USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 822 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 LYS NZ :NH3+ 135:sc= -0.837 (180deg=-3.32!) USER MOD Single : A 21 LYS NZ :NH3+ 155:sc= -0.0709 (180deg=-0.419) USER MOD Single : A 23 ASN : amide:sc= -1.59 K(o=-1.6,f=-2.6) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 168:sc= -1.86! USER MOD Single : A 32 SER OG : rot 113:sc= 1.19 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.00061) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 174:sc= -1.28 (180deg=-1.36) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.257 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -140:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0903 USER MOD Single : A 62 TYR OH : rot -61:sc= -1.7! USER MOD Single : A 79 TYR OH : rot 130:sc= -0.0744 USER MOD Single : A 84 MET CE :methyl 148:sc= -2.23 (180deg=-6.6!) USER MOD Single : A 97 ASN : amide:sc= -5.83! C(o=-5.8!,f=-3.3!) USER MOD Single : A 100 TYR OH : rot 180:sc= -0.183 USER MOD Single : A 101 ASN : amide:sc= -7.47 K(o=-7.5,f=-14!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 81:sc= 0.461 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 GLN : amide:sc= 0.0203 K(o=0.02,f=-0.82) USER MOD Single : A 119 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 90 N LEU A 13 -0.727 -5.452 -11.751 1.00 0.00 N ATOM 91 CA LEU A 13 -1.750 -6.102 -10.940 1.00 0.00 C ATOM 92 C LEU A 13 -3.018 -5.257 -10.888 1.00 0.00 C ATOM 93 O LEU A 13 -2.957 -4.028 -10.859 1.00 0.00 O ATOM 94 CB LEU A 13 -1.229 -6.347 -9.523 1.00 0.00 C ATOM 95 CG LEU A 13 -2.187 -7.111 -8.605 1.00 0.00 C ATOM 96 CD1 LEU A 13 -1.723 -8.548 -8.423 1.00 0.00 C ATOM 97 CD2 LEU A 13 -2.308 -6.411 -7.257 1.00 0.00 C ATOM 0 HA LEU A 13 -1.990 -7.060 -11.401 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.292 -6.900 -9.587 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.000 -5.385 -9.065 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.171 -7.127 -9.073 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.417 -9.074 -7.767 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.691 -9.046 -9.392 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.728 -8.555 -7.979 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.993 -6.968 -6.618 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.328 -6.362 -6.783 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.690 -5.401 -7.405 1.00 0.00 H new ATOM 109 N ARG A 14 -4.169 -5.923 -10.876 1.00 0.00 N ATOM 110 CA ARG A 14 -5.450 -5.229 -10.827 1.00 0.00 C ATOM 111 C ARG A 14 -5.638 -4.527 -9.488 1.00 0.00 C ATOM 112 O ARG A 14 -5.975 -5.156 -8.486 1.00 0.00 O ATOM 113 CB ARG A 14 -6.599 -6.210 -11.062 1.00 0.00 C ATOM 114 CG ARG A 14 -6.367 -7.155 -12.230 1.00 0.00 C ATOM 115 CD ARG A 14 -7.603 -7.990 -12.524 1.00 0.00 C ATOM 116 NE ARG A 14 -7.806 -9.038 -11.528 1.00 0.00 N ATOM 117 CZ ARG A 14 -8.964 -9.670 -11.341 1.00 0.00 C ATOM 118 NH1 ARG A 14 -10.022 -9.363 -12.080 1.00 0.00 N ATOM 119 NH2 ARG A 14 -9.062 -10.611 -10.412 1.00 0.00 N ATOM 0 H ARG A 14 -4.240 -6.940 -10.900 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.454 -4.478 -11.617 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.755 -6.797 -10.157 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.515 -5.647 -11.238 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.095 -6.581 -13.116 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.527 -7.813 -12.006 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.479 -7.342 -12.552 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.509 -8.442 -13.511 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.015 -9.302 -10.941 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.952 -8.640 -12.796 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.906 -9.850 -11.932 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.251 -10.851 -9.841 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.948 -11.095 -10.268 1.00 0.00 H new ATOM 133 N ILE A 15 -5.415 -3.220 -9.478 1.00 0.00 N ATOM 134 CA ILE A 15 -5.559 -2.429 -8.264 1.00 0.00 C ATOM 135 C ILE A 15 -6.323 -1.138 -8.538 1.00 0.00 C ATOM 136 O ILE A 15 -5.832 -0.251 -9.236 1.00 0.00 O ATOM 137 CB ILE A 15 -4.184 -2.084 -7.660 1.00 0.00 C ATOM 138 CG1 ILE A 15 -3.337 -3.348 -7.510 1.00 0.00 C ATOM 139 CG2 ILE A 15 -4.352 -1.391 -6.315 1.00 0.00 C ATOM 140 CD1 ILE A 15 -1.959 -3.090 -6.943 1.00 0.00 C ATOM 0 H ILE A 15 -5.133 -2.684 -10.299 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.121 -3.033 -7.552 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.669 -1.401 -8.336 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.861 -4.052 -6.863 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.236 -3.825 -8.485 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.371 -1.154 -5.903 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.921 -0.471 -6.448 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.884 -2.051 -5.630 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.416 -4.032 -6.865 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.416 -2.411 -7.601 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.051 -2.641 -5.954 1.00 0.00 H new ATOM 152 N LYS A 16 -7.525 -1.041 -7.982 1.00 0.00 N ATOM 153 CA LYS A 16 -8.358 0.141 -8.162 1.00 0.00 C ATOM 154 C LYS A 16 -8.945 0.593 -6.830 1.00 0.00 C ATOM 155 O LYS A 16 -9.673 -0.154 -6.176 1.00 0.00 O ATOM 156 CB LYS A 16 -9.484 -0.139 -9.161 1.00 0.00 C ATOM 157 CG LYS A 16 -10.065 -1.540 -9.054 1.00 0.00 C ATOM 158 CD LYS A 16 -9.174 -2.568 -9.735 1.00 0.00 C ATOM 159 CE LYS A 16 -9.984 -3.735 -10.275 1.00 0.00 C ATOM 160 NZ LYS A 16 -9.456 -4.221 -11.581 1.00 0.00 N ATOM 0 H LYS A 16 -7.945 -1.768 -7.402 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.730 0.939 -8.557 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.282 0.588 -9.008 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.106 0.011 -10.172 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.189 -1.804 -8.004 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.056 -1.559 -9.507 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.628 -2.094 -10.551 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.432 -2.935 -9.026 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.972 -4.551 -9.552 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.024 -3.431 -10.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.414 -5.260 -11.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.083 -3.906 -12.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.502 -3.837 -11.734 1.00 0.00 H new ATOM 174 N VAL A 17 -8.621 1.819 -6.431 1.00 0.00 N ATOM 175 CA VAL A 17 -9.114 2.365 -5.172 1.00 0.00 C ATOM 176 C VAL A 17 -10.219 3.388 -5.411 1.00 0.00 C ATOM 177 O VAL A 17 -9.996 4.425 -6.035 1.00 0.00 O ATOM 178 CB VAL A 17 -7.985 3.028 -4.353 1.00 0.00 C ATOM 179 CG1 VAL A 17 -8.256 2.883 -2.865 1.00 0.00 C ATOM 180 CG2 VAL A 17 -6.628 2.435 -4.711 1.00 0.00 C ATOM 0 H VAL A 17 -8.021 2.452 -6.960 1.00 0.00 H new ATOM 0 HA VAL A 17 -9.513 1.524 -4.605 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.963 4.089 -4.601 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.452 3.355 -2.301 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.203 3.364 -2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.308 1.825 -2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.851 2.920 -4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.631 1.366 -4.499 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.430 2.594 -5.771 1.00 0.00 H new ATOM 190 N ASP A 18 -11.413 3.088 -4.908 1.00 0.00 N ATOM 191 CA ASP A 18 -12.555 3.980 -5.065 1.00 0.00 C ATOM 192 C ASP A 18 -13.379 4.041 -3.782 1.00 0.00 C ATOM 193 O ASP A 18 -14.582 4.298 -3.818 1.00 0.00 O ATOM 194 CB ASP A 18 -13.432 3.519 -6.230 1.00 0.00 C ATOM 195 CG ASP A 18 -13.195 4.331 -7.489 1.00 0.00 C ATOM 196 OD1 ASP A 18 -13.252 5.576 -7.412 1.00 0.00 O ATOM 197 OD2 ASP A 18 -12.951 3.721 -8.551 1.00 0.00 O ATOM 0 H ASP A 18 -11.614 2.234 -4.388 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.177 4.980 -5.279 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.234 2.467 -6.437 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -14.481 3.595 -5.944 1.00 0.00 H new ATOM 202 N ASP A 19 -12.724 3.806 -2.649 1.00 0.00 N ATOM 203 CA ASP A 19 -13.399 3.837 -1.357 1.00 0.00 C ATOM 204 C ASP A 19 -12.524 4.510 -0.304 1.00 0.00 C ATOM 205 O ASP A 19 -11.316 4.282 -0.250 1.00 0.00 O ATOM 206 CB ASP A 19 -13.756 2.417 -0.909 1.00 0.00 C ATOM 207 CG ASP A 19 -15.016 1.902 -1.575 1.00 0.00 C ATOM 208 OD1 ASP A 19 -15.059 1.872 -2.823 1.00 0.00 O ATOM 209 OD2 ASP A 19 -15.960 1.527 -0.850 1.00 0.00 O ATOM 0 H ASP A 19 -11.728 3.592 -2.600 1.00 0.00 H new ATOM 0 HA ASP A 19 -14.316 4.416 -1.467 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -12.927 1.747 -1.138 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -13.888 2.402 0.173 1.00 0.00 H new ATOM 214 N VAL A 20 -13.141 5.342 0.527 1.00 0.00 N ATOM 215 CA VAL A 20 -12.417 6.050 1.575 1.00 0.00 C ATOM 216 C VAL A 20 -13.319 6.335 2.771 1.00 0.00 C ATOM 217 O VAL A 20 -14.200 7.192 2.705 1.00 0.00 O ATOM 218 CB VAL A 20 -11.837 7.379 1.059 1.00 0.00 C ATOM 219 CG1 VAL A 20 -10.925 8.006 2.102 1.00 0.00 C ATOM 220 CG2 VAL A 20 -11.094 7.166 -0.251 1.00 0.00 C ATOM 0 H VAL A 20 -14.141 5.543 0.495 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.599 5.401 1.886 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.663 8.066 0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.525 8.945 1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.492 8.199 3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.103 7.325 2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.691 8.117 -0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.277 6.461 -0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.780 6.767 -0.998 1.00 0.00 H new ATOM 230 N LYS A 21 -13.092 5.614 3.864 1.00 0.00 N ATOM 231 CA LYS A 21 -13.884 5.794 5.074 1.00 0.00 C ATOM 232 C LYS A 21 -13.135 6.654 6.086 1.00 0.00 C ATOM 233 O LYS A 21 -12.183 6.199 6.718 1.00 0.00 O ATOM 234 CB LYS A 21 -14.230 4.440 5.693 1.00 0.00 C ATOM 235 CG LYS A 21 -15.202 4.536 6.858 1.00 0.00 C ATOM 236 CD LYS A 21 -15.631 3.160 7.341 1.00 0.00 C ATOM 237 CE LYS A 21 -17.105 3.135 7.713 1.00 0.00 C ATOM 238 NZ LYS A 21 -17.981 3.347 6.528 1.00 0.00 N ATOM 0 H LYS A 21 -12.367 4.900 3.936 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.808 6.303 4.801 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.659 3.797 4.924 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.313 3.960 6.034 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.735 5.081 7.678 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.080 5.106 6.555 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.439 2.423 6.561 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.032 2.873 8.205 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -17.346 2.178 8.176 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -17.305 3.908 8.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.913 2.921 6.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -18.093 4.367 6.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.549 2.902 5.693 1.00 0.00 H new ATOM 252 N ILE A 22 -13.572 7.901 6.234 1.00 0.00 N ATOM 253 CA ILE A 22 -12.942 8.824 7.166 1.00 0.00 C ATOM 254 C ILE A 22 -13.290 8.470 8.607 1.00 0.00 C ATOM 255 O ILE A 22 -14.348 8.846 9.111 1.00 0.00 O ATOM 256 CB ILE A 22 -13.366 10.278 6.891 1.00 0.00 C ATOM 257 CG1 ILE A 22 -13.262 10.595 5.398 1.00 0.00 C ATOM 258 CG2 ILE A 22 -12.511 11.238 7.702 1.00 0.00 C ATOM 259 CD1 ILE A 22 -11.865 10.430 4.841 1.00 0.00 C ATOM 0 H ILE A 22 -14.360 8.294 5.719 1.00 0.00 H new ATOM 0 HA ILE A 22 -11.865 8.734 7.021 1.00 0.00 H new ATOM 0 HB ILE A 22 -14.406 10.399 7.194 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -13.943 9.945 4.849 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.593 11.619 5.228 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -12.821 12.263 7.498 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.634 11.026 8.764 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -11.464 11.114 7.426 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.866 10.671 3.778 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.183 11.100 5.364 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.538 9.399 4.979 1.00 0.00 H new ATOM 271 N ASN A 23 -12.391 7.749 9.267 1.00 0.00 N ATOM 272 CA ASN A 23 -12.601 7.349 10.653 1.00 0.00 C ATOM 273 C ASN A 23 -12.129 8.445 11.606 1.00 0.00 C ATOM 274 O ASN A 23 -11.096 9.073 11.375 1.00 0.00 O ATOM 275 CB ASN A 23 -11.857 6.043 10.946 1.00 0.00 C ATOM 276 CG ASN A 23 -12.549 5.205 12.003 1.00 0.00 C ATOM 277 OD1 ASN A 23 -12.309 5.372 13.199 1.00 0.00 O ATOM 278 ND2 ASN A 23 -13.414 4.297 11.566 1.00 0.00 N ATOM 0 H ASN A 23 -11.510 7.430 8.865 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.668 7.191 10.807 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.771 5.464 10.027 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.843 6.272 11.275 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -13.910 3.704 12.231 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.582 4.193 10.565 1.00 0.00 H new ATOM 285 N PRO A 24 -12.879 8.695 12.695 1.00 0.00 N ATOM 286 CA PRO A 24 -12.528 9.721 13.681 1.00 0.00 C ATOM 287 C PRO A 24 -11.081 9.607 14.152 1.00 0.00 C ATOM 288 O PRO A 24 -10.492 10.582 14.617 1.00 0.00 O ATOM 289 CB PRO A 24 -13.497 9.464 14.847 1.00 0.00 C ATOM 290 CG PRO A 24 -14.153 8.155 14.550 1.00 0.00 C ATOM 291 CD PRO A 24 -14.122 8.004 13.057 1.00 0.00 C ATOM 0 HA PRO A 24 -12.612 10.724 13.261 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.964 9.428 15.797 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -14.235 10.262 14.925 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -13.624 7.335 15.036 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -15.177 8.139 14.922 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -14.107 6.957 12.755 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -14.992 8.460 12.585 1.00 0.00 H new ATOM 299 N LYS A 25 -10.512 8.411 14.030 1.00 0.00 N ATOM 300 CA LYS A 25 -9.140 8.174 14.444 1.00 0.00 C ATOM 301 C LYS A 25 -8.183 8.390 13.268 1.00 0.00 C ATOM 302 O LYS A 25 -7.140 9.027 13.415 1.00 0.00 O ATOM 303 CB LYS A 25 -9.024 6.753 15.018 1.00 0.00 C ATOM 304 CG LYS A 25 -7.693 6.065 14.767 1.00 0.00 C ATOM 305 CD LYS A 25 -6.671 6.413 15.838 1.00 0.00 C ATOM 306 CE LYS A 25 -5.746 5.242 16.128 1.00 0.00 C ATOM 307 NZ LYS A 25 -5.708 4.910 17.580 1.00 0.00 N ATOM 0 H LYS A 25 -10.984 7.592 13.647 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.860 8.884 15.222 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.196 6.797 16.093 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.819 6.140 14.593 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.840 4.985 14.741 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.310 6.358 13.789 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.082 7.272 15.515 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.186 6.706 16.753 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.077 4.370 15.565 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.740 5.480 15.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.066 4.107 17.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.368 5.734 18.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.664 4.657 17.904 1.00 0.00 H new ATOM 321 N TYR A 26 -8.550 7.861 12.103 1.00 0.00 N ATOM 322 CA TYR A 26 -7.726 8.003 10.905 1.00 0.00 C ATOM 323 C TYR A 26 -8.551 7.792 9.638 1.00 0.00 C ATOM 324 O TYR A 26 -9.643 7.226 9.681 1.00 0.00 O ATOM 325 CB TYR A 26 -6.547 7.024 10.929 1.00 0.00 C ATOM 326 CG TYR A 26 -6.867 5.670 11.531 1.00 0.00 C ATOM 327 CD1 TYR A 26 -8.101 5.064 11.327 1.00 0.00 C ATOM 328 CD2 TYR A 26 -5.928 4.999 12.305 1.00 0.00 C ATOM 329 CE1 TYR A 26 -8.390 3.830 11.877 1.00 0.00 C ATOM 330 CE2 TYR A 26 -6.210 3.764 12.857 1.00 0.00 C ATOM 331 CZ TYR A 26 -7.441 3.185 12.641 1.00 0.00 C ATOM 332 OH TYR A 26 -7.725 1.955 13.190 1.00 0.00 O ATOM 0 H TYR A 26 -9.410 7.331 11.963 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.336 9.021 10.898 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.191 6.879 9.909 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -5.729 7.474 11.492 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.847 5.566 10.728 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.962 5.450 12.478 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.354 3.373 11.709 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.469 3.255 13.455 1.00 0.00 H new ATOM 0 HH TYR A 26 -6.950 1.637 13.698 1.00 0.00 H new ATOM 342 N VAL A 27 -8.021 8.252 8.510 1.00 0.00 N ATOM 343 CA VAL A 27 -8.705 8.111 7.230 1.00 0.00 C ATOM 344 C VAL A 27 -8.328 6.794 6.558 1.00 0.00 C ATOM 345 O VAL A 27 -7.171 6.579 6.197 1.00 0.00 O ATOM 346 CB VAL A 27 -8.370 9.280 6.281 1.00 0.00 C ATOM 347 CG1 VAL A 27 -9.154 9.161 4.982 1.00 0.00 C ATOM 348 CG2 VAL A 27 -8.651 10.612 6.959 1.00 0.00 C ATOM 0 H VAL A 27 -7.119 8.726 8.456 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.776 8.121 7.434 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.308 9.234 6.041 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.903 9.996 4.327 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.900 8.223 4.488 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.222 9.179 5.199 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.409 11.426 6.276 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.705 10.667 7.230 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.040 10.699 7.858 1.00 0.00 H new ATOM 358 N LEU A 28 -9.311 5.914 6.398 1.00 0.00 N ATOM 359 CA LEU A 28 -9.082 4.616 5.775 1.00 0.00 C ATOM 360 C LEU A 28 -9.290 4.685 4.265 1.00 0.00 C ATOM 361 O LEU A 28 -9.953 5.589 3.759 1.00 0.00 O ATOM 362 CB LEU A 28 -10.014 3.565 6.382 1.00 0.00 C ATOM 363 CG LEU A 28 -9.893 3.389 7.896 1.00 0.00 C ATOM 364 CD1 LEU A 28 -10.800 2.267 8.378 1.00 0.00 C ATOM 365 CD2 LEU A 28 -8.449 3.114 8.285 1.00 0.00 C ATOM 0 H LEU A 28 -10.274 6.077 6.691 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.047 4.331 5.965 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.043 3.834 6.144 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.816 2.606 5.903 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.209 4.315 8.377 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.700 2.157 9.458 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.835 2.505 8.132 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.516 1.335 7.890 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.380 2.991 9.366 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.107 2.203 7.794 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.823 3.950 7.974 1.00 0.00 H new ATOM 377 N TYR A 29 -8.718 3.718 3.554 1.00 0.00 N ATOM 378 CA TYR A 29 -8.837 3.662 2.102 1.00 0.00 C ATOM 379 C TYR A 29 -9.197 2.253 1.641 1.00 0.00 C ATOM 380 O TYR A 29 -8.521 1.286 1.989 1.00 0.00 O ATOM 381 CB TYR A 29 -7.527 4.105 1.446 1.00 0.00 C ATOM 382 CG TYR A 29 -7.369 5.606 1.359 1.00 0.00 C ATOM 383 CD1 TYR A 29 -6.900 6.337 2.443 1.00 0.00 C ATOM 384 CD2 TYR A 29 -7.688 6.292 0.194 1.00 0.00 C ATOM 385 CE1 TYR A 29 -6.753 7.709 2.368 1.00 0.00 C ATOM 386 CE2 TYR A 29 -7.543 7.663 0.111 1.00 0.00 C ATOM 387 CZ TYR A 29 -7.076 8.368 1.201 1.00 0.00 C ATOM 388 OH TYR A 29 -6.931 9.734 1.122 1.00 0.00 O ATOM 0 H TYR A 29 -8.167 2.962 3.961 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.635 4.340 1.800 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.691 3.692 2.010 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.473 3.684 0.442 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.646 5.825 3.359 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.056 5.744 -0.661 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.387 8.263 3.220 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.794 8.181 -0.803 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.008 10.018 0.187 1.00 0.00 H new ATOM 398 N GLY A 30 -10.266 2.145 0.860 1.00 0.00 N ATOM 399 CA GLY A 30 -10.695 0.848 0.369 1.00 0.00 C ATOM 400 C GLY A 30 -10.002 0.458 -0.922 1.00 0.00 C ATOM 401 O GLY A 30 -10.470 0.794 -2.010 1.00 0.00 O ATOM 0 H GLY A 30 -10.842 2.931 0.558 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.495 0.091 1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.773 0.862 0.209 1.00 0.00 H new ATOM 405 N VAL A 31 -8.884 -0.252 -0.801 1.00 0.00 N ATOM 406 CA VAL A 31 -8.123 -0.686 -1.967 1.00 0.00 C ATOM 407 C VAL A 31 -8.638 -2.019 -2.497 1.00 0.00 C ATOM 408 O VAL A 31 -8.592 -3.035 -1.803 1.00 0.00 O ATOM 409 CB VAL A 31 -6.624 -0.825 -1.640 1.00 0.00 C ATOM 410 CG1 VAL A 31 -5.822 -1.071 -2.909 1.00 0.00 C ATOM 411 CG2 VAL A 31 -6.118 0.412 -0.910 1.00 0.00 C ATOM 0 H VAL A 31 -8.485 -0.539 0.093 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.253 0.081 -2.730 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.492 -1.684 -0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.765 -1.167 -2.659 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.167 -1.989 -3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.958 -0.234 -3.594 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.057 0.295 -0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.262 1.290 -1.539 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.672 0.538 0.020 1.00 0.00 H new ATOM 421 N SER A 32 -9.130 -2.006 -3.731 1.00 0.00 N ATOM 422 CA SER A 32 -9.655 -3.214 -4.357 1.00 0.00 C ATOM 423 C SER A 32 -8.551 -3.987 -5.073 1.00 0.00 C ATOM 424 O SER A 32 -7.704 -3.399 -5.746 1.00 0.00 O ATOM 425 CB SER A 32 -10.768 -2.860 -5.346 1.00 0.00 C ATOM 426 OG SER A 32 -11.346 -1.604 -5.036 1.00 0.00 O ATOM 0 H SER A 32 -9.176 -1.173 -4.317 1.00 0.00 H new ATOM 0 HA SER A 32 -10.063 -3.848 -3.570 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.365 -2.838 -6.359 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.537 -3.633 -5.325 1.00 0.00 H new ATOM 0 HG SER A 32 -11.137 -0.963 -5.747 1.00 0.00 H new ATOM 432 N THR A 33 -8.564 -5.308 -4.920 1.00 0.00 N ATOM 433 CA THR A 33 -7.562 -6.162 -5.548 1.00 0.00 C ATOM 434 C THR A 33 -8.090 -7.586 -5.716 1.00 0.00 C ATOM 435 O THR A 33 -9.118 -7.943 -5.141 1.00 0.00 O ATOM 436 CB THR A 33 -6.285 -6.171 -4.707 1.00 0.00 C ATOM 437 OG1 THR A 33 -6.583 -6.433 -3.347 1.00 0.00 O ATOM 438 CG2 THR A 33 -5.527 -4.863 -4.765 1.00 0.00 C ATOM 0 H THR A 33 -9.258 -5.810 -4.366 1.00 0.00 H new ATOM 0 HA THR A 33 -7.338 -5.762 -6.537 1.00 0.00 H new ATOM 0 HB THR A 33 -5.661 -6.957 -5.133 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.754 -6.436 -2.825 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.631 -4.934 -4.148 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.242 -4.653 -5.796 1.00 0.00 H new ATOM 0 HG23 THR A 33 -6.161 -4.058 -4.393 1.00 0.00 H new ATOM 446 N PRO A 34 -7.398 -8.426 -6.511 1.00 0.00 N ATOM 447 CA PRO A 34 -7.816 -9.813 -6.743 1.00 0.00 C ATOM 448 C PRO A 34 -8.139 -10.540 -5.444 1.00 0.00 C ATOM 449 O PRO A 34 -8.974 -11.446 -5.418 1.00 0.00 O ATOM 450 CB PRO A 34 -6.598 -10.437 -7.424 1.00 0.00 C ATOM 451 CG PRO A 34 -5.937 -9.298 -8.119 1.00 0.00 C ATOM 452 CD PRO A 34 -6.160 -8.093 -7.245 1.00 0.00 C ATOM 0 HA PRO A 34 -8.728 -9.876 -7.336 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.931 -10.900 -6.697 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -6.892 -11.215 -8.128 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.873 -9.489 -8.256 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.364 -9.145 -9.110 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.323 -7.928 -6.567 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.275 -7.184 -7.836 1.00 0.00 H new ATOM 460 N ASN A 35 -7.481 -10.132 -4.366 1.00 0.00 N ATOM 461 CA ASN A 35 -7.704 -10.735 -3.058 1.00 0.00 C ATOM 462 C ASN A 35 -9.028 -10.257 -2.471 1.00 0.00 C ATOM 463 O ASN A 35 -9.677 -10.988 -1.725 1.00 0.00 O ATOM 464 CB ASN A 35 -6.556 -10.390 -2.109 1.00 0.00 C ATOM 465 CG ASN A 35 -5.276 -11.124 -2.456 1.00 0.00 C ATOM 466 OD1 ASN A 35 -4.954 -12.152 -1.860 1.00 0.00 O ATOM 467 ND2 ASN A 35 -4.536 -10.597 -3.425 1.00 0.00 N ATOM 0 H ASN A 35 -6.787 -9.384 -4.372 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.745 -11.817 -3.181 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.375 -9.316 -2.139 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.847 -10.636 -1.088 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.663 -11.046 -3.702 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.841 -9.743 -3.893 1.00 0.00 H new ATOM 474 N LYS A 36 -9.406 -9.021 -2.831 1.00 0.00 N ATOM 475 CA LYS A 36 -10.648 -8.372 -2.383 1.00 0.00 C ATOM 476 C LYS A 36 -10.366 -6.945 -1.927 1.00 0.00 C ATOM 477 O LYS A 36 -9.226 -6.482 -1.975 1.00 0.00 O ATOM 478 CB LYS A 36 -11.342 -9.141 -1.256 1.00 0.00 C ATOM 479 CG LYS A 36 -12.184 -10.301 -1.757 1.00 0.00 C ATOM 480 CD LYS A 36 -13.582 -9.847 -2.146 1.00 0.00 C ATOM 481 CE LYS A 36 -14.437 -9.566 -0.920 1.00 0.00 C ATOM 482 NZ LYS A 36 -15.652 -8.775 -1.262 1.00 0.00 N ATOM 0 H LYS A 36 -8.848 -8.435 -3.452 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.323 -8.363 -3.239 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.589 -9.519 -0.564 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.976 -8.456 -0.694 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.697 -10.761 -2.617 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.251 -11.065 -0.982 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -13.517 -8.948 -2.759 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -14.059 -10.615 -2.755 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.734 -10.509 -0.461 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.846 -9.024 -0.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -16.209 -8.604 -0.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.368 -7.865 -1.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -16.229 -9.303 -1.948 1.00 0.00 H new ATOM 496 N ARG A 37 -11.409 -6.252 -1.484 1.00 0.00 N ATOM 497 CA ARG A 37 -11.270 -4.878 -1.018 1.00 0.00 C ATOM 498 C ARG A 37 -10.766 -4.845 0.421 1.00 0.00 C ATOM 499 O ARG A 37 -11.365 -5.443 1.314 1.00 0.00 O ATOM 500 CB ARG A 37 -12.607 -4.142 -1.127 1.00 0.00 C ATOM 501 CG ARG A 37 -12.525 -2.846 -1.918 1.00 0.00 C ATOM 502 CD ARG A 37 -13.850 -2.100 -1.905 1.00 0.00 C ATOM 503 NE ARG A 37 -14.962 -2.954 -2.316 1.00 0.00 N ATOM 504 CZ ARG A 37 -16.240 -2.587 -2.258 1.00 0.00 C ATOM 505 NH1 ARG A 37 -16.572 -1.383 -1.808 1.00 0.00 N ATOM 506 NH2 ARG A 37 -17.189 -3.425 -2.651 1.00 0.00 N ATOM 0 H ARG A 37 -12.359 -6.619 -1.438 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.539 -4.374 -1.650 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.337 -4.800 -1.598 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.975 -3.924 -0.124 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.745 -2.211 -1.498 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.239 -3.064 -2.947 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -14.040 -1.715 -0.903 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.788 -1.239 -2.571 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.746 -3.887 -2.668 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -15.846 -0.734 -1.505 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -17.553 -1.107 -1.766 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.940 -4.351 -2.998 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -18.168 -3.144 -2.606 1.00 0.00 H new ATOM 520 N LEU A 38 -9.658 -4.144 0.638 1.00 0.00 N ATOM 521 CA LEU A 38 -9.069 -4.033 1.968 1.00 0.00 C ATOM 522 C LEU A 38 -8.993 -2.575 2.411 1.00 0.00 C ATOM 523 O LEU A 38 -8.704 -1.686 1.611 1.00 0.00 O ATOM 524 CB LEU A 38 -7.674 -4.664 1.981 1.00 0.00 C ATOM 525 CG LEU A 38 -7.522 -5.873 2.907 1.00 0.00 C ATOM 526 CD1 LEU A 38 -6.595 -6.911 2.291 1.00 0.00 C ATOM 527 CD2 LEU A 38 -7.007 -5.432 4.267 1.00 0.00 C ATOM 0 H LEU A 38 -9.149 -3.644 -0.091 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.708 -4.569 2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.419 -4.968 0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.950 -3.905 2.277 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.501 -6.332 3.040 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.501 -7.762 2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.006 -7.247 1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.612 -6.469 2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.903 -6.301 4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.037 -4.949 4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.711 -4.729 4.712 1.00 0.00 H new ATOM 539 N TYR A 39 -9.256 -2.337 3.692 1.00 0.00 N ATOM 540 CA TYR A 39 -9.220 -0.988 4.244 1.00 0.00 C ATOM 541 C TYR A 39 -8.000 -0.794 5.139 1.00 0.00 C ATOM 542 O TYR A 39 -7.895 -1.403 6.203 1.00 0.00 O ATOM 543 CB TYR A 39 -10.499 -0.703 5.035 1.00 0.00 C ATOM 544 CG TYR A 39 -11.710 -0.456 4.162 1.00 0.00 C ATOM 545 CD1 TYR A 39 -11.898 0.769 3.534 1.00 0.00 C ATOM 546 CD2 TYR A 39 -12.664 -1.447 3.968 1.00 0.00 C ATOM 547 CE1 TYR A 39 -13.004 0.999 2.737 1.00 0.00 C ATOM 548 CE2 TYR A 39 -13.772 -1.225 3.171 1.00 0.00 C ATOM 549 CZ TYR A 39 -13.937 -0.001 2.559 1.00 0.00 C ATOM 550 OH TYR A 39 -15.038 0.224 1.765 1.00 0.00 O ATOM 0 H TYR A 39 -9.497 -3.062 4.368 1.00 0.00 H new ATOM 0 HA TYR A 39 -9.151 -0.286 3.413 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -10.703 -1.546 5.695 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -10.336 0.167 5.671 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -11.169 1.554 3.671 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -12.538 -2.407 4.447 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -13.137 1.957 2.256 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -14.504 -2.006 3.029 1.00 0.00 H new ATOM 0 HH TYR A 39 -15.596 -0.581 1.743 1.00 0.00 H new ATOM 560 N LYS A 40 -7.081 0.060 4.699 1.00 0.00 N ATOM 561 CA LYS A 40 -5.867 0.338 5.459 1.00 0.00 C ATOM 562 C LYS A 40 -5.641 1.841 5.589 1.00 0.00 C ATOM 563 O LYS A 40 -6.373 2.641 5.005 1.00 0.00 O ATOM 564 CB LYS A 40 -4.658 -0.316 4.787 1.00 0.00 C ATOM 565 CG LYS A 40 -4.350 0.245 3.409 1.00 0.00 C ATOM 566 CD LYS A 40 -3.336 -0.614 2.670 1.00 0.00 C ATOM 567 CE LYS A 40 -4.007 -1.511 1.643 1.00 0.00 C ATOM 568 NZ LYS A 40 -3.161 -1.694 0.431 1.00 0.00 N ATOM 0 H LYS A 40 -7.154 0.572 3.820 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.988 -0.081 6.458 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.784 -0.188 5.426 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.836 -1.388 4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.269 0.306 2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.966 1.260 3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.608 0.027 2.174 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.787 -1.226 3.385 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.216 -2.483 2.090 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.966 -1.080 1.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.605 -2.391 -0.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.067 -0.786 -0.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.219 -2.034 0.713 1.00 0.00 H new ATOM 582 N ARG A 41 -4.625 2.219 6.357 1.00 0.00 N ATOM 583 CA ARG A 41 -4.304 3.628 6.561 1.00 0.00 C ATOM 584 C ARG A 41 -2.919 3.961 6.017 1.00 0.00 C ATOM 585 O ARG A 41 -2.072 3.081 5.861 1.00 0.00 O ATOM 586 CB ARG A 41 -4.384 3.983 8.048 1.00 0.00 C ATOM 587 CG ARG A 41 -3.520 3.102 8.937 1.00 0.00 C ATOM 588 CD ARG A 41 -4.241 2.727 10.221 1.00 0.00 C ATOM 589 NE ARG A 41 -3.393 1.948 11.120 1.00 0.00 N ATOM 590 CZ ARG A 41 -3.190 0.638 10.999 1.00 0.00 C ATOM 591 NH1 ARG A 41 -3.763 -0.042 10.013 1.00 0.00 N ATOM 592 NH2 ARG A 41 -2.410 0.005 11.865 1.00 0.00 N ATOM 0 H ARG A 41 -4.010 1.571 6.848 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.037 4.221 6.014 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.084 5.022 8.180 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.421 3.907 8.375 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.244 2.197 8.396 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.594 3.624 9.178 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.571 3.633 10.729 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.136 2.153 9.980 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.929 2.437 11.886 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.363 0.439 9.343 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.603 -1.046 9.926 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.966 0.522 12.624 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.254 -0.999 11.772 1.00 0.00 H new ATOM 606 N TYR A 42 -2.696 5.240 5.730 1.00 0.00 N ATOM 607 CA TYR A 42 -1.415 5.696 5.199 1.00 0.00 C ATOM 608 C TYR A 42 -0.267 5.310 6.127 1.00 0.00 C ATOM 609 O TYR A 42 0.809 4.925 5.670 1.00 0.00 O ATOM 610 CB TYR A 42 -1.435 7.213 5.003 1.00 0.00 C ATOM 611 CG TYR A 42 -0.623 7.681 3.817 1.00 0.00 C ATOM 612 CD1 TYR A 42 0.749 7.869 3.923 1.00 0.00 C ATOM 613 CD2 TYR A 42 -1.228 7.936 2.593 1.00 0.00 C ATOM 614 CE1 TYR A 42 1.496 8.300 2.841 1.00 0.00 C ATOM 615 CE2 TYR A 42 -0.489 8.365 1.507 1.00 0.00 C ATOM 616 CZ TYR A 42 0.872 8.545 1.637 1.00 0.00 C ATOM 617 OH TYR A 42 1.611 8.974 0.558 1.00 0.00 O ATOM 0 H TYR A 42 -3.386 5.980 5.856 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.257 5.210 4.236 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.467 7.541 4.878 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.055 7.692 5.905 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.241 7.676 4.865 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -2.294 7.797 2.488 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.562 8.444 2.939 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.975 8.558 0.562 1.00 0.00 H new ATOM 0 HH TYR A 42 1.020 9.099 -0.214 1.00 0.00 H new ATOM 627 N SER A 43 -0.504 5.414 7.431 1.00 0.00 N ATOM 628 CA SER A 43 0.512 5.075 8.422 1.00 0.00 C ATOM 629 C SER A 43 1.032 3.655 8.212 1.00 0.00 C ATOM 630 O SER A 43 2.172 3.343 8.560 1.00 0.00 O ATOM 631 CB SER A 43 -0.058 5.217 9.835 1.00 0.00 C ATOM 632 OG SER A 43 0.192 6.509 10.359 1.00 0.00 O ATOM 0 H SER A 43 -1.390 5.730 7.826 1.00 0.00 H new ATOM 0 HA SER A 43 1.345 5.767 8.300 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.132 5.030 9.818 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.386 4.465 10.487 1.00 0.00 H new ATOM 0 HG SER A 43 -0.184 6.574 11.262 1.00 0.00 H new ATOM 638 N GLU A 44 0.191 2.800 7.640 1.00 0.00 N ATOM 639 CA GLU A 44 0.568 1.415 7.384 1.00 0.00 C ATOM 640 C GLU A 44 1.453 1.311 6.147 1.00 0.00 C ATOM 641 O GLU A 44 2.442 0.577 6.141 1.00 0.00 O ATOM 642 CB GLU A 44 -0.682 0.550 7.207 1.00 0.00 C ATOM 643 CG GLU A 44 -0.434 -0.932 7.436 1.00 0.00 C ATOM 644 CD GLU A 44 -1.532 -1.588 8.250 1.00 0.00 C ATOM 645 OE1 GLU A 44 -2.718 -1.295 7.991 1.00 0.00 O ATOM 646 OE2 GLU A 44 -1.206 -2.394 9.147 1.00 0.00 O ATOM 0 H GLU A 44 -0.755 3.041 7.345 1.00 0.00 H new ATOM 0 HA GLU A 44 1.134 1.053 8.243 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.451 0.892 7.899 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.073 0.693 6.200 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.350 -1.436 6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.520 -1.062 7.948 1.00 0.00 H new ATOM 653 N PHE A 45 1.092 2.049 5.102 1.00 0.00 N ATOM 654 CA PHE A 45 1.857 2.037 3.860 1.00 0.00 C ATOM 655 C PHE A 45 3.304 2.452 4.107 1.00 0.00 C ATOM 656 O PHE A 45 4.235 1.711 3.789 1.00 0.00 O ATOM 657 CB PHE A 45 1.211 2.964 2.827 1.00 0.00 C ATOM 658 CG PHE A 45 0.619 2.235 1.656 1.00 0.00 C ATOM 659 CD1 PHE A 45 1.425 1.785 0.623 1.00 0.00 C ATOM 660 CD2 PHE A 45 -0.746 1.999 1.588 1.00 0.00 C ATOM 661 CE1 PHE A 45 0.882 1.112 -0.456 1.00 0.00 C ATOM 662 CE2 PHE A 45 -1.294 1.327 0.511 1.00 0.00 C ATOM 663 CZ PHE A 45 -0.479 0.884 -0.511 1.00 0.00 C ATOM 0 H PHE A 45 0.276 2.662 5.090 1.00 0.00 H new ATOM 0 HA PHE A 45 1.855 1.019 3.471 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.430 3.549 3.313 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.959 3.669 2.465 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.490 1.962 0.661 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.388 2.344 2.385 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.521 0.765 -1.254 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.358 1.149 0.470 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.905 0.359 -1.353 1.00 0.00 H new ATOM 673 N TRP A 46 3.487 3.639 4.676 1.00 0.00 N ATOM 674 CA TRP A 46 4.823 4.146 4.967 1.00 0.00 C ATOM 675 C TRP A 46 5.571 3.195 5.895 1.00 0.00 C ATOM 676 O TRP A 46 6.789 3.044 5.797 1.00 0.00 O ATOM 677 CB TRP A 46 4.739 5.540 5.595 1.00 0.00 C ATOM 678 CG TRP A 46 6.072 6.099 5.990 1.00 0.00 C ATOM 679 CD1 TRP A 46 6.651 6.043 7.226 1.00 0.00 C ATOM 680 CD2 TRP A 46 6.994 6.798 5.146 1.00 0.00 C ATOM 681 NE1 TRP A 46 7.875 6.664 7.201 1.00 0.00 N ATOM 682 CE2 TRP A 46 8.110 7.136 5.935 1.00 0.00 C ATOM 683 CE3 TRP A 46 6.986 7.169 3.799 1.00 0.00 C ATOM 684 CZ2 TRP A 46 9.204 7.827 5.422 1.00 0.00 C ATOM 685 CZ3 TRP A 46 8.073 7.856 3.291 1.00 0.00 C ATOM 686 CH2 TRP A 46 9.169 8.178 4.101 1.00 0.00 C ATOM 0 H TRP A 46 2.729 4.267 4.944 1.00 0.00 H new ATOM 0 HA TRP A 46 5.373 4.216 4.029 1.00 0.00 H new ATOM 0 HB2 TRP A 46 4.264 6.220 4.888 1.00 0.00 H new ATOM 0 HB3 TRP A 46 4.097 5.495 6.475 1.00 0.00 H new ATOM 0 HD1 TRP A 46 6.210 5.578 8.096 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.507 6.759 7.996 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.146 6.924 3.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 10.050 8.077 6.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 8.077 8.149 2.252 1.00 0.00 H new ATOM 0 HH2 TRP A 46 10.003 8.714 3.674 1.00 0.00 H new ATOM 697 N LYS A 47 4.833 2.552 6.794 1.00 0.00 N ATOM 698 CA LYS A 47 5.425 1.612 7.738 1.00 0.00 C ATOM 699 C LYS A 47 5.943 0.368 7.021 1.00 0.00 C ATOM 700 O LYS A 47 6.810 -0.339 7.535 1.00 0.00 O ATOM 701 CB LYS A 47 4.400 1.212 8.801 1.00 0.00 C ATOM 702 CG LYS A 47 4.337 2.171 9.978 1.00 0.00 C ATOM 703 CD LYS A 47 5.401 1.851 11.015 1.00 0.00 C ATOM 704 CE LYS A 47 4.947 0.748 11.957 1.00 0.00 C ATOM 705 NZ LYS A 47 4.136 1.282 13.087 1.00 0.00 N ATOM 0 H LYS A 47 3.824 2.665 6.888 1.00 0.00 H new ATOM 0 HA LYS A 47 6.268 2.106 8.221 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.415 1.152 8.339 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.641 0.214 9.169 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.469 3.193 9.623 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.351 2.118 10.439 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.320 1.547 10.513 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.633 2.748 11.589 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.360 0.016 11.403 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.819 0.225 12.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.846 0.499 13.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.704 1.962 13.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.291 1.759 12.713 1.00 0.00 H new ATOM 719 N LEU A 48 5.405 0.102 5.833 1.00 0.00 N ATOM 720 CA LEU A 48 5.813 -1.060 5.051 1.00 0.00 C ATOM 721 C LEU A 48 7.001 -0.728 4.152 1.00 0.00 C ATOM 722 O LEU A 48 7.897 -1.550 3.961 1.00 0.00 O ATOM 723 CB LEU A 48 4.643 -1.561 4.202 1.00 0.00 C ATOM 724 CG LEU A 48 4.941 -2.795 3.351 1.00 0.00 C ATOM 725 CD1 LEU A 48 5.133 -4.017 4.235 1.00 0.00 C ATOM 726 CD2 LEU A 48 3.823 -3.032 2.347 1.00 0.00 C ATOM 0 H LEU A 48 4.686 0.676 5.392 1.00 0.00 H new ATOM 0 HA LEU A 48 6.117 -1.844 5.745 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.806 -1.788 4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.320 -0.754 3.544 1.00 0.00 H new ATOM 0 HG LEU A 48 5.866 -2.620 2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.344 -4.887 3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.967 -3.846 4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.225 -4.195 4.811 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.052 -3.914 1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.884 -3.187 2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.731 -2.165 1.693 1.00 0.00 H new ATOM 738 N LYS A 49 6.996 0.480 3.597 1.00 0.00 N ATOM 739 CA LYS A 49 8.068 0.925 2.710 1.00 0.00 C ATOM 740 C LYS A 49 9.442 0.743 3.352 1.00 0.00 C ATOM 741 O LYS A 49 10.213 -0.129 2.955 1.00 0.00 O ATOM 742 CB LYS A 49 7.860 2.393 2.332 1.00 0.00 C ATOM 743 CG LYS A 49 8.052 2.671 0.850 1.00 0.00 C ATOM 744 CD LYS A 49 8.683 4.035 0.616 1.00 0.00 C ATOM 745 CE LYS A 49 10.127 4.071 1.091 1.00 0.00 C ATOM 746 NZ LYS A 49 10.448 5.342 1.797 1.00 0.00 N ATOM 0 H LYS A 49 6.260 1.170 3.746 1.00 0.00 H new ATOM 0 HA LYS A 49 8.034 0.309 1.812 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.854 2.696 2.623 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.556 3.009 2.902 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.683 1.897 0.412 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.089 2.622 0.342 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.642 4.278 -0.446 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.107 4.798 1.140 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.311 3.229 1.758 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.793 3.952 0.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.441 5.327 2.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.297 6.145 1.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.830 5.444 2.627 1.00 0.00 H new ATOM 760 N THR A 50 9.742 1.581 4.340 1.00 0.00 N ATOM 761 CA THR A 50 11.026 1.524 5.033 1.00 0.00 C ATOM 762 C THR A 50 11.316 0.121 5.558 1.00 0.00 C ATOM 763 O THR A 50 12.475 -0.274 5.685 1.00 0.00 O ATOM 764 CB THR A 50 11.053 2.532 6.185 1.00 0.00 C ATOM 765 OG1 THR A 50 12.104 2.237 7.089 1.00 0.00 O ATOM 766 CG2 THR A 50 9.763 2.573 6.977 1.00 0.00 C ATOM 0 H THR A 50 9.113 2.309 4.679 1.00 0.00 H new ATOM 0 HA THR A 50 11.803 1.781 4.313 1.00 0.00 H new ATOM 0 HB THR A 50 11.201 3.503 5.713 1.00 0.00 H new ATOM 0 HG1 THR A 50 12.104 2.894 7.816 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.851 3.308 7.777 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.940 2.851 6.318 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.568 1.590 7.406 1.00 0.00 H new ATOM 774 N ARG A 51 10.263 -0.629 5.861 1.00 0.00 N ATOM 775 CA ARG A 51 10.423 -1.986 6.366 1.00 0.00 C ATOM 776 C ARG A 51 11.111 -2.864 5.326 1.00 0.00 C ATOM 777 O ARG A 51 12.220 -3.353 5.546 1.00 0.00 O ATOM 778 CB ARG A 51 9.064 -2.578 6.738 1.00 0.00 C ATOM 779 CG ARG A 51 9.149 -3.673 7.786 1.00 0.00 C ATOM 780 CD ARG A 51 9.674 -3.139 9.111 1.00 0.00 C ATOM 781 NE ARG A 51 10.758 -3.962 9.641 1.00 0.00 N ATOM 782 CZ ARG A 51 10.572 -5.090 10.323 1.00 0.00 C ATOM 783 NH1 ARG A 51 9.344 -5.538 10.557 1.00 0.00 N ATOM 784 NH2 ARG A 51 11.616 -5.773 10.771 1.00 0.00 N ATOM 0 H ARG A 51 9.295 -0.322 5.766 1.00 0.00 H new ATOM 0 HA ARG A 51 11.046 -1.950 7.259 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.418 -1.781 7.107 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.593 -2.980 5.841 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.163 -4.112 7.935 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.802 -4.469 7.429 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.028 -2.117 8.976 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.860 -3.101 9.835 1.00 0.00 H new ATOM 0 HE ARG A 51 11.717 -3.653 9.479 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.537 -5.017 10.214 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.208 -6.403 11.080 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.562 -5.434 10.593 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.474 -6.637 11.294 1.00 0.00 H new ATOM 798 N LEU A 52 10.448 -3.053 4.189 1.00 0.00 N ATOM 799 CA LEU A 52 10.993 -3.864 3.104 1.00 0.00 C ATOM 800 C LEU A 52 12.436 -3.470 2.798 1.00 0.00 C ATOM 801 O LEU A 52 13.251 -4.309 2.416 1.00 0.00 O ATOM 802 CB LEU A 52 10.147 -3.707 1.837 1.00 0.00 C ATOM 803 CG LEU A 52 8.637 -3.853 2.029 1.00 0.00 C ATOM 804 CD1 LEU A 52 7.886 -2.994 1.022 1.00 0.00 C ATOM 805 CD2 LEU A 52 8.226 -5.309 1.900 1.00 0.00 C ATOM 0 H LEU A 52 9.530 -2.654 3.994 1.00 0.00 H new ATOM 0 HA LEU A 52 10.971 -4.905 3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.347 -2.726 1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 52 10.476 -4.448 1.108 1.00 0.00 H new ATOM 0 HG LEU A 52 8.380 -3.509 3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.813 -3.110 1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.161 -1.948 1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.146 -3.307 0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.148 -5.397 2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.495 -5.677 0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.739 -5.900 2.658 1.00 0.00 H new ATOM 817 N GLU A 53 12.743 -2.188 2.962 1.00 0.00 N ATOM 818 CA GLU A 53 14.087 -1.685 2.697 1.00 0.00 C ATOM 819 C GLU A 53 15.121 -2.388 3.573 1.00 0.00 C ATOM 820 O GLU A 53 16.192 -2.769 3.100 1.00 0.00 O ATOM 821 CB GLU A 53 14.146 -0.174 2.931 1.00 0.00 C ATOM 822 CG GLU A 53 13.276 0.625 1.975 1.00 0.00 C ATOM 823 CD GLU A 53 13.660 2.090 1.923 1.00 0.00 C ATOM 824 OE1 GLU A 53 14.821 2.387 1.569 1.00 0.00 O ATOM 825 OE2 GLU A 53 12.801 2.941 2.235 1.00 0.00 O ATOM 0 H GLU A 53 12.081 -1.479 3.277 1.00 0.00 H new ATOM 0 HA GLU A 53 14.323 -1.894 1.654 1.00 0.00 H new ATOM 0 HB2 GLU A 53 13.837 0.039 3.954 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.179 0.160 2.834 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.354 0.197 0.975 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.233 0.537 2.279 1.00 0.00 H new ATOM 832 N ARG A 54 14.797 -2.553 4.852 1.00 0.00 N ATOM 833 CA ARG A 54 15.703 -3.208 5.792 1.00 0.00 C ATOM 834 C ARG A 54 15.453 -4.713 5.850 1.00 0.00 C ATOM 835 O ARG A 54 16.334 -5.483 6.230 1.00 0.00 O ATOM 836 CB ARG A 54 15.550 -2.603 7.189 1.00 0.00 C ATOM 837 CG ARG A 54 14.105 -2.425 7.626 1.00 0.00 C ATOM 838 CD ARG A 54 14.009 -2.066 9.100 1.00 0.00 C ATOM 839 NE ARG A 54 14.458 -0.699 9.361 1.00 0.00 N ATOM 840 CZ ARG A 54 14.538 -0.164 10.576 1.00 0.00 C ATOM 841 NH1 ARG A 54 14.204 -0.875 11.646 1.00 0.00 N ATOM 842 NH2 ARG A 54 14.955 1.087 10.723 1.00 0.00 N ATOM 0 H ARG A 54 13.916 -2.243 5.261 1.00 0.00 H new ATOM 0 HA ARG A 54 16.721 -3.045 5.438 1.00 0.00 H new ATOM 0 HB2 ARG A 54 16.061 -3.242 7.909 1.00 0.00 H new ATOM 0 HB3 ARG A 54 16.049 -1.634 7.212 1.00 0.00 H new ATOM 0 HG2 ARG A 54 13.637 -1.643 7.029 1.00 0.00 H new ATOM 0 HG3 ARG A 54 13.551 -3.345 7.438 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.978 -2.179 9.434 1.00 0.00 H new ATOM 0 HD3 ARG A 54 14.611 -2.763 9.683 1.00 0.00 H new ATOM 0 HE ARG A 54 14.726 -0.122 8.564 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.884 -1.838 11.539 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.268 -0.459 12.575 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.214 1.638 9.904 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.017 1.498 11.655 1.00 0.00 H new ATOM 856 N ASP A 55 14.248 -5.125 5.471 1.00 0.00 N ATOM 857 CA ASP A 55 13.884 -6.537 5.480 1.00 0.00 C ATOM 858 C ASP A 55 14.406 -7.233 4.229 1.00 0.00 C ATOM 859 O ASP A 55 14.973 -8.323 4.300 1.00 0.00 O ATOM 860 CB ASP A 55 12.365 -6.695 5.574 1.00 0.00 C ATOM 861 CG ASP A 55 11.950 -7.673 6.653 1.00 0.00 C ATOM 862 OD1 ASP A 55 11.984 -7.295 7.844 1.00 0.00 O ATOM 863 OD2 ASP A 55 11.593 -8.821 6.311 1.00 0.00 O ATOM 0 H ASP A 55 13.506 -4.501 5.154 1.00 0.00 H new ATOM 0 HA ASP A 55 14.341 -7.003 6.353 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.914 -5.724 5.775 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.978 -7.033 4.613 1.00 0.00 H new ATOM 868 N VAL A 56 14.215 -6.587 3.088 1.00 0.00 N ATOM 869 CA VAL A 56 14.665 -7.127 1.813 1.00 0.00 C ATOM 870 C VAL A 56 16.126 -6.777 1.567 1.00 0.00 C ATOM 871 O VAL A 56 16.858 -7.528 0.922 1.00 0.00 O ATOM 872 CB VAL A 56 13.821 -6.582 0.648 1.00 0.00 C ATOM 873 CG1 VAL A 56 14.190 -7.278 -0.652 1.00 0.00 C ATOM 874 CG2 VAL A 56 12.337 -6.735 0.946 1.00 0.00 C ATOM 0 H VAL A 56 13.748 -5.683 3.019 1.00 0.00 H new ATOM 0 HA VAL A 56 14.549 -8.210 1.862 1.00 0.00 H new ATOM 0 HB VAL A 56 14.035 -5.519 0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 56 13.582 -6.879 -1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 56 15.244 -7.107 -0.870 1.00 0.00 H new ATOM 0 HG13 VAL A 56 14.009 -8.348 -0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.756 -6.344 0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 56 12.102 -7.790 1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.089 -6.181 1.851 1.00 0.00 H new ATOM 884 N GLY A 57 16.540 -5.626 2.083 1.00 0.00 N ATOM 885 CA GLY A 57 17.911 -5.184 1.907 1.00 0.00 C ATOM 886 C GLY A 57 18.127 -4.481 0.581 1.00 0.00 C ATOM 887 O GLY A 57 19.259 -4.354 0.115 1.00 0.00 O ATOM 0 H GLY A 57 15.951 -4.990 2.621 1.00 0.00 H new ATOM 0 HA2 GLY A 57 18.180 -4.510 2.720 1.00 0.00 H new ATOM 0 HA3 GLY A 57 18.578 -6.044 1.972 1.00 0.00 H new ATOM 891 N SER A 58 17.036 -4.021 -0.029 1.00 0.00 N ATOM 892 CA SER A 58 17.110 -3.326 -1.308 1.00 0.00 C ATOM 893 C SER A 58 16.375 -1.990 -1.240 1.00 0.00 C ATOM 894 O SER A 58 15.614 -1.738 -0.307 1.00 0.00 O ATOM 895 CB SER A 58 16.515 -4.194 -2.419 1.00 0.00 C ATOM 896 OG SER A 58 17.524 -4.936 -3.082 1.00 0.00 O ATOM 0 H SER A 58 16.092 -4.118 0.344 1.00 0.00 H new ATOM 0 HA SER A 58 18.159 -3.134 -1.531 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.777 -4.875 -1.996 1.00 0.00 H new ATOM 0 HB3 SER A 58 15.992 -3.563 -3.137 1.00 0.00 H new ATOM 0 HG SER A 58 17.340 -4.951 -4.044 1.00 0.00 H new ATOM 902 N THR A 59 16.609 -1.139 -2.233 1.00 0.00 N ATOM 903 CA THR A 59 15.968 0.171 -2.282 1.00 0.00 C ATOM 904 C THR A 59 14.648 0.106 -3.044 1.00 0.00 C ATOM 905 O THR A 59 14.605 -0.328 -4.195 1.00 0.00 O ATOM 906 CB THR A 59 16.901 1.196 -2.935 1.00 0.00 C ATOM 907 OG1 THR A 59 17.965 0.548 -3.608 1.00 0.00 O ATOM 908 CG2 THR A 59 17.508 2.167 -1.945 1.00 0.00 C ATOM 0 H THR A 59 17.236 -1.332 -3.014 1.00 0.00 H new ATOM 0 HA THR A 59 15.758 0.482 -1.259 1.00 0.00 H new ATOM 0 HB THR A 59 16.275 1.754 -3.631 1.00 0.00 H new ATOM 0 HG1 THR A 59 18.549 1.219 -4.020 1.00 0.00 H new ATOM 0 HG21 THR A 59 18.158 2.865 -2.472 1.00 0.00 H new ATOM 0 HG22 THR A 59 16.713 2.719 -1.443 1.00 0.00 H new ATOM 0 HG23 THR A 59 18.090 1.617 -1.206 1.00 0.00 H new ATOM 916 N ILE A 60 13.573 0.542 -2.394 1.00 0.00 N ATOM 917 CA ILE A 60 12.253 0.538 -3.011 1.00 0.00 C ATOM 918 C ILE A 60 12.121 1.678 -4.022 1.00 0.00 C ATOM 919 O ILE A 60 12.460 2.821 -3.718 1.00 0.00 O ATOM 920 CB ILE A 60 11.140 0.665 -1.950 1.00 0.00 C ATOM 921 CG1 ILE A 60 9.766 0.474 -2.593 1.00 0.00 C ATOM 922 CG2 ILE A 60 11.223 2.012 -1.245 1.00 0.00 C ATOM 923 CD1 ILE A 60 9.146 -0.874 -2.299 1.00 0.00 C ATOM 0 H ILE A 60 13.591 0.902 -1.440 1.00 0.00 H new ATOM 0 HA ILE A 60 12.140 -0.415 -3.528 1.00 0.00 H new ATOM 0 HB ILE A 60 11.282 -0.118 -1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.096 1.258 -2.240 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.858 0.595 -3.672 1.00 0.00 H new ATOM 0 HG21 ILE A 60 10.430 2.083 -0.501 1.00 0.00 H new ATOM 0 HG22 ILE A 60 12.191 2.106 -0.754 1.00 0.00 H new ATOM 0 HG23 ILE A 60 11.107 2.813 -1.975 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.173 -0.941 -2.786 1.00 0.00 H new ATOM 0 HD12 ILE A 60 9.796 -1.663 -2.677 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.022 -0.990 -1.222 1.00 0.00 H new ATOM 935 N PRO A 61 11.632 1.390 -5.245 1.00 0.00 N ATOM 936 CA PRO A 61 11.472 2.404 -6.290 1.00 0.00 C ATOM 937 C PRO A 61 10.237 3.282 -6.081 1.00 0.00 C ATOM 938 O PRO A 61 9.461 3.504 -7.010 1.00 0.00 O ATOM 939 CB PRO A 61 11.327 1.582 -7.584 1.00 0.00 C ATOM 940 CG PRO A 61 11.503 0.148 -7.190 1.00 0.00 C ATOM 941 CD PRO A 61 11.209 0.070 -5.721 1.00 0.00 C ATOM 0 HA PRO A 61 12.314 3.097 -6.300 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.350 1.743 -8.040 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.075 1.878 -8.319 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.828 -0.495 -7.755 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.517 -0.190 -7.401 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.152 -0.112 -5.527 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.765 -0.733 -5.238 1.00 0.00 H new ATOM 949 N TYR A 62 10.061 3.784 -4.861 1.00 0.00 N ATOM 950 CA TYR A 62 8.921 4.638 -4.549 1.00 0.00 C ATOM 951 C TYR A 62 9.306 5.723 -3.549 1.00 0.00 C ATOM 952 O TYR A 62 10.124 5.499 -2.657 1.00 0.00 O ATOM 953 CB TYR A 62 7.772 3.798 -3.994 1.00 0.00 C ATOM 954 CG TYR A 62 7.144 2.889 -5.023 1.00 0.00 C ATOM 955 CD1 TYR A 62 6.326 3.400 -6.020 1.00 0.00 C ATOM 956 CD2 TYR A 62 7.373 1.519 -4.997 1.00 0.00 C ATOM 957 CE1 TYR A 62 5.751 2.573 -6.965 1.00 0.00 C ATOM 958 CE2 TYR A 62 6.802 0.684 -5.938 1.00 0.00 C ATOM 959 CZ TYR A 62 5.992 1.216 -6.919 1.00 0.00 C ATOM 960 OH TYR A 62 5.418 0.392 -7.858 1.00 0.00 O ATOM 0 H TYR A 62 10.691 3.614 -4.077 1.00 0.00 H new ATOM 0 HA TYR A 62 8.598 5.123 -5.470 1.00 0.00 H new ATOM 0 HB2 TYR A 62 8.140 3.195 -3.164 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.007 4.462 -3.591 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.136 4.462 -6.058 1.00 0.00 H new ATOM 0 HD2 TYR A 62 8.007 1.100 -4.229 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.117 2.986 -7.735 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.989 -0.379 -5.905 1.00 0.00 H new ATOM 0 HH TYR A 62 4.442 0.455 -7.796 1.00 0.00 H new ATOM 970 N ASP A 63 8.708 6.899 -3.706 1.00 0.00 N ATOM 971 CA ASP A 63 8.983 8.024 -2.820 1.00 0.00 C ATOM 972 C ASP A 63 7.716 8.833 -2.561 1.00 0.00 C ATOM 973 O ASP A 63 7.131 9.399 -3.485 1.00 0.00 O ATOM 974 CB ASP A 63 10.062 8.924 -3.423 1.00 0.00 C ATOM 975 CG ASP A 63 11.381 8.199 -3.612 1.00 0.00 C ATOM 976 OD1 ASP A 63 12.020 7.856 -2.596 1.00 0.00 O ATOM 977 OD2 ASP A 63 11.773 7.974 -4.776 1.00 0.00 O ATOM 0 H ASP A 63 8.028 7.098 -4.440 1.00 0.00 H new ATOM 0 HA ASP A 63 9.341 7.627 -1.870 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.718 9.304 -4.385 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.215 9.787 -2.775 1.00 0.00 H new ATOM 982 N PHE A 64 7.297 8.882 -1.301 1.00 0.00 N ATOM 983 CA PHE A 64 6.098 9.623 -0.925 1.00 0.00 C ATOM 984 C PHE A 64 6.203 10.145 0.507 1.00 0.00 C ATOM 985 O PHE A 64 5.931 9.419 1.462 1.00 0.00 O ATOM 986 CB PHE A 64 4.860 8.734 -1.066 1.00 0.00 C ATOM 987 CG PHE A 64 4.922 7.480 -0.240 1.00 0.00 C ATOM 988 CD1 PHE A 64 5.700 6.407 -0.642 1.00 0.00 C ATOM 989 CD2 PHE A 64 4.200 7.376 0.939 1.00 0.00 C ATOM 990 CE1 PHE A 64 5.757 5.252 0.116 1.00 0.00 C ATOM 991 CE2 PHE A 64 4.252 6.224 1.701 1.00 0.00 C ATOM 992 CZ PHE A 64 5.032 5.161 1.289 1.00 0.00 C ATOM 0 H PHE A 64 7.769 8.419 -0.524 1.00 0.00 H new ATOM 0 HA PHE A 64 6.004 10.477 -1.596 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.978 9.306 -0.778 1.00 0.00 H new ATOM 0 HB3 PHE A 64 4.735 8.463 -2.114 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.269 6.473 -1.558 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.590 8.205 1.266 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.367 4.422 -0.208 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.684 6.155 2.617 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.075 4.260 1.883 1.00 0.00 H new ATOM 1002 N PRO A 65 6.601 11.420 0.679 1.00 0.00 N ATOM 1003 CA PRO A 65 6.737 12.030 2.005 1.00 0.00 C ATOM 1004 C PRO A 65 5.388 12.250 2.681 1.00 0.00 C ATOM 1005 O PRO A 65 4.584 13.066 2.232 1.00 0.00 O ATOM 1006 CB PRO A 65 7.414 13.371 1.714 1.00 0.00 C ATOM 1007 CG PRO A 65 7.041 13.685 0.306 1.00 0.00 C ATOM 1008 CD PRO A 65 6.948 12.363 -0.402 1.00 0.00 C ATOM 0 HA PRO A 65 7.299 11.395 2.689 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.068 14.146 2.398 1.00 0.00 H new ATOM 0 HB3 PRO A 65 8.495 13.302 1.831 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.091 14.218 0.264 1.00 0.00 H new ATOM 0 HG3 PRO A 65 7.788 14.327 -0.162 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.187 12.378 -1.182 1.00 0.00 H new ATOM 0 HD3 PRO A 65 7.890 12.096 -0.881 1.00 0.00 H new ATOM 1258 N TYR A 79 -7.012 16.039 8.330 1.00 0.00 N ATOM 1259 CA TYR A 79 -6.860 14.669 7.853 1.00 0.00 C ATOM 1260 C TYR A 79 -8.064 14.238 7.017 1.00 0.00 C ATOM 1261 O TYR A 79 -7.977 13.292 6.233 1.00 0.00 O ATOM 1262 CB TYR A 79 -6.663 13.714 9.037 1.00 0.00 C ATOM 1263 CG TYR A 79 -7.944 13.333 9.750 1.00 0.00 C ATOM 1264 CD1 TYR A 79 -8.897 14.291 10.074 1.00 0.00 C ATOM 1265 CD2 TYR A 79 -8.197 12.012 10.099 1.00 0.00 C ATOM 1266 CE1 TYR A 79 -10.065 13.942 10.727 1.00 0.00 C ATOM 1267 CE2 TYR A 79 -9.363 11.657 10.751 1.00 0.00 C ATOM 1268 CZ TYR A 79 -10.293 12.625 11.062 1.00 0.00 C ATOM 1269 OH TYR A 79 -11.454 12.274 11.712 1.00 0.00 O ATOM 0 HA TYR A 79 -5.977 14.629 7.215 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.176 12.807 8.680 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -5.986 14.178 9.754 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -8.723 15.324 9.812 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.471 11.250 9.857 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.795 14.698 10.973 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -9.544 10.626 11.015 1.00 0.00 H new ATOM 0 HH TYR A 79 -11.874 11.520 11.248 1.00 0.00 H new ATOM 1279 N ASP A 80 -9.188 14.928 7.192 1.00 0.00 N ATOM 1280 CA ASP A 80 -10.404 14.604 6.454 1.00 0.00 C ATOM 1281 C ASP A 80 -10.679 15.625 5.353 1.00 0.00 C ATOM 1282 O ASP A 80 -11.826 15.818 4.949 1.00 0.00 O ATOM 1283 CB ASP A 80 -11.598 14.536 7.408 1.00 0.00 C ATOM 1284 CG ASP A 80 -11.863 15.861 8.096 1.00 0.00 C ATOM 1285 OD1 ASP A 80 -12.610 16.685 7.527 1.00 0.00 O ATOM 1286 OD2 ASP A 80 -11.325 16.074 9.202 1.00 0.00 O ATOM 0 H ASP A 80 -9.281 15.713 7.837 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.258 13.631 5.985 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.486 14.233 6.853 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.415 13.769 8.160 1.00 0.00 H new ATOM 1291 N ASP A 81 -9.626 16.273 4.865 1.00 0.00 N ATOM 1292 CA ASP A 81 -9.770 17.266 3.806 1.00 0.00 C ATOM 1293 C ASP A 81 -9.686 16.605 2.429 1.00 0.00 C ATOM 1294 O ASP A 81 -8.671 15.997 2.089 1.00 0.00 O ATOM 1295 CB ASP A 81 -8.691 18.345 3.934 1.00 0.00 C ATOM 1296 CG ASP A 81 -9.270 19.701 4.289 1.00 0.00 C ATOM 1297 OD1 ASP A 81 -10.369 19.742 4.881 1.00 0.00 O ATOM 1298 OD2 ASP A 81 -8.623 20.723 3.974 1.00 0.00 O ATOM 0 H ASP A 81 -8.668 16.129 5.184 1.00 0.00 H new ATOM 0 HA ASP A 81 -10.750 17.732 3.910 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.973 18.048 4.698 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.144 18.421 2.994 1.00 0.00 H new ATOM 1303 N PRO A 82 -10.752 16.715 1.613 1.00 0.00 N ATOM 1304 CA PRO A 82 -10.781 16.120 0.272 1.00 0.00 C ATOM 1305 C PRO A 82 -9.547 16.483 -0.547 1.00 0.00 C ATOM 1306 O PRO A 82 -9.083 15.695 -1.370 1.00 0.00 O ATOM 1307 CB PRO A 82 -12.038 16.724 -0.357 1.00 0.00 C ATOM 1308 CG PRO A 82 -12.923 17.037 0.799 1.00 0.00 C ATOM 1309 CD PRO A 82 -12.008 17.422 1.930 1.00 0.00 C ATOM 0 HA PRO A 82 -10.789 15.031 0.308 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -11.803 17.621 -0.930 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -12.514 16.023 -1.043 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -13.608 17.850 0.557 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.534 16.175 1.067 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -11.860 18.501 1.977 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -12.410 17.113 2.895 1.00 0.00 H new ATOM 1317 N GLU A 83 -9.019 17.681 -0.314 1.00 0.00 N ATOM 1318 CA GLU A 83 -7.837 18.146 -1.030 1.00 0.00 C ATOM 1319 C GLU A 83 -6.660 17.203 -0.797 1.00 0.00 C ATOM 1320 O GLU A 83 -5.983 16.795 -1.740 1.00 0.00 O ATOM 1321 CB GLU A 83 -7.472 19.565 -0.585 1.00 0.00 C ATOM 1322 CG GLU A 83 -7.693 20.613 -1.663 1.00 0.00 C ATOM 1323 CD GLU A 83 -6.775 20.425 -2.855 1.00 0.00 C ATOM 1324 OE1 GLU A 83 -6.979 19.454 -3.614 1.00 0.00 O ATOM 1325 OE2 GLU A 83 -5.851 21.248 -3.028 1.00 0.00 O ATOM 0 H GLU A 83 -9.391 18.346 0.364 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.064 18.158 -2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.065 19.826 0.292 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.426 19.584 -0.280 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.730 20.572 -1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -7.534 21.604 -1.239 1.00 0.00 H new ATOM 1332 N MET A 84 -6.426 16.858 0.465 1.00 0.00 N ATOM 1333 CA MET A 84 -5.336 15.960 0.823 1.00 0.00 C ATOM 1334 C MET A 84 -5.703 14.514 0.504 1.00 0.00 C ATOM 1335 O MET A 84 -4.896 13.765 -0.046 1.00 0.00 O ATOM 1336 CB MET A 84 -4.998 16.098 2.308 1.00 0.00 C ATOM 1337 CG MET A 84 -3.756 15.328 2.725 1.00 0.00 C ATOM 1338 SD MET A 84 -3.633 15.119 4.512 1.00 0.00 S ATOM 1339 CE MET A 84 -5.213 14.361 4.877 1.00 0.00 C ATOM 0 H MET A 84 -6.978 17.188 1.257 1.00 0.00 H new ATOM 0 HA MET A 84 -4.461 16.235 0.234 1.00 0.00 H new ATOM 0 HB2 MET A 84 -4.857 17.153 2.543 1.00 0.00 H new ATOM 0 HB3 MET A 84 -5.846 15.750 2.899 1.00 0.00 H new ATOM 0 HG2 MET A 84 -3.764 14.348 2.249 1.00 0.00 H new ATOM 0 HG3 MET A 84 -2.871 15.851 2.363 1.00 0.00 H new ATOM 0 HE1 MET A 84 -5.104 13.683 5.723 1.00 0.00 H new ATOM 0 HE2 MET A 84 -5.940 15.135 5.123 1.00 0.00 H new ATOM 0 HE3 MET A 84 -5.558 13.803 4.007 1.00 0.00 H new ATOM 1349 N ILE A 85 -6.928 14.133 0.851 1.00 0.00 N ATOM 1350 CA ILE A 85 -7.408 12.779 0.600 1.00 0.00 C ATOM 1351 C ILE A 85 -7.417 12.476 -0.898 1.00 0.00 C ATOM 1352 O ILE A 85 -7.120 11.356 -1.315 1.00 0.00 O ATOM 1353 CB ILE A 85 -8.824 12.574 1.186 1.00 0.00 C ATOM 1354 CG1 ILE A 85 -8.757 12.479 2.712 1.00 0.00 C ATOM 1355 CG2 ILE A 85 -9.487 11.333 0.602 1.00 0.00 C ATOM 1356 CD1 ILE A 85 -9.773 13.351 3.417 1.00 0.00 C ATOM 0 H ILE A 85 -7.607 14.743 1.307 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.724 12.089 1.095 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.432 13.437 0.914 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.911 11.442 3.010 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.757 12.761 3.042 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.481 11.215 1.033 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -9.571 11.440 -0.480 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.884 10.455 0.834 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -9.668 13.233 4.495 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -9.606 14.394 3.148 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -10.778 13.055 3.116 1.00 0.00 H new ATOM 1368 N ASP A 86 -7.759 13.479 -1.699 1.00 0.00 N ATOM 1369 CA ASP A 86 -7.806 13.320 -3.150 1.00 0.00 C ATOM 1370 C ASP A 86 -6.493 12.753 -3.683 1.00 0.00 C ATOM 1371 O ASP A 86 -6.482 11.734 -4.375 1.00 0.00 O ATOM 1372 CB ASP A 86 -8.104 14.663 -3.822 1.00 0.00 C ATOM 1373 CG ASP A 86 -9.581 14.849 -4.111 1.00 0.00 C ATOM 1374 OD1 ASP A 86 -10.151 14.016 -4.844 1.00 0.00 O ATOM 1375 OD2 ASP A 86 -10.166 15.829 -3.603 1.00 0.00 O ATOM 0 H ASP A 86 -8.008 14.412 -1.369 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.605 12.617 -3.385 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.757 15.473 -3.180 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.543 14.733 -4.754 1.00 0.00 H new ATOM 1380 N GLU A 87 -5.388 13.416 -3.355 1.00 0.00 N ATOM 1381 CA GLU A 87 -4.072 12.974 -3.800 1.00 0.00 C ATOM 1382 C GLU A 87 -3.663 11.689 -3.091 1.00 0.00 C ATOM 1383 O GLU A 87 -3.205 10.739 -3.724 1.00 0.00 O ATOM 1384 CB GLU A 87 -3.029 14.065 -3.545 1.00 0.00 C ATOM 1385 CG GLU A 87 -3.351 15.384 -4.227 1.00 0.00 C ATOM 1386 CD GLU A 87 -3.058 15.359 -5.714 1.00 0.00 C ATOM 1387 OE1 GLU A 87 -3.439 14.373 -6.379 1.00 0.00 O ATOM 1388 OE2 GLU A 87 -2.445 16.325 -6.215 1.00 0.00 O ATOM 0 H GLU A 87 -5.378 14.261 -2.783 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.126 12.777 -4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.945 14.232 -2.471 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.056 13.714 -3.891 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.403 15.621 -4.072 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.772 16.181 -3.760 1.00 0.00 H new ATOM 1395 N ARG A 88 -3.840 11.660 -1.773 1.00 0.00 N ATOM 1396 CA ARG A 88 -3.494 10.480 -0.985 1.00 0.00 C ATOM 1397 C ARG A 88 -4.171 9.236 -1.554 1.00 0.00 C ATOM 1398 O ARG A 88 -3.696 8.115 -1.366 1.00 0.00 O ATOM 1399 CB ARG A 88 -3.905 10.679 0.475 1.00 0.00 C ATOM 1400 CG ARG A 88 -3.025 11.665 1.226 1.00 0.00 C ATOM 1401 CD ARG A 88 -2.649 11.144 2.605 1.00 0.00 C ATOM 1402 NE ARG A 88 -3.816 10.685 3.354 1.00 0.00 N ATOM 1403 CZ ARG A 88 -3.812 10.455 4.666 1.00 0.00 C ATOM 1404 NH1 ARG A 88 -2.704 10.637 5.376 1.00 0.00 N ATOM 1405 NH2 ARG A 88 -4.916 10.040 5.271 1.00 0.00 N ATOM 0 H ARG A 88 -4.219 12.436 -1.230 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.414 10.340 -1.033 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.937 11.027 0.509 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.876 9.717 0.986 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.120 11.857 0.650 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.547 12.616 1.326 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -1.939 10.323 2.501 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.146 11.932 3.165 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.685 10.532 2.842 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.850 10.954 4.917 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.707 10.459 6.380 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -5.770 9.896 4.732 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.912 9.864 6.276 1.00 0.00 H new ATOM 1419 N ARG A 89 -5.285 9.443 -2.252 1.00 0.00 N ATOM 1420 CA ARG A 89 -6.031 8.346 -2.854 1.00 0.00 C ATOM 1421 C ARG A 89 -5.168 7.574 -3.847 1.00 0.00 C ATOM 1422 O ARG A 89 -5.143 6.344 -3.834 1.00 0.00 O ATOM 1423 CB ARG A 89 -7.276 8.883 -3.561 1.00 0.00 C ATOM 1424 CG ARG A 89 -8.466 7.942 -3.494 1.00 0.00 C ATOM 1425 CD ARG A 89 -9.777 8.707 -3.401 1.00 0.00 C ATOM 1426 NE ARG A 89 -10.926 7.863 -3.716 1.00 0.00 N ATOM 1427 CZ ARG A 89 -12.124 8.336 -4.052 1.00 0.00 C ATOM 1428 NH1 ARG A 89 -12.333 9.645 -4.116 1.00 0.00 N ATOM 1429 NH2 ARG A 89 -13.114 7.498 -4.325 1.00 0.00 N ATOM 0 H ARG A 89 -5.690 10.365 -2.414 1.00 0.00 H new ATOM 0 HA ARG A 89 -6.331 7.665 -2.057 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.553 9.838 -3.115 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.035 9.077 -4.606 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -8.477 7.305 -4.378 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -8.364 7.286 -2.629 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -9.890 9.112 -2.395 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -9.751 9.555 -4.085 1.00 0.00 H new ATOM 0 HE ARG A 89 -10.803 6.851 -3.676 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -11.574 10.293 -3.907 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -13.253 10.003 -4.374 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -12.958 6.491 -4.278 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -14.032 7.860 -4.582 1.00 0.00 H new ATOM 1443 N ILE A 90 -4.466 8.302 -4.709 1.00 0.00 N ATOM 1444 CA ILE A 90 -3.608 7.673 -5.708 1.00 0.00 C ATOM 1445 C ILE A 90 -2.175 7.549 -5.205 1.00 0.00 C ATOM 1446 O ILE A 90 -1.816 8.114 -4.172 1.00 0.00 O ATOM 1447 CB ILE A 90 -3.611 8.442 -7.046 1.00 0.00 C ATOM 1448 CG1 ILE A 90 -3.435 9.947 -6.820 1.00 0.00 C ATOM 1449 CG2 ILE A 90 -4.898 8.165 -7.808 1.00 0.00 C ATOM 1450 CD1 ILE A 90 -2.052 10.328 -6.338 1.00 0.00 C ATOM 0 H ILE A 90 -4.473 9.322 -4.737 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.019 6.678 -5.881 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.767 8.092 -7.640 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.644 10.473 -7.752 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.171 10.285 -6.091 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.888 8.713 -8.750 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.978 7.097 -8.010 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.751 8.486 -7.210 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.000 11.408 -6.199 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.847 9.830 -5.390 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.312 10.021 -7.077 1.00 0.00 H new ATOM 1462 N GLY A 91 -1.363 6.796 -5.940 1.00 0.00 N ATOM 1463 CA GLY A 91 0.022 6.604 -5.554 1.00 0.00 C ATOM 1464 C GLY A 91 0.230 5.329 -4.758 1.00 0.00 C ATOM 1465 O GLY A 91 1.277 4.690 -4.859 1.00 0.00 O ATOM 0 H GLY A 91 -1.640 6.315 -6.796 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.645 6.576 -6.448 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.353 7.457 -4.961 1.00 0.00 H new ATOM 1469 N LEU A 92 -0.770 4.961 -3.963 1.00 0.00 N ATOM 1470 CA LEU A 92 -0.692 3.754 -3.146 1.00 0.00 C ATOM 1471 C LEU A 92 -0.950 2.509 -3.987 1.00 0.00 C ATOM 1472 O LEU A 92 -0.201 1.534 -3.917 1.00 0.00 O ATOM 1473 CB LEU A 92 -1.702 3.825 -1.998 1.00 0.00 C ATOM 1474 CG LEU A 92 -1.696 5.135 -1.208 1.00 0.00 C ATOM 1475 CD1 LEU A 92 -3.097 5.471 -0.720 1.00 0.00 C ATOM 1476 CD2 LEU A 92 -0.729 5.044 -0.038 1.00 0.00 C ATOM 0 H LEU A 92 -1.643 5.480 -3.867 1.00 0.00 H new ATOM 0 HA LEU A 92 0.315 3.689 -2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.701 3.668 -2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.505 3.003 -1.310 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.363 5.936 -1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.073 6.406 -0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.764 5.577 -1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.459 4.671 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.736 5.984 0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.033 4.232 0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.277 4.850 -0.411 1.00 0.00 H new ATOM 1488 N GLU A 93 -2.016 2.545 -4.781 1.00 0.00 N ATOM 1489 CA GLU A 93 -2.373 1.418 -5.636 1.00 0.00 C ATOM 1490 C GLU A 93 -1.234 1.073 -6.589 1.00 0.00 C ATOM 1491 O GLU A 93 -1.018 -0.093 -6.918 1.00 0.00 O ATOM 1492 CB GLU A 93 -3.640 1.737 -6.431 1.00 0.00 C ATOM 1493 CG GLU A 93 -3.624 3.114 -7.075 1.00 0.00 C ATOM 1494 CD GLU A 93 -3.985 3.076 -8.547 1.00 0.00 C ATOM 1495 OE1 GLU A 93 -3.414 2.239 -9.277 1.00 0.00 O ATOM 1496 OE2 GLU A 93 -4.838 3.884 -8.970 1.00 0.00 O ATOM 0 H GLU A 93 -2.648 3.343 -4.850 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.560 0.555 -4.997 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.771 0.983 -7.208 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.502 1.665 -5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.324 3.764 -6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.633 3.553 -6.959 1.00 0.00 H new ATOM 1503 N ARG A 94 -0.507 2.094 -7.027 1.00 0.00 N ATOM 1504 CA ARG A 94 0.613 1.899 -7.942 1.00 0.00 C ATOM 1505 C ARG A 94 1.814 1.311 -7.208 1.00 0.00 C ATOM 1506 O ARG A 94 2.594 0.549 -7.781 1.00 0.00 O ATOM 1507 CB ARG A 94 0.999 3.226 -8.598 1.00 0.00 C ATOM 1508 CG ARG A 94 -0.195 4.031 -9.086 1.00 0.00 C ATOM 1509 CD ARG A 94 0.242 5.280 -9.836 1.00 0.00 C ATOM 1510 NE ARG A 94 1.054 6.164 -9.004 1.00 0.00 N ATOM 1511 CZ ARG A 94 1.280 7.445 -9.285 1.00 0.00 C ATOM 1512 NH1 ARG A 94 0.754 7.995 -10.373 1.00 0.00 N ATOM 1513 NH2 ARG A 94 2.033 8.179 -8.477 1.00 0.00 N ATOM 0 H ARG A 94 -0.672 3.066 -6.764 1.00 0.00 H new ATOM 0 HA ARG A 94 0.303 1.197 -8.716 1.00 0.00 H new ATOM 0 HB2 ARG A 94 1.563 3.825 -7.883 1.00 0.00 H new ATOM 0 HB3 ARG A 94 1.662 3.027 -9.440 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.811 3.411 -9.738 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.816 4.315 -8.236 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.811 4.991 -10.720 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.638 5.819 -10.185 1.00 0.00 H new ATOM 0 HE ARG A 94 1.472 5.777 -8.158 1.00 0.00 H new ATOM 0 HH11 ARG A 94 0.174 7.435 -10.998 1.00 0.00 H new ATOM 0 HH12 ARG A 94 0.930 8.977 -10.584 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.439 7.762 -7.640 1.00 0.00 H new ATOM 0 HH22 ARG A 94 2.206 9.161 -8.693 1.00 0.00 H new ATOM 1527 N PHE A 95 1.955 1.671 -5.935 1.00 0.00 N ATOM 1528 CA PHE A 95 3.059 1.182 -5.118 1.00 0.00 C ATOM 1529 C PHE A 95 3.004 -0.337 -4.979 1.00 0.00 C ATOM 1530 O PHE A 95 4.036 -0.996 -4.852 1.00 0.00 O ATOM 1531 CB PHE A 95 3.026 1.840 -3.737 1.00 0.00 C ATOM 1532 CG PHE A 95 4.124 1.379 -2.820 1.00 0.00 C ATOM 1533 CD1 PHE A 95 3.988 0.206 -2.093 1.00 0.00 C ATOM 1534 CD2 PHE A 95 5.290 2.117 -2.682 1.00 0.00 C ATOM 1535 CE1 PHE A 95 4.993 -0.222 -1.247 1.00 0.00 C ATOM 1536 CE2 PHE A 95 6.298 1.693 -1.836 1.00 0.00 C ATOM 1537 CZ PHE A 95 6.149 0.523 -1.119 1.00 0.00 C ATOM 0 H PHE A 95 1.317 2.300 -5.448 1.00 0.00 H new ATOM 0 HA PHE A 95 3.993 1.445 -5.615 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.096 2.921 -3.858 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.064 1.633 -3.269 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.086 -0.380 -2.189 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.412 3.033 -3.241 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.875 -1.138 -0.687 1.00 0.00 H new ATOM 0 HE2 PHE A 95 7.201 2.277 -1.736 1.00 0.00 H new ATOM 0 HZ PHE A 95 6.936 0.190 -0.458 1.00 0.00 H new ATOM 1547 N LEU A 96 1.793 -0.886 -5.001 1.00 0.00 N ATOM 1548 CA LEU A 96 1.603 -2.327 -4.874 1.00 0.00 C ATOM 1549 C LEU A 96 1.675 -3.018 -6.234 1.00 0.00 C ATOM 1550 O LEU A 96 2.136 -4.154 -6.341 1.00 0.00 O ATOM 1551 CB LEU A 96 0.257 -2.629 -4.212 1.00 0.00 C ATOM 1552 CG LEU A 96 -0.087 -1.747 -3.009 1.00 0.00 C ATOM 1553 CD1 LEU A 96 -1.579 -1.797 -2.721 1.00 0.00 C ATOM 1554 CD2 LEU A 96 0.713 -2.179 -1.788 1.00 0.00 C ATOM 0 H LEU A 96 0.929 -0.355 -5.106 1.00 0.00 H new ATOM 0 HA LEU A 96 2.408 -2.714 -4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.530 -2.521 -4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.253 -3.671 -3.892 1.00 0.00 H new ATOM 0 HG LEU A 96 0.180 -0.717 -3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.805 -1.164 -1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.130 -1.439 -3.591 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.873 -2.824 -2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.457 -1.542 -0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.477 -3.216 -1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.778 -2.089 -2.001 1.00 0.00 H new ATOM 1566 N ASN A 97 1.206 -2.328 -7.271 1.00 0.00 N ATOM 1567 CA ASN A 97 1.204 -2.877 -8.624 1.00 0.00 C ATOM 1568 C ASN A 97 2.579 -3.420 -9.014 1.00 0.00 C ATOM 1569 O ASN A 97 2.725 -4.607 -9.304 1.00 0.00 O ATOM 1570 CB ASN A 97 0.764 -1.806 -9.626 1.00 0.00 C ATOM 1571 CG ASN A 97 -0.593 -2.105 -10.233 1.00 0.00 C ATOM 1572 OD1 ASN A 97 -0.688 -2.676 -11.320 1.00 0.00 O ATOM 1573 ND2 ASN A 97 -1.653 -1.719 -9.532 1.00 0.00 N ATOM 0 H ASN A 97 0.822 -1.386 -7.199 1.00 0.00 H new ATOM 0 HA ASN A 97 0.497 -3.707 -8.644 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.730 -0.837 -9.127 1.00 0.00 H new ATOM 0 HB3 ASN A 97 1.506 -1.729 -10.421 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.592 -1.893 -9.890 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.528 -1.249 -8.636 1.00 0.00 H new ATOM 1580 N GLU A 98 3.580 -2.547 -9.023 1.00 0.00 N ATOM 1581 CA GLU A 98 4.939 -2.946 -9.386 1.00 0.00 C ATOM 1582 C GLU A 98 5.529 -3.916 -8.364 1.00 0.00 C ATOM 1583 O GLU A 98 6.538 -4.570 -8.629 1.00 0.00 O ATOM 1584 CB GLU A 98 5.842 -1.718 -9.507 1.00 0.00 C ATOM 1585 CG GLU A 98 6.994 -1.902 -10.480 1.00 0.00 C ATOM 1586 CD GLU A 98 6.827 -1.086 -11.746 1.00 0.00 C ATOM 1587 OE1 GLU A 98 5.678 -0.948 -12.217 1.00 0.00 O ATOM 1588 OE2 GLU A 98 7.844 -0.582 -12.267 1.00 0.00 O ATOM 0 H GLU A 98 3.479 -1.561 -8.784 1.00 0.00 H new ATOM 0 HA GLU A 98 4.885 -3.453 -10.349 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.241 -0.866 -9.825 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.244 -1.475 -8.523 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.926 -1.619 -9.991 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.079 -2.957 -10.741 1.00 0.00 H new ATOM 1595 N LEU A 99 4.906 -3.997 -7.193 1.00 0.00 N ATOM 1596 CA LEU A 99 5.383 -4.877 -6.134 1.00 0.00 C ATOM 1597 C LEU A 99 4.864 -6.302 -6.312 1.00 0.00 C ATOM 1598 O LEU A 99 5.644 -7.249 -6.405 1.00 0.00 O ATOM 1599 CB LEU A 99 4.949 -4.336 -4.772 1.00 0.00 C ATOM 1600 CG LEU A 99 5.867 -4.705 -3.607 1.00 0.00 C ATOM 1601 CD1 LEU A 99 6.131 -3.490 -2.730 1.00 0.00 C ATOM 1602 CD2 LEU A 99 5.261 -5.832 -2.786 1.00 0.00 C ATOM 0 H LEU A 99 4.070 -3.464 -6.954 1.00 0.00 H new ATOM 0 HA LEU A 99 6.471 -4.905 -6.189 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.884 -3.250 -4.834 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.946 -4.704 -4.555 1.00 0.00 H new ATOM 0 HG LEU A 99 6.818 -5.049 -4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.786 -3.772 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.609 -2.710 -3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.187 -3.117 -2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.929 -6.081 -1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.297 -5.515 -2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.123 -6.709 -3.418 1.00 0.00 H new ATOM 1614 N TYR A 100 3.544 -6.445 -6.342 1.00 0.00 N ATOM 1615 CA TYR A 100 2.918 -7.754 -6.490 1.00 0.00 C ATOM 1616 C TYR A 100 3.109 -8.327 -7.895 1.00 0.00 C ATOM 1617 O TYR A 100 2.866 -9.511 -8.123 1.00 0.00 O ATOM 1618 CB TYR A 100 1.426 -7.664 -6.161 1.00 0.00 C ATOM 1619 CG TYR A 100 1.135 -7.108 -4.781 1.00 0.00 C ATOM 1620 CD1 TYR A 100 2.076 -7.195 -3.760 1.00 0.00 C ATOM 1621 CD2 TYR A 100 -0.081 -6.498 -4.501 1.00 0.00 C ATOM 1622 CE1 TYR A 100 1.811 -6.689 -2.502 1.00 0.00 C ATOM 1623 CE2 TYR A 100 -0.352 -5.989 -3.244 1.00 0.00 C ATOM 1624 CZ TYR A 100 0.596 -6.088 -2.249 1.00 0.00 C ATOM 1625 OH TYR A 100 0.330 -5.581 -0.997 1.00 0.00 O ATOM 0 H TYR A 100 2.886 -5.670 -6.266 1.00 0.00 H new ATOM 0 HA TYR A 100 3.407 -8.431 -5.789 1.00 0.00 H new ATOM 0 HB2 TYR A 100 0.937 -7.036 -6.906 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.985 -8.658 -6.242 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.029 -7.665 -3.954 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -0.827 -6.420 -5.278 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.552 -6.764 -1.720 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.302 -5.516 -3.043 1.00 0.00 H new ATOM 0 HH TYR A 100 -0.569 -5.190 -0.986 1.00 0.00 H new ATOM 1635 N ASN A 101 3.542 -7.491 -8.836 1.00 0.00 N ATOM 1636 CA ASN A 101 3.755 -7.942 -10.208 1.00 0.00 C ATOM 1637 C ASN A 101 5.218 -8.311 -10.445 1.00 0.00 C ATOM 1638 O ASN A 101 5.802 -7.946 -11.465 1.00 0.00 O ATOM 1639 CB ASN A 101 3.310 -6.862 -11.202 1.00 0.00 C ATOM 1640 CG ASN A 101 4.266 -5.685 -11.260 1.00 0.00 C ATOM 1641 OD1 ASN A 101 5.225 -5.609 -10.493 1.00 0.00 O ATOM 1642 ND2 ASN A 101 4.006 -4.757 -12.175 1.00 0.00 N ATOM 0 H ASN A 101 3.751 -6.506 -8.675 1.00 0.00 H new ATOM 0 HA ASN A 101 3.151 -8.835 -10.366 1.00 0.00 H new ATOM 0 HB2 ASN A 101 3.223 -7.303 -12.195 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.318 -6.505 -10.924 1.00 0.00 H new ATOM 0 HD21 ASN A 101 4.613 -3.942 -12.261 1.00 0.00 H new ATOM 0 HD22 ASN A 101 3.200 -4.860 -12.791 1.00 0.00 H new ATOM 1649 N ASP A 102 5.805 -9.033 -9.497 1.00 0.00 N ATOM 1650 CA ASP A 102 7.199 -9.445 -9.607 1.00 0.00 C ATOM 1651 C ASP A 102 7.307 -10.922 -9.972 1.00 0.00 C ATOM 1652 O ASP A 102 6.800 -11.787 -9.257 1.00 0.00 O ATOM 1653 CB ASP A 102 7.937 -9.178 -8.294 1.00 0.00 C ATOM 1654 CG ASP A 102 8.491 -7.768 -8.220 1.00 0.00 C ATOM 1655 OD1 ASP A 102 8.929 -7.246 -9.267 1.00 0.00 O ATOM 1656 OD2 ASP A 102 8.487 -7.187 -7.115 1.00 0.00 O ATOM 0 H ASP A 102 5.338 -9.345 -8.645 1.00 0.00 H new ATOM 0 HA ASP A 102 7.660 -8.860 -10.402 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.257 -9.343 -7.458 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.753 -9.892 -8.187 1.00 0.00 H new ATOM 1661 N ARG A 103 7.973 -11.204 -11.088 1.00 0.00 N ATOM 1662 CA ARG A 103 8.150 -12.577 -11.546 1.00 0.00 C ATOM 1663 C ARG A 103 9.602 -13.017 -11.389 1.00 0.00 C ATOM 1664 O ARG A 103 9.881 -14.188 -11.128 1.00 0.00 O ATOM 1665 CB ARG A 103 7.716 -12.711 -13.008 1.00 0.00 C ATOM 1666 CG ARG A 103 8.450 -11.773 -13.952 1.00 0.00 C ATOM 1667 CD ARG A 103 8.695 -12.424 -15.304 1.00 0.00 C ATOM 1668 NE ARG A 103 9.517 -13.627 -15.190 1.00 0.00 N ATOM 1669 CZ ARG A 103 9.578 -14.574 -16.123 1.00 0.00 C ATOM 1670 NH1 ARG A 103 8.870 -14.464 -17.240 1.00 0.00 N ATOM 1671 NH2 ARG A 103 10.351 -15.636 -15.939 1.00 0.00 N ATOM 0 H ARG A 103 8.399 -10.500 -11.691 1.00 0.00 H new ATOM 0 HA ARG A 103 7.524 -13.224 -10.931 1.00 0.00 H new ATOM 0 HB2 ARG A 103 7.878 -13.739 -13.333 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.645 -12.519 -13.079 1.00 0.00 H new ATOM 0 HG2 ARG A 103 7.868 -10.861 -14.086 1.00 0.00 H new ATOM 0 HG3 ARG A 103 9.402 -11.481 -13.509 1.00 0.00 H new ATOM 0 HD2 ARG A 103 7.740 -12.680 -15.762 1.00 0.00 H new ATOM 0 HD3 ARG A 103 9.186 -11.711 -15.967 1.00 0.00 H new ATOM 0 HE ARG A 103 10.077 -13.748 -14.346 1.00 0.00 H new ATOM 0 HH11 ARG A 103 8.274 -13.650 -17.388 1.00 0.00 H new ATOM 0 HH12 ARG A 103 8.922 -15.194 -17.951 1.00 0.00 H new ATOM 0 HH21 ARG A 103 10.898 -15.726 -15.083 1.00 0.00 H new ATOM 0 HH22 ARG A 103 10.398 -16.362 -16.654 1.00 0.00 H new ATOM 1685 N PHE A 104 10.523 -12.071 -11.544 1.00 0.00 N ATOM 1686 CA PHE A 104 11.947 -12.359 -11.414 1.00 0.00 C ATOM 1687 C PHE A 104 12.397 -12.193 -9.966 1.00 0.00 C ATOM 1688 O PHE A 104 13.100 -13.043 -9.422 1.00 0.00 O ATOM 1689 CB PHE A 104 12.762 -11.437 -12.323 1.00 0.00 C ATOM 1690 CG PHE A 104 12.477 -9.977 -12.109 1.00 0.00 C ATOM 1691 CD1 PHE A 104 13.178 -9.253 -11.159 1.00 0.00 C ATOM 1692 CD2 PHE A 104 11.508 -9.329 -12.859 1.00 0.00 C ATOM 1693 CE1 PHE A 104 12.919 -7.910 -10.959 1.00 0.00 C ATOM 1694 CE2 PHE A 104 11.243 -7.987 -12.664 1.00 0.00 C ATOM 1695 CZ PHE A 104 11.951 -7.277 -11.713 1.00 0.00 C ATOM 0 H PHE A 104 10.308 -11.098 -11.760 1.00 0.00 H new ATOM 0 HA PHE A 104 12.116 -13.392 -11.716 1.00 0.00 H new ATOM 0 HB2 PHE A 104 13.823 -11.620 -12.155 1.00 0.00 H new ATOM 0 HB3 PHE A 104 12.556 -11.690 -13.363 1.00 0.00 H new ATOM 0 HD1 PHE A 104 13.936 -9.744 -10.567 1.00 0.00 H new ATOM 0 HD2 PHE A 104 10.954 -9.880 -13.605 1.00 0.00 H new ATOM 0 HE1 PHE A 104 13.473 -7.357 -10.215 1.00 0.00 H new ATOM 0 HE2 PHE A 104 10.484 -7.494 -13.254 1.00 0.00 H new ATOM 0 HZ PHE A 104 11.747 -6.228 -11.560 1.00 0.00 H new ATOM 1705 N ASP A 105 11.977 -11.095 -9.350 1.00 0.00 N ATOM 1706 CA ASP A 105 12.324 -10.811 -7.963 1.00 0.00 C ATOM 1707 C ASP A 105 11.111 -10.290 -7.206 1.00 0.00 C ATOM 1708 O ASP A 105 10.711 -9.137 -7.368 1.00 0.00 O ATOM 1709 CB ASP A 105 13.460 -9.791 -7.892 1.00 0.00 C ATOM 1710 CG ASP A 105 14.806 -10.397 -8.235 1.00 0.00 C ATOM 1711 OD1 ASP A 105 14.861 -11.237 -9.158 1.00 0.00 O ATOM 1712 OD2 ASP A 105 15.806 -10.031 -7.582 1.00 0.00 O ATOM 0 H ASP A 105 11.393 -10.384 -9.791 1.00 0.00 H new ATOM 0 HA ASP A 105 12.657 -11.739 -7.499 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.250 -8.970 -8.577 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.501 -9.367 -6.889 1.00 0.00 H new ATOM 1717 N SER A 106 10.529 -11.149 -6.381 1.00 0.00 N ATOM 1718 CA SER A 106 9.357 -10.781 -5.597 1.00 0.00 C ATOM 1719 C SER A 106 9.698 -10.698 -4.116 1.00 0.00 C ATOM 1720 O SER A 106 8.847 -10.939 -3.260 1.00 0.00 O ATOM 1721 CB SER A 106 8.232 -11.794 -5.818 1.00 0.00 C ATOM 1722 OG SER A 106 8.720 -13.123 -5.751 1.00 0.00 O ATOM 0 H SER A 106 10.849 -12.107 -6.237 1.00 0.00 H new ATOM 0 HA SER A 106 9.022 -9.798 -5.929 1.00 0.00 H new ATOM 0 HB2 SER A 106 7.456 -11.650 -5.066 1.00 0.00 H new ATOM 0 HB3 SER A 106 7.770 -11.622 -6.790 1.00 0.00 H new ATOM 0 HG SER A 106 7.981 -13.750 -5.894 1.00 0.00 H new ATOM 1728 N ARG A 107 10.946 -10.352 -3.816 1.00 0.00 N ATOM 1729 CA ARG A 107 11.391 -10.232 -2.432 1.00 0.00 C ATOM 1730 C ARG A 107 10.531 -9.224 -1.677 1.00 0.00 C ATOM 1731 O ARG A 107 10.312 -9.354 -0.473 1.00 0.00 O ATOM 1732 CB ARG A 107 12.859 -9.804 -2.377 1.00 0.00 C ATOM 1733 CG ARG A 107 13.769 -10.625 -3.275 1.00 0.00 C ATOM 1734 CD ARG A 107 14.810 -9.752 -3.959 1.00 0.00 C ATOM 1735 NE ARG A 107 14.202 -8.633 -4.675 1.00 0.00 N ATOM 1736 CZ ARG A 107 14.860 -7.532 -5.026 1.00 0.00 C ATOM 1737 NH1 ARG A 107 16.149 -7.398 -4.734 1.00 0.00 N ATOM 1738 NH2 ARG A 107 14.230 -6.561 -5.675 1.00 0.00 N ATOM 0 H ARG A 107 11.665 -10.150 -4.511 1.00 0.00 H new ATOM 0 HA ARG A 107 11.288 -11.208 -1.957 1.00 0.00 H new ATOM 0 HB2 ARG A 107 12.933 -8.754 -2.662 1.00 0.00 H new ATOM 0 HB3 ARG A 107 13.212 -9.881 -1.349 1.00 0.00 H new ATOM 0 HG2 ARG A 107 14.268 -11.394 -2.685 1.00 0.00 H new ATOM 0 HG3 ARG A 107 13.172 -11.139 -4.028 1.00 0.00 H new ATOM 0 HD2 ARG A 107 15.508 -9.369 -3.214 1.00 0.00 H new ATOM 0 HD3 ARG A 107 15.389 -10.357 -4.657 1.00 0.00 H new ATOM 0 HE ARG A 107 13.214 -8.700 -4.920 1.00 0.00 H new ATOM 0 HH11 ARG A 107 16.640 -8.142 -4.238 1.00 0.00 H new ATOM 0 HH12 ARG A 107 16.648 -6.551 -5.006 1.00 0.00 H new ATOM 0 HH21 ARG A 107 13.241 -6.659 -5.905 1.00 0.00 H new ATOM 0 HH22 ARG A 107 14.735 -5.716 -5.944 1.00 0.00 H new ATOM 1752 N TRP A 108 10.049 -8.218 -2.399 1.00 0.00 N ATOM 1753 CA TRP A 108 9.212 -7.181 -1.808 1.00 0.00 C ATOM 1754 C TRP A 108 7.912 -7.767 -1.265 1.00 0.00 C ATOM 1755 O TRP A 108 7.576 -7.576 -0.096 1.00 0.00 O ATOM 1756 CB TRP A 108 8.907 -6.097 -2.844 1.00 0.00 C ATOM 1757 CG TRP A 108 10.138 -5.490 -3.442 1.00 0.00 C ATOM 1758 CD1 TRP A 108 10.614 -5.675 -4.709 1.00 0.00 C ATOM 1759 CD2 TRP A 108 11.053 -4.600 -2.795 1.00 0.00 C ATOM 1760 NE1 TRP A 108 11.771 -4.955 -4.888 1.00 0.00 N ATOM 1761 CE2 TRP A 108 12.061 -4.286 -3.727 1.00 0.00 C ATOM 1762 CE3 TRP A 108 11.118 -4.038 -1.519 1.00 0.00 C ATOM 1763 CZ2 TRP A 108 13.120 -3.435 -3.420 1.00 0.00 C ATOM 1764 CZ3 TRP A 108 12.169 -3.193 -1.215 1.00 0.00 C ATOM 1765 CH2 TRP A 108 13.158 -2.899 -2.162 1.00 0.00 C ATOM 0 H TRP A 108 10.224 -8.099 -3.397 1.00 0.00 H new ATOM 0 HA TRP A 108 9.759 -6.738 -0.976 1.00 0.00 H new ATOM 0 HB2 TRP A 108 8.297 -6.525 -3.640 1.00 0.00 H new ATOM 0 HB3 TRP A 108 8.314 -5.312 -2.375 1.00 0.00 H new ATOM 0 HD1 TRP A 108 10.149 -6.296 -5.460 1.00 0.00 H new ATOM 0 HE1 TRP A 108 12.324 -4.924 -5.745 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.360 -4.259 -0.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 13.884 -3.207 -4.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 12.228 -2.752 -0.231 1.00 0.00 H new ATOM 0 HH2 TRP A 108 13.967 -2.236 -1.894 1.00 0.00 H new ATOM 1776 N ARG A 109 7.183 -8.478 -2.120 1.00 0.00 N ATOM 1777 CA ARG A 109 5.917 -9.088 -1.723 1.00 0.00 C ATOM 1778 C ARG A 109 6.147 -10.403 -0.982 1.00 0.00 C ATOM 1779 O ARG A 109 5.312 -10.828 -0.184 1.00 0.00 O ATOM 1780 CB ARG A 109 5.030 -9.325 -2.948 1.00 0.00 C ATOM 1781 CG ARG A 109 5.659 -10.227 -3.998 1.00 0.00 C ATOM 1782 CD ARG A 109 5.347 -11.692 -3.739 1.00 0.00 C ATOM 1783 NE ARG A 109 3.925 -11.916 -3.493 1.00 0.00 N ATOM 1784 CZ ARG A 109 3.006 -11.971 -4.455 1.00 0.00 C ATOM 1785 NH1 ARG A 109 3.355 -11.816 -5.726 1.00 0.00 N ATOM 1786 NH2 ARG A 109 1.733 -12.181 -4.145 1.00 0.00 N ATOM 0 H ARG A 109 7.446 -8.646 -3.091 1.00 0.00 H new ATOM 0 HA ARG A 109 5.412 -8.398 -1.047 1.00 0.00 H new ATOM 0 HB2 ARG A 109 4.087 -9.765 -2.622 1.00 0.00 H new ATOM 0 HB3 ARG A 109 4.792 -8.364 -3.404 1.00 0.00 H new ATOM 0 HG2 ARG A 109 5.293 -9.946 -4.986 1.00 0.00 H new ATOM 0 HG3 ARG A 109 6.739 -10.080 -4.004 1.00 0.00 H new ATOM 0 HD2 ARG A 109 5.664 -12.287 -4.596 1.00 0.00 H new ATOM 0 HD3 ARG A 109 5.922 -12.038 -2.880 1.00 0.00 H new ATOM 0 HE ARG A 109 3.618 -12.037 -2.528 1.00 0.00 H new ATOM 0 HH11 ARG A 109 4.332 -11.654 -5.970 1.00 0.00 H new ATOM 0 HH12 ARG A 109 2.646 -11.859 -6.458 1.00 0.00 H new ATOM 0 HH21 ARG A 109 1.459 -12.300 -3.170 1.00 0.00 H new ATOM 0 HH22 ARG A 109 1.029 -12.223 -4.882 1.00 0.00 H new ATOM 1800 N ASP A 110 7.280 -11.042 -1.251 1.00 0.00 N ATOM 1801 CA ASP A 110 7.614 -12.308 -0.608 1.00 0.00 C ATOM 1802 C ASP A 110 7.813 -12.123 0.892 1.00 0.00 C ATOM 1803 O ASP A 110 7.511 -13.015 1.684 1.00 0.00 O ATOM 1804 CB ASP A 110 8.878 -12.904 -1.232 1.00 0.00 C ATOM 1805 CG ASP A 110 9.188 -14.288 -0.696 1.00 0.00 C ATOM 1806 OD1 ASP A 110 8.238 -15.077 -0.501 1.00 0.00 O ATOM 1807 OD2 ASP A 110 10.380 -14.585 -0.473 1.00 0.00 O ATOM 0 H ASP A 110 7.982 -10.705 -1.909 1.00 0.00 H new ATOM 0 HA ASP A 110 6.782 -12.994 -0.763 1.00 0.00 H new ATOM 0 HB2 ASP A 110 8.757 -12.955 -2.314 1.00 0.00 H new ATOM 0 HB3 ASP A 110 9.723 -12.244 -1.037 1.00 0.00 H new ATOM 1812 N THR A 111 8.324 -10.956 1.278 1.00 0.00 N ATOM 1813 CA THR A 111 8.566 -10.647 2.681 1.00 0.00 C ATOM 1814 C THR A 111 7.333 -10.940 3.532 1.00 0.00 C ATOM 1815 O THR A 111 6.211 -10.972 3.026 1.00 0.00 O ATOM 1816 CB THR A 111 8.965 -9.179 2.837 1.00 0.00 C ATOM 1817 OG1 THR A 111 9.146 -8.568 1.571 1.00 0.00 O ATOM 1818 CG2 THR A 111 10.243 -8.991 3.620 1.00 0.00 C ATOM 0 H THR A 111 8.579 -10.207 0.634 1.00 0.00 H new ATOM 0 HA THR A 111 9.381 -11.282 3.028 1.00 0.00 H new ATOM 0 HB THR A 111 8.146 -8.714 3.385 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.274 -8.314 1.203 1.00 0.00 H new ATOM 0 HG21 THR A 111 10.471 -7.928 3.695 1.00 0.00 H new ATOM 0 HG22 THR A 111 10.122 -9.407 4.620 1.00 0.00 H new ATOM 0 HG23 THR A 111 11.060 -9.502 3.111 1.00 0.00 H new ATOM 1826 N LYS A 112 7.550 -11.149 4.826 1.00 0.00 N ATOM 1827 CA LYS A 112 6.458 -11.433 5.748 1.00 0.00 C ATOM 1828 C LYS A 112 5.625 -10.180 5.996 1.00 0.00 C ATOM 1829 O LYS A 112 4.417 -10.260 6.219 1.00 0.00 O ATOM 1830 CB LYS A 112 7.006 -11.968 7.073 1.00 0.00 C ATOM 1831 CG LYS A 112 5.987 -12.763 7.876 1.00 0.00 C ATOM 1832 CD LYS A 112 6.448 -14.193 8.106 1.00 0.00 C ATOM 1833 CE LYS A 112 7.445 -14.279 9.251 1.00 0.00 C ATOM 1834 NZ LYS A 112 7.773 -15.690 9.598 1.00 0.00 N ATOM 0 H LYS A 112 8.473 -11.127 5.260 1.00 0.00 H new ATOM 0 HA LYS A 112 5.819 -12.192 5.297 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.870 -12.601 6.870 1.00 0.00 H new ATOM 0 HB3 LYS A 112 7.358 -11.131 7.676 1.00 0.00 H new ATOM 0 HG2 LYS A 112 5.819 -12.275 8.836 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.032 -12.768 7.350 1.00 0.00 H new ATOM 0 HD2 LYS A 112 5.586 -14.824 8.324 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.904 -14.581 7.195 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.358 -13.751 8.977 1.00 0.00 H new ATOM 0 HE3 LYS A 112 7.036 -13.776 10.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.455 -15.705 10.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 6.906 -16.188 9.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.187 -16.164 8.770 1.00 0.00 H new ATOM 1848 N ILE A 113 6.280 -9.024 5.954 1.00 0.00 N ATOM 1849 CA ILE A 113 5.600 -7.753 6.170 1.00 0.00 C ATOM 1850 C ILE A 113 4.593 -7.478 5.059 1.00 0.00 C ATOM 1851 O ILE A 113 3.509 -6.949 5.305 1.00 0.00 O ATOM 1852 CB ILE A 113 6.604 -6.583 6.246 1.00 0.00 C ATOM 1853 CG1 ILE A 113 7.366 -6.444 4.928 1.00 0.00 C ATOM 1854 CG2 ILE A 113 7.576 -6.788 7.397 1.00 0.00 C ATOM 1855 CD1 ILE A 113 8.363 -5.306 4.927 1.00 0.00 C ATOM 0 H ILE A 113 7.280 -8.942 5.772 1.00 0.00 H new ATOM 0 HA ILE A 113 5.075 -7.829 7.122 1.00 0.00 H new ATOM 0 HB ILE A 113 6.045 -5.664 6.423 1.00 0.00 H new ATOM 0 HG12 ILE A 113 7.890 -7.377 4.720 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.652 -6.292 4.118 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.276 -5.953 7.435 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.023 -6.841 8.335 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.126 -7.717 7.247 1.00 0.00 H new ATOM 0 HD11 ILE A 113 8.868 -5.265 3.962 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.842 -4.365 5.104 1.00 0.00 H new ATOM 0 HD13 ILE A 113 9.099 -5.466 5.715 1.00 0.00 H new ATOM 1867 N ALA A 114 4.960 -7.841 3.834 1.00 0.00 N ATOM 1868 CA ALA A 114 4.090 -7.636 2.683 1.00 0.00 C ATOM 1869 C ALA A 114 2.868 -8.547 2.753 1.00 0.00 C ATOM 1870 O ALA A 114 1.754 -8.133 2.430 1.00 0.00 O ATOM 1871 CB ALA A 114 4.858 -7.876 1.392 1.00 0.00 C ATOM 0 H ALA A 114 5.855 -8.279 3.614 1.00 0.00 H new ATOM 0 HA ALA A 114 3.743 -6.603 2.698 1.00 0.00 H new ATOM 0 HB1 ALA A 114 4.196 -7.719 0.540 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.696 -7.182 1.333 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.233 -8.899 1.377 1.00 0.00 H new ATOM 1877 N GLN A 115 3.088 -9.786 3.177 1.00 0.00 N ATOM 1878 CA GLN A 115 2.006 -10.758 3.291 1.00 0.00 C ATOM 1879 C GLN A 115 1.022 -10.352 4.383 1.00 0.00 C ATOM 1880 O GLN A 115 -0.175 -10.622 4.287 1.00 0.00 O ATOM 1881 CB GLN A 115 2.569 -12.149 3.586 1.00 0.00 C ATOM 1882 CG GLN A 115 3.296 -12.773 2.406 1.00 0.00 C ATOM 1883 CD GLN A 115 2.387 -12.999 1.215 1.00 0.00 C ATOM 1884 OE1 GLN A 115 1.239 -13.417 1.365 1.00 0.00 O ATOM 1885 NE2 GLN A 115 2.897 -12.725 0.019 1.00 0.00 N ATOM 0 H GLN A 115 4.005 -10.142 3.447 1.00 0.00 H new ATOM 0 HA GLN A 115 1.474 -10.784 2.340 1.00 0.00 H new ATOM 0 HB2 GLN A 115 3.255 -12.083 4.431 1.00 0.00 H new ATOM 0 HB3 GLN A 115 1.753 -12.806 3.888 1.00 0.00 H new ATOM 0 HG2 GLN A 115 4.122 -12.127 2.110 1.00 0.00 H new ATOM 0 HG3 GLN A 115 3.730 -13.725 2.713 1.00 0.00 H new ATOM 0 HE21 GLN A 115 3.854 -12.380 -0.061 1.00 0.00 H new ATOM 0 HE22 GLN A 115 2.332 -12.859 -0.819 1.00 0.00 H new ATOM 1894 N ASP A 116 1.536 -9.700 5.421 1.00 0.00 N ATOM 1895 CA ASP A 116 0.702 -9.254 6.532 1.00 0.00 C ATOM 1896 C ASP A 116 0.045 -7.912 6.220 1.00 0.00 C ATOM 1897 O ASP A 116 -0.966 -7.549 6.821 1.00 0.00 O ATOM 1898 CB ASP A 116 1.537 -9.140 7.809 1.00 0.00 C ATOM 1899 CG ASP A 116 1.543 -10.425 8.613 1.00 0.00 C ATOM 1900 OD1 ASP A 116 0.555 -11.184 8.526 1.00 0.00 O ATOM 1901 OD2 ASP A 116 2.536 -10.673 9.328 1.00 0.00 O ATOM 0 H ASP A 116 2.525 -9.469 5.516 1.00 0.00 H new ATOM 0 HA ASP A 116 -0.083 -9.995 6.682 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.561 -8.874 7.547 1.00 0.00 H new ATOM 0 HB3 ASP A 116 1.145 -8.331 8.425 1.00 0.00 H new ATOM 1906 N PHE A 117 0.628 -7.175 5.276 1.00 0.00 N ATOM 1907 CA PHE A 117 0.103 -5.871 4.883 1.00 0.00 C ATOM 1908 C PHE A 117 -1.386 -5.948 4.558 1.00 0.00 C ATOM 1909 O PHE A 117 -2.175 -5.125 5.021 1.00 0.00 O ATOM 1910 CB PHE A 117 0.872 -5.339 3.674 1.00 0.00 C ATOM 1911 CG PHE A 117 0.699 -3.864 3.456 1.00 0.00 C ATOM 1912 CD1 PHE A 117 1.060 -2.959 4.441 1.00 0.00 C ATOM 1913 CD2 PHE A 117 0.176 -3.383 2.267 1.00 0.00 C ATOM 1914 CE1 PHE A 117 0.903 -1.601 4.244 1.00 0.00 C ATOM 1915 CE2 PHE A 117 0.016 -2.026 2.064 1.00 0.00 C ATOM 1916 CZ PHE A 117 0.380 -1.134 3.054 1.00 0.00 C ATOM 0 H PHE A 117 1.466 -7.461 4.769 1.00 0.00 H new ATOM 0 HA PHE A 117 0.232 -5.189 5.724 1.00 0.00 H new ATOM 0 HB2 PHE A 117 1.932 -5.557 3.803 1.00 0.00 H new ATOM 0 HB3 PHE A 117 0.543 -5.871 2.781 1.00 0.00 H new ATOM 0 HD1 PHE A 117 1.469 -3.319 5.373 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -0.110 -4.077 1.490 1.00 0.00 H new ATOM 0 HE1 PHE A 117 1.189 -0.905 5.019 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -0.393 -1.663 1.133 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.256 -0.073 2.898 1.00 0.00 H new ATOM 1926 N LEU A 118 -1.763 -6.939 3.757 1.00 0.00 N ATOM 1927 CA LEU A 118 -3.158 -7.118 3.370 1.00 0.00 C ATOM 1928 C LEU A 118 -3.777 -8.319 4.076 1.00 0.00 C ATOM 1929 O LEU A 118 -4.746 -8.903 3.591 1.00 0.00 O ATOM 1930 CB LEU A 118 -3.268 -7.290 1.851 1.00 0.00 C ATOM 1931 CG LEU A 118 -2.864 -6.069 1.019 1.00 0.00 C ATOM 1932 CD1 LEU A 118 -3.434 -6.173 -0.387 1.00 0.00 C ATOM 1933 CD2 LEU A 118 -3.329 -4.780 1.684 1.00 0.00 C ATOM 0 H LEU A 118 -1.123 -7.629 3.364 1.00 0.00 H new ATOM 0 HA LEU A 118 -3.707 -6.226 3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.646 -8.134 1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -4.298 -7.551 1.606 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.776 -6.047 0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -3.138 -5.298 -0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -3.052 -7.073 -0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -4.522 -6.223 -0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -3.030 -3.928 1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.414 -4.793 1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -2.876 -4.696 2.672 1.00 0.00 H new ATOM 1945 N GLN A 119 -3.216 -8.685 5.226 1.00 0.00 N ATOM 1946 CA GLN A 119 -3.720 -9.815 5.996 1.00 0.00 C ATOM 1947 C GLN A 119 -3.747 -11.083 5.150 1.00 0.00 C ATOM 1948 O GLN A 119 -4.720 -11.837 5.172 1.00 0.00 O ATOM 1949 CB GLN A 119 -5.121 -9.511 6.530 1.00 0.00 C ATOM 1950 CG GLN A 119 -5.242 -8.139 7.173 1.00 0.00 C ATOM 1951 CD GLN A 119 -6.671 -7.793 7.544 1.00 0.00 C ATOM 1952 OE1 GLN A 119 -6.960 -7.441 8.687 1.00 0.00 O ATOM 1953 NE2 GLN A 119 -7.574 -7.891 6.575 1.00 0.00 N ATOM 0 H GLN A 119 -2.413 -8.215 5.643 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.047 -9.978 6.837 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -5.837 -9.584 5.711 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -5.395 -10.271 7.261 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -4.620 -8.105 8.067 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -4.856 -7.385 6.487 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -7.290 -8.187 5.641 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -8.552 -7.670 6.765 1.00 0.00 H new ATOM 1962 N LEU A 120 -2.672 -11.312 4.402 1.00 0.00 N ATOM 1963 CA LEU A 120 -2.571 -12.488 3.546 1.00 0.00 C ATOM 1964 C LEU A 120 -1.893 -13.641 4.282 1.00 0.00 C ATOM 1965 O LEU A 120 -1.102 -14.383 3.701 1.00 0.00 O ATOM 1966 CB LEU A 120 -1.793 -12.152 2.271 1.00 0.00 C ATOM 1967 CG LEU A 120 -2.005 -10.735 1.732 1.00 0.00 C ATOM 1968 CD1 LEU A 120 -0.814 -10.295 0.893 1.00 0.00 C ATOM 1969 CD2 LEU A 120 -3.290 -10.663 0.921 1.00 0.00 C ATOM 0 H LEU A 120 -1.858 -10.698 4.372 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.581 -12.798 3.276 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -0.730 -12.294 2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -2.073 -12.864 1.495 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.093 -10.054 2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -0.985 -9.285 0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 120 0.087 -10.307 1.506 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.690 -10.977 0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.426 -9.649 0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -3.230 -11.356 0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.135 -10.932 1.554 1.00 0.00 H new