 1.00 0.00 C ATOM 1507 O LEU A 94 -0.395 6.103 -4.467 1.00 0.00 O ATOM 1508 CB LEU A 94 -2.955 4.191 -4.147 1.00 0.00 C ATOM 1509 CG LEU A 94 -3.695 2.945 -4.635 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -5.146 2.974 -4.181 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -3.610 2.835 -6.150 1.00 0.00 C ATOM 0 H LEU A 94 -2.039 2.511 -2.570 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.983 3.637 -4.797 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.423 4.528 -3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.095 4.983 -4.882 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.217 2.067 -4.199 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.657 2.080 -4.538 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.186 3.005 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.637 3.858 -4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.142 1.943 -6.480 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.062 3.716 -6.605 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.565 2.767 -6.452 1.00 0.00 H new ATOM 1523 N GLU A 95 -0.790 5.715 -2.286 1.00 0.00 N ATOM 1524 CA GLU A 95 -0.217 6.981 -1.844 1.00 0.00 C ATOM 1525 C GLU A 95 1.308 6.911 -1.823 1.00 0.00 C ATOM 1526 O GLU A 95 1.990 7.905 -2.073 1.00 0.00 O ATOM 1527 CB GLU A 95 -0.741 7.346 -0.454 1.00 0.00 C ATOM 1528 CG GLU A 95 -0.660 8.831 -0.143 1.00 0.00 C ATOM 1529 CD GLU A 95 -1.660 9.262 0.912 1.00 0.00 C ATOM 1530 OE1 GLU A 95 -2.563 8.463 1.235 1.00 0.00 O ATOM 1531 OE2 GLU A 95 -1.539 10.399 1.414 1.00 0.00 O ATOM 0 H GLU A 95 -1.147 5.127 -1.532 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.518 7.753 -2.552 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.778 7.022 -0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.173 6.795 0.295 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.347 9.073 0.196 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.834 9.400 -1.057 1.00 0.00 H new ATOM 1538 N LEU A 96 1.835 5.729 -1.524 1.00 0.00 N ATOM 1539 CA LEU A 96 3.279 5.527 -1.469 1.00 0.00 C ATOM 1540 C LEU A 96 3.883 5.534 -2.870 1.00 0.00 C ATOM 1541 O LEU A 96 5.044 5.901 -3.054 1.00 0.00 O ATOM 1542 CB LEU A 96 3.603 4.207 -0.768 1.00 0.00 C ATOM 1543 CG LEU A 96 2.958 3.998 0.602 1.00 0.00 C ATOM 1544 CD1 LEU A 96 3.264 2.605 1.130 1.00 0.00 C ATOM 1545 CD2 LEU A 96 3.436 5.059 1.583 1.00 0.00 C ATOM 0 H LEU A 96 1.284 4.896 -1.316 1.00 0.00 H new ATOM 0 HA LEU A 96 3.715 6.349 -0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.298 3.388 -1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.685 4.136 -0.653 1.00 0.00 H new ATOM 0 HG LEU A 96 1.878 4.093 0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.797 2.475 2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.872 1.859 0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.343 2.481 1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.967 4.895 2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.519 4.996 1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.165 6.047 1.211 1.00 0.00 H new ATOM 1557 N ILE A 97 3.087 5.129 -3.854 1.00 0.00 N ATOM 1558 CA ILE A 97 3.543 5.093 -5.238 1.00 0.00 C ATOM 1559 C ILE A 97 3.306 6.430 -5.930 1.00 0.00 C ATOM 1560 O ILE A 97 3.866 6.700 -6.992 1.00 0.00 O ATOM 1561 CB ILE A 97 2.833 3.982 -6.035 1.00 0.00 C ATOM 1562 CG1 ILE A 97 1.334 3.984 -5.731 1.00 0.00 C ATOM 1563 CG2 ILE A 97 3.443 2.626 -5.711 1.00 0.00 C ATOM 1564 CD1 ILE A 97 0.529 3.096 -6.653 1.00 0.00 C ATOM 0 H ILE A 97 2.124 4.821 -3.719 1.00 0.00 H new ATOM 0 HA ILE A 97 4.613 4.885 -5.213 1.00 0.00 H new ATOM 0 HB ILE A 97 2.969 4.175 -7.099 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.180 3.660 -4.702 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.958 5.005 -5.803 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.931 1.851 -6.282 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.501 2.631 -5.974 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.335 2.423 -4.645 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.525 3.147 -6.379 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.653 3.433 -7.682 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.878 2.067 -6.563 1.00 0.00 H new ATOM 1576 N GLY A 98 2.471 7.267 -5.320 1.00 0.00 N ATOM 1577 CA GLY A 98 2.175 8.568 -5.892 1.00 0.00 C ATOM 1578 C GLY A 98 0.840 8.597 -6.607 1.00 0.00 C ATOM 1579 O GLY A 98 0.224 9.653 -6.744 1.00 0.00 O ATOM 0 H GLY A 98 1.995 7.067 -4.440 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.176 9.318 -5.101 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.964 8.842 -6.592 1.00 0.00 H new ATOM 1583 N ALA A 99 0.391 7.433 -7.067 1.00 0.00 N ATOM 1584 CA ALA A 99 -0.880 7.330 -7.772 1.00 0.00 C ATOM 1585 C ALA A 99 -1.905 8.305 -7.203 1.00 0.00 C ATOM 1586 O ALA A 99 -2.746 8.832 -7.933 1.00 0.00 O ATOM 1587 CB ALA A 99 -1.409 5.905 -7.701 1.00 0.00 C ATOM 0 H ALA A 99 0.889 6.549 -6.964 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.709 7.592 -8.816 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.359 5.843 -8.232 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.691 5.227 -8.162 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.557 5.623 -6.658 1.00 0.00 H new ATOM 1593 N ILE A 100 -1.830 8.540 -5.898 1.00 0.00 N ATOM 1594 CA ILE A 100 -2.751 9.453 -5.232 1.00 0.00 C ATOM 1595 C ILE A 100 -2.025 10.313 -4.203 1.00 0.00 C ATOM 1596 O ILE A 100 -1.078 9.863 -3.560 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.892 8.691 -4.534 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -3.324 7.673 -3.543 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -4.775 8.000 -5.563 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -4.323 7.221 -2.501 1.00 0.00 C ATOM 0 H ILE A 100 -1.141 8.111 -5.280 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.173 10.095 -6.005 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.502 9.406 -3.982 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.967 6.803 -4.093 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.460 8.109 -3.041 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.577 7.466 -5.054 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.204 8.745 -6.233 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.177 7.294 -6.140 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.851 6.500 -1.833 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.662 8.082 -1.925 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.176 6.755 -2.993 1.00 0.00 H new ATOM 1612 N ASN A 101 -2.478 11.553 -4.052 1.00 0.00 N ATOM 1613 CA ASN A 101 -1.872 12.477 -3.099 1.00 0.00 C ATOM 1614 C ASN A 101 -0.357 12.526 -3.276 1.00 0.00 C ATOM 1615 O ASN A 101 0.396 12.346 -2.320 1.00 0.00 O ATOM 1616 CB ASN A 101 -2.216 12.064 -1.667 1.00 0.00 C ATOM 1617 CG ASN A 101 -3.671 11.664 -1.515 1.00 0.00 C ATOM 1618 OD1 ASN A 101 -4.505 11.979 -2.364 1.00 0.00 O ATOM 1619 ND2 ASN A 101 -3.982 10.967 -0.428 1.00 0.00 N ATOM 0 H ASN A 101 -3.262 11.941 -4.576 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.275 13.472 -3.290 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.580 11.231 -1.369 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -1.996 12.890 -0.991 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -4.945 10.670 -0.271 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -3.258 10.728 0.249 1.00 0.00 H new ATOM 1626 N PHE A 102 0.081 12.770 -4.507 1.00 0.00 N ATOM 1627 CA PHE A 102 1.506 12.842 -4.810 1.00 0.00 C ATOM 1628 C PHE A 102 2.091 14.177 -4.359 1.00 0.00 C ATOM 1629 O PHE A 102 1.482 15.229 -4.546 1.00 0.00 O ATOM 1630 CB PHE A 102 1.740 12.650 -6.310 1.00 0.00 C ATOM 1631 CG PHE A 102 3.176 12.812 -6.718 1.00 0.00 C ATOM 1632 CD1 PHE A 102 3.693 14.067 -6.998 1.00 0.00 C ATOM 1633 CD2 PHE A 102 4.010 11.710 -6.822 1.00 0.00 C ATOM 1634 CE1 PHE A 102 5.015 14.219 -7.374 1.00 0.00 C ATOM 1635 CE2 PHE A 102 5.332 11.856 -7.198 1.00 0.00 C ATOM 1636 CZ PHE A 102 5.835 13.112 -7.473 1.00 0.00 C ATOM 0 H PHE A 102 -0.530 12.921 -5.310 1.00 0.00 H new ATOM 0 HA PHE A 102 2.009 12.043 -4.266 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.399 11.656 -6.599 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.131 13.368 -6.859 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.056 14.936 -6.922 1.00 0.00 H new ATOM 0 HD2 PHE A 102 3.622 10.725 -6.607 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.406 15.202 -7.590 1.00 0.00 H new ATOM 0 HE2 PHE A 102 5.971 10.989 -7.277 1.00 0.00 H new ATOM 0 HZ PHE A 102 6.868 13.229 -7.765 1.00 0.00 H new ATOM 1646 N GLY A 103 3.279 14.125 -3.763 1.00 0.00 N ATOM 1647 CA GLY A 103 3.927 15.336 -3.294 1.00 0.00 C ATOM 1648 C GLY A 103 2.977 16.249 -2.544 1.00 0.00 C ATOM 1649 O GLY A 103 2.586 17.300 -3.052 1.00 0.00 O ATOM 0 H GLY A 103 3.804 13.266 -3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.760 15.070 -2.643 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.346 15.873 -4.145 1.00 0.00 H new ATOM 1653 N CYS A 104 2.604 15.847 -1.334 1.00 0.00 N ATOM 1654 CA CYS A 104 1.691 16.636 -0.514 1.00 0.00 C ATOM 1655 C CYS A 104 2.245 16.816 0.895 1.00 0.00 C ATOM 1656 O CYS A 104 3.264 16.225 1.252 1.00 0.00 O ATOM 1657 CB CYS A 104 0.318 15.965 -0.454 1.00 0.00 C ATOM 1658 SG CYS A 104 0.190 14.655 0.786 1.00 0.00 S ATOM 0 H CYS A 104 2.919 14.980 -0.899 1.00 0.00 H new ATOM 0 HA CYS A 104 1.587 17.620 -0.972 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -0.436 16.723 -0.245 1.00 0.00 H new ATOM 0 HB3 CYS A 104 0.087 15.547 -1.434 1.00 0.00 H new ATOM 0 HG CYS A 104 -1.061 14.361 0.979 1.00 0.00 H new ATOM 1664 N GLU A 105 1.568 17.638 1.691 1.00 0.00 N ATOM 1665 CA GLU A 105 1.994 17.897 3.061 1.00 0.00 C ATOM 1666 C GLU A 105 1.155 17.097 4.053 1.00 0.00 C ATOM 1667 O GLU A 105 1.428 17.097 5.253 1.00 0.00 O ATOM 1668 CB GLU A 105 1.891 19.391 3.377 1.00 0.00 C ATOM 1669 CG GLU A 105 0.471 19.928 3.321 1.00 0.00 C ATOM 1670 CD GLU A 105 0.382 21.387 3.725 1.00 0.00 C ATOM 1671 OE1 GLU A 105 0.590 22.257 2.853 1.00 0.00 O ATOM 1672 OE2 GLU A 105 0.107 21.658 4.912 1.00 0.00 O ATOM 0 H GLU A 105 0.723 18.136 1.411 1.00 0.00 H new ATOM 0 HA GLU A 105 3.034 17.584 3.156 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.300 19.573 4.371 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.509 19.947 2.671 1.00 0.00 H new ATOM 0 HG2 GLU A 105 0.082 19.811 2.310 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -0.164 19.334 3.978 1.00 0.00 H new ATOM 1679 N GLN A 106 0.133 16.419 3.542 1.00 0.00 N ATOM 1680 CA GLN A 106 -0.747 15.616 4.383 1.00 0.00 C ATOM 1681 C GLN A 106 -0.526 14.127 4.137 1.00 0.00 C ATOM 1682 O GLN A 106 -1.337 13.294 4.543 1.00 0.00 O ATOM 1683 CB GLN A 106 -2.210 15.977 4.118 1.00 0.00 C ATOM 1684 CG GLN A 106 -2.617 17.326 4.691 1.00 0.00 C ATOM 1685 CD GLN A 106 -3.754 17.967 3.921 1.00 0.00 C ATOM 1686 OE1 GLN A 106 -4.901 17.967 4.370 1.00 0.00 O ATOM 1687 NE2 GLN A 106 -3.443 18.519 2.754 1.00 0.00 N ATOM 0 H GLN A 106 -0.106 16.409 2.551 1.00 0.00 H new ATOM 0 HA GLN A 106 -0.509 15.833 5.424 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.386 15.980 3.042 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.849 15.203 4.543 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -2.914 17.200 5.732 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -1.756 17.994 4.684 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -2.480 18.496 2.420 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -4.168 18.966 2.192 1.00 0.00 H new ATOM 1696 N ALA A 107 0.575 13.800 3.470 1.00 0.00 N ATOM 1697 CA ALA A 107 0.903 12.411 3.172 1.00 0.00 C ATOM 1698 C ALA A 107 1.213 11.634 4.447 1.00 0.00 C ATOM 1699 O ALA A 107 1.279 12.207 5.535 1.00 0.00 O ATOM 1700 CB ALA A 107 2.081 12.342 2.211 1.00 0.00 C ATOM 0 H ALA A 107 1.255 14.478 3.126 1.00 0.00 H new ATOM 0 HA ALA A 107 0.034 11.952 2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 107 2.315 11.299 1.997 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.824 12.854 1.284 1.00 0.00 H new ATOM 0 HB3 ALA A 107 2.948 12.823 2.663 1.00 0.00 H new ATOM 1706 N VAL A 108 1.401 10.326 4.306 1.00 0.00 N ATOM 1707 CA VAL A 108 1.704 9.470 5.447 1.00 0.00 C ATOM 1708 C VAL A 108 3.199 9.188 5.541 1.00 0.00 C ATOM 1709 O VAL A 108 3.691 8.729 6.572 1.00 0.00 O ATOM 1710 CB VAL A 108 0.945 8.132 5.362 1.00 0.00 C ATOM 1711 CG1 VAL A 108 1.107 7.513 3.982 1.00 0.00 C ATOM 1712 CG2 VAL A 108 1.426 7.177 6.444 1.00 0.00 C ATOM 0 H VAL A 108 1.349 9.836 3.413 1.00 0.00 H new ATOM 0 HA VAL A 108 1.382 10.006 6.339 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.115 8.325 5.525 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.564 6.569 3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.709 8.193 3.229 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.164 7.333 3.786 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.879 6.237 6.369 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.492 6.988 6.315 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.252 7.621 7.424 1.00 0.00 H new ATOM 1722 N TYR A 109 3.917 9.466 4.458 1.00 0.00 N ATOM 1723 CA TYR A 109 5.357 9.241 4.418 1.00 0.00 C ATOM 1724 C TYR A 109 6.118 10.524 4.735 1.00 0.00 C ATOM 1725 O TYR A 109 7.241 10.485 5.235 1.00 0.00 O ATOM 1726 CB TYR A 109 5.773 8.714 3.043 1.00 0.00 C ATOM 1727 CG TYR A 109 4.894 9.204 1.915 1.00 0.00 C ATOM 1728 CD1 TYR A 109 5.133 10.429 1.305 1.00 0.00 C ATOM 1729 CD2 TYR A 109 3.824 8.443 1.460 1.00 0.00 C ATOM 1730 CE1 TYR A 109 4.332 10.882 0.274 1.00 0.00 C ATOM 1731 CE2 TYR A 109 3.019 8.887 0.429 1.00 0.00 C ATOM 1732 CZ TYR A 109 3.277 10.107 -0.160 1.00 0.00 C ATOM 1733 OH TYR A 109 2.476 10.553 -1.187 1.00 0.00 O ATOM 0 H TYR A 109 3.525 9.847 3.597 1.00 0.00 H new ATOM 0 HA TYR A 109 5.605 8.497 5.175 1.00 0.00 H new ATOM 0 HB2 TYR A 109 6.803 9.012 2.845 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.754 7.624 3.060 1.00 0.00 H new ATOM 0 HD1 TYR A 109 5.959 11.038 1.642 1.00 0.00 H new ATOM 0 HD2 TYR A 109 3.618 7.488 1.920 1.00 0.00 H new ATOM 0 HE1 TYR A 109 4.531 11.837 -0.189 1.00 0.00 H new ATOM 0 HE2 TYR A 109 2.192 8.282 0.086 1.00 0.00 H new ATOM 0 HH TYR A 109 2.151 9.787 -1.705 1.00 0.00 H new ATOM 1743 N ASN A 110 5.496 11.661 4.440 1.00 0.00 N ATOM 1744 CA ASN A 110 6.114 12.958 4.693 1.00 0.00 C ATOM 1745 C ASN A 110 6.246 13.215 6.191 1.00 0.00 C ATOM 1746 O ASN A 110 7.253 13.752 6.653 1.00 0.00 O ATOM 1747 CB ASN A 110 5.292 14.073 4.044 1.00 0.00 C ATOM 1748 CG ASN A 110 5.653 14.283 2.586 1.00 0.00 C ATOM 1749 OD1 ASN A 110 6.111 13.362 1.909 1.00 0.00 O ATOM 1750 ND2 ASN A 110 5.448 15.500 2.095 1.00 0.00 N ATOM 0 H ASN A 110 4.565 11.711 4.026 1.00 0.00 H new ATOM 0 HA ASN A 110 7.112 12.949 4.255 1.00 0.00 H new ATOM 0 HB2 ASN A 110 4.232 13.832 4.122 1.00 0.00 H new ATOM 0 HB3 ASN A 110 5.449 15.002 4.592 1.00 0.00 H new ATOM 0 HD21 ASN A 110 5.672 15.701 1.120 1.00 0.00 H new ATOM 0 HD22 ASN A 110 5.066 16.233 2.692 1.00 0.00 H new ATOM 1757 N ARG A 111 5.222 12.826 6.945 1.00 0.00 N ATOM 1758 CA ARG A 111 5.223 13.015 8.390 1.00 0.00 C ATOM 1759 C ARG A 111 6.622 12.807 8.965 1.00 0.00 C ATOM 1760 O ARG A 111 7.268 11.793 8.699 1.00 0.00 O ATOM 1761 CB ARG A 111 4.239 12.048 9.053 1.00 0.00 C ATOM 1762 CG ARG A 111 2.808 12.209 8.567 1.00 0.00 C ATOM 1763 CD ARG A 111 1.889 11.168 9.188 1.00 0.00 C ATOM 1764 NE ARG A 111 0.533 11.245 8.651 1.00 0.00 N ATOM 1765 CZ ARG A 111 -0.465 10.472 9.063 1.00 0.00 C ATOM 1766 NH1 ARG A 111 -0.261 9.570 10.013 1.00 0.00 N ATOM 1767 NH2 ARG A 111 -1.671 10.601 8.526 1.00 0.00 N ATOM 0 H ARG A 111 4.382 12.378 6.579 1.00 0.00 H new ATOM 0 HA ARG A 111 4.912 14.039 8.597 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.565 11.025 8.865 1.00 0.00 H new ATOM 0 HB3 ARG A 111 4.267 12.198 10.132 1.00 0.00 H new ATOM 0 HG2 ARG A 111 2.448 13.208 8.815 1.00 0.00 H new ATOM 0 HG3 ARG A 111 2.779 12.120 7.481 1.00 0.00 H new ATOM 0 HD2 ARG A 111 2.294 10.173 9.007 1.00 0.00 H new ATOM 0 HD3 ARG A 111 1.860 11.309 10.268 1.00 0.00 H new ATOM 0 HE ARG A 111 0.342 11.930 7.920 1.00 0.00 H new ATOM 0 HH11 ARG A 111 0.665 9.468 10.430 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -1.030 8.978 10.327 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -1.833 11.295 7.796 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -2.437 10.007 8.843 1.00 0.00 H new