USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 970 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 TYR OH : rot 48:sc= -0.414 USER MOD Set 1.2: A 99 TYR OH : rot -175:sc= 0.657 USER MOD Single : A 10 ASN : amide:sc= -0.851 K(o=-0.85,f=-2.5!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot -26:sc= 0.0245 USER MOD Single : A 17 ASN : amide:sc= 1.17 K(o=1.2,f=-1.1) USER MOD Single : A 19 ASN : amide:sc= 0.88 K(o=0.88,f=-8.2!) USER MOD Single : A 23 THR OG1 : rot 150:sc= -0.134 USER MOD Single : A 29 THR OG1 : rot 68:sc= 1.28 USER MOD Single : A 32 SER OG : rot 55:sc= 1.27 USER MOD Single : A 34 TYR OH : rot 30:sc= -0.315 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.734 K(o=0.73,f=0) USER MOD Single : A 48 THR OG1 : rot -24:sc= 0.298 USER MOD Single : A 51 SER OG : rot 180:sc= -0.032 USER MOD Single : A 52 GLN : amide:sc= -1.19 K(o=-1.2,f=-6.1!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 154:sc= 2.48 (180deg=1.6) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.0386 K(o=-0.039,f=-1.7!) USER MOD Single : A 64 SER OG : rot -21:sc= 0.762 USER MOD Single : A 65 THR OG1 : rot -139:sc= 0.89 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= -1.57! C(o=-1.6!,f=-11!) USER MOD Single : A 76 LYS NZ :NH3+ 171:sc=-0.00745 (180deg=-0.105) USER MOD Single : A 83 LYS NZ :NH3+ -170:sc= 1.87 (180deg=1.68) USER MOD Single : A 86 HIS : no HE2:sc= -0.631 K(o=-0.63,f=-3.2!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -146:sc= 1.31 (180deg=1.18) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN :FLIP amide:sc= -0.0176 F(o=-1.2,f=-0.018) USER MOD Single : A 97 LYS NZ :NH3+ -155:sc= 1.3 (180deg=1.21) USER MOD Single : A 98 TYR OH : rot 37:sc= 1.45 USER MOD Single : A 103 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.14) USER MOD Single : B 209 MET CE :methyl 152:sc= -1.04 (180deg=-2.61!) USER MOD Single : B 213 SER OG : rot 83:sc= 1.25 USER MOD Single : B 215 SER OG : rot -90:sc= 1.44 USER MOD Single : C 317 SER OG : rot -79:sc= 0.301 USER MOD ----------------------------------------------------------------- ATOM 128 N ASN A 10 4.046 4.482 -7.530 1.00 0.00 N ATOM 129 CA ASN A 10 5.193 5.279 -7.157 1.00 0.00 C ATOM 130 C ASN A 10 4.689 6.601 -6.614 1.00 0.00 C ATOM 131 O ASN A 10 4.266 7.477 -7.380 1.00 0.00 O ATOM 132 CB ASN A 10 6.116 5.549 -8.347 1.00 0.00 C ATOM 133 CG ASN A 10 6.801 4.328 -8.909 1.00 0.00 C ATOM 134 OD1 ASN A 10 7.066 3.363 -8.203 1.00 0.00 O ATOM 135 ND2 ASN A 10 7.115 4.366 -10.184 1.00 0.00 N ATOM 0 HA ASN A 10 5.769 4.731 -6.411 1.00 0.00 H new ATOM 0 HB2 ASN A 10 5.534 6.019 -9.140 1.00 0.00 H new ATOM 0 HB3 ASN A 10 6.877 6.267 -8.042 1.00 0.00 H new ATOM 0 HD21 ASN A 10 7.595 3.576 -10.615 1.00 0.00 H new ATOM 0 HD22 ASN A 10 6.879 5.186 -10.743 1.00 0.00 H new ATOM 142 N ALA A 11 4.675 6.717 -5.299 1.00 0.00 N ATOM 143 CA ALA A 11 4.178 7.914 -4.643 1.00 0.00 C ATOM 144 C ALA A 11 5.203 9.043 -4.673 1.00 0.00 C ATOM 145 O ALA A 11 4.866 10.209 -4.431 1.00 0.00 O ATOM 146 CB ALA A 11 3.737 7.604 -3.225 1.00 0.00 C ATOM 0 H ALA A 11 5.004 5.993 -4.660 1.00 0.00 H new ATOM 0 HA ALA A 11 3.308 8.261 -5.200 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.368 8.514 -2.752 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.942 6.858 -3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.583 7.217 -2.657 1.00 0.00 H new ATOM 152 N TYR A 12 6.448 8.697 -4.948 1.00 0.00 N ATOM 153 CA TYR A 12 7.486 9.687 -5.109 1.00 0.00 C ATOM 154 C TYR A 12 7.434 10.247 -6.506 1.00 0.00 C ATOM 155 O TYR A 12 7.272 9.511 -7.487 1.00 0.00 O ATOM 156 CB TYR A 12 8.892 9.134 -4.816 1.00 0.00 C ATOM 157 CG TYR A 12 9.313 9.177 -3.362 1.00 0.00 C ATOM 158 CD1 TYR A 12 9.949 10.305 -2.856 1.00 0.00 C ATOM 159 CD2 TYR A 12 9.098 8.106 -2.502 1.00 0.00 C ATOM 160 CE1 TYR A 12 10.357 10.373 -1.542 1.00 0.00 C ATOM 161 CE2 TYR A 12 9.506 8.165 -1.176 1.00 0.00 C ATOM 162 CZ TYR A 12 10.136 9.306 -0.704 1.00 0.00 C ATOM 163 OH TYR A 12 10.542 9.383 0.616 1.00 0.00 O ATOM 0 H TYR A 12 6.761 7.733 -5.064 1.00 0.00 H new ATOM 0 HA TYR A 12 7.299 10.474 -4.378 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.937 8.101 -5.160 1.00 0.00 H new ATOM 0 HB3 TYR A 12 9.616 9.698 -5.404 1.00 0.00 H new ATOM 0 HD1 TYR A 12 10.127 11.147 -3.508 1.00 0.00 H new ATOM 0 HD2 TYR A 12 8.607 7.217 -2.870 1.00 0.00 H new ATOM 0 HE1 TYR A 12 10.848 11.261 -1.172 1.00 0.00 H new ATOM 0 HE2 TYR A 12 9.334 7.327 -0.517 1.00 0.00 H new ATOM 0 HH TYR A 12 10.313 8.549 1.078 1.00 0.00 H new ATOM 173 N ILE A 13 7.531 11.519 -6.606 1.00 0.00 N ATOM 174 CA ILE A 13 7.506 12.150 -7.873 1.00 0.00 C ATOM 175 C ILE A 13 8.865 12.663 -8.256 1.00 0.00 C ATOM 176 O ILE A 13 9.594 13.239 -7.432 1.00 0.00 O ATOM 177 CB ILE A 13 6.443 13.267 -7.963 1.00 0.00 C ATOM 178 CG1 ILE A 13 6.639 14.324 -6.861 1.00 0.00 C ATOM 179 CG2 ILE A 13 5.053 12.670 -7.921 1.00 0.00 C ATOM 180 CD1 ILE A 13 5.571 15.385 -6.812 1.00 0.00 C ATOM 0 H ILE A 13 7.630 12.153 -5.813 1.00 0.00 H new ATOM 0 HA ILE A 13 7.216 11.384 -8.593 1.00 0.00 H new ATOM 0 HB ILE A 13 6.565 13.780 -8.917 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.676 13.820 -5.895 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.605 14.807 -7.007 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.313 13.467 -7.985 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.925 11.987 -8.761 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.919 12.125 -6.987 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.791 16.086 -6.006 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.546 15.920 -7.761 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.602 14.918 -6.633 1.00 0.00 H new ATOM 192 N TYR A 14 9.210 12.393 -9.476 1.00 0.00 N ATOM 193 CA TYR A 14 10.420 12.844 -10.086 1.00 0.00 C ATOM 194 C TYR A 14 10.199 14.230 -10.590 1.00 0.00 C ATOM 195 O TYR A 14 9.224 14.477 -11.272 1.00 0.00 O ATOM 196 CB TYR A 14 10.795 11.911 -11.259 1.00 0.00 C ATOM 197 CG TYR A 14 11.779 12.499 -12.256 1.00 0.00 C ATOM 198 CD1 TYR A 14 13.113 12.707 -11.931 1.00 0.00 C ATOM 199 CD2 TYR A 14 11.354 12.851 -13.531 1.00 0.00 C ATOM 200 CE1 TYR A 14 13.990 13.250 -12.850 1.00 0.00 C ATOM 201 CE2 TYR A 14 12.220 13.389 -14.449 1.00 0.00 C ATOM 202 CZ TYR A 14 13.534 13.590 -14.108 1.00 0.00 C ATOM 203 OH TYR A 14 14.403 14.135 -15.032 1.00 0.00 O ATOM 0 H TYR A 14 8.632 11.829 -10.099 1.00 0.00 H new ATOM 0 HA TYR A 14 11.234 12.833 -9.361 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.218 10.992 -10.852 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.884 11.635 -11.790 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.470 12.441 -10.947 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.321 12.698 -13.805 1.00 0.00 H new ATOM 0 HE1 TYR A 14 15.025 13.407 -12.586 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.869 13.653 -15.436 1.00 0.00 H new ATOM 0 HH TYR A 14 15.139 14.583 -14.565 1.00 0.00 H new ATOM 213 N ILE A 15 11.055 15.123 -10.227 1.00 0.00 N ATOM 214 CA ILE A 15 10.991 16.464 -10.708 1.00 0.00 C ATOM 215 C ILE A 15 12.303 16.724 -11.433 1.00 0.00 C ATOM 216 O ILE A 15 13.377 16.691 -10.824 1.00 0.00 O ATOM 217 CB ILE A 15 10.834 17.485 -9.554 1.00 0.00 C ATOM 218 CG1 ILE A 15 9.813 16.976 -8.521 1.00 0.00 C ATOM 219 CG2 ILE A 15 10.349 18.814 -10.136 1.00 0.00 C ATOM 220 CD1 ILE A 15 9.750 17.801 -7.252 1.00 0.00 C ATOM 0 H ILE A 15 11.826 14.944 -9.583 1.00 0.00 H new ATOM 0 HA ILE A 15 10.125 16.582 -11.359 1.00 0.00 H new ATOM 0 HB ILE A 15 11.795 17.617 -9.057 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.825 16.961 -8.981 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.059 15.947 -8.260 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.234 19.542 -9.333 1.00 0.00 H new ATOM 0 HG22 ILE A 15 11.077 19.182 -10.859 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.389 18.666 -10.631 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.007 17.375 -6.578 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.726 17.796 -6.766 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.472 18.826 -7.498 1.00 0.00 H new ATOM 232 N GLY A 16 12.236 16.923 -12.707 1.00 0.00 N ATOM 233 CA GLY A 16 13.426 17.112 -13.476 1.00 0.00 C ATOM 234 C GLY A 16 13.405 18.381 -14.267 1.00 0.00 C ATOM 235 O GLY A 16 12.351 19.007 -14.398 1.00 0.00 O ATOM 0 H GLY A 16 11.368 16.959 -13.242 1.00 0.00 H new ATOM 0 HA2 GLY A 16 14.288 17.119 -12.809 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.554 16.268 -14.154 1.00 0.00 H new ATOM 239 N ASN A 17 14.574 18.745 -14.788 1.00 0.00 N ATOM 240 CA ASN A 17 14.798 19.959 -15.596 1.00 0.00 C ATOM 241 C ASN A 17 14.634 21.208 -14.735 1.00 0.00 C ATOM 242 O ASN A 17 13.879 22.125 -15.055 1.00 0.00 O ATOM 243 CB ASN A 17 13.875 20.036 -16.836 1.00 0.00 C ATOM 244 CG ASN A 17 14.313 21.117 -17.826 1.00 0.00 C ATOM 245 OD1 ASN A 17 15.499 21.362 -18.010 1.00 0.00 O ATOM 246 ND2 ASN A 17 13.374 21.809 -18.407 1.00 0.00 N ATOM 0 H ASN A 17 15.422 18.193 -14.661 1.00 0.00 H new ATOM 0 HA ASN A 17 15.821 19.905 -15.968 1.00 0.00 H new ATOM 0 HB2 ASN A 17 13.866 19.069 -17.339 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.853 20.236 -16.513 1.00 0.00 H new ATOM 0 HD21 ASN A 17 13.619 22.576 -19.033 1.00 0.00 H new ATOM 0 HD22 ASN A 17 12.394 21.583 -18.236 1.00 0.00 H new ATOM 253 N LEU A 18 15.320 21.228 -13.623 1.00 0.00 N ATOM 254 CA LEU A 18 15.290 22.381 -12.760 1.00 0.00 C ATOM 255 C LEU A 18 16.459 23.259 -13.057 1.00 0.00 C ATOM 256 O LEU A 18 17.475 22.812 -13.586 1.00 0.00 O ATOM 257 CB LEU A 18 15.312 22.027 -11.262 1.00 0.00 C ATOM 258 CG LEU A 18 14.039 21.473 -10.614 1.00 0.00 C ATOM 259 CD1 LEU A 18 13.635 20.149 -11.199 1.00 0.00 C ATOM 260 CD2 LEU A 18 14.247 21.342 -9.127 1.00 0.00 C ATOM 0 H LEU A 18 15.906 20.461 -13.293 1.00 0.00 H new ATOM 0 HA LEU A 18 14.347 22.890 -12.961 1.00 0.00 H new ATOM 0 HB2 LEU A 18 16.106 21.296 -11.108 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.596 22.926 -10.715 1.00 0.00 H new ATOM 0 HG LEU A 18 13.229 22.174 -10.816 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.728 19.796 -10.708 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.449 20.265 -12.267 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.435 19.425 -11.047 1.00 0.00 H new ATOM 0 HD21 LEU A 18 13.341 20.948 -8.666 1.00 0.00 H new ATOM 0 HD22 LEU A 18 15.077 20.663 -8.934 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.473 22.321 -8.704 1.00 0.00 H new ATOM 272 N ASN A 19 16.304 24.487 -12.732 1.00 0.00 N ATOM 273 CA ASN A 19 17.329 25.480 -12.869 1.00 0.00 C ATOM 274 C ASN A 19 18.214 25.407 -11.619 1.00 0.00 C ATOM 275 O ASN A 19 17.711 25.150 -10.527 1.00 0.00 O ATOM 276 CB ASN A 19 16.629 26.852 -13.054 1.00 0.00 C ATOM 277 CG ASN A 19 17.523 28.088 -13.114 1.00 0.00 C ATOM 278 OD1 ASN A 19 18.567 28.180 -12.477 1.00 0.00 O ATOM 279 ND2 ASN A 19 17.109 29.049 -13.893 1.00 0.00 N ATOM 0 H ASN A 19 15.433 24.853 -12.348 1.00 0.00 H new ATOM 0 HA ASN A 19 17.973 25.322 -13.734 1.00 0.00 H new ATOM 0 HB2 ASN A 19 16.045 26.812 -13.974 1.00 0.00 H new ATOM 0 HB3 ASN A 19 15.923 26.985 -12.234 1.00 0.00 H new ATOM 0 HD21 ASN A 19 17.658 29.904 -13.984 1.00 0.00 H new ATOM 0 HD22 ASN A 19 16.237 28.945 -14.411 1.00 0.00 H new ATOM 286 N ARG A 20 19.509 25.606 -11.803 1.00 0.00 N ATOM 287 CA ARG A 20 20.548 25.501 -10.750 1.00 0.00 C ATOM 288 C ARG A 20 20.197 26.345 -9.490 1.00 0.00 C ATOM 289 O ARG A 20 20.510 25.958 -8.359 1.00 0.00 O ATOM 290 CB ARG A 20 21.883 25.995 -11.335 1.00 0.00 C ATOM 291 CG ARG A 20 23.126 25.668 -10.510 1.00 0.00 C ATOM 292 CD ARG A 20 23.486 24.190 -10.598 1.00 0.00 C ATOM 293 NE ARG A 20 23.806 23.778 -11.983 1.00 0.00 N ATOM 294 CZ ARG A 20 24.425 22.631 -12.336 1.00 0.00 C ATOM 295 NH1 ARG A 20 24.794 21.744 -11.418 1.00 0.00 N1+ ATOM 296 NH2 ARG A 20 24.665 22.380 -13.618 1.00 0.00 N ATOM 0 H ARG A 20 19.895 25.854 -12.714 1.00 0.00 H new ATOM 0 HA ARG A 20 20.613 24.459 -10.437 1.00 0.00 H new ATOM 0 HB2 ARG A 20 22.005 25.565 -12.329 1.00 0.00 H new ATOM 0 HB3 ARG A 20 21.826 27.076 -11.461 1.00 0.00 H new ATOM 0 HG2 ARG A 20 23.965 26.269 -10.861 1.00 0.00 H new ATOM 0 HG3 ARG A 20 22.954 25.940 -9.469 1.00 0.00 H new ATOM 0 HD2 ARG A 20 24.340 23.986 -9.953 1.00 0.00 H new ATOM 0 HD3 ARG A 20 22.655 23.592 -10.225 1.00 0.00 H new ATOM 0 HE ARG A 20 23.536 24.414 -12.734 1.00 0.00 H new ATOM 0 HH11 ARG A 20 24.611 21.925 -10.431 1.00 0.00 H new ATOM 0 HH12 ARG A 20 25.261 20.882 -11.700 1.00 0.00 H new ATOM 0 HH21 ARG A 20 24.382 23.052 -14.331 1.00 0.00 H new ATOM 0 HH22 ARG A 20 25.132 21.515 -13.890 1.00 0.00 H new ATOM 310 N GLU A 21 19.525 27.461 -9.711 1.00 0.00 N ATOM 311 CA GLU A 21 19.142 28.385 -8.720 1.00 0.00 C ATOM 312 C GLU A 21 18.039 27.805 -7.796 1.00 0.00 C ATOM 313 O GLU A 21 17.954 28.148 -6.616 1.00 0.00 O ATOM 314 CB GLU A 21 18.617 29.553 -9.516 1.00 0.00 C ATOM 315 CG GLU A 21 17.996 30.636 -8.754 1.00 0.00 C ATOM 316 CD GLU A 21 18.977 31.500 -8.008 1.00 0.00 C ATOM 317 OE1 GLU A 21 19.308 31.195 -6.846 1.00 0.00 O1- ATOM 318 OE2 GLU A 21 19.418 32.512 -8.571 1.00 0.00 O ATOM 0 H GLU A 21 19.227 27.739 -10.646 1.00 0.00 H new ATOM 0 HA GLU A 21 19.964 28.652 -8.056 1.00 0.00 H new ATOM 0 HB2 GLU A 21 19.442 29.971 -10.093 1.00 0.00 H new ATOM 0 HB3 GLU A 21 17.886 29.177 -10.232 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.421 31.263 -9.436 1.00 0.00 H new ATOM 0 HG3 GLU A 21 17.290 30.208 -8.042 1.00 0.00 H new ATOM 325 N LEU A 22 17.231 26.922 -8.334 1.00 0.00 N ATOM 326 CA LEU A 22 16.081 26.395 -7.619 1.00 0.00 C ATOM 327 C LEU A 22 16.493 25.371 -6.553 1.00 0.00 C ATOM 328 O LEU A 22 17.115 24.344 -6.850 1.00 0.00 O ATOM 329 CB LEU A 22 15.090 25.796 -8.635 1.00 0.00 C ATOM 330 CG LEU A 22 14.658 26.774 -9.749 1.00 0.00 C ATOM 331 CD1 LEU A 22 13.743 26.151 -10.764 1.00 0.00 C ATOM 332 CD2 LEU A 22 13.993 27.970 -9.169 1.00 0.00 C ATOM 0 H LEU A 22 17.347 26.547 -9.275 1.00 0.00 H new ATOM 0 HA LEU A 22 15.592 27.209 -7.083 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.544 24.918 -9.094 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.202 25.455 -8.102 1.00 0.00 H new ATOM 0 HG LEU A 22 15.575 27.061 -10.263 1.00 0.00 H new ATOM 0 HD11 LEU A 22 13.478 26.892 -11.518 1.00 0.00 H new ATOM 0 HD12 LEU A 22 14.248 25.311 -11.242 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.839 25.797 -10.270 1.00 0.00 H new ATOM 0 HD21 LEU A 22 13.697 28.646 -9.971 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.110 27.660 -8.610 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.684 28.482 -8.500 1.00 0.00 H new ATOM 344 N THR A 23 16.180 25.697 -5.311 1.00 0.00 N ATOM 345 CA THR A 23 16.451 24.838 -4.171 1.00 0.00 C ATOM 346 C THR A 23 15.131 24.295 -3.554 1.00 0.00 C ATOM 347 O THR A 23 14.065 24.683 -3.968 1.00 0.00 O ATOM 348 CB THR A 23 17.378 25.546 -3.109 1.00 0.00 C ATOM 349 OG1 THR A 23 17.530 24.768 -1.920 1.00 0.00 O ATOM 350 CG2 THR A 23 16.891 26.920 -2.734 1.00 0.00 C ATOM 0 H THR A 23 15.725 26.576 -5.063 1.00 0.00 H new ATOM 0 HA THR A 23 17.011 23.974 -4.528 1.00 0.00 H new ATOM 0 HB THR A 23 18.346 25.643 -3.600 1.00 0.00 H new ATOM 0 HG1 THR A 23 18.408 24.946 -1.522 1.00 0.00 H new ATOM 0 HG21 THR A 23 17.568 27.358 -2.001 1.00 0.00 H new ATOM 0 HG22 THR A 23 16.861 27.551 -3.623 1.00 0.00 H new ATOM 0 HG23 THR A 23 15.891 26.848 -2.307 1.00 0.00 H new ATOM 358 N GLU A 24 15.246 23.448 -2.538 1.00 0.00 N ATOM 359 CA GLU A 24 14.125 22.738 -1.859 1.00 0.00 C ATOM 360 C GLU A 24 12.925 23.642 -1.559 1.00 0.00 C ATOM 361 O GLU A 24 11.791 23.311 -1.891 1.00 0.00 O ATOM 362 CB GLU A 24 14.640 22.212 -0.547 1.00 0.00 C ATOM 363 CG GLU A 24 15.829 21.321 -0.686 1.00 0.00 C ATOM 364 CD GLU A 24 16.615 21.277 0.565 1.00 0.00 C ATOM 365 OE1 GLU A 24 17.256 22.293 0.877 1.00 0.00 O1- ATOM 366 OE2 GLU A 24 16.628 20.253 1.239 1.00 0.00 O ATOM 0 H GLU A 24 16.153 23.215 -2.134 1.00 0.00 H new ATOM 0 HA GLU A 24 13.783 21.951 -2.531 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.900 23.053 0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.842 21.664 -0.047 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.503 20.315 -0.949 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.459 21.676 -1.502 1.00 0.00 H new ATOM 373 N GLY A 25 13.201 24.793 -0.952 1.00 0.00 N ATOM 374 CA GLY A 25 12.141 25.721 -0.547 1.00 0.00 C ATOM 375 C GLY A 25 11.388 26.285 -1.724 1.00 0.00 C ATOM 376 O GLY A 25 10.203 26.621 -1.625 1.00 0.00 O ATOM 0 H GLY A 25 14.145 25.108 -0.729 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.444 25.205 0.113 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.578 26.539 0.027 1.00 0.00 H new ATOM 380 N ASP A 26 12.064 26.362 -2.833 1.00 0.00 N ATOM 381 CA ASP A 26 11.503 26.851 -4.058 1.00 0.00 C ATOM 382 C ASP A 26 10.487 25.849 -4.565 1.00 0.00 C ATOM 383 O ASP A 26 9.321 26.197 -4.805 1.00 0.00 O ATOM 384 CB ASP A 26 12.617 27.054 -5.053 1.00 0.00 C ATOM 385 CG ASP A 26 12.148 27.647 -6.299 1.00 0.00 C ATOM 386 OD1 ASP A 26 12.134 28.889 -6.375 1.00 0.00 O1- ATOM 387 OD2 ASP A 26 11.814 26.909 -7.211 1.00 0.00 O ATOM 0 H ASP A 26 13.041 26.081 -2.912 1.00 0.00 H new ATOM 0 HA ASP A 26 10.998 27.805 -3.904 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.381 27.696 -4.613 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.090 26.095 -5.266 1.00 0.00 H new ATOM 392 N ILE A 27 10.916 24.580 -4.630 1.00 0.00 N ATOM 393 CA ILE A 27 10.043 23.465 -5.003 1.00 0.00 C ATOM 394 C ILE A 27 8.832 23.430 -4.074 1.00 0.00 C ATOM 395 O ILE A 27 7.703 23.238 -4.519 1.00 0.00 O ATOM 396 CB ILE A 27 10.779 22.054 -4.982 1.00 0.00 C ATOM 397 CG1 ILE A 27 11.776 21.884 -6.144 1.00 0.00 C ATOM 398 CG2 ILE A 27 9.799 20.889 -4.985 1.00 0.00 C ATOM 399 CD1 ILE A 27 13.024 22.710 -6.045 1.00 0.00 C ATOM 0 H ILE A 27 11.876 24.302 -4.425 1.00 0.00 H new ATOM 0 HA ILE A 27 9.731 23.639 -6.033 1.00 0.00 H new ATOM 0 HB ILE A 27 11.337 22.041 -4.046 1.00 0.00 H new ATOM 0 HG12 ILE A 27 12.060 20.833 -6.207 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.268 22.133 -7.076 1.00 0.00 H new ATOM 0 HG21 ILE A 27 10.351 19.949 -4.970 1.00 0.00 H new ATOM 0 HG22 ILE A 27 9.160 20.949 -4.104 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.183 20.934 -5.883 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.658 22.517 -6.911 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.759 23.767 -6.017 1.00 0.00 H new ATOM 0 HD13 ILE A 27 13.563 22.447 -5.135 1.00 0.00 H new ATOM 411 N LEU A 28 9.071 23.660 -2.791 1.00 0.00 N ATOM 412 CA LEU A 28 8.006 23.699 -1.801 1.00 0.00 C ATOM 413 C LEU A 28 7.000 24.781 -2.132 1.00 0.00 C ATOM 414 O LEU A 28 5.800 24.533 -2.130 1.00 0.00 O ATOM 415 CB LEU A 28 8.555 23.939 -0.400 1.00 0.00 C ATOM 416 CG LEU A 28 9.487 22.876 0.154 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.929 23.248 1.547 1.00 0.00 C ATOM 418 CD2 LEU A 28 8.809 21.524 0.154 1.00 0.00 C ATOM 0 H LEU A 28 10.003 23.824 -2.409 1.00 0.00 H new ATOM 0 HA LEU A 28 7.514 22.727 -1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.085 24.891 -0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.712 24.044 0.283 1.00 0.00 H new ATOM 0 HG LEU A 28 10.367 22.815 -0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.597 22.479 1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.453 24.203 1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.057 23.331 2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.492 20.775 0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.913 21.566 0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.533 21.255 -0.866 1.00 0.00 H new ATOM 430 N THR A 29 7.490 25.952 -2.462 1.00 0.00 N ATOM 431 CA THR A 29 6.651 27.088 -2.780 1.00 0.00 C ATOM 432 C THR A 29 5.801 26.808 -4.055 1.00 0.00 C ATOM 433 O THR A 29 4.686 27.333 -4.210 1.00 0.00 O ATOM 434 CB THR A 29 7.526 28.368 -2.940 1.00 0.00 C ATOM 435 OG1 THR A 29 8.293 28.561 -1.732 1.00 0.00 O ATOM 436 CG2 THR A 29 6.668 29.610 -3.176 1.00 0.00 C ATOM 0 H THR A 29 8.490 26.147 -2.518 1.00 0.00 H new ATOM 0 HA THR A 29 5.954 27.256 -1.959 1.00 0.00 H new ATOM 0 HB THR A 29 8.177 28.230 -3.803 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.955 27.844 -1.647 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.312 30.483 -3.283 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.081 29.479 -4.085 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.998 29.756 -2.329 1.00 0.00 H new ATOM 444 N VAL A 30 6.318 25.974 -4.941 1.00 0.00 N ATOM 445 CA VAL A 30 5.591 25.577 -6.136 1.00 0.00 C ATOM 446 C VAL A 30 4.573 24.473 -5.814 1.00 0.00 C ATOM 447 O VAL A 30 3.392 24.622 -6.059 1.00 0.00 O ATOM 448 CB VAL A 30 6.539 25.084 -7.265 1.00 0.00 C ATOM 449 CG1 VAL A 30 5.761 24.759 -8.533 1.00 0.00 C ATOM 450 CG2 VAL A 30 7.597 26.112 -7.562 1.00 0.00 C ATOM 0 H VAL A 30 7.244 25.556 -4.855 1.00 0.00 H new ATOM 0 HA VAL A 30 5.070 26.466 -6.492 1.00 0.00 H new ATOM 0 HB VAL A 30 7.023 24.173 -6.913 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.450 24.417 -9.305 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.033 23.975 -8.323 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.242 25.652 -8.880 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.248 25.745 -8.355 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.123 27.040 -7.882 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.187 26.297 -6.664 1.00 0.00 H new ATOM 460 N PHE A 31 5.045 23.401 -5.211 1.00 0.00 N ATOM 461 CA PHE A 31 4.236 22.206 -4.952 1.00 0.00 C ATOM 462 C PHE A 31 3.188 22.390 -3.859 1.00 0.00 C ATOM 463 O PHE A 31 2.278 21.579 -3.729 1.00 0.00 O ATOM 464 CB PHE A 31 5.121 20.957 -4.728 1.00 0.00 C ATOM 465 CG PHE A 31 5.778 20.455 -6.004 1.00 0.00 C ATOM 466 CD1 PHE A 31 6.646 21.264 -6.721 1.00 0.00 C ATOM 467 CD2 PHE A 31 5.508 19.185 -6.496 1.00 0.00 C ATOM 468 CE1 PHE A 31 7.224 20.836 -7.892 1.00 0.00 C ATOM 469 CE2 PHE A 31 6.094 18.752 -7.670 1.00 0.00 C ATOM 470 CZ PHE A 31 6.947 19.581 -8.369 1.00 0.00 C ATOM 0 H PHE A 31 6.007 23.324 -4.881 1.00 0.00 H new ATOM 0 HA PHE A 31 3.657 22.036 -5.860 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.894 21.193 -3.997 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.512 20.160 -4.302 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.873 22.253 -6.351 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.836 18.532 -5.958 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.894 21.486 -8.435 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.883 17.760 -8.042 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.396 19.242 -9.291 1.00 0.00 H new ATOM 480 N SER A 32 3.290 23.474 -3.106 1.00 0.00 N ATOM 481 CA SER A 32 2.277 23.803 -2.106 1.00 0.00 C ATOM 482 C SER A 32 0.975 24.278 -2.772 1.00 0.00 C ATOM 483 O SER A 32 -0.027 24.474 -2.105 1.00 0.00 O ATOM 484 CB SER A 32 2.779 24.841 -1.102 1.00 0.00 C ATOM 485 OG SER A 32 3.882 24.358 -0.348 1.00 0.00 O ATOM 0 H SER A 32 4.060 24.141 -3.165 1.00 0.00 H new ATOM 0 HA SER A 32 2.067 22.888 -1.553 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.071 25.748 -1.632 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.969 25.114 -0.426 1.00 0.00 H new ATOM 0 HG SER A 32 4.592 24.065 -0.957 1.00 0.00 H new ATOM 491 N GLU A 33 1.036 24.484 -4.085 1.00 0.00 N ATOM 492 CA GLU A 33 -0.098 24.900 -4.912 1.00 0.00 C ATOM 493 C GLU A 33 -1.322 24.017 -4.630 1.00 0.00 C ATOM 494 O GLU A 33 -2.402 24.490 -4.272 1.00 0.00 O ATOM 495 CB GLU A 33 0.302 24.705 -6.379 1.00 0.00 C ATOM 496 CG GLU A 33 -0.687 25.222 -7.395 1.00 0.00 C ATOM 497 CD GLU A 33 -0.796 26.708 -7.342 1.00 0.00 C ATOM 498 OE1 GLU A 33 0.199 27.379 -7.650 1.00 0.00 O ATOM 499 OE2 GLU A 33 -1.862 27.224 -7.036 1.00 0.00 O1- ATOM 0 H GLU A 33 1.897 24.364 -4.619 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.349 25.938 -4.693 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.259 25.199 -6.545 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.457 23.641 -6.557 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.379 24.914 -8.394 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.665 24.777 -7.212 1.00 0.00 H new ATOM 506 N TYR A 34 -1.117 22.726 -4.752 1.00 0.00 N ATOM 507 CA TYR A 34 -2.202 21.800 -4.637 1.00 0.00 C ATOM 508 C TYR A 34 -2.343 21.229 -3.233 1.00 0.00 C ATOM 509 O TYR A 34 -3.451 20.953 -2.801 1.00 0.00 O ATOM 510 CB TYR A 34 -2.061 20.671 -5.679 1.00 0.00 C ATOM 511 CG TYR A 34 -0.758 19.890 -5.591 1.00 0.00 C ATOM 512 CD1 TYR A 34 -0.646 18.795 -4.758 1.00 0.00 C ATOM 513 CD2 TYR A 34 0.358 20.265 -6.328 1.00 0.00 C ATOM 514 CE1 TYR A 34 0.530 18.095 -4.652 1.00 0.00 C ATOM 515 CE2 TYR A 34 1.539 19.561 -6.231 1.00 0.00 C ATOM 516 CZ TYR A 34 1.614 18.475 -5.384 1.00 0.00 C ATOM 517 OH TYR A 34 2.782 17.778 -5.259 1.00 0.00 O ATOM 0 H TYR A 34 -0.207 22.301 -4.931 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.118 22.356 -4.838 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.894 19.978 -5.560 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.145 21.102 -6.677 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.501 18.483 -4.178 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.300 21.120 -6.986 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.596 17.245 -3.989 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.399 19.857 -6.814 1.00 0.00 H new ATOM 0 HH TYR A 34 2.584 16.845 -5.035 1.00 0.00 H new ATOM 527 N GLY A 35 -1.242 21.094 -2.517 1.00 0.00 N ATOM 528 CA GLY A 35 -1.291 20.488 -1.213 1.00 0.00 C ATOM 529 C GLY A 35 -0.070 20.794 -0.386 1.00 0.00 C ATOM 530 O GLY A 35 0.806 21.529 -0.821 1.00 0.00 O ATOM 0 H GLY A 35 -0.315 21.394 -2.818 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.179 20.838 -0.687 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.390 19.408 -1.322 1.00 0.00 H new ATOM 534 N VAL A 36 -0.012 20.212 0.790 1.00 0.00 N ATOM 535 CA VAL A 36 1.059 20.453 1.755 1.00 0.00 C ATOM 536 C VAL A 36 2.241 19.514 1.467 1.00 0.00 C ATOM 537 O VAL A 36 2.048 18.330 1.336 1.00 0.00 O ATOM 538 CB VAL A 36 0.548 20.176 3.204 1.00 0.00 C ATOM 539 CG1 VAL A 36 1.588 20.551 4.245 1.00 0.00 C ATOM 540 CG2 VAL A 36 -0.770 20.887 3.481 1.00 0.00 C ATOM 0 H VAL A 36 -0.713 19.547 1.116 1.00 0.00 H new ATOM 0 HA VAL A 36 1.376 21.492 1.667 1.00 0.00 H new ATOM 0 HB VAL A 36 0.371 19.103 3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.197 20.344 5.241 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.493 19.966 4.082 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.822 21.612 4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.093 20.670 4.499 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.635 21.962 3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.526 20.538 2.778 1.00 0.00 H new ATOM 550 N PRO A 37 3.465 20.023 1.357 1.00 0.00 N ATOM 551 CA PRO A 37 4.627 19.169 1.113 1.00 0.00 C ATOM 552 C PRO A 37 4.966 18.286 2.329 1.00 0.00 C ATOM 553 O PRO A 37 4.946 18.745 3.473 1.00 0.00 O ATOM 554 CB PRO A 37 5.747 20.155 0.838 1.00 0.00 C ATOM 555 CG PRO A 37 5.325 21.419 1.514 1.00 0.00 C ATOM 556 CD PRO A 37 3.826 21.448 1.452 1.00 0.00 C ATOM 0 HA PRO A 37 4.454 18.471 0.294 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.696 19.794 1.234 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.885 20.307 -0.233 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.672 21.442 2.547 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.752 22.289 1.014 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.395 21.914 2.338 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.470 22.012 0.590 1.00 0.00 H new ATOM 564 N VAL A 38 5.263 17.030 2.066 1.00 0.00 N ATOM 565 CA VAL A 38 5.554 16.068 3.125 1.00 0.00 C ATOM 566 C VAL A 38 7.039 15.726 3.144 1.00 0.00 C ATOM 567 O VAL A 38 7.735 15.939 4.139 1.00 0.00 O ATOM 568 CB VAL A 38 4.733 14.773 2.906 1.00 0.00 C ATOM 569 CG1 VAL A 38 5.001 13.746 3.990 1.00 0.00 C ATOM 570 CG2 VAL A 38 3.255 15.090 2.824 1.00 0.00 C ATOM 0 H VAL A 38 5.311 16.643 1.123 1.00 0.00 H new ATOM 0 HA VAL A 38 5.280 16.517 4.080 1.00 0.00 H new ATOM 0 HB VAL A 38 5.052 14.338 1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.406 12.853 3.800 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.059 13.484 3.990 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.731 14.162 4.960 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.693 14.169 2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.932 15.561 3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.074 15.769 1.991 1.00 0.00 H new ATOM 580 N ASP A 39 7.507 15.218 2.038 1.00 0.00 N ATOM 581 CA ASP A 39 8.896 14.820 1.871 1.00 0.00 C ATOM 582 C ASP A 39 9.395 15.484 0.639 1.00 0.00 C ATOM 583 O ASP A 39 8.755 15.373 -0.413 1.00 0.00 O ATOM 584 CB ASP A 39 9.016 13.298 1.643 1.00 0.00 C ATOM 585 CG ASP A 39 8.801 12.394 2.837 1.00 0.00 C ATOM 586 OD1 ASP A 39 7.663 12.266 3.286 1.00 0.00 O ATOM 587 OD2 ASP A 39 9.767 11.707 3.281 1.00 0.00 O1- ATOM 0 H ASP A 39 6.934 15.062 1.209 1.00 0.00 H new ATOM 0 HA ASP A 39 9.457 15.095 2.764 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.298 13.015 0.873 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.009 13.095 1.242 1.00 0.00 H new ATOM 592 N VAL A 40 10.480 16.183 0.738 1.00 0.00 N ATOM 593 CA VAL A 40 11.078 16.785 -0.416 1.00 0.00 C ATOM 594 C VAL A 40 12.569 16.568 -0.349 1.00 0.00 C ATOM 595 O VAL A 40 13.155 16.564 0.733 1.00 0.00 O ATOM 596 CB VAL A 40 10.764 18.318 -0.547 1.00 0.00 C ATOM 597 CG1 VAL A 40 11.444 19.139 0.541 1.00 0.00 C ATOM 598 CG2 VAL A 40 11.131 18.843 -1.931 1.00 0.00 C ATOM 0 H VAL A 40 10.976 16.353 1.613 1.00 0.00 H new ATOM 0 HA VAL A 40 10.650 16.310 -1.299 1.00 0.00 H new ATOM 0 HB VAL A 40 9.688 18.431 -0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.198 20.193 0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.098 18.805 1.519 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.524 19.008 0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.901 19.907 -1.989 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.196 18.691 -2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.558 18.306 -2.687 1.00 0.00 H new ATOM 608 N ILE A 41 13.151 16.305 -1.466 1.00 0.00 N ATOM 609 CA ILE A 41 14.566 16.183 -1.581 1.00 0.00 C ATOM 610 C ILE A 41 15.004 16.780 -2.866 1.00 0.00 C ATOM 611 O ILE A 41 14.404 16.556 -3.917 1.00 0.00 O ATOM 612 CB ILE A 41 15.169 14.734 -1.432 1.00 0.00 C ATOM 613 CG1 ILE A 41 14.430 13.658 -2.265 1.00 0.00 C ATOM 614 CG2 ILE A 41 15.318 14.320 0.022 1.00 0.00 C ATOM 615 CD1 ILE A 41 13.062 13.221 -1.736 1.00 0.00 C ATOM 0 H ILE A 41 12.650 16.166 -2.343 1.00 0.00 H new ATOM 0 HA ILE A 41 14.959 16.721 -0.718 1.00 0.00 H new ATOM 0 HB ILE A 41 16.170 14.797 -1.859 1.00 0.00 H new ATOM 0 HG12 ILE A 41 14.301 14.037 -3.279 1.00 0.00 H new ATOM 0 HG13 ILE A 41 15.069 12.778 -2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 41 15.737 13.315 0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.983 15.017 0.532 1.00 0.00 H new ATOM 0 HG23 ILE A 41 14.341 14.331 0.505 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.640 12.466 -2.399 1.00 0.00 H new ATOM 0 HD12 ILE A 41 13.175 12.803 -0.736 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.395 14.082 -1.696 1.00 0.00 H new ATOM 627 N LEU A 42 16.000 17.559 -2.781 1.00 0.00 N ATOM 628 CA LEU A 42 16.561 18.205 -3.916 1.00 0.00 C ATOM 629 C LEU A 42 17.726 17.333 -4.344 1.00 0.00 C ATOM 630 O LEU A 42 18.337 16.682 -3.505 1.00 0.00 O ATOM 631 CB LEU A 42 16.976 19.647 -3.476 1.00 0.00 C ATOM 632 CG LEU A 42 17.506 20.675 -4.509 1.00 0.00 C ATOM 633 CD1 LEU A 42 18.927 20.386 -4.925 1.00 0.00 C ATOM 634 CD2 LEU A 42 16.592 20.761 -5.724 1.00 0.00 C ATOM 0 H LEU A 42 16.470 17.780 -1.903 1.00 0.00 H new ATOM 0 HA LEU A 42 15.883 18.319 -4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 42 16.107 20.097 -2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 42 17.744 19.539 -2.710 1.00 0.00 H new ATOM 0 HG LEU A 42 17.506 21.646 -4.013 1.00 0.00 H new ATOM 0 HD11 LEU A 42 19.253 21.133 -5.649 1.00 0.00 H new ATOM 0 HD12 LEU A 42 19.576 20.421 -4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 42 18.980 19.395 -5.377 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.991 21.490 -6.429 1.00 0.00 H new ATOM 0 HD22 LEU A 42 16.534 19.785 -6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 42 15.595 21.070 -5.408 1.00 0.00 H new ATOM 646 N SER A 43 17.989 17.237 -5.607 1.00 0.00 N ATOM 647 CA SER A 43 19.095 16.450 -6.041 1.00 0.00 C ATOM 648 C SER A 43 20.295 17.362 -6.135 1.00 0.00 C ATOM 649 O SER A 43 20.374 18.233 -7.002 1.00 0.00 O ATOM 650 CB SER A 43 18.805 15.754 -7.375 1.00 0.00 C ATOM 651 OG SER A 43 19.787 14.764 -7.685 1.00 0.00 O ATOM 0 H SER A 43 17.457 17.690 -6.350 1.00 0.00 H new ATOM 0 HA SER A 43 19.289 15.651 -5.326 1.00 0.00 H new ATOM 0 HB2 SER A 43 17.820 15.288 -7.335 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.774 16.496 -8.172 1.00 0.00 H new ATOM 0 HG SER A 43 19.567 14.342 -8.541 1.00 0.00 H new ATOM 657 N ARG A 44 21.165 17.208 -5.193 1.00 0.00 N ATOM 658 CA ARG A 44 22.383 17.972 -5.084 1.00 0.00 C ATOM 659 C ARG A 44 23.467 17.004 -4.763 1.00 0.00 C ATOM 660 O ARG A 44 23.171 15.919 -4.223 1.00 0.00 O ATOM 661 CB ARG A 44 22.326 19.091 -3.977 1.00 0.00 C ATOM 662 CG ARG A 44 22.086 18.602 -2.550 1.00 0.00 C ATOM 663 CD ARG A 44 20.664 18.151 -2.387 1.00 0.00 C ATOM 664 NE ARG A 44 20.415 17.323 -1.219 1.00 0.00 N ATOM 665 CZ ARG A 44 20.601 15.969 -1.185 1.00 0.00 C ATOM 666 NH1 ARG A 44 21.459 15.365 -2.031 1.00 0.00 N1+ ATOM 667 NH2 ARG A 44 19.991 15.236 -0.264 1.00 0.00 N ATOM 0 H ARG A 44 21.052 16.523 -4.446 1.00 0.00 H new ATOM 0 HA ARG A 44 22.553 18.496 -6.024 1.00 0.00 H new ATOM 0 HB2 ARG A 44 23.265 19.645 -3.998 1.00 0.00 H new ATOM 0 HB3 ARG A 44 21.535 19.794 -4.238 1.00 0.00 H new ATOM 0 HG2 ARG A 44 22.764 17.780 -2.321 1.00 0.00 H new ATOM 0 HG3 ARG A 44 22.305 19.402 -1.842 1.00 0.00 H new ATOM 0 HD2 ARG A 44 20.023 19.031 -2.334 1.00 0.00 H new ATOM 0 HD3 ARG A 44 20.370 17.596 -3.278 1.00 0.00 H new ATOM 0 HE ARG A 44 20.080 17.781 -0.371 1.00 0.00 H new ATOM 0 HH11 ARG A 44 21.981 15.919 -2.710 1.00 0.00 H new ATOM 0 HH12 ARG A 44 21.586 14.354 -1.993 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.381 15.682 0.421 1.00 0.00 H new ATOM 0 HH22 ARG A 44 20.131 14.226 -0.241 1.00 0.00 H new ATOM 681 N ASP A 45 24.674 17.341 -5.097 1.00 0.00 N ATOM 682 CA ASP A 45 25.805 16.478 -4.824 1.00 0.00 C ATOM 683 C ASP A 45 26.027 16.358 -3.319 1.00 0.00 C ATOM 684 O ASP A 45 25.985 17.351 -2.606 1.00 0.00 O ATOM 685 CB ASP A 45 27.058 16.996 -5.502 1.00 0.00 C ATOM 686 CG ASP A 45 28.218 16.072 -5.285 1.00 0.00 C ATOM 687 OD1 ASP A 45 28.386 15.107 -6.057 1.00 0.00 O1- ATOM 688 OD2 ASP A 45 28.957 16.265 -4.326 1.00 0.00 O ATOM 0 H ASP A 45 24.913 18.215 -5.565 1.00 0.00 H new ATOM 0 HA ASP A 45 25.585 15.490 -5.227 1.00 0.00 H new ATOM 0 HB2 ASP A 45 26.875 17.109 -6.571 1.00 0.00 H new ATOM 0 HB3 ASP A 45 27.301 17.985 -5.114 1.00 0.00 H new ATOM 693 N GLU A 46 26.252 15.150 -2.855 1.00 0.00 N ATOM 694 CA GLU A 46 26.397 14.856 -1.429 1.00 0.00 C ATOM 695 C GLU A 46 27.694 15.450 -0.834 1.00 0.00 C ATOM 696 O GLU A 46 27.776 15.699 0.376 1.00 0.00 O ATOM 697 CB GLU A 46 26.377 13.331 -1.235 1.00 0.00 C ATOM 698 CG GLU A 46 26.315 12.848 0.208 1.00 0.00 C ATOM 699 CD GLU A 46 26.375 11.342 0.311 1.00 0.00 C ATOM 700 OE1 GLU A 46 25.423 10.666 -0.099 1.00 0.00 O ATOM 701 OE2 GLU A 46 27.388 10.801 0.825 1.00 0.00 O1- ATOM 0 H GLU A 46 26.342 14.329 -3.454 1.00 0.00 H new ATOM 0 HA GLU A 46 25.566 15.321 -0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 46 25.518 12.927 -1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 46 27.269 12.913 -1.701 1.00 0.00 H new ATOM 0 HG2 GLU A 46 27.142 13.282 0.770 1.00 0.00 H new ATOM 0 HG3 GLU A 46 25.394 13.205 0.669 1.00 0.00 H new ATOM 708 N ASN A 47 28.668 15.717 -1.673 1.00 0.00 N ATOM 709 CA ASN A 47 29.992 16.137 -1.216 1.00 0.00 C ATOM 710 C ASN A 47 30.075 17.632 -1.082 1.00 0.00 C ATOM 711 O ASN A 47 30.510 18.142 -0.061 1.00 0.00 O ATOM 712 CB ASN A 47 31.080 15.701 -2.205 1.00 0.00 C ATOM 713 CG ASN A 47 31.049 14.234 -2.539 1.00 0.00 C ATOM 714 OD1 ASN A 47 31.685 13.412 -1.882 1.00 0.00 O ATOM 715 ND2 ASN A 47 30.306 13.888 -3.563 1.00 0.00 N ATOM 0 H ASN A 47 28.576 15.653 -2.687 1.00 0.00 H new ATOM 0 HA ASN A 47 30.149 15.665 -0.246 1.00 0.00 H new ATOM 0 HB2 ASN A 47 30.972 16.275 -3.125 1.00 0.00 H new ATOM 0 HB3 ASN A 47 32.056 15.948 -1.788 1.00 0.00 H new ATOM 0 HD21 ASN A 47 30.242 12.908 -3.838 1.00 0.00 H new ATOM 0 HD22 ASN A 47 29.793 14.599 -4.084 1.00 0.00 H new ATOM 722 N THR A 48 29.663 18.330 -2.113 1.00 0.00 N ATOM 723 CA THR A 48 29.811 19.772 -2.145 1.00 0.00 C ATOM 724 C THR A 48 28.469 20.498 -1.966 1.00 0.00 C ATOM 725 O THR A 48 28.433 21.728 -1.820 1.00 0.00 O ATOM 726 CB THR A 48 30.531 20.222 -3.452 1.00 0.00 C ATOM 727 OG1 THR A 48 30.676 21.647 -3.522 1.00 0.00 O ATOM 728 CG2 THR A 48 29.799 19.715 -4.674 1.00 0.00 C ATOM 0 H THR A 48 29.223 17.928 -2.941 1.00 0.00 H new ATOM 0 HA THR A 48 30.434 20.055 -1.296 1.00 0.00 H new ATOM 0 HB THR A 48 31.529 19.785 -3.430 1.00 0.00 H new ATOM 0 HG1 THR A 48 29.988 22.073 -2.970 1.00 0.00 H new ATOM 0 HG21 THR A 48 30.321 20.042 -5.573 1.00 0.00 H new ATOM 0 HG22 THR A 48 29.764 18.626 -4.651 1.00 0.00 H new ATOM 0 HG23 THR A 48 28.783 20.111 -4.680 1.00 0.00 H new ATOM 736 N GLY A 49 27.383 19.745 -1.990 1.00 0.00 N ATOM 737 CA GLY A 49 26.063 20.310 -1.781 1.00 0.00 C ATOM 738 C GLY A 49 25.619 21.251 -2.884 1.00 0.00 C ATOM 739 O GLY A 49 24.930 22.231 -2.618 1.00 0.00 O ATOM 0 H GLY A 49 27.391 18.738 -2.153 1.00 0.00 H new ATOM 0 HA2 GLY A 49 25.340 19.499 -1.695 1.00 0.00 H new ATOM 0 HA3 GLY A 49 26.054 20.847 -0.832 1.00 0.00 H new ATOM 743 N GLU A 50 26.006 20.968 -4.110 1.00 0.00 N ATOM 744 CA GLU A 50 25.606 21.813 -5.213 1.00 0.00 C ATOM 745 C GLU A 50 24.434 21.184 -5.965 1.00 0.00 C ATOM 746 O GLU A 50 24.388 19.960 -6.119 1.00 0.00 O ATOM 747 CB GLU A 50 26.825 22.192 -6.101 1.00 0.00 C ATOM 748 CG GLU A 50 27.532 21.070 -6.865 1.00 0.00 C ATOM 749 CD GLU A 50 26.817 20.585 -8.094 1.00 0.00 C ATOM 750 OE1 GLU A 50 26.449 21.428 -8.954 1.00 0.00 O ATOM 751 OE2 GLU A 50 26.717 19.363 -8.270 1.00 0.00 O1- ATOM 0 H GLU A 50 26.589 20.171 -4.365 1.00 0.00 H new ATOM 0 HA GLU A 50 25.235 22.765 -4.833 1.00 0.00 H new ATOM 0 HB2 GLU A 50 26.492 22.933 -6.828 1.00 0.00 H new ATOM 0 HB3 GLU A 50 27.563 22.680 -5.465 1.00 0.00 H new ATOM 0 HG2 GLU A 50 28.524 21.418 -7.154 1.00 0.00 H new ATOM 0 HG3 GLU A 50 27.675 20.226 -6.190 1.00 0.00 H new ATOM 758 N SER A 51 23.471 22.007 -6.351 1.00 0.00 N ATOM 759 CA SER A 51 22.243 21.561 -7.006 1.00 0.00 C ATOM 760 C SER A 51 22.525 20.949 -8.379 1.00 0.00 C ATOM 761 O SER A 51 23.328 21.467 -9.142 1.00 0.00 O ATOM 762 CB SER A 51 21.251 22.744 -7.134 1.00 0.00 C ATOM 763 OG SER A 51 20.003 22.346 -7.712 1.00 0.00 O ATOM 0 H SER A 51 23.518 23.017 -6.218 1.00 0.00 H new ATOM 0 HA SER A 51 21.796 20.783 -6.387 1.00 0.00 H new ATOM 0 HB2 SER A 51 21.072 23.173 -6.148 1.00 0.00 H new ATOM 0 HB3 SER A 51 21.699 23.527 -7.746 1.00 0.00 H new ATOM 0 HG SER A 51 19.408 23.122 -7.772 1.00 0.00 H new ATOM 769 N GLN A 52 21.853 19.847 -8.671 1.00 0.00 N ATOM 770 CA GLN A 52 21.996 19.158 -9.944 1.00 0.00 C ATOM 771 C GLN A 52 20.868 19.534 -10.888 1.00 0.00 C ATOM 772 O GLN A 52 20.888 19.185 -12.066 1.00 0.00 O ATOM 773 CB GLN A 52 22.015 17.637 -9.734 1.00 0.00 C ATOM 774 CG GLN A 52 23.160 17.151 -8.861 1.00 0.00 C ATOM 775 CD GLN A 52 24.524 17.328 -9.502 1.00 0.00 C ATOM 776 OE1 GLN A 52 24.745 18.215 -10.315 1.00 0.00 O ATOM 777 NE2 GLN A 52 25.444 16.489 -9.135 1.00 0.00 N ATOM 0 H GLN A 52 21.193 19.405 -8.032 1.00 0.00 H new ATOM 0 HA GLN A 52 22.942 19.465 -10.389 1.00 0.00 H new ATOM 0 HB2 GLN A 52 21.071 17.330 -9.283 1.00 0.00 H new ATOM 0 HB3 GLN A 52 22.078 17.147 -10.705 1.00 0.00 H new ATOM 0 HG2 GLN A 52 23.139 17.690 -7.914 1.00 0.00 H new ATOM 0 HG3 GLN A 52 23.009 16.096 -8.631 1.00 0.00 H new ATOM 0 HE21 GLN A 52 25.228 15.760 -8.455 1.00 0.00 H new ATOM 0 HE22 GLN A 52 26.383 16.558 -9.527 1.00 0.00 H new ATOM 786 N GLY A 53 19.887 20.252 -10.375 1.00 0.00 N ATOM 787 CA GLY A 53 18.759 20.641 -11.197 1.00 0.00 C ATOM 788 C GLY A 53 17.712 19.542 -11.320 1.00 0.00 C ATOM 789 O GLY A 53 17.070 19.387 -12.365 1.00 0.00 O ATOM 0 H GLY A 53 19.848 20.573 -9.408 1.00 0.00 H new ATOM 0 HA2 GLY A 53 18.296 21.532 -10.773 1.00 0.00 H new ATOM 0 HA3 GLY A 53 19.115 20.910 -12.191 1.00 0.00 H new ATOM 793 N PHE A 54 17.547 18.780 -10.260 1.00 0.00 N ATOM 794 CA PHE A 54 16.550 17.714 -10.184 1.00 0.00 C ATOM 795 C PHE A 54 16.040 17.678 -8.760 1.00 0.00 C ATOM 796 O PHE A 54 16.731 18.160 -7.858 1.00 0.00 O ATOM 797 CB PHE A 54 17.143 16.325 -10.542 1.00 0.00 C ATOM 798 CG PHE A 54 17.700 16.199 -11.934 1.00 0.00 C ATOM 799 CD1 PHE A 54 16.865 15.949 -13.007 1.00 0.00 C ATOM 800 CD2 PHE A 54 19.059 16.335 -12.166 1.00 0.00 C ATOM 801 CE1 PHE A 54 17.372 15.836 -14.284 1.00 0.00 C ATOM 802 CE2 PHE A 54 19.571 16.223 -13.440 1.00 0.00 C ATOM 803 CZ PHE A 54 18.725 15.974 -14.501 1.00 0.00 C ATOM 0 H PHE A 54 18.105 18.878 -9.412 1.00 0.00 H new ATOM 0 HA PHE A 54 15.757 17.921 -10.902 1.00 0.00 H new ATOM 0 HB2 PHE A 54 17.935 16.093 -9.830 1.00 0.00 H new ATOM 0 HB3 PHE A 54 16.366 15.572 -10.411 1.00 0.00 H new ATOM 0 HD1 PHE A 54 15.803 15.841 -12.843 1.00 0.00 H new ATOM 0 HD2 PHE A 54 19.725 16.531 -11.339 1.00 0.00 H new ATOM 0 HE1 PHE A 54 16.709 15.639 -15.113 1.00 0.00 H new ATOM 0 HE2 PHE A 54 20.633 16.330 -13.608 1.00 0.00 H new ATOM 0 HZ PHE A 54 19.123 15.887 -15.501 1.00 0.00 H new ATOM 813 N ALA A 55 14.868 17.136 -8.549 1.00 0.00 N ATOM 814 CA ALA A 55 14.298 17.020 -7.221 1.00 0.00 C ATOM 815 C ALA A 55 13.318 15.862 -7.179 1.00 0.00 C ATOM 816 O ALA A 55 12.972 15.299 -8.220 1.00 0.00 O ATOM 817 CB ALA A 55 13.607 18.319 -6.808 1.00 0.00 C ATOM 0 H ALA A 55 14.277 16.761 -9.291 1.00 0.00 H new ATOM 0 HA ALA A 55 15.105 16.829 -6.513 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.188 18.206 -5.808 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.332 19.133 -6.808 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.807 18.546 -7.513 1.00 0.00 H new ATOM 823 N TYR A 56 12.918 15.482 -5.991 1.00 0.00 N ATOM 824 CA TYR A 56 11.941 14.430 -5.773 1.00 0.00 C ATOM 825 C TYR A 56 11.088 14.848 -4.589 1.00 0.00 C ATOM 826 O TYR A 56 11.587 15.522 -3.679 1.00 0.00 O ATOM 827 CB TYR A 56 12.622 13.069 -5.474 1.00 0.00 C ATOM 828 CG TYR A 56 13.589 12.596 -6.541 1.00 0.00 C ATOM 829 CD1 TYR A 56 13.147 11.860 -7.628 1.00 0.00 C ATOM 830 CD2 TYR A 56 14.945 12.903 -6.462 1.00 0.00 C ATOM 831 CE1 TYR A 56 14.024 11.443 -8.607 1.00 0.00 C ATOM 832 CE2 TYR A 56 15.828 12.494 -7.439 1.00 0.00 C ATOM 833 CZ TYR A 56 15.363 11.762 -8.515 1.00 0.00 C ATOM 834 OH TYR A 56 16.238 11.344 -9.503 1.00 0.00 O ATOM 0 H TYR A 56 13.266 15.900 -5.128 1.00 0.00 H new ATOM 0 HA TYR A 56 11.340 14.296 -6.672 1.00 0.00 H new ATOM 0 HB2 TYR A 56 13.156 13.146 -4.527 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.848 12.312 -5.343 1.00 0.00 H new ATOM 0 HD1 TYR A 56 12.100 11.609 -7.710 1.00 0.00 H new ATOM 0 HD2 TYR A 56 15.312 13.472 -5.620 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.663 10.867 -9.446 1.00 0.00 H new ATOM 0 HE2 TYR A 56 16.876 12.744 -7.364 1.00 0.00 H new ATOM 0 HH TYR A 56 17.144 11.652 -9.289 1.00 0.00 H new ATOM 844 N LEU A 57 9.834 14.493 -4.592 1.00 0.00 N ATOM 845 CA LEU A 57 8.935 14.895 -3.520 1.00 0.00 C ATOM 846 C LEU A 57 7.832 13.845 -3.387 1.00 0.00 C ATOM 847 O LEU A 57 7.662 13.022 -4.278 1.00 0.00 O ATOM 848 CB LEU A 57 8.373 16.330 -3.860 1.00 0.00 C ATOM 849 CG LEU A 57 7.532 17.102 -2.799 1.00 0.00 C ATOM 850 CD1 LEU A 57 7.578 18.586 -3.097 1.00 0.00 C ATOM 851 CD2 LEU A 57 6.078 16.678 -2.819 1.00 0.00 C ATOM 0 H LEU A 57 9.400 13.926 -5.320 1.00 0.00 H new ATOM 0 HA LEU A 57 9.446 14.955 -2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.224 16.959 -4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.759 16.235 -4.756 1.00 0.00 H new ATOM 0 HG LEU A 57 7.960 16.877 -1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.989 19.125 -2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.611 18.932 -3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.167 18.771 -4.089 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.525 17.239 -2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.654 16.878 -3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.007 15.612 -2.603 1.00 0.00 H new ATOM 863 N LYS A 58 7.163 13.815 -2.255 1.00 0.00 N ATOM 864 CA LYS A 58 5.987 12.973 -2.079 1.00 0.00 C ATOM 865 C LYS A 58 5.011 13.616 -1.127 1.00 0.00 C ATOM 866 O LYS A 58 5.415 14.249 -0.125 1.00 0.00 O ATOM 867 CB LYS A 58 6.296 11.547 -1.551 1.00 0.00 C ATOM 868 CG LYS A 58 7.043 11.504 -0.239 1.00 0.00 C ATOM 869 CD LYS A 58 6.900 10.168 0.485 1.00 0.00 C ATOM 870 CE LYS A 58 5.587 10.093 1.249 1.00 0.00 C ATOM 871 NZ LYS A 58 5.715 10.592 2.646 1.00 0.00 N1+ ATOM 0 H LYS A 58 7.411 14.366 -1.434 1.00 0.00 H new ATOM 0 HA LYS A 58 5.565 12.873 -3.079 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.357 11.006 -1.436 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.880 11.015 -2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.099 11.701 -0.422 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.678 12.302 0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.950 9.353 -0.237 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.733 10.034 1.175 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.831 10.677 0.725 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.237 9.061 1.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.791 10.936 2.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.038 9.819 3.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.405 11.370 2.675 1.00 0.00 H new ATOM 885 N TYR A 59 3.756 13.539 -1.476 1.00 0.00 N ATOM 886 CA TYR A 59 2.695 13.841 -0.551 1.00 0.00 C ATOM 887 C TYR A 59 2.266 12.492 0.067 1.00 0.00 C ATOM 888 O TYR A 59 2.640 11.430 -0.456 1.00 0.00 O ATOM 889 CB TYR A 59 1.514 14.536 -1.272 1.00 0.00 C ATOM 890 CG TYR A 59 0.376 14.995 -0.355 1.00 0.00 C ATOM 891 CD1 TYR A 59 0.552 16.028 0.529 1.00 0.00 C ATOM 892 CD2 TYR A 59 -0.861 14.394 -0.391 1.00 0.00 C ATOM 893 CE1 TYR A 59 -0.471 16.457 1.359 1.00 0.00 C ATOM 894 CE2 TYR A 59 -1.893 14.814 0.432 1.00 0.00 C ATOM 895 CZ TYR A 59 -1.688 15.844 1.302 1.00 0.00 C ATOM 896 OH TYR A 59 -2.713 16.258 2.126 1.00 0.00 O ATOM 0 H TYR A 59 3.439 13.266 -2.406 1.00 0.00 H new ATOM 0 HA TYR A 59 3.026 14.534 0.222 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.897 15.402 -1.813 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.107 13.850 -2.015 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.512 16.520 0.580 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.031 13.577 -1.076 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.306 17.272 2.047 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.856 14.328 0.385 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.510 15.715 1.954 1.00 0.00 H new ATOM 906 N GLU A 60 1.545 12.523 1.181 1.00 0.00 N ATOM 907 CA GLU A 60 1.069 11.298 1.832 1.00 0.00 C ATOM 908 C GLU A 60 0.087 10.565 0.939 1.00 0.00 C ATOM 909 O GLU A 60 0.169 9.337 0.762 1.00 0.00 O ATOM 910 CB GLU A 60 0.420 11.618 3.183 1.00 0.00 C ATOM 911 CG GLU A 60 1.382 12.200 4.205 1.00 0.00 C ATOM 912 CD GLU A 60 2.459 11.221 4.618 1.00 0.00 C ATOM 913 OE1 GLU A 60 3.304 10.833 3.784 1.00 0.00 O ATOM 914 OE2 GLU A 60 2.485 10.818 5.790 1.00 0.00 O1- ATOM 0 H GLU A 60 1.274 13.383 1.657 1.00 0.00 H new ATOM 0 HA GLU A 60 1.929 10.652 2.006 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.397 12.322 3.025 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.019 10.707 3.589 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.849 13.094 3.791 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.823 12.512 5.087 1.00 0.00 H new ATOM 921 N ASP A 61 -0.812 11.320 0.374 1.00 0.00 N ATOM 922 CA ASP A 61 -1.796 10.807 -0.541 1.00 0.00 C ATOM 923 C ASP A 61 -1.223 10.726 -1.948 1.00 0.00 C ATOM 924 O ASP A 61 -0.651 11.691 -2.475 1.00 0.00 O ATOM 925 CB ASP A 61 -3.063 11.655 -0.510 1.00 0.00 C ATOM 926 CG ASP A 61 -4.018 11.306 -1.607 1.00 0.00 C ATOM 927 OD1 ASP A 61 -4.831 10.389 -1.445 1.00 0.00 O1- ATOM 928 OD2 ASP A 61 -3.958 11.945 -2.657 1.00 0.00 O ATOM 0 H ASP A 61 -0.884 12.324 0.537 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.066 9.799 -0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.558 11.526 0.452 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.793 12.708 -0.590 1.00 0.00 H new ATOM 933 N GLN A 62 -1.403 9.586 -2.535 1.00 0.00 N ATOM 934 CA GLN A 62 -0.880 9.229 -3.835 1.00 0.00 C ATOM 935 C GLN A 62 -1.577 9.995 -4.976 1.00 0.00 C ATOM 936 O GLN A 62 -0.977 10.246 -6.014 1.00 0.00 O ATOM 937 CB GLN A 62 -1.094 7.743 -3.970 1.00 0.00 C ATOM 938 CG GLN A 62 -0.662 7.075 -5.245 1.00 0.00 C ATOM 939 CD GLN A 62 -1.086 5.626 -5.214 1.00 0.00 C ATOM 940 OE1 GLN A 62 -2.091 5.279 -4.594 1.00 0.00 O ATOM 941 NE2 GLN A 62 -0.361 4.785 -5.841 1.00 0.00 N ATOM 0 H GLN A 62 -1.944 8.835 -2.107 1.00 0.00 H new ATOM 0 HA GLN A 62 0.174 9.496 -3.911 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.573 7.256 -3.146 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.158 7.546 -3.835 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.108 7.579 -6.103 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.420 7.148 -5.359 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.466 5.102 -6.346 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.609 3.796 -5.837 1.00 0.00 H new ATOM 950 N ARG A 63 -2.812 10.414 -4.763 1.00 0.00 N ATOM 951 CA ARG A 63 -3.580 11.099 -5.813 1.00 0.00 C ATOM 952 C ARG A 63 -3.064 12.509 -5.993 1.00 0.00 C ATOM 953 O ARG A 63 -3.115 13.076 -7.081 1.00 0.00 O ATOM 954 CB ARG A 63 -5.047 11.178 -5.448 1.00 0.00 C ATOM 955 CG ARG A 63 -5.686 9.864 -5.105 1.00 0.00 C ATOM 956 CD ARG A 63 -7.101 10.091 -4.648 1.00 0.00 C ATOM 957 NE ARG A 63 -7.720 8.875 -4.173 1.00 0.00 N ATOM 958 CZ ARG A 63 -8.901 8.813 -3.570 1.00 0.00 C ATOM 959 NH1 ARG A 63 -9.624 9.922 -3.379 1.00 0.00 N1+ ATOM 960 NH2 ARG A 63 -9.348 7.658 -3.130 1.00 0.00 N ATOM 0 H ARG A 63 -3.311 10.298 -3.881 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.464 10.528 -6.734 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.159 11.852 -4.599 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.590 11.623 -6.282 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.676 9.206 -5.974 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.116 9.365 -4.321 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.110 10.836 -3.853 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.687 10.498 -5.472 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.213 8.001 -4.311 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.269 10.824 -3.698 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.531 9.866 -2.915 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -8.788 6.814 -3.252 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.255 7.605 -2.666 1.00 0.00 H new ATOM 974 N SER A 64 -2.539 13.046 -4.931 1.00 0.00 N ATOM 975 CA SER A 64 -2.027 14.388 -4.916 1.00 0.00 C ATOM 976 C SER A 64 -0.724 14.398 -5.703 1.00 0.00 C ATOM 977 O SER A 64 -0.417 15.337 -6.446 1.00 0.00 O ATOM 978 CB SER A 64 -1.819 14.797 -3.468 1.00 0.00 C ATOM 979 OG SER A 64 -1.501 16.158 -3.326 1.00 0.00 O ATOM 0 H SER A 64 -2.452 12.559 -4.039 1.00 0.00 H new ATOM 0 HA SER A 64 -2.714 15.099 -5.376 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.724 14.579 -2.900 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.019 14.195 -3.037 1.00 0.00 H new ATOM 0 HG SER A 64 -1.146 16.501 -4.173 1.00 0.00 H new ATOM 985 N THR A 65 -0.003 13.322 -5.543 1.00 0.00 N ATOM 986 CA THR A 65 1.183 13.024 -6.272 1.00 0.00 C ATOM 987 C THR A 65 0.862 12.964 -7.810 1.00 0.00 C ATOM 988 O THR A 65 1.579 13.559 -8.651 1.00 0.00 O ATOM 989 CB THR A 65 1.729 11.685 -5.691 1.00 0.00 C ATOM 990 OG1 THR A 65 2.562 11.898 -4.536 1.00 0.00 O ATOM 991 CG2 THR A 65 2.367 10.770 -6.701 1.00 0.00 C ATOM 0 H THR A 65 -0.245 12.599 -4.866 1.00 0.00 H new ATOM 0 HA THR A 65 1.950 13.792 -6.168 1.00 0.00 H new ATOM 0 HB THR A 65 0.843 11.143 -5.362 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.335 11.297 -4.575 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.716 9.865 -6.203 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.636 10.505 -7.465 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.212 11.276 -7.168 1.00 0.00 H new ATOM 999 N ILE A 66 -0.265 12.325 -8.145 1.00 0.00 N ATOM 1000 CA ILE A 66 -0.734 12.220 -9.529 1.00 0.00 C ATOM 1001 C ILE A 66 -1.006 13.628 -10.100 1.00 0.00 C ATOM 1002 O ILE A 66 -0.639 13.943 -11.245 1.00 0.00 O ATOM 1003 CB ILE A 66 -2.048 11.376 -9.615 1.00 0.00 C ATOM 1004 CG1 ILE A 66 -1.845 9.983 -9.011 1.00 0.00 C ATOM 1005 CG2 ILE A 66 -2.513 11.250 -11.055 1.00 0.00 C ATOM 1006 CD1 ILE A 66 -3.102 9.130 -8.986 1.00 0.00 C ATOM 0 H ILE A 66 -0.874 11.868 -7.466 1.00 0.00 H new ATOM 0 HA ILE A 66 0.044 11.724 -10.110 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.814 11.897 -9.041 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.075 9.461 -9.579 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.471 10.091 -7.993 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.428 10.659 -11.091 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.705 12.242 -11.463 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.740 10.758 -11.645 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.875 8.160 -8.544 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.868 9.629 -8.393 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.466 8.989 -10.004 1.00 0.00 H new ATOM 1018 N LEU A 67 -1.600 14.479 -9.274 1.00 0.00 N ATOM 1019 CA LEU A 67 -1.958 15.829 -9.682 1.00 0.00 C ATOM 1020 C LEU A 67 -0.714 16.665 -9.981 1.00 0.00 C ATOM 1021 O LEU A 67 -0.725 17.526 -10.873 1.00 0.00 O ATOM 1022 CB LEU A 67 -2.791 16.520 -8.615 1.00 0.00 C ATOM 1023 CG LEU A 67 -3.401 17.851 -9.040 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -4.396 17.647 -10.169 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -4.056 18.538 -7.871 1.00 0.00 C ATOM 0 H LEU A 67 -1.845 14.255 -8.310 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.551 15.744 -10.593 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.594 15.849 -8.311 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.166 16.687 -7.738 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.598 18.492 -9.403 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.820 18.608 -10.458 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.889 17.202 -11.025 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.194 16.984 -9.835 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.484 19.485 -8.199 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.846 17.902 -7.471 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.313 18.725 -7.096 1.00 0.00 H new ATOM 1037 N ALA A 68 0.352 16.416 -9.237 1.00 0.00 N ATOM 1038 CA ALA A 68 1.611 17.100 -9.470 1.00 0.00 C ATOM 1039 C ALA A 68 2.114 16.774 -10.865 1.00 0.00 C ATOM 1040 O ALA A 68 2.540 17.665 -11.612 1.00 0.00 O ATOM 1041 CB ALA A 68 2.632 16.698 -8.434 1.00 0.00 C ATOM 0 H ALA A 68 0.369 15.746 -8.468 1.00 0.00 H new ATOM 0 HA ALA A 68 1.452 18.175 -9.389 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.569 17.221 -8.625 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.266 16.960 -7.441 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.799 15.622 -8.486 1.00 0.00 H new ATOM 1047 N VAL A 69 2.005 15.496 -11.221 1.00 0.00 N ATOM 1048 CA VAL A 69 2.410 15.002 -12.541 1.00 0.00 C ATOM 1049 C VAL A 69 1.538 15.622 -13.666 1.00 0.00 C ATOM 1050 O VAL A 69 1.999 15.825 -14.796 1.00 0.00 O ATOM 1051 CB VAL A 69 2.323 13.441 -12.603 1.00 0.00 C ATOM 1052 CG1 VAL A 69 2.814 12.900 -13.940 1.00 0.00 C ATOM 1053 CG2 VAL A 69 3.108 12.807 -11.467 1.00 0.00 C ATOM 0 H VAL A 69 1.634 14.772 -10.605 1.00 0.00 H new ATOM 0 HA VAL A 69 3.445 15.305 -12.698 1.00 0.00 H new ATOM 0 HB VAL A 69 1.271 13.176 -12.497 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.737 11.813 -13.943 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.203 13.309 -14.745 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.854 13.191 -14.091 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.031 11.722 -11.533 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.155 13.102 -11.539 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.702 13.142 -10.513 1.00 0.00 H new ATOM 1063 N ASP A 70 0.298 15.930 -13.350 1.00 0.00 N ATOM 1064 CA ASP A 70 -0.627 16.485 -14.350 1.00 0.00 C ATOM 1065 C ASP A 70 -0.487 18.009 -14.545 1.00 0.00 C ATOM 1066 O ASP A 70 -0.354 18.478 -15.674 1.00 0.00 O ATOM 1067 CB ASP A 70 -2.088 16.133 -14.010 1.00 0.00 C ATOM 1068 CG ASP A 70 -3.090 16.603 -15.070 1.00 0.00 C ATOM 1069 OD1 ASP A 70 -3.195 15.934 -16.144 1.00 0.00 O ATOM 1070 OD2 ASP A 70 -3.822 17.588 -14.837 1.00 0.00 O1- ATOM 0 H ASP A 70 -0.103 15.812 -12.420 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.348 16.019 -15.295 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.176 15.053 -13.892 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.348 16.581 -13.051 1.00 0.00 H new ATOM 1075 N ASN A 71 -0.423 18.766 -13.457 1.00 0.00 N ATOM 1076 CA ASN A 71 -0.558 20.242 -13.572 1.00 0.00 C ATOM 1077 C ASN A 71 0.766 20.984 -13.587 1.00 0.00 C ATOM 1078 O ASN A 71 0.998 21.839 -14.420 1.00 0.00 O ATOM 1079 CB ASN A 71 -1.485 20.813 -12.469 1.00 0.00 C ATOM 1080 CG ASN A 71 -1.679 22.348 -12.545 1.00 0.00 C ATOM 1081 OD1 ASN A 71 -2.560 22.848 -13.248 1.00 0.00 O ATOM 1082 ND2 ASN A 71 -0.895 23.094 -11.788 1.00 0.00 N ATOM 0 H ASN A 71 -0.284 18.414 -12.510 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.015 20.412 -14.547 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.459 20.329 -12.541 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.073 20.557 -11.493 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.011 24.107 -11.776 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.173 22.657 -11.215 1.00 0.00 H new ATOM 1089 N LEU A 72 1.656 20.654 -12.695 1.00 0.00 N ATOM 1090 CA LEU A 72 2.892 21.422 -12.608 1.00 0.00 C ATOM 1091 C LEU A 72 3.867 21.057 -13.704 1.00 0.00 C ATOM 1092 O LEU A 72 4.809 21.796 -13.986 1.00 0.00 O ATOM 1093 CB LEU A 72 3.522 21.300 -11.225 1.00 0.00 C ATOM 1094 CG LEU A 72 2.736 21.950 -10.086 1.00 0.00 C ATOM 1095 CD1 LEU A 72 3.417 21.689 -8.763 1.00 0.00 C ATOM 1096 CD2 LEU A 72 2.594 23.453 -10.326 1.00 0.00 C ATOM 0 H LEU A 72 1.567 19.885 -12.031 1.00 0.00 H new ATOM 0 HA LEU A 72 2.632 22.470 -12.759 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.653 20.242 -10.996 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.517 21.745 -11.257 1.00 0.00 H new ATOM 0 HG LEU A 72 1.739 21.510 -10.056 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.846 22.158 -7.961 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.473 20.615 -8.588 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.424 22.106 -8.783 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.032 23.901 -9.506 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.583 23.908 -10.379 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.065 23.623 -11.264 1.00 0.00 H new ATOM 1108 N ASN A 73 3.614 19.942 -14.339 1.00 0.00 N ATOM 1109 CA ASN A 73 4.477 19.440 -15.378 1.00 0.00 C ATOM 1110 C ASN A 73 4.423 20.321 -16.599 1.00 0.00 C ATOM 1111 O ASN A 73 3.388 20.409 -17.272 1.00 0.00 O ATOM 1112 CB ASN A 73 4.108 18.012 -15.738 1.00 0.00 C ATOM 1113 CG ASN A 73 5.020 17.438 -16.787 1.00 0.00 C ATOM 1114 OD1 ASN A 73 6.049 16.888 -16.462 1.00 0.00 O ATOM 1115 ND2 ASN A 73 4.643 17.537 -18.037 1.00 0.00 N ATOM 0 H ASN A 73 2.802 19.355 -14.150 1.00 0.00 H new ATOM 0 HA ASN A 73 5.499 19.449 -14.998 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.150 17.391 -14.843 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.080 17.984 -16.098 1.00 0.00 H new ATOM 0 HD21 ASN A 73 5.223 17.143 -18.777 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.769 18.008 -18.270 1.00 0.00 H new ATOM 1122 N GLY A 74 5.516 20.973 -16.879 1.00 0.00 N ATOM 1123 CA GLY A 74 5.577 21.842 -18.009 1.00 0.00 C ATOM 1124 C GLY A 74 5.503 23.295 -17.617 1.00 0.00 C ATOM 1125 O GLY A 74 5.353 24.166 -18.477 1.00 0.00 O ATOM 0 H GLY A 74 6.377 20.916 -16.335 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.504 21.662 -18.554 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.757 21.609 -18.689 1.00 0.00 H new ATOM 1129 N PHE A 75 5.572 23.583 -16.329 1.00 0.00 N ATOM 1130 CA PHE A 75 5.575 24.957 -15.910 1.00 0.00 C ATOM 1131 C PHE A 75 7.005 25.508 -16.005 1.00 0.00 C ATOM 1132 O PHE A 75 7.947 24.930 -15.452 1.00 0.00 O ATOM 1133 CB PHE A 75 4.978 25.133 -14.505 1.00 0.00 C ATOM 1134 CG PHE A 75 4.716 26.577 -14.164 1.00 0.00 C ATOM 1135 CD1 PHE A 75 3.518 27.181 -14.528 1.00 0.00 C ATOM 1136 CD2 PHE A 75 5.665 27.332 -13.505 1.00 0.00 C ATOM 1137 CE1 PHE A 75 3.286 28.504 -14.242 1.00 0.00 C ATOM 1138 CE2 PHE A 75 5.434 28.656 -13.214 1.00 0.00 C ATOM 1139 CZ PHE A 75 4.245 29.241 -13.584 1.00 0.00 C ATOM 0 H PHE A 75 5.625 22.896 -15.577 1.00 0.00 H new ATOM 0 HA PHE A 75 4.932 25.531 -16.577 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.046 24.573 -14.438 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.660 24.707 -13.769 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.762 26.604 -15.041 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.601 26.877 -13.214 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.354 28.965 -14.532 1.00 0.00 H new ATOM 0 HE2 PHE A 75 6.184 29.235 -12.696 1.00 0.00 H new ATOM 0 HZ PHE A 75 4.063 30.281 -13.358 1.00 0.00 H new ATOM 1149 N LYS A 76 7.146 26.591 -16.741 1.00 0.00 N ATOM 1150 CA LYS A 76 8.427 27.228 -17.011 1.00 0.00 C ATOM 1151 C LYS A 76 8.854 28.109 -15.832 1.00 0.00 C ATOM 1152 O LYS A 76 8.139 29.035 -15.461 1.00 0.00 O ATOM 1153 CB LYS A 76 8.290 28.086 -18.297 1.00 0.00 C ATOM 1154 CG LYS A 76 9.554 28.835 -18.753 1.00 0.00 C ATOM 1155 CD LYS A 76 10.648 27.903 -19.266 1.00 0.00 C ATOM 1156 CE LYS A 76 10.292 27.231 -20.599 1.00 0.00 C ATOM 1157 NZ LYS A 76 10.144 28.200 -21.713 1.00 0.00 N1+ ATOM 0 H LYS A 76 6.358 27.067 -17.180 1.00 0.00 H new ATOM 0 HA LYS A 76 9.191 26.463 -17.151 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.966 27.436 -19.109 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.497 28.817 -18.138 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.287 29.541 -19.540 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.944 29.419 -17.919 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.572 28.469 -19.387 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.841 27.134 -18.519 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.067 26.508 -20.854 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.362 26.674 -20.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.056 27.685 -22.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.293 28.778 -21.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.980 28.818 -21.749 1.00 0.00 H new ATOM 1171 N ILE A 77 9.995 27.805 -15.250 1.00 0.00 N ATOM 1172 CA ILE A 77 10.555 28.596 -14.171 1.00 0.00 C ATOM 1173 C ILE A 77 12.013 28.915 -14.487 1.00 0.00 C ATOM 1174 O ILE A 77 12.881 28.038 -14.424 1.00 0.00 O ATOM 1175 CB ILE A 77 10.491 27.878 -12.784 1.00 0.00 C ATOM 1176 CG1 ILE A 77 9.050 27.470 -12.453 1.00 0.00 C ATOM 1177 CG2 ILE A 77 11.053 28.802 -11.681 1.00 0.00 C ATOM 1178 CD1 ILE A 77 8.893 26.704 -11.157 1.00 0.00 C ATOM 0 H ILE A 77 10.563 27.000 -15.512 1.00 0.00 H new ATOM 0 HA ILE A 77 9.953 29.502 -14.098 1.00 0.00 H new ATOM 0 HB ILE A 77 11.101 26.976 -12.832 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.434 28.368 -12.406 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.663 26.860 -13.269 1.00 0.00 H new ATOM 0 HG21 ILE A 77 11.004 28.292 -10.719 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.090 29.050 -11.907 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.462 29.717 -11.637 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.842 26.458 -11.005 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.478 25.785 -11.204 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.246 27.317 -10.327 1.00 0.00 H new ATOM 1190 N GLY A 78 12.257 30.140 -14.904 1.00 0.00 N ATOM 1191 CA GLY A 78 13.602 30.605 -15.154 1.00 0.00 C ATOM 1192 C GLY A 78 14.290 29.860 -16.267 1.00 0.00 C ATOM 1193 O GLY A 78 15.324 29.225 -16.050 1.00 0.00 O ATOM 0 H GLY A 78 11.532 30.836 -15.078 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.573 31.667 -15.400 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.190 30.505 -14.241 1.00 0.00 H new ATOM 1197 N GLY A 79 13.702 29.889 -17.437 1.00 0.00 N ATOM 1198 CA GLY A 79 14.309 29.262 -18.598 1.00 0.00 C ATOM 1199 C GLY A 79 14.060 27.758 -18.721 1.00 0.00 C ATOM 1200 O GLY A 79 14.185 27.201 -19.809 1.00 0.00 O ATOM 0 H GLY A 79 12.804 30.338 -17.617 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.933 29.752 -19.496 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.385 29.436 -18.566 1.00 0.00 H new ATOM 1204 N ARG A 80 13.705 27.093 -17.638 1.00 0.00 N ATOM 1205 CA ARG A 80 13.455 25.657 -17.696 1.00 0.00 C ATOM 1206 C ARG A 80 12.075 25.316 -17.210 1.00 0.00 C ATOM 1207 O ARG A 80 11.598 25.896 -16.249 1.00 0.00 O ATOM 1208 CB ARG A 80 14.490 24.855 -16.909 1.00 0.00 C ATOM 1209 CG ARG A 80 15.882 24.856 -17.506 1.00 0.00 C ATOM 1210 CD ARG A 80 16.845 24.045 -16.659 1.00 0.00 C ATOM 1211 NE ARG A 80 18.103 23.780 -17.374 1.00 0.00 N ATOM 1212 CZ ARG A 80 19.093 22.972 -16.953 1.00 0.00 C ATOM 1213 NH1 ARG A 80 19.079 22.451 -15.732 1.00 0.00 N1+ ATOM 1214 NH2 ARG A 80 20.110 22.720 -17.765 1.00 0.00 N ATOM 0 H ARG A 80 13.583 27.513 -16.717 1.00 0.00 H new ATOM 0 HA ARG A 80 13.538 25.379 -18.747 1.00 0.00 H new ATOM 0 HB2 ARG A 80 14.544 25.254 -15.896 1.00 0.00 H new ATOM 0 HB3 ARG A 80 14.145 23.824 -16.828 1.00 0.00 H new ATOM 0 HG2 ARG A 80 15.848 24.446 -18.515 1.00 0.00 H new ATOM 0 HG3 ARG A 80 16.243 25.881 -17.591 1.00 0.00 H new ATOM 0 HD2 ARG A 80 17.057 24.581 -15.734 1.00 0.00 H new ATOM 0 HD3 ARG A 80 16.378 23.100 -16.380 1.00 0.00 H new ATOM 0 HE ARG A 80 18.237 24.251 -18.269 1.00 0.00 H new ATOM 0 HH11 ARG A 80 18.309 22.661 -15.097 1.00 0.00 H new ATOM 0 HH12 ARG A 80 19.838 21.840 -15.429 1.00 0.00 H new ATOM 0 HH21 ARG A 80 20.135 23.137 -18.696 1.00 0.00 H new ATOM 0 HH22 ARG A 80 20.868 22.109 -17.459 1.00 0.00 H new ATOM 1228 N ALA A 81 11.424 24.415 -17.898 1.00 0.00 N ATOM 1229 CA ALA A 81 10.132 23.933 -17.486 1.00 0.00 C ATOM 1230 C ALA A 81 10.309 22.603 -16.811 1.00 0.00 C ATOM 1231 O ALA A 81 10.850 21.662 -17.409 1.00 0.00 O ATOM 1232 CB ALA A 81 9.186 23.812 -18.666 1.00 0.00 C ATOM 0 H ALA A 81 11.774 23.995 -18.759 1.00 0.00 H new ATOM 0 HA ALA A 81 9.689 24.646 -16.791 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.219 23.446 -18.321 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.059 24.789 -19.132 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.600 23.114 -19.394 1.00 0.00 H new ATOM 1238 N LEU A 82 9.884 22.524 -15.589 1.00 0.00 N ATOM 1239 CA LEU A 82 10.070 21.334 -14.815 1.00 0.00 C ATOM 1240 C LEU A 82 9.113 20.198 -15.186 1.00 0.00 C ATOM 1241 O LEU A 82 7.938 20.409 -15.544 1.00 0.00 O ATOM 1242 CB LEU A 82 10.159 21.635 -13.300 1.00 0.00 C ATOM 1243 CG LEU A 82 9.104 22.579 -12.690 1.00 0.00 C ATOM 1244 CD1 LEU A 82 7.734 21.946 -12.654 1.00 0.00 C ATOM 1245 CD2 LEU A 82 9.528 23.017 -11.299 1.00 0.00 C ATOM 0 H LEU A 82 9.401 23.278 -15.100 1.00 0.00 H new ATOM 0 HA LEU A 82 11.047 20.937 -15.090 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.107 20.686 -12.767 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.143 22.059 -13.100 1.00 0.00 H new ATOM 0 HG LEU A 82 9.038 23.457 -13.333 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.021 22.645 -12.217 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.422 21.696 -13.668 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.768 21.039 -12.051 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.773 23.683 -10.881 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.634 22.142 -10.658 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.482 23.541 -11.358 1.00 0.00 H new ATOM 1257 N LYS A 83 9.656 19.025 -15.133 1.00 0.00 N ATOM 1258 CA LYS A 83 9.009 17.787 -15.490 1.00 0.00 C ATOM 1259 C LYS A 83 8.746 16.961 -14.234 1.00 0.00 C ATOM 1260 O LYS A 83 9.657 16.720 -13.469 1.00 0.00 O ATOM 1261 CB LYS A 83 9.957 17.040 -16.487 1.00 0.00 C ATOM 1262 CG LYS A 83 9.795 15.516 -16.618 1.00 0.00 C ATOM 1263 CD LYS A 83 8.414 15.089 -17.069 1.00 0.00 C ATOM 1264 CE LYS A 83 8.304 13.577 -17.129 1.00 0.00 C ATOM 1265 NZ LYS A 83 6.897 13.133 -17.142 1.00 0.00 N1+ ATOM 0 H LYS A 83 10.618 18.889 -14.823 1.00 0.00 H new ATOM 0 HA LYS A 83 8.044 17.962 -15.965 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.818 17.479 -17.475 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.986 17.244 -16.189 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.532 15.141 -17.328 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.014 15.052 -15.656 1.00 0.00 H new ATOM 0 HD2 LYS A 83 7.665 15.485 -16.383 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.201 15.512 -18.051 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.810 13.210 -18.022 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.816 13.140 -16.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.857 12.102 -17.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.379 13.599 -16.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.462 13.385 -18.053 1.00 0.00 H new ATOM 1279 N ILE A 84 7.506 16.551 -14.033 1.00 0.00 N ATOM 1280 CA ILE A 84 7.159 15.707 -12.899 1.00 0.00 C ATOM 1281 C ILE A 84 6.731 14.345 -13.440 1.00 0.00 C ATOM 1282 O ILE A 84 6.143 14.263 -14.536 1.00 0.00 O ATOM 1283 CB ILE A 84 6.017 16.278 -11.956 1.00 0.00 C ATOM 1284 CG1 ILE A 84 6.328 17.668 -11.419 1.00 0.00 C ATOM 1285 CG2 ILE A 84 5.774 15.366 -10.773 1.00 0.00 C ATOM 1286 CD1 ILE A 84 5.975 18.772 -12.350 1.00 0.00 C ATOM 0 H ILE A 84 6.721 16.788 -14.640 1.00 0.00 H new ATOM 0 HA ILE A 84 8.047 15.652 -12.270 1.00 0.00 H new ATOM 0 HB ILE A 84 5.129 16.335 -12.585 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.791 17.812 -10.482 1.00 0.00 H new ATOM 0 HG13 ILE A 84 7.392 17.727 -11.189 1.00 0.00 H new ATOM 0 HG21 ILE A 84 4.986 15.785 -10.146 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.470 14.382 -11.129 1.00 0.00 H new ATOM 0 HG23 ILE A 84 6.691 15.274 -10.190 1.00 0.00 H new ATOM 0 HD11 ILE A 84 6.228 19.729 -11.893 1.00 0.00 H new ATOM 0 HD12 ILE A 84 6.532 18.656 -13.280 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.906 18.742 -12.561 1.00 0.00 H new ATOM 1298 N ASP A 85 7.060 13.286 -12.735 1.00 0.00 N ATOM 1299 CA ASP A 85 6.690 11.953 -13.157 1.00 0.00 C ATOM 1300 C ASP A 85 6.656 11.038 -11.934 1.00 0.00 C ATOM 1301 O ASP A 85 7.050 11.458 -10.859 1.00 0.00 O ATOM 1302 CB ASP A 85 7.705 11.451 -14.173 1.00 0.00 C ATOM 1303 CG ASP A 85 7.157 10.367 -15.034 1.00 0.00 C ATOM 1304 OD1 ASP A 85 6.551 10.685 -16.072 1.00 0.00 O ATOM 1305 OD2 ASP A 85 7.301 9.193 -14.691 1.00 0.00 O1- ATOM 0 H ASP A 85 7.586 13.322 -11.862 1.00 0.00 H new ATOM 0 HA ASP A 85 5.704 11.961 -13.622 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.028 12.282 -14.801 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.588 11.084 -13.650 1.00 0.00 H new ATOM 1310 N HIS A 86 6.221 9.809 -12.099 1.00 0.00 N ATOM 1311 CA HIS A 86 6.117 8.860 -10.986 1.00 0.00 C ATOM 1312 C HIS A 86 7.363 7.990 -10.923 1.00 0.00 C ATOM 1313 O HIS A 86 7.650 7.239 -11.863 1.00 0.00 O ATOM 1314 CB HIS A 86 4.884 7.951 -11.140 1.00 0.00 C ATOM 1315 CG HIS A 86 3.554 8.611 -10.933 1.00 0.00 C ATOM 1316 ND1 HIS A 86 2.902 8.653 -9.719 1.00 0.00 N ATOM 1317 CD2 HIS A 86 2.729 9.213 -11.821 1.00 0.00 C ATOM 1318 CE1 HIS A 86 1.730 9.259 -9.902 1.00 0.00 C ATOM 1319 NE2 HIS A 86 1.569 9.624 -11.166 1.00 0.00 N ATOM 0 H HIS A 86 5.928 9.429 -12.999 1.00 0.00 H new ATOM 0 HA HIS A 86 6.017 9.439 -10.068 1.00 0.00 H new ATOM 0 HB2 HIS A 86 4.900 7.516 -12.139 1.00 0.00 H new ATOM 0 HB3 HIS A 86 4.973 7.127 -10.432 1.00 0.00 H new ATOM 0 HD1 HIS A 86 3.255 8.285 -8.836 1.00 0.00 H new ATOM 0 HD2 HIS A 86 2.937 9.353 -12.872 1.00 0.00 H new ATOM 0 HE1 HIS A 86 1.004 9.431 -9.121 1.00 0.00 H new ATOM 1327 N THR A 87 8.085 8.051 -9.831 1.00 0.00 N ATOM 1328 CA THR A 87 9.313 7.304 -9.716 1.00 0.00 C ATOM 1329 C THR A 87 9.454 6.760 -8.294 1.00 0.00 C ATOM 1330 O THR A 87 8.777 7.212 -7.378 1.00 0.00 O ATOM 1331 CB THR A 87 10.551 8.187 -10.074 1.00 0.00 C ATOM 1332 OG1 THR A 87 11.718 7.364 -10.232 1.00 0.00 O ATOM 1333 CG2 THR A 87 10.819 9.221 -8.980 1.00 0.00 C ATOM 0 H THR A 87 7.844 8.609 -9.011 1.00 0.00 H new ATOM 0 HA THR A 87 9.275 6.476 -10.423 1.00 0.00 H new ATOM 0 HB THR A 87 10.333 8.704 -11.008 1.00 0.00 H new ATOM 0 HG1 THR A 87 12.487 7.927 -10.458 1.00 0.00 H new ATOM 0 HG21 THR A 87 11.686 9.823 -9.253 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.948 9.867 -8.869 1.00 0.00 H new ATOM 0 HG23 THR A 87 11.014 8.711 -8.037 1.00 0.00 H new ATOM 1341 N PHE A 88 10.278 5.775 -8.120 1.00 0.00 N ATOM 1342 CA PHE A 88 10.531 5.266 -6.814 1.00 0.00 C ATOM 1343 C PHE A 88 11.990 4.914 -6.716 1.00 0.00 C ATOM 1344 O PHE A 88 12.545 4.279 -7.624 1.00 0.00 O ATOM 1345 CB PHE A 88 9.657 4.044 -6.509 1.00 0.00 C ATOM 1346 CG PHE A 88 9.635 3.669 -5.053 1.00 0.00 C ATOM 1347 CD1 PHE A 88 8.809 4.350 -4.175 1.00 0.00 C ATOM 1348 CD2 PHE A 88 10.429 2.646 -4.563 1.00 0.00 C ATOM 1349 CE1 PHE A 88 8.775 4.023 -2.838 1.00 0.00 C ATOM 1350 CE2 PHE A 88 10.399 2.314 -3.222 1.00 0.00 C ATOM 1351 CZ PHE A 88 9.569 3.004 -2.359 1.00 0.00 C ATOM 0 H PHE A 88 10.787 5.308 -8.870 1.00 0.00 H new ATOM 0 HA PHE A 88 10.280 6.028 -6.076 1.00 0.00 H new ATOM 0 HB2 PHE A 88 8.638 4.245 -6.839 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.019 3.195 -7.089 1.00 0.00 H new ATOM 0 HD1 PHE A 88 8.183 5.149 -4.544 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.077 2.103 -5.235 1.00 0.00 H new ATOM 0 HE1 PHE A 88 8.127 4.565 -2.165 1.00 0.00 H new ATOM 0 HE2 PHE A 88 11.024 1.516 -2.849 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.543 2.745 -1.311 1.00 0.00 H new ATOM 1361 N TYR A 89 12.611 5.355 -5.670 1.00 0.00 N ATOM 1362 CA TYR A 89 13.987 5.067 -5.416 1.00 0.00 C ATOM 1363 C TYR A 89 14.088 4.843 -3.930 1.00 0.00 C ATOM 1364 O TYR A 89 13.175 5.238 -3.189 1.00 0.00 O ATOM 1365 CB TYR A 89 14.919 6.234 -5.870 1.00 0.00 C ATOM 1366 CG TYR A 89 15.021 7.417 -4.909 1.00 0.00 C ATOM 1367 CD1 TYR A 89 14.005 8.363 -4.790 1.00 0.00 C ATOM 1368 CD2 TYR A 89 16.150 7.567 -4.109 1.00 0.00 C ATOM 1369 CE1 TYR A 89 14.123 9.419 -3.897 1.00 0.00 C ATOM 1370 CE2 TYR A 89 16.269 8.608 -3.220 1.00 0.00 C ATOM 1371 CZ TYR A 89 15.262 9.530 -3.114 1.00 0.00 C ATOM 1372 OH TYR A 89 15.387 10.569 -2.218 1.00 0.00 O ATOM 0 H TYR A 89 12.170 5.935 -4.956 1.00 0.00 H new ATOM 0 HA TYR A 89 14.313 4.194 -5.981 1.00 0.00 H new ATOM 0 HB2 TYR A 89 15.920 5.833 -6.030 1.00 0.00 H new ATOM 0 HB3 TYR A 89 14.566 6.602 -6.833 1.00 0.00 H new ATOM 0 HD1 TYR A 89 13.117 8.274 -5.398 1.00 0.00 H new ATOM 0 HD2 TYR A 89 16.952 6.848 -4.189 1.00 0.00 H new ATOM 0 HE1 TYR A 89 13.332 10.150 -3.813 1.00 0.00 H new ATOM 0 HE2 TYR A 89 17.154 8.699 -2.607 1.00 0.00 H new ATOM 0 HH TYR A 89 14.565 10.646 -1.690 1.00 0.00 H new ATOM 1382 N ARG A 90 15.117 4.204 -3.493 1.00 0.00 N ATOM 1383 CA ARG A 90 15.287 3.954 -2.093 1.00 0.00 C ATOM 1384 C ARG A 90 16.055 5.099 -1.460 1.00 0.00 C ATOM 1385 O ARG A 90 17.161 5.418 -1.904 1.00 0.00 O ATOM 1386 CB ARG A 90 16.003 2.623 -1.864 1.00 0.00 C ATOM 1387 CG ARG A 90 15.247 1.411 -2.406 1.00 0.00 C ATOM 1388 CD ARG A 90 13.857 1.294 -1.790 1.00 0.00 C ATOM 1389 NE ARG A 90 13.913 1.226 -0.327 1.00 0.00 N ATOM 1390 CZ ARG A 90 12.947 1.621 0.508 1.00 0.00 C ATOM 1391 NH1 ARG A 90 11.788 2.062 0.039 1.00 0.00 N1+ ATOM 1392 NH2 ARG A 90 13.141 1.560 1.810 1.00 0.00 N ATOM 0 H ARG A 90 15.863 3.840 -4.086 1.00 0.00 H new ATOM 0 HA ARG A 90 14.306 3.887 -1.623 1.00 0.00 H new ATOM 0 HB2 ARG A 90 16.986 2.665 -2.333 1.00 0.00 H new ATOM 0 HB3 ARG A 90 16.166 2.489 -0.795 1.00 0.00 H new ATOM 0 HG2 ARG A 90 15.160 1.491 -3.490 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.815 0.504 -2.198 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.253 2.150 -2.091 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.362 0.403 -2.176 1.00 0.00 H new ATOM 0 HE ARG A 90 14.762 0.844 0.090 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.627 2.102 -0.967 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.057 2.361 0.685 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.026 1.212 2.178 1.00 0.00 H new ATOM 0 HH22 ARG A 90 12.406 1.861 2.450 1.00 0.00 H new ATOM 1406 N PRO A 91 15.466 5.769 -0.448 1.00 0.00 N ATOM 1407 CA PRO A 91 16.129 6.877 0.244 1.00 0.00 C ATOM 1408 C PRO A 91 17.393 6.386 0.941 1.00 0.00 C ATOM 1409 O PRO A 91 17.425 5.250 1.451 1.00 0.00 O ATOM 1410 CB PRO A 91 15.089 7.340 1.280 1.00 0.00 C ATOM 1411 CG PRO A 91 14.146 6.197 1.432 1.00 0.00 C ATOM 1412 CD PRO A 91 14.126 5.490 0.110 1.00 0.00 C ATOM 0 HA PRO A 91 16.436 7.675 -0.431 1.00 0.00 H new ATOM 0 HB2 PRO A 91 15.564 7.587 2.230 1.00 0.00 H new ATOM 0 HB3 PRO A 91 14.569 8.236 0.941 1.00 0.00 H new ATOM 0 HG2 PRO A 91 14.473 5.526 2.227 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.150 6.548 1.700 1.00 0.00 H new ATOM 0 HD2 PRO A 91 13.955 4.420 0.229 1.00 0.00 H new ATOM 0 HD3 PRO A 91 13.335 5.869 -0.537 1.00 0.00 H new ATOM 1420 N LYS A 92 18.430 7.198 0.961 1.00 0.00 N ATOM 1421 CA LYS A 92 19.662 6.753 1.569 1.00 0.00 C ATOM 1422 C LYS A 92 19.543 6.819 3.089 1.00 0.00 C ATOM 1423 O LYS A 92 19.045 7.804 3.648 1.00 0.00 O ATOM 1424 CB LYS A 92 20.862 7.575 1.050 1.00 0.00 C ATOM 1425 CG LYS A 92 21.084 7.440 -0.463 1.00 0.00 C ATOM 1426 CD LYS A 92 22.325 8.196 -0.970 1.00 0.00 C ATOM 1427 CE LYS A 92 23.617 7.632 -0.388 1.00 0.00 C ATOM 1428 NZ LYS A 92 24.830 8.277 -0.959 1.00 0.00 N1+ ATOM 0 H LYS A 92 18.445 8.142 0.575 1.00 0.00 H new ATOM 0 HA LYS A 92 19.843 5.715 1.288 1.00 0.00 H new ATOM 0 HB2 LYS A 92 20.706 8.626 1.295 1.00 0.00 H new ATOM 0 HB3 LYS A 92 21.764 7.256 1.572 1.00 0.00 H new ATOM 0 HG2 LYS A 92 21.183 6.384 -0.715 1.00 0.00 H new ATOM 0 HG3 LYS A 92 20.203 7.811 -0.986 1.00 0.00 H new ATOM 0 HD2 LYS A 92 22.363 8.141 -2.058 1.00 0.00 H new ATOM 0 HD3 LYS A 92 22.239 9.250 -0.707 1.00 0.00 H new ATOM 0 HE2 LYS A 92 23.613 7.767 0.694 1.00 0.00 H new ATOM 0 HE3 LYS A 92 23.658 6.559 -0.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 25.597 7.578 -1.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 24.614 8.643 -1.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 25.128 9.062 -0.345 1.00 0.00 H new ATOM 1442 N ARG A 93 20.025 5.787 3.744 1.00 0.00 N ATOM 1443 CA ARG A 93 19.920 5.666 5.185 1.00 0.00 C ATOM 1444 C ARG A 93 21.010 6.476 5.852 1.00 0.00 C ATOM 1445 O ARG A 93 20.817 7.034 6.907 1.00 0.00 O ATOM 1446 CB ARG A 93 19.943 4.172 5.596 1.00 0.00 C ATOM 1447 CG ARG A 93 19.514 3.854 7.038 1.00 0.00 C ATOM 1448 CD ARG A 93 20.563 4.178 8.084 1.00 0.00 C ATOM 1449 NE ARG A 93 21.784 3.393 7.902 1.00 0.00 N ATOM 1450 CZ ARG A 93 22.827 3.407 8.734 1.00 0.00 C ATOM 1451 NH1 ARG A 93 22.775 4.116 9.849 1.00 0.00 N1+ ATOM 1452 NH2 ARG A 93 23.905 2.684 8.459 1.00 0.00 N ATOM 0 H ARG A 93 20.502 5.006 3.294 1.00 0.00 H new ATOM 0 HA ARG A 93 18.968 6.073 5.524 1.00 0.00 H new ATOM 0 HB2 ARG A 93 19.293 3.620 4.917 1.00 0.00 H new ATOM 0 HB3 ARG A 93 20.954 3.792 5.449 1.00 0.00 H new ATOM 0 HG2 ARG A 93 18.605 4.411 7.266 1.00 0.00 H new ATOM 0 HG3 ARG A 93 19.264 2.795 7.106 1.00 0.00 H new ATOM 0 HD2 ARG A 93 20.805 5.240 8.037 1.00 0.00 H new ATOM 0 HD3 ARG A 93 20.155 3.988 9.077 1.00 0.00 H new ATOM 0 HE ARG A 93 21.842 2.792 7.080 1.00 0.00 H new ATOM 0 HH11 ARG A 93 21.937 4.653 10.074 1.00 0.00 H new ATOM 0 HH12 ARG A 93 23.573 4.126 10.485 1.00 0.00 H new ATOM 0 HH21 ARG A 93 23.936 2.117 7.611 1.00 0.00 H new ATOM 0 HH22 ARG A 93 24.702 2.695 9.095 1.00 0.00 H new ATOM 1466 N SER A 94 22.141 6.565 5.210 1.00 0.00 N ATOM 1467 CA SER A 94 23.253 7.326 5.731 1.00 0.00 C ATOM 1468 C SER A 94 22.911 8.815 5.723 1.00 0.00 C ATOM 1469 O SER A 94 23.411 9.587 6.534 1.00 0.00 O ATOM 1470 CB SER A 94 24.507 7.045 4.900 1.00 0.00 C ATOM 1471 OG SER A 94 25.656 7.708 5.413 1.00 0.00 O ATOM 0 H SER A 94 22.323 6.115 4.313 1.00 0.00 H new ATOM 0 HA SER A 94 23.450 7.027 6.760 1.00 0.00 H new ATOM 0 HB2 SER A 94 24.691 5.971 4.876 1.00 0.00 H new ATOM 0 HB3 SER A 94 24.337 7.362 3.871 1.00 0.00 H new ATOM 0 HG SER A 94 26.432 7.499 4.852 1.00 0.00 H new ATOM 1477 N LEU A 95 22.006 9.193 4.844 1.00 0.00 N ATOM 1478 CA LEU A 95 21.610 10.570 4.715 1.00 0.00 C ATOM 1479 C LEU A 95 20.291 10.797 5.406 1.00 0.00 C ATOM 1480 O LEU A 95 19.626 11.800 5.150 1.00 0.00 O ATOM 1481 CB LEU A 95 21.483 10.971 3.248 1.00 0.00 C ATOM 1482 CG LEU A 95 22.725 10.818 2.378 1.00 0.00 C ATOM 1483 CD1 LEU A 95 22.452 11.364 0.997 1.00 0.00 C ATOM 1484 CD2 LEU A 95 23.921 11.515 3.000 1.00 0.00 C ATOM 0 H LEU A 95 21.530 8.555 4.206 1.00 0.00 H new ATOM 0 HA LEU A 95 22.381 11.183 5.181 1.00 0.00 H new ATOM 0 HB2 LEU A 95 20.683 10.379 2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 95 21.168 12.014 3.208 1.00 0.00 H new ATOM 0 HG LEU A 95 22.964 9.757 2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 95 23.343 11.252 0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 95 21.626 10.815 0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 95 22.190 12.420 1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 95 24.791 11.388 2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 95 23.705 12.577 3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 95 24.127 11.081 3.978 1.00 0.00 H new ATOM 1496 N GLN A 96 19.937 9.896 6.316 1.00 0.00 N ATOM 1497 CA GLN A 96 18.656 9.955 7.022 1.00 0.00 C ATOM 1498 C GLN A 96 18.420 11.286 7.704 1.00 0.00 C ATOM 1499 O GLN A 96 17.319 11.813 7.648 1.00 0.00 O ATOM 1500 CB GLN A 96 18.501 8.816 8.015 1.00 0.00 C ATOM 1501 CG GLN A 96 19.580 8.732 9.085 1.00 0.00 C ATOM 1502 CD GLN A 96 19.348 7.574 10.021 1.00 0.00 C ATOM 1503 OE1 GLN A 96 18.105 7.283 10.294 1.00 0.00 O flip ATOM 1504 NE2 GLN A 96 20.294 6.969 10.527 1.00 0.00 N flip ATOM 0 H GLN A 96 20.524 9.107 6.586 1.00 0.00 H new ATOM 0 HA GLN A 96 17.892 9.845 6.252 1.00 0.00 H new ATOM 0 HB2 GLN A 96 17.533 8.914 8.506 1.00 0.00 H new ATOM 0 HB3 GLN A 96 18.485 7.876 7.464 1.00 0.00 H new ATOM 0 HG2 GLN A 96 20.556 8.627 8.610 1.00 0.00 H new ATOM 0 HG3 GLN A 96 19.601 9.661 9.654 1.00 0.00 H new ATOM 0 HE21 GLN A 96 21.251 7.227 10.287 1.00 0.00 H new ATOM 0 HE22 GLN A 96 20.120 6.210 11.186 1.00 0.00 H new ATOM 1513 N LYS A 97 19.478 11.861 8.294 1.00 0.00 N ATOM 1514 CA LYS A 97 19.360 13.147 8.970 1.00 0.00 C ATOM 1515 C LYS A 97 18.957 14.248 8.026 1.00 0.00 C ATOM 1516 O LYS A 97 18.412 15.233 8.451 1.00 0.00 O ATOM 1517 CB LYS A 97 20.631 13.550 9.715 1.00 0.00 C ATOM 1518 CG LYS A 97 20.980 12.689 10.914 1.00 0.00 C ATOM 1519 CD LYS A 97 19.882 12.680 11.986 1.00 0.00 C ATOM 1520 CE LYS A 97 19.553 14.075 12.531 1.00 0.00 C ATOM 1521 NZ LYS A 97 18.548 14.007 13.619 1.00 0.00 N1+ ATOM 0 H LYS A 97 20.414 11.455 8.313 1.00 0.00 H new ATOM 0 HA LYS A 97 18.570 13.009 9.708 1.00 0.00 H new ATOM 0 HB2 LYS A 97 21.466 13.525 9.015 1.00 0.00 H new ATOM 0 HB3 LYS A 97 20.525 14.582 10.048 1.00 0.00 H new ATOM 0 HG2 LYS A 97 21.162 11.668 10.580 1.00 0.00 H new ATOM 0 HG3 LYS A 97 21.909 13.050 11.356 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.978 12.239 11.566 1.00 0.00 H new ATOM 0 HD3 LYS A 97 20.195 12.040 12.811 1.00 0.00 H new ATOM 0 HE2 LYS A 97 20.463 14.546 12.903 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.176 14.703 11.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.039 14.912 13.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.872 13.242 13.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.027 13.819 14.523 1.00 0.00 H new ATOM 1535 N TYR A 98 19.224 14.077 6.745 1.00 0.00 N ATOM 1536 CA TYR A 98 18.827 15.061 5.774 1.00 0.00 C ATOM 1537 C TYR A 98 17.316 14.952 5.584 1.00 0.00 C ATOM 1538 O TYR A 98 16.609 15.939 5.688 1.00 0.00 O ATOM 1539 CB TYR A 98 19.572 14.854 4.426 1.00 0.00 C ATOM 1540 CG TYR A 98 19.291 15.909 3.380 1.00 0.00 C ATOM 1541 CD1 TYR A 98 18.127 15.892 2.608 1.00 0.00 C ATOM 1542 CD2 TYR A 98 20.200 16.918 3.162 1.00 0.00 C ATOM 1543 CE1 TYR A 98 17.894 16.863 1.658 1.00 0.00 C ATOM 1544 CE2 TYR A 98 19.976 17.881 2.212 1.00 0.00 C ATOM 1545 CZ TYR A 98 18.832 17.855 1.468 1.00 0.00 C ATOM 1546 OH TYR A 98 18.636 18.810 0.518 1.00 0.00 O ATOM 0 H TYR A 98 19.712 13.268 6.361 1.00 0.00 H new ATOM 0 HA TYR A 98 19.090 16.057 6.129 1.00 0.00 H new ATOM 0 HB2 TYR A 98 20.644 14.830 4.619 1.00 0.00 H new ATOM 0 HB3 TYR A 98 19.299 13.879 4.022 1.00 0.00 H new ATOM 0 HD1 TYR A 98 17.400 15.108 2.758 1.00 0.00 H new ATOM 0 HD2 TYR A 98 21.106 16.952 3.749 1.00 0.00 H new ATOM 0 HE1 TYR A 98 16.988 16.847 1.070 1.00 0.00 H new ATOM 0 HE2 TYR A 98 20.706 18.661 2.052 1.00 0.00 H new ATOM 0 HH TYR A 98 17.685 19.044 0.481 1.00 0.00 H new ATOM 1556 N TYR A 99 16.846 13.723 5.373 1.00 0.00 N ATOM 1557 CA TYR A 99 15.424 13.444 5.131 1.00 0.00 C ATOM 1558 C TYR A 99 14.570 13.839 6.327 1.00 0.00 C ATOM 1559 O TYR A 99 13.558 14.546 6.180 1.00 0.00 O ATOM 1560 CB TYR A 99 15.191 11.959 4.809 1.00 0.00 C ATOM 1561 CG TYR A 99 15.781 11.477 3.495 1.00 0.00 C ATOM 1562 CD1 TYR A 99 17.084 11.007 3.420 1.00 0.00 C ATOM 1563 CD2 TYR A 99 15.019 11.474 2.334 1.00 0.00 C ATOM 1564 CE1 TYR A 99 17.612 10.552 2.228 1.00 0.00 C ATOM 1565 CE2 TYR A 99 15.537 11.010 1.139 1.00 0.00 C ATOM 1566 CZ TYR A 99 16.834 10.550 1.093 1.00 0.00 C ATOM 1567 OH TYR A 99 17.354 10.071 -0.093 1.00 0.00 O ATOM 0 H TYR A 99 17.436 12.891 5.364 1.00 0.00 H new ATOM 0 HA TYR A 99 15.128 14.044 4.270 1.00 0.00 H new ATOM 0 HB2 TYR A 99 15.610 11.359 5.617 1.00 0.00 H new ATOM 0 HB3 TYR A 99 14.117 11.772 4.796 1.00 0.00 H new ATOM 0 HD1 TYR A 99 17.696 10.997 4.310 1.00 0.00 H new ATOM 0 HD2 TYR A 99 14.004 11.841 2.365 1.00 0.00 H new ATOM 0 HE1 TYR A 99 18.632 10.199 2.187 1.00 0.00 H new ATOM 0 HE2 TYR A 99 14.928 11.008 0.247 1.00 0.00 H new ATOM 0 HH TYR A 99 16.706 10.211 -0.815 1.00 0.00 H new ATOM 1577 N GLU A 100 14.976 13.398 7.510 1.00 0.00 N ATOM 1578 CA GLU A 100 14.238 13.729 8.706 1.00 0.00 C ATOM 1579 C GLU A 100 14.258 15.229 8.989 1.00 0.00 C ATOM 1580 O GLU A 100 13.231 15.789 9.307 1.00 0.00 O ATOM 1581 CB GLU A 100 14.637 12.875 9.930 1.00 0.00 C ATOM 1582 CG GLU A 100 16.118 12.835 10.235 1.00 0.00 C ATOM 1583 CD GLU A 100 16.437 12.084 11.486 1.00 0.00 C ATOM 1584 OE1 GLU A 100 16.485 12.704 12.561 1.00 0.00 O ATOM 1585 OE2 GLU A 100 16.675 10.869 11.418 1.00 0.00 O1- ATOM 0 H GLU A 100 15.802 12.818 7.660 1.00 0.00 H new ATOM 0 HA GLU A 100 13.200 13.463 8.508 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.113 13.258 10.806 1.00 0.00 H new ATOM 0 HB3 GLU A 100 14.288 11.855 9.770 1.00 0.00 H new ATOM 0 HG2 GLU A 100 16.643 12.375 9.398 1.00 0.00 H new ATOM 0 HG3 GLU A 100 16.492 13.855 10.325 1.00 0.00 H new ATOM 1592 N ALA A 101 15.410 15.890 8.780 1.00 0.00 N ATOM 1593 CA ALA A 101 15.521 17.348 8.988 1.00 0.00 C ATOM 1594 C ALA A 101 14.548 18.093 8.078 1.00 0.00 C ATOM 1595 O ALA A 101 14.019 19.147 8.441 1.00 0.00 O ATOM 1596 CB ALA A 101 16.944 17.831 8.736 1.00 0.00 C ATOM 0 H ALA A 101 16.273 15.443 8.469 1.00 0.00 H new ATOM 0 HA ALA A 101 15.266 17.558 10.027 1.00 0.00 H new ATOM 0 HB1 ALA A 101 16.996 18.908 8.896 1.00 0.00 H new ATOM 0 HB2 ALA A 101 17.626 17.328 9.422 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.229 17.603 7.709 1.00 0.00 H new ATOM 1602 N VAL A 102 14.316 17.527 6.907 1.00 0.00 N ATOM 1603 CA VAL A 102 13.368 18.061 5.957 1.00 0.00 C ATOM 1604 C VAL A 102 11.946 18.012 6.523 1.00 0.00 C ATOM 1605 O VAL A 102 11.250 19.035 6.601 1.00 0.00 O ATOM 1606 CB VAL A 102 13.438 17.299 4.591 1.00 0.00 C ATOM 1607 CG1 VAL A 102 12.235 17.603 3.703 1.00 0.00 C ATOM 1608 CG2 VAL A 102 14.720 17.652 3.851 1.00 0.00 C ATOM 0 H VAL A 102 14.785 16.679 6.590 1.00 0.00 H new ATOM 0 HA VAL A 102 13.635 19.102 5.775 1.00 0.00 H new ATOM 0 HB VAL A 102 13.427 16.233 4.818 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.326 17.053 2.766 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.320 17.301 4.214 1.00 0.00 H new ATOM 0 HG13 VAL A 102 12.198 18.672 3.494 1.00 0.00 H new ATOM 0 HG21 VAL A 102 14.753 17.114 2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 102 14.746 18.725 3.660 1.00 0.00 H new ATOM 0 HG23 VAL A 102 15.580 17.370 4.458 1.00 0.00 H new ATOM 1618 N LYS A 103 11.524 16.848 6.965 1.00 0.00 N ATOM 1619 CA LYS A 103 10.160 16.722 7.435 1.00 0.00 C ATOM 1620 C LYS A 103 9.958 17.259 8.826 1.00 0.00 C ATOM 1621 O LYS A 103 8.844 17.581 9.185 1.00 0.00 O ATOM 1622 CB LYS A 103 9.612 15.329 7.293 1.00 0.00 C ATOM 1623 CG LYS A 103 10.298 14.281 8.137 1.00 0.00 C ATOM 1624 CD LYS A 103 9.767 12.894 7.801 1.00 0.00 C ATOM 1625 CE LYS A 103 9.860 12.609 6.301 1.00 0.00 C ATOM 1626 NZ LYS A 103 9.345 11.291 5.940 1.00 0.00 N1+ ATOM 0 H LYS A 103 12.085 15.997 7.010 1.00 0.00 H new ATOM 0 HA LYS A 103 9.576 17.358 6.769 1.00 0.00 H new ATOM 0 HB2 LYS A 103 8.553 15.344 7.550 1.00 0.00 H new ATOM 0 HB3 LYS A 103 9.682 15.033 6.246 1.00 0.00 H new ATOM 0 HG2 LYS A 103 11.374 14.316 7.967 1.00 0.00 H new ATOM 0 HG3 LYS A 103 10.135 14.493 9.194 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.333 12.143 8.351 1.00 0.00 H new ATOM 0 HD3 LYS A 103 8.730 12.812 8.125 1.00 0.00 H new ATOM 0 HE2 LYS A 103 9.304 13.372 5.756 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.901 12.686 5.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 9.480 11.133 4.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 9.856 10.560 6.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 8.331 11.240 6.167 1.00 0.00 H new ATOM 1640 N GLU A 104 11.026 17.400 9.610 1.00 0.00 N ATOM 1641 CA GLU A 104 10.885 18.013 10.929 1.00 0.00 C ATOM 1642 C GLU A 104 10.417 19.476 10.779 1.00 0.00 C ATOM 1643 O GLU A 104 9.922 20.081 11.715 1.00 0.00 O ATOM 1644 CB GLU A 104 12.167 17.953 11.776 1.00 0.00 C ATOM 1645 CG GLU A 104 12.644 16.557 12.165 1.00 0.00 C ATOM 1646 CD GLU A 104 11.619 15.735 12.923 1.00 0.00 C ATOM 1647 OE1 GLU A 104 11.274 16.074 14.084 1.00 0.00 O ATOM 1648 OE2 GLU A 104 11.185 14.698 12.407 1.00 0.00 O1- ATOM 0 H GLU A 104 11.972 17.108 9.365 1.00 0.00 H new ATOM 0 HA GLU A 104 10.137 17.429 11.465 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.967 18.449 11.226 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.004 18.527 12.688 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.928 16.018 11.261 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.542 16.650 12.776 1.00 0.00 H new ATOM 1655 N GLU A 105 10.619 20.024 9.590 1.00 0.00 N ATOM 1656 CA GLU A 105 10.134 21.336 9.227 1.00 0.00 C ATOM 1657 C GLU A 105 8.702 21.224 8.702 1.00 0.00 C ATOM 1658 O GLU A 105 7.760 21.739 9.300 1.00 0.00 O ATOM 1659 CB GLU A 105 11.002 21.937 8.115 1.00 0.00 C ATOM 1660 CG GLU A 105 12.450 22.142 8.480 1.00 0.00 C ATOM 1661 CD GLU A 105 12.613 23.114 9.601 1.00 0.00 C ATOM 1662 OE1 GLU A 105 12.532 24.334 9.358 1.00 0.00 O1- ATOM 1663 OE2 GLU A 105 12.808 22.683 10.756 1.00 0.00 O ATOM 0 H GLU A 105 11.133 19.558 8.843 1.00 0.00 H new ATOM 0 HA GLU A 105 10.171 21.973 10.111 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.951 21.286 7.243 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.577 22.897 7.821 1.00 0.00 H new ATOM 0 HG2 GLU A 105 12.891 21.186 8.762 1.00 0.00 H new ATOM 0 HG3 GLU A 105 12.996 22.500 7.608 1.00 0.00 H new ATOM 1670 N LEU A 106 8.561 20.489 7.609 1.00 0.00 N ATOM 1671 CA LEU A 106 7.303 20.370 6.857 1.00 0.00 C ATOM 1672 C LEU A 106 6.158 19.784 7.684 1.00 0.00 C ATOM 1673 O LEU A 106 5.045 20.321 7.701 1.00 0.00 O ATOM 1674 CB LEU A 106 7.523 19.510 5.608 1.00 0.00 C ATOM 1675 CG LEU A 106 8.683 19.924 4.694 1.00 0.00 C ATOM 1676 CD1 LEU A 106 8.753 19.033 3.475 1.00 0.00 C ATOM 1677 CD2 LEU A 106 8.575 21.378 4.285 1.00 0.00 C ATOM 0 H LEU A 106 9.325 19.946 7.206 1.00 0.00 H new ATOM 0 HA LEU A 106 7.010 21.382 6.579 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.689 18.481 5.926 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.605 19.518 5.021 1.00 0.00 H new ATOM 0 HG LEU A 106 9.606 19.805 5.262 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.583 19.347 2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.905 18.000 3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.821 19.109 2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.413 21.637 3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.640 21.536 3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.595 22.008 5.174 1.00 0.00 H new ATOM 1689 N ASP A 107 6.454 18.726 8.416 1.00 0.00 N ATOM 1690 CA ASP A 107 5.449 17.975 9.176 1.00 0.00 C ATOM 1691 C ASP A 107 4.857 18.784 10.319 1.00 0.00 C ATOM 1692 O ASP A 107 3.796 18.471 10.809 1.00 0.00 O ATOM 1693 CB ASP A 107 6.030 16.634 9.656 1.00 0.00 C ATOM 1694 CG ASP A 107 5.113 15.799 10.511 1.00 0.00 C ATOM 1695 OD1 ASP A 107 4.192 15.165 9.966 1.00 0.00 O ATOM 1696 OD2 ASP A 107 5.373 15.689 11.726 1.00 0.00 O1- ATOM 0 H ASP A 107 7.400 18.355 8.506 1.00 0.00 H new ATOM 0 HA ASP A 107 4.618 17.762 8.503 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.317 16.049 8.782 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.942 16.834 10.219 1.00 0.00 H new ATOM 1701 N ARG A 108 5.496 19.891 10.668 1.00 0.00 N ATOM 1702 CA ARG A 108 4.990 20.750 11.745 1.00 0.00 C ATOM 1703 C ARG A 108 3.691 21.415 11.326 1.00 0.00 C ATOM 1704 O ARG A 108 2.902 21.809 12.160 1.00 0.00 O ATOM 1705 CB ARG A 108 5.991 21.838 12.123 1.00 0.00 C ATOM 1706 CG ARG A 108 7.334 21.332 12.582 1.00 0.00 C ATOM 1707 CD ARG A 108 7.244 20.497 13.842 1.00 0.00 C ATOM 1708 NE ARG A 108 6.815 21.284 15.009 1.00 0.00 N ATOM 1709 CZ ARG A 108 7.036 20.926 16.275 1.00 0.00 C ATOM 1710 NH1 ARG A 108 7.638 19.777 16.543 1.00 0.00 N1+ ATOM 1711 NH2 ARG A 108 6.665 21.715 17.276 1.00 0.00 N ATOM 0 H ARG A 108 6.357 20.219 10.231 1.00 0.00 H new ATOM 0 HA ARG A 108 4.825 20.108 12.610 1.00 0.00 H new ATOM 0 HB2 ARG A 108 6.139 22.490 11.262 1.00 0.00 H new ATOM 0 HB3 ARG A 108 5.559 22.449 12.915 1.00 0.00 H new ATOM 0 HG2 ARG A 108 7.784 20.737 11.788 1.00 0.00 H new ATOM 0 HG3 ARG A 108 7.996 22.180 12.759 1.00 0.00 H new ATOM 0 HD2 ARG A 108 6.543 19.678 13.682 1.00 0.00 H new ATOM 0 HD3 ARG A 108 8.216 20.049 14.047 1.00 0.00 H new ATOM 0 HE ARG A 108 6.317 22.158 14.839 1.00 0.00 H new ATOM 0 HH11 ARG A 108 7.933 19.166 15.781 1.00 0.00 H new ATOM 0 HH12 ARG A 108 7.807 19.503 17.511 1.00 0.00 H new ATOM 0 HH21 ARG A 108 6.206 22.605 17.081 1.00 0.00 H new ATOM 0 HH22 ARG A 108 6.839 21.431 18.240 1.00 0.00 H new ATOM 1725 N ASP A 109 3.481 21.547 10.037 1.00 0.00 N ATOM 1726 CA ASP A 109 2.257 22.161 9.563 1.00 0.00 C ATOM 1727 C ASP A 109 1.253 21.075 9.218 1.00 0.00 C ATOM 1728 O ASP A 109 0.051 21.312 9.143 1.00 0.00 O ATOM 1729 CB ASP A 109 2.524 23.050 8.349 1.00 0.00 C ATOM 1730 CG ASP A 109 1.348 23.959 8.019 1.00 0.00 C ATOM 1731 OD1 ASP A 109 1.177 25.001 8.700 1.00 0.00 O ATOM 1732 OD2 ASP A 109 0.605 23.691 7.060 1.00 0.00 O1- ATOM 0 H ASP A 109 4.127 21.245 9.307 1.00 0.00 H new ATOM 0 HA ASP A 109 1.850 22.794 10.352 1.00 0.00 H new ATOM 0 HB2 ASP A 109 3.408 23.659 8.537 1.00 0.00 H new ATOM 0 HB3 ASP A 109 2.747 22.423 7.486 1.00 0.00 H new ATOM 1737 N ILE A 110 1.762 19.870 9.048 1.00 0.00 N ATOM 1738 CA ILE A 110 0.947 18.718 8.705 1.00 0.00 C ATOM 1739 C ILE A 110 0.321 18.146 9.967 1.00 0.00 C ATOM 1740 O ILE A 110 -0.879 17.824 10.000 1.00 0.00 O ATOM 1741 CB ILE A 110 1.794 17.609 8.013 1.00 0.00 C ATOM 1742 CG1 ILE A 110 2.487 18.180 6.773 1.00 0.00 C ATOM 1743 CG2 ILE A 110 0.917 16.406 7.635 1.00 0.00 C ATOM 1744 CD1 ILE A 110 3.392 17.209 6.054 1.00 0.00 C ATOM 0 H ILE A 110 2.756 19.661 9.144 1.00 0.00 H new ATOM 0 HA ILE A 110 0.174 19.047 8.011 1.00 0.00 H new ATOM 0 HB ILE A 110 2.553 17.263 8.714 1.00 0.00 H new ATOM 0 HG12 ILE A 110 1.725 18.530 6.076 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.072 19.051 7.069 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.531 15.645 7.153 1.00 0.00 H new ATOM 0 HG22 ILE A 110 0.463 15.990 8.534 1.00 0.00 H new ATOM 0 HG23 ILE A 110 0.134 16.728 6.949 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.839 17.700 5.190 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.180 16.877 6.730 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.812 16.348 5.722 1.00 0.00 H new ATOM 1973 N ILE B 206 24.984 15.528 8.419 1.00 0.00 N ATOM 1974 CA ILE B 206 25.259 15.340 7.028 1.00 0.00 C ATOM 1975 C ILE B 206 25.869 16.626 6.599 1.00 0.00 C ATOM 1976 O ILE B 206 25.534 17.662 7.162 1.00 0.00 O ATOM 1977 CB ILE B 206 23.971 15.140 6.184 1.00 0.00 C ATOM 1978 CG1 ILE B 206 22.962 14.205 6.873 1.00 0.00 C ATOM 1979 CG2 ILE B 206 24.321 14.597 4.797 1.00 0.00 C ATOM 1980 CD1 ILE B 206 23.483 12.806 7.153 1.00 0.00 C ATOM 0 HA ILE B 206 25.881 14.457 6.885 1.00 0.00 H new ATOM 0 HB ILE B 206 23.499 16.118 6.085 1.00 0.00 H new ATOM 0 HG12 ILE B 206 22.652 14.658 7.815 1.00 0.00 H new ATOM 0 HG13 ILE B 206 22.072 14.129 6.248 1.00 0.00 H new ATOM 0 HG21 ILE B 206 23.407 14.462 4.218 1.00 0.00 H new ATOM 0 HG22 ILE B 206 24.975 15.303 4.284 1.00 0.00 H new ATOM 0 HG23 ILE B 206 24.830 13.639 4.899 1.00 0.00 H new ATOM 0 HD11 ILE B 206 22.704 12.218 7.639 1.00 0.00 H new ATOM 0 HD12 ILE B 206 23.765 12.328 6.215 1.00 0.00 H new ATOM 0 HD13 ILE B 206 24.354 12.866 7.806 1.00 0.00 H new ATOM 1992 N ASP B 207 26.711 16.586 5.626 1.00 0.00 N ATOM 1993 CA ASP B 207 27.408 17.773 5.175 1.00 0.00 C ATOM 1994 C ASP B 207 26.489 18.700 4.408 1.00 0.00 C ATOM 1995 O ASP B 207 26.694 19.909 4.373 1.00 0.00 O ATOM 1996 CB ASP B 207 28.552 17.357 4.295 1.00 0.00 C ATOM 1997 CG ASP B 207 29.452 18.515 3.911 1.00 0.00 C ATOM 1998 OD1 ASP B 207 30.383 18.844 4.686 1.00 0.00 O1- ATOM 1999 OD2 ASP B 207 29.257 19.103 2.830 1.00 0.00 O ATOM 0 H ASP B 207 26.946 15.738 5.111 1.00 0.00 H new ATOM 0 HA ASP B 207 27.773 18.314 6.048 1.00 0.00 H new ATOM 0 HB2 ASP B 207 29.143 16.599 4.810 1.00 0.00 H new ATOM 0 HB3 ASP B 207 28.158 16.894 3.390 1.00 0.00 H new ATOM 2004 N ILE B 208 25.451 18.128 3.837 1.00 0.00 N ATOM 2005 CA ILE B 208 24.553 18.888 3.002 1.00 0.00 C ATOM 2006 C ILE B 208 23.597 19.699 3.872 1.00 0.00 C ATOM 2007 O ILE B 208 23.724 20.919 3.980 1.00 0.00 O ATOM 2008 CB ILE B 208 23.686 17.993 2.064 1.00 0.00 C ATOM 2009 CG1 ILE B 208 24.355 16.638 1.786 1.00 0.00 C ATOM 2010 CG2 ILE B 208 23.460 18.733 0.751 1.00 0.00 C ATOM 2011 CD1 ILE B 208 23.525 15.699 0.933 1.00 0.00 C ATOM 0 H ILE B 208 25.210 17.142 3.937 1.00 0.00 H new ATOM 0 HA ILE B 208 25.183 19.529 2.386 1.00 0.00 H new ATOM 0 HB ILE B 208 22.737 17.793 2.561 1.00 0.00 H new ATOM 0 HG12 ILE B 208 25.310 16.812 1.291 1.00 0.00 H new ATOM 0 HG13 ILE B 208 24.573 16.151 2.737 1.00 0.00 H new ATOM 0 HG21 ILE B 208 22.855 18.117 0.086 1.00 0.00 H new ATOM 0 HG22 ILE B 208 22.943 19.672 0.947 1.00 0.00 H new ATOM 0 HG23 ILE B 208 24.421 18.940 0.280 1.00 0.00 H new ATOM 0 HD11 ILE B 208 24.069 14.766 0.784 1.00 0.00 H new ATOM 0 HD12 ILE B 208 22.580 15.492 1.434 1.00 0.00 H new ATOM 0 HD13 ILE B 208 23.329 16.163 -0.034 1.00 0.00 H new ATOM 2023 N MET B 209 22.650 18.972 4.517 1.00 0.00 N ATOM 2024 CA MET B 209 21.563 19.553 5.341 1.00 0.00 C ATOM 2025 C MET B 209 20.584 20.376 4.452 1.00 0.00 C ATOM 2026 O MET B 209 20.941 20.796 3.358 1.00 0.00 O ATOM 2027 CB MET B 209 22.120 20.368 6.542 1.00 0.00 C ATOM 2028 CG MET B 209 22.884 19.536 7.603 1.00 0.00 C ATOM 2029 SD MET B 209 21.863 18.754 8.913 1.00 0.00 S ATOM 2030 CE MET B 209 20.908 17.526 8.031 1.00 0.00 C ATOM 0 H MET B 209 22.621 17.953 4.478 1.00 0.00 H new ATOM 0 HA MET B 209 20.990 18.736 5.779 1.00 0.00 H new ATOM 0 HB2 MET B 209 22.787 21.140 6.159 1.00 0.00 H new ATOM 0 HB3 MET B 209 21.290 20.878 7.031 1.00 0.00 H new ATOM 0 HG2 MET B 209 23.439 18.752 7.088 1.00 0.00 H new ATOM 0 HG3 MET B 209 23.618 20.184 8.082 1.00 0.00 H new ATOM 0 HE1 MET B 209 20.660 16.705 8.704 1.00 0.00 H new ATOM 0 HE2 MET B 209 19.989 17.979 7.658 1.00 0.00 H new ATOM 0 HE3 MET B 209 21.491 17.145 7.193 1.00 0.00 H new ATOM 2040 N PRO B 210 19.323 20.538 4.853 1.00 0.00 N ATOM 2041 CA PRO B 210 18.353 21.277 4.038 1.00 0.00 C ATOM 2042 C PRO B 210 18.574 22.803 4.070 1.00 0.00 C ATOM 2043 O PRO B 210 19.023 23.372 5.085 1.00 0.00 O ATOM 2044 CB PRO B 210 17.015 20.907 4.666 1.00 0.00 C ATOM 2045 CG PRO B 210 17.328 20.592 6.085 1.00 0.00 C ATOM 2046 CD PRO B 210 18.715 20.015 6.092 1.00 0.00 C ATOM 0 HA PRO B 210 18.432 21.018 2.982 1.00 0.00 H new ATOM 0 HB2 PRO B 210 16.304 21.730 4.592 1.00 0.00 H new ATOM 0 HB3 PRO B 210 16.566 20.051 4.162 1.00 0.00 H new ATOM 0 HG2 PRO B 210 17.277 21.488 6.703 1.00 0.00 H new ATOM 0 HG3 PRO B 210 16.609 19.882 6.493 1.00 0.00 H new ATOM 0 HD2 PRO B 210 19.274 20.328 6.974 1.00 0.00 H new ATOM 0 HD3 PRO B 210 18.694 18.925 6.098 1.00 0.00 H new ATOM 2054 N ASP B 211 18.279 23.443 2.968 1.00 0.00 N ATOM 2055 CA ASP B 211 18.400 24.886 2.823 1.00 0.00 C ATOM 2056 C ASP B 211 17.046 25.524 3.025 1.00 0.00 C ATOM 2057 O ASP B 211 16.843 26.290 3.964 1.00 0.00 O ATOM 2058 CB ASP B 211 18.935 25.261 1.419 1.00 0.00 C ATOM 2059 CG ASP B 211 18.969 26.764 1.173 1.00 0.00 C ATOM 2060 OD1 ASP B 211 19.891 27.453 1.671 1.00 0.00 O ATOM 2061 OD2 ASP B 211 18.086 27.277 0.451 1.00 0.00 O1- ATOM 0 H ASP B 211 17.941 22.975 2.127 1.00 0.00 H new ATOM 0 HA ASP B 211 19.105 25.249 3.571 1.00 0.00 H new ATOM 0 HB2 ASP B 211 19.940 24.857 1.300 1.00 0.00 H new ATOM 0 HB3 ASP B 211 18.310 24.789 0.661 1.00 0.00 H new ATOM 2066 N PHE B 212 16.111 25.142 2.159 1.00 0.00 N ATOM 2067 CA PHE B 212 14.739 25.675 2.131 1.00 0.00 C ATOM 2068 C PHE B 212 14.681 27.186 1.893 1.00 0.00 C ATOM 2069 O PHE B 212 14.612 27.972 2.838 1.00 0.00 O ATOM 2070 CB PHE B 212 13.918 25.325 3.383 1.00 0.00 C ATOM 2071 CG PHE B 212 13.720 23.866 3.624 1.00 0.00 C ATOM 2072 CD1 PHE B 212 13.206 23.053 2.638 1.00 0.00 C ATOM 2073 CD2 PHE B 212 14.017 23.314 4.852 1.00 0.00 C ATOM 2074 CE1 PHE B 212 12.996 21.717 2.867 1.00 0.00 C ATOM 2075 CE2 PHE B 212 13.811 21.976 5.086 1.00 0.00 C ATOM 2076 CZ PHE B 212 13.299 21.181 4.091 1.00 0.00 C ATOM 0 H PHE B 212 16.283 24.439 1.440 1.00 0.00 H new ATOM 0 HA PHE B 212 14.285 25.174 1.276 1.00 0.00 H new ATOM 0 HB2 PHE B 212 14.411 25.757 4.254 1.00 0.00 H new ATOM 0 HB3 PHE B 212 12.940 25.800 3.301 1.00 0.00 H new ATOM 0 HD1 PHE B 212 12.965 23.473 1.672 1.00 0.00 H new ATOM 0 HD2 PHE B 212 14.415 23.939 5.637 1.00 0.00 H new ATOM 0 HE1 PHE B 212 12.593 21.090 2.085 1.00 0.00 H new ATOM 0 HE2 PHE B 212 14.051 21.551 6.049 1.00 0.00 H new ATOM 0 HZ PHE B 212 13.134 20.129 4.274 1.00 0.00 H new ATOM 2086 N SER B 213 14.750 27.586 0.647 1.00 0.00 N ATOM 2087 CA SER B 213 14.607 28.974 0.267 1.00 0.00 C ATOM 2088 C SER B 213 13.956 29.005 -1.108 1.00 0.00 C ATOM 2089 O SER B 213 14.190 28.089 -1.899 1.00 0.00 O ATOM 2090 CB SER B 213 15.983 29.642 0.179 1.00 0.00 C ATOM 2091 OG SER B 213 16.754 29.405 1.355 1.00 0.00 O ATOM 0 H SER B 213 14.908 26.955 -0.139 1.00 0.00 H new ATOM 0 HA SER B 213 14.006 29.506 1.005 1.00 0.00 H new ATOM 0 HB2 SER B 213 16.518 29.262 -0.691 1.00 0.00 H new ATOM 0 HB3 SER B 213 15.859 30.715 0.034 1.00 0.00 H new ATOM 0 HG SER B 213 17.185 28.527 1.292 1.00 0.00 H new ATOM 2097 N PRO B 214 13.074 29.974 -1.390 1.00 0.00 N ATOM 2098 CA PRO B 214 12.534 30.152 -2.736 1.00 0.00 C ATOM 2099 C PRO B 214 13.539 30.822 -3.605 1.00 0.00 C ATOM 2100 O PRO B 214 14.470 31.474 -3.102 1.00 0.00 O ATOM 2101 CB PRO B 214 11.408 31.145 -2.564 1.00 0.00 C ATOM 2102 CG PRO B 214 11.746 31.896 -1.321 1.00 0.00 C ATOM 2103 CD PRO B 214 12.494 30.940 -0.434 1.00 0.00 C ATOM 0 HA PRO B 214 12.243 29.197 -3.173 1.00 0.00 H new ATOM 0 HB2 PRO B 214 11.336 31.813 -3.422 1.00 0.00 H new ATOM 0 HB3 PRO B 214 10.446 30.640 -2.472 1.00 0.00 H new ATOM 0 HG2 PRO B 214 12.355 32.770 -1.550 1.00 0.00 H new ATOM 0 HG3 PRO B 214 10.843 32.257 -0.828 1.00 0.00 H new ATOM 0 HD2 PRO B 214 13.266 31.448 0.144 1.00 0.00 H new ATOM 0 HD3 PRO B 214 11.831 30.451 0.280 1.00 0.00 H new ATOM 2111 N SER B 215 13.399 30.685 -4.866 1.00 0.00 N ATOM 2112 CA SER B 215 14.194 31.436 -5.713 1.00 0.00 C ATOM 2113 C SER B 215 13.456 32.725 -6.017 1.00 0.00 C ATOM 2114 O SER B 215 12.254 32.886 -5.745 1.00 0.00 O ATOM 2115 CB SER B 215 14.504 30.698 -7.007 1.00 0.00 C ATOM 2116 OG SER B 215 13.363 30.663 -7.848 1.00 0.00 O ATOM 0 H SER B 215 12.738 30.056 -5.322 1.00 0.00 H new ATOM 0 HA SER B 215 15.148 31.634 -5.225 1.00 0.00 H new ATOM 0 HB2 SER B 215 15.328 31.190 -7.524 1.00 0.00 H new ATOM 0 HB3 SER B 215 14.829 29.682 -6.783 1.00 0.00 H new ATOM 0 HG SER B 215 12.840 29.857 -7.657 1.00 0.00 H new ATOM 2122 N GLY B 216 14.172 33.595 -6.539 1.00 0.00 N ATOM 2123 CA GLY B 216 13.684 34.849 -7.008 1.00 0.00 C ATOM 2124 C GLY B 216 13.100 34.706 -8.382 1.00 0.00 C ATOM 2125 O GLY B 216 12.370 35.576 -8.837 1.00 0.00 O ATOM 0 H GLY B 216 15.176 33.476 -6.673 1.00 0.00 H new ATOM 0 HA2 GLY B 216 12.927 35.230 -6.323 1.00 0.00 H new ATOM 0 HA3 GLY B 216 14.494 35.578 -7.025 1.00 0.00 H new ATOM 2129 N LEU B 217 13.404 33.575 -9.045 1.00 0.00 N ATOM 2130 CA LEU B 217 12.852 33.295 -10.358 1.00 0.00 C ATOM 2131 C LEU B 217 11.377 33.132 -10.159 1.00 0.00 C ATOM 2132 O LEU B 217 10.566 33.780 -10.794 1.00 0.00 O ATOM 2133 CB LEU B 217 13.384 31.950 -10.914 1.00 0.00 C ATOM 2134 CG LEU B 217 14.894 31.709 -10.881 1.00 0.00 C ATOM 2135 CD1 LEU B 217 15.231 30.369 -11.481 1.00 0.00 C ATOM 2136 CD2 LEU B 217 15.636 32.790 -11.595 1.00 0.00 C ATOM 0 H LEU B 217 14.027 32.852 -8.685 1.00 0.00 H new ATOM 0 HA LEU B 217 13.119 34.094 -11.050 1.00 0.00 H new ATOM 0 HB2 LEU B 217 12.905 31.145 -10.357 1.00 0.00 H new ATOM 0 HB3 LEU B 217 13.054 31.862 -11.949 1.00 0.00 H new ATOM 0 HG LEU B 217 15.204 31.718 -9.836 1.00 0.00 H new ATOM 0 HD11 LEU B 217 16.310 30.217 -11.448 1.00 0.00 H new ATOM 0 HD12 LEU B 217 14.736 29.581 -10.913 1.00 0.00 H new ATOM 0 HD13 LEU B 217 14.892 30.338 -12.516 1.00 0.00 H new ATOM 0 HD21 LEU B 217 16.706 32.587 -11.552 1.00 0.00 H new ATOM 0 HD22 LEU B 217 15.315 32.825 -12.636 1.00 0.00 H new ATOM 0 HD23 LEU B 217 15.429 33.749 -11.119 1.00 0.00 H new ATOM 2148 N LEU B 218 11.087 32.319 -9.170 1.00 0.00 N ATOM 2149 CA LEU B 218 9.776 31.868 -8.780 1.00 0.00 C ATOM 2150 C LEU B 218 8.733 32.989 -8.757 1.00 0.00 C ATOM 2151 O LEU B 218 7.738 32.950 -9.496 1.00 0.00 O ATOM 2152 CB LEU B 218 9.903 31.255 -7.392 1.00 0.00 C ATOM 2153 CG LEU B 218 9.146 29.939 -7.171 1.00 0.00 C ATOM 2154 CD1 LEU B 218 7.658 30.126 -7.343 1.00 0.00 C ATOM 2155 CD2 LEU B 218 9.634 28.902 -8.148 1.00 0.00 C ATOM 0 H LEU B 218 11.817 31.928 -8.575 1.00 0.00 H new ATOM 0 HA LEU B 218 9.425 31.146 -9.517 1.00 0.00 H new ATOM 0 HB2 LEU B 218 10.960 31.083 -7.187 1.00 0.00 H new ATOM 0 HB3 LEU B 218 9.550 31.982 -6.661 1.00 0.00 H new ATOM 0 HG LEU B 218 9.336 29.609 -6.150 1.00 0.00 H new ATOM 0 HD11 LEU B 218 7.151 29.175 -7.180 1.00 0.00 H new ATOM 0 HD12 LEU B 218 7.297 30.858 -6.621 1.00 0.00 H new ATOM 0 HD13 LEU B 218 7.450 30.480 -8.353 1.00 0.00 H new ATOM 0 HD21 LEU B 218 9.094 27.969 -7.988 1.00 0.00 H new ATOM 0 HD22 LEU B 218 9.461 29.251 -9.166 1.00 0.00 H new ATOM 0 HD23 LEU B 218 10.701 28.734 -7.998 1.00 0.00 H new ATOM 2167 N GLU B 219 8.982 33.980 -7.937 1.00 0.00 N ATOM 2168 CA GLU B 219 8.057 35.080 -7.747 1.00 0.00 C ATOM 2169 C GLU B 219 7.859 35.905 -9.030 1.00 0.00 C ATOM 2170 O GLU B 219 6.768 36.421 -9.287 1.00 0.00 O ATOM 2171 CB GLU B 219 8.520 35.953 -6.571 1.00 0.00 C ATOM 2172 CG GLU B 219 9.939 36.480 -6.708 1.00 0.00 C ATOM 2173 CD GLU B 219 10.373 37.292 -5.524 1.00 0.00 C ATOM 2174 OE1 GLU B 219 10.035 38.480 -5.455 1.00 0.00 O ATOM 2175 OE2 GLU B 219 11.082 36.763 -4.646 1.00 0.00 O1- ATOM 0 H GLU B 219 9.833 34.051 -7.379 1.00 0.00 H new ATOM 0 HA GLU B 219 7.079 34.663 -7.506 1.00 0.00 H new ATOM 0 HB2 GLU B 219 7.839 36.798 -6.470 1.00 0.00 H new ATOM 0 HB3 GLU B 219 8.447 35.373 -5.651 1.00 0.00 H new ATOM 0 HG2 GLU B 219 10.623 35.641 -6.838 1.00 0.00 H new ATOM 0 HG3 GLU B 219 10.010 37.091 -7.608 1.00 0.00 H new ATOM 2182 N LEU B 220 8.886 35.971 -9.852 1.00 0.00 N ATOM 2183 CA LEU B 220 8.841 36.760 -11.068 1.00 0.00 C ATOM 2184 C LEU B 220 8.178 35.997 -12.212 1.00 0.00 C ATOM 2185 O LEU B 220 7.541 36.604 -13.080 1.00 0.00 O ATOM 2186 CB LEU B 220 10.245 37.212 -11.467 1.00 0.00 C ATOM 2187 CG LEU B 220 10.977 38.091 -10.448 1.00 0.00 C ATOM 2188 CD1 LEU B 220 12.372 38.413 -10.935 1.00 0.00 C ATOM 2189 CD2 LEU B 220 10.200 39.375 -10.181 1.00 0.00 C ATOM 0 H LEU B 220 9.769 35.484 -9.699 1.00 0.00 H new ATOM 0 HA LEU B 220 8.233 37.642 -10.865 1.00 0.00 H new ATOM 0 HB2 LEU B 220 10.851 36.326 -11.656 1.00 0.00 H new ATOM 0 HB3 LEU B 220 10.177 37.759 -12.408 1.00 0.00 H new ATOM 0 HG LEU B 220 11.052 37.536 -9.513 1.00 0.00 H new ATOM 0 HD11 LEU B 220 12.879 39.038 -10.200 1.00 0.00 H new ATOM 0 HD12 LEU B 220 12.932 37.488 -11.072 1.00 0.00 H new ATOM 0 HD13 LEU B 220 12.312 38.945 -11.884 1.00 0.00 H new ATOM 0 HD21 LEU B 220 10.740 39.982 -9.454 1.00 0.00 H new ATOM 0 HD22 LEU B 220 10.090 39.934 -11.111 1.00 0.00 H new ATOM 0 HD23 LEU B 220 9.214 39.128 -9.787 1.00 0.00 H new ATOM 2201 N GLU B 221 8.331 34.682 -12.222 1.00 0.00 N ATOM 2202 CA GLU B 221 7.736 33.841 -13.264 1.00 0.00 C ATOM 2203 C GLU B 221 6.221 33.872 -13.157 1.00 0.00 C ATOM 2204 O GLU B 221 5.530 34.115 -14.156 1.00 0.00 O ATOM 2205 CB GLU B 221 8.231 32.394 -13.162 1.00 0.00 C ATOM 2206 CG GLU B 221 9.741 32.242 -13.242 1.00 0.00 C ATOM 2207 CD GLU B 221 10.337 32.796 -14.505 1.00 0.00 C ATOM 2208 OE1 GLU B 221 10.428 32.057 -15.510 1.00 0.00 O1- ATOM 2209 OE2 GLU B 221 10.746 33.961 -14.520 1.00 0.00 O ATOM 0 H GLU B 221 8.863 34.167 -11.520 1.00 0.00 H new ATOM 0 HA GLU B 221 8.042 34.240 -14.231 1.00 0.00 H new ATOM 0 HB2 GLU B 221 7.884 31.969 -12.220 1.00 0.00 H new ATOM 0 HB3 GLU B 221 7.776 31.810 -13.962 1.00 0.00 H new ATOM 0 HG2 GLU B 221 10.194 32.743 -12.387 1.00 0.00 H new ATOM 0 HG3 GLU B 221 9.996 31.185 -13.164 1.00 0.00 H new ATOM 2461 N PRO C 315 -4.650 23.467 -0.195 1.00 0.00 N ATOM 2462 CA PRO C 315 -3.380 24.152 -0.483 1.00 0.00 C ATOM 2463 C PRO C 315 -2.377 24.096 0.665 1.00 0.00 C ATOM 2464 O PRO C 315 -2.745 24.139 1.869 1.00 0.00 O ATOM 2465 CB PRO C 315 -3.780 25.604 -0.783 1.00 0.00 C ATOM 2466 CG PRO C 315 -5.220 25.711 -0.417 1.00 0.00 C ATOM 2467 CD PRO C 315 -5.792 24.331 -0.523 1.00 0.00 C ATOM 0 HA PRO C 315 -2.867 23.664 -1.312 1.00 0.00 H new ATOM 0 HB2 PRO C 315 -3.176 26.304 -0.205 1.00 0.00 H new ATOM 0 HB3 PRO C 315 -3.625 25.843 -1.835 1.00 0.00 H new ATOM 0 HG2 PRO C 315 -5.335 26.101 0.594 1.00 0.00 H new ATOM 0 HG3 PRO C 315 -5.740 26.398 -1.085 1.00 0.00 H new ATOM 0 HD2 PRO C 315 -6.620 24.184 0.171 1.00 0.00 H new ATOM 0 HD3 PRO C 315 -6.175 24.130 -1.524 1.00 0.00 H new ATOM 2475 N GLY C 316 -1.130 24.047 0.288 1.00 0.00 N ATOM 2476 CA GLY C 316 -0.059 23.849 1.199 1.00 0.00 C ATOM 2477 C GLY C 316 0.401 25.080 1.902 1.00 0.00 C ATOM 2478 O GLY C 316 0.131 26.215 1.477 1.00 0.00 O ATOM 0 H GLY C 316 -0.833 24.147 -0.683 1.00 0.00 H new ATOM 0 HA2 GLY C 316 -0.366 23.115 1.944 1.00 0.00 H new ATOM 0 HA3 GLY C 316 0.785 23.420 0.658 1.00 0.00 H new ATOM 2482 N SER C 317 1.135 24.834 2.947 1.00 0.00 N ATOM 2483 CA SER C 317 1.658 25.801 3.859 1.00 0.00 C ATOM 2484 C SER C 317 2.452 26.901 3.157 1.00 0.00 C ATOM 2485 O SER C 317 2.123 28.080 3.263 1.00 0.00 O ATOM 2486 CB SER C 317 2.566 25.026 4.769 1.00 0.00 C ATOM 2487 OG SER C 317 2.065 23.698 4.882 1.00 0.00 O ATOM 0 H SER C 317 1.401 23.882 3.200 1.00 0.00 H new ATOM 0 HA SER C 317 0.848 26.306 4.384 1.00 0.00 H new ATOM 0 HB2 SER C 317 3.581 25.016 4.372 1.00 0.00 H new ATOM 0 HB3 SER C 317 2.612 25.498 5.750 1.00 0.00 H new ATOM 0 HG SER C 317 1.319 23.683 5.517 1.00 0.00 H new ATOM 2493 N ARG C 318 3.435 26.507 2.376 1.00 0.00 N ATOM 2494 CA ARG C 318 4.356 27.459 1.794 1.00 0.00 C ATOM 2495 C ARG C 318 3.858 28.054 0.488 1.00 0.00 C ATOM 2496 O ARG C 318 4.621 28.695 -0.244 1.00 0.00 O ATOM 2497 CB ARG C 318 5.755 26.856 1.667 1.00 0.00 C ATOM 2498 CG ARG C 318 6.319 26.453 3.018 1.00 0.00 C ATOM 2499 CD ARG C 318 7.748 25.973 2.943 1.00 0.00 C ATOM 2500 NE ARG C 318 8.243 25.582 4.271 1.00 0.00 N ATOM 2501 CZ ARG C 318 9.390 26.000 4.821 1.00 0.00 C ATOM 2502 NH1 ARG C 318 10.195 26.813 4.152 1.00 0.00 N1+ ATOM 2503 NH2 ARG C 318 9.724 25.612 6.051 1.00 0.00 N ATOM 0 H ARG C 318 3.617 25.534 2.130 1.00 0.00 H new ATOM 0 HA ARG C 318 4.419 28.301 2.483 1.00 0.00 H new ATOM 0 HB2 ARG C 318 5.717 25.984 1.014 1.00 0.00 H new ATOM 0 HB3 ARG C 318 6.421 27.579 1.196 1.00 0.00 H new ATOM 0 HG2 ARG C 318 6.263 27.304 3.697 1.00 0.00 H new ATOM 0 HG3 ARG C 318 5.699 25.664 3.443 1.00 0.00 H new ATOM 0 HD2 ARG C 318 7.815 25.125 2.262 1.00 0.00 H new ATOM 0 HD3 ARG C 318 8.379 26.762 2.533 1.00 0.00 H new ATOM 0 HE ARG C 318 7.667 24.941 4.817 1.00 0.00 H new ATOM 0 HH11 ARG C 318 9.942 27.123 3.214 1.00 0.00 H new ATOM 0 HH12 ARG C 318 11.068 27.129 4.575 1.00 0.00 H new ATOM 0 HH21 ARG C 318 9.105 24.995 6.577 1.00 0.00 H new ATOM 0 HH22 ARG C 318 10.599 25.932 6.467 1.00 0.00 H new ATOM 2517 N TRP C 319 2.575 27.887 0.211 1.00 0.00 N ATOM 2518 CA TRP C 319 1.985 28.493 -0.948 1.00 0.00 C ATOM 2519 C TRP C 319 1.749 29.961 -0.643 1.00 0.00 C ATOM 2520 O TRP C 319 0.829 30.310 0.104 1.00 0.00 O ATOM 2521 CB TRP C 319 0.679 27.794 -1.345 1.00 0.00 C ATOM 2522 CG TRP C 319 0.077 28.323 -2.609 1.00 0.00 C ATOM 2523 CD1 TRP C 319 0.694 28.430 -3.813 1.00 0.00 C ATOM 2524 CD2 TRP C 319 -1.262 28.787 -2.805 1.00 0.00 C ATOM 2525 NE1 TRP C 319 -0.164 28.948 -4.733 1.00 0.00 N ATOM 2526 CE2 TRP C 319 -1.371 29.169 -4.153 1.00 0.00 C ATOM 2527 CE3 TRP C 319 -2.376 28.918 -1.982 1.00 0.00 C ATOM 2528 CZ2 TRP C 319 -2.546 29.675 -4.696 1.00 0.00 C ATOM 2529 CZ3 TRP C 319 -3.544 29.418 -2.524 1.00 0.00 C ATOM 2530 CH2 TRP C 319 -3.620 29.789 -3.868 1.00 0.00 C ATOM 0 H TRP C 319 1.931 27.336 0.779 1.00 0.00 H new ATOM 0 HA TRP C 319 2.660 28.392 -1.798 1.00 0.00 H new ATOM 0 HB2 TRP C 319 0.869 26.727 -1.461 1.00 0.00 H new ATOM 0 HB3 TRP C 319 -0.042 27.903 -0.535 1.00 0.00 H new ATOM 0 HD1 TRP C 319 1.717 28.146 -4.012 1.00 0.00 H new ATOM 0 HE1 TRP C 319 0.065 29.141 -5.708 1.00 0.00 H new ATOM 0 HE3 TRP C 319 -2.329 28.635 -0.941 1.00 0.00 H new ATOM 0 HZ2 TRP C 319 -2.604 29.966 -5.734 1.00 0.00 H new ATOM 0 HZ3 TRP C 319 -4.416 29.524 -1.896 1.00 0.00 H new ATOM 0 HH2 TRP C 319 -4.550 30.174 -4.258 1.00 0.00 H new ATOM 2541 N ASP C 320 2.649 30.783 -1.143 1.00 0.00 N ATOM 2542 CA ASP C 320 2.616 32.229 -0.941 1.00 0.00 C ATOM 2543 C ASP C 320 1.317 32.828 -1.465 1.00 0.00 C ATOM 2544 O ASP C 320 0.451 33.253 -0.700 1.00 0.00 O ATOM 2545 CB ASP C 320 3.825 32.878 -1.628 1.00 0.00 C ATOM 2546 CG ASP C 320 3.856 34.384 -1.487 1.00 0.00 C ATOM 2547 OD1 ASP C 320 4.244 34.882 -0.415 1.00 0.00 O ATOM 2548 OD2 ASP C 320 3.527 35.091 -2.458 1.00 0.00 O1- ATOM 0 H ASP C 320 3.437 30.468 -1.709 1.00 0.00 H new ATOM 0 HA ASP C 320 2.665 32.429 0.129 1.00 0.00 H new ATOM 0 HB2 ASP C 320 4.740 32.462 -1.207 1.00 0.00 H new ATOM 0 HB3 ASP C 320 3.815 32.619 -2.687 1.00 0.00 H new ATOM 2553 N GLY C 321 1.187 32.848 -2.752 1.00 0.00 N ATOM 2554 CA GLY C 321 -0.013 33.333 -3.366 1.00 0.00 C ATOM 2555 C GLY C 321 0.168 33.433 -4.835 1.00 0.00 C ATOM 2556 O GLY C 321 -0.377 34.316 -5.494 1.00 0.00 O ATOM 0 H GLY C 321 1.903 32.532 -3.406 1.00 0.00 H new ATOM 0 HA2 GLY C 321 -0.843 32.663 -3.139 1.00 0.00 H new ATOM 0 HA3 GLY C 321 -0.271 34.310 -2.957 1.00 0.00 H new