USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 962 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 18 SER OG : rot -175:sc= -3.66! USER MOD Set 1.2: A 126 MET CE :methyl -113:sc= -2.73! (180deg=-3!) USER MOD Set 2.1: A 96 TYR OH : rot -162:sc= 1.31 USER MOD Set 2.2: A 98 GLN : amide:sc= -2.84! C(o=-1.5!,f=-6.5!) USER MOD Set 3.1: A 75 HIS : no HE2:sc= -0.347 K(o=-1.2,f=-3.3) USER MOD Set 3.2: A 77 ASN : amide:sc= -0.852 K(o=-1.2,f=-7.9!) USER MOD Set 4.1: A 54 TYR OH : rot 180:sc= -0.302 USER MOD Set 4.2: A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 21 TYR OH : rot -152:sc= -0.424 USER MOD Set 5.2: A 26 SER OG : rot 36:sc= 0.405 USER MOD Single : A 16 GLN : amide:sc= -11.9! C(o=-12!,f=-18!) USER MOD Single : A 22 ASN : amide:sc= -0.533 K(o=-0.53,f=-6.5!) USER MOD Single : A 24 GLN : amide:sc= -0.0613 X(o=-0.061,f=-0.28) USER MOD Single : A 27 THR OG1 : rot 59:sc= 0.81 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 160:sc= -0.219 (180deg=-0.782) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 46 THR OG1 : rot 140:sc= -0.505 USER MOD Single : A 47 SER OG : rot 24:sc= 0.903 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 151:sc= 0.208 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0.0043 K(o=0.0043,f=-3.4!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0.138 X(o=0.14,f=-0.17) USER MOD Single : A 115 SER OG : rot 30:sc= 0.944 USER MOD Single : A 119 ASN : amide:sc= -2.07 X(o=-2.1,f=-2.1!) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -0.199 K(o=-0.2,f=-2.5!) USER MOD Single : A 127 GLN : amide:sc= -1.56 X(o=-1.6,f=-1.7) USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 43:sc= -1.83 USER MOD ----------------------------------------------------------------- ATOM 130 N LEU A 12 16.686 9.712 1.275 1.00 0.00 N ATOM 131 CA LEU A 12 15.277 9.382 1.091 1.00 0.00 C ATOM 132 C LEU A 12 14.655 8.901 2.398 1.00 0.00 C ATOM 133 O LEU A 12 13.471 9.119 2.651 1.00 0.00 O ATOM 134 CB LEU A 12 15.120 8.309 0.013 1.00 0.00 C ATOM 135 CG LEU A 12 15.712 8.642 -1.357 1.00 0.00 C ATOM 136 CD1 LEU A 12 15.838 10.148 -1.532 1.00 0.00 C ATOM 137 CD2 LEU A 12 17.065 7.968 -1.532 1.00 0.00 C ATOM 0 HA LEU A 12 14.757 10.286 0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 12 15.583 7.390 0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 12 14.057 8.102 -0.113 1.00 0.00 H new ATOM 0 HG LEU A 12 15.038 8.262 -2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 12 16.261 10.366 -2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 12 14.853 10.607 -1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 12 16.491 10.551 -0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 12 17.471 8.216 -2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 12 17.748 8.317 -0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 12 16.946 6.887 -1.451 1.00 0.00 H new ATOM 149 N GLY A 13 15.463 8.246 3.226 1.00 0.00 N ATOM 150 CA GLY A 13 14.975 7.746 4.498 1.00 0.00 C ATOM 151 C GLY A 13 14.559 6.290 4.428 1.00 0.00 C ATOM 152 O GLY A 13 14.953 5.569 3.511 1.00 0.00 O ATOM 0 H GLY A 13 16.447 8.053 3.039 1.00 0.00 H new ATOM 0 HA2 GLY A 13 15.752 7.863 5.253 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.125 8.348 4.820 1.00 0.00 H new ATOM 156 N ARG A 14 13.762 5.856 5.398 1.00 0.00 N ATOM 157 CA ARG A 14 13.295 4.476 5.444 1.00 0.00 C ATOM 158 C ARG A 14 11.794 4.418 5.714 1.00 0.00 C ATOM 159 O ARG A 14 11.205 5.380 6.207 1.00 0.00 O ATOM 160 CB ARG A 14 14.048 3.696 6.523 1.00 0.00 C ATOM 161 CG ARG A 14 13.712 4.135 7.939 1.00 0.00 C ATOM 162 CD ARG A 14 14.687 3.552 8.949 1.00 0.00 C ATOM 163 NE ARG A 14 14.811 4.391 10.138 1.00 0.00 N ATOM 164 CZ ARG A 14 15.511 4.045 11.213 1.00 0.00 C ATOM 165 NH1 ARG A 14 16.146 2.882 11.248 1.00 0.00 N ATOM 166 NH2 ARG A 14 15.576 4.863 12.256 1.00 0.00 N ATOM 0 H ARG A 14 13.426 6.441 6.163 1.00 0.00 H new ATOM 0 HA ARG A 14 13.490 4.021 4.473 1.00 0.00 H new ATOM 0 HB2 ARG A 14 13.821 2.635 6.417 1.00 0.00 H new ATOM 0 HB3 ARG A 14 15.120 3.811 6.361 1.00 0.00 H new ATOM 0 HG2 ARG A 14 13.732 5.223 7.998 1.00 0.00 H new ATOM 0 HG3 ARG A 14 12.698 3.821 8.187 1.00 0.00 H new ATOM 0 HD2 ARG A 14 14.354 2.556 9.241 1.00 0.00 H new ATOM 0 HD3 ARG A 14 15.666 3.437 8.483 1.00 0.00 H new ATOM 0 HE ARG A 14 14.334 5.292 10.143 1.00 0.00 H new ATOM 0 HH11 ARG A 14 16.098 2.250 10.448 1.00 0.00 H new ATOM 0 HH12 ARG A 14 16.683 2.619 12.074 1.00 0.00 H new ATOM 0 HH21 ARG A 14 15.088 5.759 12.233 1.00 0.00 H new ATOM 0 HH22 ARG A 14 16.114 4.596 13.081 1.00 0.00 H new ATOM 180 N ILE A 15 11.182 3.285 5.386 1.00 0.00 N ATOM 181 CA ILE A 15 9.751 3.102 5.594 1.00 0.00 C ATOM 182 C ILE A 15 9.463 1.783 6.303 1.00 0.00 C ATOM 183 O ILE A 15 10.130 0.778 6.059 1.00 0.00 O ATOM 184 CB ILE A 15 8.980 3.136 4.261 1.00 0.00 C ATOM 185 CG1 ILE A 15 7.475 3.041 4.515 1.00 0.00 C ATOM 186 CG2 ILE A 15 9.442 2.005 3.354 1.00 0.00 C ATOM 187 CD1 ILE A 15 6.636 3.323 3.288 1.00 0.00 C ATOM 0 H ILE A 15 11.655 2.480 4.975 1.00 0.00 H new ATOM 0 HA ILE A 15 9.414 3.928 6.220 1.00 0.00 H new ATOM 0 HB ILE A 15 9.186 4.083 3.763 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.239 2.043 4.885 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.202 3.745 5.301 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.888 2.042 2.416 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.507 2.113 3.151 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.262 1.048 3.844 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.579 3.238 3.542 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.843 4.331 2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.880 2.603 2.507 1.00 0.00 H new ATOM 199 N GLN A 16 8.464 1.795 7.179 1.00 0.00 N ATOM 200 CA GLN A 16 8.086 0.599 7.922 1.00 0.00 C ATOM 201 C GLN A 16 6.622 0.246 7.679 1.00 0.00 C ATOM 202 O GLN A 16 5.721 0.993 8.061 1.00 0.00 O ATOM 203 CB GLN A 16 8.332 0.803 9.418 1.00 0.00 C ATOM 204 CG GLN A 16 7.895 -0.376 10.273 1.00 0.00 C ATOM 205 CD GLN A 16 7.566 0.026 11.697 1.00 0.00 C ATOM 206 OE1 GLN A 16 7.134 1.151 11.953 1.00 0.00 O ATOM 207 NE2 GLN A 16 7.769 -0.893 12.634 1.00 0.00 N ATOM 0 H GLN A 16 7.902 2.619 7.392 1.00 0.00 H new ATOM 0 HA GLN A 16 8.703 -0.227 7.569 1.00 0.00 H new ATOM 0 HB2 GLN A 16 9.394 0.986 9.581 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.801 1.696 9.747 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.021 -0.844 9.820 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.687 -1.125 10.285 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.128 -1.812 12.377 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.566 -0.679 13.610 1.00 0.00 H new ATOM 216 N PHE A 17 6.392 -0.896 7.040 1.00 0.00 N ATOM 217 CA PHE A 17 5.037 -1.347 6.744 1.00 0.00 C ATOM 218 C PHE A 17 4.886 -2.838 7.030 1.00 0.00 C ATOM 219 O PHE A 17 5.802 -3.624 6.789 1.00 0.00 O ATOM 220 CB PHE A 17 4.688 -1.059 5.283 1.00 0.00 C ATOM 221 CG PHE A 17 5.607 -1.732 4.303 1.00 0.00 C ATOM 222 CD1 PHE A 17 6.815 -1.150 3.954 1.00 0.00 C ATOM 223 CD2 PHE A 17 5.262 -2.946 3.731 1.00 0.00 C ATOM 224 CE1 PHE A 17 7.663 -1.767 3.054 1.00 0.00 C ATOM 225 CE2 PHE A 17 6.106 -3.567 2.831 1.00 0.00 C ATOM 226 CZ PHE A 17 7.308 -2.977 2.490 1.00 0.00 C ATOM 0 H PHE A 17 7.126 -1.526 6.717 1.00 0.00 H new ATOM 0 HA PHE A 17 4.350 -0.799 7.389 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.665 -1.383 5.091 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.718 0.018 5.116 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.097 -0.203 4.390 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.323 -3.412 3.992 1.00 0.00 H new ATOM 0 HE1 PHE A 17 8.603 -1.304 2.792 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.826 -4.514 2.394 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.968 -3.460 1.785 1.00 0.00 H new ATOM 236 N SER A 18 3.722 -3.221 7.547 1.00 0.00 N ATOM 237 CA SER A 18 3.451 -4.616 7.871 1.00 0.00 C ATOM 238 C SER A 18 2.696 -5.300 6.736 1.00 0.00 C ATOM 239 O SER A 18 1.799 -4.714 6.129 1.00 0.00 O ATOM 240 CB SER A 18 2.645 -4.714 9.167 1.00 0.00 C ATOM 241 OG SER A 18 1.253 -4.744 8.901 1.00 0.00 O ATOM 0 H SER A 18 2.952 -2.584 7.750 1.00 0.00 H new ATOM 0 HA SER A 18 4.406 -5.124 8.007 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.934 -5.613 9.711 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.878 -3.864 9.809 1.00 0.00 H new ATOM 0 HG SER A 18 0.758 -4.728 9.747 1.00 0.00 H new ATOM 247 N VAL A 19 3.065 -6.546 6.453 1.00 0.00 N ATOM 248 CA VAL A 19 2.423 -7.312 5.392 1.00 0.00 C ATOM 249 C VAL A 19 1.779 -8.579 5.942 1.00 0.00 C ATOM 250 O VAL A 19 2.335 -9.242 6.816 1.00 0.00 O ATOM 251 CB VAL A 19 3.428 -7.696 4.290 1.00 0.00 C ATOM 252 CG1 VAL A 19 2.729 -8.449 3.168 1.00 0.00 C ATOM 253 CG2 VAL A 19 4.132 -6.458 3.755 1.00 0.00 C ATOM 0 H VAL A 19 3.806 -7.046 6.945 1.00 0.00 H new ATOM 0 HA VAL A 19 1.651 -6.673 4.962 1.00 0.00 H new ATOM 0 HB VAL A 19 4.181 -8.355 4.723 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.455 -8.712 2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.277 -9.358 3.566 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.953 -7.818 2.734 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.838 -6.749 2.977 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.395 -5.772 3.338 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.668 -5.965 4.566 1.00 0.00 H new ATOM 263 N GLY A 20 0.600 -8.911 5.422 1.00 0.00 N ATOM 264 CA GLY A 20 -0.101 -10.099 5.873 1.00 0.00 C ATOM 265 C GLY A 20 -1.388 -10.337 5.109 1.00 0.00 C ATOM 266 O GLY A 20 -2.275 -9.482 5.091 1.00 0.00 O ATOM 0 H GLY A 20 0.119 -8.379 4.697 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.550 -10.966 5.761 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.325 -10.004 6.935 1.00 0.00 H new ATOM 270 N TYR A 21 -1.492 -11.499 4.475 1.00 0.00 N ATOM 271 CA TYR A 21 -2.679 -11.845 3.702 1.00 0.00 C ATOM 272 C TYR A 21 -3.432 -13.003 4.350 1.00 0.00 C ATOM 273 O TYR A 21 -2.866 -14.069 4.590 1.00 0.00 O ATOM 274 CB TYR A 21 -2.290 -12.213 2.269 1.00 0.00 C ATOM 275 CG TYR A 21 -3.397 -12.898 1.499 1.00 0.00 C ATOM 276 CD1 TYR A 21 -3.613 -14.265 1.622 1.00 0.00 C ATOM 277 CD2 TYR A 21 -4.226 -12.178 0.648 1.00 0.00 C ATOM 278 CE1 TYR A 21 -4.622 -14.895 0.920 1.00 0.00 C ATOM 279 CE2 TYR A 21 -5.239 -12.799 -0.057 1.00 0.00 C ATOM 280 CZ TYR A 21 -5.432 -14.158 0.081 1.00 0.00 C ATOM 281 OH TYR A 21 -6.439 -14.781 -0.619 1.00 0.00 O ATOM 0 H TYR A 21 -0.768 -12.218 4.481 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.335 -10.975 3.681 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.995 -11.308 1.738 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.418 -12.866 2.294 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.981 -14.845 2.278 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.076 -11.114 0.536 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.776 -15.959 1.027 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.876 -12.224 -0.712 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.615 -14.288 -1.447 1.00 0.00 H new ATOM 291 N ASN A 22 -4.713 -12.785 4.629 1.00 0.00 N ATOM 292 CA ASN A 22 -5.546 -13.810 5.248 1.00 0.00 C ATOM 293 C ASN A 22 -6.002 -14.837 4.217 1.00 0.00 C ATOM 294 O ASN A 22 -6.262 -14.499 3.062 1.00 0.00 O ATOM 295 CB ASN A 22 -6.762 -13.170 5.921 1.00 0.00 C ATOM 296 CG ASN A 22 -7.426 -14.099 6.919 1.00 0.00 C ATOM 297 OD1 ASN A 22 -7.058 -15.268 7.035 1.00 0.00 O ATOM 298 ND2 ASN A 22 -8.410 -13.581 7.645 1.00 0.00 N ATOM 0 H ASN A 22 -5.197 -11.908 4.436 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.949 -14.321 6.003 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.454 -12.256 6.429 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.486 -12.882 5.159 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.894 -14.158 8.333 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.681 -12.606 7.515 1.00 0.00 H new ATOM 305 N PHE A 23 -6.098 -16.092 4.642 1.00 0.00 N ATOM 306 CA PHE A 23 -6.523 -17.169 3.756 1.00 0.00 C ATOM 307 C PHE A 23 -8.044 -17.284 3.729 1.00 0.00 C ATOM 308 O PHE A 23 -8.657 -17.287 2.662 1.00 0.00 O ATOM 309 CB PHE A 23 -5.907 -18.498 4.201 1.00 0.00 C ATOM 310 CG PHE A 23 -4.408 -18.520 4.124 1.00 0.00 C ATOM 311 CD1 PHE A 23 -3.764 -18.521 2.897 1.00 0.00 C ATOM 312 CD2 PHE A 23 -3.641 -18.538 5.278 1.00 0.00 C ATOM 313 CE1 PHE A 23 -2.384 -18.543 2.823 1.00 0.00 C ATOM 314 CE2 PHE A 23 -2.261 -18.559 5.210 1.00 0.00 C ATOM 315 CZ PHE A 23 -1.632 -18.560 3.981 1.00 0.00 C ATOM 0 H PHE A 23 -5.887 -16.388 5.595 1.00 0.00 H new ATOM 0 HA PHE A 23 -6.177 -16.935 2.749 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -6.213 -18.706 5.226 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -6.306 -19.300 3.580 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.347 -18.504 1.988 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.128 -18.536 6.242 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.894 -18.547 1.860 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.675 -18.575 6.117 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.554 -18.574 3.925 1.00 0.00 H new ATOM 325 N GLN A 24 -8.645 -17.379 4.911 1.00 0.00 N ATOM 326 CA GLN A 24 -10.094 -17.495 5.023 1.00 0.00 C ATOM 327 C GLN A 24 -10.788 -16.315 4.352 1.00 0.00 C ATOM 328 O GLN A 24 -11.606 -16.496 3.451 1.00 0.00 O ATOM 329 CB GLN A 24 -10.508 -17.576 6.494 1.00 0.00 C ATOM 330 CG GLN A 24 -10.300 -18.951 7.109 1.00 0.00 C ATOM 331 CD GLN A 24 -8.877 -19.168 7.584 1.00 0.00 C ATOM 332 OE1 GLN A 24 -8.317 -18.340 8.303 1.00 0.00 O ATOM 333 NE2 GLN A 24 -8.284 -20.287 7.185 1.00 0.00 N ATOM 0 H GLN A 24 -8.151 -17.378 5.804 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.400 -18.410 4.515 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -9.939 -16.842 7.064 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -11.559 -17.303 6.583 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.983 -19.076 7.949 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.555 -19.716 6.375 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.786 -20.946 6.589 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.327 -20.488 7.474 1.00 0.00 H new ATOM 342 N GLU A 25 -10.456 -15.107 4.798 1.00 0.00 N ATOM 343 CA GLU A 25 -11.050 -13.898 4.240 1.00 0.00 C ATOM 344 C GLU A 25 -10.493 -13.610 2.849 1.00 0.00 C ATOM 345 O GLU A 25 -11.003 -12.752 2.129 1.00 0.00 O ATOM 346 CB GLU A 25 -10.792 -12.704 5.162 1.00 0.00 C ATOM 347 CG GLU A 25 -11.781 -12.597 6.310 1.00 0.00 C ATOM 348 CD GLU A 25 -11.607 -11.322 7.112 1.00 0.00 C ATOM 349 OE1 GLU A 25 -11.423 -10.252 6.495 1.00 0.00 O ATOM 350 OE2 GLU A 25 -11.657 -11.394 8.358 1.00 0.00 O ATOM 0 H GLU A 25 -9.780 -14.940 5.543 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.125 -14.058 4.156 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.783 -12.781 5.568 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.830 -11.787 4.574 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.796 -12.638 5.915 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.661 -13.456 6.970 1.00 0.00 H new ATOM 357 N SER A 26 -9.442 -14.334 2.478 1.00 0.00 N ATOM 358 CA SER A 26 -8.811 -14.154 1.175 1.00 0.00 C ATOM 359 C SER A 26 -8.609 -12.673 0.869 1.00 0.00 C ATOM 360 O SER A 26 -9.000 -12.186 -0.192 1.00 0.00 O ATOM 361 CB SER A 26 -9.662 -14.801 0.080 1.00 0.00 C ATOM 362 OG SER A 26 -9.344 -16.174 -0.069 1.00 0.00 O ATOM 0 H SER A 26 -9.009 -15.051 3.061 1.00 0.00 H new ATOM 0 HA SER A 26 -7.835 -14.638 1.201 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.719 -14.694 0.325 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.500 -14.282 -0.865 1.00 0.00 H new ATOM 0 HG SER A 26 -9.132 -16.558 0.808 1.00 0.00 H new ATOM 368 N THR A 27 -7.993 -11.961 1.808 1.00 0.00 N ATOM 369 CA THR A 27 -7.738 -10.535 1.641 1.00 0.00 C ATOM 370 C THR A 27 -6.338 -10.167 2.120 1.00 0.00 C ATOM 371 O THR A 27 -5.790 -10.808 3.018 1.00 0.00 O ATOM 372 CB THR A 27 -8.770 -9.687 2.408 1.00 0.00 C ATOM 373 OG1 THR A 27 -10.096 -10.125 2.091 1.00 0.00 O ATOM 374 CG2 THR A 27 -8.622 -8.213 2.063 1.00 0.00 C ATOM 0 H THR A 27 -7.662 -12.348 2.692 1.00 0.00 H new ATOM 0 HA THR A 27 -7.822 -10.321 0.576 1.00 0.00 H new ATOM 0 HB THR A 27 -8.591 -9.814 3.476 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.195 -11.069 2.333 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.361 -7.634 2.616 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.621 -7.875 2.332 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.778 -8.072 0.993 1.00 0.00 H new ATOM 382 N LEU A 28 -5.765 -9.132 1.517 1.00 0.00 N ATOM 383 CA LEU A 28 -4.428 -8.678 1.883 1.00 0.00 C ATOM 384 C LEU A 28 -4.499 -7.474 2.818 1.00 0.00 C ATOM 385 O LEU A 28 -5.321 -6.576 2.631 1.00 0.00 O ATOM 386 CB LEU A 28 -3.630 -8.317 0.629 1.00 0.00 C ATOM 387 CG LEU A 28 -2.237 -7.733 0.865 1.00 0.00 C ATOM 388 CD1 LEU A 28 -1.232 -8.841 1.138 1.00 0.00 C ATOM 389 CD2 LEU A 28 -1.800 -6.896 -0.329 1.00 0.00 C ATOM 0 H LEU A 28 -6.205 -8.591 0.772 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.925 -9.492 2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.527 -9.213 0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.209 -7.599 0.048 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.279 -7.086 1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.246 -8.406 1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.536 -9.398 2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.192 -9.515 0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.806 -6.488 -0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.775 -7.521 -1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.505 -6.079 -0.478 1.00 0.00 H new ATOM 401 N THR A 29 -3.630 -7.461 3.824 1.00 0.00 N ATOM 402 CA THR A 29 -3.592 -6.368 4.787 1.00 0.00 C ATOM 403 C THR A 29 -2.225 -5.694 4.801 1.00 0.00 C ATOM 404 O THR A 29 -1.223 -6.308 5.169 1.00 0.00 O ATOM 405 CB THR A 29 -3.925 -6.860 6.208 1.00 0.00 C ATOM 406 OG1 THR A 29 -5.246 -7.411 6.239 1.00 0.00 O ATOM 407 CG2 THR A 29 -3.820 -5.722 7.213 1.00 0.00 C ATOM 0 H THR A 29 -2.943 -8.196 3.993 1.00 0.00 H new ATOM 0 HA THR A 29 -4.346 -5.645 4.475 1.00 0.00 H new ATOM 0 HB THR A 29 -3.204 -7.631 6.480 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.449 -7.723 7.146 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.060 -6.093 8.209 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.805 -5.325 7.208 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.520 -4.932 6.942 1.00 0.00 H new ATOM 415 N VAL A 30 -2.190 -4.427 4.399 1.00 0.00 N ATOM 416 CA VAL A 30 -0.945 -3.669 4.368 1.00 0.00 C ATOM 417 C VAL A 30 -1.025 -2.443 5.270 1.00 0.00 C ATOM 418 O VAL A 30 -1.618 -1.427 4.905 1.00 0.00 O ATOM 419 CB VAL A 30 -0.598 -3.218 2.936 1.00 0.00 C ATOM 420 CG1 VAL A 30 0.702 -2.430 2.925 1.00 0.00 C ATOM 421 CG2 VAL A 30 -0.512 -4.419 2.006 1.00 0.00 C ATOM 0 H VAL A 30 -3.010 -3.904 4.090 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.161 -4.333 4.732 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.393 -2.565 2.576 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.931 -2.120 1.905 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.599 -1.549 3.558 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.510 -3.056 3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.266 -4.082 0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.263 -5.099 2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.471 -4.937 1.991 1.00 0.00 H new ATOM 431 N LYS A 31 -0.424 -2.544 6.451 1.00 0.00 N ATOM 432 CA LYS A 31 -0.425 -1.443 7.406 1.00 0.00 C ATOM 433 C LYS A 31 0.857 -0.624 7.294 1.00 0.00 C ATOM 434 O LYS A 31 1.959 -1.164 7.389 1.00 0.00 O ATOM 435 CB LYS A 31 -0.579 -1.978 8.832 1.00 0.00 C ATOM 436 CG LYS A 31 -0.037 -1.038 9.896 1.00 0.00 C ATOM 437 CD LYS A 31 -0.628 -1.343 11.262 1.00 0.00 C ATOM 438 CE LYS A 31 -1.940 -0.605 11.479 1.00 0.00 C ATOM 439 NZ LYS A 31 -2.764 -1.240 12.544 1.00 0.00 N ATOM 0 H LYS A 31 0.070 -3.378 6.769 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.270 -0.795 7.174 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.635 -2.166 9.029 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.065 -2.936 8.909 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.049 -1.125 9.941 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.264 -0.008 9.622 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.793 -2.416 11.357 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.083 -1.060 12.039 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.734 0.431 11.749 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.504 -0.585 10.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.650 -0.708 12.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.983 -2.221 12.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.236 -1.236 13.440 1.00 0.00 H new ATOM 453 N ILE A 32 0.705 0.681 7.094 1.00 0.00 N ATOM 454 CA ILE A 32 1.851 1.573 6.972 1.00 0.00 C ATOM 455 C ILE A 32 2.146 2.272 8.295 1.00 0.00 C ATOM 456 O ILE A 32 1.642 3.364 8.558 1.00 0.00 O ATOM 457 CB ILE A 32 1.622 2.637 5.882 1.00 0.00 C ATOM 458 CG1 ILE A 32 1.174 1.974 4.578 1.00 0.00 C ATOM 459 CG2 ILE A 32 2.890 3.450 5.662 1.00 0.00 C ATOM 460 CD1 ILE A 32 2.208 1.040 3.989 1.00 0.00 C ATOM 0 H ILE A 32 -0.200 1.144 7.013 1.00 0.00 H new ATOM 0 HA ILE A 32 2.704 0.955 6.692 1.00 0.00 H new ATOM 0 HB ILE A 32 0.833 3.313 6.213 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.255 1.417 4.760 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.938 2.749 3.848 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.713 4.198 4.889 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.169 3.947 6.591 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.697 2.788 5.348 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.823 0.606 3.066 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.121 1.596 3.775 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.427 0.244 4.701 1.00 0.00 H new ATOM 472 N MET A 33 2.968 1.636 9.124 1.00 0.00 N ATOM 473 CA MET A 33 3.333 2.199 10.418 1.00 0.00 C ATOM 474 C MET A 33 3.573 3.701 10.310 1.00 0.00 C ATOM 475 O MET A 33 2.740 4.505 10.731 1.00 0.00 O ATOM 476 CB MET A 33 4.586 1.509 10.963 1.00 0.00 C ATOM 477 CG MET A 33 4.424 0.008 11.139 1.00 0.00 C ATOM 478 SD MET A 33 3.823 -0.438 12.780 1.00 0.00 S ATOM 479 CE MET A 33 3.730 -2.221 12.633 1.00 0.00 C ATOM 0 H MET A 33 3.393 0.731 8.922 1.00 0.00 H new ATOM 0 HA MET A 33 2.505 2.030 11.106 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.419 1.700 10.287 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.847 1.953 11.923 1.00 0.00 H new ATOM 0 HG2 MET A 33 3.731 -0.369 10.387 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.382 -0.480 10.962 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.373 -2.645 13.571 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.041 -2.484 11.830 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.719 -2.620 12.408 1.00 0.00 H new ATOM 489 N LYS A 34 4.716 4.075 9.745 1.00 0.00 N ATOM 490 CA LYS A 34 5.065 5.481 9.580 1.00 0.00 C ATOM 491 C LYS A 34 6.367 5.630 8.800 1.00 0.00 C ATOM 492 O LYS A 34 7.036 4.643 8.496 1.00 0.00 O ATOM 493 CB LYS A 34 5.196 6.158 10.946 1.00 0.00 C ATOM 494 CG LYS A 34 6.331 5.607 11.792 1.00 0.00 C ATOM 495 CD LYS A 34 6.084 4.159 12.181 1.00 0.00 C ATOM 496 CE LYS A 34 7.009 3.718 13.304 1.00 0.00 C ATOM 497 NZ LYS A 34 6.848 4.562 14.520 1.00 0.00 N ATOM 0 H LYS A 34 5.417 3.423 9.393 1.00 0.00 H new ATOM 0 HA LYS A 34 4.267 5.965 9.016 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.350 7.227 10.799 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.259 6.043 11.491 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.267 5.682 11.239 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.443 6.212 12.691 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.047 4.037 12.493 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.233 3.517 11.313 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.805 2.677 13.555 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.043 3.767 12.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.218 4.052 15.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.374 5.451 14.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.840 4.773 14.665 1.00 0.00 H new ATOM 511 N ALA A 35 6.720 6.870 8.479 1.00 0.00 N ATOM 512 CA ALA A 35 7.944 7.149 7.738 1.00 0.00 C ATOM 513 C ALA A 35 8.999 7.783 8.637 1.00 0.00 C ATOM 514 O ALA A 35 8.696 8.233 9.742 1.00 0.00 O ATOM 515 CB ALA A 35 7.648 8.052 6.550 1.00 0.00 C ATOM 0 H ALA A 35 6.175 7.698 8.721 1.00 0.00 H new ATOM 0 HA ALA A 35 8.340 6.202 7.371 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.571 8.252 6.006 1.00 0.00 H new ATOM 0 HB2 ALA A 35 6.936 7.560 5.888 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.225 8.992 6.904 1.00 0.00 H new ATOM 521 N GLN A 36 10.238 7.815 8.157 1.00 0.00 N ATOM 522 CA GLN A 36 11.338 8.393 8.920 1.00 0.00 C ATOM 523 C GLN A 36 12.505 8.751 8.006 1.00 0.00 C ATOM 524 O GLN A 36 12.709 8.120 6.970 1.00 0.00 O ATOM 525 CB GLN A 36 11.803 7.419 10.004 1.00 0.00 C ATOM 526 CG GLN A 36 10.711 7.042 10.992 1.00 0.00 C ATOM 527 CD GLN A 36 11.235 6.227 12.158 1.00 0.00 C ATOM 528 OE1 GLN A 36 12.444 6.133 12.371 1.00 0.00 O ATOM 529 NE2 GLN A 36 10.326 5.631 12.920 1.00 0.00 N ATOM 0 H GLN A 36 10.505 7.448 7.244 1.00 0.00 H new ATOM 0 HA GLN A 36 10.978 9.306 9.394 1.00 0.00 H new ATOM 0 HB2 GLN A 36 12.180 6.513 9.529 1.00 0.00 H new ATOM 0 HB3 GLN A 36 12.636 7.865 10.548 1.00 0.00 H new ATOM 0 HG2 GLN A 36 10.240 7.949 11.370 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.938 6.473 10.474 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.334 5.736 12.707 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.620 5.068 13.719 1.00 0.00 H new ATOM 538 N GLU A 37 13.268 9.767 8.398 1.00 0.00 N ATOM 539 CA GLU A 37 14.414 10.208 7.613 1.00 0.00 C ATOM 540 C GLU A 37 13.977 10.679 6.228 1.00 0.00 C ATOM 541 O GLU A 37 14.655 10.427 5.231 1.00 0.00 O ATOM 542 CB GLU A 37 15.436 9.077 7.479 1.00 0.00 C ATOM 543 CG GLU A 37 16.128 8.725 8.785 1.00 0.00 C ATOM 544 CD GLU A 37 17.324 7.815 8.585 1.00 0.00 C ATOM 545 OE1 GLU A 37 17.123 6.655 8.169 1.00 0.00 O ATOM 546 OE2 GLU A 37 18.461 8.263 8.844 1.00 0.00 O ATOM 0 H GLU A 37 13.113 10.299 9.254 1.00 0.00 H new ATOM 0 HA GLU A 37 14.877 11.046 8.134 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.935 8.190 7.092 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.189 9.364 6.744 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.452 9.641 9.279 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.414 8.240 9.451 1.00 0.00 H new ATOM 553 N LEU A 38 12.839 11.362 6.175 1.00 0.00 N ATOM 554 CA LEU A 38 12.309 11.868 4.913 1.00 0.00 C ATOM 555 C LEU A 38 12.844 13.266 4.619 1.00 0.00 C ATOM 556 O LEU A 38 12.842 14.151 5.475 1.00 0.00 O ATOM 557 CB LEU A 38 10.780 11.893 4.953 1.00 0.00 C ATOM 558 CG LEU A 38 10.088 10.533 5.043 1.00 0.00 C ATOM 559 CD1 LEU A 38 8.586 10.684 4.863 1.00 0.00 C ATOM 560 CD2 LEU A 38 10.658 9.575 4.007 1.00 0.00 C ATOM 0 H LEU A 38 12.266 11.578 6.990 1.00 0.00 H new ATOM 0 HA LEU A 38 12.635 11.199 4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.469 12.494 5.808 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.422 12.402 4.058 1.00 0.00 H new ATOM 0 HG LEU A 38 10.274 10.118 6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.111 9.705 4.930 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.190 11.334 5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.379 11.121 3.886 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.154 8.612 4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.504 9.985 3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.725 9.441 4.184 1.00 0.00 H new ATOM 572 N PRO A 39 13.313 13.471 3.379 1.00 0.00 N ATOM 573 CA PRO A 39 13.858 14.760 2.943 1.00 0.00 C ATOM 574 C PRO A 39 12.781 15.833 2.819 1.00 0.00 C ATOM 575 O PRO A 39 11.598 15.564 3.024 1.00 0.00 O ATOM 576 CB PRO A 39 14.458 14.445 1.570 1.00 0.00 C ATOM 577 CG PRO A 39 13.692 13.264 1.084 1.00 0.00 C ATOM 578 CD PRO A 39 13.347 12.462 2.308 1.00 0.00 C ATOM 0 HA PRO A 39 14.578 15.160 3.657 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.356 15.291 0.890 1.00 0.00 H new ATOM 0 HB3 PRO A 39 15.523 14.223 1.645 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.791 13.574 0.554 1.00 0.00 H new ATOM 0 HG3 PRO A 39 14.286 12.674 0.386 1.00 0.00 H new ATOM 0 HD2 PRO A 39 12.387 11.958 2.200 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.091 11.691 2.506 1.00 0.00 H new ATOM 586 N ALA A 40 13.199 17.048 2.482 1.00 0.00 N ATOM 587 CA ALA A 40 12.269 18.161 2.328 1.00 0.00 C ATOM 588 C ALA A 40 12.419 18.816 0.960 1.00 0.00 C ATOM 589 O ALA A 40 13.383 19.539 0.708 1.00 0.00 O ATOM 590 CB ALA A 40 12.484 19.185 3.433 1.00 0.00 C ATOM 0 H ALA A 40 14.176 17.287 2.310 1.00 0.00 H new ATOM 0 HA ALA A 40 11.255 17.769 2.404 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.783 20.010 3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.318 18.715 4.402 1.00 0.00 H new ATOM 0 HB3 ALA A 40 13.505 19.565 3.384 1.00 0.00 H new ATOM 668 N THR A 46 10.056 21.519 5.052 1.00 0.00 N ATOM 669 CA THR A 46 9.024 20.513 5.268 1.00 0.00 C ATOM 670 C THR A 46 8.302 20.178 3.968 1.00 0.00 C ATOM 671 O THR A 46 8.468 20.865 2.960 1.00 0.00 O ATOM 672 CB THR A 46 7.990 20.983 6.309 1.00 0.00 C ATOM 673 OG1 THR A 46 7.113 19.904 6.650 1.00 0.00 O ATOM 674 CG2 THR A 46 7.179 22.154 5.775 1.00 0.00 C ATOM 0 HA THR A 46 9.526 19.621 5.642 1.00 0.00 H new ATOM 0 HB THR A 46 8.526 21.310 7.200 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.934 19.920 7.613 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.456 22.469 6.527 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.847 22.984 5.544 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.653 21.850 4.870 1.00 0.00 H new ATOM 682 N SER A 47 7.501 19.118 3.998 1.00 0.00 N ATOM 683 CA SER A 47 6.756 18.690 2.819 1.00 0.00 C ATOM 684 C SER A 47 5.589 17.788 3.212 1.00 0.00 C ATOM 685 O SER A 47 5.432 17.432 4.380 1.00 0.00 O ATOM 686 CB SER A 47 7.679 17.954 1.846 1.00 0.00 C ATOM 687 OG SER A 47 8.394 18.867 1.032 1.00 0.00 O ATOM 0 H SER A 47 7.351 18.540 4.825 1.00 0.00 H new ATOM 0 HA SER A 47 6.357 19.578 2.329 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.380 17.333 2.404 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.091 17.285 1.218 1.00 0.00 H new ATOM 0 HG SER A 47 8.449 19.735 1.484 1.00 0.00 H new ATOM 693 N ASP A 48 4.775 17.423 2.229 1.00 0.00 N ATOM 694 CA ASP A 48 3.623 16.562 2.470 1.00 0.00 C ATOM 695 C ASP A 48 3.849 15.173 1.880 1.00 0.00 C ATOM 696 O ASP A 48 3.390 14.856 0.783 1.00 0.00 O ATOM 697 CB ASP A 48 2.360 17.184 1.872 1.00 0.00 C ATOM 698 CG ASP A 48 2.570 17.667 0.450 1.00 0.00 C ATOM 699 OD1 ASP A 48 2.598 16.820 -0.466 1.00 0.00 O ATOM 700 OD2 ASP A 48 2.708 18.893 0.254 1.00 0.00 O ATOM 0 H ASP A 48 4.891 17.710 1.257 1.00 0.00 H new ATOM 0 HA ASP A 48 3.495 16.463 3.548 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.554 16.450 1.888 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.041 18.021 2.494 1.00 0.00 H new ATOM 705 N PRO A 49 4.575 14.325 2.623 1.00 0.00 N ATOM 706 CA PRO A 49 4.879 12.957 2.194 1.00 0.00 C ATOM 707 C PRO A 49 3.646 12.060 2.198 1.00 0.00 C ATOM 708 O PRO A 49 2.689 12.308 2.932 1.00 0.00 O ATOM 709 CB PRO A 49 5.894 12.476 3.234 1.00 0.00 C ATOM 710 CG PRO A 49 5.612 13.296 4.446 1.00 0.00 C ATOM 711 CD PRO A 49 5.154 14.636 3.941 1.00 0.00 C ATOM 0 HA PRO A 49 5.250 12.925 1.170 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.776 11.412 3.440 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.917 12.622 2.886 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.845 12.829 5.064 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.503 13.396 5.066 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.418 15.086 4.607 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.983 15.339 3.860 1.00 0.00 H new ATOM 719 N PHE A 50 3.676 11.017 1.375 1.00 0.00 N ATOM 720 CA PHE A 50 2.560 10.083 1.284 1.00 0.00 C ATOM 721 C PHE A 50 3.003 8.765 0.656 1.00 0.00 C ATOM 722 O PHE A 50 3.848 8.744 -0.239 1.00 0.00 O ATOM 723 CB PHE A 50 1.421 10.694 0.465 1.00 0.00 C ATOM 724 CG PHE A 50 1.611 10.557 -1.019 1.00 0.00 C ATOM 725 CD1 PHE A 50 1.305 9.369 -1.663 1.00 0.00 C ATOM 726 CD2 PHE A 50 2.094 11.616 -1.770 1.00 0.00 C ATOM 727 CE1 PHE A 50 1.478 9.239 -3.028 1.00 0.00 C ATOM 728 CE2 PHE A 50 2.268 11.493 -3.135 1.00 0.00 C ATOM 729 CZ PHE A 50 1.961 10.303 -3.765 1.00 0.00 C ATOM 0 H PHE A 50 4.461 10.797 0.762 1.00 0.00 H new ATOM 0 HA PHE A 50 2.204 9.882 2.295 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.483 10.217 0.749 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.330 11.751 0.716 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.927 8.534 -1.091 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.337 12.549 -1.283 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.236 8.307 -3.518 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.644 12.327 -3.709 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.098 10.204 -4.832 1.00 0.00 H new ATOM 739 N VAL A 51 2.428 7.666 1.133 1.00 0.00 N ATOM 740 CA VAL A 51 2.763 6.343 0.619 1.00 0.00 C ATOM 741 C VAL A 51 1.850 5.957 -0.539 1.00 0.00 C ATOM 742 O VAL A 51 0.658 6.264 -0.534 1.00 0.00 O ATOM 743 CB VAL A 51 2.659 5.271 1.720 1.00 0.00 C ATOM 744 CG1 VAL A 51 3.283 3.964 1.253 1.00 0.00 C ATOM 745 CG2 VAL A 51 3.319 5.758 3.001 1.00 0.00 C ATOM 0 H VAL A 51 1.728 7.665 1.875 1.00 0.00 H new ATOM 0 HA VAL A 51 3.793 6.391 0.265 1.00 0.00 H new ATOM 0 HB VAL A 51 1.605 5.089 1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.200 3.218 2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.762 3.609 0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.334 4.127 1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.236 4.988 3.768 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.371 5.969 2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.823 6.666 3.343 1.00 0.00 H new ATOM 755 N LYS A 52 2.417 5.280 -1.532 1.00 0.00 N ATOM 756 CA LYS A 52 1.655 4.848 -2.698 1.00 0.00 C ATOM 757 C LYS A 52 1.732 3.334 -2.868 1.00 0.00 C ATOM 758 O LYS A 52 2.800 2.785 -3.140 1.00 0.00 O ATOM 759 CB LYS A 52 2.177 5.541 -3.958 1.00 0.00 C ATOM 760 CG LYS A 52 1.238 5.429 -5.147 1.00 0.00 C ATOM 761 CD LYS A 52 1.860 6.010 -6.406 1.00 0.00 C ATOM 762 CE LYS A 52 1.847 7.530 -6.384 1.00 0.00 C ATOM 763 NZ LYS A 52 1.871 8.105 -7.758 1.00 0.00 N ATOM 0 H LYS A 52 3.403 5.018 -1.553 1.00 0.00 H new ATOM 0 HA LYS A 52 0.612 5.125 -2.543 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.348 6.595 -3.739 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.142 5.111 -4.226 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.985 4.382 -5.315 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.306 5.950 -4.926 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.886 5.655 -6.503 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.315 5.653 -7.280 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.957 7.878 -5.860 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.709 7.892 -5.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.861 9.143 -7.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.733 7.794 -8.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.035 7.780 -8.285 1.00 0.00 H new ATOM 777 N ILE A 53 0.594 2.667 -2.707 1.00 0.00 N ATOM 778 CA ILE A 53 0.533 1.217 -2.845 1.00 0.00 C ATOM 779 C ILE A 53 0.192 0.816 -4.276 1.00 0.00 C ATOM 780 O ILE A 53 -0.704 1.390 -4.896 1.00 0.00 O ATOM 781 CB ILE A 53 -0.507 0.604 -1.890 1.00 0.00 C ATOM 782 CG1 ILE A 53 -0.189 0.985 -0.442 1.00 0.00 C ATOM 783 CG2 ILE A 53 -0.544 -0.909 -2.048 1.00 0.00 C ATOM 784 CD1 ILE A 53 -1.407 1.021 0.454 1.00 0.00 C ATOM 0 H ILE A 53 -0.298 3.107 -2.481 1.00 0.00 H new ATOM 0 HA ILE A 53 1.520 0.833 -2.588 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.490 1.001 -2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.529 0.273 -0.037 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.291 1.964 -0.429 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.284 -1.328 -1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.812 -1.161 -3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.438 -1.323 -1.817 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.107 1.298 1.465 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.118 1.754 0.073 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.875 0.037 0.471 1.00 0.00 H new ATOM 796 N TYR A 54 0.910 -0.174 -4.794 1.00 0.00 N ATOM 797 CA TYR A 54 0.684 -0.653 -6.153 1.00 0.00 C ATOM 798 C TYR A 54 1.005 -2.140 -6.267 1.00 0.00 C ATOM 799 O TYR A 54 2.108 -2.576 -5.932 1.00 0.00 O ATOM 800 CB TYR A 54 1.534 0.142 -7.145 1.00 0.00 C ATOM 801 CG TYR A 54 0.823 1.343 -7.726 1.00 0.00 C ATOM 802 CD1 TYR A 54 0.586 2.475 -6.956 1.00 0.00 C ATOM 803 CD2 TYR A 54 0.388 1.345 -9.046 1.00 0.00 C ATOM 804 CE1 TYR A 54 -0.065 3.574 -7.484 1.00 0.00 C ATOM 805 CE2 TYR A 54 -0.262 2.440 -9.582 1.00 0.00 C ATOM 806 CZ TYR A 54 -0.486 3.552 -8.797 1.00 0.00 C ATOM 807 OH TYR A 54 -1.133 4.645 -9.326 1.00 0.00 O ATOM 0 H TYR A 54 1.654 -0.661 -4.294 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.370 -0.508 -6.391 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.444 0.476 -6.645 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.840 -0.517 -7.958 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.916 2.497 -5.928 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.561 0.476 -9.663 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.243 4.445 -6.871 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.593 2.425 -10.610 1.00 0.00 H new ATOM 0 HH TYR A 54 -1.362 4.468 -10.262 1.00 0.00 H new ATOM 817 N LEU A 55 0.036 -2.913 -6.743 1.00 0.00 N ATOM 818 CA LEU A 55 0.215 -4.352 -6.904 1.00 0.00 C ATOM 819 C LEU A 55 0.680 -4.689 -8.317 1.00 0.00 C ATOM 820 O LEU A 55 -0.132 -4.975 -9.198 1.00 0.00 O ATOM 821 CB LEU A 55 -1.092 -5.085 -6.597 1.00 0.00 C ATOM 822 CG LEU A 55 -1.299 -5.508 -5.142 1.00 0.00 C ATOM 823 CD1 LEU A 55 -2.613 -6.257 -4.984 1.00 0.00 C ATOM 824 CD2 LEU A 55 -0.135 -6.365 -4.665 1.00 0.00 C ATOM 0 H LEU A 55 -0.882 -2.568 -7.024 1.00 0.00 H new ATOM 0 HA LEU A 55 0.982 -4.679 -6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.923 -4.443 -6.889 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.142 -5.975 -7.224 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.341 -4.610 -4.526 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.742 -6.550 -3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.438 -5.611 -5.285 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.602 -7.148 -5.612 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.299 -6.657 -3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.062 -7.258 -5.286 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.791 -5.795 -4.739 1.00 0.00 H new ATOM 836 N LEU A 56 1.991 -4.655 -8.526 1.00 0.00 N ATOM 837 CA LEU A 56 2.566 -4.959 -9.832 1.00 0.00 C ATOM 838 C LEU A 56 2.524 -6.459 -10.110 1.00 0.00 C ATOM 839 O LEU A 56 2.561 -7.285 -9.198 1.00 0.00 O ATOM 840 CB LEU A 56 4.008 -4.455 -9.907 1.00 0.00 C ATOM 841 CG LEU A 56 4.276 -3.092 -9.269 1.00 0.00 C ATOM 842 CD1 LEU A 56 5.698 -3.024 -8.733 1.00 0.00 C ATOM 843 CD2 LEU A 56 4.028 -1.975 -10.272 1.00 0.00 C ATOM 0 H LEU A 56 2.676 -4.420 -7.808 1.00 0.00 H new ATOM 0 HA LEU A 56 1.971 -4.451 -10.590 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.654 -5.191 -9.429 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.301 -4.407 -10.956 1.00 0.00 H new ATOM 0 HG LEU A 56 3.588 -2.962 -8.434 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.871 -2.047 -8.283 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.841 -3.800 -7.981 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.403 -3.176 -9.551 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.224 -1.012 -9.800 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.691 -2.101 -11.128 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.991 -2.011 -10.607 1.00 0.00 H new ATOM 855 N PRO A 57 2.447 -6.820 -11.399 1.00 0.00 N ATOM 856 CA PRO A 57 2.402 -5.846 -12.493 1.00 0.00 C ATOM 857 C PRO A 57 1.086 -5.075 -12.529 1.00 0.00 C ATOM 858 O PRO A 57 1.054 -3.899 -12.890 1.00 0.00 O ATOM 859 CB PRO A 57 2.548 -6.712 -13.747 1.00 0.00 C ATOM 860 CG PRO A 57 2.042 -8.053 -13.341 1.00 0.00 C ATOM 861 CD PRO A 57 2.398 -8.208 -11.888 1.00 0.00 C ATOM 0 HA PRO A 57 3.175 -5.085 -12.392 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.971 -6.306 -14.578 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.586 -6.763 -14.074 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.964 -8.124 -13.488 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.499 -8.840 -13.941 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.653 -8.797 -11.352 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.355 -8.713 -11.760 1.00 0.00 H new ATOM 869 N ASP A 58 0.003 -5.746 -12.153 1.00 0.00 N ATOM 870 CA ASP A 58 -1.316 -5.124 -12.141 1.00 0.00 C ATOM 871 C ASP A 58 -1.213 -3.638 -11.809 1.00 0.00 C ATOM 872 O ASP A 58 -0.924 -3.263 -10.672 1.00 0.00 O ATOM 873 CB ASP A 58 -2.224 -5.823 -11.128 1.00 0.00 C ATOM 874 CG ASP A 58 -3.693 -5.693 -11.481 1.00 0.00 C ATOM 875 OD1 ASP A 58 -4.166 -4.549 -11.642 1.00 0.00 O ATOM 876 OD2 ASP A 58 -4.369 -6.737 -11.597 1.00 0.00 O ATOM 0 H ASP A 58 0.012 -6.721 -11.852 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.748 -5.227 -13.136 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.958 -6.879 -11.074 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.052 -5.400 -10.138 1.00 0.00 H new ATOM 881 N LYS A 59 -1.449 -2.796 -12.809 1.00 0.00 N ATOM 882 CA LYS A 59 -1.383 -1.351 -12.626 1.00 0.00 C ATOM 883 C LYS A 59 -2.770 -0.725 -12.735 1.00 0.00 C ATOM 884 O LYS A 59 -2.903 0.472 -12.991 1.00 0.00 O ATOM 885 CB LYS A 59 -0.446 -0.727 -13.662 1.00 0.00 C ATOM 886 CG LYS A 59 1.018 -1.065 -13.441 1.00 0.00 C ATOM 887 CD LYS A 59 1.928 0.043 -13.942 1.00 0.00 C ATOM 888 CE LYS A 59 3.395 -0.314 -13.756 1.00 0.00 C ATOM 889 NZ LYS A 59 3.852 -1.319 -14.756 1.00 0.00 N ATOM 0 H LYS A 59 -1.688 -3.090 -13.756 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.992 -1.154 -11.628 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.742 -1.063 -14.656 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.567 0.356 -13.643 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.197 -1.232 -12.379 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.259 -1.995 -13.955 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.729 0.230 -14.997 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.707 0.967 -13.408 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.002 0.587 -13.843 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.549 -0.706 -12.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.856 -1.536 -14.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.290 -2.188 -14.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.729 -0.935 -15.715 1.00 0.00 H new ATOM 903 N LYS A 60 -3.800 -1.541 -12.540 1.00 0.00 N ATOM 904 CA LYS A 60 -5.177 -1.068 -12.614 1.00 0.00 C ATOM 905 C LYS A 60 -5.682 -0.647 -11.238 1.00 0.00 C ATOM 906 O LYS A 60 -5.963 0.528 -11.001 1.00 0.00 O ATOM 907 CB LYS A 60 -6.082 -2.158 -13.190 1.00 0.00 C ATOM 908 CG LYS A 60 -7.499 -1.687 -13.471 1.00 0.00 C ATOM 909 CD LYS A 60 -8.336 -2.784 -14.106 1.00 0.00 C ATOM 910 CE LYS A 60 -9.448 -2.208 -14.970 1.00 0.00 C ATOM 911 NZ LYS A 60 -10.692 -1.972 -14.187 1.00 0.00 N ATOM 0 H LYS A 60 -3.707 -2.535 -12.329 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.202 -0.199 -13.272 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.642 -2.532 -14.115 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.118 -2.995 -12.492 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.967 -1.363 -12.541 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.471 -0.821 -14.132 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.697 -3.425 -14.713 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.768 -3.411 -13.326 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.114 -1.270 -15.414 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.660 -2.892 -15.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.426 -1.579 -14.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.025 -2.871 -13.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.496 -1.300 -13.418 1.00 0.00 H new ATOM 925 N HIS A 61 -5.795 -1.614 -10.332 1.00 0.00 N ATOM 926 CA HIS A 61 -6.264 -1.343 -8.978 1.00 0.00 C ATOM 927 C HIS A 61 -5.102 -0.961 -8.066 1.00 0.00 C ATOM 928 O HIS A 61 -4.319 -1.815 -7.650 1.00 0.00 O ATOM 929 CB HIS A 61 -6.991 -2.564 -8.414 1.00 0.00 C ATOM 930 CG HIS A 61 -8.405 -2.692 -8.890 1.00 0.00 C ATOM 931 ND1 HIS A 61 -9.492 -2.317 -8.129 1.00 0.00 N ATOM 932 CD2 HIS A 61 -8.908 -3.157 -10.058 1.00 0.00 C ATOM 933 CE1 HIS A 61 -10.602 -2.546 -8.808 1.00 0.00 C ATOM 934 NE2 HIS A 61 -10.275 -3.056 -9.982 1.00 0.00 N ATOM 0 H HIS A 61 -5.568 -2.592 -10.512 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.959 -0.504 -9.022 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -6.441 -3.464 -8.690 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.986 -2.509 -7.325 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -8.339 -3.537 -10.894 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -11.606 -2.350 -8.462 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -10.931 -3.330 -10.713 1.00 0.00 H new ATOM 943 N LYS A 62 -4.996 0.327 -7.760 1.00 0.00 N ATOM 944 CA LYS A 62 -3.930 0.823 -6.897 1.00 0.00 C ATOM 945 C LYS A 62 -4.505 1.545 -5.682 1.00 0.00 C ATOM 946 O LYS A 62 -5.623 2.060 -5.725 1.00 0.00 O ATOM 947 CB LYS A 62 -3.013 1.768 -7.677 1.00 0.00 C ATOM 948 CG LYS A 62 -3.626 3.132 -7.939 1.00 0.00 C ATOM 949 CD LYS A 62 -4.360 3.167 -9.269 1.00 0.00 C ATOM 950 CE LYS A 62 -5.247 4.398 -9.384 1.00 0.00 C ATOM 951 NZ LYS A 62 -4.453 5.630 -9.645 1.00 0.00 N ATOM 0 H LYS A 62 -5.635 1.047 -8.097 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.350 -0.032 -6.549 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.083 1.897 -7.123 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.755 1.306 -8.630 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.317 3.382 -7.134 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.843 3.891 -7.934 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.637 3.160 -10.085 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.968 2.268 -9.374 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.967 4.253 -10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.818 4.522 -8.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.093 6.447 -9.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.783 5.783 -8.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.928 5.522 -10.536 1.00 0.00 H new ATOM 965 N LEU A 63 -3.735 1.579 -4.601 1.00 0.00 N ATOM 966 CA LEU A 63 -4.167 2.239 -3.374 1.00 0.00 C ATOM 967 C LEU A 63 -3.069 3.145 -2.827 1.00 0.00 C ATOM 968 O LEU A 63 -1.891 2.965 -3.136 1.00 0.00 O ATOM 969 CB LEU A 63 -4.556 1.199 -2.322 1.00 0.00 C ATOM 970 CG LEU A 63 -5.624 1.630 -1.315 1.00 0.00 C ATOM 971 CD1 LEU A 63 -6.755 2.364 -2.018 1.00 0.00 C ATOM 972 CD2 LEU A 63 -6.158 0.424 -0.556 1.00 0.00 C ATOM 0 H LEU A 63 -2.808 1.157 -4.549 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.036 2.853 -3.608 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.910 0.306 -2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.659 0.915 -1.771 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.167 2.312 -0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.505 2.663 -1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.360 3.250 -2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.212 1.706 -2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.917 0.749 0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.599 -0.282 -1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.341 -0.060 -0.020 1.00 0.00 H new ATOM 984 N GLU A 64 -3.463 4.119 -2.012 1.00 0.00 N ATOM 985 CA GLU A 64 -2.511 5.052 -1.421 1.00 0.00 C ATOM 986 C GLU A 64 -2.942 5.450 -0.013 1.00 0.00 C ATOM 987 O GLU A 64 -4.049 5.134 0.424 1.00 0.00 O ATOM 988 CB GLU A 64 -2.376 6.300 -2.297 1.00 0.00 C ATOM 989 CG GLU A 64 -1.820 6.014 -3.682 1.00 0.00 C ATOM 990 CD GLU A 64 -2.888 5.558 -4.656 1.00 0.00 C ATOM 991 OE1 GLU A 64 -4.010 6.105 -4.604 1.00 0.00 O ATOM 992 OE2 GLU A 64 -2.603 4.655 -5.470 1.00 0.00 O ATOM 0 H GLU A 64 -4.434 4.282 -1.746 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.544 4.554 -1.359 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.354 6.771 -2.397 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.727 7.017 -1.795 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.340 6.913 -4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.049 5.247 -3.609 1.00 0.00 H new ATOM 999 N THR A 65 -2.058 6.146 0.696 1.00 0.00 N ATOM 1000 CA THR A 65 -2.344 6.586 2.056 1.00 0.00 C ATOM 1001 C THR A 65 -2.592 8.089 2.106 1.00 0.00 C ATOM 1002 O THR A 65 -2.223 8.821 1.187 1.00 0.00 O ATOM 1003 CB THR A 65 -1.191 6.234 3.015 1.00 0.00 C ATOM 1004 OG1 THR A 65 0.033 6.805 2.539 1.00 0.00 O ATOM 1005 CG2 THR A 65 -1.037 4.726 3.146 1.00 0.00 C ATOM 0 H THR A 65 -1.137 6.417 0.350 1.00 0.00 H new ATOM 0 HA THR A 65 -3.244 6.061 2.376 1.00 0.00 H new ATOM 0 HB THR A 65 -1.425 6.645 3.997 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.622 6.995 3.299 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.217 4.502 3.828 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.961 4.298 3.536 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.823 4.296 2.168 1.00 0.00 H new ATOM 1013 N LYS A 66 -3.218 8.545 3.186 1.00 0.00 N ATOM 1014 CA LYS A 66 -3.513 9.962 3.359 1.00 0.00 C ATOM 1015 C LYS A 66 -2.269 10.811 3.118 1.00 0.00 C ATOM 1016 O LYS A 66 -1.182 10.283 2.879 1.00 0.00 O ATOM 1017 CB LYS A 66 -4.057 10.223 4.765 1.00 0.00 C ATOM 1018 CG LYS A 66 -5.517 9.839 4.933 1.00 0.00 C ATOM 1019 CD LYS A 66 -6.443 10.967 4.509 1.00 0.00 C ATOM 1020 CE LYS A 66 -7.822 10.820 5.133 1.00 0.00 C ATOM 1021 NZ LYS A 66 -8.728 9.993 4.288 1.00 0.00 N ATOM 0 H LYS A 66 -3.531 7.953 3.955 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.269 10.242 2.626 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.458 9.667 5.486 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.939 11.281 5.001 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.731 8.950 4.340 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.709 9.582 5.975 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.010 11.924 4.801 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.533 10.976 3.423 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.728 10.364 6.119 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -8.262 11.807 5.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -9.658 9.917 4.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -8.838 10.441 3.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -8.321 9.043 4.170 1.00 0.00 H new ATOM 1035 N VAL A 67 -2.434 12.128 3.184 1.00 0.00 N ATOM 1036 CA VAL A 67 -1.323 13.049 2.976 1.00 0.00 C ATOM 1037 C VAL A 67 -1.184 14.016 4.147 1.00 0.00 C ATOM 1038 O VAL A 67 -2.050 14.862 4.374 1.00 0.00 O ATOM 1039 CB VAL A 67 -1.500 13.857 1.676 1.00 0.00 C ATOM 1040 CG1 VAL A 67 -0.340 14.822 1.485 1.00 0.00 C ATOM 1041 CG2 VAL A 67 -1.629 12.923 0.483 1.00 0.00 C ATOM 0 H VAL A 67 -3.326 12.581 3.380 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.420 12.443 2.899 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.417 14.440 1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.482 15.384 0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.299 15.513 2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.594 14.262 1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.753 13.510 -0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.730 12.312 0.401 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.496 12.277 0.619 1.00 0.00 H new ATOM 1051 N LYS A 68 -0.089 13.886 4.888 1.00 0.00 N ATOM 1052 CA LYS A 68 0.166 14.748 6.035 1.00 0.00 C ATOM 1053 C LYS A 68 0.997 15.961 5.630 1.00 0.00 C ATOM 1054 O LYS A 68 2.117 15.821 5.137 1.00 0.00 O ATOM 1055 CB LYS A 68 0.887 13.967 7.136 1.00 0.00 C ATOM 1056 CG LYS A 68 0.145 12.719 7.582 1.00 0.00 C ATOM 1057 CD LYS A 68 -0.808 13.017 8.727 1.00 0.00 C ATOM 1058 CE LYS A 68 -1.655 11.803 9.078 1.00 0.00 C ATOM 1059 NZ LYS A 68 -2.757 12.148 10.018 1.00 0.00 N ATOM 0 H LYS A 68 0.637 13.191 4.714 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.794 15.098 6.415 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.877 13.683 6.780 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.033 14.620 7.997 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.413 12.306 6.741 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.862 11.959 7.893 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.240 13.331 9.603 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.458 13.849 8.454 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.075 11.378 8.167 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.023 11.036 9.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.311 11.294 10.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.356 12.530 10.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.375 12.861 9.581 1.00 0.00 H new ATOM 1073 N ARG A 69 0.443 17.150 5.841 1.00 0.00 N ATOM 1074 CA ARG A 69 1.134 18.387 5.498 1.00 0.00 C ATOM 1075 C ARG A 69 1.967 18.889 6.674 1.00 0.00 C ATOM 1076 O ARG A 69 1.600 18.701 7.834 1.00 0.00 O ATOM 1077 CB ARG A 69 0.127 19.459 5.079 1.00 0.00 C ATOM 1078 CG ARG A 69 -0.930 18.956 4.109 1.00 0.00 C ATOM 1079 CD ARG A 69 -0.477 19.103 2.665 1.00 0.00 C ATOM 1080 NE ARG A 69 -1.602 19.307 1.756 1.00 0.00 N ATOM 1081 CZ ARG A 69 -2.340 20.411 1.737 1.00 0.00 C ATOM 1082 NH1 ARG A 69 -2.074 21.406 2.572 1.00 0.00 N ATOM 1083 NH2 ARG A 69 -3.348 20.522 0.880 1.00 0.00 N ATOM 0 H ARG A 69 -0.483 17.283 6.248 1.00 0.00 H new ATOM 0 HA ARG A 69 1.803 18.180 4.663 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.366 19.850 5.969 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.663 20.290 4.620 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.148 17.909 4.318 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.856 19.511 4.259 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.211 19.945 2.585 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.074 18.211 2.365 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.833 18.561 1.100 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.300 21.325 3.232 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.643 22.252 2.554 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.556 19.759 0.236 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.914 21.370 0.866 1.00 0.00 H new ATOM 1097 N LYS A 70 3.090 19.528 6.367 1.00 0.00 N ATOM 1098 CA LYS A 70 3.976 20.058 7.397 1.00 0.00 C ATOM 1099 C LYS A 70 4.496 18.941 8.295 1.00 0.00 C ATOM 1100 O LYS A 70 4.487 19.061 9.519 1.00 0.00 O ATOM 1101 CB LYS A 70 3.243 21.105 8.239 1.00 0.00 C ATOM 1102 CG LYS A 70 2.888 22.365 7.469 1.00 0.00 C ATOM 1103 CD LYS A 70 4.000 23.398 7.546 1.00 0.00 C ATOM 1104 CE LYS A 70 3.644 24.659 6.774 1.00 0.00 C ATOM 1105 NZ LYS A 70 4.598 25.768 7.054 1.00 0.00 N ATOM 0 H LYS A 70 3.409 19.692 5.412 1.00 0.00 H new ATOM 0 HA LYS A 70 4.826 20.528 6.903 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.330 20.664 8.638 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.866 21.374 9.092 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.696 22.113 6.426 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.967 22.790 7.869 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.192 23.651 8.589 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.921 22.973 7.146 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.642 24.443 5.706 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.634 24.973 7.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.321 26.610 6.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.582 25.992 8.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.558 25.478 6.779 1.00 0.00 H new ATOM 1119 N ASN A 71 4.950 17.855 7.678 1.00 0.00 N ATOM 1120 CA ASN A 71 5.476 16.716 8.422 1.00 0.00 C ATOM 1121 C ASN A 71 6.291 15.801 7.514 1.00 0.00 C ATOM 1122 O ASN A 71 5.843 15.425 6.429 1.00 0.00 O ATOM 1123 CB ASN A 71 4.332 15.928 9.064 1.00 0.00 C ATOM 1124 CG ASN A 71 4.758 15.223 10.337 1.00 0.00 C ATOM 1125 OD1 ASN A 71 5.919 14.844 10.491 1.00 0.00 O ATOM 1126 ND2 ASN A 71 3.817 15.044 11.257 1.00 0.00 N ATOM 0 H ASN A 71 4.964 17.740 6.665 1.00 0.00 H new ATOM 0 HA ASN A 71 6.131 17.097 9.205 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.508 16.606 9.286 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.957 15.192 8.352 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.044 14.576 12.134 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.867 15.375 11.086 1.00 0.00 H new ATOM 1133 N LEU A 72 7.489 15.445 7.963 1.00 0.00 N ATOM 1134 CA LEU A 72 8.368 14.573 7.191 1.00 0.00 C ATOM 1135 C LEU A 72 8.428 13.178 7.806 1.00 0.00 C ATOM 1136 O LEU A 72 8.703 12.197 7.117 1.00 0.00 O ATOM 1137 CB LEU A 72 9.774 15.171 7.116 1.00 0.00 C ATOM 1138 CG LEU A 72 9.870 16.595 6.569 1.00 0.00 C ATOM 1139 CD1 LEU A 72 11.173 17.248 7.003 1.00 0.00 C ATOM 1140 CD2 LEU A 72 9.752 16.593 5.051 1.00 0.00 C ATOM 0 H LEU A 72 7.875 15.747 8.858 1.00 0.00 H new ATOM 0 HA LEU A 72 7.962 14.488 6.183 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.206 15.158 8.116 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.390 14.522 6.494 1.00 0.00 H new ATOM 0 HG LEU A 72 9.043 17.176 6.977 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.223 18.261 6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 72 11.217 17.284 8.092 1.00 0.00 H new ATOM 0 HD13 LEU A 72 12.015 16.667 6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.823 17.615 4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.557 15.995 4.624 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.791 16.167 4.761 1.00 0.00 H new ATOM 1152 N ASN A 73 8.166 13.099 9.107 1.00 0.00 N ATOM 1153 CA ASN A 73 8.189 11.824 9.814 1.00 0.00 C ATOM 1154 C ASN A 73 6.820 11.507 10.409 1.00 0.00 C ATOM 1155 O ASN A 73 6.696 11.098 11.563 1.00 0.00 O ATOM 1156 CB ASN A 73 9.244 11.850 10.921 1.00 0.00 C ATOM 1157 CG ASN A 73 10.574 12.396 10.439 1.00 0.00 C ATOM 1158 OD1 ASN A 73 11.070 12.008 9.381 1.00 0.00 O ATOM 1159 ND2 ASN A 73 11.159 13.301 11.216 1.00 0.00 N ATOM 0 H ASN A 73 7.936 13.902 9.692 1.00 0.00 H new ATOM 0 HA ASN A 73 8.444 11.044 9.097 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.883 12.460 11.749 1.00 0.00 H new ATOM 0 HB3 ASN A 73 9.387 10.841 11.307 1.00 0.00 H new ATOM 0 HD21 ASN A 73 12.056 13.704 10.944 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.711 13.593 12.085 1.00 0.00 H new ATOM 1166 N PRO A 74 5.765 11.700 9.602 1.00 0.00 N ATOM 1167 CA PRO A 74 4.386 11.440 10.026 1.00 0.00 C ATOM 1168 C PRO A 74 4.104 9.952 10.202 1.00 0.00 C ATOM 1169 O PRO A 74 4.876 9.106 9.749 1.00 0.00 O ATOM 1170 CB PRO A 74 3.549 12.012 8.880 1.00 0.00 C ATOM 1171 CG PRO A 74 4.447 11.958 7.692 1.00 0.00 C ATOM 1172 CD PRO A 74 5.838 12.186 8.214 1.00 0.00 C ATOM 0 HA PRO A 74 4.167 11.886 10.996 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.644 11.426 8.719 1.00 0.00 H new ATOM 0 HB3 PRO A 74 3.233 13.034 9.092 1.00 0.00 H new ATOM 0 HG2 PRO A 74 4.372 10.994 7.190 1.00 0.00 H new ATOM 0 HG3 PRO A 74 4.174 12.720 6.962 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.580 11.637 7.634 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.116 13.239 8.171 1.00 0.00 H new ATOM 1180 N HIS A 75 2.994 9.639 10.862 1.00 0.00 N ATOM 1181 CA HIS A 75 2.610 8.251 11.096 1.00 0.00 C ATOM 1182 C HIS A 75 1.178 7.998 10.632 1.00 0.00 C ATOM 1183 O HIS A 75 0.231 8.569 11.173 1.00 0.00 O ATOM 1184 CB HIS A 75 2.746 7.905 12.579 1.00 0.00 C ATOM 1185 CG HIS A 75 1.696 8.536 13.440 1.00 0.00 C ATOM 1186 ND1 HIS A 75 0.728 7.809 14.101 1.00 0.00 N ATOM 1187 CD2 HIS A 75 1.466 9.833 13.749 1.00 0.00 C ATOM 1188 CE1 HIS A 75 -0.053 8.632 14.777 1.00 0.00 C ATOM 1189 NE2 HIS A 75 0.374 9.866 14.581 1.00 0.00 N ATOM 0 H HIS A 75 2.345 10.327 11.244 1.00 0.00 H new ATOM 0 HA HIS A 75 3.279 7.613 10.519 1.00 0.00 H new ATOM 0 HB2 HIS A 75 2.698 6.822 12.697 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.729 8.221 12.929 1.00 0.00 H new ATOM 0 HD1 HIS A 75 0.631 6.794 14.072 1.00 0.00 H new ATOM 0 HD2 HIS A 75 2.035 10.684 13.405 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -0.897 8.345 15.386 1.00 0.00 H new ATOM 1198 N TRP A 76 1.029 7.142 9.629 1.00 0.00 N ATOM 1199 CA TRP A 76 -0.287 6.814 9.092 1.00 0.00 C ATOM 1200 C TRP A 76 -0.946 5.707 9.906 1.00 0.00 C ATOM 1201 O TRP A 76 -2.067 5.863 10.390 1.00 0.00 O ATOM 1202 CB TRP A 76 -0.172 6.388 7.628 1.00 0.00 C ATOM 1203 CG TRP A 76 0.350 7.472 6.733 1.00 0.00 C ATOM 1204 CD1 TRP A 76 -0.361 8.512 6.205 1.00 0.00 C ATOM 1205 CD2 TRP A 76 1.693 7.621 6.260 1.00 0.00 C ATOM 1206 NE1 TRP A 76 0.460 9.298 5.433 1.00 0.00 N ATOM 1207 CE2 TRP A 76 1.725 8.774 5.451 1.00 0.00 C ATOM 1208 CE3 TRP A 76 2.872 6.894 6.443 1.00 0.00 C ATOM 1209 CZ2 TRP A 76 2.889 9.213 4.827 1.00 0.00 C ATOM 1210 CZ3 TRP A 76 4.027 7.331 5.823 1.00 0.00 C ATOM 1211 CH2 TRP A 76 4.029 8.482 5.024 1.00 0.00 C ATOM 0 H TRP A 76 1.803 6.662 9.170 1.00 0.00 H new ATOM 0 HA TRP A 76 -0.910 7.706 9.155 1.00 0.00 H new ATOM 0 HB2 TRP A 76 0.486 5.522 7.560 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -1.152 6.072 7.271 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -1.413 8.690 6.370 1.00 0.00 H new ATOM 0 HE1 TRP A 76 0.173 10.137 4.928 1.00 0.00 H new ATOM 0 HE3 TRP A 76 2.880 6.006 7.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 2.892 10.099 4.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 4.944 6.776 5.957 1.00 0.00 H new ATOM 0 HH2 TRP A 76 4.949 8.799 4.554 1.00 0.00 H new ATOM 1222 N ASN A 77 -0.244 4.588 10.053 1.00 0.00 N ATOM 1223 CA ASN A 77 -0.763 3.454 10.809 1.00 0.00 C ATOM 1224 C ASN A 77 -2.145 3.050 10.305 1.00 0.00 C ATOM 1225 O ASN A 77 -2.991 2.599 11.077 1.00 0.00 O ATOM 1226 CB ASN A 77 -0.832 3.796 12.299 1.00 0.00 C ATOM 1227 CG ASN A 77 0.497 4.284 12.842 1.00 0.00 C ATOM 1228 OD1 ASN A 77 0.961 5.371 12.496 1.00 0.00 O ATOM 1229 ND2 ASN A 77 1.118 3.481 13.698 1.00 0.00 N ATOM 0 H ASN A 77 0.685 4.442 9.659 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.084 2.614 10.666 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.590 4.563 12.458 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.148 2.915 12.857 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.016 3.756 14.096 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.697 2.589 13.957 1.00 0.00 H new ATOM 1236 N GLU A 78 -2.366 3.216 9.004 1.00 0.00 N ATOM 1237 CA GLU A 78 -3.645 2.868 8.397 1.00 0.00 C ATOM 1238 C GLU A 78 -3.710 1.377 8.080 1.00 0.00 C ATOM 1239 O GLU A 78 -2.697 0.679 8.112 1.00 0.00 O ATOM 1240 CB GLU A 78 -3.867 3.683 7.121 1.00 0.00 C ATOM 1241 CG GLU A 78 -4.348 5.101 7.379 1.00 0.00 C ATOM 1242 CD GLU A 78 -4.238 5.987 6.154 1.00 0.00 C ATOM 1243 OE1 GLU A 78 -5.110 5.880 5.265 1.00 0.00 O ATOM 1244 OE2 GLU A 78 -3.281 6.786 6.082 1.00 0.00 O ATOM 0 H GLU A 78 -1.676 3.589 8.351 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.433 3.103 9.112 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.934 3.722 6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.596 3.170 6.495 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.386 5.074 7.711 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.765 5.536 8.191 1.00 0.00 H new ATOM 1251 N THR A 79 -4.911 0.895 7.773 1.00 0.00 N ATOM 1252 CA THR A 79 -5.110 -0.512 7.452 1.00 0.00 C ATOM 1253 C THR A 79 -5.950 -0.675 6.190 1.00 0.00 C ATOM 1254 O THR A 79 -7.147 -0.390 6.189 1.00 0.00 O ATOM 1255 CB THR A 79 -5.794 -1.262 8.610 1.00 0.00 C ATOM 1256 OG1 THR A 79 -5.097 -1.011 9.836 1.00 0.00 O ATOM 1257 CG2 THR A 79 -5.831 -2.758 8.340 1.00 0.00 C ATOM 0 H THR A 79 -5.760 1.459 7.740 1.00 0.00 H new ATOM 0 HA THR A 79 -4.122 -0.940 7.285 1.00 0.00 H new ATOM 0 HB THR A 79 -6.818 -0.899 8.693 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.539 -1.490 10.568 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.319 -3.266 9.172 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.387 -2.948 7.422 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.813 -3.134 8.232 1.00 0.00 H new ATOM 1265 N PHE A 80 -5.314 -1.135 5.117 1.00 0.00 N ATOM 1266 CA PHE A 80 -6.004 -1.335 3.848 1.00 0.00 C ATOM 1267 C PHE A 80 -6.434 -2.790 3.686 1.00 0.00 C ATOM 1268 O PHE A 80 -6.007 -3.664 4.443 1.00 0.00 O ATOM 1269 CB PHE A 80 -5.101 -0.926 2.683 1.00 0.00 C ATOM 1270 CG PHE A 80 -4.631 0.498 2.760 1.00 0.00 C ATOM 1271 CD1 PHE A 80 -5.414 1.528 2.265 1.00 0.00 C ATOM 1272 CD2 PHE A 80 -3.406 0.808 3.329 1.00 0.00 C ATOM 1273 CE1 PHE A 80 -4.983 2.840 2.334 1.00 0.00 C ATOM 1274 CE2 PHE A 80 -2.970 2.117 3.401 1.00 0.00 C ATOM 1275 CZ PHE A 80 -3.760 3.135 2.904 1.00 0.00 C ATOM 0 H PHE A 80 -4.323 -1.376 5.101 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.896 -0.708 3.845 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.234 -1.586 2.657 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.640 -1.072 1.747 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -6.372 1.304 1.820 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.784 0.017 3.721 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -5.602 3.634 1.942 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -2.012 2.344 3.846 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.422 4.159 2.961 1.00 0.00 H new ATOM 1285 N LEU A 81 -7.282 -3.043 2.696 1.00 0.00 N ATOM 1286 CA LEU A 81 -7.771 -4.393 2.433 1.00 0.00 C ATOM 1287 C LEU A 81 -8.046 -4.593 0.946 1.00 0.00 C ATOM 1288 O LEU A 81 -8.858 -3.883 0.353 1.00 0.00 O ATOM 1289 CB LEU A 81 -9.044 -4.660 3.239 1.00 0.00 C ATOM 1290 CG LEU A 81 -8.907 -4.570 4.759 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -10.277 -4.579 5.420 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -8.051 -5.712 5.287 1.00 0.00 C ATOM 0 H LEU A 81 -7.646 -2.332 2.062 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.999 -5.099 2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.807 -3.950 2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.409 -5.655 2.985 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.414 -3.630 5.004 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.160 -4.514 6.502 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.857 -3.727 5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.797 -5.503 5.166 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.965 -5.631 6.371 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.516 -6.664 5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.059 -5.660 4.839 1.00 0.00 H new ATOM 1304 N PHE A 82 -7.364 -5.566 0.350 1.00 0.00 N ATOM 1305 CA PHE A 82 -7.536 -5.861 -1.068 1.00 0.00 C ATOM 1306 C PHE A 82 -8.325 -7.152 -1.263 1.00 0.00 C ATOM 1307 O PHE A 82 -7.784 -8.249 -1.124 1.00 0.00 O ATOM 1308 CB PHE A 82 -6.173 -5.974 -1.755 1.00 0.00 C ATOM 1309 CG PHE A 82 -5.414 -4.679 -1.796 1.00 0.00 C ATOM 1310 CD1 PHE A 82 -5.734 -3.702 -2.725 1.00 0.00 C ATOM 1311 CD2 PHE A 82 -4.380 -4.438 -0.905 1.00 0.00 C ATOM 1312 CE1 PHE A 82 -5.036 -2.510 -2.766 1.00 0.00 C ATOM 1313 CE2 PHE A 82 -3.679 -3.247 -0.940 1.00 0.00 C ATOM 1314 CZ PHE A 82 -4.008 -2.281 -1.871 1.00 0.00 C ATOM 0 H PHE A 82 -6.688 -6.163 0.826 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.096 -5.042 -1.519 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.574 -6.721 -1.235 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.317 -6.334 -2.774 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.538 -3.874 -3.425 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.119 -5.190 -0.175 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.294 -1.758 -3.497 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.875 -3.072 -0.240 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.463 -1.349 -1.899 1.00 0.00 H new ATOM 1324 N GLU A 83 -9.607 -7.013 -1.585 1.00 0.00 N ATOM 1325 CA GLU A 83 -10.471 -8.168 -1.798 1.00 0.00 C ATOM 1326 C GLU A 83 -10.563 -8.512 -3.281 1.00 0.00 C ATOM 1327 O GLU A 83 -10.532 -7.629 -4.138 1.00 0.00 O ATOM 1328 CB GLU A 83 -11.869 -7.897 -1.238 1.00 0.00 C ATOM 1329 CG GLU A 83 -11.867 -7.451 0.215 1.00 0.00 C ATOM 1330 CD GLU A 83 -13.260 -7.397 0.810 1.00 0.00 C ATOM 1331 OE1 GLU A 83 -13.921 -8.455 0.870 1.00 0.00 O ATOM 1332 OE2 GLU A 83 -13.690 -6.297 1.216 1.00 0.00 O ATOM 0 H GLU A 83 -10.070 -6.112 -1.704 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.035 -9.018 -1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.352 -7.130 -1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.470 -8.802 -1.331 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.252 -8.135 0.800 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.406 -6.466 0.288 1.00 0.00 H new ATOM 1339 N GLY A 84 -10.676 -9.804 -3.578 1.00 0.00 N ATOM 1340 CA GLY A 84 -10.770 -10.243 -4.958 1.00 0.00 C ATOM 1341 C GLY A 84 -9.438 -10.709 -5.510 1.00 0.00 C ATOM 1342 O GLY A 84 -9.194 -10.627 -6.714 1.00 0.00 O ATOM 0 H GLY A 84 -10.704 -10.554 -2.887 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.493 -11.055 -5.029 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.148 -9.425 -5.571 1.00 0.00 H new ATOM 1346 N PHE A 85 -8.573 -11.199 -4.628 1.00 0.00 N ATOM 1347 CA PHE A 85 -7.257 -11.678 -5.034 1.00 0.00 C ATOM 1348 C PHE A 85 -6.860 -12.918 -4.238 1.00 0.00 C ATOM 1349 O PHE A 85 -6.525 -12.846 -3.055 1.00 0.00 O ATOM 1350 CB PHE A 85 -6.209 -10.579 -4.844 1.00 0.00 C ATOM 1351 CG PHE A 85 -6.081 -9.662 -6.026 1.00 0.00 C ATOM 1352 CD1 PHE A 85 -7.069 -8.732 -6.308 1.00 0.00 C ATOM 1353 CD2 PHE A 85 -4.973 -9.729 -6.855 1.00 0.00 C ATOM 1354 CE1 PHE A 85 -6.954 -7.888 -7.396 1.00 0.00 C ATOM 1355 CE2 PHE A 85 -4.852 -8.887 -7.944 1.00 0.00 C ATOM 1356 CZ PHE A 85 -5.844 -7.964 -8.214 1.00 0.00 C ATOM 0 H PHE A 85 -8.760 -11.275 -3.628 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.305 -11.945 -6.090 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.467 -9.990 -3.964 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.242 -11.041 -4.646 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.938 -8.666 -5.670 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.194 -10.448 -6.648 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.732 -7.169 -7.607 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.984 -8.950 -8.583 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.752 -7.303 -9.063 1.00 0.00 H new ATOM 1366 N PRO A 86 -6.899 -14.084 -4.900 1.00 0.00 N ATOM 1367 CA PRO A 86 -6.547 -15.362 -4.274 1.00 0.00 C ATOM 1368 C PRO A 86 -5.056 -15.470 -3.975 1.00 0.00 C ATOM 1369 O PRO A 86 -4.223 -14.967 -4.730 1.00 0.00 O ATOM 1370 CB PRO A 86 -6.957 -16.396 -5.326 1.00 0.00 C ATOM 1371 CG PRO A 86 -6.900 -15.663 -6.621 1.00 0.00 C ATOM 1372 CD PRO A 86 -7.289 -14.244 -6.311 1.00 0.00 C ATOM 0 HA PRO A 86 -7.040 -15.494 -3.311 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.281 -17.251 -5.325 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -7.958 -16.781 -5.133 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -5.900 -15.708 -7.051 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -7.581 -16.104 -7.349 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.769 -13.535 -6.955 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.357 -14.080 -6.454 1.00 0.00 H new ATOM 1380 N TYR A 87 -4.725 -16.128 -2.869 1.00 0.00 N ATOM 1381 CA TYR A 87 -3.334 -16.300 -2.469 1.00 0.00 C ATOM 1382 C TYR A 87 -2.473 -16.718 -3.657 1.00 0.00 C ATOM 1383 O TYR A 87 -1.504 -16.043 -4.003 1.00 0.00 O ATOM 1384 CB TYR A 87 -3.227 -17.342 -1.355 1.00 0.00 C ATOM 1385 CG TYR A 87 -1.823 -17.863 -1.146 1.00 0.00 C ATOM 1386 CD1 TYR A 87 -0.936 -17.207 -0.300 1.00 0.00 C ATOM 1387 CD2 TYR A 87 -1.383 -19.011 -1.794 1.00 0.00 C ATOM 1388 CE1 TYR A 87 0.348 -17.679 -0.107 1.00 0.00 C ATOM 1389 CE2 TYR A 87 -0.101 -19.490 -1.605 1.00 0.00 C ATOM 1390 CZ TYR A 87 0.761 -18.821 -0.762 1.00 0.00 C ATOM 1391 OH TYR A 87 2.038 -19.295 -0.571 1.00 0.00 O ATOM 0 H TYR A 87 -5.402 -16.551 -2.234 1.00 0.00 H new ATOM 0 HA TYR A 87 -2.968 -15.343 -2.098 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.585 -16.904 -0.423 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -3.885 -18.179 -1.587 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.256 -16.313 0.215 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.054 -19.537 -2.456 1.00 0.00 H new ATOM 0 HE1 TYR A 87 1.025 -17.157 0.553 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.225 -20.384 -2.115 1.00 0.00 H new ATOM 0 HH TYR A 87 2.169 -20.107 -1.104 1.00 0.00 H new ATOM 1401 N GLU A 88 -2.835 -17.836 -4.278 1.00 0.00 N ATOM 1402 CA GLU A 88 -2.096 -18.345 -5.427 1.00 0.00 C ATOM 1403 C GLU A 88 -1.695 -17.209 -6.363 1.00 0.00 C ATOM 1404 O GLU A 88 -0.719 -17.315 -7.105 1.00 0.00 O ATOM 1405 CB GLU A 88 -2.937 -19.374 -6.187 1.00 0.00 C ATOM 1406 CG GLU A 88 -4.092 -18.762 -6.962 1.00 0.00 C ATOM 1407 CD GLU A 88 -4.537 -19.627 -8.126 1.00 0.00 C ATOM 1408 OE1 GLU A 88 -3.798 -19.697 -9.130 1.00 0.00 O ATOM 1409 OE2 GLU A 88 -5.624 -20.234 -8.031 1.00 0.00 O ATOM 0 H GLU A 88 -3.635 -18.406 -4.005 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.190 -18.827 -5.059 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.293 -19.917 -6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.331 -20.103 -5.479 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.934 -18.605 -6.288 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.795 -17.782 -7.335 1.00 0.00 H new ATOM 1416 N LYS A 89 -2.456 -16.120 -6.322 1.00 0.00 N ATOM 1417 CA LYS A 89 -2.181 -14.962 -7.164 1.00 0.00 C ATOM 1418 C LYS A 89 -1.451 -13.878 -6.378 1.00 0.00 C ATOM 1419 O LYS A 89 -0.324 -13.510 -6.710 1.00 0.00 O ATOM 1420 CB LYS A 89 -3.485 -14.401 -7.736 1.00 0.00 C ATOM 1421 CG LYS A 89 -4.016 -15.185 -8.924 1.00 0.00 C ATOM 1422 CD LYS A 89 -4.885 -14.319 -9.820 1.00 0.00 C ATOM 1423 CE LYS A 89 -4.046 -13.514 -10.801 1.00 0.00 C ATOM 1424 NZ LYS A 89 -4.846 -13.057 -11.971 1.00 0.00 N ATOM 0 H LYS A 89 -3.268 -16.016 -5.714 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.540 -15.285 -7.984 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.241 -14.391 -6.951 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.324 -13.366 -8.037 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.181 -15.584 -9.500 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -4.594 -16.038 -8.569 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -5.584 -14.949 -10.369 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -5.480 -13.642 -9.207 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -3.622 -12.649 -10.291 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -3.210 -14.122 -11.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -4.238 -12.512 -12.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.230 -13.883 -12.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.629 -12.456 -11.643 1.00 0.00 H new ATOM 1438 N VAL A 90 -2.099 -13.373 -5.333 1.00 0.00 N ATOM 1439 CA VAL A 90 -1.510 -12.333 -4.498 1.00 0.00 C ATOM 1440 C VAL A 90 -0.018 -12.572 -4.294 1.00 0.00 C ATOM 1441 O VAL A 90 0.752 -11.631 -4.099 1.00 0.00 O ATOM 1442 CB VAL A 90 -2.200 -12.259 -3.123 1.00 0.00 C ATOM 1443 CG1 VAL A 90 -1.555 -13.234 -2.149 1.00 0.00 C ATOM 1444 CG2 VAL A 90 -2.153 -10.840 -2.579 1.00 0.00 C ATOM 0 H VAL A 90 -3.032 -13.667 -5.045 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.656 -11.387 -5.020 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.246 -12.542 -3.245 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.055 -13.168 -1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.646 -14.249 -2.536 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.501 -12.985 -2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.645 -10.806 -1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.115 -10.526 -2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.665 -10.169 -3.268 1.00 0.00 H new ATOM 1454 N VAL A 91 0.384 -13.838 -4.340 1.00 0.00 N ATOM 1455 CA VAL A 91 1.785 -14.202 -4.161 1.00 0.00 C ATOM 1456 C VAL A 91 2.616 -13.799 -5.374 1.00 0.00 C ATOM 1457 O VAL A 91 3.710 -13.252 -5.235 1.00 0.00 O ATOM 1458 CB VAL A 91 1.946 -15.715 -3.922 1.00 0.00 C ATOM 1459 CG1 VAL A 91 1.173 -16.145 -2.685 1.00 0.00 C ATOM 1460 CG2 VAL A 91 1.491 -16.498 -5.144 1.00 0.00 C ATOM 0 H VAL A 91 -0.240 -14.629 -4.500 1.00 0.00 H new ATOM 0 HA VAL A 91 2.143 -13.663 -3.283 1.00 0.00 H new ATOM 0 HB VAL A 91 3.002 -15.929 -3.754 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.298 -17.217 -2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.550 -15.608 -1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.115 -15.919 -2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.612 -17.565 -4.958 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.442 -16.281 -5.345 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.093 -16.210 -6.006 1.00 0.00 H new ATOM 1470 N GLN A 92 2.089 -14.073 -6.563 1.00 0.00 N ATOM 1471 CA GLN A 92 2.784 -13.739 -7.801 1.00 0.00 C ATOM 1472 C GLN A 92 2.939 -12.229 -7.947 1.00 0.00 C ATOM 1473 O GLN A 92 3.683 -11.752 -8.805 1.00 0.00 O ATOM 1474 CB GLN A 92 2.026 -14.304 -9.004 1.00 0.00 C ATOM 1475 CG GLN A 92 1.710 -15.786 -8.882 1.00 0.00 C ATOM 1476 CD GLN A 92 1.256 -16.396 -10.194 1.00 0.00 C ATOM 1477 OE1 GLN A 92 1.901 -16.223 -11.228 1.00 0.00 O ATOM 1478 NE2 GLN A 92 0.140 -17.115 -10.158 1.00 0.00 N ATOM 0 H GLN A 92 1.184 -14.525 -6.695 1.00 0.00 H new ATOM 0 HA GLN A 92 3.777 -14.186 -7.763 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.095 -13.751 -9.128 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.617 -14.140 -9.905 1.00 0.00 H new ATOM 0 HG2 GLN A 92 2.595 -16.314 -8.527 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.932 -15.927 -8.132 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.363 -17.232 -9.278 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.214 -17.550 -11.010 1.00 0.00 H new ATOM 1487 N ARG A 93 2.233 -11.481 -7.105 1.00 0.00 N ATOM 1488 CA ARG A 93 2.292 -10.025 -7.142 1.00 0.00 C ATOM 1489 C ARG A 93 3.381 -9.501 -6.211 1.00 0.00 C ATOM 1490 O ARG A 93 3.851 -10.216 -5.325 1.00 0.00 O ATOM 1491 CB ARG A 93 0.939 -9.429 -6.748 1.00 0.00 C ATOM 1492 CG ARG A 93 -0.199 -9.841 -7.667 1.00 0.00 C ATOM 1493 CD ARG A 93 -0.057 -9.215 -9.046 1.00 0.00 C ATOM 1494 NE ARG A 93 -1.345 -9.081 -9.721 1.00 0.00 N ATOM 1495 CZ ARG A 93 -1.916 -10.059 -10.416 1.00 0.00 C ATOM 1496 NH1 ARG A 93 -1.315 -11.236 -10.526 1.00 0.00 N ATOM 1497 NH2 ARG A 93 -3.090 -9.861 -11.002 1.00 0.00 N ATOM 0 H ARG A 93 1.613 -11.860 -6.389 1.00 0.00 H new ATOM 0 HA ARG A 93 2.533 -9.722 -8.161 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.700 -9.734 -5.729 1.00 0.00 H new ATOM 0 HB3 ARG A 93 1.017 -8.342 -6.746 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.218 -10.927 -7.760 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.150 -9.542 -7.227 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.407 -8.233 -8.952 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.610 -9.826 -9.655 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.833 -8.188 -9.655 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.413 -11.392 -10.077 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.755 -11.985 -11.060 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.555 -8.957 -10.919 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -3.527 -10.613 -11.535 1.00 0.00 H new ATOM 1511 N ILE A 94 3.779 -8.251 -6.418 1.00 0.00 N ATOM 1512 CA ILE A 94 4.812 -7.632 -5.597 1.00 0.00 C ATOM 1513 C ILE A 94 4.312 -6.335 -4.969 1.00 0.00 C ATOM 1514 O ILE A 94 3.699 -5.504 -5.640 1.00 0.00 O ATOM 1515 CB ILE A 94 6.081 -7.335 -6.418 1.00 0.00 C ATOM 1516 CG1 ILE A 94 6.828 -8.634 -6.730 1.00 0.00 C ATOM 1517 CG2 ILE A 94 6.982 -6.366 -5.668 1.00 0.00 C ATOM 1518 CD1 ILE A 94 7.662 -8.563 -7.990 1.00 0.00 C ATOM 0 H ILE A 94 3.402 -7.646 -7.148 1.00 0.00 H new ATOM 0 HA ILE A 94 5.057 -8.344 -4.809 1.00 0.00 H new ATOM 0 HB ILE A 94 5.787 -6.872 -7.360 1.00 0.00 H new ATOM 0 HG12 ILE A 94 7.475 -8.883 -5.889 1.00 0.00 H new ATOM 0 HG13 ILE A 94 6.106 -9.445 -6.827 1.00 0.00 H new ATOM 0 HG21 ILE A 94 7.875 -6.166 -6.261 1.00 0.00 H new ATOM 0 HG22 ILE A 94 6.446 -5.433 -5.492 1.00 0.00 H new ATOM 0 HG23 ILE A 94 7.272 -6.804 -4.713 1.00 0.00 H new ATOM 0 HD11 ILE A 94 8.163 -9.518 -8.149 1.00 0.00 H new ATOM 0 HD12 ILE A 94 7.017 -8.345 -8.841 1.00 0.00 H new ATOM 0 HD13 ILE A 94 8.408 -7.774 -7.889 1.00 0.00 H new ATOM 1530 N LEU A 95 4.579 -6.168 -3.679 1.00 0.00 N ATOM 1531 CA LEU A 95 4.158 -4.971 -2.959 1.00 0.00 C ATOM 1532 C LEU A 95 5.017 -3.773 -3.346 1.00 0.00 C ATOM 1533 O LEU A 95 6.219 -3.745 -3.077 1.00 0.00 O ATOM 1534 CB LEU A 95 4.238 -5.205 -1.449 1.00 0.00 C ATOM 1535 CG LEU A 95 3.274 -4.386 -0.591 1.00 0.00 C ATOM 1536 CD1 LEU A 95 1.839 -4.601 -1.047 1.00 0.00 C ATOM 1537 CD2 LEU A 95 3.428 -4.749 0.879 1.00 0.00 C ATOM 0 H LEU A 95 5.085 -6.846 -3.110 1.00 0.00 H new ATOM 0 HA LEU A 95 3.125 -4.757 -3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.057 -6.262 -1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.255 -4.991 -1.122 1.00 0.00 H new ATOM 0 HG LEU A 95 3.518 -3.331 -0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.167 -4.010 -0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.737 -4.291 -2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.583 -5.657 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.734 -4.156 1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.211 -5.808 1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.449 -4.543 1.200 1.00 0.00 H new ATOM 1549 N TYR A 96 4.394 -2.783 -3.976 1.00 0.00 N ATOM 1550 CA TYR A 96 5.102 -1.581 -4.400 1.00 0.00 C ATOM 1551 C TYR A 96 4.703 -0.383 -3.544 1.00 0.00 C ATOM 1552 O TYR A 96 3.547 0.043 -3.552 1.00 0.00 O ATOM 1553 CB TYR A 96 4.815 -1.288 -5.874 1.00 0.00 C ATOM 1554 CG TYR A 96 5.640 -0.153 -6.437 1.00 0.00 C ATOM 1555 CD1 TYR A 96 6.878 -0.390 -7.020 1.00 0.00 C ATOM 1556 CD2 TYR A 96 5.180 1.157 -6.387 1.00 0.00 C ATOM 1557 CE1 TYR A 96 7.635 0.644 -7.535 1.00 0.00 C ATOM 1558 CE2 TYR A 96 5.929 2.198 -6.901 1.00 0.00 C ATOM 1559 CZ TYR A 96 7.157 1.936 -7.474 1.00 0.00 C ATOM 1560 OH TYR A 96 7.907 2.969 -7.987 1.00 0.00 O ATOM 0 H TYR A 96 3.400 -2.789 -4.204 1.00 0.00 H new ATOM 0 HA TYR A 96 6.170 -1.755 -4.273 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.004 -2.188 -6.458 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.758 -1.050 -5.989 1.00 0.00 H new ATOM 0 HD1 TYR A 96 7.255 -1.401 -7.072 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.220 1.365 -5.938 1.00 0.00 H new ATOM 0 HE1 TYR A 96 8.597 0.442 -7.983 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.556 3.210 -6.855 1.00 0.00 H new ATOM 0 HH TYR A 96 7.583 3.820 -7.624 1.00 0.00 H new ATOM 1570 N LEU A 97 5.667 0.157 -2.807 1.00 0.00 N ATOM 1571 CA LEU A 97 5.418 1.307 -1.945 1.00 0.00 C ATOM 1572 C LEU A 97 6.353 2.461 -2.293 1.00 0.00 C ATOM 1573 O LEU A 97 7.572 2.340 -2.176 1.00 0.00 O ATOM 1574 CB LEU A 97 5.595 0.917 -0.477 1.00 0.00 C ATOM 1575 CG LEU A 97 4.885 -0.362 -0.032 1.00 0.00 C ATOM 1576 CD1 LEU A 97 5.555 -0.942 1.203 1.00 0.00 C ATOM 1577 CD2 LEU A 97 3.412 -0.088 0.237 1.00 0.00 C ATOM 0 H LEU A 97 6.628 -0.183 -2.789 1.00 0.00 H new ATOM 0 HA LEU A 97 4.391 1.635 -2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 97 6.661 0.805 -0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.239 1.740 0.142 1.00 0.00 H new ATOM 0 HG LEU A 97 4.957 -1.094 -0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.036 -1.852 1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.595 -1.176 0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.515 -0.215 2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.922 -1.009 0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.319 0.660 1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.939 0.281 -0.673 1.00 0.00 H new ATOM 1589 N GLN A 98 5.774 3.578 -2.720 1.00 0.00 N ATOM 1590 CA GLN A 98 6.556 4.754 -3.083 1.00 0.00 C ATOM 1591 C GLN A 98 6.190 5.945 -2.203 1.00 0.00 C ATOM 1592 O GLN A 98 5.091 6.490 -2.305 1.00 0.00 O ATOM 1593 CB GLN A 98 6.335 5.105 -4.555 1.00 0.00 C ATOM 1594 CG GLN A 98 7.010 6.399 -4.980 1.00 0.00 C ATOM 1595 CD GLN A 98 7.471 6.369 -6.424 1.00 0.00 C ATOM 1596 OE1 GLN A 98 7.813 5.313 -6.957 1.00 0.00 O ATOM 1597 NE2 GLN A 98 7.484 7.532 -7.066 1.00 0.00 N ATOM 0 H GLN A 98 4.766 3.694 -2.823 1.00 0.00 H new ATOM 0 HA GLN A 98 7.609 4.521 -2.927 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.709 4.290 -5.174 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.264 5.184 -4.744 1.00 0.00 H new ATOM 0 HG2 GLN A 98 6.317 7.229 -4.841 1.00 0.00 H new ATOM 0 HG3 GLN A 98 7.867 6.587 -4.333 1.00 0.00 H new ATOM 0 HE21 GLN A 98 7.192 8.383 -6.585 1.00 0.00 H new ATOM 0 HE22 GLN A 98 7.786 7.574 -8.039 1.00 0.00 H new ATOM 1606 N VAL A 99 7.118 6.344 -1.339 1.00 0.00 N ATOM 1607 CA VAL A 99 6.893 7.471 -0.442 1.00 0.00 C ATOM 1608 C VAL A 99 7.329 8.782 -1.086 1.00 0.00 C ATOM 1609 O VAL A 99 8.518 9.103 -1.123 1.00 0.00 O ATOM 1610 CB VAL A 99 7.648 7.289 0.888 1.00 0.00 C ATOM 1611 CG1 VAL A 99 7.566 8.555 1.727 1.00 0.00 C ATOM 1612 CG2 VAL A 99 7.097 6.095 1.654 1.00 0.00 C ATOM 0 H VAL A 99 8.033 5.903 -1.241 1.00 0.00 H new ATOM 0 HA VAL A 99 5.822 7.507 -0.242 1.00 0.00 H new ATOM 0 HB VAL A 99 8.698 7.097 0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.105 8.407 2.663 1.00 0.00 H new ATOM 0 HG12 VAL A 99 8.012 9.385 1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 99 6.522 8.782 1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 99 7.642 5.981 2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.040 6.255 1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.214 5.192 1.054 1.00 0.00 H new ATOM 1622 N LEU A 100 6.360 9.536 -1.593 1.00 0.00 N ATOM 1623 CA LEU A 100 6.644 10.814 -2.237 1.00 0.00 C ATOM 1624 C LEU A 100 5.659 11.885 -1.778 1.00 0.00 C ATOM 1625 O LEU A 100 4.683 11.590 -1.087 1.00 0.00 O ATOM 1626 CB LEU A 100 6.582 10.667 -3.758 1.00 0.00 C ATOM 1627 CG LEU A 100 5.229 10.254 -4.338 1.00 0.00 C ATOM 1628 CD1 LEU A 100 5.252 10.336 -5.856 1.00 0.00 C ATOM 1629 CD2 LEU A 100 4.859 8.850 -3.883 1.00 0.00 C ATOM 0 H LEU A 100 5.372 9.285 -1.571 1.00 0.00 H new ATOM 0 HA LEU A 100 7.649 11.122 -1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.872 11.617 -4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.325 9.930 -4.062 1.00 0.00 H new ATOM 0 HG LEU A 100 4.471 10.945 -3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.281 10.038 -6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.470 11.359 -6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.022 9.669 -6.245 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.893 8.573 -4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.619 8.146 -4.222 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.800 8.824 -2.795 1.00 0.00 H new ATOM 1641 N ASP A 101 5.920 13.128 -2.168 1.00 0.00 N ATOM 1642 CA ASP A 101 5.055 14.243 -1.799 1.00 0.00 C ATOM 1643 C ASP A 101 4.157 14.642 -2.966 1.00 0.00 C ATOM 1644 O ASP A 101 4.548 14.536 -4.128 1.00 0.00 O ATOM 1645 CB ASP A 101 5.894 15.440 -1.351 1.00 0.00 C ATOM 1646 CG ASP A 101 5.149 16.753 -1.490 1.00 0.00 C ATOM 1647 OD1 ASP A 101 4.760 17.098 -2.626 1.00 0.00 O ATOM 1648 OD2 ASP A 101 4.953 17.436 -0.463 1.00 0.00 O ATOM 0 H ASP A 101 6.724 13.389 -2.740 1.00 0.00 H new ATOM 0 HA ASP A 101 4.423 13.923 -0.971 1.00 0.00 H new ATOM 0 HB2 ASP A 101 6.192 15.303 -0.311 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.809 15.480 -1.942 1.00 0.00 H new ATOM 1791 N PRO A 110 8.891 12.371 -6.890 1.00 0.00 N ATOM 1792 CA PRO A 110 9.111 11.116 -6.165 1.00 0.00 C ATOM 1793 C PRO A 110 10.382 11.147 -5.324 1.00 0.00 C ATOM 1794 O PRO A 110 11.422 11.631 -5.773 1.00 0.00 O ATOM 1795 CB PRO A 110 9.235 10.078 -7.284 1.00 0.00 C ATOM 1796 CG PRO A 110 9.699 10.852 -8.469 1.00 0.00 C ATOM 1797 CD PRO A 110 9.079 12.216 -8.342 1.00 0.00 C ATOM 0 HA PRO A 110 8.308 10.908 -5.458 1.00 0.00 H new ATOM 0 HB2 PRO A 110 9.945 9.294 -7.020 1.00 0.00 H new ATOM 0 HB3 PRO A 110 8.280 9.590 -7.479 1.00 0.00 H new ATOM 0 HG2 PRO A 110 10.787 10.918 -8.490 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.391 10.368 -9.396 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.728 12.992 -8.748 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.132 12.279 -8.879 1.00 0.00 H new ATOM 1805 N ILE A 111 10.292 10.629 -4.104 1.00 0.00 N ATOM 1806 CA ILE A 111 11.436 10.596 -3.202 1.00 0.00 C ATOM 1807 C ILE A 111 12.104 9.225 -3.210 1.00 0.00 C ATOM 1808 O ILE A 111 13.320 9.117 -3.358 1.00 0.00 O ATOM 1809 CB ILE A 111 11.026 10.946 -1.759 1.00 0.00 C ATOM 1810 CG1 ILE A 111 10.175 12.218 -1.742 1.00 0.00 C ATOM 1811 CG2 ILE A 111 12.258 11.115 -0.884 1.00 0.00 C ATOM 1812 CD1 ILE A 111 9.514 12.486 -0.408 1.00 0.00 C ATOM 0 H ILE A 111 9.438 10.226 -3.717 1.00 0.00 H new ATOM 0 HA ILE A 111 12.143 11.344 -3.562 1.00 0.00 H new ATOM 0 HB ILE A 111 10.430 10.127 -1.358 1.00 0.00 H new ATOM 0 HG12 ILE A 111 10.803 13.069 -2.004 1.00 0.00 H new ATOM 0 HG13 ILE A 111 9.406 12.141 -2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 111 11.951 11.362 0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 111 12.828 10.186 -0.875 1.00 0.00 H new ATOM 0 HG23 ILE A 111 12.879 11.918 -1.281 1.00 0.00 H new ATOM 0 HD11 ILE A 111 8.928 13.403 -0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 111 8.859 11.653 -0.153 1.00 0.00 H new ATOM 0 HD13 ILE A 111 10.278 12.596 0.361 1.00 0.00 H new ATOM 1824 N GLY A 112 11.298 8.180 -3.051 1.00 0.00 N ATOM 1825 CA GLY A 112 11.829 6.829 -3.045 1.00 0.00 C ATOM 1826 C GLY A 112 10.744 5.779 -3.182 1.00 0.00 C ATOM 1827 O GLY A 112 9.560 6.079 -3.032 1.00 0.00 O ATOM 0 H GLY A 112 10.288 8.244 -2.926 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.542 6.719 -3.862 1.00 0.00 H new ATOM 0 HA3 GLY A 112 12.377 6.662 -2.118 1.00 0.00 H new ATOM 1831 N GLU A 113 11.148 4.546 -3.471 1.00 0.00 N ATOM 1832 CA GLU A 113 10.200 3.450 -3.632 1.00 0.00 C ATOM 1833 C GLU A 113 10.852 2.113 -3.290 1.00 0.00 C ATOM 1834 O GLU A 113 12.064 1.948 -3.425 1.00 0.00 O ATOM 1835 CB GLU A 113 9.663 3.416 -5.064 1.00 0.00 C ATOM 1836 CG GLU A 113 10.685 2.949 -6.087 1.00 0.00 C ATOM 1837 CD GLU A 113 10.758 1.438 -6.190 1.00 0.00 C ATOM 1838 OE1 GLU A 113 9.722 0.778 -5.963 1.00 0.00 O ATOM 1839 OE2 GLU A 113 11.849 0.915 -6.498 1.00 0.00 O ATOM 0 H GLU A 113 12.125 4.281 -3.598 1.00 0.00 H new ATOM 0 HA GLU A 113 9.371 3.617 -2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.796 2.757 -5.102 1.00 0.00 H new ATOM 0 HB3 GLU A 113 9.318 4.413 -5.337 1.00 0.00 H new ATOM 0 HG2 GLU A 113 10.433 3.364 -7.063 1.00 0.00 H new ATOM 0 HG3 GLU A 113 11.667 3.339 -5.819 1.00 0.00 H new ATOM 1846 N VAL A 114 10.037 1.161 -2.845 1.00 0.00 N ATOM 1847 CA VAL A 114 10.533 -0.162 -2.484 1.00 0.00 C ATOM 1848 C VAL A 114 9.791 -1.254 -3.247 1.00 0.00 C ATOM 1849 O VAL A 114 8.636 -1.080 -3.633 1.00 0.00 O ATOM 1850 CB VAL A 114 10.391 -0.420 -0.972 1.00 0.00 C ATOM 1851 CG1 VAL A 114 11.255 -1.599 -0.549 1.00 0.00 C ATOM 1852 CG2 VAL A 114 10.755 0.828 -0.182 1.00 0.00 C ATOM 0 H VAL A 114 9.031 1.281 -2.726 1.00 0.00 H new ATOM 0 HA VAL A 114 11.589 -0.189 -2.753 1.00 0.00 H new ATOM 0 HB VAL A 114 9.351 -0.666 -0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 114 11.142 -1.767 0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 114 10.943 -2.492 -1.091 1.00 0.00 H new ATOM 0 HG13 VAL A 114 12.300 -1.384 -0.775 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.649 0.628 0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 114 11.786 1.107 -0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.091 1.645 -0.465 1.00 0.00 H new ATOM 1862 N SER A 115 10.464 -2.380 -3.459 1.00 0.00 N ATOM 1863 CA SER A 115 9.870 -3.501 -4.179 1.00 0.00 C ATOM 1864 C SER A 115 10.132 -4.815 -3.450 1.00 0.00 C ATOM 1865 O SER A 115 11.273 -5.267 -3.354 1.00 0.00 O ATOM 1866 CB SER A 115 10.428 -3.573 -5.602 1.00 0.00 C ATOM 1867 OG SER A 115 11.806 -3.903 -5.593 1.00 0.00 O ATOM 0 H SER A 115 11.420 -2.541 -3.143 1.00 0.00 H new ATOM 0 HA SER A 115 8.793 -3.341 -4.226 1.00 0.00 H new ATOM 0 HB2 SER A 115 9.876 -4.318 -6.175 1.00 0.00 H new ATOM 0 HB3 SER A 115 10.283 -2.615 -6.102 1.00 0.00 H new ATOM 0 HG SER A 115 12.006 -4.452 -4.806 1.00 0.00 H new ATOM 1873 N ILE A 116 9.067 -5.423 -2.939 1.00 0.00 N ATOM 1874 CA ILE A 116 9.180 -6.686 -2.220 1.00 0.00 C ATOM 1875 C ILE A 116 8.043 -7.633 -2.589 1.00 0.00 C ATOM 1876 O ILE A 116 6.865 -7.283 -2.522 1.00 0.00 O ATOM 1877 CB ILE A 116 9.178 -6.467 -0.695 1.00 0.00 C ATOM 1878 CG1 ILE A 116 10.400 -5.650 -0.273 1.00 0.00 C ATOM 1879 CG2 ILE A 116 9.151 -7.804 0.031 1.00 0.00 C ATOM 1880 CD1 ILE A 116 10.422 -5.314 1.202 1.00 0.00 C ATOM 0 H ILE A 116 8.116 -5.061 -3.010 1.00 0.00 H new ATOM 0 HA ILE A 116 10.130 -7.133 -2.513 1.00 0.00 H new ATOM 0 HB ILE A 116 8.281 -5.910 -0.424 1.00 0.00 H new ATOM 0 HG12 ILE A 116 11.303 -6.206 -0.524 1.00 0.00 H new ATOM 0 HG13 ILE A 116 10.425 -4.725 -0.849 1.00 0.00 H new ATOM 0 HG21 ILE A 116 9.150 -7.633 1.108 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.252 -8.353 -0.250 1.00 0.00 H new ATOM 0 HG23 ILE A 116 10.032 -8.385 -0.243 1.00 0.00 H new ATOM 0 HD11 ILE A 116 11.316 -4.734 1.430 1.00 0.00 H new ATOM 0 HD12 ILE A 116 9.537 -4.731 1.456 1.00 0.00 H new ATOM 0 HD13 ILE A 116 10.429 -6.235 1.785 1.00 0.00 H new ATOM 1892 N PRO A 117 8.403 -8.862 -2.986 1.00 0.00 N ATOM 1893 CA PRO A 117 7.427 -9.886 -3.371 1.00 0.00 C ATOM 1894 C PRO A 117 6.625 -10.399 -2.180 1.00 0.00 C ATOM 1895 O PRO A 117 7.169 -10.610 -1.095 1.00 0.00 O ATOM 1896 CB PRO A 117 8.297 -11.005 -3.951 1.00 0.00 C ATOM 1897 CG PRO A 117 9.626 -10.827 -3.300 1.00 0.00 C ATOM 1898 CD PRO A 117 9.789 -9.347 -3.089 1.00 0.00 C ATOM 0 HA PRO A 117 6.684 -9.499 -4.069 1.00 0.00 H new ATOM 0 HB2 PRO A 117 7.877 -11.987 -3.732 1.00 0.00 H new ATOM 0 HB3 PRO A 117 8.373 -10.926 -5.035 1.00 0.00 H new ATOM 0 HG2 PRO A 117 9.671 -11.364 -2.352 1.00 0.00 H new ATOM 0 HG3 PRO A 117 10.424 -11.222 -3.928 1.00 0.00 H new ATOM 0 HD2 PRO A 117 10.359 -9.130 -2.185 1.00 0.00 H new ATOM 0 HD3 PRO A 117 10.318 -8.879 -3.919 1.00 0.00 H new ATOM 1906 N LEU A 118 5.328 -10.599 -2.388 1.00 0.00 N ATOM 1907 CA LEU A 118 4.450 -11.089 -1.331 1.00 0.00 C ATOM 1908 C LEU A 118 4.551 -12.605 -1.198 1.00 0.00 C ATOM 1909 O LEU A 118 4.059 -13.186 -0.232 1.00 0.00 O ATOM 1910 CB LEU A 118 3.002 -10.686 -1.617 1.00 0.00 C ATOM 1911 CG LEU A 118 2.676 -9.200 -1.464 1.00 0.00 C ATOM 1912 CD1 LEU A 118 1.412 -8.849 -2.233 1.00 0.00 C ATOM 1913 CD2 LEU A 118 2.526 -8.836 0.006 1.00 0.00 C ATOM 0 H LEU A 118 4.861 -10.429 -3.279 1.00 0.00 H new ATOM 0 HA LEU A 118 4.768 -10.639 -0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 118 2.756 -10.988 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.350 -11.251 -0.950 1.00 0.00 H new ATOM 0 HG LEU A 118 3.502 -8.622 -1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 118 1.196 -7.788 -2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 118 1.555 -9.072 -3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.577 -9.435 -1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 118 2.294 -7.775 0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.719 -9.422 0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.457 -9.050 0.531 1.00 0.00 H new ATOM 1925 N ASN A 119 5.194 -13.238 -2.173 1.00 0.00 N ATOM 1926 CA ASN A 119 5.362 -14.687 -2.163 1.00 0.00 C ATOM 1927 C ASN A 119 6.470 -15.100 -1.199 1.00 0.00 C ATOM 1928 O ASN A 119 6.503 -16.234 -0.723 1.00 0.00 O ATOM 1929 CB ASN A 119 5.681 -15.194 -3.571 1.00 0.00 C ATOM 1930 CG ASN A 119 5.656 -16.707 -3.660 1.00 0.00 C ATOM 1931 OD1 ASN A 119 6.255 -17.399 -2.836 1.00 0.00 O ATOM 1932 ND2 ASN A 119 4.960 -17.230 -4.664 1.00 0.00 N ATOM 0 H ASN A 119 5.607 -12.771 -2.980 1.00 0.00 H new ATOM 0 HA ASN A 119 4.427 -15.134 -1.826 1.00 0.00 H new ATOM 0 HB2 ASN A 119 4.960 -14.779 -4.275 1.00 0.00 H new ATOM 0 HB3 ASN A 119 6.664 -14.831 -3.871 1.00 0.00 H new ATOM 0 HD21 ASN A 119 4.907 -18.243 -4.775 1.00 0.00 H new ATOM 0 HD22 ASN A 119 4.479 -16.619 -5.324 1.00 0.00 H new ATOM 1939 N LYS A 120 7.376 -14.170 -0.915 1.00 0.00 N ATOM 1940 CA LYS A 120 8.486 -14.435 -0.007 1.00 0.00 C ATOM 1941 C LYS A 120 8.066 -14.216 1.443 1.00 0.00 C ATOM 1942 O LYS A 120 8.360 -15.033 2.316 1.00 0.00 O ATOM 1943 CB LYS A 120 9.676 -13.534 -0.346 1.00 0.00 C ATOM 1944 CG LYS A 120 10.375 -13.912 -1.640 1.00 0.00 C ATOM 1945 CD LYS A 120 11.453 -14.958 -1.407 1.00 0.00 C ATOM 1946 CE LYS A 120 12.388 -15.071 -2.601 1.00 0.00 C ATOM 1947 NZ LYS A 120 13.444 -16.097 -2.383 1.00 0.00 N ATOM 0 H LYS A 120 7.363 -13.226 -1.301 1.00 0.00 H new ATOM 0 HA LYS A 120 8.781 -15.477 -0.128 1.00 0.00 H new ATOM 0 HB2 LYS A 120 9.331 -12.502 -0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 120 10.396 -13.574 0.471 1.00 0.00 H new ATOM 0 HG2 LYS A 120 9.643 -14.295 -2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 120 10.820 -13.023 -2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 120 12.027 -14.698 -0.517 1.00 0.00 H new ATOM 0 HD3 LYS A 120 10.988 -15.925 -1.215 1.00 0.00 H new ATOM 0 HE2 LYS A 120 11.812 -15.326 -3.490 1.00 0.00 H new ATOM 0 HE3 LYS A 120 12.854 -14.104 -2.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 14.061 -16.144 -3.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 14.010 -15.841 -1.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 13.000 -17.025 -2.228 1.00 0.00 H new ATOM 1961 N VAL A 121 7.374 -13.109 1.693 1.00 0.00 N ATOM 1962 CA VAL A 121 6.911 -12.784 3.037 1.00 0.00 C ATOM 1963 C VAL A 121 5.843 -13.767 3.503 1.00 0.00 C ATOM 1964 O VAL A 121 4.831 -13.965 2.831 1.00 0.00 O ATOM 1965 CB VAL A 121 6.342 -11.354 3.105 1.00 0.00 C ATOM 1966 CG1 VAL A 121 5.478 -11.066 1.887 1.00 0.00 C ATOM 1967 CG2 VAL A 121 5.551 -11.156 4.389 1.00 0.00 C ATOM 0 H VAL A 121 7.122 -12.422 0.982 1.00 0.00 H new ATOM 0 HA VAL A 121 7.777 -12.854 3.695 1.00 0.00 H new ATOM 0 HB VAL A 121 7.174 -10.650 3.106 1.00 0.00 H new ATOM 0 HG11 VAL A 121 5.084 -10.052 1.952 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.079 -11.165 0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 121 4.651 -11.775 1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.156 -10.140 4.420 1.00 0.00 H new ATOM 0 HG22 VAL A 121 4.726 -11.867 4.421 1.00 0.00 H new ATOM 0 HG23 VAL A 121 6.203 -11.318 5.247 1.00 0.00 H new ATOM 1977 N ASP A 122 6.076 -14.380 4.658 1.00 0.00 N ATOM 1978 CA ASP A 122 5.132 -15.343 5.216 1.00 0.00 C ATOM 1979 C ASP A 122 3.798 -14.675 5.532 1.00 0.00 C ATOM 1980 O ASP A 122 3.504 -14.367 6.688 1.00 0.00 O ATOM 1981 CB ASP A 122 5.710 -15.981 6.481 1.00 0.00 C ATOM 1982 CG ASP A 122 6.979 -16.763 6.207 1.00 0.00 C ATOM 1983 OD1 ASP A 122 6.969 -17.605 5.285 1.00 0.00 O ATOM 1984 OD2 ASP A 122 7.982 -16.534 6.914 1.00 0.00 O ATOM 0 H ASP A 122 6.909 -14.228 5.226 1.00 0.00 H new ATOM 0 HA ASP A 122 4.961 -16.121 4.472 1.00 0.00 H new ATOM 0 HB2 ASP A 122 5.918 -15.202 7.215 1.00 0.00 H new ATOM 0 HB3 ASP A 122 4.966 -16.644 6.922 1.00 0.00 H new ATOM 1989 N LEU A 123 2.994 -14.452 4.499 1.00 0.00 N ATOM 1990 CA LEU A 123 1.690 -13.819 4.665 1.00 0.00 C ATOM 1991 C LEU A 123 0.890 -14.504 5.769 1.00 0.00 C ATOM 1992 O LEU A 123 0.164 -13.852 6.520 1.00 0.00 O ATOM 1993 CB LEU A 123 0.908 -13.863 3.351 1.00 0.00 C ATOM 1994 CG LEU A 123 1.354 -12.875 2.272 1.00 0.00 C ATOM 1995 CD1 LEU A 123 0.685 -13.197 0.945 1.00 0.00 C ATOM 1996 CD2 LEU A 123 1.042 -11.447 2.696 1.00 0.00 C ATOM 0 H LEU A 123 3.222 -14.700 3.536 1.00 0.00 H new ATOM 0 HA LEU A 123 1.852 -12.779 4.949 1.00 0.00 H new ATOM 0 HB2 LEU A 123 0.978 -14.871 2.943 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -0.144 -13.680 3.571 1.00 0.00 H new ATOM 0 HG LEU A 123 2.432 -12.968 2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 123 1.014 -12.484 0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 123 0.958 -14.206 0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -0.397 -13.132 1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 123 1.366 -10.757 1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -0.031 -11.340 2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 123 1.568 -11.220 3.623 1.00 0.00 H new ATOM 2008 N THR A 124 1.030 -15.823 5.864 1.00 0.00 N ATOM 2009 CA THR A 124 0.321 -16.596 6.876 1.00 0.00 C ATOM 2010 C THR A 124 0.237 -15.831 8.192 1.00 0.00 C ATOM 2011 O THR A 124 -0.715 -15.994 8.954 1.00 0.00 O ATOM 2012 CB THR A 124 1.005 -17.953 7.127 1.00 0.00 C ATOM 2013 OG1 THR A 124 0.845 -18.337 8.497 1.00 0.00 O ATOM 2014 CG2 THR A 124 2.486 -17.885 6.784 1.00 0.00 C ATOM 0 H THR A 124 1.628 -16.378 5.252 1.00 0.00 H new ATOM 0 HA THR A 124 -0.685 -16.770 6.495 1.00 0.00 H new ATOM 0 HB THR A 124 0.533 -18.696 6.484 1.00 0.00 H new ATOM 0 HG1 THR A 124 1.281 -19.201 8.648 1.00 0.00 H new ATOM 0 HG21 THR A 124 2.947 -18.855 6.969 1.00 0.00 H new ATOM 0 HG22 THR A 124 2.604 -17.622 5.733 1.00 0.00 H new ATOM 0 HG23 THR A 124 2.969 -17.129 7.404 1.00 0.00 H new ATOM 2022 N GLN A 125 1.238 -14.997 8.452 1.00 0.00 N ATOM 2023 CA GLN A 125 1.276 -14.207 9.677 1.00 0.00 C ATOM 2024 C GLN A 125 1.822 -12.809 9.407 1.00 0.00 C ATOM 2025 O GLN A 125 2.600 -12.605 8.476 1.00 0.00 O ATOM 2026 CB GLN A 125 2.132 -14.907 10.734 1.00 0.00 C ATOM 2027 CG GLN A 125 3.497 -15.340 10.222 1.00 0.00 C ATOM 2028 CD GLN A 125 4.025 -16.568 10.936 1.00 0.00 C ATOM 2029 OE1 GLN A 125 3.296 -17.234 11.671 1.00 0.00 O ATOM 2030 NE2 GLN A 125 5.299 -16.875 10.722 1.00 0.00 N ATOM 0 H GLN A 125 2.034 -14.851 7.831 1.00 0.00 H new ATOM 0 HA GLN A 125 0.256 -14.112 10.050 1.00 0.00 H new ATOM 0 HB2 GLN A 125 2.267 -14.236 11.582 1.00 0.00 H new ATOM 0 HB3 GLN A 125 1.597 -15.782 11.102 1.00 0.00 H new ATOM 0 HG2 GLN A 125 3.432 -15.546 9.154 1.00 0.00 H new ATOM 0 HG3 GLN A 125 4.204 -14.520 10.346 1.00 0.00 H new ATOM 0 HE21 GLN A 125 5.867 -16.295 10.105 1.00 0.00 H new ATOM 0 HE22 GLN A 125 5.710 -17.691 11.175 1.00 0.00 H new ATOM 2039 N MET A 126 1.407 -11.849 10.227 1.00 0.00 N ATOM 2040 CA MET A 126 1.856 -10.469 10.077 1.00 0.00 C ATOM 2041 C MET A 126 3.368 -10.367 10.251 1.00 0.00 C ATOM 2042 O MET A 126 3.937 -10.962 11.165 1.00 0.00 O ATOM 2043 CB MET A 126 1.152 -9.568 11.093 1.00 0.00 C ATOM 2044 CG MET A 126 0.960 -8.140 10.608 1.00 0.00 C ATOM 2045 SD MET A 126 -0.602 -7.907 9.737 1.00 0.00 S ATOM 2046 CE MET A 126 -0.050 -7.014 8.285 1.00 0.00 C ATOM 0 H MET A 126 0.761 -12.001 11.002 1.00 0.00 H new ATOM 0 HA MET A 126 1.601 -10.138 9.070 1.00 0.00 H new ATOM 0 HB2 MET A 126 0.178 -9.996 11.333 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.730 -9.555 12.017 1.00 0.00 H new ATOM 0 HG2 MET A 126 1.001 -7.462 11.461 1.00 0.00 H new ATOM 0 HG3 MET A 126 1.784 -7.871 9.947 1.00 0.00 H new ATOM 0 HE1 MET A 126 -0.447 -5.999 8.309 1.00 0.00 H new ATOM 0 HE2 MET A 126 1.039 -6.978 8.272 1.00 0.00 H new ATOM 0 HE3 MET A 126 -0.406 -7.521 7.389 1.00 0.00 H new ATOM 2056 N GLN A 127 4.011 -9.611 9.367 1.00 0.00 N ATOM 2057 CA GLN A 127 5.458 -9.433 9.424 1.00 0.00 C ATOM 2058 C GLN A 127 5.846 -8.006 9.052 1.00 0.00 C ATOM 2059 O GLN A 127 5.418 -7.482 8.022 1.00 0.00 O ATOM 2060 CB GLN A 127 6.151 -10.423 8.488 1.00 0.00 C ATOM 2061 CG GLN A 127 5.603 -11.838 8.584 1.00 0.00 C ATOM 2062 CD GLN A 127 6.635 -12.889 8.224 1.00 0.00 C ATOM 2063 OE1 GLN A 127 7.341 -12.765 7.223 1.00 0.00 O ATOM 2064 NE2 GLN A 127 6.727 -13.932 9.041 1.00 0.00 N ATOM 0 H GLN A 127 3.554 -9.112 8.604 1.00 0.00 H new ATOM 0 HA GLN A 127 5.782 -9.623 10.447 1.00 0.00 H new ATOM 0 HB2 GLN A 127 6.049 -10.072 7.461 1.00 0.00 H new ATOM 0 HB3 GLN A 127 7.217 -10.439 8.715 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.246 -12.017 9.598 1.00 0.00 H new ATOM 0 HG3 GLN A 127 4.743 -11.936 7.921 1.00 0.00 H new ATOM 0 HE21 GLN A 127 6.122 -13.994 9.860 1.00 0.00 H new ATOM 0 HE22 GLN A 127 7.403 -14.671 8.850 1.00 0.00 H new ATOM 2073 N THR A 128 6.658 -7.379 9.897 1.00 0.00 N ATOM 2074 CA THR A 128 7.103 -6.012 9.658 1.00 0.00 C ATOM 2075 C THR A 128 8.427 -5.988 8.904 1.00 0.00 C ATOM 2076 O THR A 128 9.332 -6.771 9.193 1.00 0.00 O ATOM 2077 CB THR A 128 7.263 -5.234 10.978 1.00 0.00 C ATOM 2078 OG1 THR A 128 6.185 -5.549 11.866 1.00 0.00 O ATOM 2079 CG2 THR A 128 7.295 -3.735 10.723 1.00 0.00 C ATOM 0 H THR A 128 7.021 -7.797 10.754 1.00 0.00 H new ATOM 0 HA THR A 128 6.335 -5.532 9.052 1.00 0.00 H new ATOM 0 HB THR A 128 8.208 -5.529 11.435 1.00 0.00 H new ATOM 0 HG1 THR A 128 6.295 -5.052 12.703 1.00 0.00 H new ATOM 0 HG21 THR A 128 7.409 -3.207 11.670 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.135 -3.495 10.071 1.00 0.00 H new ATOM 0 HG23 THR A 128 6.365 -3.427 10.245 1.00 0.00 H new ATOM 2087 N PHE A 129 8.535 -5.084 7.935 1.00 0.00 N ATOM 2088 CA PHE A 129 9.750 -4.959 7.139 1.00 0.00 C ATOM 2089 C PHE A 129 10.320 -3.547 7.234 1.00 0.00 C ATOM 2090 O PHE A 129 9.583 -2.563 7.168 1.00 0.00 O ATOM 2091 CB PHE A 129 9.465 -5.308 5.677 1.00 0.00 C ATOM 2092 CG PHE A 129 9.380 -6.786 5.419 1.00 0.00 C ATOM 2093 CD1 PHE A 129 10.521 -7.571 5.427 1.00 0.00 C ATOM 2094 CD2 PHE A 129 8.158 -7.389 5.169 1.00 0.00 C ATOM 2095 CE1 PHE A 129 10.445 -8.930 5.189 1.00 0.00 C ATOM 2096 CE2 PHE A 129 8.075 -8.748 4.931 1.00 0.00 C ATOM 2097 CZ PHE A 129 9.221 -9.520 4.942 1.00 0.00 C ATOM 0 H PHE A 129 7.796 -4.428 7.683 1.00 0.00 H new ATOM 0 HA PHE A 129 10.487 -5.657 7.535 1.00 0.00 H new ATOM 0 HB2 PHE A 129 8.528 -4.840 5.376 1.00 0.00 H new ATOM 0 HB3 PHE A 129 10.249 -4.882 5.051 1.00 0.00 H new ATOM 0 HD1 PHE A 129 11.481 -7.116 5.621 1.00 0.00 H new ATOM 0 HD2 PHE A 129 7.259 -6.790 5.160 1.00 0.00 H new ATOM 0 HE1 PHE A 129 11.343 -9.531 5.196 1.00 0.00 H new ATOM 0 HE2 PHE A 129 7.116 -9.206 4.737 1.00 0.00 H new ATOM 0 HZ PHE A 129 9.160 -10.582 4.758 1.00 0.00 H new ATOM 2107 N TRP A 130 11.636 -3.456 7.391 1.00 0.00 N ATOM 2108 CA TRP A 130 12.305 -2.164 7.496 1.00 0.00 C ATOM 2109 C TRP A 130 13.344 -1.998 6.393 1.00 0.00 C ATOM 2110 O TRP A 130 14.432 -2.571 6.460 1.00 0.00 O ATOM 2111 CB TRP A 130 12.970 -2.021 8.866 1.00 0.00 C ATOM 2112 CG TRP A 130 12.030 -1.556 9.937 1.00 0.00 C ATOM 2113 CD1 TRP A 130 11.341 -2.337 10.820 1.00 0.00 C ATOM 2114 CD2 TRP A 130 11.675 -0.201 10.236 1.00 0.00 C ATOM 2115 NE1 TRP A 130 10.579 -1.550 11.649 1.00 0.00 N ATOM 2116 CE2 TRP A 130 10.767 -0.236 11.312 1.00 0.00 C ATOM 2117 CE3 TRP A 130 12.037 1.038 9.700 1.00 0.00 C ATOM 2118 CZ2 TRP A 130 10.217 0.920 11.860 1.00 0.00 C ATOM 2119 CZ3 TRP A 130 11.491 2.184 10.245 1.00 0.00 C ATOM 2120 CH2 TRP A 130 10.589 2.119 11.316 1.00 0.00 C ATOM 0 H TRP A 130 12.260 -4.261 7.448 1.00 0.00 H new ATOM 0 HA TRP A 130 11.553 -1.383 7.382 1.00 0.00 H new ATOM 0 HB2 TRP A 130 13.395 -2.981 9.158 1.00 0.00 H new ATOM 0 HB3 TRP A 130 13.798 -1.316 8.788 1.00 0.00 H new ATOM 0 HD1 TRP A 130 11.388 -3.415 10.861 1.00 0.00 H new ATOM 0 HE1 TRP A 130 9.972 -1.889 12.395 1.00 0.00 H new ATOM 0 HE3 TRP A 130 12.731 1.098 8.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 9.522 0.872 12.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 11.764 3.147 9.839 1.00 0.00 H new ATOM 0 HH2 TRP A 130 10.180 3.033 11.720 1.00 0.00 H new ATOM 2131 N LYS A 131 13.004 -1.210 5.379 1.00 0.00 N ATOM 2132 CA LYS A 131 13.908 -0.967 4.262 1.00 0.00 C ATOM 2133 C LYS A 131 14.147 0.528 4.071 1.00 0.00 C ATOM 2134 O LYS A 131 13.394 1.357 4.581 1.00 0.00 O ATOM 2135 CB LYS A 131 13.338 -1.571 2.976 1.00 0.00 C ATOM 2136 CG LYS A 131 12.785 -2.974 3.157 1.00 0.00 C ATOM 2137 CD LYS A 131 13.890 -4.017 3.121 1.00 0.00 C ATOM 2138 CE LYS A 131 13.333 -5.410 2.873 1.00 0.00 C ATOM 2139 NZ LYS A 131 14.183 -6.466 3.491 1.00 0.00 N ATOM 0 H LYS A 131 12.108 -0.728 5.308 1.00 0.00 H new ATOM 0 HA LYS A 131 14.861 -1.444 4.489 1.00 0.00 H new ATOM 0 HB2 LYS A 131 12.546 -0.923 2.600 1.00 0.00 H new ATOM 0 HB3 LYS A 131 14.120 -1.593 2.217 1.00 0.00 H new ATOM 0 HG2 LYS A 131 12.254 -3.037 4.107 1.00 0.00 H new ATOM 0 HG3 LYS A 131 12.059 -3.184 2.372 1.00 0.00 H new ATOM 0 HD2 LYS A 131 14.605 -3.765 2.337 1.00 0.00 H new ATOM 0 HD3 LYS A 131 14.435 -4.004 4.065 1.00 0.00 H new ATOM 0 HE2 LYS A 131 12.323 -5.474 3.277 1.00 0.00 H new ATOM 0 HE3 LYS A 131 13.259 -5.586 1.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 13.769 -7.401 3.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 15.140 -6.422 3.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 14.233 -6.314 4.519 1.00 0.00 H new ATOM 2153 N ASP A 132 15.199 0.864 3.332 1.00 0.00 N ATOM 2154 CA ASP A 132 15.536 2.259 3.071 1.00 0.00 C ATOM 2155 C ASP A 132 15.023 2.695 1.702 1.00 0.00 C ATOM 2156 O ASP A 132 15.463 2.184 0.671 1.00 0.00 O ATOM 2157 CB ASP A 132 17.049 2.464 3.152 1.00 0.00 C ATOM 2158 CG ASP A 132 17.822 1.343 2.485 1.00 0.00 C ATOM 2159 OD1 ASP A 132 17.635 0.175 2.884 1.00 0.00 O ATOM 2160 OD2 ASP A 132 18.614 1.634 1.565 1.00 0.00 O ATOM 0 H ASP A 132 15.833 0.190 2.903 1.00 0.00 H new ATOM 0 HA ASP A 132 15.053 2.872 3.832 1.00 0.00 H new ATOM 0 HB2 ASP A 132 17.310 3.412 2.681 1.00 0.00 H new ATOM 0 HB3 ASP A 132 17.348 2.535 4.198 1.00 0.00 H new ATOM 2165 N LEU A 133 14.091 3.641 1.700 1.00 0.00 N ATOM 2166 CA LEU A 133 13.517 4.146 0.457 1.00 0.00 C ATOM 2167 C LEU A 133 14.602 4.382 -0.588 1.00 0.00 C ATOM 2168 O LEU A 133 15.392 5.320 -0.478 1.00 0.00 O ATOM 2169 CB LEU A 133 12.752 5.445 0.717 1.00 0.00 C ATOM 2170 CG LEU A 133 11.586 5.353 1.701 1.00 0.00 C ATOM 2171 CD1 LEU A 133 11.231 6.730 2.240 1.00 0.00 C ATOM 2172 CD2 LEU A 133 10.377 4.710 1.037 1.00 0.00 C ATOM 0 H LEU A 133 13.716 4.074 2.544 1.00 0.00 H new ATOM 0 HA LEU A 133 12.827 3.395 0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 133 13.456 6.190 1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 133 12.370 5.814 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 133 11.892 4.726 2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 133 10.399 6.644 2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 133 12.094 7.153 2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 133 10.945 7.381 1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 133 9.557 4.653 1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 133 10.070 5.310 0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 133 10.637 3.706 0.702 1.00 0.00 H new ATOM 2184 N LYS A 134 14.635 3.526 -1.603 1.00 0.00 N ATOM 2185 CA LYS A 134 15.621 3.641 -2.671 1.00 0.00 C ATOM 2186 C LYS A 134 15.399 4.915 -3.481 1.00 0.00 C ATOM 2187 O LYS A 134 14.309 5.488 -3.496 1.00 0.00 O ATOM 2188 CB LYS A 134 15.552 2.421 -3.592 1.00 0.00 C ATOM 2189 CG LYS A 134 16.308 1.215 -3.061 1.00 0.00 C ATOM 2190 CD LYS A 134 17.811 1.424 -3.132 1.00 0.00 C ATOM 2191 CE LYS A 134 18.563 0.308 -2.422 1.00 0.00 C ATOM 2192 NZ LYS A 134 18.477 -0.979 -3.165 1.00 0.00 N ATOM 0 H LYS A 134 13.989 2.744 -1.709 1.00 0.00 H new ATOM 0 HA LYS A 134 16.610 3.688 -2.214 1.00 0.00 H new ATOM 0 HB2 LYS A 134 14.507 2.148 -3.742 1.00 0.00 H new ATOM 0 HB3 LYS A 134 15.954 2.690 -4.569 1.00 0.00 H new ATOM 0 HG2 LYS A 134 16.014 1.026 -2.028 1.00 0.00 H new ATOM 0 HG3 LYS A 134 16.035 0.331 -3.637 1.00 0.00 H new ATOM 0 HD2 LYS A 134 18.124 1.469 -4.175 1.00 0.00 H new ATOM 0 HD3 LYS A 134 18.068 2.382 -2.680 1.00 0.00 H new ATOM 0 HE2 LYS A 134 19.609 0.591 -2.307 1.00 0.00 H new ATOM 0 HE3 LYS A 134 18.156 0.176 -1.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 19.002 -1.714 -2.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 17.480 -1.263 -3.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 18.889 -0.861 -4.113 1.00 0.00 H new ATOM 2206 N PRO A 135 16.454 5.369 -4.172 1.00 0.00 N ATOM 2207 CA PRO A 135 16.398 6.579 -4.999 1.00 0.00 C ATOM 2208 C PRO A 135 15.540 6.390 -6.245 1.00 0.00 C ATOM 2209 O PRO A 135 15.998 5.845 -7.249 1.00 0.00 O ATOM 2210 CB PRO A 135 17.861 6.811 -5.387 1.00 0.00 C ATOM 2211 CG PRO A 135 18.491 5.463 -5.311 1.00 0.00 C ATOM 2212 CD PRO A 135 17.784 4.737 -4.201 1.00 0.00 C ATOM 0 HA PRO A 135 15.946 7.416 -4.467 1.00 0.00 H new ATOM 0 HB2 PRO A 135 17.943 7.230 -6.390 1.00 0.00 H new ATOM 0 HB3 PRO A 135 18.344 7.513 -4.707 1.00 0.00 H new ATOM 0 HG2 PRO A 135 18.386 4.929 -6.256 1.00 0.00 H new ATOM 0 HG3 PRO A 135 19.559 5.542 -5.107 1.00 0.00 H new ATOM 0 HD2 PRO A 135 17.716 3.667 -4.400 1.00 0.00 H new ATOM 0 HD3 PRO A 135 18.304 4.852 -3.250 1.00 0.00 H new ATOM 2220 N SER A 136 14.293 6.845 -6.173 1.00 0.00 N ATOM 2221 CA SER A 136 13.369 6.723 -7.295 1.00 0.00 C ATOM 2222 C SER A 136 13.608 7.829 -8.318 1.00 0.00 C ATOM 2223 O SER A 136 12.911 7.917 -9.328 1.00 0.00 O ATOM 2224 CB SER A 136 11.923 6.775 -6.799 1.00 0.00 C ATOM 2225 OG SER A 136 11.556 5.561 -6.166 1.00 0.00 O ATOM 0 H SER A 136 13.899 7.301 -5.350 1.00 0.00 H new ATOM 0 HA SER A 136 13.546 5.762 -7.777 1.00 0.00 H new ATOM 0 HB2 SER A 136 11.805 7.603 -6.100 1.00 0.00 H new ATOM 0 HB3 SER A 136 11.254 6.968 -7.638 1.00 0.00 H new ATOM 0 HG SER A 136 12.287 5.260 -5.587 1.00 0.00 H new