USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 GLN : amide:sc= -1.89 K(o=-1.9,f=-0.086) USER MOD Set 1.2: A 56 THR OG1 : rot 99:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 179:sc= -0.6 (180deg=-0.638) USER MOD Single : A 14 ASN : amide:sc= -0.715 X(o=-0.72,f=-0.44) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 CYS SG : rot 180:sc= -1.89 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 30:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 31 HIS : no HD1:sc= -0.167 X(o=-0.17,f=-0.31) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 162:sc= 0 (180deg=-0.454) USER MOD Single : A 42 GLN : amide:sc= -5.47! C(o=-5.5!,f=-2.3!) USER MOD Single : A 45 SER OG : rot -103:sc= 1.3 USER MOD Single : A 47 HIS : no HE2:sc= 0.112 K(o=0.11,f=-1.7) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -0.617 K(o=-0.62,f=-3.8!) USER MOD Single : A 64 SER OG : rot -100:sc= -0.117 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0.101 K(o=0.1,f=-2.7!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -0.889 USER MOD Single : A 89 ASN : amide:sc= -1.03 K(o=-1,f=-2.2) USER MOD Single : A 104 CYS SG : rot -26:sc=0.000385 USER MOD Single : A 106 MET CE :methyl -109:sc= -0.126 (180deg=-0.851) USER MOD Single : A 114 ASN : amide:sc= -0.014 X(o=-0.014,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 134 N LYS A 11 -9.352 -2.073 6.454 1.00 0.00 N ATOM 135 CA LYS A 11 -9.098 -0.876 5.659 1.00 0.00 C ATOM 136 C LYS A 11 -8.518 -1.266 4.307 1.00 0.00 C ATOM 137 O LYS A 11 -9.120 -1.001 3.267 1.00 0.00 O ATOM 138 CB LYS A 11 -8.140 0.057 6.397 1.00 0.00 C ATOM 139 CG LYS A 11 -8.542 0.323 7.838 1.00 0.00 C ATOM 140 CD LYS A 11 -7.443 -0.082 8.807 1.00 0.00 C ATOM 141 CE LYS A 11 -7.847 0.182 10.249 1.00 0.00 C ATOM 142 NZ LYS A 11 -6.663 0.310 11.143 1.00 0.00 N ATOM 0 HA LYS A 11 -10.040 -0.350 5.501 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.140 -0.376 6.381 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.085 1.005 5.862 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.768 1.382 7.964 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.454 -0.227 8.070 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.216 -1.140 8.680 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.532 0.470 8.576 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.440 1.095 10.299 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.483 -0.630 10.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.981 0.506 12.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.120 -0.577 11.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.060 1.090 10.812 1.00 0.00 H new ATOM 155 N TRP A 12 -7.352 -1.909 4.341 1.00 0.00 N ATOM 156 CA TRP A 12 -6.670 -2.371 3.129 1.00 0.00 C ATOM 157 C TRP A 12 -7.695 -2.804 2.075 1.00 0.00 C ATOM 158 O TRP A 12 -8.641 -3.528 2.385 1.00 0.00 O ATOM 159 CB TRP A 12 -5.722 -3.534 3.465 1.00 0.00 C ATOM 160 CG TRP A 12 -4.922 -3.337 4.730 1.00 0.00 C ATOM 161 CD1 TRP A 12 -4.785 -2.182 5.450 1.00 0.00 C ATOM 162 CD2 TRP A 12 -4.147 -4.328 5.421 1.00 0.00 C ATOM 163 NE1 TRP A 12 -3.980 -2.396 6.543 1.00 0.00 N ATOM 164 CE2 TRP A 12 -3.574 -3.702 6.545 1.00 0.00 C ATOM 165 CE3 TRP A 12 -3.880 -5.682 5.199 1.00 0.00 C ATOM 166 CZ2 TRP A 12 -2.756 -4.384 7.442 1.00 0.00 C ATOM 167 CZ3 TRP A 12 -3.068 -6.357 6.089 1.00 0.00 C ATOM 168 CH2 TRP A 12 -2.513 -5.708 7.199 1.00 0.00 C ATOM 0 H TRP A 12 -6.854 -2.125 5.204 1.00 0.00 H new ATOM 0 HA TRP A 12 -6.082 -1.549 2.722 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.307 -4.449 3.558 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.034 -3.679 2.632 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.244 -1.238 5.196 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.727 -1.695 7.239 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -4.302 -6.192 4.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -2.329 -3.885 8.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.857 -7.404 5.926 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.881 -6.264 7.876 1.00 0.00 H new ATOM 179 N ILE A 13 -7.527 -2.329 0.838 1.00 0.00 N ATOM 180 CA ILE A 13 -8.474 -2.648 -0.234 1.00 0.00 C ATOM 181 C ILE A 13 -7.787 -3.143 -1.509 1.00 0.00 C ATOM 182 O ILE A 13 -6.906 -2.481 -2.049 1.00 0.00 O ATOM 183 CB ILE A 13 -9.335 -1.418 -0.591 1.00 0.00 C ATOM 184 CG1 ILE A 13 -9.088 -0.277 0.412 1.00 0.00 C ATOM 185 CG2 ILE A 13 -10.802 -1.808 -0.635 1.00 0.00 C ATOM 186 CD1 ILE A 13 -10.337 0.481 0.824 1.00 0.00 C ATOM 0 H ILE A 13 -6.753 -1.728 0.556 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.099 -3.453 0.153 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.049 -1.057 -1.579 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.618 -0.690 1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.379 0.426 -0.025 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.403 -0.935 -0.888 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.950 -2.581 -1.389 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.107 -2.189 0.340 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -10.070 1.266 1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.798 0.928 -0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.041 -0.206 1.293 1.00 0.00 H new ATOM 198 N ASN A 14 -8.220 -4.306 -1.995 1.00 0.00 N ATOM 199 CA ASN A 14 -7.667 -4.890 -3.216 1.00 0.00 C ATOM 200 C ASN A 14 -8.621 -4.703 -4.393 1.00 0.00 C ATOM 201 O ASN A 14 -9.836 -4.611 -4.210 1.00 0.00 O ATOM 202 CB ASN A 14 -7.375 -6.379 -3.016 1.00 0.00 C ATOM 203 CG ASN A 14 -7.065 -7.089 -4.320 1.00 0.00 C ATOM 204 OD1 ASN A 14 -7.902 -7.813 -4.860 1.00 0.00 O ATOM 205 ND2 ASN A 14 -5.857 -6.887 -4.832 1.00 0.00 N ATOM 0 H ASN A 14 -8.955 -4.864 -1.560 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.734 -4.372 -3.440 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.532 -6.493 -2.335 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.234 -6.854 -2.542 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.591 -7.340 -5.707 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.194 -6.279 -4.351 1.00 0.00 H new ATOM 212 N PHE A 15 -8.066 -4.642 -5.602 1.00 0.00 N ATOM 213 CA PHE A 15 -8.867 -4.460 -6.806 1.00 0.00 C ATOM 214 C PHE A 15 -8.526 -5.523 -7.851 1.00 0.00 C ATOM 215 O PHE A 15 -8.504 -6.716 -7.545 1.00 0.00 O ATOM 216 CB PHE A 15 -8.650 -3.056 -7.378 1.00 0.00 C ATOM 217 CG PHE A 15 -8.510 -1.994 -6.328 1.00 0.00 C ATOM 218 CD1 PHE A 15 -9.626 -1.347 -5.821 1.00 0.00 C ATOM 219 CD2 PHE A 15 -7.260 -1.642 -5.846 1.00 0.00 C ATOM 220 CE1 PHE A 15 -9.497 -0.369 -4.853 1.00 0.00 C ATOM 221 CE2 PHE A 15 -7.124 -0.664 -4.879 1.00 0.00 C ATOM 222 CZ PHE A 15 -8.244 -0.028 -4.382 1.00 0.00 C ATOM 0 H PHE A 15 -7.063 -4.716 -5.772 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.918 -4.571 -6.541 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.755 -3.061 -8.000 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.488 -2.804 -8.028 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.608 -1.610 -6.187 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.381 -2.138 -6.231 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.374 0.128 -4.466 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.143 -0.398 -4.513 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.141 0.736 -3.625 1.00 0.00 H new ATOM 232 N GLN A 16 -8.261 -5.089 -9.085 1.00 0.00 N ATOM 233 CA GLN A 16 -7.922 -6.007 -10.167 1.00 0.00 C ATOM 234 C GLN A 16 -6.835 -6.985 -9.730 1.00 0.00 C ATOM 235 O GLN A 16 -6.956 -8.193 -9.936 1.00 0.00 O ATOM 236 CB GLN A 16 -7.458 -5.229 -11.398 1.00 0.00 C ATOM 237 CG GLN A 16 -8.424 -4.135 -11.825 1.00 0.00 C ATOM 238 CD GLN A 16 -9.707 -4.688 -12.413 1.00 0.00 C ATOM 239 OE1 GLN A 16 -9.688 -5.392 -13.423 1.00 0.00 O ATOM 240 NE2 GLN A 16 -10.832 -4.372 -11.782 1.00 0.00 N ATOM 0 H GLN A 16 -8.275 -4.106 -9.357 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.817 -6.575 -10.421 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.485 -4.783 -11.190 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.320 -5.924 -12.226 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.663 -3.510 -10.965 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.939 -3.493 -12.560 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.802 -3.786 -10.948 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.727 -4.716 -12.131 1.00 0.00 H new ATOM 249 N ARG A 17 -5.777 -6.456 -9.122 1.00 0.00 N ATOM 250 CA ARG A 17 -4.675 -7.288 -8.653 1.00 0.00 C ATOM 251 C ARG A 17 -3.776 -6.524 -7.688 1.00 0.00 C ATOM 252 O ARG A 17 -2.800 -7.066 -7.172 1.00 0.00 O ATOM 253 CB ARG A 17 -3.854 -7.806 -9.836 1.00 0.00 C ATOM 254 CG ARG A 17 -3.553 -6.743 -10.879 1.00 0.00 C ATOM 255 CD ARG A 17 -2.061 -6.636 -11.152 1.00 0.00 C ATOM 256 NE ARG A 17 -1.717 -5.391 -11.833 1.00 0.00 N ATOM 257 CZ ARG A 17 -1.533 -5.294 -13.146 1.00 0.00 C ATOM 258 NH1 ARG A 17 -1.661 -6.365 -13.918 1.00 0.00 N ATOM 259 NH2 ARG A 17 -1.220 -4.125 -13.690 1.00 0.00 N ATOM 0 H ARG A 17 -5.660 -5.459 -8.943 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.104 -8.136 -8.119 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.914 -8.215 -9.464 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.393 -8.626 -10.310 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.077 -6.981 -11.805 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.931 -5.779 -10.538 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.515 -6.697 -10.211 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.742 -7.482 -11.761 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.612 -4.548 -11.269 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.901 -7.266 -13.505 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.519 -6.288 -14.925 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.120 -3.299 -13.101 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.079 -4.053 -14.698 1.00 0.00 H new ATOM 273 N LYS A 18 -4.118 -5.264 -7.441 1.00 0.00 N ATOM 274 CA LYS A 18 -3.357 -4.430 -6.534 1.00 0.00 C ATOM 275 C LYS A 18 -4.197 -4.096 -5.313 1.00 0.00 C ATOM 276 O LYS A 18 -5.423 -4.140 -5.361 1.00 0.00 O ATOM 277 CB LYS A 18 -2.921 -3.145 -7.234 1.00 0.00 C ATOM 278 CG LYS A 18 -4.027 -2.111 -7.332 1.00 0.00 C ATOM 279 CD LYS A 18 -3.904 -1.281 -8.598 1.00 0.00 C ATOM 280 CE LYS A 18 -3.966 0.207 -8.295 1.00 0.00 C ATOM 281 NZ LYS A 18 -3.263 1.016 -9.329 1.00 0.00 N ATOM 0 H LYS A 18 -4.923 -4.801 -7.862 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.467 -4.975 -6.219 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.077 -2.714 -6.695 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.569 -3.387 -8.237 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.996 -2.611 -7.316 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.992 -1.456 -6.462 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.963 -1.513 -9.097 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.705 -1.547 -9.288 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.008 0.522 -8.235 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.519 0.397 -7.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.329 2.025 -9.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.263 0.734 -9.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.706 0.855 -10.256 1.00 0.00 H new ATOM 294 N CYS A 19 -3.535 -3.764 -4.223 1.00 0.00 N ATOM 295 CA CYS A 19 -4.227 -3.426 -2.993 1.00 0.00 C ATOM 296 C CYS A 19 -3.752 -2.087 -2.455 1.00 0.00 C ATOM 297 O CYS A 19 -2.697 -1.583 -2.838 1.00 0.00 O ATOM 298 CB CYS A 19 -4.020 -4.523 -1.944 1.00 0.00 C ATOM 299 SG CYS A 19 -5.059 -4.346 -0.454 1.00 0.00 S ATOM 0 H CYS A 19 -2.518 -3.721 -4.163 1.00 0.00 H new ATOM 0 HA CYS A 19 -5.292 -3.348 -3.213 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.225 -5.491 -2.402 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.972 -4.528 -1.643 1.00 0.00 H new ATOM 0 HG CYS A 19 -4.810 -5.322 0.367 1.00 0.00 H new ATOM 304 N TYR A 20 -4.541 -1.532 -1.556 1.00 0.00 N ATOM 305 CA TYR A 20 -4.234 -0.263 -0.930 1.00 0.00 C ATOM 306 C TYR A 20 -4.239 -0.443 0.570 1.00 0.00 C ATOM 307 O TYR A 20 -4.898 -1.334 1.103 1.00 0.00 O ATOM 308 CB TYR A 20 -5.248 0.818 -1.329 1.00 0.00 C ATOM 309 CG TYR A 20 -4.915 1.541 -2.619 1.00 0.00 C ATOM 310 CD1 TYR A 20 -4.300 0.883 -3.677 1.00 0.00 C ATOM 311 CD2 TYR A 20 -5.219 2.889 -2.774 1.00 0.00 C ATOM 312 CE1 TYR A 20 -3.997 1.545 -4.851 1.00 0.00 C ATOM 313 CE2 TYR A 20 -4.920 3.558 -3.946 1.00 0.00 C ATOM 314 CZ TYR A 20 -4.310 2.882 -4.981 1.00 0.00 C ATOM 315 OH TYR A 20 -4.010 3.545 -6.149 1.00 0.00 O ATOM 0 H TYR A 20 -5.415 -1.951 -1.239 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.251 0.064 -1.267 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.231 0.358 -1.427 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.317 1.549 -0.524 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.055 -0.164 -3.580 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.697 3.422 -1.965 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.517 1.018 -5.663 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.163 4.605 -4.050 1.00 0.00 H new ATOM 0 HH TYR A 20 -4.297 4.479 -6.078 1.00 0.00 H new ATOM 325 N TYR A 21 -3.491 0.398 1.237 1.00 0.00 N ATOM 326 CA TYR A 21 -3.380 0.350 2.679 1.00 0.00 C ATOM 327 C TYR A 21 -3.934 1.617 3.279 1.00 0.00 C ATOM 328 O TYR A 21 -3.432 2.690 3.004 1.00 0.00 O ATOM 329 CB TYR A 21 -1.917 0.208 3.100 1.00 0.00 C ATOM 330 CG TYR A 21 -1.409 -1.210 3.110 1.00 0.00 C ATOM 331 CD1 TYR A 21 -1.583 -2.016 4.224 1.00 0.00 C ATOM 332 CD2 TYR A 21 -0.747 -1.739 2.011 1.00 0.00 C ATOM 333 CE1 TYR A 21 -1.112 -3.310 4.248 1.00 0.00 C ATOM 334 CE2 TYR A 21 -0.272 -3.035 2.022 1.00 0.00 C ATOM 335 CZ TYR A 21 -0.457 -3.819 3.143 1.00 0.00 C ATOM 336 OH TYR A 21 0.015 -5.112 3.162 1.00 0.00 O ATOM 0 H TYR A 21 -2.940 1.137 0.799 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.945 -0.511 3.035 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.298 0.798 2.425 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.795 0.632 4.097 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.097 -1.622 5.088 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.601 -1.127 1.133 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.254 -3.923 5.126 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.241 -3.433 1.159 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.555 -5.660 3.741 1.00 0.00 H new ATOM 346 N PHE A 22 -4.947 1.494 4.108 1.00 0.00 N ATOM 347 CA PHE A 22 -5.527 2.650 4.759 1.00 0.00 C ATOM 348 C PHE A 22 -5.564 2.383 6.256 1.00 0.00 C ATOM 349 O PHE A 22 -6.613 2.474 6.893 1.00 0.00 O ATOM 350 CB PHE A 22 -6.939 2.929 4.229 1.00 0.00 C ATOM 351 CG PHE A 22 -7.010 3.218 2.749 1.00 0.00 C ATOM 352 CD1 PHE A 22 -5.978 3.874 2.102 1.00 0.00 C ATOM 353 CD2 PHE A 22 -8.119 2.838 2.008 1.00 0.00 C ATOM 354 CE1 PHE A 22 -6.045 4.144 0.748 1.00 0.00 C ATOM 355 CE2 PHE A 22 -8.195 3.109 0.652 1.00 0.00 C ATOM 356 CZ PHE A 22 -7.153 3.762 0.022 1.00 0.00 C ATOM 0 H PHE A 22 -5.387 0.606 4.348 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.921 3.531 4.549 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.572 2.069 4.448 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.355 3.778 4.772 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.107 4.180 2.663 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -8.934 2.324 2.495 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.229 4.655 0.259 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.067 2.811 0.088 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.206 3.973 -1.036 1.00 0.00 H new ATOM 366 N GLY A 23 -4.407 2.023 6.803 1.00 0.00 N ATOM 367 CA GLY A 23 -4.319 1.705 8.212 1.00 0.00 C ATOM 368 C GLY A 23 -3.997 2.914 9.069 1.00 0.00 C ATOM 369 O GLY A 23 -3.816 4.017 8.553 1.00 0.00 O ATOM 0 H GLY A 23 -3.528 1.946 6.292 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.264 1.273 8.542 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.552 0.945 8.361 1.00 0.00 H new ATOM 373 N LYS A 24 -3.926 2.708 10.381 1.00 0.00 N ATOM 374 CA LYS A 24 -3.626 3.792 11.310 1.00 0.00 C ATOM 375 C LYS A 24 -2.379 3.481 12.131 1.00 0.00 C ATOM 376 O LYS A 24 -2.154 2.338 12.529 1.00 0.00 O ATOM 377 CB LYS A 24 -4.816 4.037 12.242 1.00 0.00 C ATOM 378 CG LYS A 24 -5.279 2.791 12.978 1.00 0.00 C ATOM 379 CD LYS A 24 -5.700 3.111 14.404 1.00 0.00 C ATOM 380 CE LYS A 24 -6.611 2.034 14.970 1.00 0.00 C ATOM 381 NZ LYS A 24 -7.895 2.600 15.471 1.00 0.00 N ATOM 0 H LYS A 24 -4.072 1.801 10.824 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.437 4.693 10.726 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.544 4.800 12.972 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.647 4.435 11.660 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.115 2.341 12.443 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.475 2.055 12.991 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.815 3.208 15.033 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.214 4.072 14.426 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.818 1.291 14.199 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.101 1.517 15.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.488 1.834 15.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.700 3.290 16.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.395 3.072 14.690 1.00 0.00 H new ATOM 436 N GLN A 28 3.569 11.465 10.584 1.00 0.00 N ATOM 437 CA GLN A 28 4.075 12.346 9.535 1.00 0.00 C ATOM 438 C GLN A 28 4.081 11.643 8.182 1.00 0.00 C ATOM 439 O GLN A 28 3.766 10.457 8.084 1.00 0.00 O ATOM 440 CB GLN A 28 5.487 12.825 9.874 1.00 0.00 C ATOM 441 CG GLN A 28 5.522 14.178 10.564 1.00 0.00 C ATOM 442 CD GLN A 28 6.924 14.746 10.665 1.00 0.00 C ATOM 443 OE1 GLN A 28 7.645 14.830 9.669 1.00 0.00 O ATOM 444 NE2 GLN A 28 7.319 15.140 11.870 1.00 0.00 N ATOM 0 HA GLN A 28 3.409 13.207 9.475 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.968 12.087 10.516 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.073 12.879 8.957 1.00 0.00 H new ATOM 0 HG2 GLN A 28 4.890 14.877 10.017 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.100 14.082 11.564 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.689 15.052 12.667 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.252 15.531 11.998 1.00 0.00 H new ATOM 453 N TRP A 29 4.443 12.387 7.142 1.00 0.00 N ATOM 454 CA TRP A 29 4.495 11.844 5.791 1.00 0.00 C ATOM 455 C TRP A 29 5.590 10.794 5.661 1.00 0.00 C ATOM 456 O TRP A 29 5.355 9.695 5.162 1.00 0.00 O ATOM 457 CB TRP A 29 4.729 12.958 4.773 1.00 0.00 C ATOM 458 CG TRP A 29 4.745 12.454 3.365 1.00 0.00 C ATOM 459 CD1 TRP A 29 3.671 12.300 2.539 1.00 0.00 C ATOM 460 CD2 TRP A 29 5.890 12.019 2.624 1.00 0.00 C ATOM 461 NE1 TRP A 29 4.077 11.796 1.330 1.00 0.00 N ATOM 462 CE2 TRP A 29 5.436 11.618 1.356 1.00 0.00 C ATOM 463 CE3 TRP A 29 7.256 11.933 2.910 1.00 0.00 C ATOM 464 CZ2 TRP A 29 6.296 11.136 0.374 1.00 0.00 C ATOM 465 CZ3 TRP A 29 8.111 11.455 1.934 1.00 0.00 C ATOM 466 CH2 TRP A 29 7.628 11.061 0.679 1.00 0.00 C ATOM 0 H TRP A 29 4.705 13.370 7.210 1.00 0.00 H new ATOM 0 HA TRP A 29 3.534 11.370 5.590 1.00 0.00 H new ATOM 0 HB2 TRP A 29 3.948 13.711 4.877 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.677 13.451 4.990 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.651 12.540 2.799 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.467 11.587 0.540 1.00 0.00 H new ATOM 0 HE3 TRP A 29 7.636 12.234 3.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.926 10.832 -0.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 9.168 11.384 2.142 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.321 10.691 -0.062 1.00 0.00 H new ATOM 477 N VAL A 30 6.787 11.148 6.110 1.00 0.00 N ATOM 478 CA VAL A 30 7.928 10.243 6.048 1.00 0.00 C ATOM 479 C VAL A 30 7.606 8.923 6.729 1.00 0.00 C ATOM 480 O VAL A 30 8.107 7.869 6.342 1.00 0.00 O ATOM 481 CB VAL A 30 9.172 10.862 6.708 1.00 0.00 C ATOM 482 CG1 VAL A 30 9.767 11.935 5.813 1.00 0.00 C ATOM 483 CG2 VAL A 30 8.821 11.435 8.073 1.00 0.00 C ATOM 0 H VAL A 30 6.994 12.058 6.522 1.00 0.00 H new ATOM 0 HA VAL A 30 8.141 10.066 4.994 1.00 0.00 H new ATOM 0 HB VAL A 30 9.917 10.079 6.847 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.646 12.363 6.294 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.054 11.494 4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.028 12.718 5.644 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.713 11.869 8.526 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.060 12.207 7.959 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.439 10.640 8.714 1.00 0.00 H new ATOM 493 N HIS A 31 6.758 8.990 7.744 1.00 0.00 N ATOM 494 CA HIS A 31 6.356 7.800 8.477 1.00 0.00 C ATOM 495 C HIS A 31 5.446 6.927 7.621 1.00 0.00 C ATOM 496 O HIS A 31 5.405 5.707 7.788 1.00 0.00 O ATOM 497 CB HIS A 31 5.647 8.189 9.775 1.00 0.00 C ATOM 498 CG HIS A 31 6.136 7.435 10.973 1.00 0.00 C ATOM 499 ND1 HIS A 31 6.663 6.163 10.899 1.00 0.00 N ATOM 500 CD2 HIS A 31 6.176 7.780 12.282 1.00 0.00 C ATOM 501 CE1 HIS A 31 7.006 5.758 12.109 1.00 0.00 C ATOM 502 NE2 HIS A 31 6.721 6.722 12.966 1.00 0.00 N ATOM 0 H HIS A 31 6.335 9.856 8.079 1.00 0.00 H new ATOM 0 HA HIS A 31 7.251 7.229 8.725 1.00 0.00 H new ATOM 0 HB2 HIS A 31 5.783 9.257 9.948 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.577 8.018 9.660 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.841 8.714 12.709 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.444 4.802 12.355 1.00 0.00 H new ATOM 0 HE2 HIS A 31 6.880 6.686 13.973 1.00 0.00 H new ATOM 511 N ALA A 32 4.720 7.555 6.699 1.00 0.00 N ATOM 512 CA ALA A 32 3.819 6.825 5.819 1.00 0.00 C ATOM 513 C ALA A 32 4.602 5.997 4.807 1.00 0.00 C ATOM 514 O ALA A 32 4.342 4.807 4.637 1.00 0.00 O ATOM 515 CB ALA A 32 2.879 7.786 5.107 1.00 0.00 C ATOM 0 H ALA A 32 4.739 8.563 6.544 1.00 0.00 H new ATOM 0 HA ALA A 32 3.225 6.144 6.428 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.212 7.225 4.453 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.290 8.332 5.844 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.461 8.491 4.513 1.00 0.00 H new ATOM 521 N ARG A 33 5.572 6.630 4.151 1.00 0.00 N ATOM 522 CA ARG A 33 6.401 5.942 3.171 1.00 0.00 C ATOM 523 C ARG A 33 7.166 4.804 3.830 1.00 0.00 C ATOM 524 O ARG A 33 7.310 3.725 3.256 1.00 0.00 O ATOM 525 CB ARG A 33 7.369 6.915 2.492 1.00 0.00 C ATOM 526 CG ARG A 33 8.325 7.601 3.452 1.00 0.00 C ATOM 527 CD ARG A 33 9.772 7.257 3.139 1.00 0.00 C ATOM 528 NE ARG A 33 10.257 7.960 1.953 1.00 0.00 N ATOM 529 CZ ARG A 33 11.476 8.481 1.852 1.00 0.00 C ATOM 530 NH1 ARG A 33 12.331 8.381 2.860 1.00 0.00 N ATOM 531 NH2 ARG A 33 11.840 9.104 0.739 1.00 0.00 N ATOM 0 H ARG A 33 5.801 7.615 4.281 1.00 0.00 H new ATOM 0 HA ARG A 33 5.747 5.526 2.405 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.947 6.374 1.743 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.794 7.675 1.963 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.186 8.681 3.396 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.092 7.303 4.474 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.399 7.513 3.994 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.864 6.182 2.986 1.00 0.00 H new ATOM 0 HE ARG A 33 9.625 8.056 1.158 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.055 7.903 3.718 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.265 8.782 2.778 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.185 9.183 -0.039 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.775 9.504 0.661 1.00 0.00 H new ATOM 545 N TYR A 34 7.640 5.043 5.049 1.00 0.00 N ATOM 546 CA TYR A 34 8.368 4.023 5.790 1.00 0.00 C ATOM 547 C TYR A 34 7.458 2.832 6.042 1.00 0.00 C ATOM 548 O TYR A 34 7.892 1.681 6.006 1.00 0.00 O ATOM 549 CB TYR A 34 8.889 4.584 7.114 1.00 0.00 C ATOM 550 CG TYR A 34 10.371 4.369 7.321 1.00 0.00 C ATOM 551 CD1 TYR A 34 10.862 3.143 7.751 1.00 0.00 C ATOM 552 CD2 TYR A 34 11.280 5.394 7.087 1.00 0.00 C ATOM 553 CE1 TYR A 34 12.215 2.943 7.941 1.00 0.00 C ATOM 554 CE2 TYR A 34 12.635 5.201 7.274 1.00 0.00 C ATOM 555 CZ TYR A 34 13.097 3.975 7.702 1.00 0.00 C ATOM 556 OH TYR A 34 14.447 3.780 7.890 1.00 0.00 O ATOM 0 H TYR A 34 7.533 5.930 5.541 1.00 0.00 H new ATOM 0 HA TYR A 34 9.226 3.702 5.199 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.676 5.652 7.155 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.345 4.118 7.936 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.174 2.332 7.940 1.00 0.00 H new ATOM 0 HD2 TYR A 34 10.921 6.357 6.754 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.580 1.983 8.275 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.329 6.007 7.086 1.00 0.00 H new ATOM 0 HH TYR A 34 14.930 4.606 7.677 1.00 0.00 H new ATOM 566 N ALA A 35 6.180 3.122 6.271 1.00 0.00 N ATOM 567 CA ALA A 35 5.193 2.079 6.499 1.00 0.00 C ATOM 568 C ALA A 35 5.003 1.269 5.225 1.00 0.00 C ATOM 569 O ALA A 35 4.820 0.053 5.268 1.00 0.00 O ATOM 570 CB ALA A 35 3.873 2.684 6.953 1.00 0.00 C ATOM 0 H ALA A 35 5.807 4.071 6.303 1.00 0.00 H new ATOM 0 HA ALA A 35 5.549 1.418 7.289 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.146 1.889 7.119 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.026 3.235 7.881 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.500 3.362 6.185 1.00 0.00 H new ATOM 576 N CYS A 36 5.068 1.959 4.089 1.00 0.00 N ATOM 577 CA CYS A 36 4.926 1.322 2.793 1.00 0.00 C ATOM 578 C CYS A 36 5.987 0.251 2.621 1.00 0.00 C ATOM 579 O CYS A 36 5.693 -0.880 2.237 1.00 0.00 O ATOM 580 CB CYS A 36 5.059 2.356 1.678 1.00 0.00 C ATOM 581 SG CYS A 36 4.089 3.871 1.950 1.00 0.00 S ATOM 0 H CYS A 36 5.219 2.967 4.046 1.00 0.00 H new ATOM 0 HA CYS A 36 3.939 0.864 2.738 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.110 2.625 1.570 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.748 1.902 0.737 1.00 0.00 H new ATOM 586 N ASP A 37 7.226 0.625 2.916 1.00 0.00 N ATOM 587 CA ASP A 37 8.346 -0.295 2.804 1.00 0.00 C ATOM 588 C ASP A 37 8.096 -1.539 3.649 1.00 0.00 C ATOM 589 O ASP A 37 8.445 -2.653 3.256 1.00 0.00 O ATOM 590 CB ASP A 37 9.643 0.386 3.246 1.00 0.00 C ATOM 591 CG ASP A 37 10.626 0.551 2.104 1.00 0.00 C ATOM 592 OD1 ASP A 37 10.514 1.551 1.364 1.00 0.00 O ATOM 593 OD2 ASP A 37 11.510 -0.319 1.950 1.00 0.00 O ATOM 0 H ASP A 37 7.479 1.560 3.235 1.00 0.00 H new ATOM 0 HA ASP A 37 8.444 -0.592 1.760 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.411 1.364 3.667 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.106 -0.201 4.039 1.00 0.00 H new ATOM 598 N ASP A 38 7.483 -1.338 4.811 1.00 0.00 N ATOM 599 CA ASP A 38 7.174 -2.439 5.717 1.00 0.00 C ATOM 600 C ASP A 38 6.048 -3.304 5.158 1.00 0.00 C ATOM 601 O ASP A 38 5.905 -4.470 5.529 1.00 0.00 O ATOM 602 CB ASP A 38 6.782 -1.898 7.094 1.00 0.00 C ATOM 603 CG ASP A 38 7.145 -2.853 8.214 1.00 0.00 C ATOM 604 OD1 ASP A 38 6.583 -3.967 8.251 1.00 0.00 O ATOM 605 OD2 ASP A 38 7.991 -2.485 9.057 1.00 0.00 O ATOM 0 H ASP A 38 7.190 -0.421 5.148 1.00 0.00 H new ATOM 0 HA ASP A 38 8.067 -3.057 5.817 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.278 -0.942 7.260 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.709 -1.709 7.115 1.00 0.00 H new ATOM 610 N MET A 39 5.253 -2.726 4.261 1.00 0.00 N ATOM 611 CA MET A 39 4.141 -3.442 3.647 1.00 0.00 C ATOM 612 C MET A 39 4.528 -3.933 2.256 1.00 0.00 C ATOM 613 O MET A 39 3.778 -4.664 1.610 1.00 0.00 O ATOM 614 CB MET A 39 2.908 -2.540 3.559 1.00 0.00 C ATOM 615 CG MET A 39 2.421 -2.046 4.911 1.00 0.00 C ATOM 616 SD MET A 39 1.977 -3.393 6.024 1.00 0.00 S ATOM 617 CE MET A 39 2.770 -2.856 7.538 1.00 0.00 C ATOM 0 H MET A 39 5.359 -1.762 3.944 1.00 0.00 H new ATOM 0 HA MET A 39 3.902 -4.304 4.270 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.140 -1.681 2.929 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.102 -3.086 3.069 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.199 -1.439 5.374 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.556 -1.399 4.767 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.339 -3.391 8.384 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.838 -3.065 7.483 1.00 0.00 H new ATOM 0 HE3 MET A 39 2.616 -1.785 7.669 1.00 0.00 H new ATOM 627 N GLU A 40 5.710 -3.515 1.811 1.00 0.00 N ATOM 628 CA GLU A 40 6.231 -3.894 0.502 1.00 0.00 C ATOM 629 C GLU A 40 5.402 -3.283 -0.620 1.00 0.00 C ATOM 630 O GLU A 40 5.019 -3.965 -1.570 1.00 0.00 O ATOM 631 CB GLU A 40 6.261 -5.414 0.355 1.00 0.00 C ATOM 632 CG GLU A 40 7.380 -6.081 1.139 1.00 0.00 C ATOM 633 CD GLU A 40 8.399 -6.754 0.242 1.00 0.00 C ATOM 634 OE1 GLU A 40 8.190 -7.934 -0.113 1.00 0.00 O ATOM 635 OE2 GLU A 40 9.407 -6.103 -0.105 1.00 0.00 O ATOM 0 H GLU A 40 6.331 -2.907 2.345 1.00 0.00 H new ATOM 0 HA GLU A 40 7.248 -3.509 0.428 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.305 -5.821 0.685 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.368 -5.666 -0.700 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.881 -5.335 1.756 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.953 -6.821 1.817 1.00 0.00 H new ATOM 642 N GLY A 41 5.129 -1.989 -0.503 1.00 0.00 N ATOM 643 CA GLY A 41 4.348 -1.303 -1.513 1.00 0.00 C ATOM 644 C GLY A 41 4.942 0.029 -1.921 1.00 0.00 C ATOM 645 O GLY A 41 6.105 0.105 -2.317 1.00 0.00 O ATOM 0 H GLY A 41 5.435 -1.403 0.274 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.263 -1.941 -2.393 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.338 -1.143 -1.136 1.00 0.00 H new ATOM 649 N GLN A 42 4.129 1.072 -1.845 1.00 0.00 N ATOM 650 CA GLN A 42 4.549 2.411 -2.228 1.00 0.00 C ATOM 651 C GLN A 42 3.622 3.418 -1.589 1.00 0.00 C ATOM 652 O GLN A 42 2.512 3.068 -1.205 1.00 0.00 O ATOM 653 CB GLN A 42 4.497 2.569 -3.748 1.00 0.00 C ATOM 654 CG GLN A 42 4.810 3.978 -4.229 1.00 0.00 C ATOM 655 CD GLN A 42 6.290 4.301 -4.164 1.00 0.00 C ATOM 656 OE1 GLN A 42 7.135 3.406 -4.163 1.00 0.00 O ATOM 657 NE2 GLN A 42 6.612 5.588 -4.108 1.00 0.00 N ATOM 0 H GLN A 42 3.165 1.015 -1.518 1.00 0.00 H new ATOM 0 HA GLN A 42 5.573 2.576 -1.892 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.205 1.875 -4.201 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.505 2.287 -4.100 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.461 4.093 -5.255 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.258 4.696 -3.622 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.879 6.298 -4.111 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.592 5.867 -4.062 1.00 0.00 H new ATOM 666 N LEU A 43 4.034 4.669 -1.482 1.00 0.00 N ATOM 667 CA LEU A 43 3.140 5.630 -0.897 1.00 0.00 C ATOM 668 C LEU A 43 2.090 5.950 -1.947 1.00 0.00 C ATOM 669 O LEU A 43 2.384 6.521 -2.998 1.00 0.00 O ATOM 670 CB LEU A 43 3.911 6.892 -0.482 1.00 0.00 C ATOM 671 CG LEU A 43 3.356 7.687 0.710 1.00 0.00 C ATOM 672 CD1 LEU A 43 2.669 6.787 1.716 1.00 0.00 C ATOM 673 CD2 LEU A 43 4.475 8.464 1.384 1.00 0.00 C ATOM 0 H LEU A 43 4.942 5.025 -1.780 1.00 0.00 H new ATOM 0 HA LEU A 43 2.669 5.235 0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.935 6.602 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.957 7.559 -1.343 1.00 0.00 H new ATOM 0 HG LEU A 43 2.610 8.383 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.291 7.388 2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.839 6.270 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.382 6.055 2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.072 9.024 2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.237 7.770 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.920 9.156 0.669 1.00 0.00 H new ATOM 685 N VAL A 44 0.872 5.524 -1.637 1.00 0.00 N ATOM 686 CA VAL A 44 -0.300 5.672 -2.498 1.00 0.00 C ATOM 687 C VAL A 44 -0.038 6.439 -3.783 1.00 0.00 C ATOM 688 O VAL A 44 0.040 5.851 -4.863 1.00 0.00 O ATOM 689 CB VAL A 44 -1.448 6.346 -1.742 1.00 0.00 C ATOM 690 CG1 VAL A 44 -2.627 5.397 -1.633 1.00 0.00 C ATOM 691 CG2 VAL A 44 -0.978 6.796 -0.369 1.00 0.00 C ATOM 0 H VAL A 44 0.664 5.053 -0.757 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.570 4.655 -2.784 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.772 7.228 -2.294 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.439 5.885 -1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.968 5.124 -2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.323 4.499 -1.095 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.803 7.274 0.159 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.635 5.932 0.200 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.158 7.506 -0.480 1.00 0.00 H new ATOM 701 N SER A 45 0.055 7.753 -3.665 1.00 0.00 N ATOM 702 CA SER A 45 0.265 8.614 -4.824 1.00 0.00 C ATOM 703 C SER A 45 -0.968 8.557 -5.719 1.00 0.00 C ATOM 704 O SER A 45 -0.881 8.245 -6.907 1.00 0.00 O ATOM 705 CB SER A 45 1.508 8.183 -5.605 1.00 0.00 C ATOM 706 OG SER A 45 2.538 9.149 -5.500 1.00 0.00 O ATOM 0 H SER A 45 -0.011 8.251 -2.777 1.00 0.00 H new ATOM 0 HA SER A 45 0.423 9.637 -4.483 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.864 7.225 -5.227 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.249 8.036 -6.654 1.00 0.00 H new ATOM 0 HG SER A 45 2.580 9.673 -6.327 1.00 0.00 H new ATOM 712 N ILE A 46 -2.119 8.843 -5.119 1.00 0.00 N ATOM 713 CA ILE A 46 -3.397 8.812 -5.824 1.00 0.00 C ATOM 714 C ILE A 46 -3.382 9.704 -7.059 1.00 0.00 C ATOM 715 O ILE A 46 -2.799 10.789 -7.051 1.00 0.00 O ATOM 716 CB ILE A 46 -4.568 9.238 -4.908 1.00 0.00 C ATOM 717 CG1 ILE A 46 -4.055 9.664 -3.529 1.00 0.00 C ATOM 718 CG2 ILE A 46 -5.569 8.101 -4.770 1.00 0.00 C ATOM 719 CD1 ILE A 46 -5.156 10.045 -2.565 1.00 0.00 C ATOM 0 H ILE A 46 -2.193 9.102 -4.135 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.547 7.778 -6.134 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.066 10.093 -5.366 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.473 8.849 -3.099 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.378 10.510 -3.648 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.388 8.414 -4.123 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.962 7.841 -5.753 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.075 7.232 -4.335 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.719 10.335 -1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.724 10.881 -2.973 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.820 9.194 -2.416 1.00 0.00 H new ATOM 731 N HIS A 47 -4.030 9.234 -8.122 1.00 0.00 N ATOM 732 CA HIS A 47 -4.098 9.980 -9.373 1.00 0.00 C ATOM 733 C HIS A 47 -5.514 9.969 -9.942 1.00 0.00 C ATOM 734 O HIS A 47 -5.779 10.575 -10.980 1.00 0.00 O ATOM 735 CB HIS A 47 -3.126 9.391 -10.396 1.00 0.00 C ATOM 736 CG HIS A 47 -3.086 7.895 -10.393 1.00 0.00 C ATOM 737 ND1 HIS A 47 -2.416 7.160 -9.438 1.00 0.00 N ATOM 738 CD2 HIS A 47 -3.639 6.992 -11.238 1.00 0.00 C ATOM 739 CE1 HIS A 47 -2.558 5.872 -9.695 1.00 0.00 C ATOM 740 NE2 HIS A 47 -3.296 5.744 -10.782 1.00 0.00 N ATOM 0 H HIS A 47 -4.516 8.338 -8.141 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.818 11.012 -9.163 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.406 9.737 -11.391 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.125 9.773 -10.196 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -1.892 7.550 -8.655 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.238 7.213 -12.109 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.141 5.062 -9.115 1.00 0.00 H new ATOM 749 N SER A 48 -6.423 9.279 -9.257 1.00 0.00 N ATOM 750 CA SER A 48 -7.806 9.196 -9.695 1.00 0.00 C ATOM 751 C SER A 48 -8.727 9.821 -8.658 1.00 0.00 C ATOM 752 O SER A 48 -8.739 9.402 -7.502 1.00 0.00 O ATOM 753 CB SER A 48 -8.203 7.737 -9.935 1.00 0.00 C ATOM 754 OG SER A 48 -9.123 7.629 -11.007 1.00 0.00 O ATOM 0 H SER A 48 -6.222 8.770 -8.396 1.00 0.00 H new ATOM 0 HA SER A 48 -7.905 9.745 -10.631 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.314 7.146 -10.154 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.645 7.323 -9.029 1.00 0.00 H new ATOM 0 HG SER A 48 -9.360 6.688 -11.141 1.00 0.00 H new ATOM 760 N PRO A 49 -9.515 10.835 -9.057 1.00 0.00 N ATOM 761 CA PRO A 49 -10.441 11.506 -8.148 1.00 0.00 C ATOM 762 C PRO A 49 -11.237 10.505 -7.325 1.00 0.00 C ATOM 763 O PRO A 49 -11.630 10.786 -6.192 1.00 0.00 O ATOM 764 CB PRO A 49 -11.354 12.284 -9.094 1.00 0.00 C ATOM 765 CG PRO A 49 -10.501 12.575 -10.280 1.00 0.00 C ATOM 766 CD PRO A 49 -9.570 11.399 -10.421 1.00 0.00 C ATOM 0 HA PRO A 49 -9.934 12.139 -7.419 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.231 11.699 -9.370 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.716 13.202 -8.631 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -11.109 12.701 -11.176 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.942 13.500 -10.141 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.948 10.672 -11.140 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.584 11.708 -10.767 1.00 0.00 H new ATOM 774 N GLU A 50 -11.457 9.327 -7.900 1.00 0.00 N ATOM 775 CA GLU A 50 -12.190 8.270 -7.221 1.00 0.00 C ATOM 776 C GLU A 50 -11.349 7.647 -6.122 1.00 0.00 C ATOM 777 O GLU A 50 -11.826 7.437 -5.008 1.00 0.00 O ATOM 778 CB GLU A 50 -12.615 7.186 -8.209 1.00 0.00 C ATOM 779 CG GLU A 50 -13.278 5.995 -7.543 1.00 0.00 C ATOM 780 CD GLU A 50 -13.274 4.759 -8.421 1.00 0.00 C ATOM 781 OE1 GLU A 50 -14.116 4.680 -9.340 1.00 0.00 O ATOM 782 OE2 GLU A 50 -12.428 3.868 -8.188 1.00 0.00 O ATOM 0 H GLU A 50 -11.136 9.082 -8.837 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.079 8.719 -6.777 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.303 7.617 -8.936 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.740 6.844 -8.762 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.764 5.774 -6.608 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.306 6.252 -7.288 1.00 0.00 H new ATOM 789 N GLU A 51 -10.100 7.337 -6.446 1.00 0.00 N ATOM 790 CA GLU A 51 -9.199 6.723 -5.490 1.00 0.00 C ATOM 791 C GLU A 51 -8.953 7.657 -4.312 1.00 0.00 C ATOM 792 O GLU A 51 -9.027 7.242 -3.156 1.00 0.00 O ATOM 793 CB GLU A 51 -7.879 6.349 -6.166 1.00 0.00 C ATOM 794 CG GLU A 51 -8.030 5.301 -7.255 1.00 0.00 C ATOM 795 CD GLU A 51 -8.383 3.934 -6.704 1.00 0.00 C ATOM 796 OE1 GLU A 51 -7.453 3.173 -6.361 1.00 0.00 O ATOM 797 OE2 GLU A 51 -9.589 3.623 -6.615 1.00 0.00 O ATOM 0 H GLU A 51 -9.691 7.503 -7.366 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.663 5.812 -5.113 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.433 7.246 -6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.186 5.979 -5.411 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.804 5.618 -7.954 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.100 5.232 -7.819 1.00 0.00 H new ATOM 804 N GLN A 52 -8.674 8.923 -4.611 1.00 0.00 N ATOM 805 CA GLN A 52 -8.434 9.911 -3.571 1.00 0.00 C ATOM 806 C GLN A 52 -9.675 10.062 -2.701 1.00 0.00 C ATOM 807 O GLN A 52 -9.580 10.143 -1.480 1.00 0.00 O ATOM 808 CB GLN A 52 -8.027 11.261 -4.182 1.00 0.00 C ATOM 809 CG GLN A 52 -9.199 12.174 -4.522 1.00 0.00 C ATOM 810 CD GLN A 52 -9.436 13.258 -3.482 1.00 0.00 C ATOM 811 OE1 GLN A 52 -10.068 14.275 -3.768 1.00 0.00 O ATOM 812 NE2 GLN A 52 -8.933 13.051 -2.268 1.00 0.00 N ATOM 0 H GLN A 52 -8.609 9.285 -5.562 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.609 9.567 -2.947 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.369 11.779 -3.484 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.450 11.077 -5.088 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.018 12.642 -5.490 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.102 11.572 -4.623 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.415 12.195 -2.070 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.065 13.748 -1.535 1.00 0.00 H new ATOM 821 N ASP A 53 -10.836 10.072 -3.344 1.00 0.00 N ATOM 822 CA ASP A 53 -12.107 10.183 -2.648 1.00 0.00 C ATOM 823 C ASP A 53 -12.365 8.919 -1.844 1.00 0.00 C ATOM 824 O ASP A 53 -12.961 8.959 -0.770 1.00 0.00 O ATOM 825 CB ASP A 53 -13.245 10.413 -3.645 1.00 0.00 C ATOM 826 CG ASP A 53 -14.523 10.867 -2.968 1.00 0.00 C ATOM 827 OD1 ASP A 53 -14.472 11.851 -2.201 1.00 0.00 O ATOM 828 OD2 ASP A 53 -15.576 10.239 -3.205 1.00 0.00 O ATOM 0 H ASP A 53 -10.921 10.004 -4.358 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.063 11.036 -1.971 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.938 11.161 -4.376 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.436 9.491 -4.194 1.00 0.00 H new ATOM 833 N PHE A 54 -11.927 7.795 -2.396 1.00 0.00 N ATOM 834 CA PHE A 54 -12.109 6.499 -1.771 1.00 0.00 C ATOM 835 C PHE A 54 -11.446 6.452 -0.399 1.00 0.00 C ATOM 836 O PHE A 54 -12.076 6.091 0.595 1.00 0.00 O ATOM 837 CB PHE A 54 -11.493 5.431 -2.672 1.00 0.00 C ATOM 838 CG PHE A 54 -12.470 4.412 -3.165 1.00 0.00 C ATOM 839 CD1 PHE A 54 -12.804 3.320 -2.385 1.00 0.00 C ATOM 840 CD2 PHE A 54 -13.046 4.544 -4.415 1.00 0.00 C ATOM 841 CE1 PHE A 54 -13.701 2.376 -2.843 1.00 0.00 C ATOM 842 CE2 PHE A 54 -13.942 3.605 -4.882 1.00 0.00 C ATOM 843 CZ PHE A 54 -14.271 2.517 -4.096 1.00 0.00 C ATOM 0 H PHE A 54 -11.436 7.760 -3.289 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.176 6.318 -1.637 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.028 5.918 -3.529 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.699 4.923 -2.125 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.359 3.205 -1.408 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.791 5.392 -5.033 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.958 1.529 -2.224 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.386 3.720 -5.860 1.00 0.00 H new ATOM 0 HZ PHE A 54 -14.971 1.779 -4.459 1.00 0.00 H new ATOM 853 N LEU A 55 -10.179 6.836 -0.353 1.00 0.00 N ATOM 854 CA LEU A 55 -9.433 6.858 0.897 1.00 0.00 C ATOM 855 C LEU A 55 -9.873 8.030 1.758 1.00 0.00 C ATOM 856 O LEU A 55 -9.971 7.921 2.980 1.00 0.00 O ATOM 857 CB LEU A 55 -7.939 6.956 0.628 1.00 0.00 C ATOM 858 CG LEU A 55 -7.560 7.825 -0.561 1.00 0.00 C ATOM 859 CD1 LEU A 55 -7.072 9.182 -0.087 1.00 0.00 C ATOM 860 CD2 LEU A 55 -6.506 7.129 -1.402 1.00 0.00 C ATOM 0 H LEU A 55 -9.645 7.137 -1.168 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.637 5.928 1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.449 7.350 1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.547 5.952 0.466 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.442 7.982 -1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.804 9.794 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.863 9.676 0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.198 9.052 0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.242 7.760 -2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.619 6.947 -0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.899 6.179 -1.765 1.00 0.00 H new ATOM 872 N THR A 56 -10.131 9.153 1.099 1.00 0.00 N ATOM 873 CA THR A 56 -10.558 10.361 1.775 1.00 0.00 C ATOM 874 C THR A 56 -11.859 10.098 2.520 1.00 0.00 C ATOM 875 O THR A 56 -12.056 10.568 3.641 1.00 0.00 O ATOM 876 CB THR A 56 -10.716 11.494 0.752 1.00 0.00 C ATOM 877 OG1 THR A 56 -9.640 12.406 0.839 1.00 0.00 O ATOM 878 CG2 THR A 56 -11.997 12.286 0.890 1.00 0.00 C ATOM 0 H THR A 56 -10.049 9.247 0.087 1.00 0.00 H new ATOM 0 HA THR A 56 -9.807 10.665 2.504 1.00 0.00 H new ATOM 0 HB THR A 56 -10.736 10.987 -0.213 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.985 12.207 0.138 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.027 13.065 0.129 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.851 11.621 0.762 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.038 12.743 1.879 1.00 0.00 H new ATOM 886 N LYS A 57 -12.729 9.313 1.896 1.00 0.00 N ATOM 887 CA LYS A 57 -13.996 8.949 2.502 1.00 0.00 C ATOM 888 C LYS A 57 -13.749 7.916 3.592 1.00 0.00 C ATOM 889 O LYS A 57 -14.424 7.905 4.622 1.00 0.00 O ATOM 890 CB LYS A 57 -14.957 8.390 1.451 1.00 0.00 C ATOM 891 CG LYS A 57 -16.414 8.744 1.709 1.00 0.00 C ATOM 892 CD LYS A 57 -16.695 10.207 1.406 1.00 0.00 C ATOM 893 CE LYS A 57 -16.838 10.449 -0.088 1.00 0.00 C ATOM 894 NZ LYS A 57 -17.375 11.805 -0.382 1.00 0.00 N ATOM 0 H LYS A 57 -12.576 8.917 0.968 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.453 9.838 2.937 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.668 8.767 0.470 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.856 7.305 1.418 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.057 8.114 1.094 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.662 8.533 2.749 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.608 10.516 1.915 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.887 10.823 1.800 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.867 10.331 -0.569 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.500 9.696 -0.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.457 11.930 -1.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.313 11.909 0.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.731 12.525 0.004 1.00 0.00 H new ATOM 907 N HIS A 58 -12.761 7.054 3.355 1.00 0.00 N ATOM 908 CA HIS A 58 -12.402 6.020 4.313 1.00 0.00 C ATOM 909 C HIS A 58 -11.823 6.645 5.579 1.00 0.00 C ATOM 910 O HIS A 58 -11.926 6.077 6.666 1.00 0.00 O ATOM 911 CB HIS A 58 -11.389 5.053 3.698 1.00 0.00 C ATOM 912 CG HIS A 58 -11.592 3.630 4.117 1.00 0.00 C ATOM 913 ND1 HIS A 58 -12.770 2.944 3.911 1.00 0.00 N ATOM 914 CD2 HIS A 58 -10.756 2.759 4.734 1.00 0.00 C ATOM 915 CE1 HIS A 58 -12.653 1.716 4.384 1.00 0.00 C ATOM 916 NE2 HIS A 58 -11.440 1.578 4.887 1.00 0.00 N ATOM 0 H HIS A 58 -12.197 7.055 2.505 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.304 5.466 4.575 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -11.452 5.116 2.612 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.383 5.366 3.978 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -13.603 3.326 3.463 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -9.741 2.957 5.047 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -13.419 0.955 4.363 1.00 0.00 H new ATOM 978 N GLY A 63 -6.990 12.093 8.678 1.00 0.00 N ATOM 979 CA GLY A 63 -6.922 12.013 7.230 1.00 0.00 C ATOM 980 C GLY A 63 -6.033 10.882 6.754 1.00 0.00 C ATOM 981 O GLY A 63 -5.852 9.886 7.455 1.00 0.00 O ATOM 0 HA2 GLY A 63 -7.926 11.875 6.829 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.547 12.957 6.834 1.00 0.00 H new ATOM 985 N SER A 64 -5.476 11.035 5.556 1.00 0.00 N ATOM 986 CA SER A 64 -4.601 10.018 4.983 1.00 0.00 C ATOM 987 C SER A 64 -3.348 10.648 4.380 1.00 0.00 C ATOM 988 O SER A 64 -3.315 11.846 4.099 1.00 0.00 O ATOM 989 CB SER A 64 -5.350 9.218 3.916 1.00 0.00 C ATOM 990 OG SER A 64 -5.013 9.661 2.613 1.00 0.00 O ATOM 0 H SER A 64 -5.615 11.854 4.964 1.00 0.00 H new ATOM 0 HA SER A 64 -4.293 9.346 5.784 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.110 8.159 4.016 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.424 9.318 4.070 1.00 0.00 H new ATOM 0 HG SER A 64 -5.717 10.254 2.277 1.00 0.00 H new ATOM 996 N TRP A 65 -2.323 9.826 4.173 1.00 0.00 N ATOM 997 CA TRP A 65 -1.068 10.290 3.593 1.00 0.00 C ATOM 998 C TRP A 65 -0.890 9.708 2.199 1.00 0.00 C ATOM 999 O TRP A 65 -1.077 8.512 1.990 1.00 0.00 O ATOM 1000 CB TRP A 65 0.109 9.890 4.488 1.00 0.00 C ATOM 1001 CG TRP A 65 0.425 10.908 5.542 1.00 0.00 C ATOM 1002 CD1 TRP A 65 0.892 12.175 5.345 1.00 0.00 C ATOM 1003 CD2 TRP A 65 0.297 10.745 6.960 1.00 0.00 C ATOM 1004 NE1 TRP A 65 1.060 12.809 6.552 1.00 0.00 N ATOM 1005 CE2 TRP A 65 0.702 11.952 7.558 1.00 0.00 C ATOM 1006 CE3 TRP A 65 -0.122 9.696 7.781 1.00 0.00 C ATOM 1007 CZ2 TRP A 65 0.701 12.139 8.938 1.00 0.00 C ATOM 1008 CZ3 TRP A 65 -0.124 9.882 9.150 1.00 0.00 C ATOM 1009 CH2 TRP A 65 0.285 11.095 9.717 1.00 0.00 C ATOM 0 H TRP A 65 -2.338 8.832 4.400 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.096 11.377 3.519 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -0.116 8.938 4.968 1.00 0.00 H new ATOM 0 HB3 TRP A 65 0.991 9.734 3.868 1.00 0.00 H new ATOM 0 HD1 TRP A 65 1.099 12.615 4.381 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.397 13.763 6.678 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -0.439 8.756 7.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 1.017 13.074 9.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -0.447 9.077 9.794 1.00 0.00 H new ATOM 0 HH2 TRP A 65 0.272 11.208 10.791 1.00 0.00 H new ATOM 1020 N ILE A 66 -0.541 10.559 1.246 1.00 0.00 N ATOM 1021 CA ILE A 66 -0.358 10.122 -0.131 1.00 0.00 C ATOM 1022 C ILE A 66 1.095 10.212 -0.566 1.00 0.00 C ATOM 1023 O ILE A 66 1.921 10.811 0.116 1.00 0.00 O ATOM 1024 CB ILE A 66 -1.229 10.929 -1.106 1.00 0.00 C ATOM 1025 CG1 ILE A 66 -0.566 12.265 -1.431 1.00 0.00 C ATOM 1026 CG2 ILE A 66 -2.617 11.138 -0.516 1.00 0.00 C ATOM 1027 CD1 ILE A 66 -1.477 13.243 -2.133 1.00 0.00 C ATOM 0 H ILE A 66 -0.379 11.554 1.400 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.669 9.078 -0.160 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.332 10.369 -2.036 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.208 12.717 -0.506 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.308 12.084 -2.057 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.227 11.711 -1.215 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.085 10.170 -0.335 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.534 11.683 0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.935 14.168 -2.330 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.816 12.813 -3.075 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.339 13.456 -1.501 1.00 0.00 H new ATOM 1039 N GLY A 67 1.390 9.597 -1.704 1.00 0.00 N ATOM 1040 CA GLY A 67 2.739 9.598 -2.233 1.00 0.00 C ATOM 1041 C GLY A 67 3.138 10.928 -2.842 1.00 0.00 C ATOM 1042 O GLY A 67 3.566 10.982 -3.993 1.00 0.00 O ATOM 0 H GLY A 67 0.711 9.093 -2.275 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.436 9.347 -1.434 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.827 8.818 -2.989 1.00 0.00 H new ATOM 1046 N LEU A 68 3.004 12.003 -2.073 1.00 0.00 N ATOM 1047 CA LEU A 68 3.363 13.330 -2.560 1.00 0.00 C ATOM 1048 C LEU A 68 4.356 14.031 -1.637 1.00 0.00 C ATOM 1049 O LEU A 68 4.115 14.184 -0.439 1.00 0.00 O ATOM 1050 CB LEU A 68 2.112 14.201 -2.715 1.00 0.00 C ATOM 1051 CG LEU A 68 2.284 15.442 -3.598 1.00 0.00 C ATOM 1052 CD1 LEU A 68 3.112 16.505 -2.891 1.00 0.00 C ATOM 1053 CD2 LEU A 68 2.927 15.066 -4.919 1.00 0.00 C ATOM 0 H LEU A 68 2.652 11.983 -1.116 1.00 0.00 H new ATOM 0 HA LEU A 68 3.840 13.193 -3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.312 13.588 -3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.788 14.522 -1.725 1.00 0.00 H new ATOM 0 HG LEU A 68 1.295 15.857 -3.794 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.218 17.374 -3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.613 16.800 -1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.098 16.103 -2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.042 15.958 -5.535 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.906 14.624 -4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.296 14.346 -5.439 1.00 0.00 H new ATOM 1065 N ARG A 69 5.455 14.486 -2.227 1.00 0.00 N ATOM 1066 CA ARG A 69 6.490 15.216 -1.506 1.00 0.00 C ATOM 1067 C ARG A 69 6.991 16.373 -2.370 1.00 0.00 C ATOM 1068 O ARG A 69 7.462 16.155 -3.486 1.00 0.00 O ATOM 1069 CB ARG A 69 7.644 14.281 -1.134 1.00 0.00 C ATOM 1070 CG ARG A 69 8.936 15.006 -0.790 1.00 0.00 C ATOM 1071 CD ARG A 69 10.051 14.650 -1.759 1.00 0.00 C ATOM 1072 NE ARG A 69 11.371 14.927 -1.199 1.00 0.00 N ATOM 1073 CZ ARG A 69 12.372 14.052 -1.202 1.00 0.00 C ATOM 1074 NH1 ARG A 69 12.205 12.849 -1.737 1.00 0.00 N ATOM 1075 NH2 ARG A 69 13.543 14.379 -0.673 1.00 0.00 N ATOM 0 H ARG A 69 5.654 14.359 -3.219 1.00 0.00 H new ATOM 0 HA ARG A 69 6.071 15.617 -0.583 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.344 13.670 -0.283 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.830 13.601 -1.965 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.766 16.083 -0.809 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.239 14.749 0.225 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.982 13.594 -2.019 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.923 15.215 -2.682 1.00 0.00 H new ATOM 0 HE ARG A 69 11.534 15.843 -0.782 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.307 12.594 -2.147 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.975 12.180 -1.738 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.677 15.303 -0.263 1.00 0.00 H new ATOM 0 HH22 ARG A 69 14.310 13.706 -0.676 1.00 0.00 H new ATOM 1089 N ASN A 70 6.890 17.599 -1.867 1.00 0.00 N ATOM 1090 CA ASN A 70 7.339 18.757 -2.633 1.00 0.00 C ATOM 1091 C ASN A 70 8.808 19.060 -2.357 1.00 0.00 C ATOM 1092 O ASN A 70 9.333 18.727 -1.294 1.00 0.00 O ATOM 1093 CB ASN A 70 6.473 19.983 -2.324 1.00 0.00 C ATOM 1094 CG ASN A 70 7.270 21.137 -1.748 1.00 0.00 C ATOM 1095 OD1 ASN A 70 7.648 21.122 -0.577 1.00 0.00 O ATOM 1096 ND2 ASN A 70 7.530 22.145 -2.572 1.00 0.00 N ATOM 0 H ASN A 70 6.507 17.815 -0.947 1.00 0.00 H new ATOM 0 HA ASN A 70 7.234 18.518 -3.691 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.977 20.311 -3.237 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.690 19.701 -1.620 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.063 22.949 -2.242 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.197 22.115 -3.536 1.00 0.00 H new ATOM 1196 N PHE A 77 5.442 19.834 -6.719 1.00 0.00 N ATOM 1197 CA PHE A 77 5.119 18.636 -5.960 1.00 0.00 C ATOM 1198 C PHE A 77 5.505 17.386 -6.744 1.00 0.00 C ATOM 1199 O PHE A 77 5.024 17.164 -7.856 1.00 0.00 O ATOM 1200 CB PHE A 77 3.622 18.590 -5.617 1.00 0.00 C ATOM 1201 CG PHE A 77 3.040 19.882 -5.090 1.00 0.00 C ATOM 1202 CD1 PHE A 77 3.836 20.997 -4.859 1.00 0.00 C ATOM 1203 CD2 PHE A 77 1.679 19.980 -4.837 1.00 0.00 C ATOM 1204 CE1 PHE A 77 3.291 22.175 -4.387 1.00 0.00 C ATOM 1205 CE2 PHE A 77 1.129 21.158 -4.368 1.00 0.00 C ATOM 1206 CZ PHE A 77 1.936 22.255 -4.143 1.00 0.00 C ATOM 0 HA PHE A 77 5.689 18.666 -5.032 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.070 18.300 -6.511 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.460 17.808 -4.875 1.00 0.00 H new ATOM 0 HD1 PHE A 77 4.897 20.942 -5.051 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.042 19.125 -5.009 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.924 23.032 -4.209 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.068 21.220 -4.178 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.507 23.175 -3.776 1.00 0.00 H new ATOM 1216 N ILE A 78 6.377 16.579 -6.157 1.00 0.00 N ATOM 1217 CA ILE A 78 6.835 15.353 -6.788 1.00 0.00 C ATOM 1218 C ILE A 78 6.411 14.137 -5.971 1.00 0.00 C ATOM 1219 O ILE A 78 6.439 14.167 -4.744 1.00 0.00 O ATOM 1220 CB ILE A 78 8.371 15.358 -6.964 1.00 0.00 C ATOM 1221 CG1 ILE A 78 8.723 15.585 -8.443 1.00 0.00 C ATOM 1222 CG2 ILE A 78 8.991 14.072 -6.423 1.00 0.00 C ATOM 1223 CD1 ILE A 78 9.511 14.461 -9.089 1.00 0.00 C ATOM 0 H ILE A 78 6.783 16.755 -5.238 1.00 0.00 H new ATOM 0 HA ILE A 78 6.374 15.296 -7.774 1.00 0.00 H new ATOM 0 HB ILE A 78 8.792 16.179 -6.383 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.800 15.731 -9.003 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.297 16.508 -8.528 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.072 14.103 -6.560 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.763 13.976 -5.362 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.582 13.217 -6.961 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.713 14.710 -10.131 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.454 14.326 -8.559 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.933 13.538 -9.042 1.00 0.00 H new ATOM 1235 N TRP A 79 6.020 13.074 -6.656 1.00 0.00 N ATOM 1236 CA TRP A 79 5.589 11.858 -5.980 1.00 0.00 C ATOM 1237 C TRP A 79 6.788 11.109 -5.412 1.00 0.00 C ATOM 1238 O TRP A 79 7.894 11.196 -5.942 1.00 0.00 O ATOM 1239 CB TRP A 79 4.832 10.936 -6.943 1.00 0.00 C ATOM 1240 CG TRP A 79 3.505 11.472 -7.399 1.00 0.00 C ATOM 1241 CD1 TRP A 79 3.002 12.723 -7.187 1.00 0.00 C ATOM 1242 CD2 TRP A 79 2.516 10.766 -8.156 1.00 0.00 C ATOM 1243 NE1 TRP A 79 1.759 12.836 -7.759 1.00 0.00 N ATOM 1244 CE2 TRP A 79 1.438 11.648 -8.362 1.00 0.00 C ATOM 1245 CE3 TRP A 79 2.436 9.473 -8.679 1.00 0.00 C ATOM 1246 CZ2 TRP A 79 0.296 11.277 -9.067 1.00 0.00 C ATOM 1247 CZ3 TRP A 79 1.302 9.106 -9.380 1.00 0.00 C ATOM 1248 CH2 TRP A 79 0.246 10.005 -9.569 1.00 0.00 C ATOM 0 H TRP A 79 5.992 13.027 -7.675 1.00 0.00 H new ATOM 0 HA TRP A 79 4.924 12.150 -5.167 1.00 0.00 H new ATOM 0 HB2 TRP A 79 5.456 10.753 -7.818 1.00 0.00 H new ATOM 0 HB3 TRP A 79 4.674 9.973 -6.457 1.00 0.00 H new ATOM 0 HD1 TRP A 79 3.508 13.510 -6.648 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.170 13.669 -7.738 1.00 0.00 H new ATOM 0 HE3 TRP A 79 3.246 8.772 -8.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -0.521 11.968 -9.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 1.230 8.109 -9.789 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -0.626 9.688 -10.122 1.00 0.00 H new ATOM 1259 N VAL A 80 6.553 10.368 -4.336 1.00 0.00 N ATOM 1260 CA VAL A 80 7.605 9.588 -3.694 1.00 0.00 C ATOM 1261 C VAL A 80 8.190 8.579 -4.678 1.00 0.00 C ATOM 1262 O VAL A 80 9.339 8.154 -4.547 1.00 0.00 O ATOM 1263 CB VAL A 80 7.054 8.841 -2.462 1.00 0.00 C ATOM 1264 CG1 VAL A 80 5.652 8.341 -2.743 1.00 0.00 C ATOM 1265 CG2 VAL A 80 7.969 7.693 -2.054 1.00 0.00 C ATOM 0 H VAL A 80 5.640 10.291 -3.888 1.00 0.00 H new ATOM 0 HA VAL A 80 8.387 10.275 -3.372 1.00 0.00 H new ATOM 0 HB VAL A 80 7.016 9.540 -1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.271 7.815 -1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.003 9.187 -2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.672 7.661 -3.595 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.552 7.187 -1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.054 6.985 -2.878 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.956 8.084 -1.808 1.00 0.00 H new ATOM 1275 N ASP A 81 7.386 8.208 -5.668 1.00 0.00 N ATOM 1276 CA ASP A 81 7.809 7.252 -6.685 1.00 0.00 C ATOM 1277 C ASP A 81 8.721 7.921 -7.706 1.00 0.00 C ATOM 1278 O ASP A 81 9.211 7.279 -8.635 1.00 0.00 O ATOM 1279 CB ASP A 81 6.592 6.649 -7.388 1.00 0.00 C ATOM 1280 CG ASP A 81 6.925 5.364 -8.121 1.00 0.00 C ATOM 1281 OD1 ASP A 81 7.439 4.428 -7.474 1.00 0.00 O ATOM 1282 OD2 ASP A 81 6.670 5.294 -9.342 1.00 0.00 O ATOM 0 H ASP A 81 6.435 8.556 -5.788 1.00 0.00 H new ATOM 0 HA ASP A 81 8.364 6.454 -6.192 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.812 6.453 -6.653 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.189 7.373 -8.095 1.00 0.00 H new ATOM 1287 N GLY A 82 8.946 9.216 -7.520 1.00 0.00 N ATOM 1288 CA GLY A 82 9.802 9.958 -8.421 1.00 0.00 C ATOM 1289 C GLY A 82 9.081 10.417 -9.673 1.00 0.00 C ATOM 1290 O GLY A 82 9.682 10.502 -10.744 1.00 0.00 O ATOM 0 H GLY A 82 8.549 9.766 -6.758 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.204 10.827 -7.900 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.651 9.335 -8.704 1.00 0.00 H new ATOM 1294 N SER A 83 7.791 10.716 -9.543 1.00 0.00 N ATOM 1295 CA SER A 83 6.997 11.168 -10.681 1.00 0.00 C ATOM 1296 C SER A 83 6.177 12.405 -10.324 1.00 0.00 C ATOM 1297 O SER A 83 5.374 12.380 -9.396 1.00 0.00 O ATOM 1298 CB SER A 83 6.072 10.050 -11.161 1.00 0.00 C ATOM 1299 OG SER A 83 6.148 9.894 -12.567 1.00 0.00 O ATOM 0 H SER A 83 7.276 10.654 -8.665 1.00 0.00 H new ATOM 0 HA SER A 83 7.684 11.433 -11.484 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.344 9.114 -10.673 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.045 10.274 -10.872 1.00 0.00 H new ATOM 0 HG SER A 83 5.549 9.172 -12.849 1.00 0.00 H new ATOM 1305 N HIS A 84 6.383 13.487 -11.069 1.00 0.00 N ATOM 1306 CA HIS A 84 5.659 14.730 -10.830 1.00 0.00 C ATOM 1307 C HIS A 84 4.151 14.498 -10.850 1.00 0.00 C ATOM 1308 O HIS A 84 3.659 13.617 -11.557 1.00 0.00 O ATOM 1309 CB HIS A 84 6.040 15.777 -11.879 1.00 0.00 C ATOM 1310 CG HIS A 84 5.815 15.321 -13.288 1.00 0.00 C ATOM 1311 ND1 HIS A 84 6.478 14.250 -13.848 1.00 0.00 N ATOM 1312 CD2 HIS A 84 4.991 15.798 -14.252 1.00 0.00 C ATOM 1313 CE1 HIS A 84 6.073 14.088 -15.096 1.00 0.00 C ATOM 1314 NE2 HIS A 84 5.171 15.013 -15.364 1.00 0.00 N ATOM 0 H HIS A 84 7.046 13.528 -11.843 1.00 0.00 H new ATOM 0 HA HIS A 84 5.937 15.097 -9.842 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.462 16.684 -11.702 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.090 16.039 -11.754 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.319 16.638 -14.162 1.00 0.00 H new ATOM 0 HE1 HIS A 84 6.421 13.328 -15.780 1.00 0.00 H new ATOM 0 HE2 HIS A 84 4.686 15.127 -16.254 1.00 0.00 H new ATOM 1323 N VAL A 85 3.428 15.292 -10.069 1.00 0.00 N ATOM 1324 CA VAL A 85 1.974 15.180 -9.988 1.00 0.00 C ATOM 1325 C VAL A 85 1.334 15.246 -11.372 1.00 0.00 C ATOM 1326 O VAL A 85 1.924 15.774 -12.315 1.00 0.00 O ATOM 1327 CB VAL A 85 1.376 16.291 -9.103 1.00 0.00 C ATOM 1328 CG1 VAL A 85 -0.104 16.048 -8.865 1.00 0.00 C ATOM 1329 CG2 VAL A 85 2.120 16.381 -7.782 1.00 0.00 C ATOM 0 H VAL A 85 3.826 16.024 -9.480 1.00 0.00 H new ATOM 0 HA VAL A 85 1.757 14.210 -9.540 1.00 0.00 H new ATOM 0 HB VAL A 85 1.488 17.241 -9.626 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.507 16.843 -8.238 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.629 16.037 -9.820 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.240 15.089 -8.366 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.683 17.171 -7.171 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.042 15.430 -7.255 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.170 16.607 -7.970 1.00 0.00 H new ATOM 1339 N ASP A 86 0.125 14.702 -11.487 1.00 0.00 N ATOM 1340 CA ASP A 86 -0.593 14.696 -12.756 1.00 0.00 C ATOM 1341 C ASP A 86 -1.872 15.527 -12.675 1.00 0.00 C ATOM 1342 O ASP A 86 -2.040 16.494 -13.418 1.00 0.00 O ATOM 1343 CB ASP A 86 -0.932 13.261 -13.165 1.00 0.00 C ATOM 1344 CG ASP A 86 -0.201 12.829 -14.421 1.00 0.00 C ATOM 1345 OD1 ASP A 86 0.942 12.338 -14.302 1.00 0.00 O ATOM 1346 OD2 ASP A 86 -0.769 12.984 -15.522 1.00 0.00 O ATOM 0 H ASP A 86 -0.377 14.260 -10.717 1.00 0.00 H new ATOM 0 HA ASP A 86 0.057 15.143 -13.508 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.678 12.584 -12.349 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -2.007 13.177 -13.326 1.00 0.00 H new ATOM 1351 N TYR A 87 -2.775 15.141 -11.777 1.00 0.00 N ATOM 1352 CA TYR A 87 -4.042 15.850 -11.612 1.00 0.00 C ATOM 1353 C TYR A 87 -4.046 16.700 -10.347 1.00 0.00 C ATOM 1354 O TYR A 87 -4.574 17.813 -10.340 1.00 0.00 O ATOM 1355 CB TYR A 87 -5.206 14.859 -11.577 1.00 0.00 C ATOM 1356 CG TYR A 87 -5.899 14.692 -12.911 1.00 0.00 C ATOM 1357 CD1 TYR A 87 -5.404 13.817 -13.869 1.00 0.00 C ATOM 1358 CD2 TYR A 87 -7.050 15.410 -13.211 1.00 0.00 C ATOM 1359 CE1 TYR A 87 -6.034 13.662 -15.088 1.00 0.00 C ATOM 1360 CE2 TYR A 87 -7.687 15.260 -14.429 1.00 0.00 C ATOM 1361 CZ TYR A 87 -7.175 14.386 -15.364 1.00 0.00 C ATOM 1362 OH TYR A 87 -7.806 14.234 -16.577 1.00 0.00 O ATOM 0 H TYR A 87 -2.654 14.343 -11.153 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.161 16.515 -12.467 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.836 13.889 -11.245 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.934 15.193 -10.838 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -4.511 13.248 -13.657 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.454 16.096 -12.481 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.635 12.977 -15.822 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -8.581 15.825 -14.647 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.595 14.815 -16.611 1.00 0.00 H new ATOM 1372 N SER A 88 -3.456 16.169 -9.279 1.00 0.00 N ATOM 1373 CA SER A 88 -3.390 16.873 -7.997 1.00 0.00 C ATOM 1374 C SER A 88 -4.789 17.151 -7.451 1.00 0.00 C ATOM 1375 O SER A 88 -5.774 17.092 -8.188 1.00 0.00 O ATOM 1376 CB SER A 88 -2.615 18.185 -8.138 1.00 0.00 C ATOM 1377 OG SER A 88 -2.063 18.325 -9.436 1.00 0.00 O ATOM 0 H SER A 88 -3.014 15.250 -9.274 1.00 0.00 H new ATOM 0 HA SER A 88 -2.865 16.228 -7.292 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.278 19.025 -7.931 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.817 18.219 -7.396 1.00 0.00 H new ATOM 0 HG SER A 88 -1.576 19.173 -9.495 1.00 0.00 H new ATOM 1383 N ASN A 89 -4.877 17.443 -6.154 1.00 0.00 N ATOM 1384 CA ASN A 89 -6.166 17.713 -5.530 1.00 0.00 C ATOM 1385 C ASN A 89 -6.093 18.848 -4.501 1.00 0.00 C ATOM 1386 O ASN A 89 -7.134 19.342 -4.067 1.00 0.00 O ATOM 1387 CB ASN A 89 -6.700 16.446 -4.858 1.00 0.00 C ATOM 1388 CG ASN A 89 -7.161 15.396 -5.848 1.00 0.00 C ATOM 1389 OD1 ASN A 89 -7.587 15.711 -6.959 1.00 0.00 O ATOM 1390 ND2 ASN A 89 -7.081 14.135 -5.438 1.00 0.00 N ATOM 0 H ASN A 89 -4.078 17.498 -5.522 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.844 18.030 -6.322 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -5.921 16.022 -4.225 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.532 16.711 -4.205 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -7.380 13.379 -6.054 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.721 13.923 -4.508 1.00 0.00 H new ATOM 1592 N CYS A 104 4.189 18.336 1.958 1.00 0.00 N ATOM 1593 CA CYS A 104 3.533 17.083 1.626 1.00 0.00 C ATOM 1594 C CYS A 104 2.048 17.317 1.423 1.00 0.00 C ATOM 1595 O CYS A 104 1.535 18.398 1.713 1.00 0.00 O ATOM 1596 CB CYS A 104 3.757 16.049 2.729 1.00 0.00 C ATOM 1597 SG CYS A 104 3.508 16.696 4.412 1.00 0.00 S ATOM 0 HA CYS A 104 3.964 16.698 0.702 1.00 0.00 H new ATOM 0 HB2 CYS A 104 3.080 15.210 2.569 1.00 0.00 H new ATOM 0 HB3 CYS A 104 4.772 15.659 2.647 1.00 0.00 H new ATOM 0 HG CYS A 104 3.731 17.977 4.422 1.00 0.00 H new ATOM 1602 N VAL A 105 1.361 16.310 0.916 1.00 0.00 N ATOM 1603 CA VAL A 105 -0.064 16.427 0.673 1.00 0.00 C ATOM 1604 C VAL A 105 -0.862 15.398 1.465 1.00 0.00 C ATOM 1605 O VAL A 105 -0.498 14.225 1.543 1.00 0.00 O ATOM 1606 CB VAL A 105 -0.385 16.296 -0.823 1.00 0.00 C ATOM 1607 CG1 VAL A 105 -1.884 16.301 -1.048 1.00 0.00 C ATOM 1608 CG2 VAL A 105 0.266 17.425 -1.600 1.00 0.00 C ATOM 0 H VAL A 105 1.764 15.407 0.666 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.359 17.420 1.012 1.00 0.00 H new ATOM 0 HB VAL A 105 0.015 15.347 -1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.092 16.207 -2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.335 15.464 -0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.305 17.236 -0.677 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.031 17.321 -2.659 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.111 18.381 -1.237 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.347 17.385 -1.463 1.00 0.00 H new ATOM 1618 N MET A 106 -1.950 15.870 2.055 1.00 0.00 N ATOM 1619 CA MET A 106 -2.835 15.041 2.861 1.00 0.00 C ATOM 1620 C MET A 106 -4.288 15.377 2.538 1.00 0.00 C ATOM 1621 O MET A 106 -4.553 16.356 1.849 1.00 0.00 O ATOM 1622 CB MET A 106 -2.552 15.265 4.351 1.00 0.00 C ATOM 1623 CG MET A 106 -3.266 16.474 4.937 1.00 0.00 C ATOM 1624 SD MET A 106 -2.191 17.480 5.977 1.00 0.00 S ATOM 1625 CE MET A 106 -1.007 18.071 4.770 1.00 0.00 C ATOM 0 H MET A 106 -2.246 16.844 1.988 1.00 0.00 H new ATOM 0 HA MET A 106 -2.656 13.991 2.629 1.00 0.00 H new ATOM 0 HB2 MET A 106 -2.850 14.375 4.906 1.00 0.00 H new ATOM 0 HB3 MET A 106 -1.478 15.385 4.493 1.00 0.00 H new ATOM 0 HG2 MET A 106 -3.658 17.088 4.126 1.00 0.00 H new ATOM 0 HG3 MET A 106 -4.121 16.137 5.524 1.00 0.00 H new ATOM 0 HE1 MET A 106 -0.046 17.585 4.935 1.00 0.00 H new ATOM 0 HE2 MET A 106 -1.364 17.839 3.767 1.00 0.00 H new ATOM 0 HE3 MET A 106 -0.890 19.150 4.873 1.00 0.00 H new ATOM 1725 N TRP A 113 -7.722 17.031 -1.134 1.00 0.00 N ATOM 1726 CA TRP A 113 -6.398 17.158 -0.541 1.00 0.00 C ATOM 1727 C TRP A 113 -6.117 18.577 -0.107 1.00 0.00 C ATOM 1728 O TRP A 113 -6.728 19.529 -0.585 1.00 0.00 O ATOM 1729 CB TRP A 113 -5.288 16.838 -1.540 1.00 0.00 C ATOM 1730 CG TRP A 113 -5.273 15.467 -2.120 1.00 0.00 C ATOM 1731 CD1 TRP A 113 -6.075 14.409 -1.822 1.00 0.00 C ATOM 1732 CD2 TRP A 113 -4.374 15.027 -3.134 1.00 0.00 C ATOM 1733 NE1 TRP A 113 -5.726 13.331 -2.602 1.00 0.00 N ATOM 1734 CE2 TRP A 113 -4.678 13.688 -3.414 1.00 0.00 C ATOM 1735 CE3 TRP A 113 -3.338 15.652 -3.831 1.00 0.00 C ATOM 1736 CZ2 TRP A 113 -3.978 12.952 -4.371 1.00 0.00 C ATOM 1737 CZ3 TRP A 113 -2.643 14.926 -4.781 1.00 0.00 C ATOM 1738 CH2 TRP A 113 -2.966 13.587 -5.042 1.00 0.00 C ATOM 0 HA TRP A 113 -6.402 16.462 0.297 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -5.355 17.552 -2.361 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -4.330 17.008 -1.048 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -6.865 14.415 -1.086 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -6.173 12.415 -2.581 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -3.084 16.683 -3.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -4.225 11.921 -4.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.841 15.397 -5.329 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -2.405 13.044 -5.788 1.00 0.00 H new ATOM 1749 N ASN A 114 -5.116 18.699 0.738 1.00 0.00 N ATOM 1750 CA ASN A 114 -4.636 19.979 1.181 1.00 0.00 C ATOM 1751 C ASN A 114 -3.116 19.917 1.193 1.00 0.00 C ATOM 1752 O ASN A 114 -2.524 19.089 1.886 1.00 0.00 O ATOM 1753 CB ASN A 114 -5.173 20.313 2.576 1.00 0.00 C ATOM 1754 CG ASN A 114 -6.673 20.527 2.580 1.00 0.00 C ATOM 1755 OD1 ASN A 114 -7.190 21.397 1.878 1.00 0.00 O ATOM 1756 ND2 ASN A 114 -7.383 19.732 3.372 1.00 0.00 N ATOM 0 H ASN A 114 -4.613 17.906 1.136 1.00 0.00 H new ATOM 0 HA ASN A 114 -4.982 20.764 0.509 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -4.922 19.504 3.262 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -4.679 21.211 2.947 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -8.397 19.829 3.415 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -6.914 19.024 3.937 1.00 0.00 H new ATOM 1763 N ASP A 115 -2.490 20.779 0.409 1.00 0.00 N ATOM 1764 CA ASP A 115 -1.040 20.806 0.314 1.00 0.00 C ATOM 1765 C ASP A 115 -0.431 21.677 1.408 1.00 0.00 C ATOM 1766 O ASP A 115 -0.561 22.901 1.386 1.00 0.00 O ATOM 1767 CB ASP A 115 -0.621 21.310 -1.066 1.00 0.00 C ATOM 1768 CG ASP A 115 0.882 21.268 -1.251 1.00 0.00 C ATOM 1769 OD1 ASP A 115 1.418 20.173 -1.518 1.00 0.00 O ATOM 1770 OD2 ASP A 115 1.525 22.332 -1.125 1.00 0.00 O ATOM 0 H ASP A 115 -2.964 21.470 -0.172 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.667 19.791 0.453 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -1.098 20.702 -1.835 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -0.975 22.332 -1.202 1.00 0.00 H new ATOM 1891 N GLY A 123 -3.347 10.742 11.259 1.00 0.00 N ATOM 1892 CA GLY A 123 -2.997 9.652 12.150 1.00 0.00 C ATOM 1893 C GLY A 123 -3.139 8.292 11.494 1.00 0.00 C ATOM 1894 O GLY A 123 -3.053 7.263 12.164 1.00 0.00 O ATOM 0 HA2 GLY A 123 -1.969 9.782 12.490 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -3.633 9.693 13.034 1.00 0.00 H new ATOM 1898 N ALA A 124 -3.354 8.285 10.181 1.00 0.00 N ATOM 1899 CA ALA A 124 -3.506 7.040 9.440 1.00 0.00 C ATOM 1900 C ALA A 124 -2.518 6.972 8.280 1.00 0.00 C ATOM 1901 O ALA A 124 -2.414 7.909 7.489 1.00 0.00 O ATOM 1902 CB ALA A 124 -4.932 6.898 8.930 1.00 0.00 C ATOM 0 H ALA A 124 -3.427 9.127 9.611 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.292 6.213 10.117 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.030 5.963 8.378 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -5.622 6.895 9.774 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.168 7.734 8.272 1.00 0.00 H new ATOM 1908 N TRP A 125 -1.800 5.857 8.182 1.00 0.00 N ATOM 1909 CA TRP A 125 -0.827 5.667 7.118 1.00 0.00 C ATOM 1910 C TRP A 125 -1.428 4.847 5.990 1.00 0.00 C ATOM 1911 O TRP A 125 -2.065 3.814 6.223 1.00 0.00 O ATOM 1912 CB TRP A 125 0.427 4.976 7.655 1.00 0.00 C ATOM 1913 CG TRP A 125 0.136 3.703 8.385 1.00 0.00 C ATOM 1914 CD1 TRP A 125 -0.220 3.574 9.695 1.00 0.00 C ATOM 1915 CD2 TRP A 125 0.174 2.375 7.848 1.00 0.00 C ATOM 1916 NE1 TRP A 125 -0.407 2.251 10.006 1.00 0.00 N ATOM 1917 CE2 TRP A 125 -0.172 1.493 8.889 1.00 0.00 C ATOM 1918 CE3 TRP A 125 0.465 1.847 6.586 1.00 0.00 C ATOM 1919 CZ2 TRP A 125 -0.233 0.114 8.708 1.00 0.00 C ATOM 1920 CZ3 TRP A 125 0.404 0.477 6.408 1.00 0.00 C ATOM 1921 CH2 TRP A 125 0.057 -0.375 7.464 1.00 0.00 C ATOM 0 H TRP A 125 -1.876 5.072 8.829 1.00 0.00 H new ATOM 0 HA TRP A 125 -0.548 6.647 6.731 1.00 0.00 H new ATOM 0 HB2 TRP A 125 1.100 4.764 6.824 1.00 0.00 H new ATOM 0 HB3 TRP A 125 0.951 5.659 8.324 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -0.338 4.394 10.387 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -0.677 1.890 10.921 1.00 0.00 H new ATOM 0 HE3 TRP A 125 0.732 2.497 5.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -0.500 -0.546 9.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 0.628 0.057 5.438 1.00 0.00 H new ATOM 0 HH2 TRP A 125 0.018 -1.441 7.292 1.00 0.00 H new ATOM 1932 N VAL A 126 -1.231 5.314 4.766 1.00 0.00 N ATOM 1933 CA VAL A 126 -1.762 4.623 3.612 1.00 0.00 C ATOM 1934 C VAL A 126 -0.696 4.400 2.536 1.00 0.00 C ATOM 1935 O VAL A 126 -0.003 5.328 2.121 1.00 0.00 O ATOM 1936 CB VAL A 126 -2.979 5.373 3.025 1.00 0.00 C ATOM 1937 CG1 VAL A 126 -2.948 6.841 3.399 1.00 0.00 C ATOM 1938 CG2 VAL A 126 -3.065 5.195 1.519 1.00 0.00 C ATOM 0 H VAL A 126 -0.710 6.164 4.552 1.00 0.00 H new ATOM 0 HA VAL A 126 -2.093 3.642 3.953 1.00 0.00 H new ATOM 0 HB VAL A 126 -3.877 4.935 3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -3.816 7.344 2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -2.968 6.940 4.484 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -2.037 7.296 3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -3.932 5.735 1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.160 5.587 1.054 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -3.165 4.136 1.283 1.00 0.00 H new ATOM 1948 N CYS A 127 -0.590 3.149 2.094 1.00 0.00 N ATOM 1949 CA CYS A 127 0.369 2.745 1.062 1.00 0.00 C ATOM 1950 C CYS A 127 -0.271 1.728 0.128 1.00 0.00 C ATOM 1951 O CYS A 127 -1.279 1.131 0.469 1.00 0.00 O ATOM 1952 CB CYS A 127 1.628 2.146 1.683 1.00 0.00 C ATOM 1953 SG CYS A 127 2.430 3.215 2.916 1.00 0.00 S ATOM 0 H CYS A 127 -1.167 2.383 2.441 1.00 0.00 H new ATOM 0 HA CYS A 127 0.652 3.634 0.499 1.00 0.00 H new ATOM 0 HB2 CYS A 127 1.372 1.197 2.153 1.00 0.00 H new ATOM 0 HB3 CYS A 127 2.342 1.926 0.889 1.00 0.00 H new ATOM 1958 N ASP A 128 0.307 1.511 -1.043 1.00 0.00 N ATOM 1959 CA ASP A 128 -0.256 0.547 -1.969 1.00 0.00 C ATOM 1960 C ASP A 128 0.778 -0.480 -2.395 1.00 0.00 C ATOM 1961 O ASP A 128 1.952 -0.169 -2.571 1.00 0.00 O ATOM 1962 CB ASP A 128 -0.817 1.258 -3.202 1.00 0.00 C ATOM 1963 CG ASP A 128 0.246 2.038 -3.953 1.00 0.00 C ATOM 1964 OD1 ASP A 128 0.859 2.941 -3.346 1.00 0.00 O ATOM 1965 OD2 ASP A 128 0.463 1.745 -5.147 1.00 0.00 O ATOM 0 H ASP A 128 1.151 1.981 -1.369 1.00 0.00 H new ATOM 0 HA ASP A 128 -1.063 0.026 -1.454 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -1.264 0.522 -3.870 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -1.613 1.936 -2.896 1.00 0.00 H new ATOM 1970 N ARG A 129 0.312 -1.708 -2.564 1.00 0.00 N ATOM 1971 CA ARG A 129 1.163 -2.815 -2.974 1.00 0.00 C ATOM 1972 C ARG A 129 0.331 -3.885 -3.662 1.00 0.00 C ATOM 1973 O ARG A 129 -0.893 -3.886 -3.561 1.00 0.00 O ATOM 1974 CB ARG A 129 1.886 -3.414 -1.764 1.00 0.00 C ATOM 1975 CG ARG A 129 1.029 -4.368 -0.945 1.00 0.00 C ATOM 1976 CD ARG A 129 1.732 -5.699 -0.727 1.00 0.00 C ATOM 1977 NE ARG A 129 1.297 -6.351 0.506 1.00 0.00 N ATOM 1978 CZ ARG A 129 2.080 -7.135 1.241 1.00 0.00 C ATOM 1979 NH1 ARG A 129 3.333 -7.361 0.872 1.00 0.00 N ATOM 1980 NH2 ARG A 129 1.610 -7.692 2.349 1.00 0.00 N ATOM 0 H ARG A 129 -0.665 -1.965 -2.421 1.00 0.00 H new ATOM 0 HA ARG A 129 1.909 -2.437 -3.674 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.774 -3.944 -2.109 1.00 0.00 H new ATOM 0 HB3 ARG A 129 2.228 -2.604 -1.120 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.798 -3.915 0.019 1.00 0.00 H new ATOM 0 HG3 ARG A 129 0.080 -4.535 -1.454 1.00 0.00 H new ATOM 0 HD2 ARG A 129 1.535 -6.356 -1.574 1.00 0.00 H new ATOM 0 HD3 ARG A 129 2.810 -5.539 -0.692 1.00 0.00 H new ATOM 0 HE ARG A 129 0.339 -6.196 0.821 1.00 0.00 H new ATOM 0 HH11 ARG A 129 3.699 -6.933 0.022 1.00 0.00 H new ATOM 0 HH12 ARG A 129 3.931 -7.963 1.438 1.00 0.00 H new ATOM 0 HH21 ARG A 129 0.647 -7.519 2.638 1.00 0.00 H new ATOM 0 HH22 ARG A 129 2.211 -8.293 2.912 1.00 0.00 H new ATOM 1994 N LEU A 130 0.995 -4.797 -4.353 1.00 0.00 N ATOM 1995 CA LEU A 130 0.299 -5.871 -5.048 1.00 0.00 C ATOM 1996 C LEU A 130 -0.199 -6.921 -4.059 1.00 0.00 C ATOM 1997 O LEU A 130 0.538 -7.344 -3.168 1.00 0.00 O ATOM 1998 CB LEU A 130 1.214 -6.508 -6.095 1.00 0.00 C ATOM 1999 CG LEU A 130 1.265 -5.790 -7.452 1.00 0.00 C ATOM 2000 CD1 LEU A 130 0.525 -6.597 -8.508 1.00 0.00 C ATOM 2001 CD2 LEU A 130 0.683 -4.382 -7.355 1.00 0.00 C ATOM 0 H LEU A 130 2.010 -4.817 -4.448 1.00 0.00 H new ATOM 0 HA LEU A 130 -0.567 -5.447 -5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 130 2.225 -6.554 -5.689 1.00 0.00 H new ATOM 0 HB3 LEU A 130 0.889 -7.536 -6.259 1.00 0.00 H new ATOM 0 HG LEU A 130 2.311 -5.702 -7.745 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.571 -6.074 -9.463 1.00 0.00 H new ATOM 0 HD12 LEU A 130 0.990 -7.578 -8.608 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -0.516 -6.718 -8.210 1.00 0.00 H new ATOM 0 HD21 LEU A 130 0.733 -3.900 -8.331 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -0.356 -4.439 -7.032 1.00 0.00 H new ATOM 0 HD23 LEU A 130 1.256 -3.800 -6.633 1.00 0.00 H new