USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 820 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 LYS NZ :NH3+ 155:sc= -0.0189 (180deg=-0.576) USER MOD Single : A 18 GLN : amide:sc= -0.612 X(o=-0.61,f=-0.52) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 32 LYS NZ :NH3+ -165:sc= 0.00747 (180deg=0.000668) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.0741 K(o=-0.074,f=-1.8!) USER MOD Single : A 45 LYS NZ :NH3+ 133:sc= -0.544! (180deg=-2.69!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0669 USER MOD Single : A 50 TYR OH : rot -15:sc= 0.175 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.19 K(o=-1.2,f=-5.3!) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.491 USER MOD Single : A 60 GLN : amide:sc= -0.419 X(o=-0.42,f=-0.5) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot -38:sc= 0.444 USER MOD Single : A 70 ASN : amide:sc= -0.664 X(o=-0.66,f=-0.93) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.398 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0675) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 CYS SG : rot 175:sc= -0.985 USER MOD Single : A 85 ASN : amide:sc= -0.302 K(o=-0.3,f=-2.7!) USER MOD Single : A 86 CYS SG : rot -22:sc= 0.624 USER MOD Single : A 91 HIS : no HD1:sc= -10.8! C(o=-11!,f=-10!) USER MOD Single : A 92 THR OG1 : rot 71:sc= 1.11 USER MOD Single : A 93 TYR OH : rot 47:sc= 0.554 USER MOD Single : A 101 ASN : amide:sc= -4.16! C(o=-4.2!,f=-12!) USER MOD Single : A 104 CYS SG : rot 24:sc= 0.62 USER MOD Single : A 106 GLN : amide:sc= -0.279 X(o=-0.28,f=-0.58) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -0.418 X(o=-0.42,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 143 N LEU A 13 8.794 1.991 4.820 1.00 0.00 N ATOM 144 CA LEU A 13 8.071 3.097 4.201 1.00 0.00 C ATOM 145 C LEU A 13 9.024 4.012 3.439 1.00 0.00 C ATOM 146 O LEU A 13 10.186 4.167 3.814 1.00 0.00 O ATOM 147 CB LEU A 13 7.317 3.897 5.264 1.00 0.00 C ATOM 148 CG LEU A 13 8.114 4.997 5.967 1.00 0.00 C ATOM 149 CD1 LEU A 13 7.987 6.312 5.213 1.00 0.00 C ATOM 150 CD2 LEU A 13 7.646 5.159 7.406 1.00 0.00 C ATOM 0 HA LEU A 13 7.355 2.680 3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.443 4.351 4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.949 3.203 6.020 1.00 0.00 H new ATOM 0 HG LEU A 13 9.165 4.707 5.978 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.560 7.083 5.727 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.371 6.189 4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.939 6.607 5.170 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.224 5.946 7.890 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.589 5.426 7.417 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.789 4.221 7.943 1.00 0.00 H new ATOM 162 N LYS A 14 8.523 4.620 2.369 1.00 0.00 N ATOM 163 CA LYS A 14 9.328 5.523 1.555 1.00 0.00 C ATOM 164 C LYS A 14 8.445 6.350 0.626 1.00 0.00 C ATOM 165 O LYS A 14 7.537 5.836 -0.028 1.00 0.00 O ATOM 166 CB LYS A 14 10.349 4.732 0.735 1.00 0.00 C ATOM 167 CG LYS A 14 11.313 5.609 -0.045 1.00 0.00 C ATOM 168 CD LYS A 14 11.790 4.921 -1.314 1.00 0.00 C ATOM 169 CE LYS A 14 12.916 3.939 -1.026 1.00 0.00 C ATOM 170 NZ LYS A 14 12.398 2.624 -0.557 1.00 0.00 N ATOM 0 H LYS A 14 7.563 4.504 2.045 1.00 0.00 H new ATOM 0 HA LYS A 14 9.857 6.201 2.225 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.918 4.087 1.404 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.819 4.082 0.039 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.825 6.549 -0.301 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.171 5.855 0.581 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.957 4.394 -1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.132 5.670 -2.028 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.511 3.794 -1.928 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.580 4.359 -0.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.093 1.881 -0.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.235 2.661 0.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.503 2.410 -1.042 1.00 0.00 H new ATOM 184 N PRO A 15 8.716 7.663 0.563 1.00 0.00 N ATOM 185 CA PRO A 15 7.959 8.588 -0.285 1.00 0.00 C ATOM 186 C PRO A 15 8.223 8.362 -1.770 1.00 0.00 C ATOM 187 O PRO A 15 9.303 7.928 -2.174 1.00 0.00 O ATOM 188 CB PRO A 15 8.471 9.964 0.146 1.00 0.00 C ATOM 189 CG PRO A 15 9.836 9.709 0.686 1.00 0.00 C ATOM 190 CD PRO A 15 9.784 8.344 1.315 1.00 0.00 C ATOM 0 HA PRO A 15 6.883 8.462 -0.166 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.501 10.656 -0.695 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.823 10.409 0.902 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.583 9.745 -0.107 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.113 10.466 1.419 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.736 7.822 1.222 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.554 8.400 2.379 1.00 0.00 H new ATOM 198 N PRO A 16 7.217 8.663 -2.604 1.00 0.00 N ATOM 199 CA PRO A 16 7.318 8.502 -4.057 1.00 0.00 C ATOM 200 C PRO A 16 8.272 9.511 -4.687 1.00 0.00 C ATOM 201 O PRO A 16 8.390 10.643 -4.219 1.00 0.00 O ATOM 202 CB PRO A 16 5.886 8.745 -4.541 1.00 0.00 C ATOM 203 CG PRO A 16 5.272 9.604 -3.491 1.00 0.00 C ATOM 204 CD PRO A 16 5.903 9.185 -2.192 1.00 0.00 C ATOM 0 HA PRO A 16 7.716 7.525 -4.332 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.875 9.239 -5.513 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.342 7.807 -4.654 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.457 10.659 -3.692 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.191 9.470 -3.461 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.002 10.025 -1.504 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.310 8.425 -1.684 1.00 0.00 H new ATOM 212 N GLU A 17 8.950 9.093 -5.752 1.00 0.00 N ATOM 213 CA GLU A 17 9.893 9.962 -6.445 1.00 0.00 C ATOM 214 C GLU A 17 9.172 10.858 -7.448 1.00 0.00 C ATOM 215 O GLU A 17 9.443 12.055 -7.532 1.00 0.00 O ATOM 216 CB GLU A 17 10.956 9.127 -7.163 1.00 0.00 C ATOM 217 CG GLU A 17 11.947 8.463 -6.221 1.00 0.00 C ATOM 218 CD GLU A 17 13.198 7.985 -6.932 1.00 0.00 C ATOM 219 OE1 GLU A 17 13.982 8.842 -7.391 1.00 0.00 O ATOM 220 OE2 GLU A 17 13.392 6.756 -7.030 1.00 0.00 O ATOM 0 H GLU A 17 8.863 8.159 -6.153 1.00 0.00 H new ATOM 0 HA GLU A 17 10.378 10.595 -5.702 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.462 8.359 -7.758 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.500 9.767 -7.858 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.226 9.168 -5.438 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.466 7.616 -5.732 1.00 0.00 H new ATOM 227 N GLN A 18 8.255 10.268 -8.207 1.00 0.00 N ATOM 228 CA GLN A 18 7.496 11.012 -9.205 1.00 0.00 C ATOM 229 C GLN A 18 6.167 10.325 -9.503 1.00 0.00 C ATOM 230 O GLN A 18 6.078 9.098 -9.495 1.00 0.00 O ATOM 231 CB GLN A 18 8.309 11.156 -10.492 1.00 0.00 C ATOM 232 CG GLN A 18 8.488 9.849 -11.248 1.00 0.00 C ATOM 233 CD GLN A 18 9.505 8.932 -10.596 1.00 0.00 C ATOM 234 OE1 GLN A 18 10.711 9.167 -10.675 1.00 0.00 O ATOM 235 NE2 GLN A 18 9.022 7.880 -9.945 1.00 0.00 N ATOM 0 H GLN A 18 8.019 9.277 -8.150 1.00 0.00 H new ATOM 0 HA GLN A 18 7.289 12.003 -8.802 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.817 11.879 -11.143 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.291 11.563 -10.248 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.529 9.335 -11.310 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.801 10.065 -12.270 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.015 7.724 -9.905 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.658 7.229 -9.485 1.00 0.00 H new ATOM 244 N GLU A 19 5.138 11.125 -9.766 1.00 0.00 N ATOM 245 CA GLU A 19 3.814 10.592 -10.065 1.00 0.00 C ATOM 246 C GLU A 19 3.902 9.456 -11.080 1.00 0.00 C ATOM 247 O GLU A 19 4.502 9.605 -12.145 1.00 0.00 O ATOM 248 CB GLU A 19 2.904 11.699 -10.600 1.00 0.00 C ATOM 249 CG GLU A 19 1.540 11.201 -11.050 1.00 0.00 C ATOM 250 CD GLU A 19 0.643 12.321 -11.540 1.00 0.00 C ATOM 251 OE1 GLU A 19 0.999 12.971 -12.545 1.00 0.00 O ATOM 252 OE2 GLU A 19 -0.416 12.547 -10.918 1.00 0.00 O ATOM 0 H GLU A 19 5.196 12.143 -9.778 1.00 0.00 H new ATOM 0 HA GLU A 19 3.391 10.199 -9.141 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.769 12.453 -9.825 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.397 12.190 -11.439 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.669 10.469 -11.847 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.053 10.687 -10.221 1.00 0.00 H new ATOM 259 N ILE A 20 3.300 8.320 -10.741 1.00 0.00 N ATOM 260 CA ILE A 20 3.309 7.159 -11.622 1.00 0.00 C ATOM 261 C ILE A 20 1.990 7.031 -12.377 1.00 0.00 C ATOM 262 O ILE A 20 1.114 7.888 -12.264 1.00 0.00 O ATOM 263 CB ILE A 20 3.568 5.859 -10.838 1.00 0.00 C ATOM 264 CG1 ILE A 20 2.496 5.665 -9.763 1.00 0.00 C ATOM 265 CG2 ILE A 20 4.954 5.885 -10.213 1.00 0.00 C ATOM 266 CD1 ILE A 20 2.208 4.213 -9.453 1.00 0.00 C ATOM 0 H ILE A 20 2.800 8.180 -9.863 1.00 0.00 H new ATOM 0 HA ILE A 20 4.119 7.311 -12.335 1.00 0.00 H new ATOM 0 HB ILE A 20 3.519 5.018 -11.530 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.814 6.167 -8.849 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.575 6.148 -10.088 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.122 4.960 -9.662 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.705 5.982 -10.997 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.030 6.732 -9.531 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.439 4.151 -8.683 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.859 3.711 -10.355 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.118 3.730 -9.097 1.00 0.00 H new ATOM 278 N GLU A 21 1.856 5.954 -13.144 1.00 0.00 N ATOM 279 CA GLU A 21 0.643 5.713 -13.917 1.00 0.00 C ATOM 280 C GLU A 21 -0.020 4.405 -13.495 1.00 0.00 C ATOM 281 O GLU A 21 0.615 3.350 -13.485 1.00 0.00 O ATOM 282 CB GLU A 21 0.962 5.677 -15.412 1.00 0.00 C ATOM 283 CG GLU A 21 1.744 4.445 -15.838 1.00 0.00 C ATOM 284 CD GLU A 21 2.510 4.658 -17.129 1.00 0.00 C ATOM 285 OE1 GLU A 21 1.866 4.921 -18.165 1.00 0.00 O ATOM 286 OE2 GLU A 21 3.755 4.561 -17.102 1.00 0.00 O ATOM 0 H GLU A 21 2.572 5.235 -13.247 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.050 6.531 -13.721 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.030 5.718 -15.975 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.532 6.568 -15.675 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.442 4.171 -15.047 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.057 3.608 -15.961 1.00 0.00 H new ATOM 293 N ILE A 22 -1.300 4.483 -13.146 1.00 0.00 N ATOM 294 CA ILE A 22 -2.049 3.306 -12.724 1.00 0.00 C ATOM 295 C ILE A 22 -3.246 3.060 -13.636 1.00 0.00 C ATOM 296 O ILE A 22 -3.938 3.996 -14.035 1.00 0.00 O ATOM 297 CB ILE A 22 -2.545 3.445 -11.272 1.00 0.00 C ATOM 298 CG1 ILE A 22 -1.357 3.553 -10.314 1.00 0.00 C ATOM 299 CG2 ILE A 22 -3.428 2.264 -10.899 1.00 0.00 C ATOM 300 CD1 ILE A 22 -0.579 2.265 -10.167 1.00 0.00 C ATOM 0 H ILE A 22 -1.840 5.349 -13.147 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.366 2.458 -12.787 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.138 4.356 -11.191 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.685 4.335 -10.668 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.719 3.863 -9.334 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.771 2.376 -9.870 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.289 2.228 -11.566 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.858 1.340 -10.992 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.248 2.417 -9.473 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.236 1.485 -9.783 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.187 1.964 -11.138 1.00 0.00 H new ATOM 312 N ASP A 23 -3.485 1.794 -13.961 1.00 0.00 N ATOM 313 CA ASP A 23 -4.600 1.423 -14.824 1.00 0.00 C ATOM 314 C ASP A 23 -5.755 0.855 -14.005 1.00 0.00 C ATOM 315 O ASP A 23 -5.602 -0.151 -13.313 1.00 0.00 O ATOM 316 CB ASP A 23 -4.147 0.401 -15.868 1.00 0.00 C ATOM 317 CG ASP A 23 -3.367 1.038 -17.001 1.00 0.00 C ATOM 318 OD1 ASP A 23 -4.001 1.485 -17.980 1.00 0.00 O ATOM 319 OD2 ASP A 23 -2.122 1.088 -16.910 1.00 0.00 O ATOM 0 H ASP A 23 -2.921 1.007 -13.639 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.947 2.321 -15.334 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.529 -0.357 -15.386 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.020 -0.110 -16.274 1.00 0.00 H new ATOM 324 N ARG A 24 -6.910 1.507 -14.089 1.00 0.00 N ATOM 325 CA ARG A 24 -8.090 1.068 -13.355 1.00 0.00 C ATOM 326 C ARG A 24 -8.697 -0.178 -13.994 1.00 0.00 C ATOM 327 O ARG A 24 -9.653 -0.751 -13.474 1.00 0.00 O ATOM 328 CB ARG A 24 -9.132 2.187 -13.305 1.00 0.00 C ATOM 329 CG ARG A 24 -8.697 3.389 -12.482 1.00 0.00 C ATOM 330 CD ARG A 24 -7.839 4.342 -13.299 1.00 0.00 C ATOM 331 NE ARG A 24 -7.765 5.669 -12.692 1.00 0.00 N ATOM 332 CZ ARG A 24 -6.772 6.523 -12.911 1.00 0.00 C ATOM 333 NH1 ARG A 24 -5.775 6.192 -13.719 1.00 0.00 N ATOM 334 NH2 ARG A 24 -6.776 7.712 -12.322 1.00 0.00 N ATOM 0 H ARG A 24 -7.053 2.341 -14.658 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.783 0.821 -12.339 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.351 2.514 -14.322 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.059 1.790 -12.891 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.577 3.916 -12.112 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.138 3.051 -11.610 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.834 3.932 -13.397 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.248 4.426 -14.306 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.517 5.955 -12.066 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.769 5.279 -14.174 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.014 6.850 -13.885 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.542 7.971 -11.700 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.013 8.367 -12.491 1.00 0.00 H new ATOM 348 N ASN A 25 -8.133 -0.590 -15.125 1.00 0.00 N ATOM 349 CA ASN A 25 -8.619 -1.767 -15.835 1.00 0.00 C ATOM 350 C ASN A 25 -7.520 -2.818 -15.961 1.00 0.00 C ATOM 351 O ASN A 25 -7.763 -3.932 -16.428 1.00 0.00 O ATOM 352 CB ASN A 25 -9.127 -1.376 -17.224 1.00 0.00 C ATOM 353 CG ASN A 25 -10.404 -0.560 -17.164 1.00 0.00 C ATOM 354 OD1 ASN A 25 -11.506 -1.103 -17.246 1.00 0.00 O ATOM 355 ND2 ASN A 25 -10.261 0.752 -17.020 1.00 0.00 N ATOM 0 H ASN A 25 -7.340 -0.127 -15.569 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.442 -2.193 -15.261 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.357 -0.804 -17.742 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.302 -2.278 -17.811 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.084 1.353 -16.973 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.328 1.159 -16.956 1.00 0.00 H new ATOM 362 N ILE A 26 -6.312 -2.457 -15.542 1.00 0.00 N ATOM 363 CA ILE A 26 -5.177 -3.369 -15.606 1.00 0.00 C ATOM 364 C ILE A 26 -4.426 -3.405 -14.280 1.00 0.00 C ATOM 365 O ILE A 26 -4.107 -2.363 -13.707 1.00 0.00 O ATOM 366 CB ILE A 26 -4.199 -2.973 -16.727 1.00 0.00 C ATOM 367 CG1 ILE A 26 -4.924 -2.925 -18.074 1.00 0.00 C ATOM 368 CG2 ILE A 26 -3.033 -3.948 -16.782 1.00 0.00 C ATOM 369 CD1 ILE A 26 -5.655 -1.624 -18.321 1.00 0.00 C ATOM 0 H ILE A 26 -6.094 -1.539 -15.154 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.579 -4.359 -15.820 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.807 -1.979 -16.511 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.200 -3.083 -18.873 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.637 -3.748 -18.123 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.351 -3.654 -17.580 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.504 -3.937 -15.829 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.408 -4.953 -16.977 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.145 -1.661 -19.294 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.403 -1.474 -17.543 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.944 -0.798 -18.305 1.00 0.00 H new ATOM 381 N ILE A 27 -4.144 -4.611 -13.798 1.00 0.00 N ATOM 382 CA ILE A 27 -3.427 -4.783 -12.541 1.00 0.00 C ATOM 383 C ILE A 27 -2.006 -5.283 -12.782 1.00 0.00 C ATOM 384 O ILE A 27 -1.774 -6.485 -12.909 1.00 0.00 O ATOM 385 CB ILE A 27 -4.154 -5.769 -11.608 1.00 0.00 C ATOM 386 CG1 ILE A 27 -5.609 -5.339 -11.410 1.00 0.00 C ATOM 387 CG2 ILE A 27 -3.436 -5.860 -10.270 1.00 0.00 C ATOM 388 CD1 ILE A 27 -6.391 -6.255 -10.494 1.00 0.00 C ATOM 0 H ILE A 27 -4.401 -5.483 -14.259 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.389 -3.804 -12.063 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.146 -6.756 -12.070 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.628 -4.328 -11.002 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.103 -5.301 -12.381 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.962 -6.561 -9.622 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.415 -6.208 -10.428 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.416 -4.877 -9.800 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.413 -5.889 -10.400 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.403 -7.262 -10.910 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.921 -6.274 -9.511 1.00 0.00 H new ATOM 400 N GLN A 28 -1.060 -4.352 -12.843 1.00 0.00 N ATOM 401 CA GLN A 28 0.339 -4.698 -13.068 1.00 0.00 C ATOM 402 C GLN A 28 0.995 -5.177 -11.778 1.00 0.00 C ATOM 403 O GLN A 28 0.578 -4.803 -10.683 1.00 0.00 O ATOM 404 CB GLN A 28 1.101 -3.495 -13.626 1.00 0.00 C ATOM 405 CG GLN A 28 0.386 -2.801 -14.774 1.00 0.00 C ATOM 406 CD GLN A 28 0.692 -1.317 -14.840 1.00 0.00 C ATOM 407 OE1 GLN A 28 1.843 -0.902 -14.706 1.00 0.00 O ATOM 408 NE2 GLN A 28 -0.341 -0.509 -15.049 1.00 0.00 N ATOM 0 H GLN A 28 -1.236 -3.353 -12.740 1.00 0.00 H new ATOM 0 HA GLN A 28 0.374 -5.509 -13.795 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.266 -2.776 -12.824 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.083 -3.823 -13.966 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.676 -3.270 -15.714 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.689 -2.942 -14.666 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.279 -0.897 -15.154 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.197 0.499 -15.104 1.00 0.00 H new ATOM 417 N GLU A 29 2.024 -6.008 -11.916 1.00 0.00 N ATOM 418 CA GLU A 29 2.737 -6.539 -10.760 1.00 0.00 C ATOM 419 C GLU A 29 3.070 -5.427 -9.769 1.00 0.00 C ATOM 420 O GLU A 29 3.162 -5.663 -8.564 1.00 0.00 O ATOM 421 CB GLU A 29 4.020 -7.243 -11.203 1.00 0.00 C ATOM 422 CG GLU A 29 4.928 -6.373 -12.056 1.00 0.00 C ATOM 423 CD GLU A 29 6.175 -7.105 -12.515 1.00 0.00 C ATOM 424 OE1 GLU A 29 6.151 -8.353 -12.551 1.00 0.00 O ATOM 425 OE2 GLU A 29 7.174 -6.429 -12.837 1.00 0.00 O ATOM 0 H GLU A 29 2.382 -6.328 -12.816 1.00 0.00 H new ATOM 0 HA GLU A 29 2.088 -7.261 -10.265 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.569 -7.570 -10.320 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.757 -8.139 -11.765 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.375 -6.023 -12.928 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.218 -5.490 -11.487 1.00 0.00 H new ATOM 432 N GLU A 30 3.250 -4.216 -10.286 1.00 0.00 N ATOM 433 CA GLU A 30 3.575 -3.068 -9.446 1.00 0.00 C ATOM 434 C GLU A 30 2.601 -2.957 -8.276 1.00 0.00 C ATOM 435 O GLU A 30 2.980 -2.553 -7.178 1.00 0.00 O ATOM 436 CB GLU A 30 3.547 -1.780 -10.272 1.00 0.00 C ATOM 437 CG GLU A 30 4.881 -1.440 -10.914 1.00 0.00 C ATOM 438 CD GLU A 30 6.037 -1.517 -9.936 1.00 0.00 C ATOM 439 OE1 GLU A 30 6.236 -0.547 -9.175 1.00 0.00 O ATOM 440 OE2 GLU A 30 6.741 -2.548 -9.931 1.00 0.00 O ATOM 0 H GLU A 30 3.177 -4.004 -11.281 1.00 0.00 H new ATOM 0 HA GLU A 30 4.579 -3.214 -9.048 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.792 -1.875 -11.052 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.241 -0.954 -9.631 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.065 -2.123 -11.743 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.832 -0.435 -11.334 1.00 0.00 H new ATOM 447 N GLU A 31 1.346 -3.318 -8.523 1.00 0.00 N ATOM 448 CA GLU A 31 0.318 -3.258 -7.491 1.00 0.00 C ATOM 449 C GLU A 31 0.216 -4.585 -6.745 1.00 0.00 C ATOM 450 O GLU A 31 0.079 -4.615 -5.522 1.00 0.00 O ATOM 451 CB GLU A 31 -1.036 -2.902 -8.108 1.00 0.00 C ATOM 452 CG GLU A 31 -1.053 -1.550 -8.801 1.00 0.00 C ATOM 453 CD GLU A 31 -0.257 -1.546 -10.092 1.00 0.00 C ATOM 454 OE1 GLU A 31 -0.742 -2.119 -11.090 1.00 0.00 O ATOM 455 OE2 GLU A 31 0.850 -0.969 -10.104 1.00 0.00 O ATOM 0 H GLU A 31 1.017 -3.655 -9.428 1.00 0.00 H new ATOM 0 HA GLU A 31 0.600 -2.482 -6.779 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.312 -3.673 -8.827 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.795 -2.909 -7.326 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.084 -1.268 -9.013 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.648 -0.795 -8.127 1.00 0.00 H new ATOM 462 N LYS A 32 0.283 -5.683 -7.491 1.00 0.00 N ATOM 463 CA LYS A 32 0.200 -7.014 -6.904 1.00 0.00 C ATOM 464 C LYS A 32 1.230 -7.184 -5.792 1.00 0.00 C ATOM 465 O LYS A 32 0.967 -7.843 -4.786 1.00 0.00 O ATOM 466 CB LYS A 32 0.413 -8.083 -7.979 1.00 0.00 C ATOM 467 CG LYS A 32 -0.706 -8.146 -9.004 1.00 0.00 C ATOM 468 CD LYS A 32 -0.432 -9.201 -10.063 1.00 0.00 C ATOM 469 CE LYS A 32 -1.659 -9.456 -10.925 1.00 0.00 C ATOM 470 NZ LYS A 32 -2.521 -10.532 -10.360 1.00 0.00 N ATOM 0 H LYS A 32 0.395 -5.676 -8.505 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.795 -7.132 -6.475 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.354 -7.887 -8.493 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.509 -9.056 -7.498 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.648 -8.368 -8.503 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.820 -7.172 -9.480 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.397 -8.879 -10.694 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.124 -10.130 -9.582 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.238 -8.537 -11.014 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.345 -9.733 -11.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.196 -10.852 -11.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.927 -11.332 -10.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.043 -10.164 -9.539 1.00 0.00 H new ATOM 484 N GLN A 33 2.401 -6.584 -5.979 1.00 0.00 N ATOM 485 CA GLN A 33 3.469 -6.669 -4.991 1.00 0.00 C ATOM 486 C GLN A 33 3.131 -5.847 -3.751 1.00 0.00 C ATOM 487 O GLN A 33 3.748 -6.010 -2.699 1.00 0.00 O ATOM 488 CB GLN A 33 4.790 -6.186 -5.593 1.00 0.00 C ATOM 489 CG GLN A 33 5.494 -7.236 -6.436 1.00 0.00 C ATOM 490 CD GLN A 33 6.990 -7.006 -6.525 1.00 0.00 C ATOM 491 OE1 GLN A 33 7.764 -7.574 -5.754 1.00 0.00 O ATOM 492 NE2 GLN A 33 7.406 -6.168 -7.468 1.00 0.00 N ATOM 0 H GLN A 33 2.634 -6.034 -6.806 1.00 0.00 H new ATOM 0 HA GLN A 33 3.573 -7.713 -4.695 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.599 -5.306 -6.208 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.454 -5.874 -4.787 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.307 -8.222 -6.012 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.070 -7.235 -7.440 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.730 -5.719 -8.086 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.402 -5.974 -7.574 1.00 0.00 H new ATOM 501 N ALA A 34 2.146 -4.964 -3.884 1.00 0.00 N ATOM 502 CA ALA A 34 1.725 -4.118 -2.774 1.00 0.00 C ATOM 503 C ALA A 34 0.367 -4.556 -2.236 1.00 0.00 C ATOM 504 O ALA A 34 -0.005 -4.215 -1.112 1.00 0.00 O ATOM 505 CB ALA A 34 1.678 -2.661 -3.210 1.00 0.00 C ATOM 0 H ALA A 34 1.625 -4.816 -4.749 1.00 0.00 H new ATOM 0 HA ALA A 34 2.455 -4.222 -1.971 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.362 -2.040 -2.372 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.668 -2.348 -3.540 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.970 -2.550 -4.031 1.00 0.00 H new ATOM 511 N ILE A 35 -0.370 -5.310 -3.044 1.00 0.00 N ATOM 512 CA ILE A 35 -1.687 -5.794 -2.647 1.00 0.00 C ATOM 513 C ILE A 35 -1.838 -7.282 -2.943 1.00 0.00 C ATOM 514 O ILE A 35 -2.810 -7.723 -3.556 1.00 0.00 O ATOM 515 CB ILE A 35 -2.810 -5.023 -3.366 1.00 0.00 C ATOM 516 CG1 ILE A 35 -2.439 -3.544 -3.498 1.00 0.00 C ATOM 517 CG2 ILE A 35 -4.124 -5.180 -2.616 1.00 0.00 C ATOM 518 CD1 ILE A 35 -2.577 -2.769 -2.206 1.00 0.00 C ATOM 0 H ILE A 35 -0.078 -5.599 -3.978 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.773 -5.629 -1.573 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.933 -5.438 -4.366 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.411 -3.466 -3.851 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.073 -3.085 -4.257 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.908 -4.630 -3.136 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.392 -6.235 -2.569 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.015 -4.788 -1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.298 -1.729 -2.374 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.610 -2.816 -1.862 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.923 -3.203 -1.450 1.00 0.00 H new ATOM 530 N PRO A 36 -0.854 -8.077 -2.496 1.00 0.00 N ATOM 531 CA PRO A 36 -0.856 -9.529 -2.698 1.00 0.00 C ATOM 532 C PRO A 36 -1.929 -10.228 -1.872 1.00 0.00 C ATOM 533 O PRO A 36 -2.267 -11.383 -2.128 1.00 0.00 O ATOM 534 CB PRO A 36 0.539 -9.954 -2.232 1.00 0.00 C ATOM 535 CG PRO A 36 0.953 -8.899 -1.264 1.00 0.00 C ATOM 536 CD PRO A 36 0.335 -7.619 -1.757 1.00 0.00 C ATOM 0 HA PRO A 36 -1.075 -9.796 -3.732 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.517 -10.937 -1.761 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.234 -10.018 -3.069 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.609 -9.136 -0.257 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.039 -8.816 -1.218 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.066 -6.959 -0.932 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.019 -7.064 -2.400 1.00 0.00 H new ATOM 544 N GLU A 37 -2.462 -9.520 -0.881 1.00 0.00 N ATOM 545 CA GLU A 37 -3.498 -10.075 -0.017 1.00 0.00 C ATOM 546 C GLU A 37 -4.732 -10.462 -0.827 1.00 0.00 C ATOM 547 O GLU A 37 -5.371 -11.479 -0.559 1.00 0.00 O ATOM 548 CB GLU A 37 -3.882 -9.067 1.068 1.00 0.00 C ATOM 549 CG GLU A 37 -4.723 -7.911 0.555 1.00 0.00 C ATOM 550 CD GLU A 37 -4.742 -6.734 1.511 1.00 0.00 C ATOM 551 OE1 GLU A 37 -4.745 -6.968 2.738 1.00 0.00 O ATOM 552 OE2 GLU A 37 -4.756 -5.580 1.034 1.00 0.00 O ATOM 0 H GLU A 37 -2.194 -8.562 -0.657 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.099 -10.972 0.456 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.432 -9.584 1.854 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.974 -8.671 1.522 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.335 -7.584 -0.410 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.744 -8.255 0.388 1.00 0.00 H new ATOM 559 N PHE A 38 -5.062 -9.641 -1.819 1.00 0.00 N ATOM 560 CA PHE A 38 -6.220 -9.896 -2.668 1.00 0.00 C ATOM 561 C PHE A 38 -5.894 -10.935 -3.736 1.00 0.00 C ATOM 562 O PHE A 38 -6.788 -11.579 -4.285 1.00 0.00 O ATOM 563 CB PHE A 38 -6.689 -8.598 -3.329 1.00 0.00 C ATOM 564 CG PHE A 38 -7.442 -7.690 -2.400 1.00 0.00 C ATOM 565 CD1 PHE A 38 -6.766 -6.802 -1.579 1.00 0.00 C ATOM 566 CD2 PHE A 38 -8.826 -7.723 -2.348 1.00 0.00 C ATOM 567 CE1 PHE A 38 -7.457 -5.965 -0.722 1.00 0.00 C ATOM 568 CE2 PHE A 38 -9.523 -6.889 -1.493 1.00 0.00 C ATOM 569 CZ PHE A 38 -8.837 -6.008 -0.680 1.00 0.00 C ATOM 0 H PHE A 38 -4.544 -8.794 -2.054 1.00 0.00 H new ATOM 0 HA PHE A 38 -7.021 -10.286 -2.040 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.822 -8.066 -3.721 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.325 -8.842 -4.180 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.687 -6.763 -1.609 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -9.367 -8.409 -2.983 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.918 -5.278 -0.086 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -10.602 -6.926 -1.461 1.00 0.00 H new ATOM 0 HZ PHE A 38 -9.379 -5.354 -0.013 1.00 0.00 H new ATOM 579 N PHE A 39 -4.607 -11.092 -4.027 1.00 0.00 N ATOM 580 CA PHE A 39 -4.161 -12.052 -5.030 1.00 0.00 C ATOM 581 C PHE A 39 -3.533 -13.276 -4.371 1.00 0.00 C ATOM 582 O PHE A 39 -2.804 -14.032 -5.012 1.00 0.00 O ATOM 583 CB PHE A 39 -3.156 -11.398 -5.981 1.00 0.00 C ATOM 584 CG PHE A 39 -3.563 -10.024 -6.431 1.00 0.00 C ATOM 585 CD1 PHE A 39 -4.593 -9.856 -7.342 1.00 0.00 C ATOM 586 CD2 PHE A 39 -2.914 -8.901 -5.944 1.00 0.00 C ATOM 587 CE1 PHE A 39 -4.970 -8.593 -7.759 1.00 0.00 C ATOM 588 CE2 PHE A 39 -3.287 -7.635 -6.356 1.00 0.00 C ATOM 589 CZ PHE A 39 -4.315 -7.481 -7.266 1.00 0.00 C ATOM 0 H PHE A 39 -3.854 -10.567 -3.582 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.032 -12.376 -5.599 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.186 -11.337 -5.487 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.028 -12.035 -6.856 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.108 -10.722 -7.731 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.108 -9.016 -5.235 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.775 -8.476 -8.469 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.775 -6.767 -5.967 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.606 -6.493 -7.591 1.00 0.00 H new ATOM 599 N GLU A 40 -3.822 -13.463 -3.087 1.00 0.00 N ATOM 600 CA GLU A 40 -3.285 -14.595 -2.341 1.00 0.00 C ATOM 601 C GLU A 40 -3.759 -15.916 -2.939 1.00 0.00 C ATOM 602 O GLU A 40 -3.277 -16.986 -2.570 1.00 0.00 O ATOM 603 CB GLU A 40 -3.702 -14.509 -0.871 1.00 0.00 C ATOM 604 CG GLU A 40 -5.203 -14.615 -0.657 1.00 0.00 C ATOM 605 CD GLU A 40 -5.571 -14.834 0.797 1.00 0.00 C ATOM 606 OE1 GLU A 40 -4.817 -15.539 1.501 1.00 0.00 O ATOM 607 OE2 GLU A 40 -6.613 -14.300 1.232 1.00 0.00 O ATOM 0 H GLU A 40 -4.424 -12.846 -2.542 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.198 -14.557 -2.406 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.207 -15.305 -0.314 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.350 -13.564 -0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.683 -13.704 -1.016 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.594 -15.438 -1.255 1.00 0.00 H new ATOM 614 N GLY A 41 -4.708 -15.832 -3.867 1.00 0.00 N ATOM 615 CA GLY A 41 -5.232 -17.027 -4.502 1.00 0.00 C ATOM 616 C GLY A 41 -6.241 -17.751 -3.632 1.00 0.00 C ATOM 617 O GLY A 41 -6.433 -18.959 -3.767 1.00 0.00 O ATOM 0 H GLY A 41 -5.123 -14.958 -4.190 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.701 -16.756 -5.448 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.408 -17.701 -4.736 1.00 0.00 H new ATOM 621 N ARG A 42 -6.886 -17.011 -2.736 1.00 0.00 N ATOM 622 CA ARG A 42 -7.878 -17.590 -1.839 1.00 0.00 C ATOM 623 C ARG A 42 -9.284 -17.439 -2.413 1.00 0.00 C ATOM 624 O ARG A 42 -9.470 -16.850 -3.477 1.00 0.00 O ATOM 625 CB ARG A 42 -7.803 -16.924 -0.463 1.00 0.00 C ATOM 626 CG ARG A 42 -6.802 -17.577 0.476 1.00 0.00 C ATOM 627 CD ARG A 42 -7.134 -17.289 1.931 1.00 0.00 C ATOM 628 NE ARG A 42 -8.052 -18.277 2.490 1.00 0.00 N ATOM 629 CZ ARG A 42 -8.717 -18.102 3.626 1.00 0.00 C ATOM 630 NH1 ARG A 42 -8.567 -16.983 4.321 1.00 0.00 N ATOM 631 NH2 ARG A 42 -9.535 -19.048 4.070 1.00 0.00 N ATOM 0 H ARG A 42 -6.739 -16.009 -2.612 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.659 -18.653 -1.733 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.537 -15.875 -0.591 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.791 -16.949 -0.002 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.795 -18.654 0.310 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.799 -17.213 0.251 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.215 -17.276 2.517 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.577 -16.296 2.012 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.190 -19.149 1.980 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.939 -16.253 3.983 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.079 -16.852 5.193 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.653 -19.911 3.539 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.045 -18.913 4.943 1.00 0.00 H new ATOM 645 N GLN A 43 -10.269 -17.977 -1.700 1.00 0.00 N ATOM 646 CA GLN A 43 -11.657 -17.903 -2.140 1.00 0.00 C ATOM 647 C GLN A 43 -12.309 -16.606 -1.672 1.00 0.00 C ATOM 648 O GLN A 43 -12.903 -15.877 -2.465 1.00 0.00 O ATOM 649 CB GLN A 43 -12.446 -19.103 -1.612 1.00 0.00 C ATOM 650 CG GLN A 43 -12.469 -19.196 -0.095 1.00 0.00 C ATOM 651 CD GLN A 43 -12.825 -20.584 0.399 1.00 0.00 C ATOM 652 OE1 GLN A 43 -12.682 -21.569 -0.326 1.00 0.00 O ATOM 653 NE2 GLN A 43 -13.291 -20.670 1.639 1.00 0.00 N ATOM 0 H GLN A 43 -10.131 -18.468 -0.817 1.00 0.00 H new ATOM 0 HA GLN A 43 -11.667 -17.921 -3.230 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.470 -19.044 -1.980 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.014 -20.018 -2.017 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.492 -18.914 0.297 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -13.189 -18.479 0.298 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -13.393 -19.828 2.205 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -13.547 -21.579 2.026 1.00 0.00 H new ATOM 662 N ALA A 44 -12.192 -16.324 -0.378 1.00 0.00 N ATOM 663 CA ALA A 44 -12.768 -15.114 0.195 1.00 0.00 C ATOM 664 C ALA A 44 -12.190 -13.866 -0.463 1.00 0.00 C ATOM 665 O ALA A 44 -12.928 -12.975 -0.883 1.00 0.00 O ATOM 666 CB ALA A 44 -12.532 -15.079 1.698 1.00 0.00 C ATOM 0 H ALA A 44 -11.704 -16.917 0.293 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.842 -15.127 0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -12.967 -14.170 2.114 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -12.999 -15.949 2.160 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -11.461 -15.093 1.899 1.00 0.00 H new ATOM 672 N LYS A 45 -10.865 -13.808 -0.548 1.00 0.00 N ATOM 673 CA LYS A 45 -10.187 -12.669 -1.156 1.00 0.00 C ATOM 674 C LYS A 45 -10.130 -12.815 -2.673 1.00 0.00 C ATOM 675 O LYS A 45 -9.680 -13.837 -3.193 1.00 0.00 O ATOM 676 CB LYS A 45 -8.771 -12.533 -0.592 1.00 0.00 C ATOM 677 CG LYS A 45 -8.732 -12.047 0.846 1.00 0.00 C ATOM 678 CD LYS A 45 -8.635 -10.532 0.920 1.00 0.00 C ATOM 679 CE LYS A 45 -10.011 -9.887 0.983 1.00 0.00 C ATOM 680 NZ LYS A 45 -10.532 -9.559 -0.372 1.00 0.00 N ATOM 0 H LYS A 45 -10.240 -14.536 -0.204 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.755 -11.770 -0.917 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.270 -13.499 -0.654 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.206 -11.841 -1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.628 -12.381 1.368 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.880 -12.493 1.359 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.058 -10.246 1.799 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.096 -10.158 0.049 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.705 -10.560 1.486 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.959 -8.978 1.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.517 -9.884 -0.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.493 -8.530 -0.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.950 -10.034 -1.092 1.00 0.00 H new ATOM 694 N THR A 46 -10.589 -11.787 -3.380 1.00 0.00 N ATOM 695 CA THR A 46 -10.591 -11.801 -4.837 1.00 0.00 C ATOM 696 C THR A 46 -10.018 -10.505 -5.400 1.00 0.00 C ATOM 697 O THR A 46 -10.119 -9.439 -4.793 1.00 0.00 O ATOM 698 CB THR A 46 -12.011 -12.007 -5.396 1.00 0.00 C ATOM 699 OG1 THR A 46 -12.810 -10.845 -5.143 1.00 0.00 O ATOM 700 CG2 THR A 46 -12.668 -13.227 -4.768 1.00 0.00 C ATOM 0 H THR A 46 -10.964 -10.934 -2.966 1.00 0.00 H new ATOM 0 HA THR A 46 -9.963 -12.637 -5.145 1.00 0.00 H new ATOM 0 HB THR A 46 -11.935 -12.168 -6.471 1.00 0.00 H new ATOM 0 HG1 THR A 46 -13.711 -10.983 -5.503 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.670 -13.352 -5.178 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.073 -14.114 -4.987 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.732 -13.090 -3.689 1.00 0.00 H new ATOM 708 N PRO A 47 -9.403 -10.596 -6.588 1.00 0.00 N ATOM 709 CA PRO A 47 -8.803 -9.439 -7.260 1.00 0.00 C ATOM 710 C PRO A 47 -9.852 -8.456 -7.768 1.00 0.00 C ATOM 711 O PRO A 47 -9.628 -7.246 -7.779 1.00 0.00 O ATOM 712 CB PRO A 47 -8.043 -10.064 -8.433 1.00 0.00 C ATOM 713 CG PRO A 47 -8.751 -11.347 -8.702 1.00 0.00 C ATOM 714 CD PRO A 47 -9.246 -11.835 -7.368 1.00 0.00 C ATOM 0 HA PRO A 47 -8.172 -8.859 -6.587 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.058 -9.413 -9.307 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.996 -10.235 -8.181 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.579 -11.198 -9.395 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.080 -12.074 -9.159 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.189 -12.373 -7.462 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.535 -12.517 -6.901 1.00 0.00 H new ATOM 722 N GLU A 48 -10.997 -8.984 -8.188 1.00 0.00 N ATOM 723 CA GLU A 48 -12.080 -8.151 -8.698 1.00 0.00 C ATOM 724 C GLU A 48 -12.557 -7.168 -7.634 1.00 0.00 C ATOM 725 O GLU A 48 -12.993 -6.060 -7.948 1.00 0.00 O ATOM 726 CB GLU A 48 -13.249 -9.023 -9.163 1.00 0.00 C ATOM 727 CG GLU A 48 -13.145 -9.456 -10.616 1.00 0.00 C ATOM 728 CD GLU A 48 -14.372 -10.211 -11.089 1.00 0.00 C ATOM 729 OE1 GLU A 48 -14.481 -11.417 -10.782 1.00 0.00 O ATOM 730 OE2 GLU A 48 -15.223 -9.596 -11.764 1.00 0.00 O ATOM 0 H GLU A 48 -11.199 -9.984 -8.185 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.699 -7.584 -9.547 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.304 -9.910 -8.531 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -14.180 -8.473 -9.022 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.000 -8.577 -11.244 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.265 -10.086 -10.741 1.00 0.00 H new ATOM 737 N ARG A 49 -12.472 -7.581 -6.374 1.00 0.00 N ATOM 738 CA ARG A 49 -12.896 -6.738 -5.262 1.00 0.00 C ATOM 739 C ARG A 49 -11.928 -5.576 -5.060 1.00 0.00 C ATOM 740 O ARG A 49 -12.340 -4.420 -4.965 1.00 0.00 O ATOM 741 CB ARG A 49 -12.996 -7.563 -3.978 1.00 0.00 C ATOM 742 CG ARG A 49 -13.986 -7.003 -2.970 1.00 0.00 C ATOM 743 CD ARG A 49 -13.912 -7.745 -1.644 1.00 0.00 C ATOM 744 NE ARG A 49 -14.340 -9.136 -1.772 1.00 0.00 N ATOM 745 CZ ARG A 49 -14.582 -9.928 -0.733 1.00 0.00 C ATOM 746 NH1 ARG A 49 -14.440 -9.469 0.502 1.00 0.00 N ATOM 747 NH2 ARG A 49 -14.969 -11.182 -0.930 1.00 0.00 N ATOM 0 H ARG A 49 -12.113 -8.495 -6.097 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.879 -6.331 -5.501 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.287 -8.582 -4.233 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.011 -7.619 -3.515 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.782 -5.945 -2.808 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -14.996 -7.075 -3.372 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.890 -7.713 -1.267 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.538 -7.239 -0.910 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.459 -9.520 -2.709 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.144 -8.505 0.657 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.627 -10.079 1.298 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.081 -11.538 -1.879 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.155 -11.790 -0.132 1.00 0.00 H new ATOM 761 N TYR A 50 -10.639 -5.892 -4.996 1.00 0.00 N ATOM 762 CA TYR A 50 -9.612 -4.876 -4.802 1.00 0.00 C ATOM 763 C TYR A 50 -9.781 -3.733 -5.799 1.00 0.00 C ATOM 764 O TYR A 50 -9.635 -2.561 -5.449 1.00 0.00 O ATOM 765 CB TYR A 50 -8.220 -5.493 -4.948 1.00 0.00 C ATOM 766 CG TYR A 50 -7.135 -4.479 -5.234 1.00 0.00 C ATOM 767 CD1 TYR A 50 -6.487 -3.816 -4.199 1.00 0.00 C ATOM 768 CD2 TYR A 50 -6.757 -4.186 -6.538 1.00 0.00 C ATOM 769 CE1 TYR A 50 -5.496 -2.888 -4.456 1.00 0.00 C ATOM 770 CE2 TYR A 50 -5.766 -3.261 -6.804 1.00 0.00 C ATOM 771 CZ TYR A 50 -5.139 -2.615 -5.760 1.00 0.00 C ATOM 772 OH TYR A 50 -4.151 -1.693 -6.019 1.00 0.00 O ATOM 0 H TYR A 50 -10.281 -6.844 -5.076 1.00 0.00 H new ATOM 0 HA TYR A 50 -9.720 -4.474 -3.794 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.972 -6.030 -4.032 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.240 -6.228 -5.753 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.762 -4.030 -3.177 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -7.246 -4.690 -7.358 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.004 -2.379 -3.640 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.484 -3.045 -7.824 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.981 -1.161 -5.214 1.00 0.00 H new ATOM 782 N LEU A 51 -10.090 -4.084 -7.043 1.00 0.00 N ATOM 783 CA LEU A 51 -10.280 -3.089 -8.093 1.00 0.00 C ATOM 784 C LEU A 51 -11.325 -2.057 -7.682 1.00 0.00 C ATOM 785 O LEU A 51 -11.069 -0.853 -7.709 1.00 0.00 O ATOM 786 CB LEU A 51 -10.703 -3.769 -9.396 1.00 0.00 C ATOM 787 CG LEU A 51 -9.569 -4.192 -10.331 1.00 0.00 C ATOM 788 CD1 LEU A 51 -10.082 -5.158 -11.387 1.00 0.00 C ATOM 789 CD2 LEU A 51 -8.932 -2.974 -10.983 1.00 0.00 C ATOM 0 H LEU A 51 -10.214 -5.049 -7.349 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.331 -2.576 -8.250 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.291 -4.653 -9.147 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.361 -3.091 -9.939 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.808 -4.702 -9.741 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.262 -5.448 -12.044 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.490 -6.045 -10.902 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.863 -4.674 -11.974 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.127 -3.295 -11.645 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.684 -2.435 -11.560 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.528 -2.318 -10.212 1.00 0.00 H new ATOM 801 N LYS A 52 -12.504 -2.536 -7.299 1.00 0.00 N ATOM 802 CA LYS A 52 -13.588 -1.657 -6.879 1.00 0.00 C ATOM 803 C LYS A 52 -13.067 -0.546 -5.972 1.00 0.00 C ATOM 804 O LYS A 52 -13.249 0.638 -6.258 1.00 0.00 O ATOM 805 CB LYS A 52 -14.670 -2.458 -6.151 1.00 0.00 C ATOM 806 CG LYS A 52 -16.040 -1.804 -6.188 1.00 0.00 C ATOM 807 CD LYS A 52 -16.839 -2.253 -7.400 1.00 0.00 C ATOM 808 CE LYS A 52 -17.800 -1.170 -7.866 1.00 0.00 C ATOM 809 NZ LYS A 52 -18.271 -1.409 -9.259 1.00 0.00 N ATOM 0 H LYS A 52 -12.733 -3.530 -7.271 1.00 0.00 H new ATOM 0 HA LYS A 52 -14.019 -1.203 -7.771 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.738 -3.450 -6.598 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.371 -2.596 -5.112 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.587 -2.051 -5.278 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.926 -0.720 -6.207 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.158 -2.510 -8.211 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -17.398 -3.156 -7.155 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -18.657 -1.132 -7.194 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -17.308 -0.199 -7.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -18.924 -0.650 -9.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -17.455 -1.421 -9.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -18.763 -2.324 -9.307 1.00 0.00 H new ATOM 823 N ILE A 53 -12.418 -0.935 -4.880 1.00 0.00 N ATOM 824 CA ILE A 53 -11.869 0.028 -3.934 1.00 0.00 C ATOM 825 C ILE A 53 -10.824 0.918 -4.600 1.00 0.00 C ATOM 826 O ILE A 53 -10.877 2.143 -4.490 1.00 0.00 O ATOM 827 CB ILE A 53 -11.232 -0.674 -2.721 1.00 0.00 C ATOM 828 CG1 ILE A 53 -12.259 -1.567 -2.023 1.00 0.00 C ATOM 829 CG2 ILE A 53 -10.667 0.352 -1.751 1.00 0.00 C ATOM 830 CD1 ILE A 53 -11.638 -2.643 -1.159 1.00 0.00 C ATOM 0 H ILE A 53 -12.259 -1.911 -4.628 1.00 0.00 H new ATOM 0 HA ILE A 53 -12.701 0.643 -3.591 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.413 -1.301 -3.072 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.908 -0.946 -1.405 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.891 -2.037 -2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -10.220 -0.160 -0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -9.907 0.949 -2.255 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.468 1.004 -1.403 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.426 -3.237 -0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.012 -3.288 -1.775 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -11.029 -2.180 -0.383 1.00 0.00 H new ATOM 842 N ARG A 54 -9.877 0.293 -5.290 1.00 0.00 N ATOM 843 CA ARG A 54 -8.819 1.027 -5.975 1.00 0.00 C ATOM 844 C ARG A 54 -9.405 2.115 -6.870 1.00 0.00 C ATOM 845 O ARG A 54 -9.282 3.304 -6.581 1.00 0.00 O ATOM 846 CB ARG A 54 -7.962 0.072 -6.807 1.00 0.00 C ATOM 847 CG ARG A 54 -6.882 0.772 -7.616 1.00 0.00 C ATOM 848 CD ARG A 54 -6.581 0.026 -8.907 1.00 0.00 C ATOM 849 NE ARG A 54 -5.524 -0.966 -8.732 1.00 0.00 N ATOM 850 CZ ARG A 54 -4.943 -1.607 -9.740 1.00 0.00 C ATOM 851 NH1 ARG A 54 -5.314 -1.360 -10.988 1.00 0.00 N ATOM 852 NH2 ARG A 54 -3.987 -2.496 -9.500 1.00 0.00 N ATOM 0 H ARG A 54 -9.820 -0.720 -5.390 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.192 1.501 -5.220 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.494 -0.655 -6.143 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.608 -0.486 -7.485 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.201 1.788 -7.848 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.973 0.851 -7.020 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.486 -0.468 -9.260 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.285 0.739 -9.677 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.215 -1.178 -7.784 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.047 -0.676 -11.176 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.866 -1.854 -11.760 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.698 -2.688 -8.541 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.542 -2.988 -10.275 1.00 0.00 H new ATOM 866 N ASN A 55 -10.042 1.697 -7.960 1.00 0.00 N ATOM 867 CA ASN A 55 -10.646 2.636 -8.899 1.00 0.00 C ATOM 868 C ASN A 55 -11.431 3.715 -8.160 1.00 0.00 C ATOM 869 O ASN A 55 -11.348 4.897 -8.495 1.00 0.00 O ATOM 870 CB ASN A 55 -11.566 1.896 -9.871 1.00 0.00 C ATOM 871 CG ASN A 55 -10.832 0.835 -10.668 1.00 0.00 C ATOM 872 OD1 ASN A 55 -9.701 0.471 -10.344 1.00 0.00 O ATOM 873 ND2 ASN A 55 -11.472 0.334 -11.718 1.00 0.00 N ATOM 0 H ASN A 55 -10.153 0.715 -8.214 1.00 0.00 H new ATOM 0 HA ASN A 55 -9.845 3.115 -9.461 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -12.379 1.430 -9.314 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -12.018 2.613 -10.556 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.027 -0.382 -12.293 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -12.409 0.665 -11.950 1.00 0.00 H new ATOM 880 N TYR A 56 -12.192 3.301 -7.153 1.00 0.00 N ATOM 881 CA TYR A 56 -12.994 4.231 -6.367 1.00 0.00 C ATOM 882 C TYR A 56 -12.119 5.317 -5.749 1.00 0.00 C ATOM 883 O TYR A 56 -12.418 6.506 -5.855 1.00 0.00 O ATOM 884 CB TYR A 56 -13.752 3.483 -5.269 1.00 0.00 C ATOM 885 CG TYR A 56 -14.801 4.323 -4.578 1.00 0.00 C ATOM 886 CD1 TYR A 56 -14.476 5.114 -3.482 1.00 0.00 C ATOM 887 CD2 TYR A 56 -16.119 4.325 -5.019 1.00 0.00 C ATOM 888 CE1 TYR A 56 -15.432 5.882 -2.847 1.00 0.00 C ATOM 889 CE2 TYR A 56 -17.081 5.092 -4.390 1.00 0.00 C ATOM 890 CZ TYR A 56 -16.733 5.868 -3.305 1.00 0.00 C ATOM 891 OH TYR A 56 -17.689 6.632 -2.675 1.00 0.00 O ATOM 0 H TYR A 56 -12.270 2.327 -6.862 1.00 0.00 H new ATOM 0 HA TYR A 56 -13.713 4.706 -7.035 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -14.230 2.605 -5.703 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -13.039 3.124 -4.527 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -13.458 5.128 -3.121 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -16.396 3.717 -5.867 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -15.162 6.490 -1.996 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -18.100 5.084 -4.747 1.00 0.00 H new ATOM 0 HH TYR A 56 -18.552 6.509 -3.122 1.00 0.00 H new ATOM 901 N ILE A 57 -11.036 4.897 -5.102 1.00 0.00 N ATOM 902 CA ILE A 57 -10.116 5.833 -4.468 1.00 0.00 C ATOM 903 C ILE A 57 -9.477 6.758 -5.497 1.00 0.00 C ATOM 904 O ILE A 57 -9.561 7.982 -5.385 1.00 0.00 O ATOM 905 CB ILE A 57 -9.005 5.094 -3.697 1.00 0.00 C ATOM 906 CG1 ILE A 57 -9.604 4.293 -2.539 1.00 0.00 C ATOM 907 CG2 ILE A 57 -7.969 6.083 -3.185 1.00 0.00 C ATOM 908 CD1 ILE A 57 -8.646 3.285 -1.943 1.00 0.00 C ATOM 0 H ILE A 57 -10.775 3.916 -5.003 1.00 0.00 H new ATOM 0 HA ILE A 57 -10.702 6.426 -3.766 1.00 0.00 H new ATOM 0 HB ILE A 57 -8.511 4.399 -4.376 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -9.925 4.983 -1.758 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -10.495 3.772 -2.890 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.191 5.546 -2.642 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.525 6.613 -4.027 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.448 6.799 -2.518 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.137 2.754 -1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.344 2.572 -2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.766 3.802 -1.561 1.00 0.00 H new ATOM 920 N LEU A 58 -8.838 6.167 -6.500 1.00 0.00 N ATOM 921 CA LEU A 58 -8.185 6.938 -7.552 1.00 0.00 C ATOM 922 C LEU A 58 -9.147 7.955 -8.159 1.00 0.00 C ATOM 923 O LEU A 58 -8.736 9.031 -8.593 1.00 0.00 O ATOM 924 CB LEU A 58 -7.657 6.005 -8.643 1.00 0.00 C ATOM 925 CG LEU A 58 -6.243 5.461 -8.434 1.00 0.00 C ATOM 926 CD1 LEU A 58 -5.940 4.362 -9.441 1.00 0.00 C ATOM 927 CD2 LEU A 58 -5.219 6.582 -8.541 1.00 0.00 C ATOM 0 H LEU A 58 -8.758 5.156 -6.607 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.348 7.477 -7.107 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.340 5.160 -8.733 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.683 6.538 -9.593 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.182 5.035 -7.433 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.930 3.987 -9.277 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.654 3.548 -9.317 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.019 4.763 -10.452 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.219 6.177 -8.390 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.280 7.038 -9.529 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.424 7.336 -7.781 1.00 0.00 H new ATOM 939 N ASP A 59 -10.429 7.607 -8.184 1.00 0.00 N ATOM 940 CA ASP A 59 -11.450 8.491 -8.734 1.00 0.00 C ATOM 941 C ASP A 59 -11.684 9.688 -7.818 1.00 0.00 C ATOM 942 O ASP A 59 -11.575 10.837 -8.244 1.00 0.00 O ATOM 943 CB ASP A 59 -12.759 7.727 -8.939 1.00 0.00 C ATOM 944 CG ASP A 59 -12.821 7.035 -10.287 1.00 0.00 C ATOM 945 OD1 ASP A 59 -11.818 6.400 -10.675 1.00 0.00 O ATOM 946 OD2 ASP A 59 -13.872 7.130 -10.954 1.00 0.00 O ATOM 0 H ASP A 59 -10.786 6.719 -7.830 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.097 8.858 -9.698 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.871 6.986 -8.148 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.597 8.418 -8.850 1.00 0.00 H new ATOM 951 N GLN A 60 -12.006 9.409 -6.559 1.00 0.00 N ATOM 952 CA GLN A 60 -12.257 10.464 -5.584 1.00 0.00 C ATOM 953 C GLN A 60 -11.076 11.425 -5.505 1.00 0.00 C ATOM 954 O GLN A 60 -11.256 12.638 -5.403 1.00 0.00 O ATOM 955 CB GLN A 60 -12.530 9.858 -4.206 1.00 0.00 C ATOM 956 CG GLN A 60 -13.740 8.940 -4.173 1.00 0.00 C ATOM 957 CD GLN A 60 -14.993 9.606 -4.706 1.00 0.00 C ATOM 958 OE1 GLN A 60 -15.277 10.762 -4.391 1.00 0.00 O ATOM 959 NE2 GLN A 60 -15.751 8.879 -5.519 1.00 0.00 N ATOM 0 H GLN A 60 -12.099 8.462 -6.190 1.00 0.00 H new ATOM 0 HA GLN A 60 -13.135 11.023 -5.908 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.652 9.299 -3.884 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -12.676 10.664 -3.487 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.530 8.047 -4.761 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -13.915 8.613 -3.148 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.478 7.925 -5.754 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.606 9.275 -5.909 1.00 0.00 H new ATOM 968 N TRP A 61 -9.868 10.875 -5.553 1.00 0.00 N ATOM 969 CA TRP A 61 -8.656 11.684 -5.487 1.00 0.00 C ATOM 970 C TRP A 61 -8.722 12.844 -6.475 1.00 0.00 C ATOM 971 O TRP A 61 -8.511 13.998 -6.104 1.00 0.00 O ATOM 972 CB TRP A 61 -7.426 10.822 -5.775 1.00 0.00 C ATOM 973 CG TRP A 61 -6.302 11.584 -6.409 1.00 0.00 C ATOM 974 CD1 TRP A 61 -5.707 11.320 -7.610 1.00 0.00 C ATOM 975 CD2 TRP A 61 -5.636 12.733 -5.873 1.00 0.00 C ATOM 976 NE1 TRP A 61 -4.712 12.236 -7.853 1.00 0.00 N ATOM 977 CE2 TRP A 61 -4.649 13.114 -6.803 1.00 0.00 C ATOM 978 CE3 TRP A 61 -5.779 13.478 -4.700 1.00 0.00 C ATOM 979 CZ2 TRP A 61 -3.811 14.206 -6.593 1.00 0.00 C ATOM 980 CZ3 TRP A 61 -4.946 14.561 -4.492 1.00 0.00 C ATOM 981 CH2 TRP A 61 -3.973 14.917 -5.435 1.00 0.00 C ATOM 0 H TRP A 61 -9.702 9.872 -5.637 1.00 0.00 H new ATOM 0 HA TRP A 61 -8.576 12.093 -4.480 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -7.075 10.379 -4.843 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -7.713 10.000 -6.430 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.979 10.510 -8.271 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -4.117 12.259 -8.681 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.528 13.212 -3.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.060 14.482 -7.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.047 15.143 -3.588 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.338 15.770 -5.244 1.00 0.00 H new ATOM 992 N GLU A 62 -9.016 12.529 -7.732 1.00 0.00 N ATOM 993 CA GLU A 62 -9.108 13.547 -8.772 1.00 0.00 C ATOM 994 C GLU A 62 -10.376 14.381 -8.607 1.00 0.00 C ATOM 995 O GLU A 62 -10.420 15.547 -9.000 1.00 0.00 O ATOM 996 CB GLU A 62 -9.090 12.896 -10.157 1.00 0.00 C ATOM 997 CG GLU A 62 -8.248 11.633 -10.225 1.00 0.00 C ATOM 998 CD GLU A 62 -7.735 11.349 -11.623 1.00 0.00 C ATOM 999 OE1 GLU A 62 -8.555 10.998 -12.497 1.00 0.00 O ATOM 1000 OE2 GLU A 62 -6.512 11.479 -11.844 1.00 0.00 O ATOM 0 H GLU A 62 -9.194 11.578 -8.055 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.245 14.206 -8.676 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.112 12.657 -10.450 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.710 13.615 -10.882 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.402 11.727 -9.544 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.842 10.786 -9.881 1.00 0.00 H new ATOM 1007 N ILE A 63 -11.404 13.774 -8.023 1.00 0.00 N ATOM 1008 CA ILE A 63 -12.671 14.460 -7.805 1.00 0.00 C ATOM 1009 C ILE A 63 -12.501 15.640 -6.854 1.00 0.00 C ATOM 1010 O ILE A 63 -13.325 16.555 -6.831 1.00 0.00 O ATOM 1011 CB ILE A 63 -13.737 13.505 -7.234 1.00 0.00 C ATOM 1012 CG1 ILE A 63 -14.222 12.541 -8.319 1.00 0.00 C ATOM 1013 CG2 ILE A 63 -14.903 14.295 -6.661 1.00 0.00 C ATOM 1014 CD1 ILE A 63 -15.118 11.441 -7.793 1.00 0.00 C ATOM 0 H ILE A 63 -11.384 12.809 -7.693 1.00 0.00 H new ATOM 0 HA ILE A 63 -13.004 14.825 -8.777 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.288 12.922 -6.430 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -14.761 13.105 -9.080 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.357 12.092 -8.808 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.648 13.606 -6.262 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -14.545 14.945 -5.863 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -15.354 14.901 -7.447 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -15.424 10.796 -8.617 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -14.576 10.853 -7.053 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -16.001 11.881 -7.330 1.00 0.00 H new ATOM 1026 N CYS A 64 -11.428 15.613 -6.072 1.00 0.00 N ATOM 1027 CA CYS A 64 -11.148 16.682 -5.120 1.00 0.00 C ATOM 1028 C CYS A 64 -9.849 17.399 -5.473 1.00 0.00 C ATOM 1029 O CYS A 64 -9.708 18.600 -5.243 1.00 0.00 O ATOM 1030 CB CYS A 64 -11.064 16.119 -3.700 1.00 0.00 C ATOM 1031 SG CYS A 64 -12.650 16.062 -2.834 1.00 0.00 S ATOM 0 H CYS A 64 -10.737 14.862 -6.078 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.964 17.403 -5.170 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -10.650 15.112 -3.744 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.367 16.725 -3.121 1.00 0.00 H new ATOM 0 HG CYS A 64 -12.477 15.569 -1.643 1.00 0.00 H new ATOM 1037 N LYS A 65 -8.902 16.655 -6.032 1.00 0.00 N ATOM 1038 CA LYS A 65 -7.613 17.218 -6.418 1.00 0.00 C ATOM 1039 C LYS A 65 -7.776 18.642 -6.938 1.00 0.00 C ATOM 1040 O LYS A 65 -8.836 19.033 -7.427 1.00 0.00 O ATOM 1041 CB LYS A 65 -6.951 16.346 -7.487 1.00 0.00 C ATOM 1042 CG LYS A 65 -7.285 16.766 -8.907 1.00 0.00 C ATOM 1043 CD LYS A 65 -6.577 15.892 -9.929 1.00 0.00 C ATOM 1044 CE LYS A 65 -5.185 16.419 -10.242 1.00 0.00 C ATOM 1045 NZ LYS A 65 -5.216 17.486 -11.280 1.00 0.00 N ATOM 0 H LYS A 65 -9.002 15.659 -6.228 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.976 17.243 -5.534 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.870 16.379 -7.352 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.259 15.311 -7.341 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.362 16.707 -9.061 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.998 17.807 -9.056 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.505 14.873 -9.550 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.166 15.851 -10.845 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.732 16.811 -9.331 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.554 15.598 -10.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.248 17.819 -11.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.625 17.105 -12.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.797 18.281 -10.944 1.00 0.00 H new ATOM 1059 N PRO A 66 -6.702 19.438 -6.833 1.00 0.00 N ATOM 1060 CA PRO A 66 -5.434 18.985 -6.252 1.00 0.00 C ATOM 1061 C PRO A 66 -5.535 18.757 -4.748 1.00 0.00 C ATOM 1062 O PRO A 66 -4.584 18.300 -4.113 1.00 0.00 O ATOM 1063 CB PRO A 66 -4.473 20.137 -6.555 1.00 0.00 C ATOM 1064 CG PRO A 66 -5.347 21.336 -6.686 1.00 0.00 C ATOM 1065 CD PRO A 66 -6.641 20.843 -7.272 1.00 0.00 C ATOM 0 HA PRO A 66 -5.116 18.027 -6.664 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.744 20.265 -5.755 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.912 19.954 -7.472 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.512 21.807 -5.717 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.887 22.086 -7.330 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.492 21.416 -6.905 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.647 20.925 -8.359 1.00 0.00 H new ATOM 1073 N LYS A 67 -6.693 19.079 -4.181 1.00 0.00 N ATOM 1074 CA LYS A 67 -6.920 18.908 -2.751 1.00 0.00 C ATOM 1075 C LYS A 67 -6.506 17.512 -2.298 1.00 0.00 C ATOM 1076 O LYS A 67 -6.654 16.539 -3.037 1.00 0.00 O ATOM 1077 CB LYS A 67 -8.393 19.149 -2.415 1.00 0.00 C ATOM 1078 CG LYS A 67 -8.767 20.619 -2.342 1.00 0.00 C ATOM 1079 CD LYS A 67 -8.473 21.335 -3.649 1.00 0.00 C ATOM 1080 CE LYS A 67 -8.735 22.829 -3.537 1.00 0.00 C ATOM 1081 NZ LYS A 67 -8.802 23.482 -4.874 1.00 0.00 N ATOM 0 H LYS A 67 -7.490 19.460 -4.691 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.309 19.639 -2.221 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.013 18.662 -3.167 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.621 18.677 -1.459 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.826 20.714 -2.104 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.215 21.096 -1.533 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.434 21.167 -3.931 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.091 20.915 -4.442 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.672 22.995 -3.005 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.946 23.293 -2.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.982 24.499 -4.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.899 23.346 -5.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.572 23.057 -5.430 1.00 0.00 H new ATOM 1095 N TYR A 68 -5.987 17.420 -1.078 1.00 0.00 N ATOM 1096 CA TYR A 68 -5.551 16.143 -0.527 1.00 0.00 C ATOM 1097 C TYR A 68 -6.744 15.235 -0.244 1.00 0.00 C ATOM 1098 O TYR A 68 -7.834 15.707 0.083 1.00 0.00 O ATOM 1099 CB TYR A 68 -4.750 16.365 0.757 1.00 0.00 C ATOM 1100 CG TYR A 68 -4.269 15.083 1.400 1.00 0.00 C ATOM 1101 CD1 TYR A 68 -3.111 14.455 0.961 1.00 0.00 C ATOM 1102 CD2 TYR A 68 -4.973 14.502 2.447 1.00 0.00 C ATOM 1103 CE1 TYR A 68 -2.668 13.283 1.545 1.00 0.00 C ATOM 1104 CE2 TYR A 68 -4.537 13.332 3.038 1.00 0.00 C ATOM 1105 CZ TYR A 68 -3.385 12.726 2.583 1.00 0.00 C ATOM 1106 OH TYR A 68 -2.947 11.560 3.168 1.00 0.00 O ATOM 0 H TYR A 68 -5.858 18.215 -0.452 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.914 15.656 -1.266 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.889 16.995 0.534 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.367 16.910 1.471 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -2.547 14.890 0.149 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -5.877 14.973 2.805 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.766 12.806 1.191 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.095 12.894 3.852 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.576 10.968 2.480 1.00 0.00 H new ATOM 1116 N LEU A 69 -6.530 13.931 -0.373 1.00 0.00 N ATOM 1117 CA LEU A 69 -7.587 12.954 -0.132 1.00 0.00 C ATOM 1118 C LEU A 69 -7.157 11.935 0.918 1.00 0.00 C ATOM 1119 O LEU A 69 -5.998 11.524 0.960 1.00 0.00 O ATOM 1120 CB LEU A 69 -7.956 12.240 -1.433 1.00 0.00 C ATOM 1121 CG LEU A 69 -9.025 11.152 -1.322 1.00 0.00 C ATOM 1122 CD1 LEU A 69 -10.416 11.760 -1.416 1.00 0.00 C ATOM 1123 CD2 LEU A 69 -8.828 10.098 -2.402 1.00 0.00 C ATOM 0 H LEU A 69 -5.634 13.525 -0.643 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.461 13.486 0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.299 12.987 -2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.053 11.793 -1.847 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.926 10.670 -0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.164 10.971 -1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.555 12.477 -0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.527 12.268 -2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.598 9.332 -2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.900 10.565 -3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.845 9.641 -2.289 1.00 0.00 H new ATOM 1135 N ASN A 70 -8.100 11.529 1.762 1.00 0.00 N ATOM 1136 CA ASN A 70 -7.818 10.555 2.811 1.00 0.00 C ATOM 1137 C ASN A 70 -8.555 9.245 2.548 1.00 0.00 C ATOM 1138 O ASN A 70 -9.445 9.179 1.701 1.00 0.00 O ATOM 1139 CB ASN A 70 -8.221 11.115 4.177 1.00 0.00 C ATOM 1140 CG ASN A 70 -7.107 11.913 4.826 1.00 0.00 C ATOM 1141 OD1 ASN A 70 -7.150 13.143 4.861 1.00 0.00 O ATOM 1142 ND2 ASN A 70 -6.103 11.215 5.344 1.00 0.00 N ATOM 0 H ASN A 70 -9.065 11.859 1.740 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.746 10.355 2.810 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.099 11.750 4.062 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.506 10.293 4.834 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.325 11.698 5.794 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.110 10.196 5.292 1.00 0.00 H new ATOM 1149 N LYS A 71 -8.177 8.203 3.282 1.00 0.00 N ATOM 1150 CA LYS A 71 -8.801 6.894 3.131 1.00 0.00 C ATOM 1151 C LYS A 71 -10.142 6.844 3.857 1.00 0.00 C ATOM 1152 O LYS A 71 -11.065 6.149 3.431 1.00 0.00 O ATOM 1153 CB LYS A 71 -7.877 5.800 3.670 1.00 0.00 C ATOM 1154 CG LYS A 71 -7.904 5.672 5.183 1.00 0.00 C ATOM 1155 CD LYS A 71 -6.603 5.096 5.718 1.00 0.00 C ATOM 1156 CE LYS A 71 -5.528 6.165 5.836 1.00 0.00 C ATOM 1157 NZ LYS A 71 -5.579 6.861 7.152 1.00 0.00 N ATOM 0 H LYS A 71 -7.441 8.240 3.987 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.975 6.723 2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.162 4.845 3.228 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.856 6.008 3.350 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.080 6.651 5.629 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.735 5.033 5.480 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.778 4.645 6.695 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.257 4.301 5.057 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.547 5.709 5.704 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.651 6.894 5.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.830 7.582 7.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.506 7.318 7.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.436 6.170 7.916 1.00 0.00 H new ATOM 1171 N THR A 72 -10.244 7.587 4.955 1.00 0.00 N ATOM 1172 CA THR A 72 -11.472 7.628 5.739 1.00 0.00 C ATOM 1173 C THR A 72 -12.586 8.340 4.980 1.00 0.00 C ATOM 1174 O THR A 72 -13.767 8.145 5.265 1.00 0.00 O ATOM 1175 CB THR A 72 -11.253 8.335 7.089 1.00 0.00 C ATOM 1176 OG1 THR A 72 -12.325 8.024 7.985 1.00 0.00 O ATOM 1177 CG2 THR A 72 -11.163 9.842 6.902 1.00 0.00 C ATOM 0 H THR A 72 -9.490 8.169 5.321 1.00 0.00 H new ATOM 0 HA THR A 72 -11.764 6.594 5.922 1.00 0.00 H new ATOM 0 HB THR A 72 -10.313 7.980 7.511 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.177 8.476 8.842 1.00 0.00 H new ATOM 0 HG21 THR A 72 -11.008 10.320 7.869 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.327 10.078 6.243 1.00 0.00 H new ATOM 0 HG23 THR A 72 -12.089 10.210 6.460 1.00 0.00 H new ATOM 1185 N SER A 73 -12.202 9.166 4.012 1.00 0.00 N ATOM 1186 CA SER A 73 -13.169 9.910 3.213 1.00 0.00 C ATOM 1187 C SER A 73 -13.930 8.978 2.275 1.00 0.00 C ATOM 1188 O SER A 73 -15.064 9.260 1.886 1.00 0.00 O ATOM 1189 CB SER A 73 -12.463 11.001 2.405 1.00 0.00 C ATOM 1190 OG SER A 73 -12.340 12.194 3.159 1.00 0.00 O ATOM 0 H SER A 73 -11.228 9.337 3.762 1.00 0.00 H new ATOM 0 HA SER A 73 -13.883 10.376 3.892 1.00 0.00 H new ATOM 0 HB2 SER A 73 -11.475 10.653 2.104 1.00 0.00 H new ATOM 0 HB3 SER A 73 -13.022 11.201 1.491 1.00 0.00 H new ATOM 0 HG SER A 73 -11.884 12.875 2.622 1.00 0.00 H new ATOM 1196 N VAL A 74 -13.297 7.866 1.914 1.00 0.00 N ATOM 1197 CA VAL A 74 -13.914 6.891 1.022 1.00 0.00 C ATOM 1198 C VAL A 74 -14.406 5.673 1.796 1.00 0.00 C ATOM 1199 O VAL A 74 -15.030 4.776 1.229 1.00 0.00 O ATOM 1200 CB VAL A 74 -12.930 6.429 -0.069 1.00 0.00 C ATOM 1201 CG1 VAL A 74 -12.292 7.627 -0.755 1.00 0.00 C ATOM 1202 CG2 VAL A 74 -11.868 5.515 0.523 1.00 0.00 C ATOM 0 H VAL A 74 -12.358 7.618 2.225 1.00 0.00 H new ATOM 0 HA VAL A 74 -14.763 7.385 0.550 1.00 0.00 H new ATOM 0 HB VAL A 74 -13.485 5.865 -0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.600 7.281 -1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -13.068 8.239 -1.215 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.750 8.222 -0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -11.182 5.198 -0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -11.315 6.052 1.294 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.346 4.639 0.962 1.00 0.00 H new ATOM 1212 N ARG A 75 -14.123 5.649 3.094 1.00 0.00 N ATOM 1213 CA ARG A 75 -14.537 4.541 3.946 1.00 0.00 C ATOM 1214 C ARG A 75 -16.018 4.229 3.751 1.00 0.00 C ATOM 1215 O ARG A 75 -16.399 3.125 3.361 1.00 0.00 O ATOM 1216 CB ARG A 75 -14.262 4.868 5.415 1.00 0.00 C ATOM 1217 CG ARG A 75 -12.922 4.354 5.914 1.00 0.00 C ATOM 1218 CD ARG A 75 -12.644 4.812 7.337 1.00 0.00 C ATOM 1219 NE ARG A 75 -11.220 4.772 7.656 1.00 0.00 N ATOM 1220 CZ ARG A 75 -10.746 4.703 8.895 1.00 0.00 C ATOM 1221 NH1 ARG A 75 -11.579 4.666 9.926 1.00 0.00 N ATOM 1222 NH2 ARG A 75 -9.436 4.671 9.105 1.00 0.00 N ATOM 0 H ARG A 75 -13.609 6.384 3.579 1.00 0.00 H new ATOM 0 HA ARG A 75 -13.958 3.662 3.663 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.300 5.949 5.551 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.056 4.441 6.028 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.911 3.265 5.873 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.128 4.706 5.256 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.017 5.827 7.470 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.190 4.178 8.035 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.552 4.798 6.885 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.587 4.690 9.769 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.212 4.613 10.876 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.792 4.699 8.315 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.073 4.618 10.057 1.00 0.00 H new ATOM 1236 N PRO A 76 -16.874 5.223 4.030 1.00 0.00 N ATOM 1237 CA PRO A 76 -18.326 5.079 3.892 1.00 0.00 C ATOM 1238 C PRO A 76 -18.764 4.979 2.435 1.00 0.00 C ATOM 1239 O PRO A 76 -19.703 4.255 2.108 1.00 0.00 O ATOM 1240 CB PRO A 76 -18.871 6.361 4.527 1.00 0.00 C ATOM 1241 CG PRO A 76 -17.767 7.351 4.389 1.00 0.00 C ATOM 1242 CD PRO A 76 -16.489 6.565 4.499 1.00 0.00 C ATOM 0 HA PRO A 76 -18.691 4.165 4.361 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -19.774 6.701 4.020 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -19.133 6.204 5.573 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -17.825 7.869 3.432 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -17.825 8.112 5.167 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -15.699 6.995 3.884 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -16.118 6.542 5.524 1.00 0.00 H new ATOM 1250 N GLY A 77 -18.076 5.710 1.563 1.00 0.00 N ATOM 1251 CA GLY A 77 -18.408 5.688 0.151 1.00 0.00 C ATOM 1252 C GLY A 77 -18.843 4.315 -0.321 1.00 0.00 C ATOM 1253 O GLY A 77 -19.822 4.184 -1.056 1.00 0.00 O ATOM 0 H GLY A 77 -17.294 6.317 1.810 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -19.206 6.405 -0.043 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -17.542 6.010 -0.428 1.00 0.00 H new ATOM 1257 N LEU A 78 -18.113 3.288 0.100 1.00 0.00 N ATOM 1258 CA LEU A 78 -18.427 1.916 -0.286 1.00 0.00 C ATOM 1259 C LEU A 78 -18.774 1.073 0.937 1.00 0.00 C ATOM 1260 O LEU A 78 -18.132 1.180 1.982 1.00 0.00 O ATOM 1261 CB LEU A 78 -17.246 1.292 -1.031 1.00 0.00 C ATOM 1262 CG LEU A 78 -16.635 2.138 -2.148 1.00 0.00 C ATOM 1263 CD1 LEU A 78 -15.157 1.820 -2.311 1.00 0.00 C ATOM 1264 CD2 LEU A 78 -17.378 1.912 -3.457 1.00 0.00 C ATOM 0 H LEU A 78 -17.300 3.379 0.709 1.00 0.00 H new ATOM 0 HA LEU A 78 -19.294 1.939 -0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -16.464 1.064 -0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -17.572 0.343 -1.458 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.732 3.189 -1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.739 2.432 -3.111 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.634 2.034 -1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -15.037 0.766 -2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -16.929 2.523 -4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -17.314 0.860 -3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -18.424 2.191 -3.334 1.00 0.00 H new ATOM 1276 N LYS A 79 -19.793 0.232 0.799 1.00 0.00 N ATOM 1277 CA LYS A 79 -20.225 -0.634 1.890 1.00 0.00 C ATOM 1278 C LYS A 79 -19.677 -2.046 1.713 1.00 0.00 C ATOM 1279 O LYS A 79 -18.858 -2.508 2.507 1.00 0.00 O ATOM 1280 CB LYS A 79 -21.753 -0.674 1.962 1.00 0.00 C ATOM 1281 CG LYS A 79 -22.365 0.564 2.595 1.00 0.00 C ATOM 1282 CD LYS A 79 -22.477 0.422 4.104 1.00 0.00 C ATOM 1283 CE LYS A 79 -23.666 -0.443 4.495 1.00 0.00 C ATOM 1284 NZ LYS A 79 -24.958 0.277 4.319 1.00 0.00 N ATOM 0 H LYS A 79 -20.336 0.131 -0.059 1.00 0.00 H new ATOM 0 HA LYS A 79 -19.834 -0.225 2.822 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -22.153 -0.792 0.955 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -22.059 -1.552 2.531 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -21.756 1.435 2.355 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -23.354 0.740 2.171 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -21.561 -0.017 4.498 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -22.578 1.408 4.557 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -23.670 -1.350 3.890 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -23.562 -0.754 5.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -25.723 -0.268 4.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -24.896 1.215 4.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -25.159 0.387 3.304 1.00 0.00 H new ATOM 1298 N ASN A 80 -20.134 -2.727 0.667 1.00 0.00 N ATOM 1299 CA ASN A 80 -19.688 -4.087 0.386 1.00 0.00 C ATOM 1300 C ASN A 80 -18.422 -4.079 -0.466 1.00 0.00 C ATOM 1301 O ASN A 80 -18.401 -4.627 -1.569 1.00 0.00 O ATOM 1302 CB ASN A 80 -20.791 -4.871 -0.326 1.00 0.00 C ATOM 1303 CG ASN A 80 -21.918 -5.265 0.610 1.00 0.00 C ATOM 1304 OD1 ASN A 80 -21.831 -6.271 1.315 1.00 0.00 O ATOM 1305 ND2 ASN A 80 -22.982 -4.471 0.621 1.00 0.00 N ATOM 0 H ASN A 80 -20.813 -2.359 0.000 1.00 0.00 H new ATOM 0 HA ASN A 80 -19.462 -4.572 1.336 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -21.193 -4.269 -1.141 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -20.364 -5.768 -0.774 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -23.771 -4.684 1.231 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -23.010 -3.648 0.020 1.00 0.00 H new ATOM 1312 N CYS A 81 -17.370 -3.456 0.052 1.00 0.00 N ATOM 1313 CA CYS A 81 -16.100 -3.377 -0.661 1.00 0.00 C ATOM 1314 C CYS A 81 -15.027 -4.196 0.048 1.00 0.00 C ATOM 1315 O CYS A 81 -14.113 -4.721 -0.586 1.00 0.00 O ATOM 1316 CB CYS A 81 -15.650 -1.920 -0.783 1.00 0.00 C ATOM 1317 SG CYS A 81 -15.378 -1.096 0.803 1.00 0.00 S ATOM 0 H CYS A 81 -17.371 -2.998 0.963 1.00 0.00 H new ATOM 0 HA CYS A 81 -16.245 -3.789 -1.659 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -14.727 -1.883 -1.362 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -16.401 -1.365 -1.345 1.00 0.00 H new ATOM 0 HG CYS A 81 -14.897 0.094 0.597 1.00 0.00 H new ATOM 1323 N GLY A 82 -15.143 -4.299 1.368 1.00 0.00 N ATOM 1324 CA GLY A 82 -14.175 -5.053 2.142 1.00 0.00 C ATOM 1325 C GLY A 82 -14.207 -4.699 3.615 1.00 0.00 C ATOM 1326 O GLY A 82 -15.122 -5.097 4.337 1.00 0.00 O ATOM 0 H GLY A 82 -15.891 -3.873 1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.371 -6.119 2.023 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.176 -4.867 1.749 1.00 0.00 H new ATOM 1330 N ASP A 83 -13.206 -3.950 4.064 1.00 0.00 N ATOM 1331 CA ASP A 83 -13.122 -3.543 5.462 1.00 0.00 C ATOM 1332 C ASP A 83 -11.962 -2.576 5.678 1.00 0.00 C ATOM 1333 O ASP A 83 -10.981 -2.591 4.934 1.00 0.00 O ATOM 1334 CB ASP A 83 -12.957 -4.767 6.363 1.00 0.00 C ATOM 1335 CG ASP A 83 -12.637 -4.391 7.797 1.00 0.00 C ATOM 1336 OD1 ASP A 83 -13.564 -3.972 8.521 1.00 0.00 O ATOM 1337 OD2 ASP A 83 -11.460 -4.516 8.195 1.00 0.00 O ATOM 0 H ASP A 83 -12.441 -3.612 3.480 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.049 -3.033 5.722 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -13.873 -5.357 6.341 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.161 -5.399 5.970 1.00 0.00 H new ATOM 1342 N VAL A 84 -12.082 -1.735 6.700 1.00 0.00 N ATOM 1343 CA VAL A 84 -11.043 -0.761 7.014 1.00 0.00 C ATOM 1344 C VAL A 84 -9.654 -1.372 6.868 1.00 0.00 C ATOM 1345 O VAL A 84 -8.689 -0.677 6.555 1.00 0.00 O ATOM 1346 CB VAL A 84 -11.203 -0.211 8.444 1.00 0.00 C ATOM 1347 CG1 VAL A 84 -12.505 0.563 8.577 1.00 0.00 C ATOM 1348 CG2 VAL A 84 -11.140 -1.343 9.459 1.00 0.00 C ATOM 0 H VAL A 84 -12.888 -1.708 7.325 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.152 0.058 6.303 1.00 0.00 H new ATOM 0 HB VAL A 84 -10.380 0.474 8.645 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.600 0.943 9.594 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -12.505 1.398 7.876 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -13.344 -0.096 8.357 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -11.255 -0.937 10.464 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -11.942 -2.054 9.261 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -10.178 -1.850 9.380 1.00 0.00 H new ATOM 1358 N ASN A 85 -9.561 -2.678 7.098 1.00 0.00 N ATOM 1359 CA ASN A 85 -8.289 -3.384 6.992 1.00 0.00 C ATOM 1360 C ASN A 85 -7.639 -3.132 5.635 1.00 0.00 C ATOM 1361 O ASN A 85 -6.595 -2.485 5.546 1.00 0.00 O ATOM 1362 CB ASN A 85 -8.497 -4.885 7.200 1.00 0.00 C ATOM 1363 CG ASN A 85 -7.195 -5.619 7.455 1.00 0.00 C ATOM 1364 OD1 ASN A 85 -6.193 -5.383 6.780 1.00 0.00 O ATOM 1365 ND2 ASN A 85 -7.203 -6.515 8.435 1.00 0.00 N ATOM 0 H ASN A 85 -10.351 -3.268 7.359 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.625 -3.005 7.769 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -9.171 -5.042 8.042 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -8.983 -5.307 6.320 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -6.356 -7.039 8.653 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.056 -6.679 8.969 1.00 0.00 H new ATOM 1372 N CYS A 86 -8.263 -3.647 4.582 1.00 0.00 N ATOM 1373 CA CYS A 86 -7.745 -3.479 3.228 1.00 0.00 C ATOM 1374 C CYS A 86 -7.820 -2.019 2.795 1.00 0.00 C ATOM 1375 O CYS A 86 -6.879 -1.488 2.203 1.00 0.00 O ATOM 1376 CB CYS A 86 -8.527 -4.355 2.248 1.00 0.00 C ATOM 1377 SG CYS A 86 -10.303 -4.019 2.213 1.00 0.00 S ATOM 0 H CYS A 86 -9.128 -4.184 4.639 1.00 0.00 H new ATOM 0 HA CYS A 86 -6.699 -3.787 3.225 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -8.121 -4.212 1.246 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -8.371 -5.402 2.509 1.00 0.00 H new ATOM 0 HG CYS A 86 -10.658 -3.446 3.325 1.00 0.00 H new ATOM 1383 N ILE A 87 -8.944 -1.375 3.093 1.00 0.00 N ATOM 1384 CA ILE A 87 -9.141 0.023 2.734 1.00 0.00 C ATOM 1385 C ILE A 87 -7.857 0.825 2.920 1.00 0.00 C ATOM 1386 O ILE A 87 -7.442 1.568 2.032 1.00 0.00 O ATOM 1387 CB ILE A 87 -10.261 0.667 3.572 1.00 0.00 C ATOM 1388 CG1 ILE A 87 -11.618 0.071 3.193 1.00 0.00 C ATOM 1389 CG2 ILE A 87 -10.266 2.176 3.379 1.00 0.00 C ATOM 1390 CD1 ILE A 87 -12.717 0.393 4.182 1.00 0.00 C ATOM 0 H ILE A 87 -9.732 -1.800 3.582 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.429 0.041 1.683 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.074 0.456 4.625 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -11.906 0.441 2.209 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.520 -1.011 3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -11.063 2.617 3.978 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.306 2.586 3.694 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -10.432 2.408 2.327 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -13.650 -0.061 3.850 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -12.451 -0.001 5.163 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -12.843 1.474 4.247 1.00 0.00 H new ATOM 1402 N GLY A 88 -7.230 0.667 4.082 1.00 0.00 N ATOM 1403 CA GLY A 88 -5.998 1.381 4.364 1.00 0.00 C ATOM 1404 C GLY A 88 -4.848 0.919 3.491 1.00 0.00 C ATOM 1405 O GLY A 88 -4.032 1.727 3.050 1.00 0.00 O ATOM 0 H GLY A 88 -7.553 0.057 4.833 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.158 2.449 4.214 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.733 1.242 5.412 1.00 0.00 H new ATOM 1409 N ARG A 89 -4.782 -0.385 3.244 1.00 0.00 N ATOM 1410 CA ARG A 89 -3.721 -0.954 2.421 1.00 0.00 C ATOM 1411 C ARG A 89 -3.750 -0.366 1.013 1.00 0.00 C ATOM 1412 O ARG A 89 -2.725 0.072 0.492 1.00 0.00 O ATOM 1413 CB ARG A 89 -3.860 -2.476 2.352 1.00 0.00 C ATOM 1414 CG ARG A 89 -3.108 -3.207 3.453 1.00 0.00 C ATOM 1415 CD ARG A 89 -1.667 -3.484 3.053 1.00 0.00 C ATOM 1416 NE ARG A 89 -0.975 -4.311 4.038 1.00 0.00 N ATOM 1417 CZ ARG A 89 -0.573 -3.863 5.222 1.00 0.00 C ATOM 1418 NH1 ARG A 89 -0.793 -2.601 5.566 1.00 0.00 N ATOM 1419 NH2 ARG A 89 0.050 -4.677 6.064 1.00 0.00 N ATOM 0 H ARG A 89 -5.450 -1.067 3.602 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.765 -0.704 2.881 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.916 -2.739 2.409 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.497 -2.822 1.384 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.125 -2.611 4.365 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.612 -4.147 3.677 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.649 -3.983 2.084 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.136 -2.540 2.935 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.790 -5.286 3.804 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.272 -1.973 4.921 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.483 -2.259 6.476 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.221 -5.648 5.802 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.358 -4.332 6.973 1.00 0.00 H new ATOM 1433 N ILE A 90 -4.931 -0.360 0.405 1.00 0.00 N ATOM 1434 CA ILE A 90 -5.094 0.174 -0.942 1.00 0.00 C ATOM 1435 C ILE A 90 -4.851 1.680 -0.968 1.00 0.00 C ATOM 1436 O ILE A 90 -3.986 2.167 -1.697 1.00 0.00 O ATOM 1437 CB ILE A 90 -6.500 -0.117 -1.497 1.00 0.00 C ATOM 1438 CG1 ILE A 90 -6.824 -1.607 -1.368 1.00 0.00 C ATOM 1439 CG2 ILE A 90 -6.599 0.328 -2.949 1.00 0.00 C ATOM 1440 CD1 ILE A 90 -8.270 -1.939 -1.666 1.00 0.00 C ATOM 0 H ILE A 90 -5.789 -0.719 0.823 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.355 -0.323 -1.570 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.229 0.446 -0.914 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.183 -2.170 -2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.585 -1.936 -0.357 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.599 0.116 -3.327 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.406 1.399 -3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.863 -0.211 -3.546 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.427 -3.012 -1.555 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.917 -1.404 -0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.509 -1.641 -2.687 1.00 0.00 H new ATOM 1452 N HIS A 91 -5.619 2.412 -0.168 1.00 0.00 N ATOM 1453 CA HIS A 91 -5.486 3.863 -0.098 1.00 0.00 C ATOM 1454 C HIS A 91 -4.048 4.261 0.224 1.00 0.00 C ATOM 1455 O HIS A 91 -3.468 5.122 -0.439 1.00 0.00 O ATOM 1456 CB HIS A 91 -6.434 4.432 0.958 1.00 0.00 C ATOM 1457 CG HIS A 91 -6.748 5.884 0.760 1.00 0.00 C ATOM 1458 ND1 HIS A 91 -6.016 6.898 1.342 1.00 0.00 N ATOM 1459 CD2 HIS A 91 -7.720 6.489 0.039 1.00 0.00 C ATOM 1460 CE1 HIS A 91 -6.526 8.064 0.988 1.00 0.00 C ATOM 1461 NE2 HIS A 91 -7.561 7.843 0.197 1.00 0.00 N ATOM 0 H HIS A 91 -6.340 2.025 0.441 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.749 4.276 -1.072 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -7.363 3.863 0.945 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.990 4.296 1.944 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.480 5.998 -0.551 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -6.159 9.033 1.293 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.147 8.562 -0.227 1.00 0.00 H new ATOM 1469 N THR A 92 -3.479 3.631 1.246 1.00 0.00 N ATOM 1470 CA THR A 92 -2.111 3.921 1.657 1.00 0.00 C ATOM 1471 C THR A 92 -1.127 3.646 0.525 1.00 0.00 C ATOM 1472 O THR A 92 -0.460 4.558 0.035 1.00 0.00 O ATOM 1473 CB THR A 92 -1.705 3.088 2.888 1.00 0.00 C ATOM 1474 OG1 THR A 92 -2.541 3.421 4.002 1.00 0.00 O ATOM 1475 CG2 THR A 92 -0.248 3.332 3.250 1.00 0.00 C ATOM 0 H THR A 92 -3.945 2.916 1.805 1.00 0.00 H new ATOM 0 HA THR A 92 -2.077 4.979 1.916 1.00 0.00 H new ATOM 0 HB THR A 92 -1.830 2.033 2.643 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.443 3.069 3.851 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.015 2.733 4.122 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.388 3.050 2.411 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.101 4.388 3.477 1.00 0.00 H new ATOM 1483 N TYR A 93 -1.043 2.386 0.114 1.00 0.00 N ATOM 1484 CA TYR A 93 -0.139 1.992 -0.960 1.00 0.00 C ATOM 1485 C TYR A 93 -0.116 3.042 -2.066 1.00 0.00 C ATOM 1486 O TYR A 93 0.907 3.686 -2.307 1.00 0.00 O ATOM 1487 CB TYR A 93 -0.557 0.638 -1.536 1.00 0.00 C ATOM 1488 CG TYR A 93 0.064 0.333 -2.880 1.00 0.00 C ATOM 1489 CD1 TYR A 93 1.442 0.224 -3.021 1.00 0.00 C ATOM 1490 CD2 TYR A 93 -0.726 0.155 -4.009 1.00 0.00 C ATOM 1491 CE1 TYR A 93 2.015 -0.053 -4.247 1.00 0.00 C ATOM 1492 CE2 TYR A 93 -0.162 -0.124 -5.239 1.00 0.00 C ATOM 1493 CZ TYR A 93 1.209 -0.227 -5.353 1.00 0.00 C ATOM 1494 OH TYR A 93 1.775 -0.504 -6.576 1.00 0.00 O ATOM 0 H TYR A 93 -1.590 1.620 0.508 1.00 0.00 H new ATOM 0 HA TYR A 93 0.864 1.908 -0.543 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -0.282 -0.147 -0.832 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.642 0.614 -1.633 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.076 0.358 -2.157 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.800 0.236 -3.924 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.088 -0.133 -4.339 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -0.791 -0.261 -6.106 1.00 0.00 H new ATOM 0 HH TYR A 93 2.449 -1.208 -6.473 1.00 0.00 H new ATOM 1504 N LEU A 94 -1.251 3.211 -2.736 1.00 0.00 N ATOM 1505 CA LEU A 94 -1.363 4.184 -3.818 1.00 0.00 C ATOM 1506 C LEU A 94 -0.785 5.532 -3.399 1.00 0.00 C ATOM 1507 O LEU A 94 -0.272 6.282 -4.229 1.00 0.00 O ATOM 1508 CB LEU A 94 -2.826 4.349 -4.231 1.00 0.00 C ATOM 1509 CG LEU A 94 -3.521 3.094 -4.760 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -5.007 3.131 -4.441 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -3.299 2.953 -6.259 1.00 0.00 C ATOM 0 H LEU A 94 -2.106 2.687 -2.549 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.791 3.813 -4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.386 4.715 -3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.881 5.121 -4.999 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.086 2.226 -4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.484 2.230 -4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.146 3.183 -3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.458 4.007 -4.907 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.801 2.054 -6.618 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.706 3.825 -6.771 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.231 2.878 -6.463 1.00 0.00 H new ATOM 1523 N GLU A 95 -0.871 5.832 -2.107 1.00 0.00 N ATOM 1524 CA GLU A 95 -0.356 7.090 -1.579 1.00 0.00 C ATOM 1525 C GLU A 95 1.168 7.063 -1.501 1.00 0.00 C ATOM 1526 O GLU A 95 1.828 8.091 -1.661 1.00 0.00 O ATOM 1527 CB GLU A 95 -0.943 7.366 -0.194 1.00 0.00 C ATOM 1528 CG GLU A 95 -0.773 8.805 0.263 1.00 0.00 C ATOM 1529 CD GLU A 95 -1.950 9.682 -0.117 1.00 0.00 C ATOM 1530 OE1 GLU A 95 -2.702 9.299 -1.038 1.00 0.00 O ATOM 1531 OE2 GLU A 95 -2.120 10.750 0.507 1.00 0.00 O ATOM 0 H GLU A 95 -1.292 5.221 -1.407 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.655 7.889 -2.258 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.005 7.119 -0.203 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.468 6.705 0.531 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.644 8.826 1.345 1.00 0.00 H new ATOM 0 HG3 GLU A 95 0.137 9.216 -0.174 1.00 0.00 H new ATOM 1538 N LEU A 96 1.721 5.880 -1.254 1.00 0.00 N ATOM 1539 CA LEU A 96 3.167 5.718 -1.154 1.00 0.00 C ATOM 1540 C LEU A 96 3.817 5.764 -2.533 1.00 0.00 C ATOM 1541 O LEU A 96 4.918 6.292 -2.694 1.00 0.00 O ATOM 1542 CB LEU A 96 3.505 4.396 -0.462 1.00 0.00 C ATOM 1543 CG LEU A 96 2.763 4.114 0.845 1.00 0.00 C ATOM 1544 CD1 LEU A 96 3.039 2.696 1.320 1.00 0.00 C ATOM 1545 CD2 LEU A 96 3.160 5.123 1.913 1.00 0.00 C ATOM 0 H LEU A 96 1.190 5.020 -1.119 1.00 0.00 H new ATOM 0 HA LEU A 96 3.560 6.543 -0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.298 3.582 -1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.576 4.378 -0.260 1.00 0.00 H new ATOM 0 HG LEU A 96 1.693 4.212 0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.503 2.513 2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.704 1.987 0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.109 2.570 1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.622 4.907 2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.233 5.058 2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.910 6.128 1.575 1.00 0.00 H new ATOM 1557 N ILE A 97 3.128 5.209 -3.524 1.00 0.00 N ATOM 1558 CA ILE A 97 3.637 5.189 -4.890 1.00 0.00 C ATOM 1559 C ILE A 97 3.455 6.545 -5.564 1.00 0.00 C ATOM 1560 O ILE A 97 4.109 6.847 -6.561 1.00 0.00 O ATOM 1561 CB ILE A 97 2.938 4.110 -5.736 1.00 0.00 C ATOM 1562 CG1 ILE A 97 1.424 4.160 -5.517 1.00 0.00 C ATOM 1563 CG2 ILE A 97 3.483 2.732 -5.393 1.00 0.00 C ATOM 1564 CD1 ILE A 97 0.641 3.343 -6.520 1.00 0.00 C ATOM 0 H ILE A 97 2.216 4.767 -3.407 1.00 0.00 H new ATOM 0 HA ILE A 97 4.700 4.957 -4.827 1.00 0.00 H new ATOM 0 HB ILE A 97 3.141 4.307 -6.789 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.198 3.801 -4.513 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.092 5.197 -5.567 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.979 1.980 -6.000 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.554 2.703 -5.596 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.308 2.524 -4.337 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.424 3.425 -6.304 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.837 3.716 -7.525 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.945 2.298 -6.455 1.00 0.00 H new ATOM 1576 N GLY A 98 2.562 7.360 -5.010 1.00 0.00 N ATOM 1577 CA GLY A 98 2.310 8.675 -5.570 1.00 0.00 C ATOM 1578 C GLY A 98 1.059 8.711 -6.426 1.00 0.00 C ATOM 1579 O GLY A 98 0.461 9.769 -6.617 1.00 0.00 O ATOM 0 H GLY A 98 2.009 7.133 -4.184 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.214 9.399 -4.761 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.167 8.981 -6.171 1.00 0.00 H new ATOM 1583 N ALA A 99 0.665 7.553 -6.944 1.00 0.00 N ATOM 1584 CA ALA A 99 -0.522 7.456 -7.784 1.00 0.00 C ATOM 1585 C ALA A 99 -1.593 8.446 -7.337 1.00 0.00 C ATOM 1586 O ALA A 99 -2.306 9.018 -8.162 1.00 0.00 O ATOM 1587 CB ALA A 99 -1.070 6.037 -7.763 1.00 0.00 C ATOM 0 H ALA A 99 1.151 6.668 -6.797 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.235 7.707 -8.805 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.956 5.980 -8.395 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.312 5.349 -8.138 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.334 5.764 -6.741 1.00 0.00 H new ATOM 1593 N ILE A 100 -1.700 8.642 -6.027 1.00 0.00 N ATOM 1594 CA ILE A 100 -2.684 9.563 -5.472 1.00 0.00 C ATOM 1595 C ILE A 100 -2.048 10.492 -4.444 1.00 0.00 C ATOM 1596 O ILE A 100 -1.120 10.107 -3.734 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.852 8.808 -4.811 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -3.325 7.821 -3.767 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -4.677 8.082 -5.864 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -4.387 7.333 -2.807 1.00 0.00 C ATOM 0 H ILE A 100 -1.118 8.176 -5.331 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.068 10.153 -6.304 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.494 9.531 -4.308 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.887 6.964 -4.278 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.525 8.297 -3.200 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.499 7.553 -5.381 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.078 8.805 -6.574 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.046 7.367 -6.392 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.942 6.637 -2.096 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.809 8.182 -2.269 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.176 6.828 -3.364 1.00 0.00 H new ATOM 1612 N ASN A 101 -2.556 11.718 -4.368 1.00 0.00 N ATOM 1613 CA ASN A 101 -2.039 12.703 -3.425 1.00 0.00 C ATOM 1614 C ASN A 101 -0.529 12.860 -3.576 1.00 0.00 C ATOM 1615 O ASN A 101 0.202 12.923 -2.587 1.00 0.00 O ATOM 1616 CB ASN A 101 -2.379 12.294 -1.990 1.00 0.00 C ATOM 1617 CG ASN A 101 -3.852 12.461 -1.675 1.00 0.00 C ATOM 1618 OD1 ASN A 101 -4.479 13.439 -2.084 1.00 0.00 O ATOM 1619 ND2 ASN A 101 -4.413 11.505 -0.943 1.00 0.00 N ATOM 0 H ASN A 101 -3.325 12.053 -4.948 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.510 13.661 -3.644 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -2.093 11.254 -1.834 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -1.791 12.894 -1.295 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.402 11.564 -0.698 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -3.855 10.712 -0.625 1.00 0.00 H new ATOM 1626 N PHE A 102 -0.068 12.924 -4.821 1.00 0.00 N ATOM 1627 CA PHE A 102 1.355 13.073 -5.103 1.00 0.00 C ATOM 1628 C PHE A 102 1.877 14.406 -4.573 1.00 0.00 C ATOM 1629 O PHE A 102 1.151 15.398 -4.534 1.00 0.00 O ATOM 1630 CB PHE A 102 1.611 12.975 -6.608 1.00 0.00 C ATOM 1631 CG PHE A 102 3.044 13.218 -6.990 1.00 0.00 C ATOM 1632 CD1 PHE A 102 4.065 12.495 -6.395 1.00 0.00 C ATOM 1633 CD2 PHE A 102 3.368 14.170 -7.942 1.00 0.00 C ATOM 1634 CE1 PHE A 102 5.384 12.716 -6.744 1.00 0.00 C ATOM 1635 CE2 PHE A 102 4.685 14.396 -8.296 1.00 0.00 C ATOM 1636 CZ PHE A 102 5.695 13.669 -7.695 1.00 0.00 C ATOM 0 H PHE A 102 -0.659 12.875 -5.651 1.00 0.00 H new ATOM 0 HA PHE A 102 1.887 12.267 -4.598 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.314 11.986 -6.955 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.978 13.697 -7.124 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.828 11.750 -5.650 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.583 14.742 -8.413 1.00 0.00 H new ATOM 0 HE1 PHE A 102 6.171 12.144 -6.274 1.00 0.00 H new ATOM 0 HE2 PHE A 102 4.924 15.140 -9.041 1.00 0.00 H new ATOM 0 HZ PHE A 102 6.725 13.845 -7.968 1.00 0.00 H new ATOM 1646 N GLY A 103 3.143 14.418 -4.165 1.00 0.00 N ATOM 1647 CA GLY A 103 3.741 15.633 -3.642 1.00 0.00 C ATOM 1648 C GLY A 103 2.782 16.425 -2.776 1.00 0.00 C ATOM 1649 O GLY A 103 2.158 17.379 -3.242 1.00 0.00 O ATOM 0 H GLY A 103 3.764 13.609 -4.187 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.626 15.377 -3.059 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.076 16.256 -4.472 1.00 0.00 H new ATOM 1653 N CYS A 104 2.663 16.030 -1.514 1.00 0.00 N ATOM 1654 CA CYS A 104 1.771 16.709 -0.581 1.00 0.00 C ATOM 1655 C CYS A 104 2.267 16.559 0.854 1.00 0.00 C ATOM 1656 O CYS A 104 2.211 15.473 1.429 1.00 0.00 O ATOM 1657 CB CYS A 104 0.352 16.152 -0.703 1.00 0.00 C ATOM 1658 SG CYS A 104 -0.509 16.648 -2.214 1.00 0.00 S ATOM 0 H CYS A 104 3.173 15.243 -1.113 1.00 0.00 H new ATOM 0 HA CYS A 104 1.761 17.769 -0.834 1.00 0.00 H new ATOM 0 HB2 CYS A 104 0.396 15.064 -0.663 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -0.230 16.479 0.158 1.00 0.00 H new ATOM 0 HG CYS A 104 0.362 16.957 -3.128 1.00 0.00 H new ATOM 1664 N GLU A 105 2.755 17.657 1.423 1.00 0.00 N ATOM 1665 CA GLU A 105 3.264 17.645 2.790 1.00 0.00 C ATOM 1666 C GLU A 105 2.278 16.961 3.732 1.00 0.00 C ATOM 1667 O GLU A 105 2.652 16.501 4.810 1.00 0.00 O ATOM 1668 CB GLU A 105 3.536 19.073 3.268 1.00 0.00 C ATOM 1669 CG GLU A 105 2.276 19.893 3.484 1.00 0.00 C ATOM 1670 CD GLU A 105 1.543 20.189 2.190 1.00 0.00 C ATOM 1671 OE1 GLU A 105 1.941 21.141 1.486 1.00 0.00 O ATOM 1672 OE2 GLU A 105 0.571 19.469 1.882 1.00 0.00 O ATOM 0 H GLU A 105 2.809 18.564 0.960 1.00 0.00 H new ATOM 0 HA GLU A 105 4.197 17.082 2.798 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.098 19.034 4.201 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.167 19.578 2.537 1.00 0.00 H new ATOM 0 HG2 GLU A 105 1.610 19.357 4.160 1.00 0.00 H new ATOM 0 HG3 GLU A 105 2.537 20.832 3.972 1.00 0.00 H new ATOM 1679 N GLN A 106 1.017 16.900 3.317 1.00 0.00 N ATOM 1680 CA GLN A 106 -0.023 16.273 4.124 1.00 0.00 C ATOM 1681 C GLN A 106 -0.282 14.843 3.663 1.00 0.00 C ATOM 1682 O GLN A 106 -1.431 14.417 3.542 1.00 0.00 O ATOM 1683 CB GLN A 106 -1.316 17.087 4.050 1.00 0.00 C ATOM 1684 CG GLN A 106 -1.874 17.216 2.641 1.00 0.00 C ATOM 1685 CD GLN A 106 -2.795 18.410 2.486 1.00 0.00 C ATOM 1686 OE1 GLN A 106 -3.884 18.447 3.059 1.00 0.00 O ATOM 1687 NE2 GLN A 106 -2.363 19.394 1.706 1.00 0.00 N ATOM 0 H GLN A 106 0.691 17.277 2.427 1.00 0.00 H new ATOM 0 HA GLN A 106 0.322 16.245 5.158 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.067 16.620 4.688 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -1.132 18.083 4.452 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -1.049 17.304 1.934 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -2.418 16.307 2.385 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -1.453 19.322 1.250 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -2.941 20.222 1.563 1.00 0.00 H new ATOM 1696 N ALA A 107 0.793 14.105 3.408 1.00 0.00 N ATOM 1697 CA ALA A 107 0.682 12.721 2.962 1.00 0.00 C ATOM 1698 C ALA A 107 0.847 11.754 4.129 1.00 0.00 C ATOM 1699 O ALA A 107 1.015 12.170 5.275 1.00 0.00 O ATOM 1700 CB ALA A 107 1.714 12.430 1.882 1.00 0.00 C ATOM 0 H ALA A 107 1.751 14.442 3.503 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.315 12.578 2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 107 1.620 11.393 1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.548 13.092 1.032 1.00 0.00 H new ATOM 0 HB3 ALA A 107 2.715 12.596 2.281 1.00 0.00 H new ATOM 1706 N VAL A 108 0.796 10.459 3.830 1.00 0.00 N ATOM 1707 CA VAL A 108 0.940 9.432 4.854 1.00 0.00 C ATOM 1708 C VAL A 108 2.409 9.174 5.171 1.00 0.00 C ATOM 1709 O VAL A 108 2.736 8.534 6.171 1.00 0.00 O ATOM 1710 CB VAL A 108 0.280 8.110 4.420 1.00 0.00 C ATOM 1711 CG1 VAL A 108 0.884 7.614 3.115 1.00 0.00 C ATOM 1712 CG2 VAL A 108 0.418 7.062 5.514 1.00 0.00 C ATOM 0 H VAL A 108 0.656 10.097 2.887 1.00 0.00 H new ATOM 0 HA VAL A 108 0.438 9.804 5.747 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.782 8.291 4.254 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.405 6.679 2.825 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.728 8.359 2.335 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.953 7.448 3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.054 6.134 5.191 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.474 6.882 5.714 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.067 7.418 6.423 1.00 0.00 H new ATOM 1722 N TYR A 109 3.290 9.675 4.313 1.00 0.00 N ATOM 1723 CA TYR A 109 4.725 9.497 4.499 1.00 0.00 C ATOM 1724 C TYR A 109 5.343 10.719 5.172 1.00 0.00 C ATOM 1725 O TYR A 109 6.104 10.596 6.130 1.00 0.00 O ATOM 1726 CB TYR A 109 5.408 9.241 3.155 1.00 0.00 C ATOM 1727 CG TYR A 109 4.742 9.945 1.994 1.00 0.00 C ATOM 1728 CD1 TYR A 109 3.603 9.418 1.397 1.00 0.00 C ATOM 1729 CD2 TYR A 109 5.251 11.137 1.494 1.00 0.00 C ATOM 1730 CE1 TYR A 109 2.992 10.058 0.336 1.00 0.00 C ATOM 1731 CE2 TYR A 109 4.646 11.784 0.434 1.00 0.00 C ATOM 1732 CZ TYR A 109 3.517 11.240 -0.141 1.00 0.00 C ATOM 1733 OH TYR A 109 2.910 11.881 -1.197 1.00 0.00 O ATOM 0 H TYR A 109 3.036 10.208 3.481 1.00 0.00 H new ATOM 0 HA TYR A 109 4.877 8.633 5.146 1.00 0.00 H new ATOM 0 HB2 TYR A 109 6.447 9.564 3.217 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.419 8.168 2.961 1.00 0.00 H new ATOM 0 HD1 TYR A 109 3.189 8.493 1.769 1.00 0.00 H new ATOM 0 HD2 TYR A 109 6.135 11.565 1.942 1.00 0.00 H new ATOM 0 HE1 TYR A 109 2.108 9.635 -0.117 1.00 0.00 H new ATOM 0 HE2 TYR A 109 5.055 12.710 0.058 1.00 0.00 H new ATOM 0 HH TYR A 109 3.404 12.700 -1.410 1.00 0.00 H new ATOM 1743 N ASN A 110 5.007 11.900 4.662 1.00 0.00 N ATOM 1744 CA ASN A 110 5.528 13.146 5.212 1.00 0.00 C ATOM 1745 C ASN A 110 5.201 13.263 6.697 1.00 0.00 C ATOM 1746 O ASN A 110 6.027 13.713 7.491 1.00 0.00 O ATOM 1747 CB ASN A 110 4.949 14.343 4.455 1.00 0.00 C ATOM 1748 CG ASN A 110 5.765 14.700 3.227 1.00 0.00 C ATOM 1749 OD1 ASN A 110 6.992 14.781 3.286 1.00 0.00 O ATOM 1750 ND2 ASN A 110 5.085 14.917 2.107 1.00 0.00 N ATOM 0 H ASN A 110 4.377 12.020 3.869 1.00 0.00 H new ATOM 0 HA ASN A 110 6.612 13.141 5.096 1.00 0.00 H new ATOM 0 HB2 ASN A 110 3.925 14.119 4.155 1.00 0.00 H new ATOM 0 HB3 ASN A 110 4.905 15.204 5.122 1.00 0.00 H new ATOM 0 HD21 ASN A 110 5.580 15.162 1.249 1.00 0.00 H new ATOM 0 HD22 ASN A 110 4.068 14.839 2.105 1.00 0.00 H new ATOM 1757 N ARG A 111 3.991 12.855 7.065 1.00 0.00 N ATOM 1758 CA ARG A 111 3.554 12.915 8.455 1.00 0.00 C ATOM 1759 C ARG A 111 4.034 11.691 9.229 1.00 0.00 C ATOM 1760 O ARG A 111 4.448 10.694 8.637 1.00 0.00 O ATOM 1761 CB ARG A 111 2.029 13.013 8.529 1.00 0.00 C ATOM 1762 CG ARG A 111 1.320 11.703 8.227 1.00 0.00 C ATOM 1763 CD ARG A 111 -0.169 11.916 8.001 1.00 0.00 C ATOM 1764 NE ARG A 111 -0.864 12.273 9.234 1.00 0.00 N ATOM 1765 CZ ARG A 111 -2.187 12.332 9.341 1.00 0.00 C ATOM 1766 NH1 ARG A 111 -2.953 12.058 8.294 1.00 0.00 N ATOM 1767 NH2 ARG A 111 -2.746 12.665 10.498 1.00 0.00 N ATOM 0 H ARG A 111 3.296 12.479 6.420 1.00 0.00 H new ATOM 0 HA ARG A 111 3.991 13.805 8.909 1.00 0.00 H new ATOM 0 HB2 ARG A 111 1.743 13.350 9.525 1.00 0.00 H new ATOM 0 HB3 ARG A 111 1.687 13.772 7.825 1.00 0.00 H new ATOM 0 HG2 ARG A 111 1.762 11.244 7.342 1.00 0.00 H new ATOM 0 HG3 ARG A 111 1.468 11.008 9.054 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -0.314 12.704 7.262 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -0.607 11.007 7.588 1.00 0.00 H new ATOM 0 HE ARG A 111 -0.303 12.489 10.058 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -2.527 11.801 7.404 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -3.968 12.104 8.379 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -2.160 12.876 11.306 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -3.762 12.710 10.579 1.00 0.00 H new