USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=16 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -2.17 X(o=-2.2,f=-2.1) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= -0.549! C(o=-0.55!,f=-4.6!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -1.45 K(o=-1.4,f=-3.7!) USER MOD Single : A 45 LYS NZ :NH3+ 179:sc= -2.1 (180deg=-2.12) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 50 TYR OH : rot 80:sc= -0.569 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.72 X(o=-1.7,f=-1.7!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN :FLIP amide:sc= -1.76 F(o=-3.2!,f=-1.8) USER MOD Single : A 64 CYS SG : rot 65:sc= 0.276 USER MOD Single : A 65 LYS NZ :NH3+ 146:sc= -0.756 (180deg=-3.1!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot -166:sc= 0.437 USER MOD Single : A 70 ASN : amide:sc= -0.847 K(o=-0.85,f=-7.6!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.274 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.317 K(o=-0.32,f=-3.7!) USER MOD Single : A 81 CYS SG : rot -3:sc= -1.67 USER MOD Single : A 85 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 86 CYS SG : rot -27:sc= 0.511 USER MOD Single : A 91 HIS : no HD1:sc= -2.19 K(o=-2.2,f=-3.6!) USER MOD Single : A 92 THR OG1 : rot 85:sc= 0.852 USER MOD Single : A 93 TYR OH : rot -110:sc= -0.482 USER MOD Single : A 101 ASN : amide:sc= -3.45! C(o=-3.4!,f=-4.8!) USER MOD Single : A 104 CYS SG : rot 53:sc= 0.741 USER MOD Single : A 106 GLN : amide:sc= -4.52 K(o=-4.5,f=-6.7!) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -2.67 K(o=-2.7,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 143 N LEU A 13 9.088 1.422 4.644 1.00 0.00 N ATOM 144 CA LEU A 13 8.339 2.364 3.819 1.00 0.00 C ATOM 145 C LEU A 13 9.282 3.243 3.003 1.00 0.00 C ATOM 146 O LEU A 13 10.498 3.215 3.196 1.00 0.00 O ATOM 147 CB LEU A 13 7.441 3.238 4.696 1.00 0.00 C ATOM 148 CG LEU A 13 8.151 4.303 5.533 1.00 0.00 C ATOM 149 CD1 LEU A 13 8.268 5.604 4.753 1.00 0.00 C ATOM 150 CD2 LEU A 13 7.414 4.530 6.844 1.00 0.00 C ATOM 0 HA LEU A 13 7.718 1.791 3.130 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.713 3.735 4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.882 2.589 5.369 1.00 0.00 H new ATOM 0 HG LEU A 13 9.156 3.948 5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.776 6.350 5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.840 5.431 3.841 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.272 5.964 4.494 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.934 5.291 7.426 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.397 4.863 6.637 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.383 3.599 7.410 1.00 0.00 H new ATOM 162 N LYS A 14 8.713 4.024 2.091 1.00 0.00 N ATOM 163 CA LYS A 14 9.501 4.914 1.247 1.00 0.00 C ATOM 164 C LYS A 14 8.597 5.783 0.379 1.00 0.00 C ATOM 165 O LYS A 14 7.645 5.306 -0.239 1.00 0.00 O ATOM 166 CB LYS A 14 10.451 4.104 0.362 1.00 0.00 C ATOM 167 CG LYS A 14 11.484 4.952 -0.358 1.00 0.00 C ATOM 168 CD LYS A 14 12.007 4.257 -1.604 1.00 0.00 C ATOM 169 CE LYS A 14 13.116 5.060 -2.267 1.00 0.00 C ATOM 170 NZ LYS A 14 13.994 4.201 -3.109 1.00 0.00 N ATOM 0 H LYS A 14 7.708 4.059 1.918 1.00 0.00 H new ATOM 0 HA LYS A 14 10.086 5.565 1.896 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.965 3.365 0.977 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.867 3.554 -0.376 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.042 5.910 -0.633 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.314 5.166 0.316 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.381 3.268 -1.340 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.190 4.111 -2.310 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.678 5.845 -2.883 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.716 5.552 -1.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.737 4.785 -3.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.432 3.467 -2.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.427 3.751 -3.855 1.00 0.00 H new ATOM 184 N PRO A 15 8.900 7.089 0.328 1.00 0.00 N ATOM 185 CA PRO A 15 8.127 8.050 -0.464 1.00 0.00 C ATOM 186 C PRO A 15 8.312 7.849 -1.964 1.00 0.00 C ATOM 187 O PRO A 15 9.344 7.360 -2.426 1.00 0.00 O ATOM 188 CB PRO A 15 8.696 9.404 -0.031 1.00 0.00 C ATOM 189 CG PRO A 15 10.078 9.102 0.435 1.00 0.00 C ATOM 190 CD PRO A 15 10.020 7.726 1.039 1.00 0.00 C ATOM 0 HA PRO A 15 7.055 7.948 -0.295 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.703 10.113 -0.859 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.098 9.849 0.765 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.785 9.135 -0.394 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.412 9.836 1.168 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.953 7.182 0.889 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.843 7.766 2.114 1.00 0.00 H new ATOM 198 N PRO A 16 7.292 8.234 -2.744 1.00 0.00 N ATOM 199 CA PRO A 16 7.320 8.105 -4.204 1.00 0.00 C ATOM 200 C PRO A 16 8.307 9.070 -4.852 1.00 0.00 C ATOM 201 O PRO A 16 8.381 10.240 -4.477 1.00 0.00 O ATOM 202 CB PRO A 16 5.886 8.449 -4.618 1.00 0.00 C ATOM 203 CG PRO A 16 5.373 9.316 -3.520 1.00 0.00 C ATOM 204 CD PRO A 16 6.032 8.824 -2.261 1.00 0.00 C ATOM 0 HA PRO A 16 7.643 7.113 -4.520 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.864 8.969 -5.576 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.279 7.550 -4.729 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.615 10.363 -3.704 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.288 9.249 -3.444 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.213 9.637 -1.558 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.415 8.088 -1.746 1.00 0.00 H new ATOM 212 N GLU A 17 9.062 8.572 -5.826 1.00 0.00 N ATOM 213 CA GLU A 17 10.045 9.391 -6.524 1.00 0.00 C ATOM 214 C GLU A 17 9.361 10.368 -7.476 1.00 0.00 C ATOM 215 O GLU A 17 9.749 11.533 -7.569 1.00 0.00 O ATOM 216 CB GLU A 17 11.021 8.505 -7.301 1.00 0.00 C ATOM 217 CG GLU A 17 10.337 7.477 -8.187 1.00 0.00 C ATOM 218 CD GLU A 17 11.317 6.707 -9.051 1.00 0.00 C ATOM 219 OE1 GLU A 17 12.344 7.293 -9.452 1.00 0.00 O ATOM 220 OE2 GLU A 17 11.056 5.517 -9.326 1.00 0.00 O ATOM 0 H GLU A 17 9.012 7.606 -6.149 1.00 0.00 H new ATOM 0 HA GLU A 17 10.598 9.963 -5.779 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.660 9.137 -7.918 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.671 7.988 -6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.781 6.777 -7.563 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.611 7.979 -8.827 1.00 0.00 H new ATOM 227 N GLN A 18 8.342 9.885 -8.179 1.00 0.00 N ATOM 228 CA GLN A 18 7.605 10.716 -9.124 1.00 0.00 C ATOM 229 C GLN A 18 6.246 10.102 -9.443 1.00 0.00 C ATOM 230 O GLN A 18 6.101 8.881 -9.488 1.00 0.00 O ATOM 231 CB GLN A 18 8.411 10.898 -10.412 1.00 0.00 C ATOM 232 CG GLN A 18 8.507 9.635 -11.253 1.00 0.00 C ATOM 233 CD GLN A 18 7.353 9.492 -12.225 1.00 0.00 C ATOM 234 OE1 GLN A 18 6.996 10.438 -12.927 1.00 0.00 O ATOM 235 NE2 GLN A 18 6.763 8.303 -12.273 1.00 0.00 N ATOM 0 H GLN A 18 8.008 8.924 -8.112 1.00 0.00 H new ATOM 0 HA GLN A 18 7.444 11.691 -8.664 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.954 11.688 -11.008 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.417 11.232 -10.157 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.445 9.643 -11.808 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.533 8.766 -10.595 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.091 7.546 -11.673 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.982 8.147 -12.910 1.00 0.00 H new ATOM 244 N GLU A 19 5.253 10.957 -9.665 1.00 0.00 N ATOM 245 CA GLU A 19 3.905 10.498 -9.978 1.00 0.00 C ATOM 246 C GLU A 19 3.938 9.391 -11.028 1.00 0.00 C ATOM 247 O GLU A 19 4.448 9.583 -12.132 1.00 0.00 O ATOM 248 CB GLU A 19 3.048 11.663 -10.477 1.00 0.00 C ATOM 249 CG GLU A 19 1.561 11.354 -10.510 1.00 0.00 C ATOM 250 CD GLU A 19 0.717 12.579 -10.808 1.00 0.00 C ATOM 251 OE1 GLU A 19 0.917 13.192 -11.877 1.00 0.00 O ATOM 252 OE2 GLU A 19 -0.144 12.923 -9.971 1.00 0.00 O ATOM 0 H GLU A 19 5.357 11.971 -9.634 1.00 0.00 H new ATOM 0 HA GLU A 19 3.464 10.097 -9.065 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.217 12.528 -9.835 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.375 11.941 -11.479 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.369 10.592 -11.266 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.259 10.934 -9.550 1.00 0.00 H new ATOM 259 N ILE A 20 3.392 8.232 -10.674 1.00 0.00 N ATOM 260 CA ILE A 20 3.359 7.094 -11.585 1.00 0.00 C ATOM 261 C ILE A 20 2.007 6.988 -12.283 1.00 0.00 C ATOM 262 O ILE A 20 1.120 7.813 -12.066 1.00 0.00 O ATOM 263 CB ILE A 20 3.648 5.774 -10.847 1.00 0.00 C ATOM 264 CG1 ILE A 20 2.506 5.440 -9.886 1.00 0.00 C ATOM 265 CG2 ILE A 20 4.969 5.865 -10.098 1.00 0.00 C ATOM 266 CD1 ILE A 20 2.295 3.955 -9.690 1.00 0.00 C ATOM 0 H ILE A 20 2.967 8.056 -9.764 1.00 0.00 H new ATOM 0 HA ILE A 20 4.137 7.262 -12.329 1.00 0.00 H new ATOM 0 HB ILE A 20 3.724 4.973 -11.582 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.709 5.900 -8.919 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.584 5.883 -10.262 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.160 4.924 -9.581 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.775 6.061 -10.805 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.920 6.675 -9.371 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.470 3.793 -8.997 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.060 3.491 -10.648 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.203 3.509 -9.284 1.00 0.00 H new ATOM 278 N GLU A 21 1.858 5.966 -13.120 1.00 0.00 N ATOM 279 CA GLU A 21 0.613 5.752 -13.848 1.00 0.00 C ATOM 280 C GLU A 21 -0.096 4.494 -13.356 1.00 0.00 C ATOM 281 O GLU A 21 0.547 3.533 -12.932 1.00 0.00 O ATOM 282 CB GLU A 21 0.887 5.642 -15.350 1.00 0.00 C ATOM 283 CG GLU A 21 0.817 6.973 -16.080 1.00 0.00 C ATOM 284 CD GLU A 21 -0.604 7.478 -16.237 1.00 0.00 C ATOM 285 OE1 GLU A 21 -1.084 8.190 -15.330 1.00 0.00 O ATOM 286 OE2 GLU A 21 -1.237 7.162 -17.266 1.00 0.00 O ATOM 0 H GLU A 21 2.583 5.274 -13.310 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.036 6.609 -13.666 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.875 5.206 -15.500 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.166 4.956 -15.793 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.404 7.713 -15.536 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.272 6.867 -17.065 1.00 0.00 H new ATOM 293 N ILE A 22 -1.423 4.508 -13.415 1.00 0.00 N ATOM 294 CA ILE A 22 -2.219 3.368 -12.977 1.00 0.00 C ATOM 295 C ILE A 22 -3.381 3.110 -13.930 1.00 0.00 C ATOM 296 O ILE A 22 -3.962 4.043 -14.484 1.00 0.00 O ATOM 297 CB ILE A 22 -2.773 3.582 -11.556 1.00 0.00 C ATOM 298 CG1 ILE A 22 -1.626 3.724 -10.553 1.00 0.00 C ATOM 299 CG2 ILE A 22 -3.686 2.430 -11.164 1.00 0.00 C ATOM 300 CD1 ILE A 22 -0.784 2.475 -10.418 1.00 0.00 C ATOM 0 H ILE A 22 -1.970 5.296 -13.762 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.556 2.503 -12.974 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.356 4.503 -11.545 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.987 4.552 -10.859 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.037 3.983 -9.577 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.069 2.596 -10.157 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.519 2.371 -11.865 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.125 1.496 -11.189 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.009 2.648 -9.691 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.410 1.649 -10.082 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.344 2.227 -11.384 1.00 0.00 H new ATOM 312 N ASP A 23 -3.716 1.837 -14.114 1.00 0.00 N ATOM 313 CA ASP A 23 -4.811 1.455 -14.998 1.00 0.00 C ATOM 314 C ASP A 23 -5.989 0.907 -14.198 1.00 0.00 C ATOM 315 O ASP A 23 -5.891 -0.152 -13.578 1.00 0.00 O ATOM 316 CB ASP A 23 -4.337 0.413 -16.011 1.00 0.00 C ATOM 317 CG ASP A 23 -3.606 1.036 -17.184 1.00 0.00 C ATOM 318 OD1 ASP A 23 -2.477 1.532 -16.984 1.00 0.00 O ATOM 319 OD2 ASP A 23 -4.161 1.026 -18.302 1.00 0.00 O ATOM 0 H ASP A 23 -3.245 1.053 -13.663 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.141 2.345 -15.533 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.679 -0.300 -15.514 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.196 -0.149 -16.379 1.00 0.00 H new ATOM 324 N ARG A 24 -7.101 1.635 -14.216 1.00 0.00 N ATOM 325 CA ARG A 24 -8.296 1.223 -13.491 1.00 0.00 C ATOM 326 C ARG A 24 -8.925 -0.009 -14.135 1.00 0.00 C ATOM 327 O ARG A 24 -9.896 -0.563 -13.622 1.00 0.00 O ATOM 328 CB ARG A 24 -9.313 2.365 -13.450 1.00 0.00 C ATOM 329 CG ARG A 24 -8.910 3.506 -12.530 1.00 0.00 C ATOM 330 CD ARG A 24 -7.867 4.403 -13.178 1.00 0.00 C ATOM 331 NE ARG A 24 -7.841 5.734 -12.579 1.00 0.00 N ATOM 332 CZ ARG A 24 -6.897 6.634 -12.829 1.00 0.00 C ATOM 333 NH1 ARG A 24 -5.907 6.347 -13.663 1.00 0.00 N ATOM 334 NH2 ARG A 24 -6.942 7.825 -12.244 1.00 0.00 N ATOM 0 H ARG A 24 -7.199 2.513 -14.725 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.003 0.970 -12.472 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.451 2.754 -14.459 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.276 1.971 -13.126 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.790 4.096 -12.273 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.515 3.101 -11.598 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.883 3.943 -13.082 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.076 4.490 -14.244 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.589 5.987 -11.933 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.869 5.433 -14.114 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.183 7.040 -13.853 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.702 8.049 -11.602 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.216 8.516 -12.437 1.00 0.00 H new ATOM 348 N ASN A 25 -8.364 -0.432 -15.264 1.00 0.00 N ATOM 349 CA ASN A 25 -8.871 -1.598 -15.979 1.00 0.00 C ATOM 350 C ASN A 25 -7.784 -2.657 -16.132 1.00 0.00 C ATOM 351 O ASN A 25 -8.006 -3.707 -16.736 1.00 0.00 O ATOM 352 CB ASN A 25 -9.397 -1.188 -17.356 1.00 0.00 C ATOM 353 CG ASN A 25 -10.604 -0.275 -17.266 1.00 0.00 C ATOM 354 OD1 ASN A 25 -11.746 -0.736 -17.252 1.00 0.00 O ATOM 355 ND2 ASN A 25 -10.357 1.028 -17.205 1.00 0.00 N ATOM 0 H ASN A 25 -7.559 0.015 -15.703 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.688 -2.024 -15.397 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.604 -0.684 -17.909 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.662 -2.081 -17.921 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.130 1.691 -17.144 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.395 1.366 -17.219 1.00 0.00 H new ATOM 362 N ILE A 26 -6.608 -2.374 -15.581 1.00 0.00 N ATOM 363 CA ILE A 26 -5.487 -3.303 -15.654 1.00 0.00 C ATOM 364 C ILE A 26 -4.735 -3.363 -14.329 1.00 0.00 C ATOM 365 O ILE A 26 -4.583 -2.351 -13.644 1.00 0.00 O ATOM 366 CB ILE A 26 -4.504 -2.910 -16.773 1.00 0.00 C ATOM 367 CG1 ILE A 26 -5.210 -2.922 -18.130 1.00 0.00 C ATOM 368 CG2 ILE A 26 -3.310 -3.853 -16.783 1.00 0.00 C ATOM 369 CD1 ILE A 26 -5.946 -1.637 -18.438 1.00 0.00 C ATOM 0 H ILE A 26 -6.407 -1.509 -15.079 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.904 -4.285 -15.876 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.143 -1.899 -16.582 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.474 -3.106 -18.912 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.917 -3.751 -18.156 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.624 -3.563 -17.579 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.796 -3.799 -15.823 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.654 -4.873 -16.954 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.423 -1.716 -19.415 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.706 -1.461 -17.677 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.240 -0.806 -18.445 1.00 0.00 H new ATOM 381 N ILE A 27 -4.265 -4.554 -13.976 1.00 0.00 N ATOM 382 CA ILE A 27 -3.526 -4.746 -12.734 1.00 0.00 C ATOM 383 C ILE A 27 -2.114 -5.252 -13.007 1.00 0.00 C ATOM 384 O ILE A 27 -1.917 -6.423 -13.333 1.00 0.00 O ATOM 385 CB ILE A 27 -4.243 -5.737 -11.799 1.00 0.00 C ATOM 386 CG1 ILE A 27 -5.660 -5.249 -11.492 1.00 0.00 C ATOM 387 CG2 ILE A 27 -3.451 -5.921 -10.513 1.00 0.00 C ATOM 388 CD1 ILE A 27 -6.417 -6.149 -10.541 1.00 0.00 C ATOM 0 H ILE A 27 -4.383 -5.401 -14.532 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.472 -3.773 -12.246 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.312 -6.702 -12.302 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.606 -4.247 -11.066 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.218 -5.169 -12.425 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.971 -6.624 -9.863 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.460 -6.309 -10.748 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.354 -4.961 -10.005 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.413 -5.741 -10.369 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.503 -7.146 -10.974 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.881 -6.210 -9.594 1.00 0.00 H new ATOM 400 N GLN A 28 -1.135 -4.364 -12.870 1.00 0.00 N ATOM 401 CA GLN A 28 0.259 -4.722 -13.102 1.00 0.00 C ATOM 402 C GLN A 28 0.918 -5.205 -11.814 1.00 0.00 C ATOM 403 O GLN A 28 0.481 -4.861 -10.716 1.00 0.00 O ATOM 404 CB GLN A 28 1.028 -3.525 -13.664 1.00 0.00 C ATOM 405 CG GLN A 28 0.181 -2.612 -14.536 1.00 0.00 C ATOM 406 CD GLN A 28 -0.571 -1.571 -13.732 1.00 0.00 C ATOM 407 OE1 GLN A 28 -0.622 -1.636 -12.503 1.00 0.00 O ATOM 408 NE2 GLN A 28 -1.162 -0.603 -14.422 1.00 0.00 N ATOM 0 H GLN A 28 -1.281 -3.391 -12.600 1.00 0.00 H new ATOM 0 HA GLN A 28 0.284 -5.534 -13.828 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.437 -2.946 -12.836 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.874 -3.889 -14.248 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.822 -2.112 -15.262 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.531 -3.213 -15.101 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.094 -0.588 -15.440 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.684 0.125 -13.935 1.00 0.00 H new ATOM 417 N GLU A 29 1.970 -6.004 -11.957 1.00 0.00 N ATOM 418 CA GLU A 29 2.688 -6.535 -10.804 1.00 0.00 C ATOM 419 C GLU A 29 2.942 -5.442 -9.770 1.00 0.00 C ATOM 420 O GLU A 29 2.734 -5.644 -8.575 1.00 0.00 O ATOM 421 CB GLU A 29 4.016 -7.156 -11.243 1.00 0.00 C ATOM 422 CG GLU A 29 4.909 -6.199 -12.014 1.00 0.00 C ATOM 423 CD GLU A 29 5.900 -6.919 -12.909 1.00 0.00 C ATOM 424 OE1 GLU A 29 5.518 -7.293 -14.037 1.00 0.00 O ATOM 425 OE2 GLU A 29 7.057 -7.108 -12.480 1.00 0.00 O ATOM 0 H GLU A 29 2.344 -6.298 -12.859 1.00 0.00 H new ATOM 0 HA GLU A 29 2.068 -7.306 -10.347 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.551 -7.509 -10.362 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.812 -8.029 -11.863 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.289 -5.539 -12.621 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.452 -5.568 -11.310 1.00 0.00 H new ATOM 432 N GLU A 30 3.394 -4.284 -10.242 1.00 0.00 N ATOM 433 CA GLU A 30 3.679 -3.159 -9.358 1.00 0.00 C ATOM 434 C GLU A 30 2.666 -3.093 -8.219 1.00 0.00 C ATOM 435 O GLU A 30 3.033 -2.910 -7.059 1.00 0.00 O ATOM 436 CB GLU A 30 3.664 -1.847 -10.146 1.00 0.00 C ATOM 437 CG GLU A 30 5.009 -1.488 -10.755 1.00 0.00 C ATOM 438 CD GLU A 30 5.222 -2.124 -12.114 1.00 0.00 C ATOM 439 OE1 GLU A 30 4.797 -3.283 -12.301 1.00 0.00 O ATOM 440 OE2 GLU A 30 5.815 -1.462 -12.992 1.00 0.00 O ATOM 0 H GLU A 30 3.570 -4.100 -11.230 1.00 0.00 H new ATOM 0 HA GLU A 30 4.671 -3.307 -8.931 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.922 -1.919 -10.941 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.346 -1.040 -9.486 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.083 -0.405 -10.849 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.805 -1.805 -10.081 1.00 0.00 H new ATOM 447 N GLU A 31 1.389 -3.242 -8.560 1.00 0.00 N ATOM 448 CA GLU A 31 0.323 -3.197 -7.566 1.00 0.00 C ATOM 449 C GLU A 31 0.243 -4.511 -6.795 1.00 0.00 C ATOM 450 O GLU A 31 0.031 -4.521 -5.582 1.00 0.00 O ATOM 451 CB GLU A 31 -1.020 -2.905 -8.239 1.00 0.00 C ATOM 452 CG GLU A 31 -1.011 -1.651 -9.097 1.00 0.00 C ATOM 453 CD GLU A 31 -0.778 -0.391 -8.286 1.00 0.00 C ATOM 454 OE1 GLU A 31 -1.739 0.090 -7.649 1.00 0.00 O ATOM 455 OE2 GLU A 31 0.364 0.114 -8.288 1.00 0.00 O ATOM 0 H GLU A 31 1.068 -3.395 -9.516 1.00 0.00 H new ATOM 0 HA GLU A 31 0.550 -2.396 -6.862 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.299 -3.757 -8.859 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.787 -2.804 -7.471 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.233 -1.740 -9.855 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.962 -1.569 -9.624 1.00 0.00 H new ATOM 462 N LYS A 32 0.414 -5.620 -7.507 1.00 0.00 N ATOM 463 CA LYS A 32 0.363 -6.941 -6.892 1.00 0.00 C ATOM 464 C LYS A 32 1.451 -7.092 -5.834 1.00 0.00 C ATOM 465 O LYS A 32 1.333 -7.909 -4.922 1.00 0.00 O ATOM 466 CB LYS A 32 0.518 -8.028 -7.958 1.00 0.00 C ATOM 467 CG LYS A 32 -0.533 -7.962 -9.052 1.00 0.00 C ATOM 468 CD LYS A 32 -0.369 -9.095 -10.052 1.00 0.00 C ATOM 469 CE LYS A 32 -1.338 -8.955 -11.216 1.00 0.00 C ATOM 470 NZ LYS A 32 -1.075 -9.963 -12.280 1.00 0.00 N ATOM 0 H LYS A 32 0.589 -5.630 -8.512 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.607 -7.051 -6.407 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.506 -7.943 -8.410 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.470 -9.005 -7.478 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.527 -8.010 -8.607 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.461 -7.005 -9.570 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.654 -9.105 -10.428 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.534 -10.050 -9.552 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.360 -9.067 -10.854 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.258 -7.953 -11.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.756 -9.835 -13.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.109 -9.840 -12.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.177 -10.920 -11.885 1.00 0.00 H new ATOM 484 N GLN A 33 2.509 -6.297 -5.963 1.00 0.00 N ATOM 485 CA GLN A 33 3.618 -6.343 -5.017 1.00 0.00 C ATOM 486 C GLN A 33 3.253 -5.634 -3.717 1.00 0.00 C ATOM 487 O GLN A 33 3.814 -5.926 -2.661 1.00 0.00 O ATOM 488 CB GLN A 33 4.865 -5.703 -5.629 1.00 0.00 C ATOM 489 CG GLN A 33 5.640 -6.636 -6.546 1.00 0.00 C ATOM 490 CD GLN A 33 6.624 -7.509 -5.793 1.00 0.00 C ATOM 491 OE1 GLN A 33 6.395 -8.704 -5.606 1.00 0.00 O ATOM 492 NE2 GLN A 33 7.729 -6.915 -5.358 1.00 0.00 N ATOM 0 H GLN A 33 2.621 -5.614 -6.712 1.00 0.00 H new ATOM 0 HA GLN A 33 3.829 -7.389 -4.793 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.570 -4.817 -6.191 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.522 -5.367 -4.827 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.939 -7.270 -7.089 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.178 -6.046 -7.288 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.878 -5.922 -5.536 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.429 -7.452 -4.846 1.00 0.00 H new ATOM 501 N ALA A 34 2.312 -4.700 -3.802 1.00 0.00 N ATOM 502 CA ALA A 34 1.872 -3.950 -2.632 1.00 0.00 C ATOM 503 C ALA A 34 0.534 -4.470 -2.118 1.00 0.00 C ATOM 504 O ALA A 34 0.178 -4.255 -0.959 1.00 0.00 O ATOM 505 CB ALA A 34 1.772 -2.468 -2.962 1.00 0.00 C ATOM 0 H ALA A 34 1.839 -4.444 -4.669 1.00 0.00 H new ATOM 0 HA ALA A 34 2.613 -4.087 -1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.442 -1.920 -2.079 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.748 -2.098 -3.275 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.053 -2.323 -3.769 1.00 0.00 H new ATOM 511 N ILE A 35 -0.203 -5.154 -2.987 1.00 0.00 N ATOM 512 CA ILE A 35 -1.502 -5.704 -2.619 1.00 0.00 C ATOM 513 C ILE A 35 -1.596 -7.181 -2.986 1.00 0.00 C ATOM 514 O ILE A 35 -2.594 -7.647 -3.537 1.00 0.00 O ATOM 515 CB ILE A 35 -2.651 -4.942 -3.305 1.00 0.00 C ATOM 516 CG1 ILE A 35 -2.387 -3.435 -3.266 1.00 0.00 C ATOM 517 CG2 ILE A 35 -3.978 -5.270 -2.635 1.00 0.00 C ATOM 518 CD1 ILE A 35 -2.472 -2.842 -1.877 1.00 0.00 C ATOM 0 H ILE A 35 0.077 -5.340 -3.950 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.598 -5.593 -1.539 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.705 -5.256 -4.347 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.397 -3.237 -3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.106 -2.932 -3.912 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.781 -4.724 -3.131 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.168 -6.341 -2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.937 -4.980 -1.585 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.274 -1.771 -1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.470 -3.008 -1.471 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.734 -3.319 -1.232 1.00 0.00 H new ATOM 530 N PRO A 36 -0.534 -7.938 -2.673 1.00 0.00 N ATOM 531 CA PRO A 36 -0.474 -9.375 -2.958 1.00 0.00 C ATOM 532 C PRO A 36 -1.429 -10.180 -2.084 1.00 0.00 C ATOM 533 O PRO A 36 -1.526 -11.400 -2.216 1.00 0.00 O ATOM 534 CB PRO A 36 0.978 -9.739 -2.639 1.00 0.00 C ATOM 535 CG PRO A 36 1.418 -8.714 -1.652 1.00 0.00 C ATOM 536 CD PRO A 36 0.689 -7.450 -2.015 1.00 0.00 C ATOM 0 HA PRO A 36 -0.769 -9.600 -3.983 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.052 -10.745 -2.225 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.598 -9.717 -3.535 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.179 -9.024 -0.635 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.497 -8.568 -1.696 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.459 -6.851 -1.134 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.281 -6.822 -2.681 1.00 0.00 H new ATOM 544 N GLU A 37 -2.132 -9.490 -1.191 1.00 0.00 N ATOM 545 CA GLU A 37 -3.079 -10.143 -0.296 1.00 0.00 C ATOM 546 C GLU A 37 -4.355 -10.527 -1.039 1.00 0.00 C ATOM 547 O GLU A 37 -4.928 -11.591 -0.804 1.00 0.00 O ATOM 548 CB GLU A 37 -3.419 -9.225 0.881 1.00 0.00 C ATOM 549 CG GLU A 37 -4.781 -9.501 1.494 1.00 0.00 C ATOM 550 CD GLU A 37 -4.864 -9.073 2.947 1.00 0.00 C ATOM 551 OE1 GLU A 37 -5.109 -7.875 3.200 1.00 0.00 O ATOM 552 OE2 GLU A 37 -4.684 -9.937 3.830 1.00 0.00 O ATOM 0 H GLU A 37 -2.063 -8.480 -1.069 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.612 -11.052 0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.655 -9.336 1.650 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.385 -8.189 0.544 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.546 -8.978 0.921 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.000 -10.566 1.420 1.00 0.00 H new ATOM 559 N PHE A 38 -4.795 -9.653 -1.939 1.00 0.00 N ATOM 560 CA PHE A 38 -6.004 -9.899 -2.716 1.00 0.00 C ATOM 561 C PHE A 38 -5.738 -10.909 -3.829 1.00 0.00 C ATOM 562 O PHE A 38 -6.668 -11.439 -4.437 1.00 0.00 O ATOM 563 CB PHE A 38 -6.526 -8.591 -3.314 1.00 0.00 C ATOM 564 CG PHE A 38 -7.439 -7.834 -2.392 1.00 0.00 C ATOM 565 CD1 PHE A 38 -8.747 -8.248 -2.196 1.00 0.00 C ATOM 566 CD2 PHE A 38 -6.990 -6.708 -1.722 1.00 0.00 C ATOM 567 CE1 PHE A 38 -9.589 -7.554 -1.349 1.00 0.00 C ATOM 568 CE2 PHE A 38 -7.827 -6.009 -0.873 1.00 0.00 C ATOM 569 CZ PHE A 38 -9.129 -6.432 -0.687 1.00 0.00 C ATOM 0 H PHE A 38 -4.332 -8.768 -2.148 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.759 -10.312 -2.047 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.679 -7.957 -3.576 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.058 -8.811 -4.240 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.112 -9.124 -2.712 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.974 -6.372 -1.865 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -10.606 -7.888 -1.204 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -7.464 -5.133 -0.356 1.00 0.00 H new ATOM 0 HZ PHE A 38 -9.786 -5.887 -0.025 1.00 0.00 H new ATOM 579 N PHE A 39 -4.462 -11.171 -4.090 1.00 0.00 N ATOM 580 CA PHE A 39 -4.072 -12.116 -5.130 1.00 0.00 C ATOM 581 C PHE A 39 -3.623 -13.440 -4.521 1.00 0.00 C ATOM 582 O PHE A 39 -2.910 -14.217 -5.156 1.00 0.00 O ATOM 583 CB PHE A 39 -2.949 -11.529 -5.988 1.00 0.00 C ATOM 584 CG PHE A 39 -3.312 -10.226 -6.641 1.00 0.00 C ATOM 585 CD1 PHE A 39 -4.092 -10.203 -7.786 1.00 0.00 C ATOM 586 CD2 PHE A 39 -2.873 -9.023 -6.110 1.00 0.00 C ATOM 587 CE1 PHE A 39 -4.428 -9.006 -8.389 1.00 0.00 C ATOM 588 CE2 PHE A 39 -3.207 -7.823 -6.709 1.00 0.00 C ATOM 589 CZ PHE A 39 -3.984 -7.814 -7.850 1.00 0.00 C ATOM 0 H PHE A 39 -3.680 -10.742 -3.595 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.941 -12.303 -5.761 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.067 -11.381 -5.365 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.677 -12.250 -6.759 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.442 -11.132 -8.212 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.263 -9.023 -5.219 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.037 -9.002 -9.281 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.860 -6.892 -6.284 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.244 -6.877 -8.320 1.00 0.00 H new ATOM 599 N GLU A 40 -4.044 -13.690 -3.285 1.00 0.00 N ATOM 600 CA GLU A 40 -3.684 -14.920 -2.590 1.00 0.00 C ATOM 601 C GLU A 40 -4.447 -16.111 -3.160 1.00 0.00 C ATOM 602 O GLU A 40 -3.875 -17.176 -3.391 1.00 0.00 O ATOM 603 CB GLU A 40 -3.969 -14.787 -1.092 1.00 0.00 C ATOM 604 CG GLU A 40 -2.881 -14.050 -0.328 1.00 0.00 C ATOM 605 CD GLU A 40 -1.705 -14.942 0.019 1.00 0.00 C ATOM 606 OE1 GLU A 40 -1.255 -15.700 -0.866 1.00 0.00 O ATOM 607 OE2 GLU A 40 -1.235 -14.882 1.174 1.00 0.00 O ATOM 0 H GLU A 40 -4.634 -13.057 -2.745 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.617 -15.091 -2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.915 -14.263 -0.956 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.091 -15.782 -0.664 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.530 -13.208 -0.925 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.302 -13.637 0.589 1.00 0.00 H new ATOM 614 N GLY A 41 -5.744 -15.923 -3.385 1.00 0.00 N ATOM 615 CA GLY A 41 -6.566 -16.990 -3.926 1.00 0.00 C ATOM 616 C GLY A 41 -7.818 -17.230 -3.106 1.00 0.00 C ATOM 617 O GLY A 41 -8.827 -17.705 -3.627 1.00 0.00 O ATOM 0 H GLY A 41 -6.240 -15.051 -3.202 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.848 -16.744 -4.950 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.981 -17.909 -3.968 1.00 0.00 H new ATOM 621 N ARG A 42 -7.754 -16.902 -1.820 1.00 0.00 N ATOM 622 CA ARG A 42 -8.890 -17.087 -0.926 1.00 0.00 C ATOM 623 C ARG A 42 -10.174 -16.565 -1.565 1.00 0.00 C ATOM 624 O ARG A 42 -10.166 -15.544 -2.252 1.00 0.00 O ATOM 625 CB ARG A 42 -8.643 -16.372 0.403 1.00 0.00 C ATOM 626 CG ARG A 42 -7.537 -17.001 1.235 1.00 0.00 C ATOM 627 CD ARG A 42 -7.968 -18.338 1.816 1.00 0.00 C ATOM 628 NE ARG A 42 -8.708 -18.180 3.065 1.00 0.00 N ATOM 629 CZ ARG A 42 -8.127 -18.004 4.247 1.00 0.00 C ATOM 630 NH1 ARG A 42 -6.805 -17.965 4.340 1.00 0.00 N ATOM 631 NH2 ARG A 42 -8.869 -17.867 5.338 1.00 0.00 N ATOM 0 H ARG A 42 -6.927 -16.506 -1.374 1.00 0.00 H new ATOM 0 HA ARG A 42 -9.004 -18.155 -0.740 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.390 -15.331 0.204 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.566 -16.370 0.982 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.650 -17.141 0.617 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.259 -16.325 2.043 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.589 -18.865 1.091 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.088 -18.957 1.992 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.727 -18.206 3.028 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.232 -18.070 3.503 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.361 -17.830 5.248 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.886 -17.897 5.270 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.422 -17.732 6.245 1.00 0.00 H new ATOM 645 N GLN A 43 -11.275 -17.273 -1.333 1.00 0.00 N ATOM 646 CA GLN A 43 -12.566 -16.881 -1.886 1.00 0.00 C ATOM 647 C GLN A 43 -13.014 -15.536 -1.324 1.00 0.00 C ATOM 648 O GLN A 43 -13.811 -14.830 -1.940 1.00 0.00 O ATOM 649 CB GLN A 43 -13.619 -17.949 -1.585 1.00 0.00 C ATOM 650 CG GLN A 43 -13.832 -18.192 -0.100 1.00 0.00 C ATOM 651 CD GLN A 43 -14.807 -17.209 0.518 1.00 0.00 C ATOM 652 OE1 GLN A 43 -15.517 -16.494 -0.189 1.00 0.00 O ATOM 653 NE2 GLN A 43 -14.847 -17.170 1.845 1.00 0.00 N ATOM 0 H GLN A 43 -11.299 -18.121 -0.766 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.455 -16.784 -2.966 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -14.566 -17.651 -2.035 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -13.321 -18.884 -2.059 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -14.201 -19.207 0.049 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -12.875 -18.122 0.417 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -14.240 -17.781 2.392 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -15.485 -16.529 2.317 1.00 0.00 H new ATOM 662 N ALA A 44 -12.495 -15.189 -0.151 1.00 0.00 N ATOM 663 CA ALA A 44 -12.841 -13.928 0.493 1.00 0.00 C ATOM 664 C ALA A 44 -12.010 -12.779 -0.069 1.00 0.00 C ATOM 665 O ALA A 44 -12.501 -11.660 -0.220 1.00 0.00 O ATOM 666 CB ALA A 44 -12.648 -14.034 1.999 1.00 0.00 C ATOM 0 H ALA A 44 -11.834 -15.763 0.372 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.890 -13.718 0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -12.910 -13.085 2.467 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.289 -14.822 2.393 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -11.606 -14.270 2.217 1.00 0.00 H new ATOM 672 N LYS A 45 -10.749 -13.062 -0.376 1.00 0.00 N ATOM 673 CA LYS A 45 -9.849 -12.052 -0.922 1.00 0.00 C ATOM 674 C LYS A 45 -9.597 -12.295 -2.407 1.00 0.00 C ATOM 675 O LYS A 45 -8.750 -13.108 -2.779 1.00 0.00 O ATOM 676 CB LYS A 45 -8.522 -12.058 -0.160 1.00 0.00 C ATOM 677 CG LYS A 45 -8.685 -11.963 1.347 1.00 0.00 C ATOM 678 CD LYS A 45 -9.426 -10.699 1.750 1.00 0.00 C ATOM 679 CE LYS A 45 -8.560 -9.463 1.565 1.00 0.00 C ATOM 680 NZ LYS A 45 -7.715 -9.194 2.761 1.00 0.00 N ATOM 0 H LYS A 45 -10.326 -13.983 -0.256 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.322 -11.077 -0.807 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.978 -12.971 -0.401 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.911 -11.223 -0.504 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.228 -12.835 1.711 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.704 -11.977 1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.333 -10.602 1.153 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.736 -10.774 2.792 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.922 -9.594 0.691 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.196 -8.600 1.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.127 -8.353 2.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.325 -9.027 3.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.102 -10.014 2.944 1.00 0.00 H new ATOM 694 N THR A 46 -10.336 -11.583 -3.252 1.00 0.00 N ATOM 695 CA THR A 46 -10.192 -11.720 -4.696 1.00 0.00 C ATOM 696 C THR A 46 -9.620 -10.450 -5.314 1.00 0.00 C ATOM 697 O THR A 46 -9.795 -9.346 -4.799 1.00 0.00 O ATOM 698 CB THR A 46 -11.540 -12.042 -5.367 1.00 0.00 C ATOM 699 OG1 THR A 46 -12.486 -11.004 -5.088 1.00 0.00 O ATOM 700 CG2 THR A 46 -12.084 -13.376 -4.877 1.00 0.00 C ATOM 0 H THR A 46 -11.041 -10.905 -2.961 1.00 0.00 H new ATOM 0 HA THR A 46 -9.503 -12.547 -4.868 1.00 0.00 H new ATOM 0 HB THR A 46 -11.379 -12.107 -6.443 1.00 0.00 H new ATOM 0 HG1 THR A 46 -13.340 -11.215 -5.520 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.037 -13.582 -5.365 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.375 -14.168 -5.117 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.231 -13.335 -3.798 1.00 0.00 H new ATOM 708 N PRO A 47 -8.919 -10.606 -6.448 1.00 0.00 N ATOM 709 CA PRO A 47 -8.308 -9.482 -7.162 1.00 0.00 C ATOM 710 C PRO A 47 -9.347 -8.576 -7.814 1.00 0.00 C ATOM 711 O PRO A 47 -9.094 -7.394 -8.046 1.00 0.00 O ATOM 712 CB PRO A 47 -7.449 -10.164 -8.229 1.00 0.00 C ATOM 713 CG PRO A 47 -8.097 -11.487 -8.448 1.00 0.00 C ATOM 714 CD PRO A 47 -8.670 -11.893 -7.119 1.00 0.00 C ATOM 0 HA PRO A 47 -7.744 -8.832 -6.493 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.422 -9.579 -9.149 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.418 -10.279 -7.894 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.878 -11.418 -9.205 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.374 -12.222 -8.802 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -9.588 -12.469 -7.236 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.974 -12.513 -6.554 1.00 0.00 H new ATOM 722 N GLU A 48 -10.516 -9.138 -8.106 1.00 0.00 N ATOM 723 CA GLU A 48 -11.592 -8.379 -8.732 1.00 0.00 C ATOM 724 C GLU A 48 -12.224 -7.410 -7.737 1.00 0.00 C ATOM 725 O GLU A 48 -12.756 -6.368 -8.121 1.00 0.00 O ATOM 726 CB GLU A 48 -12.658 -9.326 -9.286 1.00 0.00 C ATOM 727 CG GLU A 48 -12.383 -9.788 -10.707 1.00 0.00 C ATOM 728 CD GLU A 48 -12.630 -8.698 -11.732 1.00 0.00 C ATOM 729 OE1 GLU A 48 -12.286 -7.531 -11.453 1.00 0.00 O ATOM 730 OE2 GLU A 48 -13.166 -9.014 -12.815 1.00 0.00 O ATOM 0 H GLU A 48 -10.742 -10.115 -7.919 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.166 -7.803 -9.553 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.729 -10.199 -8.637 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.626 -8.827 -9.256 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.349 -10.125 -10.782 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.015 -10.646 -10.935 1.00 0.00 H new ATOM 737 N ARG A 49 -12.162 -7.761 -6.456 1.00 0.00 N ATOM 738 CA ARG A 49 -12.730 -6.925 -5.406 1.00 0.00 C ATOM 739 C ARG A 49 -11.821 -5.737 -5.106 1.00 0.00 C ATOM 740 O ARG A 49 -12.292 -4.619 -4.896 1.00 0.00 O ATOM 741 CB ARG A 49 -12.950 -7.746 -4.134 1.00 0.00 C ATOM 742 CG ARG A 49 -14.052 -7.200 -3.240 1.00 0.00 C ATOM 743 CD ARG A 49 -14.150 -7.979 -1.938 1.00 0.00 C ATOM 744 NE ARG A 49 -15.485 -7.898 -1.351 1.00 0.00 N ATOM 745 CZ ARG A 49 -15.864 -8.600 -0.289 1.00 0.00 C ATOM 746 NH1 ARG A 49 -15.014 -9.430 0.300 1.00 0.00 N ATOM 747 NH2 ARG A 49 -17.096 -8.472 0.187 1.00 0.00 N ATOM 0 H ARG A 49 -11.724 -8.619 -6.121 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.690 -6.547 -5.757 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.193 -8.772 -4.411 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.019 -7.781 -3.569 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.859 -6.149 -3.023 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -15.006 -7.247 -3.766 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.897 -9.023 -2.121 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.418 -7.593 -1.229 1.00 0.00 H new ATOM 0 HE ARG A 49 -16.163 -7.268 -1.780 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.066 -9.531 -0.062 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.308 -9.968 1.115 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.753 -7.834 -0.263 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -17.386 -9.011 1.003 1.00 0.00 H new ATOM 761 N TYR A 50 -10.516 -5.987 -5.089 1.00 0.00 N ATOM 762 CA TYR A 50 -9.541 -4.939 -4.812 1.00 0.00 C ATOM 763 C TYR A 50 -9.698 -3.777 -5.788 1.00 0.00 C ATOM 764 O TYR A 50 -9.472 -2.619 -5.436 1.00 0.00 O ATOM 765 CB TYR A 50 -8.120 -5.500 -4.894 1.00 0.00 C ATOM 766 CG TYR A 50 -7.085 -4.473 -5.294 1.00 0.00 C ATOM 767 CD1 TYR A 50 -6.517 -3.626 -4.351 1.00 0.00 C ATOM 768 CD2 TYR A 50 -6.675 -4.351 -6.616 1.00 0.00 C ATOM 769 CE1 TYR A 50 -5.572 -2.686 -4.712 1.00 0.00 C ATOM 770 CE2 TYR A 50 -5.729 -3.415 -6.986 1.00 0.00 C ATOM 771 CZ TYR A 50 -5.181 -2.584 -6.031 1.00 0.00 C ATOM 772 OH TYR A 50 -4.238 -1.650 -6.395 1.00 0.00 O ATOM 0 H TYR A 50 -10.109 -6.906 -5.264 1.00 0.00 H new ATOM 0 HA TYR A 50 -9.721 -4.569 -3.803 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.848 -5.920 -3.926 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.103 -6.319 -5.613 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.820 -3.704 -3.317 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -7.103 -4.999 -7.367 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.142 -2.034 -3.966 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.420 -3.334 -8.018 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.343 -1.987 -6.180 1.00 0.00 H new ATOM 782 N LEU A 51 -10.086 -4.095 -7.018 1.00 0.00 N ATOM 783 CA LEU A 51 -10.275 -3.079 -8.048 1.00 0.00 C ATOM 784 C LEU A 51 -11.421 -2.141 -7.684 1.00 0.00 C ATOM 785 O LEU A 51 -11.282 -0.919 -7.746 1.00 0.00 O ATOM 786 CB LEU A 51 -10.551 -3.739 -9.400 1.00 0.00 C ATOM 787 CG LEU A 51 -9.324 -4.057 -10.255 1.00 0.00 C ATOM 788 CD1 LEU A 51 -9.705 -4.952 -11.424 1.00 0.00 C ATOM 789 CD2 LEU A 51 -8.675 -2.773 -10.753 1.00 0.00 C ATOM 0 H LEU A 51 -10.276 -5.048 -7.327 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.358 -2.493 -8.117 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.097 -4.666 -9.224 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.209 -3.086 -9.973 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.602 -4.590 -9.637 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.819 -5.168 -12.021 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.124 -5.885 -11.047 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.446 -4.446 -12.043 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.803 -3.018 -11.360 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.391 -2.213 -11.355 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.366 -2.168 -9.901 1.00 0.00 H new ATOM 801 N LYS A 52 -12.554 -2.720 -7.301 1.00 0.00 N ATOM 802 CA LYS A 52 -13.725 -1.937 -6.923 1.00 0.00 C ATOM 803 C LYS A 52 -13.340 -0.808 -5.972 1.00 0.00 C ATOM 804 O LYS A 52 -13.661 0.356 -6.215 1.00 0.00 O ATOM 805 CB LYS A 52 -14.774 -2.836 -6.265 1.00 0.00 C ATOM 806 CG LYS A 52 -15.965 -2.075 -5.709 1.00 0.00 C ATOM 807 CD LYS A 52 -16.958 -1.717 -6.803 1.00 0.00 C ATOM 808 CE LYS A 52 -18.294 -1.280 -6.222 1.00 0.00 C ATOM 809 NZ LYS A 52 -19.235 -0.820 -7.280 1.00 0.00 N ATOM 0 H LYS A 52 -12.686 -3.730 -7.244 1.00 0.00 H new ATOM 0 HA LYS A 52 -14.146 -1.499 -7.828 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -15.127 -3.563 -6.996 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.304 -3.398 -5.458 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.461 -2.679 -4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.620 -1.165 -5.218 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.549 -0.917 -7.419 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -17.108 -2.577 -7.456 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -18.741 -2.110 -5.674 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -18.132 -0.475 -5.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -20.134 -0.531 -6.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -18.820 -0.012 -7.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -19.410 -1.596 -7.950 1.00 0.00 H new ATOM 823 N ILE A 53 -12.650 -1.159 -4.893 1.00 0.00 N ATOM 824 CA ILE A 53 -12.219 -0.173 -3.908 1.00 0.00 C ATOM 825 C ILE A 53 -11.268 0.844 -4.528 1.00 0.00 C ATOM 826 O ILE A 53 -11.486 2.052 -4.433 1.00 0.00 O ATOM 827 CB ILE A 53 -11.526 -0.843 -2.708 1.00 0.00 C ATOM 828 CG1 ILE A 53 -12.489 -1.800 -2.003 1.00 0.00 C ATOM 829 CG2 ILE A 53 -11.012 0.210 -1.737 1.00 0.00 C ATOM 830 CD1 ILE A 53 -11.798 -2.963 -1.326 1.00 0.00 C ATOM 0 H ILE A 53 -12.377 -2.118 -4.678 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.116 0.338 -3.560 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.675 -1.418 -3.074 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.061 -1.245 -1.259 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.203 -2.186 -2.731 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -10.525 -0.280 -0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.296 0.855 -2.246 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.847 0.810 -1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.542 -3.600 -0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.249 -3.542 -2.068 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -11.105 -2.587 -0.574 1.00 0.00 H new ATOM 842 N ARG A 54 -10.213 0.347 -5.166 1.00 0.00 N ATOM 843 CA ARG A 54 -9.228 1.213 -5.803 1.00 0.00 C ATOM 844 C ARG A 54 -9.901 2.184 -6.768 1.00 0.00 C ATOM 845 O ARG A 54 -9.913 3.393 -6.540 1.00 0.00 O ATOM 846 CB ARG A 54 -8.187 0.375 -6.548 1.00 0.00 C ATOM 847 CG ARG A 54 -7.160 1.206 -7.299 1.00 0.00 C ATOM 848 CD ARG A 54 -6.105 0.329 -7.954 1.00 0.00 C ATOM 849 NE ARG A 54 -6.483 -0.062 -9.310 1.00 0.00 N ATOM 850 CZ ARG A 54 -5.819 -0.961 -10.028 1.00 0.00 C ATOM 851 NH1 ARG A 54 -4.750 -1.559 -9.522 1.00 0.00 N ATOM 852 NH2 ARG A 54 -6.226 -1.263 -11.254 1.00 0.00 N ATOM 0 H ARG A 54 -10.019 -0.650 -5.255 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.730 1.790 -5.024 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.671 -0.266 -5.834 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.698 -0.280 -7.254 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.661 1.804 -8.060 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.680 1.902 -6.611 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.156 0.864 -7.982 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.950 -0.564 -7.349 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.302 0.380 -9.728 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.435 -1.329 -8.579 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.242 -2.249 -10.075 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.049 -0.805 -11.646 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.716 -1.953 -11.805 1.00 0.00 H new ATOM 866 N ASN A 55 -10.459 1.646 -7.848 1.00 0.00 N ATOM 867 CA ASN A 55 -11.133 2.465 -8.849 1.00 0.00 C ATOM 868 C ASN A 55 -11.854 3.640 -8.194 1.00 0.00 C ATOM 869 O ASN A 55 -11.848 4.754 -8.718 1.00 0.00 O ATOM 870 CB ASN A 55 -12.130 1.619 -9.643 1.00 0.00 C ATOM 871 CG ASN A 55 -11.488 0.937 -10.836 1.00 0.00 C ATOM 872 OD1 ASN A 55 -11.972 1.048 -11.963 1.00 0.00 O ATOM 873 ND2 ASN A 55 -10.393 0.227 -10.593 1.00 0.00 N ATOM 0 H ASN A 55 -10.458 0.647 -8.052 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.378 2.858 -9.529 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -12.565 0.865 -8.988 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -12.947 2.253 -9.987 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.917 -0.254 -11.356 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.027 0.163 -9.643 1.00 0.00 H new ATOM 880 N TYR A 56 -12.473 3.382 -7.047 1.00 0.00 N ATOM 881 CA TYR A 56 -13.200 4.418 -6.322 1.00 0.00 C ATOM 882 C TYR A 56 -12.245 5.480 -5.787 1.00 0.00 C ATOM 883 O TYR A 56 -12.436 6.675 -6.017 1.00 0.00 O ATOM 884 CB TYR A 56 -13.992 3.800 -5.169 1.00 0.00 C ATOM 885 CG TYR A 56 -14.931 4.773 -4.490 1.00 0.00 C ATOM 886 CD1 TYR A 56 -16.193 5.029 -5.012 1.00 0.00 C ATOM 887 CD2 TYR A 56 -14.555 5.434 -3.328 1.00 0.00 C ATOM 888 CE1 TYR A 56 -17.053 5.917 -4.396 1.00 0.00 C ATOM 889 CE2 TYR A 56 -15.410 6.323 -2.704 1.00 0.00 C ATOM 890 CZ TYR A 56 -16.657 6.562 -3.242 1.00 0.00 C ATOM 891 OH TYR A 56 -17.512 7.446 -2.624 1.00 0.00 O ATOM 0 H TYR A 56 -12.486 2.465 -6.600 1.00 0.00 H new ATOM 0 HA TYR A 56 -13.892 4.895 -7.016 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -14.568 2.955 -5.547 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -13.294 3.405 -4.430 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -16.507 4.525 -5.914 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -13.578 5.250 -2.905 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -18.030 6.106 -4.815 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -15.103 6.828 -1.800 1.00 0.00 H new ATOM 0 HH TYR A 56 -17.081 7.813 -1.824 1.00 0.00 H new ATOM 901 N ILE A 57 -11.217 5.036 -5.072 1.00 0.00 N ATOM 902 CA ILE A 57 -10.231 5.948 -4.506 1.00 0.00 C ATOM 903 C ILE A 57 -9.585 6.803 -5.591 1.00 0.00 C ATOM 904 O ILE A 57 -9.621 8.033 -5.532 1.00 0.00 O ATOM 905 CB ILE A 57 -9.130 5.185 -3.746 1.00 0.00 C ATOM 906 CG1 ILE A 57 -9.721 4.468 -2.531 1.00 0.00 C ATOM 907 CG2 ILE A 57 -8.023 6.138 -3.318 1.00 0.00 C ATOM 908 CD1 ILE A 57 -8.748 3.533 -1.847 1.00 0.00 C ATOM 0 H ILE A 57 -11.045 4.051 -4.871 1.00 0.00 H new ATOM 0 HA ILE A 57 -10.763 6.594 -3.807 1.00 0.00 H new ATOM 0 HB ILE A 57 -8.701 4.437 -4.413 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.064 5.212 -1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -10.597 3.901 -2.845 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.253 5.584 -2.782 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.586 6.607 -4.199 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.437 6.907 -2.665 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.236 3.060 -0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.424 2.767 -2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.882 4.098 -1.502 1.00 0.00 H new ATOM 920 N LEU A 58 -8.995 6.144 -6.582 1.00 0.00 N ATOM 921 CA LEU A 58 -8.342 6.843 -7.683 1.00 0.00 C ATOM 922 C LEU A 58 -9.245 7.936 -8.246 1.00 0.00 C ATOM 923 O LEU A 58 -8.779 9.020 -8.599 1.00 0.00 O ATOM 924 CB LEU A 58 -7.966 5.856 -8.789 1.00 0.00 C ATOM 925 CG LEU A 58 -6.580 5.219 -8.678 1.00 0.00 C ATOM 926 CD1 LEU A 58 -6.424 4.099 -9.696 1.00 0.00 C ATOM 927 CD2 LEU A 58 -5.494 6.268 -8.865 1.00 0.00 C ATOM 0 H LEU A 58 -8.955 5.127 -6.646 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.435 7.309 -7.298 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.710 5.059 -8.806 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.031 6.372 -9.747 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.476 4.792 -7.680 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.432 3.658 -9.602 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.180 3.335 -9.515 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.549 4.501 -10.701 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.515 5.797 -8.783 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.595 6.725 -9.849 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.593 7.035 -8.097 1.00 0.00 H new ATOM 939 N ASP A 59 -10.538 7.644 -8.326 1.00 0.00 N ATOM 940 CA ASP A 59 -11.508 8.603 -8.843 1.00 0.00 C ATOM 941 C ASP A 59 -11.682 9.773 -7.879 1.00 0.00 C ATOM 942 O ASP A 59 -11.543 10.933 -8.266 1.00 0.00 O ATOM 943 CB ASP A 59 -12.855 7.919 -9.084 1.00 0.00 C ATOM 944 CG ASP A 59 -13.778 8.749 -9.954 1.00 0.00 C ATOM 945 OD1 ASP A 59 -13.477 8.907 -11.156 1.00 0.00 O ATOM 946 OD2 ASP A 59 -14.802 9.239 -9.434 1.00 0.00 O ATOM 0 H ASP A 59 -10.939 6.751 -8.040 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.131 8.989 -9.790 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.688 6.951 -9.556 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.338 7.727 -8.126 1.00 0.00 H new ATOM 951 N GLN A 60 -11.989 9.459 -6.625 1.00 0.00 N ATOM 952 CA GLN A 60 -12.184 10.485 -5.607 1.00 0.00 C ATOM 953 C GLN A 60 -10.966 11.397 -5.513 1.00 0.00 C ATOM 954 O GLN A 60 -11.099 12.616 -5.398 1.00 0.00 O ATOM 955 CB GLN A 60 -12.458 9.839 -4.248 1.00 0.00 C ATOM 956 CG GLN A 60 -13.735 9.015 -4.212 1.00 0.00 C ATOM 957 CD GLN A 60 -14.956 9.812 -4.629 1.00 0.00 C ATOM 958 OE1 GLN A 60 -15.514 9.477 -5.786 1.00 0.00 O flip ATOM 959 NE2 GLN A 60 -15.392 10.718 -3.919 1.00 0.00 N flip ATOM 0 H GLN A 60 -12.108 8.503 -6.289 1.00 0.00 H new ATOM 0 HA GLN A 60 -13.045 11.088 -5.895 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.616 9.200 -3.982 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -12.518 10.620 -3.490 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.626 8.154 -4.871 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -13.885 8.628 -3.204 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.931 10.941 -3.037 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.214 11.245 -4.213 1.00 0.00 H new ATOM 968 N TRP A 61 -9.781 10.800 -5.563 1.00 0.00 N ATOM 969 CA TRP A 61 -8.538 11.560 -5.483 1.00 0.00 C ATOM 970 C TRP A 61 -8.578 12.767 -6.413 1.00 0.00 C ATOM 971 O TRP A 61 -8.299 13.891 -5.997 1.00 0.00 O ATOM 972 CB TRP A 61 -7.347 10.668 -5.836 1.00 0.00 C ATOM 973 CG TRP A 61 -6.212 11.415 -6.469 1.00 0.00 C ATOM 974 CD1 TRP A 61 -5.641 11.162 -7.683 1.00 0.00 C ATOM 975 CD2 TRP A 61 -5.511 12.535 -5.919 1.00 0.00 C ATOM 976 NE1 TRP A 61 -4.627 12.057 -7.921 1.00 0.00 N ATOM 977 CE2 TRP A 61 -4.527 12.910 -6.854 1.00 0.00 C ATOM 978 CE3 TRP A 61 -5.619 13.258 -4.728 1.00 0.00 C ATOM 979 CZ2 TRP A 61 -3.658 13.976 -6.633 1.00 0.00 C ATOM 980 CZ3 TRP A 61 -4.755 14.315 -4.510 1.00 0.00 C ATOM 981 CH2 TRP A 61 -3.786 14.666 -5.459 1.00 0.00 C ATOM 0 H TRP A 61 -9.654 9.792 -5.659 1.00 0.00 H new ATOM 0 HA TRP A 61 -8.424 11.917 -4.459 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -6.989 10.177 -4.931 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -7.679 9.883 -6.515 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.942 10.374 -8.357 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -4.043 12.082 -8.757 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.364 12.996 -3.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.910 14.248 -7.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -4.828 14.880 -3.592 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.127 15.498 -5.260 1.00 0.00 H new ATOM 992 N GLU A 62 -8.925 12.527 -7.673 1.00 0.00 N ATOM 993 CA GLU A 62 -9.000 13.597 -8.662 1.00 0.00 C ATOM 994 C GLU A 62 -10.202 14.499 -8.397 1.00 0.00 C ATOM 995 O GLU A 62 -10.199 15.676 -8.759 1.00 0.00 O ATOM 996 CB GLU A 62 -9.089 13.012 -10.073 1.00 0.00 C ATOM 997 CG GLU A 62 -8.385 11.674 -10.222 1.00 0.00 C ATOM 998 CD GLU A 62 -7.946 11.402 -11.648 1.00 0.00 C ATOM 999 OE1 GLU A 62 -8.800 11.466 -12.556 1.00 0.00 O ATOM 1000 OE2 GLU A 62 -6.746 11.124 -11.855 1.00 0.00 O ATOM 0 H GLU A 62 -9.159 11.602 -8.034 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.093 14.196 -8.581 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.138 12.893 -10.342 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.657 13.721 -10.779 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.514 11.651 -9.567 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.053 10.878 -9.893 1.00 0.00 H new ATOM 1007 N ILE A 63 -11.227 13.939 -7.764 1.00 0.00 N ATOM 1008 CA ILE A 63 -12.435 14.692 -7.450 1.00 0.00 C ATOM 1009 C ILE A 63 -12.145 15.802 -6.445 1.00 0.00 C ATOM 1010 O ILE A 63 -12.861 16.802 -6.386 1.00 0.00 O ATOM 1011 CB ILE A 63 -13.538 13.778 -6.884 1.00 0.00 C ATOM 1012 CG1 ILE A 63 -14.096 12.875 -7.986 1.00 0.00 C ATOM 1013 CG2 ILE A 63 -14.648 14.610 -6.261 1.00 0.00 C ATOM 1014 CD1 ILE A 63 -14.978 11.762 -7.465 1.00 0.00 C ATOM 0 H ILE A 63 -11.245 12.966 -7.458 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.784 15.132 -8.384 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.105 13.148 -6.108 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -14.667 13.482 -8.688 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.266 12.440 -8.543 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.420 13.949 -5.866 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -14.239 15.215 -5.452 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -15.082 15.263 -7.018 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -15.338 11.162 -8.301 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -14.405 11.131 -6.786 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -15.828 12.190 -6.933 1.00 0.00 H new ATOM 1026 N CYS A 64 -11.090 15.620 -5.659 1.00 0.00 N ATOM 1027 CA CYS A 64 -10.704 16.606 -4.656 1.00 0.00 C ATOM 1028 C CYS A 64 -9.408 17.306 -5.053 1.00 0.00 C ATOM 1029 O CYS A 64 -9.218 18.490 -4.772 1.00 0.00 O ATOM 1030 CB CYS A 64 -10.540 15.939 -3.290 1.00 0.00 C ATOM 1031 SG CYS A 64 -8.932 15.149 -3.044 1.00 0.00 S ATOM 0 H CYS A 64 -10.486 14.799 -5.697 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.495 17.353 -4.594 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -10.688 16.688 -2.512 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -11.323 15.191 -3.166 1.00 0.00 H new ATOM 0 HG CYS A 64 -7.999 16.055 -3.041 1.00 0.00 H new ATOM 1037 N LYS A 65 -8.519 16.567 -5.707 1.00 0.00 N ATOM 1038 CA LYS A 65 -7.240 17.115 -6.143 1.00 0.00 C ATOM 1039 C LYS A 65 -7.399 18.554 -6.620 1.00 0.00 C ATOM 1040 O LYS A 65 -8.473 18.976 -7.050 1.00 0.00 O ATOM 1041 CB LYS A 65 -6.649 16.256 -7.264 1.00 0.00 C ATOM 1042 CG LYS A 65 -7.041 16.720 -8.656 1.00 0.00 C ATOM 1043 CD LYS A 65 -6.411 15.852 -9.731 1.00 0.00 C ATOM 1044 CE LYS A 65 -4.991 16.297 -10.045 1.00 0.00 C ATOM 1045 NZ LYS A 65 -4.055 15.997 -8.926 1.00 0.00 N ATOM 0 H LYS A 65 -8.661 15.586 -5.947 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.560 17.107 -5.291 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.562 16.262 -7.181 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.973 15.224 -7.129 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.126 16.695 -8.757 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.732 17.756 -8.796 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.404 14.813 -9.403 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.016 15.896 -10.637 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.646 15.798 -10.951 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.983 17.368 -10.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.119 15.758 -9.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.973 16.830 -8.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.418 15.193 -8.376 1.00 0.00 H new ATOM 1059 N PRO A 66 -6.306 19.328 -6.546 1.00 0.00 N ATOM 1060 CA PRO A 66 -5.022 18.837 -6.036 1.00 0.00 C ATOM 1061 C PRO A 66 -5.057 18.574 -4.535 1.00 0.00 C ATOM 1062 O PRO A 66 -4.132 17.986 -3.975 1.00 0.00 O ATOM 1063 CB PRO A 66 -4.054 19.979 -6.357 1.00 0.00 C ATOM 1064 CG PRO A 66 -4.910 21.196 -6.418 1.00 0.00 C ATOM 1065 CD PRO A 66 -6.239 20.741 -6.954 1.00 0.00 C ATOM 0 HA PRO A 66 -4.742 17.884 -6.484 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.285 20.074 -5.590 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.541 19.808 -7.303 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.020 21.645 -5.431 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.467 21.953 -7.065 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.061 21.320 -6.534 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.294 20.849 -8.037 1.00 0.00 H new ATOM 1073 N LYS A 67 -6.132 19.012 -3.887 1.00 0.00 N ATOM 1074 CA LYS A 67 -6.289 18.823 -2.450 1.00 0.00 C ATOM 1075 C LYS A 67 -6.016 17.374 -2.059 1.00 0.00 C ATOM 1076 O LYS A 67 -6.223 16.457 -2.854 1.00 0.00 O ATOM 1077 CB LYS A 67 -7.701 19.222 -2.014 1.00 0.00 C ATOM 1078 CG LYS A 67 -7.866 20.714 -1.782 1.00 0.00 C ATOM 1079 CD LYS A 67 -7.580 21.510 -3.044 1.00 0.00 C ATOM 1080 CE LYS A 67 -7.645 23.007 -2.786 1.00 0.00 C ATOM 1081 NZ LYS A 67 -7.945 23.772 -4.029 1.00 0.00 N ATOM 0 H LYS A 67 -6.907 19.500 -4.335 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.564 19.461 -1.943 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.412 18.900 -2.775 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.953 18.690 -1.097 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.881 20.920 -1.443 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.193 21.036 -0.987 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.593 21.248 -3.425 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.301 21.241 -3.816 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.411 23.214 -2.039 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.695 23.346 -2.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.981 24.788 -3.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.201 23.595 -4.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.863 23.467 -4.411 1.00 0.00 H new ATOM 1095 N TYR A 68 -5.551 17.175 -0.831 1.00 0.00 N ATOM 1096 CA TYR A 68 -5.249 15.838 -0.335 1.00 0.00 C ATOM 1097 C TYR A 68 -6.530 15.049 -0.081 1.00 0.00 C ATOM 1098 O TYR A 68 -7.547 15.608 0.331 1.00 0.00 O ATOM 1099 CB TYR A 68 -4.425 15.922 0.951 1.00 0.00 C ATOM 1100 CG TYR A 68 -4.095 14.572 1.548 1.00 0.00 C ATOM 1101 CD1 TYR A 68 -4.999 13.918 2.376 1.00 0.00 C ATOM 1102 CD2 TYR A 68 -2.880 13.953 1.286 1.00 0.00 C ATOM 1103 CE1 TYR A 68 -4.702 12.685 2.925 1.00 0.00 C ATOM 1104 CE2 TYR A 68 -2.575 12.720 1.829 1.00 0.00 C ATOM 1105 CZ TYR A 68 -3.489 12.090 2.648 1.00 0.00 C ATOM 1106 OH TYR A 68 -3.188 10.862 3.192 1.00 0.00 O ATOM 0 H TYR A 68 -5.375 17.923 -0.160 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.668 15.318 -1.097 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.497 16.455 0.744 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.973 16.511 1.686 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -5.950 14.381 2.594 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.161 14.444 0.647 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.416 12.190 3.567 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.626 12.252 1.613 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.230 10.684 3.088 1.00 0.00 H new ATOM 1116 N LEU A 69 -6.472 13.745 -0.327 1.00 0.00 N ATOM 1117 CA LEU A 69 -7.626 12.876 -0.125 1.00 0.00 C ATOM 1118 C LEU A 69 -7.437 11.997 1.107 1.00 0.00 C ATOM 1119 O LEU A 69 -6.422 11.315 1.245 1.00 0.00 O ATOM 1120 CB LEU A 69 -7.854 12.001 -1.359 1.00 0.00 C ATOM 1121 CG LEU A 69 -8.966 10.958 -1.247 1.00 0.00 C ATOM 1122 CD1 LEU A 69 -10.327 11.605 -1.448 1.00 0.00 C ATOM 1123 CD2 LEU A 69 -8.751 9.839 -2.256 1.00 0.00 C ATOM 0 H LEU A 69 -5.638 13.266 -0.667 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.501 13.507 0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.078 12.652 -2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.922 11.486 -1.591 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.935 10.528 -0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.106 10.847 -1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.482 12.370 -0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.370 12.062 -2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.552 9.106 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.754 10.253 -3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.793 9.356 -2.065 1.00 0.00 H new ATOM 1135 N ASN A 70 -8.422 12.016 1.999 1.00 0.00 N ATOM 1136 CA ASN A 70 -8.364 11.219 3.219 1.00 0.00 C ATOM 1137 C ASN A 70 -8.952 9.831 2.990 1.00 0.00 C ATOM 1138 O ASN A 70 -9.946 9.674 2.280 1.00 0.00 O ATOM 1139 CB ASN A 70 -9.117 11.924 4.349 1.00 0.00 C ATOM 1140 CG ASN A 70 -8.661 11.466 5.721 1.00 0.00 C ATOM 1141 OD1 ASN A 70 -8.197 10.339 5.889 1.00 0.00 O ATOM 1142 ND2 ASN A 70 -8.792 12.342 6.711 1.00 0.00 N ATOM 0 H ASN A 70 -9.270 12.574 1.900 1.00 0.00 H new ATOM 0 HA ASN A 70 -7.317 11.108 3.502 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.973 13.001 4.262 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.185 11.736 4.243 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.502 12.091 7.656 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.182 13.266 6.526 1.00 0.00 H new ATOM 1149 N LYS A 71 -8.332 8.824 3.596 1.00 0.00 N ATOM 1150 CA LYS A 71 -8.793 7.448 3.461 1.00 0.00 C ATOM 1151 C LYS A 71 -10.193 7.283 4.045 1.00 0.00 C ATOM 1152 O LYS A 71 -10.984 6.468 3.569 1.00 0.00 O ATOM 1153 CB LYS A 71 -7.823 6.492 4.159 1.00 0.00 C ATOM 1154 CG LYS A 71 -7.614 6.805 5.630 1.00 0.00 C ATOM 1155 CD LYS A 71 -6.898 5.671 6.345 1.00 0.00 C ATOM 1156 CE LYS A 71 -7.883 4.658 6.909 1.00 0.00 C ATOM 1157 NZ LYS A 71 -7.189 3.515 7.565 1.00 0.00 N ATOM 0 H LYS A 71 -7.508 8.936 4.186 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.830 7.207 2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.198 5.473 4.063 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.861 6.527 3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.034 7.723 5.729 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.578 6.985 6.105 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.219 5.173 5.652 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.288 6.076 7.153 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.536 5.149 7.631 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.519 4.284 6.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.895 2.847 7.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.585 3.030 6.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.602 3.868 8.347 1.00 0.00 H new ATOM 1171 N THR A 72 -10.494 8.064 5.078 1.00 0.00 N ATOM 1172 CA THR A 72 -11.798 8.005 5.726 1.00 0.00 C ATOM 1173 C THR A 72 -12.880 8.610 4.839 1.00 0.00 C ATOM 1174 O THR A 72 -14.066 8.324 5.007 1.00 0.00 O ATOM 1175 CB THR A 72 -11.787 8.742 7.078 1.00 0.00 C ATOM 1176 OG1 THR A 72 -12.848 8.256 7.909 1.00 0.00 O ATOM 1177 CG2 THR A 72 -11.939 10.242 6.879 1.00 0.00 C ATOM 0 H THR A 72 -9.852 8.745 5.484 1.00 0.00 H new ATOM 0 HA THR A 72 -12.019 6.951 5.897 1.00 0.00 H new ATOM 0 HB THR A 72 -10.829 8.552 7.562 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.834 8.728 8.768 1.00 0.00 H new ATOM 0 HG21 THR A 72 -11.928 10.741 7.848 1.00 0.00 H new ATOM 0 HG22 THR A 72 -11.114 10.614 6.271 1.00 0.00 H new ATOM 0 HG23 THR A 72 -12.883 10.448 6.375 1.00 0.00 H new ATOM 1185 N SER A 73 -12.465 9.448 3.894 1.00 0.00 N ATOM 1186 CA SER A 73 -13.400 10.096 2.982 1.00 0.00 C ATOM 1187 C SER A 73 -14.079 9.070 2.080 1.00 0.00 C ATOM 1188 O SER A 73 -15.178 9.301 1.575 1.00 0.00 O ATOM 1189 CB SER A 73 -12.675 11.140 2.131 1.00 0.00 C ATOM 1190 OG SER A 73 -13.587 11.860 1.320 1.00 0.00 O ATOM 0 H SER A 73 -11.487 9.694 3.740 1.00 0.00 H new ATOM 0 HA SER A 73 -14.166 10.592 3.578 1.00 0.00 H new ATOM 0 HB2 SER A 73 -12.136 11.831 2.779 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.933 10.649 1.501 1.00 0.00 H new ATOM 0 HG SER A 73 -13.099 12.522 0.787 1.00 0.00 H new ATOM 1196 N VAL A 74 -13.417 7.935 1.883 1.00 0.00 N ATOM 1197 CA VAL A 74 -13.955 6.872 1.043 1.00 0.00 C ATOM 1198 C VAL A 74 -14.375 5.669 1.880 1.00 0.00 C ATOM 1199 O VAL A 74 -14.954 4.713 1.365 1.00 0.00 O ATOM 1200 CB VAL A 74 -12.930 6.416 -0.012 1.00 0.00 C ATOM 1201 CG1 VAL A 74 -12.389 7.611 -0.782 1.00 0.00 C ATOM 1202 CG2 VAL A 74 -11.799 5.639 0.646 1.00 0.00 C ATOM 0 H VAL A 74 -12.507 7.728 2.294 1.00 0.00 H new ATOM 0 HA VAL A 74 -14.829 7.282 0.536 1.00 0.00 H new ATOM 0 HB VAL A 74 -13.431 5.755 -0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.666 7.269 -1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -13.210 8.122 -1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.902 8.299 -0.091 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -11.084 5.324 -0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -11.297 6.275 1.376 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.205 4.761 1.148 1.00 0.00 H new ATOM 1212 N ARG A 75 -14.080 5.725 3.175 1.00 0.00 N ATOM 1213 CA ARG A 75 -14.427 4.640 4.085 1.00 0.00 C ATOM 1214 C ARG A 75 -15.917 4.320 4.007 1.00 0.00 C ATOM 1215 O ARG A 75 -16.321 3.205 3.675 1.00 0.00 O ATOM 1216 CB ARG A 75 -14.048 5.008 5.520 1.00 0.00 C ATOM 1217 CG ARG A 75 -12.673 4.509 5.934 1.00 0.00 C ATOM 1218 CD ARG A 75 -12.374 4.842 7.388 1.00 0.00 C ATOM 1219 NE ARG A 75 -13.196 4.061 8.308 1.00 0.00 N ATOM 1220 CZ ARG A 75 -13.015 4.047 9.624 1.00 0.00 C ATOM 1221 NH1 ARG A 75 -12.046 4.767 10.171 1.00 0.00 N ATOM 1222 NH2 ARG A 75 -13.804 3.310 10.396 1.00 0.00 N ATOM 0 H ARG A 75 -13.602 6.510 3.617 1.00 0.00 H new ATOM 0 HA ARG A 75 -13.867 3.755 3.784 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.080 6.092 5.628 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.794 4.598 6.200 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.617 3.430 5.788 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.914 4.958 5.293 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.320 4.653 7.594 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.547 5.904 7.560 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.950 3.495 7.919 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.437 5.334 9.581 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.910 4.754 11.182 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.550 2.754 9.979 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.664 3.300 11.406 1.00 0.00 H new ATOM 1236 N PRO A 76 -16.754 5.320 4.320 1.00 0.00 N ATOM 1237 CA PRO A 76 -18.212 5.169 4.293 1.00 0.00 C ATOM 1238 C PRO A 76 -18.754 5.029 2.875 1.00 0.00 C ATOM 1239 O PRO A 76 -19.958 4.874 2.673 1.00 0.00 O ATOM 1240 CB PRO A 76 -18.714 6.467 4.932 1.00 0.00 C ATOM 1241 CG PRO A 76 -17.627 7.455 4.688 1.00 0.00 C ATOM 1242 CD PRO A 76 -16.342 6.675 4.725 1.00 0.00 C ATOM 0 HA PRO A 76 -18.539 4.268 4.812 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -19.652 6.792 4.483 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -18.899 6.337 5.998 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -17.757 7.948 3.724 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -17.632 8.236 5.449 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -15.600 7.090 4.043 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -15.898 6.679 5.720 1.00 0.00 H new ATOM 1250 N GLY A 77 -17.857 5.084 1.895 1.00 0.00 N ATOM 1251 CA GLY A 77 -18.266 4.961 0.508 1.00 0.00 C ATOM 1252 C GLY A 77 -18.125 3.545 -0.014 1.00 0.00 C ATOM 1253 O GLY A 77 -18.730 3.186 -1.025 1.00 0.00 O ATOM 0 H GLY A 77 -16.855 5.211 2.037 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -19.304 5.280 0.409 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -17.666 5.633 -0.106 1.00 0.00 H new ATOM 1257 N LEU A 78 -17.324 2.739 0.674 1.00 0.00 N ATOM 1258 CA LEU A 78 -17.104 1.354 0.273 1.00 0.00 C ATOM 1259 C LEU A 78 -17.198 0.418 1.474 1.00 0.00 C ATOM 1260 O LEU A 78 -16.360 -0.466 1.652 1.00 0.00 O ATOM 1261 CB LEU A 78 -15.737 1.208 -0.397 1.00 0.00 C ATOM 1262 CG LEU A 78 -15.485 2.102 -1.612 1.00 0.00 C ATOM 1263 CD1 LEU A 78 -13.999 2.386 -1.767 1.00 0.00 C ATOM 1264 CD2 LEU A 78 -16.041 1.457 -2.873 1.00 0.00 C ATOM 0 H LEU A 78 -16.816 3.021 1.512 1.00 0.00 H new ATOM 0 HA LEU A 78 -17.882 1.079 -0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.967 1.414 0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.614 0.169 -0.704 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.000 3.050 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -13.839 3.023 -2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.630 2.891 -0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.461 1.447 -1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -15.853 2.107 -3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.554 0.495 -3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -17.115 1.306 -2.761 1.00 0.00 H new ATOM 1276 N LYS A 79 -18.224 0.618 2.294 1.00 0.00 N ATOM 1277 CA LYS A 79 -18.431 -0.210 3.476 1.00 0.00 C ATOM 1278 C LYS A 79 -18.920 -1.601 3.088 1.00 0.00 C ATOM 1279 O LYS A 79 -18.353 -2.609 3.508 1.00 0.00 O ATOM 1280 CB LYS A 79 -19.439 0.453 4.418 1.00 0.00 C ATOM 1281 CG LYS A 79 -18.809 1.438 5.388 1.00 0.00 C ATOM 1282 CD LYS A 79 -18.167 0.726 6.567 1.00 0.00 C ATOM 1283 CE LYS A 79 -19.177 0.456 7.672 1.00 0.00 C ATOM 1284 NZ LYS A 79 -18.551 -0.216 8.844 1.00 0.00 N ATOM 0 H LYS A 79 -18.925 1.347 2.162 1.00 0.00 H new ATOM 0 HA LYS A 79 -17.475 -0.311 3.990 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -20.192 0.972 3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -19.957 -0.321 4.984 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -18.058 2.032 4.868 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -19.569 2.130 5.750 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -17.732 -0.216 6.232 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -17.351 1.332 6.959 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -19.627 1.396 7.990 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -19.982 -0.167 7.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -19.272 -0.382 9.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -18.144 -1.125 8.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -17.799 0.390 9.231 1.00 0.00 H new ATOM 1298 N ASN A 80 -19.977 -1.648 2.282 1.00 0.00 N ATOM 1299 CA ASN A 80 -20.542 -2.917 1.837 1.00 0.00 C ATOM 1300 C ASN A 80 -19.442 -3.875 1.389 1.00 0.00 C ATOM 1301 O ASN A 80 -19.513 -5.078 1.639 1.00 0.00 O ATOM 1302 CB ASN A 80 -21.529 -2.684 0.691 1.00 0.00 C ATOM 1303 CG ASN A 80 -22.491 -1.547 0.978 1.00 0.00 C ATOM 1304 OD1 ASN A 80 -22.535 -1.023 2.091 1.00 0.00 O ATOM 1305 ND2 ASN A 80 -23.267 -1.161 -0.028 1.00 0.00 N ATOM 0 H ASN A 80 -20.459 -0.823 1.924 1.00 0.00 H new ATOM 0 HA ASN A 80 -21.070 -3.367 2.678 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -20.976 -2.466 -0.223 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -22.095 -3.598 0.511 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -23.934 -0.401 0.105 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -23.196 -1.625 -0.934 1.00 0.00 H new ATOM 1312 N CYS A 81 -18.427 -3.332 0.726 1.00 0.00 N ATOM 1313 CA CYS A 81 -17.311 -4.139 0.242 1.00 0.00 C ATOM 1314 C CYS A 81 -16.126 -4.057 1.199 1.00 0.00 C ATOM 1315 O CYS A 81 -15.847 -3.002 1.768 1.00 0.00 O ATOM 1316 CB CYS A 81 -16.889 -3.678 -1.153 1.00 0.00 C ATOM 1317 SG CYS A 81 -15.626 -2.383 -1.152 1.00 0.00 S ATOM 0 H CYS A 81 -18.353 -2.338 0.511 1.00 0.00 H new ATOM 0 HA CYS A 81 -17.641 -5.177 0.189 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -16.513 -4.537 -1.710 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -17.768 -3.313 -1.685 1.00 0.00 H new ATOM 0 HG CYS A 81 -15.365 -2.032 0.072 1.00 0.00 H new ATOM 1323 N GLY A 82 -15.434 -5.178 1.373 1.00 0.00 N ATOM 1324 CA GLY A 82 -14.288 -5.212 2.263 1.00 0.00 C ATOM 1325 C GLY A 82 -14.503 -4.387 3.516 1.00 0.00 C ATOM 1326 O GLY A 82 -15.641 -4.123 3.906 1.00 0.00 O ATOM 0 H GLY A 82 -15.646 -6.064 0.914 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.080 -6.245 2.543 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.410 -4.842 1.734 1.00 0.00 H new ATOM 1330 N ASP A 83 -13.409 -3.982 4.150 1.00 0.00 N ATOM 1331 CA ASP A 83 -13.482 -3.182 5.368 1.00 0.00 C ATOM 1332 C ASP A 83 -12.212 -2.359 5.556 1.00 0.00 C ATOM 1333 O ASP A 83 -11.204 -2.594 4.889 1.00 0.00 O ATOM 1334 CB ASP A 83 -13.705 -4.085 6.583 1.00 0.00 C ATOM 1335 CG ASP A 83 -14.112 -3.304 7.817 1.00 0.00 C ATOM 1336 OD1 ASP A 83 -14.915 -2.357 7.682 1.00 0.00 O ATOM 1337 OD2 ASP A 83 -13.627 -3.639 8.918 1.00 0.00 O ATOM 0 H ASP A 83 -12.460 -4.194 3.841 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.325 -2.497 5.274 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -14.477 -4.819 6.350 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.790 -4.640 6.793 1.00 0.00 H new ATOM 1342 N VAL A 84 -12.267 -1.393 6.467 1.00 0.00 N ATOM 1343 CA VAL A 84 -11.121 -0.535 6.743 1.00 0.00 C ATOM 1344 C VAL A 84 -9.830 -1.343 6.794 1.00 0.00 C ATOM 1345 O VAL A 84 -8.742 -0.807 6.587 1.00 0.00 O ATOM 1346 CB VAL A 84 -11.294 0.222 8.073 1.00 0.00 C ATOM 1347 CG1 VAL A 84 -11.625 -0.746 9.199 1.00 0.00 C ATOM 1348 CG2 VAL A 84 -10.041 1.021 8.397 1.00 0.00 C ATOM 0 H VAL A 84 -13.094 -1.185 7.027 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.062 0.187 5.928 1.00 0.00 H new ATOM 0 HB VAL A 84 -12.125 0.919 7.969 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -11.744 -0.193 10.131 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -12.552 -1.270 8.967 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.817 -1.469 9.307 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.180 1.550 9.340 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.190 0.345 8.482 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.853 1.742 7.601 1.00 0.00 H new ATOM 1358 N ASN A 85 -9.958 -2.637 7.071 1.00 0.00 N ATOM 1359 CA ASN A 85 -8.800 -3.520 7.150 1.00 0.00 C ATOM 1360 C ASN A 85 -7.976 -3.453 5.867 1.00 0.00 C ATOM 1361 O ASN A 85 -6.771 -3.205 5.904 1.00 0.00 O ATOM 1362 CB ASN A 85 -9.247 -4.960 7.407 1.00 0.00 C ATOM 1363 CG ASN A 85 -9.609 -5.202 8.860 1.00 0.00 C ATOM 1364 OD1 ASN A 85 -10.371 -4.442 9.457 1.00 0.00 O ATOM 1365 ND2 ASN A 85 -9.061 -6.266 9.436 1.00 0.00 N ATOM 0 H ASN A 85 -10.852 -3.097 7.244 1.00 0.00 H new ATOM 0 HA ASN A 85 -8.176 -3.187 7.979 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -10.107 -5.188 6.778 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -8.449 -5.643 7.116 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.267 -6.480 10.412 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.435 -6.869 8.903 1.00 0.00 H new ATOM 1372 N CYS A 86 -8.636 -3.675 4.735 1.00 0.00 N ATOM 1373 CA CYS A 86 -7.965 -3.640 3.440 1.00 0.00 C ATOM 1374 C CYS A 86 -7.816 -2.205 2.944 1.00 0.00 C ATOM 1375 O CYS A 86 -6.763 -1.822 2.432 1.00 0.00 O ATOM 1376 CB CYS A 86 -8.744 -4.468 2.417 1.00 0.00 C ATOM 1377 SG CYS A 86 -10.437 -3.898 2.141 1.00 0.00 S ATOM 0 H CYS A 86 -9.634 -3.881 4.688 1.00 0.00 H new ATOM 0 HA CYS A 86 -6.970 -4.068 3.561 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -8.207 -4.452 1.468 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -8.771 -5.505 2.750 1.00 0.00 H new ATOM 0 HG CYS A 86 -10.870 -3.292 3.207 1.00 0.00 H new ATOM 1383 N ILE A 87 -8.875 -1.418 3.097 1.00 0.00 N ATOM 1384 CA ILE A 87 -8.862 -0.027 2.664 1.00 0.00 C ATOM 1385 C ILE A 87 -7.487 0.600 2.872 1.00 0.00 C ATOM 1386 O ILE A 87 -6.819 0.988 1.915 1.00 0.00 O ATOM 1387 CB ILE A 87 -9.914 0.808 3.418 1.00 0.00 C ATOM 1388 CG1 ILE A 87 -11.322 0.302 3.098 1.00 0.00 C ATOM 1389 CG2 ILE A 87 -9.779 2.280 3.058 1.00 0.00 C ATOM 1390 CD1 ILE A 87 -12.387 0.862 4.015 1.00 0.00 C ATOM 0 H ILE A 87 -9.754 -1.720 3.518 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.103 -0.025 1.601 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.744 0.700 4.489 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -11.567 0.561 2.068 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.332 -0.786 3.164 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.529 2.857 3.599 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.784 2.632 3.331 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -9.927 2.407 1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -13.360 0.461 3.730 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -12.165 0.581 5.044 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -12.404 1.949 3.932 1.00 0.00 H new ATOM 1402 N GLY A 88 -7.070 0.695 4.131 1.00 0.00 N ATOM 1403 CA GLY A 88 -5.777 1.274 4.443 1.00 0.00 C ATOM 1404 C GLY A 88 -4.697 0.836 3.473 1.00 0.00 C ATOM 1405 O GLY A 88 -3.966 1.666 2.931 1.00 0.00 O ATOM 0 H GLY A 88 -7.605 0.381 4.941 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -5.856 2.361 4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.489 0.989 5.455 1.00 0.00 H new ATOM 1409 N ARG A 89 -4.594 -0.471 3.255 1.00 0.00 N ATOM 1410 CA ARG A 89 -3.594 -1.017 2.346 1.00 0.00 C ATOM 1411 C ARG A 89 -3.677 -0.346 0.979 1.00 0.00 C ATOM 1412 O ARG A 89 -2.725 0.296 0.533 1.00 0.00 O ATOM 1413 CB ARG A 89 -3.781 -2.528 2.197 1.00 0.00 C ATOM 1414 CG ARG A 89 -3.458 -3.310 3.460 1.00 0.00 C ATOM 1415 CD ARG A 89 -1.990 -3.703 3.511 1.00 0.00 C ATOM 1416 NE ARG A 89 -1.617 -4.258 4.810 1.00 0.00 N ATOM 1417 CZ ARG A 89 -1.438 -3.520 5.900 1.00 0.00 C ATOM 1418 NH1 ARG A 89 -1.598 -2.205 5.848 1.00 0.00 N ATOM 1419 NH2 ARG A 89 -1.100 -4.098 7.046 1.00 0.00 N ATOM 0 H ARG A 89 -5.191 -1.171 3.695 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.609 -0.819 2.769 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.812 -2.731 1.908 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.146 -2.886 1.386 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.706 -2.709 4.335 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.077 -4.206 3.503 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.784 -4.436 2.731 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.373 -2.830 3.299 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.487 -5.267 4.884 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.859 -1.757 4.969 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.460 -1.641 6.687 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.977 -5.110 7.090 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.963 -3.531 7.882 1.00 0.00 H new ATOM 1433 N ILE A 90 -4.819 -0.500 0.318 1.00 0.00 N ATOM 1434 CA ILE A 90 -5.026 0.092 -0.998 1.00 0.00 C ATOM 1435 C ILE A 90 -4.743 1.590 -0.977 1.00 0.00 C ATOM 1436 O ILE A 90 -3.855 2.075 -1.679 1.00 0.00 O ATOM 1437 CB ILE A 90 -6.463 -0.142 -1.500 1.00 0.00 C ATOM 1438 CG1 ILE A 90 -6.788 -1.637 -1.506 1.00 0.00 C ATOM 1439 CG2 ILE A 90 -6.640 0.450 -2.891 1.00 0.00 C ATOM 1440 CD1 ILE A 90 -8.245 -1.937 -1.779 1.00 0.00 C ATOM 0 H ILE A 90 -5.615 -1.030 0.672 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.329 -0.397 -1.678 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.155 0.358 -0.822 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.176 -2.131 -2.261 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.512 -2.065 -0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.660 0.277 -3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.445 1.522 -2.858 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.941 -0.024 -3.580 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.403 -3.015 -1.768 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.862 -1.472 -1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.522 -1.540 -2.756 1.00 0.00 H new ATOM 1452 N HIS A 91 -5.504 2.319 -0.167 1.00 0.00 N ATOM 1453 CA HIS A 91 -5.334 3.763 -0.053 1.00 0.00 C ATOM 1454 C HIS A 91 -3.867 4.123 0.161 1.00 0.00 C ATOM 1455 O HIS A 91 -3.254 4.797 -0.668 1.00 0.00 O ATOM 1456 CB HIS A 91 -6.178 4.308 1.100 1.00 0.00 C ATOM 1457 CG HIS A 91 -6.455 5.776 0.998 1.00 0.00 C ATOM 1458 ND1 HIS A 91 -5.663 6.735 1.594 1.00 0.00 N ATOM 1459 CD2 HIS A 91 -7.443 6.449 0.362 1.00 0.00 C ATOM 1460 CE1 HIS A 91 -6.153 7.933 1.331 1.00 0.00 C ATOM 1461 NE2 HIS A 91 -7.233 7.787 0.585 1.00 0.00 N ATOM 0 H HIS A 91 -6.244 1.934 0.420 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.669 4.217 -0.985 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -7.125 3.769 1.132 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.665 4.108 2.041 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.247 6.014 -0.214 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -5.741 8.872 1.669 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -7.816 8.545 0.232 1.00 0.00 H new ATOM 1469 N THR A 92 -3.308 3.668 1.278 1.00 0.00 N ATOM 1470 CA THR A 92 -1.914 3.943 1.602 1.00 0.00 C ATOM 1471 C THR A 92 -1.010 3.686 0.402 1.00 0.00 C ATOM 1472 O THR A 92 -0.423 4.614 -0.155 1.00 0.00 O ATOM 1473 CB THR A 92 -1.433 3.083 2.786 1.00 0.00 C ATOM 1474 OG1 THR A 92 -2.171 3.418 3.967 1.00 0.00 O ATOM 1475 CG2 THR A 92 0.054 3.290 3.036 1.00 0.00 C ATOM 0 H THR A 92 -3.800 3.107 1.974 1.00 0.00 H new ATOM 0 HA THR A 92 -1.855 4.996 1.879 1.00 0.00 H new ATOM 0 HB THR A 92 -1.602 2.035 2.537 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.009 2.910 3.984 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.371 2.673 3.877 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.616 3.007 2.146 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.242 4.339 3.265 1.00 0.00 H new ATOM 1483 N TYR A 93 -0.902 2.422 0.008 1.00 0.00 N ATOM 1484 CA TYR A 93 -0.067 2.044 -1.125 1.00 0.00 C ATOM 1485 C TYR A 93 -0.137 3.095 -2.229 1.00 0.00 C ATOM 1486 O TYR A 93 0.832 3.812 -2.483 1.00 0.00 O ATOM 1487 CB TYR A 93 -0.501 0.683 -1.674 1.00 0.00 C ATOM 1488 CG TYR A 93 0.154 0.322 -2.987 1.00 0.00 C ATOM 1489 CD1 TYR A 93 1.513 0.533 -3.189 1.00 0.00 C ATOM 1490 CD2 TYR A 93 -0.585 -0.228 -4.027 1.00 0.00 C ATOM 1491 CE1 TYR A 93 2.116 0.205 -4.388 1.00 0.00 C ATOM 1492 CE2 TYR A 93 0.010 -0.559 -5.229 1.00 0.00 C ATOM 1493 CZ TYR A 93 1.361 -0.341 -5.405 1.00 0.00 C ATOM 1494 OH TYR A 93 1.957 -0.669 -6.601 1.00 0.00 O ATOM 0 H TYR A 93 -1.382 1.642 0.457 1.00 0.00 H new ATOM 0 HA TYR A 93 0.964 1.977 -0.777 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -0.269 -0.087 -0.938 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.583 0.682 -1.805 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.108 0.961 -2.395 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.643 -0.400 -3.893 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.173 0.375 -4.528 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -0.579 -0.986 -6.027 1.00 0.00 H new ATOM 0 HH TYR A 93 1.649 -0.054 -7.299 1.00 0.00 H new ATOM 1504 N LEU A 94 -1.291 3.181 -2.882 1.00 0.00 N ATOM 1505 CA LEU A 94 -1.491 4.145 -3.958 1.00 0.00 C ATOM 1506 C LEU A 94 -0.895 5.501 -3.593 1.00 0.00 C ATOM 1507 O LEU A 94 -0.423 6.236 -4.460 1.00 0.00 O ATOM 1508 CB LEU A 94 -2.982 4.297 -4.264 1.00 0.00 C ATOM 1509 CG LEU A 94 -3.738 3.004 -4.572 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -5.208 3.146 -4.207 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -3.585 2.634 -6.040 1.00 0.00 C ATOM 0 H LEU A 94 -2.102 2.595 -2.685 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.980 3.771 -4.846 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.460 4.780 -3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.091 4.970 -5.114 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.310 2.203 -3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.730 2.216 -4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.299 3.364 -3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.649 3.959 -4.783 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.129 1.711 -6.241 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.986 3.435 -6.661 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.529 2.490 -6.271 1.00 0.00 H new ATOM 1523 N GLU A 95 -0.918 5.824 -2.303 1.00 0.00 N ATOM 1524 CA GLU A 95 -0.379 7.091 -1.824 1.00 0.00 C ATOM 1525 C GLU A 95 1.144 7.038 -1.742 1.00 0.00 C ATOM 1526 O GLU A 95 1.825 8.040 -1.967 1.00 0.00 O ATOM 1527 CB GLU A 95 -0.963 7.433 -0.451 1.00 0.00 C ATOM 1528 CG GLU A 95 -0.696 8.864 -0.016 1.00 0.00 C ATOM 1529 CD GLU A 95 -1.112 9.124 1.419 1.00 0.00 C ATOM 1530 OE1 GLU A 95 -1.898 8.321 1.964 1.00 0.00 O ATOM 1531 OE2 GLU A 95 -0.651 10.131 1.996 1.00 0.00 O ATOM 0 H GLU A 95 -1.304 5.226 -1.572 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.661 7.868 -2.535 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.039 7.263 -0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.546 6.753 0.292 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.366 9.082 -0.128 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.232 9.546 -0.675 1.00 0.00 H new ATOM 1538 N LEU A 96 1.672 5.863 -1.419 1.00 0.00 N ATOM 1539 CA LEU A 96 3.115 5.677 -1.307 1.00 0.00 C ATOM 1540 C LEU A 96 3.774 5.688 -2.682 1.00 0.00 C ATOM 1541 O LEU A 96 4.885 6.194 -2.845 1.00 0.00 O ATOM 1542 CB LEU A 96 3.426 4.362 -0.590 1.00 0.00 C ATOM 1543 CG LEU A 96 2.713 4.141 0.745 1.00 0.00 C ATOM 1544 CD1 LEU A 96 3.048 2.768 1.308 1.00 0.00 C ATOM 1545 CD2 LEU A 96 3.088 5.232 1.737 1.00 0.00 C ATOM 0 H LEU A 96 1.123 5.024 -1.230 1.00 0.00 H new ATOM 0 HA LEU A 96 3.519 6.505 -0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.170 3.538 -1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.501 4.310 -0.418 1.00 0.00 H new ATOM 0 HG LEU A 96 1.638 4.188 0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.532 2.628 2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.729 1.999 0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.124 2.692 1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.571 5.059 2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.165 5.217 1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.797 6.203 1.337 1.00 0.00 H new ATOM 1557 N ILE A 97 3.082 5.128 -3.668 1.00 0.00 N ATOM 1558 CA ILE A 97 3.599 5.076 -5.030 1.00 0.00 C ATOM 1559 C ILE A 97 3.484 6.434 -5.714 1.00 0.00 C ATOM 1560 O ILE A 97 4.202 6.723 -6.670 1.00 0.00 O ATOM 1561 CB ILE A 97 2.855 4.025 -5.875 1.00 0.00 C ATOM 1562 CG1 ILE A 97 1.346 4.125 -5.642 1.00 0.00 C ATOM 1563 CG2 ILE A 97 3.356 2.627 -5.542 1.00 0.00 C ATOM 1564 CD1 ILE A 97 0.526 3.357 -6.654 1.00 0.00 C ATOM 0 H ILE A 97 2.162 4.704 -3.549 1.00 0.00 H new ATOM 0 HA ILE A 97 4.650 4.795 -4.958 1.00 0.00 H new ATOM 0 HB ILE A 97 3.054 4.221 -6.929 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.115 3.754 -4.643 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.051 5.174 -5.669 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.821 1.895 -6.147 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.423 2.563 -5.754 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.183 2.421 -4.486 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.534 3.473 -6.427 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.727 3.743 -7.653 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.793 2.301 -6.612 1.00 0.00 H new ATOM 1576 N GLY A 98 2.576 7.268 -5.215 1.00 0.00 N ATOM 1577 CA GLY A 98 2.385 8.587 -5.788 1.00 0.00 C ATOM 1578 C GLY A 98 1.109 8.686 -6.601 1.00 0.00 C ATOM 1579 O GLY A 98 0.536 9.767 -6.739 1.00 0.00 O ATOM 0 H GLY A 98 1.969 7.053 -4.424 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.361 9.327 -4.988 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.237 8.831 -6.423 1.00 0.00 H new ATOM 1583 N ALA A 99 0.665 7.557 -7.142 1.00 0.00 N ATOM 1584 CA ALA A 99 -0.551 7.522 -7.945 1.00 0.00 C ATOM 1585 C ALA A 99 -1.576 8.528 -7.434 1.00 0.00 C ATOM 1586 O ALA A 99 -2.205 9.240 -8.218 1.00 0.00 O ATOM 1587 CB ALA A 99 -1.141 6.119 -7.948 1.00 0.00 C ATOM 0 H ALA A 99 1.129 6.654 -7.039 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.290 7.797 -8.967 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.049 6.107 -8.551 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.417 5.421 -8.368 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.380 5.823 -6.927 1.00 0.00 H new ATOM 1593 N ILE A 100 -1.741 8.581 -6.117 1.00 0.00 N ATOM 1594 CA ILE A 100 -2.690 9.500 -5.502 1.00 0.00 C ATOM 1595 C ILE A 100 -2.011 10.368 -4.448 1.00 0.00 C ATOM 1596 O ILE A 100 -1.089 9.925 -3.764 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.864 8.746 -4.850 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -3.344 7.751 -3.810 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -4.687 8.030 -5.911 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -4.373 7.376 -2.766 1.00 0.00 C ATOM 0 H ILE A 100 -1.229 7.998 -5.455 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.075 10.135 -6.300 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.506 9.468 -4.345 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.009 6.847 -4.319 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.473 8.179 -3.313 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.513 7.501 -5.435 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.082 8.759 -6.618 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.056 7.316 -6.440 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.936 6.668 -2.062 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.691 8.271 -2.231 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.235 6.919 -3.252 1.00 0.00 H new ATOM 1612 N ASN A 101 -2.474 11.608 -4.322 1.00 0.00 N ATOM 1613 CA ASN A 101 -1.912 12.539 -3.350 1.00 0.00 C ATOM 1614 C ASN A 101 -0.391 12.592 -3.465 1.00 0.00 C ATOM 1615 O ASN A 101 0.323 12.429 -2.476 1.00 0.00 O ATOM 1616 CB ASN A 101 -2.313 12.131 -1.931 1.00 0.00 C ATOM 1617 CG ASN A 101 -3.758 11.679 -1.847 1.00 0.00 C ATOM 1618 OD1 ASN A 101 -4.625 12.200 -2.548 1.00 0.00 O ATOM 1619 ND2 ASN A 101 -4.023 10.704 -0.984 1.00 0.00 N ATOM 0 H ASN A 101 -3.237 11.991 -4.881 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.310 13.531 -3.562 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.663 11.326 -1.590 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -2.159 12.973 -1.256 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -4.977 10.358 -0.882 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -3.272 10.301 -0.423 1.00 0.00 H new ATOM 1626 N PHE A 102 0.097 12.823 -4.679 1.00 0.00 N ATOM 1627 CA PHE A 102 1.533 12.899 -4.924 1.00 0.00 C ATOM 1628 C PHE A 102 2.115 14.189 -4.354 1.00 0.00 C ATOM 1629 O PHE A 102 1.470 15.236 -4.374 1.00 0.00 O ATOM 1630 CB PHE A 102 1.820 12.816 -6.425 1.00 0.00 C ATOM 1631 CG PHE A 102 3.269 13.013 -6.769 1.00 0.00 C ATOM 1632 CD1 PHE A 102 4.200 12.024 -6.498 1.00 0.00 C ATOM 1633 CD2 PHE A 102 3.699 14.189 -7.363 1.00 0.00 C ATOM 1634 CE1 PHE A 102 5.534 12.203 -6.814 1.00 0.00 C ATOM 1635 CE2 PHE A 102 5.032 14.373 -7.681 1.00 0.00 C ATOM 1636 CZ PHE A 102 5.950 13.379 -7.406 1.00 0.00 C ATOM 0 H PHE A 102 -0.480 12.961 -5.509 1.00 0.00 H new ATOM 0 HA PHE A 102 2.007 12.055 -4.423 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.496 11.844 -6.796 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.226 13.569 -6.943 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.880 11.102 -6.035 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.985 14.970 -7.580 1.00 0.00 H new ATOM 0 HE1 PHE A 102 6.250 11.424 -6.598 1.00 0.00 H new ATOM 0 HE2 PHE A 102 5.355 15.294 -8.144 1.00 0.00 H new ATOM 0 HZ PHE A 102 6.992 13.521 -7.654 1.00 0.00 H new ATOM 1646 N GLY A 103 3.340 14.103 -3.844 1.00 0.00 N ATOM 1647 CA GLY A 103 3.989 15.270 -3.274 1.00 0.00 C ATOM 1648 C GLY A 103 3.025 16.151 -2.504 1.00 0.00 C ATOM 1649 O GLY A 103 2.512 17.135 -3.039 1.00 0.00 O ATOM 0 H GLY A 103 3.894 13.247 -3.815 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.791 14.948 -2.610 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.450 15.852 -4.072 1.00 0.00 H new ATOM 1653 N CYS A 104 2.778 15.799 -1.248 1.00 0.00 N ATOM 1654 CA CYS A 104 1.868 16.564 -0.404 1.00 0.00 C ATOM 1655 C CYS A 104 2.381 16.629 1.031 1.00 0.00 C ATOM 1656 O CYS A 104 2.832 15.627 1.584 1.00 0.00 O ATOM 1657 CB CYS A 104 0.470 15.942 -0.431 1.00 0.00 C ATOM 1658 SG CYS A 104 -0.433 16.224 -1.971 1.00 0.00 S ATOM 0 H CYS A 104 3.195 14.988 -0.791 1.00 0.00 H new ATOM 0 HA CYS A 104 1.814 17.579 -0.797 1.00 0.00 H new ATOM 0 HB2 CYS A 104 0.558 14.868 -0.266 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -0.112 16.345 0.398 1.00 0.00 H new ATOM 0 HG CYS A 104 0.296 15.842 -2.978 1.00 0.00 H new ATOM 1664 N GLU A 105 2.310 17.816 1.626 1.00 0.00 N ATOM 1665 CA GLU A 105 2.770 18.011 2.996 1.00 0.00 C ATOM 1666 C GLU A 105 1.944 17.178 3.972 1.00 0.00 C ATOM 1667 O GLU A 105 2.411 16.830 5.055 1.00 0.00 O ATOM 1668 CB GLU A 105 2.691 19.491 3.378 1.00 0.00 C ATOM 1669 CG GLU A 105 1.270 20.002 3.544 1.00 0.00 C ATOM 1670 CD GLU A 105 0.690 20.544 2.252 1.00 0.00 C ATOM 1671 OE1 GLU A 105 1.314 20.338 1.190 1.00 0.00 O ATOM 1672 OE2 GLU A 105 -0.386 21.175 2.302 1.00 0.00 O ATOM 0 H GLU A 105 1.939 18.656 1.181 1.00 0.00 H new ATOM 0 HA GLU A 105 3.808 17.683 3.053 1.00 0.00 H new ATOM 0 HB2 GLU A 105 3.235 19.647 4.310 1.00 0.00 H new ATOM 0 HB3 GLU A 105 3.194 20.082 2.613 1.00 0.00 H new ATOM 0 HG2 GLU A 105 0.638 19.193 3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 105 1.256 20.786 4.301 1.00 0.00 H new ATOM 1679 N GLN A 106 0.714 16.864 3.578 1.00 0.00 N ATOM 1680 CA GLN A 106 -0.178 16.073 4.418 1.00 0.00 C ATOM 1681 C GLN A 106 -0.285 14.642 3.902 1.00 0.00 C ATOM 1682 O GLN A 106 -1.376 14.166 3.587 1.00 0.00 O ATOM 1683 CB GLN A 106 -1.565 16.715 4.471 1.00 0.00 C ATOM 1684 CG GLN A 106 -2.145 17.023 3.100 1.00 0.00 C ATOM 1685 CD GLN A 106 -1.779 18.410 2.610 1.00 0.00 C ATOM 1686 OE1 GLN A 106 -1.498 19.308 3.404 1.00 0.00 O ATOM 1687 NE2 GLN A 106 -1.778 18.592 1.294 1.00 0.00 N ATOM 0 H GLN A 106 0.313 17.145 2.683 1.00 0.00 H new ATOM 0 HA GLN A 106 0.240 16.046 5.424 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.245 16.049 5.003 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -1.507 17.638 5.048 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -1.788 16.283 2.384 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.230 16.930 3.140 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -2.017 17.820 0.672 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -1.538 19.504 0.905 1.00 0.00 H new ATOM 1696 N ALA A 107 0.853 13.961 3.817 1.00 0.00 N ATOM 1697 CA ALA A 107 0.886 12.584 3.340 1.00 0.00 C ATOM 1698 C ALA A 107 1.158 11.614 4.484 1.00 0.00 C ATOM 1699 O ALA A 107 1.279 12.019 5.640 1.00 0.00 O ATOM 1700 CB ALA A 107 1.937 12.428 2.251 1.00 0.00 C ATOM 0 H ALA A 107 1.765 14.341 4.072 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.092 12.346 2.922 1.00 0.00 H new ATOM 0 HB1 ALA A 107 1.951 11.395 1.904 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.698 13.088 1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 107 2.917 12.690 2.651 1.00 0.00 H new ATOM 1706 N VAL A 108 1.252 10.329 4.155 1.00 0.00 N ATOM 1707 CA VAL A 108 1.510 9.300 5.155 1.00 0.00 C ATOM 1708 C VAL A 108 2.994 8.958 5.221 1.00 0.00 C ATOM 1709 O VAL A 108 3.447 8.294 6.153 1.00 0.00 O ATOM 1710 CB VAL A 108 0.710 8.017 4.859 1.00 0.00 C ATOM 1711 CG1 VAL A 108 1.178 7.385 3.558 1.00 0.00 C ATOM 1712 CG2 VAL A 108 0.835 7.035 6.014 1.00 0.00 C ATOM 0 H VAL A 108 1.153 9.976 3.203 1.00 0.00 H new ATOM 0 HA VAL A 108 1.191 9.704 6.116 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.342 8.281 4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.602 6.480 3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.033 8.089 2.739 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.235 7.132 3.636 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.264 6.134 5.789 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.883 6.774 6.158 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.447 7.492 6.924 1.00 0.00 H new ATOM 1722 N TYR A 109 3.745 9.415 4.226 1.00 0.00 N ATOM 1723 CA TYR A 109 5.179 9.156 4.170 1.00 0.00 C ATOM 1724 C TYR A 109 5.974 10.403 4.546 1.00 0.00 C ATOM 1725 O TYR A 109 6.971 10.324 5.263 1.00 0.00 O ATOM 1726 CB TYR A 109 5.579 8.686 2.770 1.00 0.00 C ATOM 1727 CG TYR A 109 4.994 9.528 1.659 1.00 0.00 C ATOM 1728 CD1 TYR A 109 5.632 10.686 1.229 1.00 0.00 C ATOM 1729 CD2 TYR A 109 3.805 9.167 1.039 1.00 0.00 C ATOM 1730 CE1 TYR A 109 5.101 11.459 0.215 1.00 0.00 C ATOM 1731 CE2 TYR A 109 3.268 9.933 0.022 1.00 0.00 C ATOM 1732 CZ TYR A 109 3.919 11.078 -0.386 1.00 0.00 C ATOM 1733 OH TYR A 109 3.387 11.845 -1.397 1.00 0.00 O ATOM 0 H TYR A 109 3.385 9.967 3.447 1.00 0.00 H new ATOM 0 HA TYR A 109 5.409 8.370 4.890 1.00 0.00 H new ATOM 0 HB2 TYR A 109 6.666 8.697 2.689 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.260 7.652 2.638 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.559 10.986 1.696 1.00 0.00 H new ATOM 0 HD2 TYR A 109 3.291 8.272 1.357 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.608 12.357 -0.106 1.00 0.00 H new ATOM 0 HE2 TYR A 109 2.343 9.636 -0.451 1.00 0.00 H new ATOM 0 HH TYR A 109 2.554 11.438 -1.713 1.00 0.00 H new ATOM 1743 N ASN A 110 5.523 11.554 4.057 1.00 0.00 N ATOM 1744 CA ASN A 110 6.191 12.819 4.342 1.00 0.00 C ATOM 1745 C ASN A 110 6.324 13.038 5.845 1.00 0.00 C ATOM 1746 O ASN A 110 7.341 13.541 6.322 1.00 0.00 O ATOM 1747 CB ASN A 110 5.418 13.980 3.712 1.00 0.00 C ATOM 1748 CG ASN A 110 5.863 14.267 2.291 1.00 0.00 C ATOM 1749 OD1 ASN A 110 6.454 13.414 1.629 1.00 0.00 O ATOM 1750 ND2 ASN A 110 5.579 15.474 1.815 1.00 0.00 N ATOM 0 H ASN A 110 4.699 11.637 3.462 1.00 0.00 H new ATOM 0 HA ASN A 110 7.191 12.779 3.910 1.00 0.00 H new ATOM 0 HB2 ASN A 110 4.353 13.749 3.717 1.00 0.00 H new ATOM 0 HB3 ASN A 110 5.553 14.875 4.320 1.00 0.00 H new ATOM 0 HD21 ASN A 110 5.853 15.725 0.865 1.00 0.00 H new ATOM 0 HD22 ASN A 110 5.087 16.150 2.399 1.00 0.00 H new ATOM 1757 N ARG A 111 5.289 12.655 6.587 1.00 0.00 N ATOM 1758 CA ARG A 111 5.290 12.810 8.037 1.00 0.00 C ATOM 1759 C ARG A 111 6.180 11.761 8.695 1.00 0.00 C ATOM 1760 O ARG A 111 6.091 10.573 8.384 1.00 0.00 O ATOM 1761 CB ARG A 111 3.865 12.701 8.584 1.00 0.00 C ATOM 1762 CG ARG A 111 3.174 11.396 8.226 1.00 0.00 C ATOM 1763 CD ARG A 111 1.812 11.286 8.894 1.00 0.00 C ATOM 1764 NE ARG A 111 1.311 9.914 8.892 1.00 0.00 N ATOM 1765 CZ ARG A 111 0.403 9.462 9.750 1.00 0.00 C ATOM 1766 NH1 ARG A 111 -0.101 10.269 10.673 1.00 0.00 N ATOM 1767 NH2 ARG A 111 -0.002 8.200 9.685 1.00 0.00 N ATOM 0 H ARG A 111 4.440 12.236 6.208 1.00 0.00 H new ATOM 0 HA ARG A 111 5.687 13.798 8.271 1.00 0.00 H new ATOM 0 HB2 ARG A 111 3.893 12.802 9.669 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.273 13.533 8.201 1.00 0.00 H new ATOM 0 HG2 ARG A 111 3.057 11.330 7.144 1.00 0.00 H new ATOM 0 HG3 ARG A 111 3.799 10.556 8.531 1.00 0.00 H new ATOM 0 HD2 ARG A 111 1.882 11.645 9.921 1.00 0.00 H new ATOM 0 HD3 ARG A 111 1.102 11.932 8.378 1.00 0.00 H new ATOM 0 HE ARG A 111 1.678 9.268 8.194 1.00 0.00 H new ATOM 0 HH11 ARG A 111 0.208 11.240 10.726 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -0.798 9.919 11.331 1.00 0.00 H new ATOM 0 HH21 ARG A 111 0.384 7.576 8.976 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -0.699 7.854 10.344 1.00 0.00 H new