USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 GLN : amide:sc= -1.66 K(o=-1.7,f=0.13) USER MOD Set 1.2: A 56 THR OG1 : rot -170:sc= 0 USER MOD Set 2.1: A 28 GLN : amide:sc=-0.00101 X(o=-0.0011,f=-0.35) USER MOD Set 2.2: A 31 HIS : no HD1:sc=-8.49e-05 K(o=-0.0011,f=-1.8!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.39) USER MOD Single : A 16 GLN : amide:sc= -0.534 X(o=-0.53,f=-0.13) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 CYS SG : rot 180:sc= -2.01 USER MOD Single : A 20 TYR OH : rot 134:sc= 0.727 USER MOD Single : A 21 TYR OH : rot 130:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -1.15 K(o=-1.1,f=-1.7) USER MOD Single : A 45 SER OG : rot -97:sc= 1.15 USER MOD Single : A 47 HIS : no HE2:sc= 0.223 K(o=0.22,f=-2.3) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -0.242 K(o=-0.24,f=-1.4) USER MOD Single : A 64 SER OG : rot -100:sc= -0.142 USER MOD Single : A 70 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.14) USER MOD Single : A 83 SER OG : rot -36:sc= 0.403 USER MOD Single : A 84 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-3.9!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -2.04! USER MOD Single : A 89 ASN : amide:sc= -1.93 X(o=-1.9,f=-1.6) USER MOD Single : A 104 CYS SG : rot -138:sc= 0.672 USER MOD Single : A 106 MET CE :methyl -126:sc= 0 (180deg=-0.0105) USER MOD Single : A 114 ASN : amide:sc= -0.07 X(o=-0.07,f=-0.07) USER MOD ----------------------------------------------------------------- ATOM 134 N LYS A 11 -9.679 -2.008 6.221 1.00 0.00 N ATOM 135 CA LYS A 11 -9.127 -0.844 5.535 1.00 0.00 C ATOM 136 C LYS A 11 -8.529 -1.272 4.200 1.00 0.00 C ATOM 137 O LYS A 11 -9.104 -1.012 3.146 1.00 0.00 O ATOM 138 CB LYS A 11 -8.067 -0.155 6.397 1.00 0.00 C ATOM 139 CG LYS A 11 -8.548 0.177 7.801 1.00 0.00 C ATOM 140 CD LYS A 11 -7.550 -0.278 8.853 1.00 0.00 C ATOM 141 CE LYS A 11 -8.240 -0.618 10.165 1.00 0.00 C ATOM 142 NZ LYS A 11 -7.300 -1.229 11.145 1.00 0.00 N ATOM 0 HA LYS A 11 -9.931 -0.130 5.356 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.190 -0.799 6.465 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.750 0.764 5.904 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.706 1.252 7.888 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.511 -0.302 7.980 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.008 -1.151 8.489 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.813 0.507 9.021 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.673 0.286 10.593 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.064 -1.306 9.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.809 -1.446 12.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.906 -2.106 10.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.527 -0.563 11.347 1.00 0.00 H new ATOM 155 N TRP A 12 -7.382 -1.946 4.268 1.00 0.00 N ATOM 156 CA TRP A 12 -6.691 -2.451 3.077 1.00 0.00 C ATOM 157 C TRP A 12 -7.706 -2.879 2.013 1.00 0.00 C ATOM 158 O TRP A 12 -8.647 -3.615 2.310 1.00 0.00 O ATOM 159 CB TRP A 12 -5.786 -3.638 3.446 1.00 0.00 C ATOM 160 CG TRP A 12 -4.953 -3.437 4.690 1.00 0.00 C ATOM 161 CD1 TRP A 12 -4.862 -2.310 5.461 1.00 0.00 C ATOM 162 CD2 TRP A 12 -4.085 -4.402 5.300 1.00 0.00 C ATOM 163 NE1 TRP A 12 -4.005 -2.521 6.512 1.00 0.00 N ATOM 164 CE2 TRP A 12 -3.513 -3.795 6.435 1.00 0.00 C ATOM 165 CE3 TRP A 12 -3.739 -5.721 4.999 1.00 0.00 C ATOM 166 CZ2 TRP A 12 -2.616 -4.463 7.265 1.00 0.00 C ATOM 167 CZ3 TRP A 12 -2.848 -6.382 5.823 1.00 0.00 C ATOM 168 CH2 TRP A 12 -2.296 -5.753 6.945 1.00 0.00 C ATOM 0 H TRP A 12 -6.905 -2.158 5.145 1.00 0.00 H new ATOM 0 HA TRP A 12 -6.073 -1.650 2.672 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.408 -4.523 3.581 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.119 -3.842 2.608 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.389 -1.387 5.270 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.773 -1.838 7.234 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -4.161 -6.216 4.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -2.188 -3.979 8.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.573 -7.402 5.597 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.604 -6.297 7.570 1.00 0.00 H new ATOM 179 N ILE A 13 -7.531 -2.398 0.781 1.00 0.00 N ATOM 180 CA ILE A 13 -8.461 -2.725 -0.303 1.00 0.00 C ATOM 181 C ILE A 13 -7.747 -3.234 -1.555 1.00 0.00 C ATOM 182 O ILE A 13 -6.855 -2.577 -2.083 1.00 0.00 O ATOM 183 CB ILE A 13 -9.317 -1.501 -0.691 1.00 0.00 C ATOM 184 CG1 ILE A 13 -9.089 -0.346 0.299 1.00 0.00 C ATOM 185 CG2 ILE A 13 -10.783 -1.894 -0.755 1.00 0.00 C ATOM 186 CD1 ILE A 13 -10.352 0.391 0.704 1.00 0.00 C ATOM 0 H ILE A 13 -6.761 -1.786 0.510 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.098 -3.521 0.082 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.014 -1.153 -1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.610 -0.741 1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.394 0.366 -0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.381 -1.025 -1.029 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.917 -2.677 -1.501 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.104 -2.262 0.219 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -10.100 1.188 1.403 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.823 0.819 -0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.042 -0.305 1.181 1.00 0.00 H new ATOM 198 N ASN A 14 -8.168 -4.403 -2.037 1.00 0.00 N ATOM 199 CA ASN A 14 -7.584 -5.001 -3.237 1.00 0.00 C ATOM 200 C ASN A 14 -8.514 -4.838 -4.436 1.00 0.00 C ATOM 201 O ASN A 14 -9.733 -4.753 -4.281 1.00 0.00 O ATOM 202 CB ASN A 14 -7.283 -6.483 -3.009 1.00 0.00 C ATOM 203 CG ASN A 14 -7.026 -7.231 -4.303 1.00 0.00 C ATOM 204 OD1 ASN A 14 -7.758 -8.155 -4.655 1.00 0.00 O ATOM 205 ND2 ASN A 14 -5.979 -6.836 -5.017 1.00 0.00 N ATOM 0 H ASN A 14 -8.913 -4.956 -1.613 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.650 -4.480 -3.449 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.413 -6.578 -2.360 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.121 -6.944 -2.487 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.755 -7.304 -5.895 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.399 -6.065 -4.687 1.00 0.00 H new ATOM 212 N PHE A 15 -7.932 -4.790 -5.631 1.00 0.00 N ATOM 213 CA PHE A 15 -8.708 -4.633 -6.855 1.00 0.00 C ATOM 214 C PHE A 15 -8.333 -5.704 -7.881 1.00 0.00 C ATOM 215 O PHE A 15 -8.294 -6.891 -7.557 1.00 0.00 O ATOM 216 CB PHE A 15 -8.494 -3.234 -7.442 1.00 0.00 C ATOM 217 CG PHE A 15 -8.401 -2.154 -6.403 1.00 0.00 C ATOM 218 CD1 PHE A 15 -9.543 -1.532 -5.926 1.00 0.00 C ATOM 219 CD2 PHE A 15 -7.170 -1.760 -5.905 1.00 0.00 C ATOM 220 CE1 PHE A 15 -9.459 -0.537 -4.970 1.00 0.00 C ATOM 221 CE2 PHE A 15 -7.079 -0.767 -4.951 1.00 0.00 C ATOM 222 CZ PHE A 15 -8.225 -0.154 -4.482 1.00 0.00 C ATOM 0 H PHE A 15 -6.925 -4.858 -5.777 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.763 -4.754 -6.609 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.580 -3.234 -8.036 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.316 -3.004 -8.120 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.510 -1.828 -6.305 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.271 -2.236 -6.268 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.357 -0.060 -4.605 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.113 -0.469 -4.571 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.156 0.623 -3.735 1.00 0.00 H new ATOM 232 N GLN A 16 -8.059 -5.280 -9.116 1.00 0.00 N ATOM 233 CA GLN A 16 -7.689 -6.206 -10.181 1.00 0.00 C ATOM 234 C GLN A 16 -6.580 -7.148 -9.722 1.00 0.00 C ATOM 235 O GLN A 16 -6.661 -8.360 -9.920 1.00 0.00 O ATOM 236 CB GLN A 16 -7.237 -5.437 -11.423 1.00 0.00 C ATOM 237 CG GLN A 16 -6.332 -4.255 -11.111 1.00 0.00 C ATOM 238 CD GLN A 16 -6.907 -2.938 -11.594 1.00 0.00 C ATOM 239 OE1 GLN A 16 -7.401 -2.838 -12.717 1.00 0.00 O ATOM 240 NE2 GLN A 16 -6.843 -1.918 -10.746 1.00 0.00 N ATOM 0 H GLN A 16 -8.087 -4.301 -9.401 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.568 -6.801 -10.431 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.712 -6.119 -12.092 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.116 -5.079 -11.959 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.167 -4.202 -10.035 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.359 -4.415 -11.575 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.425 -2.046 -9.825 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.212 -1.006 -11.016 1.00 0.00 H new ATOM 249 N ARG A 17 -5.547 -6.583 -9.104 1.00 0.00 N ATOM 250 CA ARG A 17 -4.427 -7.376 -8.614 1.00 0.00 C ATOM 251 C ARG A 17 -3.563 -6.570 -7.652 1.00 0.00 C ATOM 252 O ARG A 17 -2.576 -7.075 -7.115 1.00 0.00 O ATOM 253 CB ARG A 17 -3.579 -7.882 -9.781 1.00 0.00 C ATOM 254 CG ARG A 17 -3.108 -6.778 -10.713 1.00 0.00 C ATOM 255 CD ARG A 17 -1.632 -6.923 -11.049 1.00 0.00 C ATOM 256 NE ARG A 17 -1.241 -6.078 -12.174 1.00 0.00 N ATOM 257 CZ ARG A 17 -0.248 -6.374 -13.007 1.00 0.00 C ATOM 258 NH1 ARG A 17 0.454 -7.487 -12.841 1.00 0.00 N ATOM 259 NH2 ARG A 17 0.045 -5.554 -14.008 1.00 0.00 N ATOM 0 H ARG A 17 -5.463 -5.581 -8.931 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.834 -8.231 -8.074 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.710 -8.409 -9.387 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.158 -8.607 -10.353 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.695 -6.801 -11.631 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.282 -5.808 -10.247 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.034 -6.663 -10.175 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.415 -7.965 -11.285 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.758 -5.213 -12.329 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.233 -8.120 -12.072 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.215 -7.710 -13.482 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.492 -4.696 -14.139 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.807 -5.781 -14.647 1.00 0.00 H new ATOM 273 N LYS A 18 -3.945 -5.319 -7.430 1.00 0.00 N ATOM 274 CA LYS A 18 -3.220 -4.447 -6.529 1.00 0.00 C ATOM 275 C LYS A 18 -4.082 -4.120 -5.322 1.00 0.00 C ATOM 276 O LYS A 18 -5.305 -4.199 -5.383 1.00 0.00 O ATOM 277 CB LYS A 18 -2.818 -3.161 -7.246 1.00 0.00 C ATOM 278 CG LYS A 18 -3.951 -2.158 -7.358 1.00 0.00 C ATOM 279 CD LYS A 18 -3.840 -1.329 -8.626 1.00 0.00 C ATOM 280 CE LYS A 18 -3.935 0.158 -8.329 1.00 0.00 C ATOM 281 NZ LYS A 18 -3.647 0.985 -9.534 1.00 0.00 N ATOM 0 H LYS A 18 -4.759 -4.888 -7.867 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.317 -4.958 -6.196 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.986 -2.701 -6.713 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.460 -3.407 -8.246 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.906 -2.684 -7.349 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.942 -1.499 -6.490 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.892 -1.543 -9.120 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.632 -1.614 -9.319 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.933 0.391 -7.959 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.233 0.415 -7.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.722 1.993 -9.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.685 0.782 -9.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.333 0.758 -10.283 1.00 0.00 H new ATOM 294 N CYS A 19 -3.441 -3.753 -4.231 1.00 0.00 N ATOM 295 CA CYS A 19 -4.157 -3.418 -3.014 1.00 0.00 C ATOM 296 C CYS A 19 -3.708 -2.071 -2.474 1.00 0.00 C ATOM 297 O CYS A 19 -2.653 -1.553 -2.842 1.00 0.00 O ATOM 298 CB CYS A 19 -3.952 -4.509 -1.957 1.00 0.00 C ATOM 299 SG CYS A 19 -4.965 -4.301 -0.453 1.00 0.00 S ATOM 0 H CYS A 19 -2.426 -3.679 -4.161 1.00 0.00 H new ATOM 0 HA CYS A 19 -5.219 -3.354 -3.252 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.180 -5.477 -2.403 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.900 -4.529 -1.672 1.00 0.00 H new ATOM 0 HG CYS A 19 -4.719 -5.274 0.374 1.00 0.00 H new ATOM 304 N TYR A 20 -4.518 -1.522 -1.589 1.00 0.00 N ATOM 305 CA TYR A 20 -4.239 -0.247 -0.961 1.00 0.00 C ATOM 306 C TYR A 20 -4.264 -0.425 0.539 1.00 0.00 C ATOM 307 O TYR A 20 -4.917 -1.325 1.063 1.00 0.00 O ATOM 308 CB TYR A 20 -5.262 0.820 -1.380 1.00 0.00 C ATOM 309 CG TYR A 20 -4.919 1.545 -2.665 1.00 0.00 C ATOM 310 CD1 TYR A 20 -4.313 0.884 -3.727 1.00 0.00 C ATOM 311 CD2 TYR A 20 -5.205 2.897 -2.813 1.00 0.00 C ATOM 312 CE1 TYR A 20 -4.001 1.549 -4.897 1.00 0.00 C ATOM 313 CE2 TYR A 20 -4.896 3.569 -3.981 1.00 0.00 C ATOM 314 CZ TYR A 20 -4.294 2.890 -5.020 1.00 0.00 C ATOM 315 OH TYR A 20 -3.985 3.555 -6.183 1.00 0.00 O ATOM 0 H TYR A 20 -5.392 -1.951 -1.285 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.255 0.094 -1.283 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.237 0.346 -1.494 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.355 1.552 -0.578 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.082 -0.167 -3.636 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.677 3.432 -2.002 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.529 1.020 -5.712 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.125 4.620 -4.079 1.00 0.00 H new ATOM 0 HH TYR A 20 -4.749 4.102 -6.460 1.00 0.00 H new ATOM 325 N TYR A 21 -3.541 0.428 1.214 1.00 0.00 N ATOM 326 CA TYR A 21 -3.446 0.386 2.657 1.00 0.00 C ATOM 327 C TYR A 21 -4.028 1.646 3.248 1.00 0.00 C ATOM 328 O TYR A 21 -3.510 2.721 3.018 1.00 0.00 O ATOM 329 CB TYR A 21 -1.983 0.272 3.096 1.00 0.00 C ATOM 330 CG TYR A 21 -1.442 -1.136 3.113 1.00 0.00 C ATOM 331 CD1 TYR A 21 -1.593 -1.934 4.236 1.00 0.00 C ATOM 332 CD2 TYR A 21 -0.767 -1.660 2.018 1.00 0.00 C ATOM 333 CE1 TYR A 21 -1.091 -3.217 4.269 1.00 0.00 C ATOM 334 CE2 TYR A 21 -0.259 -2.945 2.041 1.00 0.00 C ATOM 335 CZ TYR A 21 -0.424 -3.721 3.171 1.00 0.00 C ATOM 336 OH TYR A 21 0.080 -5.001 3.203 1.00 0.00 O ATOM 0 H TYR A 21 -2.998 1.175 0.782 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.001 -0.484 3.008 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.369 0.876 2.428 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.882 0.698 4.094 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.112 -1.544 5.099 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.637 -1.053 1.134 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.219 -3.826 5.152 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.263 -3.339 1.182 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.206 -5.485 2.400 1.00 0.00 H new ATOM 346 N PHE A 22 -5.082 1.515 4.023 1.00 0.00 N ATOM 347 CA PHE A 22 -5.687 2.667 4.660 1.00 0.00 C ATOM 348 C PHE A 22 -5.757 2.402 6.154 1.00 0.00 C ATOM 349 O PHE A 22 -6.824 2.471 6.764 1.00 0.00 O ATOM 350 CB PHE A 22 -7.090 2.935 4.105 1.00 0.00 C ATOM 351 CG PHE A 22 -7.142 3.209 2.623 1.00 0.00 C ATOM 352 CD1 PHE A 22 -6.105 3.867 1.983 1.00 0.00 C ATOM 353 CD2 PHE A 22 -8.239 2.813 1.873 1.00 0.00 C ATOM 354 CE1 PHE A 22 -6.160 4.123 0.625 1.00 0.00 C ATOM 355 CE2 PHE A 22 -8.299 3.066 0.514 1.00 0.00 C ATOM 356 CZ PHE A 22 -7.256 3.723 -0.110 1.00 0.00 C ATOM 0 H PHE A 22 -5.538 0.626 4.228 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.082 3.551 4.458 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.722 2.075 4.324 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.518 3.787 4.633 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.243 4.184 2.551 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -9.058 2.300 2.356 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.343 4.637 0.140 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.159 2.751 -0.058 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.299 3.923 -1.171 1.00 0.00 H new ATOM 366 N GLY A 23 -4.607 2.068 6.731 1.00 0.00 N ATOM 367 CA GLY A 23 -4.552 1.756 8.142 1.00 0.00 C ATOM 368 C GLY A 23 -4.345 2.987 9.004 1.00 0.00 C ATOM 369 O GLY A 23 -4.280 4.105 8.493 1.00 0.00 O ATOM 0 H GLY A 23 -3.713 2.009 6.244 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.477 1.262 8.437 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.742 1.050 8.323 1.00 0.00 H new ATOM 373 N LYS A 24 -4.241 2.783 10.313 1.00 0.00 N ATOM 374 CA LYS A 24 -4.041 3.889 11.241 1.00 0.00 C ATOM 375 C LYS A 24 -2.632 3.868 11.824 1.00 0.00 C ATOM 376 O LYS A 24 -2.113 2.812 12.187 1.00 0.00 O ATOM 377 CB LYS A 24 -5.073 3.833 12.369 1.00 0.00 C ATOM 378 CG LYS A 24 -5.093 2.506 13.110 1.00 0.00 C ATOM 379 CD LYS A 24 -4.456 2.625 14.485 1.00 0.00 C ATOM 380 CE LYS A 24 -5.505 2.662 15.585 1.00 0.00 C ATOM 381 NZ LYS A 24 -5.841 1.297 16.077 1.00 0.00 N ATOM 0 H LYS A 24 -4.292 1.865 10.754 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.170 4.818 10.686 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.866 4.633 13.080 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.063 4.023 11.954 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.122 2.161 13.213 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.562 1.754 12.526 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.784 1.783 14.650 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.849 3.530 14.529 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.140 3.267 16.415 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.407 3.145 15.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.559 1.365 16.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.213 0.727 15.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.985 0.845 16.458 1.00 0.00 H new ATOM 436 N GLN A 28 3.735 11.621 10.528 1.00 0.00 N ATOM 437 CA GLN A 28 4.422 12.442 9.535 1.00 0.00 C ATOM 438 C GLN A 28 4.414 11.760 8.172 1.00 0.00 C ATOM 439 O GLN A 28 4.189 10.555 8.072 1.00 0.00 O ATOM 440 CB GLN A 28 5.862 12.715 9.972 1.00 0.00 C ATOM 441 CG GLN A 28 5.966 13.504 11.268 1.00 0.00 C ATOM 442 CD GLN A 28 7.398 13.668 11.737 1.00 0.00 C ATOM 443 OE1 GLN A 28 8.096 12.688 11.994 1.00 0.00 O ATOM 444 NE2 GLN A 28 7.844 14.914 11.852 1.00 0.00 N ATOM 0 HA GLN A 28 3.891 13.390 9.453 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.383 11.765 10.092 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.375 13.262 9.181 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.519 14.488 11.127 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.389 13.000 12.043 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.231 15.698 11.628 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.800 15.087 12.164 1.00 0.00 H new ATOM 453 N TRP A 29 4.657 12.538 7.122 1.00 0.00 N ATOM 454 CA TRP A 29 4.670 11.999 5.767 1.00 0.00 C ATOM 455 C TRP A 29 5.759 10.948 5.599 1.00 0.00 C ATOM 456 O TRP A 29 5.505 9.851 5.106 1.00 0.00 O ATOM 457 CB TRP A 29 4.872 13.112 4.743 1.00 0.00 C ATOM 458 CG TRP A 29 4.821 12.605 3.338 1.00 0.00 C ATOM 459 CD1 TRP A 29 3.716 12.493 2.549 1.00 0.00 C ATOM 460 CD2 TRP A 29 5.923 12.122 2.562 1.00 0.00 C ATOM 461 NE1 TRP A 29 4.060 11.968 1.330 1.00 0.00 N ATOM 462 CE2 TRP A 29 5.410 11.734 1.312 1.00 0.00 C ATOM 463 CE3 TRP A 29 7.293 11.981 2.803 1.00 0.00 C ATOM 464 CZ2 TRP A 29 6.217 11.212 0.305 1.00 0.00 C ATOM 465 CZ3 TRP A 29 8.094 11.464 1.801 1.00 0.00 C ATOM 466 CH2 TRP A 29 7.553 11.085 0.566 1.00 0.00 C ATOM 0 H TRP A 29 4.847 13.538 7.183 1.00 0.00 H new ATOM 0 HA TRP A 29 3.702 11.527 5.597 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.104 13.873 4.881 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.834 13.594 4.918 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.716 12.776 2.841 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.416 11.782 0.561 1.00 0.00 H new ATOM 0 HE3 TRP A 29 7.717 12.270 3.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.803 10.918 -0.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 9.154 11.351 1.974 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.205 10.684 -0.196 1.00 0.00 H new ATOM 477 N VAL A 30 6.971 11.296 6.009 1.00 0.00 N ATOM 478 CA VAL A 30 8.105 10.384 5.904 1.00 0.00 C ATOM 479 C VAL A 30 7.798 9.066 6.594 1.00 0.00 C ATOM 480 O VAL A 30 8.276 8.009 6.186 1.00 0.00 O ATOM 481 CB VAL A 30 9.375 10.996 6.520 1.00 0.00 C ATOM 482 CG1 VAL A 30 9.938 12.075 5.612 1.00 0.00 C ATOM 483 CG2 VAL A 30 9.080 11.556 7.902 1.00 0.00 C ATOM 0 H VAL A 30 7.196 12.203 6.418 1.00 0.00 H new ATOM 0 HA VAL A 30 8.281 10.206 4.843 1.00 0.00 H new ATOM 0 HB VAL A 30 10.123 10.210 6.623 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.836 12.498 6.063 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.187 11.642 4.643 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.195 12.861 5.477 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.990 11.985 8.323 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.316 12.329 7.826 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.723 10.756 8.550 1.00 0.00 H new ATOM 493 N HIS A 31 6.988 9.136 7.640 1.00 0.00 N ATOM 494 CA HIS A 31 6.603 7.947 8.384 1.00 0.00 C ATOM 495 C HIS A 31 5.645 7.092 7.562 1.00 0.00 C ATOM 496 O HIS A 31 5.590 5.873 7.726 1.00 0.00 O ATOM 497 CB HIS A 31 5.961 8.335 9.716 1.00 0.00 C ATOM 498 CG HIS A 31 6.947 8.509 10.828 1.00 0.00 C ATOM 499 ND1 HIS A 31 7.957 9.449 10.800 1.00 0.00 N ATOM 500 CD2 HIS A 31 7.076 7.857 12.008 1.00 0.00 C ATOM 501 CE1 HIS A 31 8.664 9.368 11.913 1.00 0.00 C ATOM 502 NE2 HIS A 31 8.149 8.410 12.662 1.00 0.00 N ATOM 0 H HIS A 31 6.585 10.004 7.992 1.00 0.00 H new ATOM 0 HA HIS A 31 7.500 7.363 8.589 1.00 0.00 H new ATOM 0 HB2 HIS A 31 5.406 9.264 9.585 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.239 7.569 9.998 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.452 7.052 12.367 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.517 9.980 12.167 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.493 8.126 13.579 1.00 0.00 H new ATOM 511 N ALA A 32 4.890 7.737 6.673 1.00 0.00 N ATOM 512 CA ALA A 32 3.941 7.026 5.828 1.00 0.00 C ATOM 513 C ALA A 32 4.668 6.182 4.788 1.00 0.00 C ATOM 514 O ALA A 32 4.379 4.997 4.631 1.00 0.00 O ATOM 515 CB ALA A 32 2.995 8.007 5.151 1.00 0.00 C ATOM 0 H ALA A 32 4.919 8.745 6.522 1.00 0.00 H new ATOM 0 HA ALA A 32 3.356 6.358 6.459 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.292 7.460 4.523 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.446 8.565 5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.569 8.700 4.535 1.00 0.00 H new ATOM 521 N ARG A 33 5.624 6.794 4.094 1.00 0.00 N ATOM 522 CA ARG A 33 6.401 6.088 3.087 1.00 0.00 C ATOM 523 C ARG A 33 7.164 4.934 3.722 1.00 0.00 C ATOM 524 O ARG A 33 7.248 3.845 3.154 1.00 0.00 O ATOM 525 CB ARG A 33 7.367 7.038 2.374 1.00 0.00 C ATOM 526 CG ARG A 33 8.413 7.652 3.289 1.00 0.00 C ATOM 527 CD ARG A 33 9.818 7.235 2.886 1.00 0.00 C ATOM 528 NE ARG A 33 10.662 8.384 2.570 1.00 0.00 N ATOM 529 CZ ARG A 33 11.826 8.630 3.162 1.00 0.00 C ATOM 530 NH1 ARG A 33 12.283 7.812 4.101 1.00 0.00 N ATOM 531 NH2 ARG A 33 12.535 9.697 2.818 1.00 0.00 N ATOM 0 H ARG A 33 5.877 7.775 4.212 1.00 0.00 H new ATOM 0 HA ARG A 33 5.711 5.687 2.345 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.871 6.495 1.574 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.794 7.838 1.904 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.332 8.739 3.259 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.223 7.347 4.318 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.272 6.664 3.695 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.766 6.575 2.020 1.00 0.00 H new ATOM 0 HE ARG A 33 10.340 9.035 1.854 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.741 6.991 4.371 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.177 8.004 4.553 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.187 10.330 2.098 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.428 9.884 3.273 1.00 0.00 H new ATOM 545 N TYR A 34 7.701 5.174 4.914 1.00 0.00 N ATOM 546 CA TYR A 34 8.435 4.143 5.633 1.00 0.00 C ATOM 547 C TYR A 34 7.513 2.970 5.926 1.00 0.00 C ATOM 548 O TYR A 34 7.926 1.812 5.881 1.00 0.00 O ATOM 549 CB TYR A 34 9.013 4.701 6.936 1.00 0.00 C ATOM 550 CG TYR A 34 10.498 4.468 7.088 1.00 0.00 C ATOM 551 CD1 TYR A 34 10.988 3.244 7.526 1.00 0.00 C ATOM 552 CD2 TYR A 34 11.412 5.472 6.792 1.00 0.00 C ATOM 553 CE1 TYR A 34 12.347 3.027 7.666 1.00 0.00 C ATOM 554 CE2 TYR A 34 12.771 5.264 6.928 1.00 0.00 C ATOM 555 CZ TYR A 34 13.233 4.040 7.366 1.00 0.00 C ATOM 556 OH TYR A 34 14.586 3.829 7.503 1.00 0.00 O ATOM 0 H TYR A 34 7.641 6.069 5.399 1.00 0.00 H new ATOM 0 HA TYR A 34 9.263 3.802 5.012 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.815 5.772 6.982 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.494 4.244 7.779 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.296 2.449 7.761 1.00 0.00 H new ATOM 0 HD2 TYR A 34 11.054 6.432 6.450 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.712 2.070 8.008 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.468 6.055 6.693 1.00 0.00 H new ATOM 0 HH TYR A 34 15.071 4.642 7.250 1.00 0.00 H new ATOM 566 N ALA A 35 6.250 3.283 6.199 1.00 0.00 N ATOM 567 CA ALA A 35 5.254 2.258 6.469 1.00 0.00 C ATOM 568 C ALA A 35 5.019 1.431 5.214 1.00 0.00 C ATOM 569 O ALA A 35 4.844 0.214 5.278 1.00 0.00 O ATOM 570 CB ALA A 35 3.955 2.889 6.947 1.00 0.00 C ATOM 0 H ALA A 35 5.895 4.238 6.239 1.00 0.00 H new ATOM 0 HA ALA A 35 5.622 1.604 7.260 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.222 2.107 7.144 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.139 3.453 7.862 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.572 3.560 6.178 1.00 0.00 H new ATOM 576 N CYS A 36 5.037 2.109 4.068 1.00 0.00 N ATOM 577 CA CYS A 36 4.849 1.455 2.787 1.00 0.00 C ATOM 578 C CYS A 36 5.905 0.382 2.592 1.00 0.00 C ATOM 579 O CYS A 36 5.599 -0.757 2.242 1.00 0.00 O ATOM 580 CB CYS A 36 4.941 2.475 1.656 1.00 0.00 C ATOM 581 SG CYS A 36 4.032 4.020 1.969 1.00 0.00 S ATOM 0 H CYS A 36 5.181 3.117 4.007 1.00 0.00 H new ATOM 0 HA CYS A 36 3.861 0.995 2.772 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.990 2.713 1.481 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.560 2.021 0.741 1.00 0.00 H new ATOM 586 N ASP A 37 7.154 0.764 2.827 1.00 0.00 N ATOM 587 CA ASP A 37 8.274 -0.153 2.689 1.00 0.00 C ATOM 588 C ASP A 37 8.066 -1.383 3.566 1.00 0.00 C ATOM 589 O ASP A 37 8.451 -2.494 3.199 1.00 0.00 O ATOM 590 CB ASP A 37 9.583 0.543 3.064 1.00 0.00 C ATOM 591 CG ASP A 37 10.795 -0.138 2.458 1.00 0.00 C ATOM 592 OD1 ASP A 37 11.174 -1.222 2.951 1.00 0.00 O ATOM 593 OD2 ASP A 37 11.364 0.411 1.492 1.00 0.00 O ATOM 0 H ASP A 37 7.416 1.707 3.115 1.00 0.00 H new ATOM 0 HA ASP A 37 8.332 -0.471 1.648 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.548 1.580 2.731 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.684 0.560 4.149 1.00 0.00 H new ATOM 598 N ASP A 38 7.445 -1.175 4.724 1.00 0.00 N ATOM 599 CA ASP A 38 7.174 -2.264 5.654 1.00 0.00 C ATOM 600 C ASP A 38 6.103 -3.197 5.097 1.00 0.00 C ATOM 601 O ASP A 38 6.039 -4.373 5.456 1.00 0.00 O ATOM 602 CB ASP A 38 6.729 -1.708 7.009 1.00 0.00 C ATOM 603 CG ASP A 38 7.887 -1.534 7.972 1.00 0.00 C ATOM 604 OD1 ASP A 38 8.558 -2.541 8.280 1.00 0.00 O ATOM 605 OD2 ASP A 38 8.121 -0.393 8.419 1.00 0.00 O ATOM 0 H ASP A 38 7.120 -0.261 5.040 1.00 0.00 H new ATOM 0 HA ASP A 38 8.094 -2.833 5.789 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.237 -0.747 6.860 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.992 -2.379 7.449 1.00 0.00 H new ATOM 610 N MET A 39 5.267 -2.662 4.211 1.00 0.00 N ATOM 611 CA MET A 39 4.201 -3.441 3.591 1.00 0.00 C ATOM 612 C MET A 39 4.627 -3.907 2.204 1.00 0.00 C ATOM 613 O MET A 39 3.917 -4.666 1.543 1.00 0.00 O ATOM 614 CB MET A 39 2.920 -2.610 3.496 1.00 0.00 C ATOM 615 CG MET A 39 2.455 -2.052 4.831 1.00 0.00 C ATOM 616 SD MET A 39 1.729 -0.409 4.683 1.00 0.00 S ATOM 617 CE MET A 39 1.165 -0.134 6.360 1.00 0.00 C ATOM 0 H MET A 39 5.308 -1.689 3.906 1.00 0.00 H new ATOM 0 HA MET A 39 4.005 -4.316 4.211 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.083 -1.784 2.804 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.127 -3.227 3.074 1.00 0.00 H new ATOM 0 HG2 MET A 39 1.722 -2.730 5.268 1.00 0.00 H new ATOM 0 HG3 MET A 39 3.301 -2.011 5.517 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.691 0.845 6.429 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.445 -0.905 6.633 1.00 0.00 H new ATOM 0 HE3 MET A 39 2.015 -0.174 7.041 1.00 0.00 H new ATOM 627 N GLU A 40 5.796 -3.436 1.780 1.00 0.00 N ATOM 628 CA GLU A 40 6.357 -3.781 0.477 1.00 0.00 C ATOM 629 C GLU A 40 5.546 -3.160 -0.653 1.00 0.00 C ATOM 630 O GLU A 40 5.340 -3.779 -1.697 1.00 0.00 O ATOM 631 CB GLU A 40 6.421 -5.299 0.302 1.00 0.00 C ATOM 632 CG GLU A 40 7.656 -5.933 0.919 1.00 0.00 C ATOM 633 CD GLU A 40 8.906 -5.700 0.091 1.00 0.00 C ATOM 634 OE1 GLU A 40 8.959 -6.193 -1.054 1.00 0.00 O ATOM 635 OE2 GLU A 40 9.830 -5.023 0.590 1.00 0.00 O ATOM 0 H GLU A 40 6.381 -2.805 2.329 1.00 0.00 H new ATOM 0 HA GLU A 40 7.369 -3.378 0.435 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.533 -5.745 0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.395 -5.535 -0.762 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.807 -5.528 1.920 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.493 -7.005 1.030 1.00 0.00 H new ATOM 642 N GLY A 41 5.090 -1.932 -0.437 1.00 0.00 N ATOM 643 CA GLY A 41 4.306 -1.245 -1.444 1.00 0.00 C ATOM 644 C GLY A 41 4.895 0.090 -1.849 1.00 0.00 C ATOM 645 O GLY A 41 6.050 0.167 -2.270 1.00 0.00 O ATOM 0 H GLY A 41 5.250 -1.400 0.418 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.222 -1.880 -2.326 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.296 -1.089 -1.065 1.00 0.00 H new ATOM 649 N GLN A 42 4.087 1.136 -1.747 1.00 0.00 N ATOM 650 CA GLN A 42 4.505 2.480 -2.130 1.00 0.00 C ATOM 651 C GLN A 42 3.573 3.489 -1.502 1.00 0.00 C ATOM 652 O GLN A 42 2.459 3.141 -1.127 1.00 0.00 O ATOM 653 CB GLN A 42 4.464 2.635 -3.651 1.00 0.00 C ATOM 654 CG GLN A 42 4.737 4.053 -4.131 1.00 0.00 C ATOM 655 CD GLN A 42 4.484 4.224 -5.615 1.00 0.00 C ATOM 656 OE1 GLN A 42 5.100 3.554 -6.443 1.00 0.00 O ATOM 657 NE2 GLN A 42 3.571 5.125 -5.959 1.00 0.00 N ATOM 0 H GLN A 42 3.130 1.080 -1.399 1.00 0.00 H new ATOM 0 HA GLN A 42 5.525 2.647 -1.783 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.198 1.963 -4.095 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.485 2.321 -4.013 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.107 4.748 -3.576 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.772 4.315 -3.910 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.084 5.658 -5.239 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.357 5.284 -6.944 1.00 0.00 H new ATOM 666 N LEU A 43 3.984 4.741 -1.398 1.00 0.00 N ATOM 667 CA LEU A 43 3.084 5.708 -0.828 1.00 0.00 C ATOM 668 C LEU A 43 2.045 6.016 -1.895 1.00 0.00 C ATOM 669 O LEU A 43 2.353 6.582 -2.944 1.00 0.00 O ATOM 670 CB LEU A 43 3.855 6.971 -0.418 1.00 0.00 C ATOM 671 CG LEU A 43 3.282 7.796 0.747 1.00 0.00 C ATOM 672 CD1 LEU A 43 2.538 6.930 1.742 1.00 0.00 C ATOM 673 CD2 LEU A 43 4.397 8.553 1.450 1.00 0.00 C ATOM 0 H LEU A 43 4.896 5.095 -1.689 1.00 0.00 H new ATOM 0 HA LEU A 43 2.602 5.326 0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.871 6.677 -0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.926 7.621 -1.290 1.00 0.00 H new ATOM 0 HG LEU A 43 2.568 8.504 0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.150 7.553 2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.710 6.429 1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.217 6.184 2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.980 9.134 2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.128 7.845 1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.883 9.224 0.742 1.00 0.00 H new ATOM 685 N VAL A 44 0.823 5.587 -1.601 1.00 0.00 N ATOM 686 CA VAL A 44 -0.336 5.726 -2.483 1.00 0.00 C ATOM 687 C VAL A 44 -0.052 6.491 -3.765 1.00 0.00 C ATOM 688 O VAL A 44 0.046 5.901 -4.842 1.00 0.00 O ATOM 689 CB VAL A 44 -1.502 6.394 -1.751 1.00 0.00 C ATOM 690 CG1 VAL A 44 -2.678 5.437 -1.661 1.00 0.00 C ATOM 691 CG2 VAL A 44 -1.062 6.847 -0.370 1.00 0.00 C ATOM 0 H VAL A 44 0.602 5.121 -0.721 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.598 4.707 -2.769 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.819 7.273 -2.312 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.503 5.922 -1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.998 5.159 -2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.378 4.543 -1.115 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.900 7.321 0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.726 5.985 0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.244 7.561 -0.465 1.00 0.00 H new ATOM 701 N SER A 45 0.044 7.803 -3.644 1.00 0.00 N ATOM 702 CA SER A 45 0.282 8.667 -4.796 1.00 0.00 C ATOM 703 C SER A 45 -0.948 8.668 -5.697 1.00 0.00 C ATOM 704 O SER A 45 -0.847 8.504 -6.914 1.00 0.00 O ATOM 705 CB SER A 45 1.509 8.200 -5.582 1.00 0.00 C ATOM 706 OG SER A 45 2.600 9.082 -5.401 1.00 0.00 O ATOM 0 H SER A 45 -0.039 8.299 -2.757 1.00 0.00 H new ATOM 0 HA SER A 45 0.472 9.680 -4.440 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.791 7.198 -5.259 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.262 8.136 -6.642 1.00 0.00 H new ATOM 0 HG SER A 45 2.637 9.714 -6.149 1.00 0.00 H new ATOM 712 N ILE A 46 -2.112 8.835 -5.075 1.00 0.00 N ATOM 713 CA ILE A 46 -3.385 8.840 -5.793 1.00 0.00 C ATOM 714 C ILE A 46 -3.359 9.794 -6.982 1.00 0.00 C ATOM 715 O ILE A 46 -2.741 10.857 -6.927 1.00 0.00 O ATOM 716 CB ILE A 46 -4.567 9.222 -4.873 1.00 0.00 C ATOM 717 CG1 ILE A 46 -4.075 9.595 -3.470 1.00 0.00 C ATOM 718 CG2 ILE A 46 -5.563 8.075 -4.799 1.00 0.00 C ATOM 719 CD1 ILE A 46 -5.188 9.965 -2.516 1.00 0.00 C ATOM 0 H ILE A 46 -2.201 8.970 -4.068 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.530 7.821 -6.152 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.063 10.095 -5.298 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.516 8.756 -3.055 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.382 10.432 -3.548 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.392 8.354 -4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.943 7.858 -5.797 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.069 7.190 -4.398 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.765 10.217 -1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.733 10.824 -2.908 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.870 9.121 -2.408 1.00 0.00 H new ATOM 731 N HIS A 47 -4.035 9.399 -8.056 1.00 0.00 N ATOM 732 CA HIS A 47 -4.096 10.210 -9.266 1.00 0.00 C ATOM 733 C HIS A 47 -5.500 10.205 -9.862 1.00 0.00 C ATOM 734 O HIS A 47 -5.742 10.818 -10.902 1.00 0.00 O ATOM 735 CB HIS A 47 -3.096 9.693 -10.301 1.00 0.00 C ATOM 736 CG HIS A 47 -2.998 8.200 -10.348 1.00 0.00 C ATOM 737 ND1 HIS A 47 -2.322 7.458 -9.401 1.00 0.00 N ATOM 738 CD2 HIS A 47 -3.496 7.308 -11.236 1.00 0.00 C ATOM 739 CE1 HIS A 47 -2.408 6.176 -9.706 1.00 0.00 C ATOM 740 NE2 HIS A 47 -3.115 6.057 -10.813 1.00 0.00 N ATOM 0 H HIS A 47 -4.549 8.520 -8.113 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.840 11.234 -8.995 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.383 10.061 -11.286 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.112 10.106 -10.081 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -1.832 7.840 -8.592 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.083 7.537 -12.113 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -1.973 5.363 -9.144 1.00 0.00 H new ATOM 749 N SER A 48 -6.424 9.516 -9.198 1.00 0.00 N ATOM 750 CA SER A 48 -7.799 9.441 -9.664 1.00 0.00 C ATOM 751 C SER A 48 -8.744 10.022 -8.625 1.00 0.00 C ATOM 752 O SER A 48 -8.774 9.564 -7.483 1.00 0.00 O ATOM 753 CB SER A 48 -8.181 7.990 -9.965 1.00 0.00 C ATOM 754 OG SER A 48 -9.570 7.869 -10.214 1.00 0.00 O ATOM 0 H SER A 48 -6.242 9.003 -8.336 1.00 0.00 H new ATOM 0 HA SER A 48 -7.884 10.025 -10.581 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.621 7.635 -10.830 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.903 7.355 -9.124 1.00 0.00 H new ATOM 0 HG SER A 48 -9.788 6.933 -10.405 1.00 0.00 H new ATOM 760 N PRO A 49 -9.534 11.043 -9.004 1.00 0.00 N ATOM 761 CA PRO A 49 -10.484 11.674 -8.090 1.00 0.00 C ATOM 762 C PRO A 49 -11.291 10.638 -7.322 1.00 0.00 C ATOM 763 O PRO A 49 -11.714 10.874 -6.191 1.00 0.00 O ATOM 764 CB PRO A 49 -11.384 12.481 -9.023 1.00 0.00 C ATOM 765 CG PRO A 49 -10.512 12.816 -10.184 1.00 0.00 C ATOM 766 CD PRO A 49 -9.570 11.653 -10.348 1.00 0.00 C ATOM 0 HA PRO A 49 -9.995 12.282 -7.329 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.254 11.903 -9.334 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.757 13.381 -8.534 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -11.105 12.967 -11.086 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.963 13.740 -10.005 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.929 10.949 -11.098 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.580 11.981 -10.666 1.00 0.00 H new ATOM 774 N GLU A 50 -11.486 9.479 -7.946 1.00 0.00 N ATOM 775 CA GLU A 50 -12.227 8.392 -7.326 1.00 0.00 C ATOM 776 C GLU A 50 -11.412 7.735 -6.227 1.00 0.00 C ATOM 777 O GLU A 50 -11.918 7.480 -5.139 1.00 0.00 O ATOM 778 CB GLU A 50 -12.615 7.343 -8.364 1.00 0.00 C ATOM 779 CG GLU A 50 -13.280 6.119 -7.761 1.00 0.00 C ATOM 780 CD GLU A 50 -13.222 4.912 -8.677 1.00 0.00 C ATOM 781 OE1 GLU A 50 -12.141 4.296 -8.780 1.00 0.00 O ATOM 782 OE2 GLU A 50 -14.259 4.584 -9.292 1.00 0.00 O ATOM 0 H GLU A 50 -11.139 9.271 -8.882 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.131 8.817 -6.890 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.290 7.794 -9.091 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.723 7.032 -8.908 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.796 5.876 -6.815 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.321 6.350 -7.536 1.00 0.00 H new ATOM 789 N GLU A 51 -10.151 7.447 -6.526 1.00 0.00 N ATOM 790 CA GLU A 51 -9.275 6.805 -5.567 1.00 0.00 C ATOM 791 C GLU A 51 -9.069 7.698 -4.349 1.00 0.00 C ATOM 792 O GLU A 51 -9.177 7.244 -3.211 1.00 0.00 O ATOM 793 CB GLU A 51 -7.934 6.462 -6.214 1.00 0.00 C ATOM 794 CG GLU A 51 -8.007 5.286 -7.174 1.00 0.00 C ATOM 795 CD GLU A 51 -6.813 5.220 -8.107 1.00 0.00 C ATOM 796 OE1 GLU A 51 -5.670 5.339 -7.618 1.00 0.00 O ATOM 797 OE2 GLU A 51 -7.021 5.049 -9.326 1.00 0.00 O ATOM 0 H GLU A 51 -9.717 7.650 -7.426 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.745 5.879 -5.237 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.564 7.336 -6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.209 6.238 -5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.069 4.359 -6.603 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.921 5.359 -7.764 1.00 0.00 H new ATOM 804 N GLN A 52 -8.787 8.974 -4.596 1.00 0.00 N ATOM 805 CA GLN A 52 -8.584 9.929 -3.518 1.00 0.00 C ATOM 806 C GLN A 52 -9.854 10.043 -2.681 1.00 0.00 C ATOM 807 O GLN A 52 -9.800 10.073 -1.453 1.00 0.00 O ATOM 808 CB GLN A 52 -8.168 11.297 -4.079 1.00 0.00 C ATOM 809 CG GLN A 52 -9.324 12.270 -4.277 1.00 0.00 C ATOM 810 CD GLN A 52 -9.496 13.234 -3.116 1.00 0.00 C ATOM 811 OE1 GLN A 52 -10.146 14.271 -3.253 1.00 0.00 O ATOM 812 NE2 GLN A 52 -8.918 12.900 -1.965 1.00 0.00 N ATOM 0 H GLN A 52 -8.695 9.367 -5.533 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.777 9.574 -2.877 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.440 11.748 -3.404 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.666 11.148 -5.035 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.160 12.839 -5.192 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.247 11.706 -4.413 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.388 12.031 -1.894 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.005 13.513 -1.154 1.00 0.00 H new ATOM 821 N ASP A 53 -10.994 10.078 -3.362 1.00 0.00 N ATOM 822 CA ASP A 53 -12.289 10.156 -2.706 1.00 0.00 C ATOM 823 C ASP A 53 -12.564 8.860 -1.961 1.00 0.00 C ATOM 824 O ASP A 53 -13.200 8.851 -0.910 1.00 0.00 O ATOM 825 CB ASP A 53 -13.393 10.417 -3.732 1.00 0.00 C ATOM 826 CG ASP A 53 -14.695 10.846 -3.082 1.00 0.00 C ATOM 827 OD1 ASP A 53 -14.742 11.965 -2.530 1.00 0.00 O ATOM 828 OD2 ASP A 53 -15.668 10.064 -3.129 1.00 0.00 O ATOM 0 H ASP A 53 -11.044 10.053 -4.380 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.276 10.983 -1.996 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.065 11.190 -4.427 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.563 9.513 -4.318 1.00 0.00 H new ATOM 833 N PHE A 54 -12.090 7.762 -2.540 1.00 0.00 N ATOM 834 CA PHE A 54 -12.278 6.441 -1.971 1.00 0.00 C ATOM 835 C PHE A 54 -11.676 6.358 -0.576 1.00 0.00 C ATOM 836 O PHE A 54 -12.340 5.954 0.378 1.00 0.00 O ATOM 837 CB PHE A 54 -11.600 5.417 -2.878 1.00 0.00 C ATOM 838 CG PHE A 54 -12.530 4.389 -3.441 1.00 0.00 C ATOM 839 CD1 PHE A 54 -12.784 3.218 -2.752 1.00 0.00 C ATOM 840 CD2 PHE A 54 -13.141 4.594 -4.665 1.00 0.00 C ATOM 841 CE1 PHE A 54 -13.635 2.264 -3.274 1.00 0.00 C ATOM 842 CE2 PHE A 54 -13.994 3.647 -5.194 1.00 0.00 C ATOM 843 CZ PHE A 54 -14.243 2.478 -4.498 1.00 0.00 C ATOM 0 H PHE A 54 -11.566 7.767 -3.415 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.346 6.237 -1.894 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.114 5.942 -3.701 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.815 4.912 -2.315 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.312 3.047 -1.796 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.948 5.505 -5.212 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.826 1.352 -2.728 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.466 3.818 -6.150 1.00 0.00 H new ATOM 0 HZ PHE A 54 -14.910 1.735 -4.909 1.00 0.00 H new ATOM 853 N LEU A 55 -10.420 6.765 -0.463 1.00 0.00 N ATOM 854 CA LEU A 55 -9.729 6.764 0.817 1.00 0.00 C ATOM 855 C LEU A 55 -10.243 7.898 1.689 1.00 0.00 C ATOM 856 O LEU A 55 -10.349 7.765 2.906 1.00 0.00 O ATOM 857 CB LEU A 55 -8.227 6.906 0.618 1.00 0.00 C ATOM 858 CG LEU A 55 -7.821 7.804 -0.542 1.00 0.00 C ATOM 859 CD1 LEU A 55 -7.292 9.129 -0.026 1.00 0.00 C ATOM 860 CD2 LEU A 55 -6.787 7.106 -1.406 1.00 0.00 C ATOM 0 H LEU A 55 -9.858 7.101 -1.245 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.926 5.813 1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.788 7.299 1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.800 5.916 0.460 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.699 8.007 -1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.006 9.759 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.067 9.629 0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.422 8.952 0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.504 7.758 -2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.906 6.877 -0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.207 6.181 -1.801 1.00 0.00 H new ATOM 872 N THR A 56 -10.555 9.016 1.042 1.00 0.00 N ATOM 873 CA THR A 56 -11.059 10.189 1.731 1.00 0.00 C ATOM 874 C THR A 56 -12.364 9.852 2.441 1.00 0.00 C ATOM 875 O THR A 56 -12.609 10.294 3.564 1.00 0.00 O ATOM 876 CB THR A 56 -11.255 11.335 0.726 1.00 0.00 C ATOM 877 OG1 THR A 56 -10.218 12.292 0.844 1.00 0.00 O ATOM 878 CG2 THR A 56 -12.568 12.071 0.866 1.00 0.00 C ATOM 0 H THR A 56 -10.465 9.130 0.032 1.00 0.00 H new ATOM 0 HA THR A 56 -10.338 10.511 2.482 1.00 0.00 H new ATOM 0 HB THR A 56 -11.245 10.846 -0.248 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.442 13.084 0.313 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.623 12.863 0.119 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.393 11.374 0.718 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.636 12.508 1.862 1.00 0.00 H new ATOM 886 N LYS A 57 -13.184 9.044 1.781 1.00 0.00 N ATOM 887 CA LYS A 57 -14.451 8.616 2.343 1.00 0.00 C ATOM 888 C LYS A 57 -14.202 7.552 3.402 1.00 0.00 C ATOM 889 O LYS A 57 -14.903 7.485 4.413 1.00 0.00 O ATOM 890 CB LYS A 57 -15.368 8.067 1.248 1.00 0.00 C ATOM 891 CG LYS A 57 -16.764 8.668 1.265 1.00 0.00 C ATOM 892 CD LYS A 57 -16.872 9.846 0.311 1.00 0.00 C ATOM 893 CE LYS A 57 -16.839 11.171 1.056 1.00 0.00 C ATOM 894 NZ LYS A 57 -17.113 12.323 0.153 1.00 0.00 N ATOM 0 H LYS A 57 -12.989 8.672 0.851 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.943 9.474 2.801 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.912 8.255 0.276 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.446 6.985 1.359 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.493 7.906 0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -17.010 8.993 2.276 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.053 9.811 -0.407 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -17.798 9.771 -0.259 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.577 11.155 1.858 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.863 11.300 1.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.081 13.207 0.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.394 12.354 -0.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.055 12.213 -0.274 1.00 0.00 H new ATOM 907 N HIS A 58 -13.187 6.727 3.161 1.00 0.00 N ATOM 908 CA HIS A 58 -12.825 5.668 4.090 1.00 0.00 C ATOM 909 C HIS A 58 -12.182 6.253 5.343 1.00 0.00 C ATOM 910 O HIS A 58 -12.220 5.646 6.413 1.00 0.00 O ATOM 911 CB HIS A 58 -11.864 4.682 3.424 1.00 0.00 C ATOM 912 CG HIS A 58 -12.119 3.254 3.796 1.00 0.00 C ATOM 913 ND1 HIS A 58 -13.378 2.692 3.803 1.00 0.00 N ATOM 914 CD2 HIS A 58 -11.268 2.272 4.173 1.00 0.00 C ATOM 915 CE1 HIS A 58 -13.290 1.426 4.170 1.00 0.00 C ATOM 916 NE2 HIS A 58 -12.021 1.146 4.399 1.00 0.00 N ATOM 0 H HIS A 58 -12.601 6.774 2.327 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.734 5.138 4.376 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -11.942 4.786 2.342 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.842 4.943 3.697 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -14.242 3.178 3.562 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -10.196 2.358 4.277 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -14.116 0.737 4.266 1.00 0.00 H new ATOM 978 N GLY A 63 -7.300 11.776 8.711 1.00 0.00 N ATOM 979 CA GLY A 63 -6.950 11.938 7.311 1.00 0.00 C ATOM 980 C GLY A 63 -6.054 10.829 6.800 1.00 0.00 C ATOM 981 O GLY A 63 -5.866 9.814 7.470 1.00 0.00 O ATOM 0 HA2 GLY A 63 -7.861 11.967 6.714 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.449 12.896 7.175 1.00 0.00 H new ATOM 985 N SER A 64 -5.503 11.020 5.605 1.00 0.00 N ATOM 986 CA SER A 64 -4.628 10.023 5.001 1.00 0.00 C ATOM 987 C SER A 64 -3.376 10.668 4.406 1.00 0.00 C ATOM 988 O SER A 64 -3.344 11.871 4.150 1.00 0.00 O ATOM 989 CB SER A 64 -5.385 9.253 3.917 1.00 0.00 C ATOM 990 OG SER A 64 -4.922 9.601 2.624 1.00 0.00 O ATOM 0 H SER A 64 -5.647 11.855 5.037 1.00 0.00 H new ATOM 0 HA SER A 64 -4.312 9.333 5.783 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.261 8.182 4.074 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.451 9.465 3.994 1.00 0.00 H new ATOM 0 HG SER A 64 -5.539 10.245 2.218 1.00 0.00 H new ATOM 996 N TRP A 65 -2.354 9.848 4.178 1.00 0.00 N ATOM 997 CA TRP A 65 -1.096 10.315 3.602 1.00 0.00 C ATOM 998 C TRP A 65 -0.922 9.744 2.201 1.00 0.00 C ATOM 999 O TRP A 65 -1.119 8.549 1.984 1.00 0.00 O ATOM 1000 CB TRP A 65 0.079 9.891 4.487 1.00 0.00 C ATOM 1001 CG TRP A 65 0.448 10.910 5.523 1.00 0.00 C ATOM 1002 CD1 TRP A 65 1.059 12.113 5.311 1.00 0.00 C ATOM 1003 CD2 TRP A 65 0.235 10.813 6.936 1.00 0.00 C ATOM 1004 NE1 TRP A 65 1.237 12.769 6.505 1.00 0.00 N ATOM 1005 CE2 TRP A 65 0.740 11.991 7.516 1.00 0.00 C ATOM 1006 CE3 TRP A 65 -0.334 9.844 7.766 1.00 0.00 C ATOM 1007 CZ2 TRP A 65 0.691 12.226 8.888 1.00 0.00 C ATOM 1008 CZ3 TRP A 65 -0.382 10.078 9.127 1.00 0.00 C ATOM 1009 CH2 TRP A 65 0.128 11.260 9.676 1.00 0.00 C ATOM 0 H TRP A 65 -2.373 8.849 4.385 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.119 11.403 3.543 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -0.171 8.954 4.984 1.00 0.00 H new ATOM 0 HB3 TRP A 65 0.946 9.696 3.856 1.00 0.00 H new ATOM 0 HD1 TRP A 65 1.359 12.493 4.346 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.669 13.686 6.620 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -0.729 8.928 7.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 1.083 13.138 9.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -0.820 9.336 9.778 1.00 0.00 H new ATOM 0 HH2 TRP A 65 0.076 11.413 10.744 1.00 0.00 H new ATOM 1020 N ILE A 66 -0.563 10.598 1.251 1.00 0.00 N ATOM 1021 CA ILE A 66 -0.382 10.160 -0.129 1.00 0.00 C ATOM 1022 C ILE A 66 1.074 10.251 -0.564 1.00 0.00 C ATOM 1023 O ILE A 66 1.898 10.862 0.111 1.00 0.00 O ATOM 1024 CB ILE A 66 -1.258 10.966 -1.103 1.00 0.00 C ATOM 1025 CG1 ILE A 66 -0.585 12.298 -1.460 1.00 0.00 C ATOM 1026 CG2 ILE A 66 -2.639 11.187 -0.497 1.00 0.00 C ATOM 1027 CD1 ILE A 66 -1.554 13.417 -1.754 1.00 0.00 C ATOM 0 H ILE A 66 -0.392 11.591 1.408 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.693 9.116 -0.161 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.376 10.400 -2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.062 12.599 -0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.055 12.148 -2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.254 11.758 -1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.110 10.223 -0.304 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.542 11.738 0.439 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.000 14.324 -1.997 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.185 13.140 -2.599 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.178 13.597 -0.879 1.00 0.00 H new ATOM 1039 N GLY A 67 1.378 9.621 -1.694 1.00 0.00 N ATOM 1040 CA GLY A 67 2.732 9.620 -2.213 1.00 0.00 C ATOM 1041 C GLY A 67 3.126 10.929 -2.871 1.00 0.00 C ATOM 1042 O GLY A 67 3.590 10.937 -4.010 1.00 0.00 O ATOM 0 H GLY A 67 0.705 9.108 -2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.425 9.408 -1.399 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.835 8.812 -2.938 1.00 0.00 H new ATOM 1046 N LEU A 68 2.953 12.036 -2.158 1.00 0.00 N ATOM 1047 CA LEU A 68 3.308 13.340 -2.694 1.00 0.00 C ATOM 1048 C LEU A 68 4.264 14.092 -1.772 1.00 0.00 C ATOM 1049 O LEU A 68 3.990 14.279 -0.585 1.00 0.00 O ATOM 1050 CB LEU A 68 2.050 14.178 -2.922 1.00 0.00 C ATOM 1051 CG LEU A 68 1.913 14.752 -4.326 1.00 0.00 C ATOM 1052 CD1 LEU A 68 0.771 15.748 -4.379 1.00 0.00 C ATOM 1053 CD2 LEU A 68 3.212 15.402 -4.747 1.00 0.00 C ATOM 0 H LEU A 68 2.571 12.055 -1.212 1.00 0.00 H new ATOM 0 HA LEU A 68 3.816 13.174 -3.644 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.176 13.562 -2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.043 15.000 -2.206 1.00 0.00 H new ATOM 0 HG LEU A 68 1.690 13.942 -5.020 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.685 16.150 -5.389 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.159 15.250 -4.107 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.965 16.562 -3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.106 15.810 -5.752 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.458 16.206 -4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.010 14.659 -4.739 1.00 0.00 H new ATOM 1065 N ARG A 69 5.377 14.537 -2.344 1.00 0.00 N ATOM 1066 CA ARG A 69 6.386 15.296 -1.614 1.00 0.00 C ATOM 1067 C ARG A 69 6.900 16.448 -2.477 1.00 0.00 C ATOM 1068 O ARG A 69 7.401 16.226 -3.577 1.00 0.00 O ATOM 1069 CB ARG A 69 7.542 14.380 -1.198 1.00 0.00 C ATOM 1070 CG ARG A 69 8.803 15.128 -0.795 1.00 0.00 C ATOM 1071 CD ARG A 69 9.918 14.924 -1.807 1.00 0.00 C ATOM 1072 NE ARG A 69 11.232 15.217 -1.240 1.00 0.00 N ATOM 1073 CZ ARG A 69 12.267 14.385 -1.309 1.00 0.00 C ATOM 1074 NH1 ARG A 69 12.141 13.213 -1.917 1.00 0.00 N ATOM 1075 NH2 ARG A 69 13.429 14.725 -0.769 1.00 0.00 N ATOM 0 H ARG A 69 5.605 14.382 -3.326 1.00 0.00 H new ATOM 0 HA ARG A 69 5.933 15.710 -0.713 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.218 13.757 -0.364 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.777 13.709 -2.024 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.583 16.192 -0.704 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.133 14.785 0.186 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.899 13.895 -2.165 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.745 15.565 -2.671 1.00 0.00 H new ATOM 0 HE ARG A 69 11.363 16.110 -0.765 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.248 12.948 -2.333 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.937 12.577 -1.968 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.530 15.625 -0.300 1.00 0.00 H new ATOM 0 HH22 ARG A 69 14.222 14.086 -0.822 1.00 0.00 H new ATOM 1089 N ASN A 70 6.774 17.674 -1.982 1.00 0.00 N ATOM 1090 CA ASN A 70 7.227 18.842 -2.733 1.00 0.00 C ATOM 1091 C ASN A 70 8.607 19.295 -2.272 1.00 0.00 C ATOM 1092 O ASN A 70 8.967 19.138 -1.105 1.00 0.00 O ATOM 1093 CB ASN A 70 6.220 19.989 -2.598 1.00 0.00 C ATOM 1094 CG ASN A 70 6.882 21.354 -2.622 1.00 0.00 C ATOM 1095 OD1 ASN A 70 7.265 21.890 -1.582 1.00 0.00 O ATOM 1096 ND2 ASN A 70 7.017 21.924 -3.813 1.00 0.00 N ATOM 0 H ASN A 70 6.366 17.886 -1.072 1.00 0.00 H new ATOM 0 HA ASN A 70 7.299 18.556 -3.782 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.494 19.927 -3.409 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.667 19.874 -1.666 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.453 22.843 -3.892 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.685 21.443 -4.649 1.00 0.00 H new ATOM 1196 N PHE A 77 5.521 19.778 -6.760 1.00 0.00 N ATOM 1197 CA PHE A 77 5.226 18.591 -5.975 1.00 0.00 C ATOM 1198 C PHE A 77 5.585 17.332 -6.755 1.00 0.00 C ATOM 1199 O PHE A 77 5.064 17.089 -7.842 1.00 0.00 O ATOM 1200 CB PHE A 77 3.745 18.542 -5.566 1.00 0.00 C ATOM 1201 CG PHE A 77 3.160 19.848 -5.085 1.00 0.00 C ATOM 1202 CD1 PHE A 77 3.936 20.991 -4.953 1.00 0.00 C ATOM 1203 CD2 PHE A 77 1.812 19.924 -4.770 1.00 0.00 C ATOM 1204 CE1 PHE A 77 3.383 22.179 -4.519 1.00 0.00 C ATOM 1205 CE2 PHE A 77 1.254 21.112 -4.337 1.00 0.00 C ATOM 1206 CZ PHE A 77 2.040 22.240 -4.211 1.00 0.00 C ATOM 0 HA PHE A 77 5.831 18.639 -5.069 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.162 18.195 -6.419 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.628 17.799 -4.777 1.00 0.00 H new ATOM 0 HD1 PHE A 77 4.988 20.950 -5.193 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.191 19.045 -4.864 1.00 0.00 H new ATOM 0 HE1 PHE A 77 4.001 23.059 -4.421 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.202 21.158 -4.097 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.604 23.168 -3.872 1.00 0.00 H new ATOM 1216 N ILE A 78 6.482 16.539 -6.187 1.00 0.00 N ATOM 1217 CA ILE A 78 6.927 15.304 -6.807 1.00 0.00 C ATOM 1218 C ILE A 78 6.490 14.108 -5.975 1.00 0.00 C ATOM 1219 O ILE A 78 6.512 14.156 -4.750 1.00 0.00 O ATOM 1220 CB ILE A 78 8.461 15.288 -6.981 1.00 0.00 C ATOM 1221 CG1 ILE A 78 8.821 15.499 -8.459 1.00 0.00 C ATOM 1222 CG2 ILE A 78 9.060 13.995 -6.429 1.00 0.00 C ATOM 1223 CD1 ILE A 78 9.531 14.328 -9.114 1.00 0.00 C ATOM 0 H ILE A 78 6.919 16.734 -5.286 1.00 0.00 H new ATOM 0 HA ILE A 78 6.469 15.242 -7.794 1.00 0.00 H new ATOM 0 HB ILE A 78 8.892 16.108 -6.407 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.907 15.709 -9.015 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.454 16.382 -8.542 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.142 14.009 -6.564 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.828 13.910 -5.367 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.639 13.142 -6.962 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.745 14.568 -10.155 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.465 14.129 -8.589 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.894 13.445 -9.069 1.00 0.00 H new ATOM 1235 N TRP A 79 6.097 13.037 -6.642 1.00 0.00 N ATOM 1236 CA TRP A 79 5.654 11.842 -5.946 1.00 0.00 C ATOM 1237 C TRP A 79 6.843 11.111 -5.333 1.00 0.00 C ATOM 1238 O TRP A 79 7.963 11.200 -5.832 1.00 0.00 O ATOM 1239 CB TRP A 79 4.910 10.909 -6.906 1.00 0.00 C ATOM 1240 CG TRP A 79 3.529 11.379 -7.260 1.00 0.00 C ATOM 1241 CD1 TRP A 79 2.934 12.551 -6.887 1.00 0.00 C ATOM 1242 CD2 TRP A 79 2.569 10.679 -8.060 1.00 0.00 C ATOM 1243 NE1 TRP A 79 1.665 12.622 -7.407 1.00 0.00 N ATOM 1244 CE2 TRP A 79 1.417 11.486 -8.131 1.00 0.00 C ATOM 1245 CE3 TRP A 79 2.572 9.449 -8.725 1.00 0.00 C ATOM 1246 CZ2 TRP A 79 0.281 11.101 -8.839 1.00 0.00 C ATOM 1247 CZ3 TRP A 79 1.444 9.069 -9.427 1.00 0.00 C ATOM 1248 CH2 TRP A 79 0.312 9.892 -9.480 1.00 0.00 C ATOM 0 H TRP A 79 6.076 12.970 -7.660 1.00 0.00 H new ATOM 0 HA TRP A 79 4.975 12.143 -5.148 1.00 0.00 H new ATOM 0 HB2 TRP A 79 5.493 10.804 -7.821 1.00 0.00 H new ATOM 0 HB3 TRP A 79 4.842 9.919 -6.456 1.00 0.00 H new ATOM 0 HD1 TRP A 79 3.394 13.311 -6.273 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.013 13.395 -7.275 1.00 0.00 H new ATOM 0 HE3 TRP A 79 3.440 8.808 -8.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -0.593 11.734 -8.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 1.435 8.121 -9.944 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -0.554 9.566 -10.038 1.00 0.00 H new ATOM 1259 N VAL A 80 6.588 10.395 -4.241 1.00 0.00 N ATOM 1260 CA VAL A 80 7.634 9.650 -3.549 1.00 0.00 C ATOM 1261 C VAL A 80 8.288 8.641 -4.488 1.00 0.00 C ATOM 1262 O VAL A 80 9.464 8.306 -4.337 1.00 0.00 O ATOM 1263 CB VAL A 80 7.057 8.908 -2.326 1.00 0.00 C ATOM 1264 CG1 VAL A 80 5.666 8.393 -2.640 1.00 0.00 C ATOM 1265 CG2 VAL A 80 7.970 7.770 -1.885 1.00 0.00 C ATOM 0 H VAL A 80 5.664 10.315 -3.816 1.00 0.00 H new ATOM 0 HA VAL A 80 8.384 10.366 -3.213 1.00 0.00 H new ATOM 0 HB VAL A 80 6.992 9.614 -1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.267 7.871 -1.771 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.016 9.231 -2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.714 7.707 -3.485 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.534 7.268 -1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.082 7.056 -2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.947 8.171 -1.617 1.00 0.00 H new ATOM 1275 N ASP A 81 7.520 8.167 -5.461 1.00 0.00 N ATOM 1276 CA ASP A 81 8.021 7.204 -6.430 1.00 0.00 C ATOM 1277 C ASP A 81 8.722 7.920 -7.577 1.00 0.00 C ATOM 1278 O ASP A 81 9.041 7.314 -8.601 1.00 0.00 O ATOM 1279 CB ASP A 81 6.877 6.344 -6.970 1.00 0.00 C ATOM 1280 CG ASP A 81 7.371 5.057 -7.601 1.00 0.00 C ATOM 1281 OD1 ASP A 81 7.955 4.226 -6.875 1.00 0.00 O ATOM 1282 OD2 ASP A 81 7.172 4.881 -8.822 1.00 0.00 O ATOM 0 H ASP A 81 6.546 8.435 -5.599 1.00 0.00 H new ATOM 0 HA ASP A 81 8.740 6.556 -5.929 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.189 6.107 -6.158 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.314 6.915 -7.708 1.00 0.00 H new ATOM 1287 N GLY A 82 8.951 9.215 -7.397 1.00 0.00 N ATOM 1288 CA GLY A 82 9.604 10.003 -8.421 1.00 0.00 C ATOM 1289 C GLY A 82 8.810 10.030 -9.708 1.00 0.00 C ATOM 1290 O GLY A 82 9.368 9.880 -10.795 1.00 0.00 O ATOM 0 H GLY A 82 8.695 9.734 -6.557 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.744 11.022 -8.060 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.596 9.595 -8.615 1.00 0.00 H new ATOM 1294 N SER A 83 7.498 10.209 -9.582 1.00 0.00 N ATOM 1295 CA SER A 83 6.620 10.240 -10.745 1.00 0.00 C ATOM 1296 C SER A 83 5.942 11.597 -10.905 1.00 0.00 C ATOM 1297 O SER A 83 5.257 11.840 -11.900 1.00 0.00 O ATOM 1298 CB SER A 83 5.562 9.140 -10.638 1.00 0.00 C ATOM 1299 OG SER A 83 4.772 9.075 -11.812 1.00 0.00 O ATOM 0 H SER A 83 7.022 10.334 -8.689 1.00 0.00 H new ATOM 0 HA SER A 83 7.237 10.067 -11.627 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.048 8.179 -10.470 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.922 9.329 -9.776 1.00 0.00 H new ATOM 0 HG SER A 83 4.636 9.979 -12.165 1.00 0.00 H new ATOM 1305 N HIS A 84 6.132 12.479 -9.925 1.00 0.00 N ATOM 1306 CA HIS A 84 5.533 13.811 -9.963 1.00 0.00 C ATOM 1307 C HIS A 84 4.007 13.724 -9.971 1.00 0.00 C ATOM 1308 O HIS A 84 3.436 12.666 -10.237 1.00 0.00 O ATOM 1309 CB HIS A 84 6.024 14.580 -11.194 1.00 0.00 C ATOM 1310 CG HIS A 84 5.632 16.025 -11.202 1.00 0.00 C ATOM 1311 ND1 HIS A 84 6.258 16.982 -10.431 1.00 0.00 N ATOM 1312 CD2 HIS A 84 4.671 16.679 -11.899 1.00 0.00 C ATOM 1313 CE1 HIS A 84 5.700 18.159 -10.652 1.00 0.00 C ATOM 1314 NE2 HIS A 84 4.735 18.002 -11.539 1.00 0.00 N ATOM 0 H HIS A 84 6.696 12.295 -9.095 1.00 0.00 H new ATOM 0 HA HIS A 84 5.840 14.347 -9.065 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.110 14.508 -11.246 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.630 14.102 -12.090 1.00 0.00 H new ATOM 0 HD2 HIS A 84 3.983 16.241 -12.606 1.00 0.00 H new ATOM 0 HE1 HIS A 84 5.985 19.091 -10.186 1.00 0.00 H new ATOM 0 HE2 HIS A 84 4.134 18.744 -11.899 1.00 0.00 H new ATOM 1323 N VAL A 85 3.353 14.842 -9.677 1.00 0.00 N ATOM 1324 CA VAL A 85 1.897 14.892 -9.648 1.00 0.00 C ATOM 1325 C VAL A 85 1.312 14.734 -11.048 1.00 0.00 C ATOM 1326 O VAL A 85 1.965 15.047 -12.043 1.00 0.00 O ATOM 1327 CB VAL A 85 1.394 16.212 -9.035 1.00 0.00 C ATOM 1328 CG1 VAL A 85 -0.118 16.198 -8.900 1.00 0.00 C ATOM 1329 CG2 VAL A 85 2.049 16.456 -7.686 1.00 0.00 C ATOM 0 H VAL A 85 3.809 15.727 -9.455 1.00 0.00 H new ATOM 0 HA VAL A 85 1.563 14.062 -9.025 1.00 0.00 H new ATOM 0 HB VAL A 85 1.669 17.028 -9.704 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.453 17.140 -8.465 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.570 16.072 -9.884 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.418 15.373 -8.254 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.682 17.393 -7.267 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.806 15.637 -7.010 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.130 16.514 -7.812 1.00 0.00 H new ATOM 1339 N ASP A 86 0.076 14.244 -11.117 1.00 0.00 N ATOM 1340 CA ASP A 86 -0.596 14.042 -12.395 1.00 0.00 C ATOM 1341 C ASP A 86 -1.893 14.845 -12.471 1.00 0.00 C ATOM 1342 O ASP A 86 -2.304 15.272 -13.549 1.00 0.00 O ATOM 1343 CB ASP A 86 -0.891 12.557 -12.609 1.00 0.00 C ATOM 1344 CG ASP A 86 -0.066 11.959 -13.731 1.00 0.00 C ATOM 1345 OD1 ASP A 86 -0.263 12.366 -14.895 1.00 0.00 O ATOM 1346 OD2 ASP A 86 0.777 11.083 -13.446 1.00 0.00 O ATOM 0 H ASP A 86 -0.479 13.980 -10.303 1.00 0.00 H new ATOM 0 HA ASP A 86 0.070 14.394 -13.183 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.692 12.013 -11.686 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.950 12.428 -12.832 1.00 0.00 H new ATOM 1351 N TYR A 87 -2.538 15.043 -11.323 1.00 0.00 N ATOM 1352 CA TYR A 87 -3.789 15.792 -11.274 1.00 0.00 C ATOM 1353 C TYR A 87 -3.839 16.716 -10.061 1.00 0.00 C ATOM 1354 O TYR A 87 -4.393 17.814 -10.132 1.00 0.00 O ATOM 1355 CB TYR A 87 -4.980 14.832 -11.247 1.00 0.00 C ATOM 1356 CG TYR A 87 -5.284 14.205 -12.589 1.00 0.00 C ATOM 1357 CD1 TYR A 87 -6.134 14.829 -13.492 1.00 0.00 C ATOM 1358 CD2 TYR A 87 -4.718 12.989 -12.952 1.00 0.00 C ATOM 1359 CE1 TYR A 87 -6.413 14.260 -14.720 1.00 0.00 C ATOM 1360 CE2 TYR A 87 -4.991 12.414 -14.179 1.00 0.00 C ATOM 1361 CZ TYR A 87 -5.840 13.052 -15.058 1.00 0.00 C ATOM 1362 OH TYR A 87 -6.115 12.481 -16.280 1.00 0.00 O ATOM 0 H TYR A 87 -2.216 14.697 -10.419 1.00 0.00 H new ATOM 0 HA TYR A 87 -3.842 16.408 -12.171 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.782 14.042 -10.523 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.862 15.370 -10.899 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.585 15.775 -13.230 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -4.054 12.485 -12.265 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -7.076 14.759 -15.411 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -4.541 11.470 -14.448 1.00 0.00 H new ATOM 0 HH TYR A 87 -5.631 11.633 -16.361 1.00 0.00 H new ATOM 1372 N SER A 88 -3.258 16.263 -8.953 1.00 0.00 N ATOM 1373 CA SER A 88 -3.229 17.040 -7.710 1.00 0.00 C ATOM 1374 C SER A 88 -4.642 17.326 -7.206 1.00 0.00 C ATOM 1375 O SER A 88 -5.590 17.380 -7.987 1.00 0.00 O ATOM 1376 CB SER A 88 -2.466 18.352 -7.907 1.00 0.00 C ATOM 1377 OG SER A 88 -2.012 18.496 -9.242 1.00 0.00 O ATOM 0 H SER A 88 -2.797 15.355 -8.888 1.00 0.00 H new ATOM 0 HA SER A 88 -2.711 16.443 -6.960 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.112 19.191 -7.649 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.615 18.384 -7.227 1.00 0.00 H new ATOM 0 HG SER A 88 -1.531 19.345 -9.334 1.00 0.00 H new ATOM 1383 N ASN A 89 -4.783 17.493 -5.891 1.00 0.00 N ATOM 1384 CA ASN A 89 -6.092 17.751 -5.302 1.00 0.00 C ATOM 1385 C ASN A 89 -6.055 18.840 -4.223 1.00 0.00 C ATOM 1386 O ASN A 89 -7.110 19.219 -3.712 1.00 0.00 O ATOM 1387 CB ASN A 89 -6.648 16.460 -4.699 1.00 0.00 C ATOM 1388 CG ASN A 89 -7.063 15.447 -5.745 1.00 0.00 C ATOM 1389 OD1 ASN A 89 -7.257 15.780 -6.914 1.00 0.00 O ATOM 1390 ND2 ASN A 89 -7.208 14.195 -5.322 1.00 0.00 N ATOM 0 H ASN A 89 -4.014 17.454 -5.222 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.737 18.110 -6.104 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -5.894 16.015 -4.050 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.507 16.699 -4.072 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -7.491 13.465 -5.976 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -7.036 13.964 -4.343 1.00 0.00 H new ATOM 1592 N CYS A 104 4.498 18.326 1.946 1.00 0.00 N ATOM 1593 CA CYS A 104 3.838 17.062 1.660 1.00 0.00 C ATOM 1594 C CYS A 104 2.331 17.244 1.658 1.00 0.00 C ATOM 1595 O CYS A 104 1.783 18.023 2.436 1.00 0.00 O ATOM 1596 CB CYS A 104 4.243 15.986 2.672 1.00 0.00 C ATOM 1597 SG CYS A 104 6.042 15.701 2.778 1.00 0.00 S ATOM 0 HA CYS A 104 4.155 16.731 0.671 1.00 0.00 H new ATOM 0 HB2 CYS A 104 3.873 16.271 3.657 1.00 0.00 H new ATOM 0 HB3 CYS A 104 3.753 15.049 2.406 1.00 0.00 H new ATOM 0 HG CYS A 104 6.276 14.424 2.850 1.00 0.00 H new ATOM 1602 N VAL A 105 1.665 16.535 0.765 1.00 0.00 N ATOM 1603 CA VAL A 105 0.225 16.633 0.649 1.00 0.00 C ATOM 1604 C VAL A 105 -0.487 15.593 1.503 1.00 0.00 C ATOM 1605 O VAL A 105 -0.160 14.406 1.473 1.00 0.00 O ATOM 1606 CB VAL A 105 -0.226 16.487 -0.812 1.00 0.00 C ATOM 1607 CG1 VAL A 105 -1.739 16.532 -0.907 1.00 0.00 C ATOM 1608 CG2 VAL A 105 0.397 17.576 -1.668 1.00 0.00 C ATOM 0 H VAL A 105 2.100 15.885 0.110 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.048 17.624 1.012 1.00 0.00 H new ATOM 0 HB VAL A 105 0.111 15.520 -1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.041 16.427 -1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.165 15.717 -0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.100 17.484 -0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.068 17.460 -2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.087 18.553 -1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.483 17.498 -1.622 1.00 0.00 H new ATOM 1618 N MET A 106 -1.472 16.061 2.255 1.00 0.00 N ATOM 1619 CA MET A 106 -2.266 15.211 3.125 1.00 0.00 C ATOM 1620 C MET A 106 -3.728 15.256 2.699 1.00 0.00 C ATOM 1621 O MET A 106 -4.119 16.089 1.892 1.00 0.00 O ATOM 1622 CB MET A 106 -2.125 15.654 4.584 1.00 0.00 C ATOM 1623 CG MET A 106 -2.941 16.892 4.929 1.00 0.00 C ATOM 1624 SD MET A 106 -4.387 16.510 5.938 1.00 0.00 S ATOM 1625 CE MET A 106 -4.833 18.144 6.522 1.00 0.00 C ATOM 0 H MET A 106 -1.743 17.044 2.278 1.00 0.00 H new ATOM 0 HA MET A 106 -1.902 14.187 3.041 1.00 0.00 H new ATOM 0 HB2 MET A 106 -2.431 14.835 5.234 1.00 0.00 H new ATOM 0 HB3 MET A 106 -1.074 15.852 4.794 1.00 0.00 H new ATOM 0 HG2 MET A 106 -2.309 17.603 5.461 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.263 17.379 4.008 1.00 0.00 H new ATOM 0 HE1 MET A 106 -4.897 18.136 7.610 1.00 0.00 H new ATOM 0 HE2 MET A 106 -4.075 18.862 6.208 1.00 0.00 H new ATOM 0 HE3 MET A 106 -5.798 18.429 6.103 1.00 0.00 H new ATOM 1725 N TRP A 113 -7.476 16.772 -0.796 1.00 0.00 N ATOM 1726 CA TRP A 113 -6.102 16.923 -0.349 1.00 0.00 C ATOM 1727 C TRP A 113 -5.839 18.318 0.165 1.00 0.00 C ATOM 1728 O TRP A 113 -6.549 19.264 -0.160 1.00 0.00 O ATOM 1729 CB TRP A 113 -5.119 16.715 -1.492 1.00 0.00 C ATOM 1730 CG TRP A 113 -5.099 15.363 -2.110 1.00 0.00 C ATOM 1731 CD1 TRP A 113 -5.925 14.306 -1.872 1.00 0.00 C ATOM 1732 CD2 TRP A 113 -4.180 14.945 -3.112 1.00 0.00 C ATOM 1733 NE1 TRP A 113 -5.569 13.248 -2.676 1.00 0.00 N ATOM 1734 CE2 TRP A 113 -4.493 13.618 -3.444 1.00 0.00 C ATOM 1735 CE3 TRP A 113 -3.117 15.580 -3.758 1.00 0.00 C ATOM 1736 CZ2 TRP A 113 -3.774 12.904 -4.401 1.00 0.00 C ATOM 1737 CZ3 TRP A 113 -2.405 14.873 -4.709 1.00 0.00 C ATOM 1738 CH2 TRP A 113 -2.736 13.547 -5.022 1.00 0.00 C ATOM 0 HA TRP A 113 -5.965 16.178 0.434 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -5.343 17.443 -2.271 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -4.117 16.938 -1.125 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -6.737 14.300 -1.160 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -6.029 12.338 -2.698 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -2.857 16.601 -3.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -4.026 11.882 -4.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.581 15.350 -5.219 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -2.160 13.021 -5.769 1.00 0.00 H new ATOM 1749 N ASN A 114 -4.758 18.437 0.907 1.00 0.00 N ATOM 1750 CA ASN A 114 -4.309 19.711 1.402 1.00 0.00 C ATOM 1751 C ASN A 114 -2.789 19.731 1.348 1.00 0.00 C ATOM 1752 O ASN A 114 -2.123 18.908 1.973 1.00 0.00 O ATOM 1753 CB ASN A 114 -4.798 19.943 2.833 1.00 0.00 C ATOM 1754 CG ASN A 114 -6.301 20.122 2.908 1.00 0.00 C ATOM 1755 OD1 ASN A 114 -6.820 21.218 2.697 1.00 0.00 O ATOM 1756 ND2 ASN A 114 -7.012 19.041 3.211 1.00 0.00 N ATOM 0 H ASN A 114 -4.169 17.650 1.181 1.00 0.00 H new ATOM 0 HA ASN A 114 -4.717 20.511 0.785 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -4.504 19.098 3.456 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -4.309 20.827 3.243 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -8.028 19.101 3.276 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -6.542 18.152 3.378 1.00 0.00 H new ATOM 1763 N ASP A 115 -2.251 20.669 0.588 1.00 0.00 N ATOM 1764 CA ASP A 115 -0.811 20.796 0.433 1.00 0.00 C ATOM 1765 C ASP A 115 -0.218 21.679 1.529 1.00 0.00 C ATOM 1766 O ASP A 115 -0.480 22.881 1.579 1.00 0.00 O ATOM 1767 CB ASP A 115 -0.492 21.371 -0.946 1.00 0.00 C ATOM 1768 CG ASP A 115 0.999 21.402 -1.219 1.00 0.00 C ATOM 1769 OD1 ASP A 115 1.591 20.319 -1.409 1.00 0.00 O ATOM 1770 OD2 ASP A 115 1.575 22.510 -1.237 1.00 0.00 O ATOM 0 H ASP A 115 -2.793 21.358 0.066 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.362 19.807 0.522 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -0.988 20.774 -1.711 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -0.895 22.381 -1.019 1.00 0.00 H new ATOM 1891 N GLY A 123 -3.604 10.832 11.407 1.00 0.00 N ATOM 1892 CA GLY A 123 -3.534 9.665 12.267 1.00 0.00 C ATOM 1893 C GLY A 123 -3.720 8.355 11.524 1.00 0.00 C ATOM 1894 O GLY A 123 -3.892 7.307 12.147 1.00 0.00 O ATOM 0 HA2 GLY A 123 -2.568 9.653 12.773 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -4.298 9.747 13.040 1.00 0.00 H new ATOM 1898 N ALA A 124 -3.681 8.402 10.195 1.00 0.00 N ATOM 1899 CA ALA A 124 -3.844 7.197 9.394 1.00 0.00 C ATOM 1900 C ALA A 124 -2.808 7.134 8.278 1.00 0.00 C ATOM 1901 O ALA A 124 -2.639 8.090 7.523 1.00 0.00 O ATOM 1902 CB ALA A 124 -5.249 7.132 8.817 1.00 0.00 C ATOM 0 H ALA A 124 -3.539 9.256 9.655 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.691 6.336 10.045 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.356 6.226 8.221 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -5.976 7.120 9.629 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.424 8.004 8.187 1.00 0.00 H new ATOM 1908 N TRP A 125 -2.124 5.998 8.172 1.00 0.00 N ATOM 1909 CA TRP A 125 -1.114 5.811 7.143 1.00 0.00 C ATOM 1910 C TRP A 125 -1.665 4.972 5.998 1.00 0.00 C ATOM 1911 O TRP A 125 -2.317 3.943 6.214 1.00 0.00 O ATOM 1912 CB TRP A 125 0.159 5.166 7.718 1.00 0.00 C ATOM 1913 CG TRP A 125 -0.080 3.990 8.627 1.00 0.00 C ATOM 1914 CD1 TRP A 125 -1.212 3.234 8.730 1.00 0.00 C ATOM 1915 CD2 TRP A 125 0.855 3.435 9.562 1.00 0.00 C ATOM 1916 NE1 TRP A 125 -1.041 2.250 9.673 1.00 0.00 N ATOM 1917 CE2 TRP A 125 0.220 2.351 10.196 1.00 0.00 C ATOM 1918 CE3 TRP A 125 2.167 3.750 9.925 1.00 0.00 C ATOM 1919 CZ2 TRP A 125 0.852 1.583 11.171 1.00 0.00 C ATOM 1920 CZ3 TRP A 125 2.794 2.986 10.892 1.00 0.00 C ATOM 1921 CH2 TRP A 125 2.136 1.914 11.505 1.00 0.00 C ATOM 0 H TRP A 125 -2.253 5.195 8.788 1.00 0.00 H new ATOM 0 HA TRP A 125 -0.846 6.795 6.758 1.00 0.00 H new ATOM 0 HB2 TRP A 125 0.791 4.844 6.890 1.00 0.00 H new ATOM 0 HB3 TRP A 125 0.716 5.924 8.268 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -2.112 3.387 8.153 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -1.740 1.557 9.940 1.00 0.00 H new ATOM 0 HE3 TRP A 125 2.683 4.576 9.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 0.346 0.756 11.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 3.808 3.221 11.179 1.00 0.00 H new ATOM 0 HH2 TRP A 125 2.653 1.336 12.257 1.00 0.00 H new ATOM 1932 N VAL A 126 -1.420 5.423 4.777 1.00 0.00 N ATOM 1933 CA VAL A 126 -1.907 4.715 3.612 1.00 0.00 C ATOM 1934 C VAL A 126 -0.819 4.519 2.555 1.00 0.00 C ATOM 1935 O VAL A 126 -0.142 5.462 2.147 1.00 0.00 O ATOM 1936 CB VAL A 126 -3.129 5.430 2.997 1.00 0.00 C ATOM 1937 CG1 VAL A 126 -3.129 6.903 3.346 1.00 0.00 C ATOM 1938 CG2 VAL A 126 -3.193 5.226 1.494 1.00 0.00 C ATOM 0 H VAL A 126 -0.890 6.270 4.572 1.00 0.00 H new ATOM 0 HA VAL A 126 -2.214 3.727 3.954 1.00 0.00 H new ATOM 0 HB VAL A 126 -4.024 4.982 3.428 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -4.000 7.383 2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -3.165 7.020 4.429 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -2.222 7.368 2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -4.065 5.743 1.094 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.290 5.628 1.034 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -3.269 4.161 1.274 1.00 0.00 H new ATOM 1948 N CYS A 127 -0.681 3.271 2.119 1.00 0.00 N ATOM 1949 CA CYS A 127 0.295 2.877 1.100 1.00 0.00 C ATOM 1950 C CYS A 127 -0.329 1.844 0.179 1.00 0.00 C ATOM 1951 O CYS A 127 -1.339 1.255 0.521 1.00 0.00 O ATOM 1952 CB CYS A 127 1.560 2.304 1.736 1.00 0.00 C ATOM 1953 SG CYS A 127 2.358 3.410 2.940 1.00 0.00 S ATOM 0 H CYS A 127 -1.247 2.495 2.464 1.00 0.00 H new ATOM 0 HA CYS A 127 0.576 3.763 0.531 1.00 0.00 H new ATOM 0 HB2 CYS A 127 1.311 1.366 2.231 1.00 0.00 H new ATOM 0 HB3 CYS A 127 2.275 2.068 0.947 1.00 0.00 H new ATOM 1958 N ASP A 128 0.257 1.600 -0.982 1.00 0.00 N ATOM 1959 CA ASP A 128 -0.312 0.613 -1.879 1.00 0.00 C ATOM 1960 C ASP A 128 0.704 -0.453 -2.237 1.00 0.00 C ATOM 1961 O ASP A 128 1.889 -0.179 -2.410 1.00 0.00 O ATOM 1962 CB ASP A 128 -0.841 1.283 -3.149 1.00 0.00 C ATOM 1963 CG ASP A 128 0.117 2.322 -3.702 1.00 0.00 C ATOM 1964 OD1 ASP A 128 1.333 2.207 -3.447 1.00 0.00 O ATOM 1965 OD2 ASP A 128 -0.352 3.250 -4.393 1.00 0.00 O ATOM 0 H ASP A 128 1.104 2.059 -1.318 1.00 0.00 H new ATOM 0 HA ASP A 128 -1.142 0.133 -1.361 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -1.024 0.522 -3.908 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -1.799 1.756 -2.934 1.00 0.00 H new ATOM 1970 N ARG A 129 0.208 -1.674 -2.341 1.00 0.00 N ATOM 1971 CA ARG A 129 1.026 -2.830 -2.669 1.00 0.00 C ATOM 1972 C ARG A 129 0.158 -3.908 -3.298 1.00 0.00 C ATOM 1973 O ARG A 129 -1.044 -3.965 -3.047 1.00 0.00 O ATOM 1974 CB ARG A 129 1.704 -3.371 -1.406 1.00 0.00 C ATOM 1975 CG ARG A 129 2.426 -4.694 -1.611 1.00 0.00 C ATOM 1976 CD ARG A 129 1.892 -5.768 -0.677 1.00 0.00 C ATOM 1977 NE ARG A 129 2.896 -6.789 -0.387 1.00 0.00 N ATOM 1978 CZ ARG A 129 2.885 -7.543 0.709 1.00 0.00 C ATOM 1979 NH1 ARG A 129 1.926 -7.391 1.614 1.00 0.00 N ATOM 1980 NH2 ARG A 129 3.831 -8.451 0.900 1.00 0.00 N ATOM 0 H ARG A 129 -0.778 -1.893 -2.200 1.00 0.00 H new ATOM 0 HA ARG A 129 1.797 -2.532 -3.379 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.418 -2.631 -1.044 1.00 0.00 H new ATOM 0 HB3 ARG A 129 0.952 -3.496 -0.627 1.00 0.00 H new ATOM 0 HG2 ARG A 129 2.309 -5.018 -2.645 1.00 0.00 H new ATOM 0 HG3 ARG A 129 3.494 -4.558 -1.439 1.00 0.00 H new ATOM 0 HD2 ARG A 129 1.563 -5.308 0.255 1.00 0.00 H new ATOM 0 HD3 ARG A 129 1.017 -6.237 -1.127 1.00 0.00 H new ATOM 0 HE ARG A 129 3.647 -6.932 -1.062 1.00 0.00 H new ATOM 0 HH11 ARG A 129 1.195 -6.695 1.470 1.00 0.00 H new ATOM 0 HH12 ARG A 129 1.920 -7.971 2.453 1.00 0.00 H new ATOM 0 HH21 ARG A 129 4.569 -8.572 0.206 1.00 0.00 H new ATOM 0 HH22 ARG A 129 3.821 -9.028 1.741 1.00 0.00 H new ATOM 1994 N LEU A 130 0.762 -4.762 -4.110 1.00 0.00 N ATOM 1995 CA LEU A 130 0.015 -5.831 -4.760 1.00 0.00 C ATOM 1996 C LEU A 130 -0.495 -6.833 -3.733 1.00 0.00 C ATOM 1997 O LEU A 130 0.245 -7.272 -2.853 1.00 0.00 O ATOM 1998 CB LEU A 130 0.883 -6.532 -5.805 1.00 0.00 C ATOM 1999 CG LEU A 130 1.678 -5.595 -6.718 1.00 0.00 C ATOM 2000 CD1 LEU A 130 2.208 -6.350 -7.926 1.00 0.00 C ATOM 2001 CD2 LEU A 130 0.822 -4.413 -7.158 1.00 0.00 C ATOM 0 H LEU A 130 1.757 -4.738 -4.334 1.00 0.00 H new ATOM 0 HA LEU A 130 -0.845 -5.389 -5.264 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.581 -7.193 -5.292 1.00 0.00 H new ATOM 0 HB3 LEU A 130 0.244 -7.162 -6.424 1.00 0.00 H new ATOM 0 HG LEU A 130 2.527 -5.209 -6.154 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.770 -5.668 -8.563 1.00 0.00 H new ATOM 0 HD12 LEU A 130 2.861 -7.157 -7.593 1.00 0.00 H new ATOM 0 HD13 LEU A 130 1.373 -6.768 -8.489 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.408 -3.761 -7.806 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -0.049 -4.777 -7.702 1.00 0.00 H new ATOM 0 HD23 LEU A 130 0.495 -3.854 -6.281 1.00 0.00 H new