USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 956 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 29 TYR OH : rot 60:sc= -0.244 USER MOD Set 1.2: A 53 SER OG : rot 131:sc= -0.168! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -7.77! C(o=-7.8!,f=-23!) USER MOD Single : A 20 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0483) USER MOD Single : A 22 SER OG : rot -5:sc= -2.31! USER MOD Single : A 25 CYS SG : rot 74:sc= 0.331 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -0.0677 X(o=-0.068,f=-0.07) USER MOD Single : A 41 GLN : amide:sc=-0.00336 K(o=-0.0034,f=-0.59) USER MOD Single : A 42 THR OG1 : rot 89:sc= 0.938 USER MOD Single : A 45 GLN : amide:sc= -1.39! K(o=-1.4!,f=-2.2) USER MOD Single : A 46 ASN : amide:sc= -6.36! C(o=-6.4!,f=-18!) USER MOD Single : A 48 CYS SG : rot -39:sc= -3.99 USER MOD Single : A 60 THR OG1 : rot -130:sc= -0.192 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -3.39! K(o=-3.4!,f=-1.7) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 147:sc= 0.526 (180deg=0.0695) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 MET CE :methyl 141:sc= -0.412 (180deg=-3.43!) USER MOD Single : A 104 ASN : amide:sc=-0.00708 X(o=-0.0071,f=-0.19) USER MOD Single : A 107 CYS SG : rot -23:sc= -10.9! USER MOD Single : A 111 LYS NZ :NH3+ -167:sc=-0.00152 (180deg=-0.142) USER MOD Single : A 117 HIS : no HE2:sc= -3.32! C(o=-3.3!,f=-9.1!) USER MOD Single : A 122 MET CE :methyl 152:sc= -0.153 (180deg=-0.944) USER MOD Single : A 124 CYS SG : rot 180:sc= 0.267 USER MOD Single : A 133 GLN : amide:sc= -0.0663 K(o=-0.066,f=-1.3!) USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 11 -4.205 -23.995 -1.438 1.00 0.00 N ATOM 112 CA LYS A 11 -3.378 -23.223 -2.415 1.00 0.00 C ATOM 113 C LYS A 11 -2.320 -22.401 -1.677 1.00 0.00 C ATOM 114 O LYS A 11 -1.173 -22.337 -2.073 1.00 0.00 O ATOM 115 CB LYS A 11 -4.251 -22.287 -3.255 1.00 0.00 C ATOM 116 CG LYS A 11 -5.288 -21.590 -2.372 1.00 0.00 C ATOM 117 CD LYS A 11 -6.089 -20.586 -3.218 1.00 0.00 C ATOM 118 CE LYS A 11 -7.152 -21.320 -4.046 1.00 0.00 C ATOM 119 NZ LYS A 11 -8.125 -20.329 -4.593 1.00 0.00 N ATOM 0 HA LYS A 11 -2.890 -23.937 -3.078 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.626 -21.543 -3.750 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.753 -22.854 -4.039 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.959 -22.326 -1.930 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.793 -21.075 -1.549 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.566 -19.852 -2.569 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.417 -20.038 -3.879 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.679 -21.870 -4.860 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.671 -22.052 -3.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.847 -20.825 -5.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.584 -19.824 -3.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.623 -19.647 -5.198 1.00 0.00 H new ATOM 133 N PHE A 12 -2.699 -21.758 -0.617 1.00 0.00 N ATOM 134 CA PHE A 12 -1.730 -20.924 0.137 1.00 0.00 C ATOM 135 C PHE A 12 -0.553 -21.767 0.679 1.00 0.00 C ATOM 136 O PHE A 12 0.575 -21.317 0.700 1.00 0.00 O ATOM 137 CB PHE A 12 -2.457 -20.194 1.283 1.00 0.00 C ATOM 138 CG PHE A 12 -1.442 -19.630 2.258 1.00 0.00 C ATOM 139 CD1 PHE A 12 -0.913 -18.346 2.063 1.00 0.00 C ATOM 140 CD2 PHE A 12 -1.010 -20.407 3.343 1.00 0.00 C ATOM 141 CE1 PHE A 12 0.045 -17.846 2.956 1.00 0.00 C ATOM 142 CE2 PHE A 12 -0.056 -19.899 4.234 1.00 0.00 C ATOM 143 CZ PHE A 12 0.471 -18.620 4.038 1.00 0.00 C ATOM 0 H PHE A 12 -3.645 -21.773 -0.236 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.307 -20.187 -0.545 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.074 -19.391 0.881 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.126 -20.883 1.798 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.242 -17.745 1.228 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.413 -21.398 3.492 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.455 -16.858 2.807 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.272 -20.496 5.072 1.00 0.00 H new ATOM 0 HZ PHE A 12 1.208 -18.229 4.724 1.00 0.00 H new ATOM 153 N GLU A 13 -0.797 -22.960 1.167 1.00 0.00 N ATOM 154 CA GLU A 13 0.331 -23.762 1.744 1.00 0.00 C ATOM 155 C GLU A 13 1.237 -24.390 0.672 1.00 0.00 C ATOM 156 O GLU A 13 2.329 -24.821 0.984 1.00 0.00 O ATOM 157 CB GLU A 13 -0.212 -24.867 2.664 1.00 0.00 C ATOM 158 CG GLU A 13 -0.893 -25.968 1.849 1.00 0.00 C ATOM 159 CD GLU A 13 -1.641 -26.928 2.786 1.00 0.00 C ATOM 160 OE1 GLU A 13 -2.790 -26.651 3.096 1.00 0.00 O ATOM 161 OE2 GLU A 13 -1.050 -27.924 3.179 1.00 0.00 O ATOM 0 H GLU A 13 -1.713 -23.408 1.192 1.00 0.00 H new ATOM 0 HA GLU A 13 0.941 -23.062 2.315 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.604 -25.293 3.248 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.923 -24.440 3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.589 -25.526 1.136 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.150 -26.517 1.271 1.00 0.00 H new ATOM 168 N ASN A 14 0.807 -24.492 -0.568 1.00 0.00 N ATOM 169 CA ASN A 14 1.678 -25.155 -1.609 1.00 0.00 C ATOM 170 C ASN A 14 2.328 -24.145 -2.572 1.00 0.00 C ATOM 171 O ASN A 14 3.339 -24.442 -3.178 1.00 0.00 O ATOM 172 CB ASN A 14 0.831 -26.164 -2.394 1.00 0.00 C ATOM 173 CG ASN A 14 -0.529 -25.560 -2.713 1.00 0.00 C ATOM 174 OD1 ASN A 14 -0.623 -24.394 -3.014 1.00 0.00 O ATOM 175 ND2 ASN A 14 -1.594 -26.310 -2.644 1.00 0.00 N ATOM 0 H ASN A 14 -0.094 -24.152 -0.904 1.00 0.00 H new ATOM 0 HA ASN A 14 2.494 -25.660 -1.091 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.341 -26.441 -3.317 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.706 -27.077 -1.813 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.512 -25.912 -2.845 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.509 -27.294 -2.389 1.00 0.00 H new ATOM 182 N GLU A 15 1.789 -22.968 -2.729 1.00 0.00 N ATOM 183 CA GLU A 15 2.433 -21.986 -3.660 1.00 0.00 C ATOM 184 C GLU A 15 3.602 -21.288 -2.949 1.00 0.00 C ATOM 185 O GLU A 15 3.433 -20.649 -1.931 1.00 0.00 O ATOM 186 CB GLU A 15 1.401 -20.944 -4.129 1.00 0.00 C ATOM 187 CG GLU A 15 0.602 -21.475 -5.330 1.00 0.00 C ATOM 188 CD GLU A 15 -0.212 -22.704 -4.930 1.00 0.00 C ATOM 189 OE1 GLU A 15 -1.311 -22.528 -4.433 1.00 0.00 O ATOM 190 OE2 GLU A 15 0.272 -23.805 -5.140 1.00 0.00 O ATOM 0 H GLU A 15 0.943 -22.642 -2.262 1.00 0.00 H new ATOM 0 HA GLU A 15 2.812 -22.518 -4.532 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.722 -20.704 -3.311 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.909 -20.019 -4.404 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.063 -20.697 -5.704 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.282 -21.731 -6.142 1.00 0.00 H new ATOM 197 N GLU A 16 4.781 -21.415 -3.492 1.00 0.00 N ATOM 198 CA GLU A 16 5.985 -20.771 -2.877 1.00 0.00 C ATOM 199 C GLU A 16 6.019 -19.281 -3.228 1.00 0.00 C ATOM 200 O GLU A 16 6.864 -18.541 -2.772 1.00 0.00 O ATOM 201 CB GLU A 16 7.241 -21.453 -3.414 1.00 0.00 C ATOM 202 CG GLU A 16 7.222 -22.936 -3.033 1.00 0.00 C ATOM 203 CD GLU A 16 6.287 -23.708 -3.967 1.00 0.00 C ATOM 204 OE1 GLU A 16 6.063 -23.247 -5.072 1.00 0.00 O ATOM 205 OE2 GLU A 16 5.807 -24.749 -3.558 1.00 0.00 O ATOM 0 H GLU A 16 4.968 -21.942 -4.345 1.00 0.00 H new ATOM 0 HA GLU A 16 5.940 -20.876 -1.793 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.290 -21.346 -4.498 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.131 -20.973 -3.006 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.229 -23.348 -3.093 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.892 -23.050 -2.000 1.00 0.00 H new ATOM 212 N PHE A 17 5.123 -18.855 -4.062 1.00 0.00 N ATOM 213 CA PHE A 17 5.081 -17.430 -4.503 1.00 0.00 C ATOM 214 C PHE A 17 5.029 -16.469 -3.310 1.00 0.00 C ATOM 215 O PHE A 17 5.289 -15.293 -3.456 1.00 0.00 O ATOM 216 CB PHE A 17 3.824 -17.258 -5.391 1.00 0.00 C ATOM 217 CG PHE A 17 3.251 -15.849 -5.307 1.00 0.00 C ATOM 218 CD1 PHE A 17 4.002 -14.763 -5.767 1.00 0.00 C ATOM 219 CD2 PHE A 17 1.968 -15.638 -4.777 1.00 0.00 C ATOM 220 CE1 PHE A 17 3.476 -13.467 -5.702 1.00 0.00 C ATOM 221 CE2 PHE A 17 1.441 -14.340 -4.711 1.00 0.00 C ATOM 222 CZ PHE A 17 2.195 -13.258 -5.174 1.00 0.00 C ATOM 0 H PHE A 17 4.398 -19.445 -4.470 1.00 0.00 H new ATOM 0 HA PHE A 17 5.988 -17.189 -5.058 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.079 -17.484 -6.426 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.064 -17.977 -5.085 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.990 -14.924 -6.173 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.387 -16.475 -4.420 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.057 -12.629 -6.058 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.454 -14.177 -4.303 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.789 -12.258 -5.125 1.00 0.00 H new ATOM 232 N PHE A 18 4.683 -16.923 -2.143 1.00 0.00 N ATOM 233 CA PHE A 18 4.601 -15.960 -1.012 1.00 0.00 C ATOM 234 C PHE A 18 6.003 -15.590 -0.527 1.00 0.00 C ATOM 235 O PHE A 18 6.384 -14.442 -0.550 1.00 0.00 O ATOM 236 CB PHE A 18 3.806 -16.585 0.128 1.00 0.00 C ATOM 237 CG PHE A 18 2.487 -17.061 -0.429 1.00 0.00 C ATOM 238 CD1 PHE A 18 1.538 -16.127 -0.864 1.00 0.00 C ATOM 239 CD2 PHE A 18 2.221 -18.427 -0.532 1.00 0.00 C ATOM 240 CE1 PHE A 18 0.320 -16.562 -1.399 1.00 0.00 C ATOM 241 CE2 PHE A 18 1.010 -18.864 -1.070 1.00 0.00 C ATOM 242 CZ PHE A 18 0.056 -17.933 -1.504 1.00 0.00 C ATOM 0 H PHE A 18 4.458 -17.893 -1.923 1.00 0.00 H new ATOM 0 HA PHE A 18 4.100 -15.053 -1.351 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.357 -17.417 0.566 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.643 -15.857 0.923 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.746 -15.070 -0.786 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.953 -19.146 -0.195 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.414 -15.842 -1.730 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.807 -19.922 -1.152 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.881 -18.273 -1.919 1.00 0.00 H new ATOM 252 N ARG A 19 6.791 -16.534 -0.109 1.00 0.00 N ATOM 253 CA ARG A 19 8.160 -16.176 0.355 1.00 0.00 C ATOM 254 C ARG A 19 8.954 -15.532 -0.793 1.00 0.00 C ATOM 255 O ARG A 19 9.747 -14.637 -0.580 1.00 0.00 O ATOM 256 CB ARG A 19 8.909 -17.423 0.871 1.00 0.00 C ATOM 257 CG ARG A 19 8.440 -18.682 0.117 1.00 0.00 C ATOM 258 CD ARG A 19 7.190 -19.310 0.796 1.00 0.00 C ATOM 259 NE ARG A 19 7.576 -20.536 1.576 1.00 0.00 N ATOM 260 CZ ARG A 19 8.195 -21.542 1.019 1.00 0.00 C ATOM 261 NH1 ARG A 19 8.454 -21.535 -0.260 1.00 0.00 N ATOM 262 NH2 ARG A 19 8.548 -22.564 1.746 1.00 0.00 N ATOM 0 H ARG A 19 6.554 -17.525 -0.067 1.00 0.00 H new ATOM 0 HA ARG A 19 8.067 -15.464 1.175 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.983 -17.291 0.738 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.733 -17.545 1.940 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.205 -18.424 -0.916 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.247 -19.414 0.088 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.724 -18.581 1.459 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.450 -19.571 0.039 1.00 0.00 H new ATOM 0 HE ARG A 19 7.348 -20.583 2.569 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.173 -20.739 -0.833 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.938 -22.325 -0.687 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.341 -22.575 2.745 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.032 -23.353 1.316 1.00 0.00 H new ATOM 276 N LYS A 20 8.783 -16.004 -1.997 1.00 0.00 N ATOM 277 CA LYS A 20 9.576 -15.428 -3.117 1.00 0.00 C ATOM 278 C LYS A 20 9.290 -13.930 -3.308 1.00 0.00 C ATOM 279 O LYS A 20 10.192 -13.159 -3.564 1.00 0.00 O ATOM 280 CB LYS A 20 9.260 -16.187 -4.410 1.00 0.00 C ATOM 281 CG LYS A 20 9.710 -17.646 -4.270 1.00 0.00 C ATOM 282 CD LYS A 20 9.502 -18.365 -5.606 1.00 0.00 C ATOM 283 CE LYS A 20 9.958 -19.823 -5.489 1.00 0.00 C ATOM 284 NZ LYS A 20 11.445 -19.871 -5.525 1.00 0.00 N ATOM 0 H LYS A 20 8.138 -16.752 -2.251 1.00 0.00 H new ATOM 0 HA LYS A 20 10.633 -15.533 -2.871 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.191 -16.143 -4.618 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.768 -15.718 -5.253 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.760 -17.689 -3.979 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.140 -18.141 -3.484 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.451 -18.325 -5.891 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.064 -17.861 -6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.590 -20.259 -4.560 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.543 -20.414 -6.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.758 -20.858 -5.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.791 -19.321 -6.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.827 -19.467 -4.646 1.00 0.00 H new ATOM 298 N LEU A 21 8.049 -13.514 -3.184 1.00 0.00 N ATOM 299 CA LEU A 21 7.694 -12.060 -3.374 1.00 0.00 C ATOM 300 C LEU A 21 7.052 -11.513 -2.095 1.00 0.00 C ATOM 301 O LEU A 21 7.320 -10.404 -1.681 1.00 0.00 O ATOM 302 CB LEU A 21 6.676 -11.922 -4.531 1.00 0.00 C ATOM 303 CG LEU A 21 7.380 -11.725 -5.891 1.00 0.00 C ATOM 304 CD1 LEU A 21 7.926 -10.290 -6.018 1.00 0.00 C ATOM 305 CD2 LEU A 21 8.529 -12.729 -6.059 1.00 0.00 C ATOM 0 H LEU A 21 7.260 -14.120 -2.958 1.00 0.00 H new ATOM 0 HA LEU A 21 8.602 -11.502 -3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.049 -12.812 -4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.017 -11.076 -4.337 1.00 0.00 H new ATOM 0 HG LEU A 21 6.643 -11.896 -6.676 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.418 -10.172 -6.983 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.103 -9.579 -5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.644 -10.102 -5.219 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.011 -12.572 -7.024 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.258 -12.585 -5.262 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.135 -13.744 -6.011 1.00 0.00 H new ATOM 317 N SER A 22 6.184 -12.265 -1.480 1.00 0.00 N ATOM 318 CA SER A 22 5.528 -11.744 -0.252 1.00 0.00 C ATOM 319 C SER A 22 6.522 -11.767 0.913 1.00 0.00 C ATOM 320 O SER A 22 6.354 -12.485 1.877 1.00 0.00 O ATOM 321 CB SER A 22 4.280 -12.576 0.083 1.00 0.00 C ATOM 322 OG SER A 22 4.649 -13.727 0.830 1.00 0.00 O ATOM 0 H SER A 22 5.904 -13.202 -1.769 1.00 0.00 H new ATOM 0 HA SER A 22 5.212 -10.715 -0.425 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.573 -11.973 0.654 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.775 -12.875 -0.835 1.00 0.00 H new ATOM 0 HG SER A 22 5.625 -13.771 0.902 1.00 0.00 H new ATOM 328 N ARG A 23 7.552 -10.956 0.821 1.00 0.00 N ATOM 329 CA ARG A 23 8.584 -10.873 1.905 1.00 0.00 C ATOM 330 C ARG A 23 9.144 -9.449 1.959 1.00 0.00 C ATOM 331 O ARG A 23 8.758 -8.586 1.192 1.00 0.00 O ATOM 332 CB ARG A 23 9.731 -11.882 1.639 1.00 0.00 C ATOM 333 CG ARG A 23 9.451 -13.223 2.353 1.00 0.00 C ATOM 334 CD ARG A 23 10.112 -13.229 3.736 1.00 0.00 C ATOM 335 NE ARG A 23 9.981 -11.879 4.352 1.00 0.00 N ATOM 336 CZ ARG A 23 10.161 -11.734 5.632 1.00 0.00 C ATOM 337 NH1 ARG A 23 10.485 -12.766 6.357 1.00 0.00 N ATOM 338 NH2 ARG A 23 10.026 -10.561 6.186 1.00 0.00 N ATOM 0 H ARG A 23 7.723 -10.339 0.027 1.00 0.00 H new ATOM 0 HA ARG A 23 8.121 -11.122 2.860 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.834 -12.049 0.567 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.676 -11.467 1.990 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.376 -13.373 2.454 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.833 -14.050 1.755 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.642 -13.979 4.373 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.164 -13.500 3.647 1.00 0.00 H new ATOM 0 HE ARG A 23 9.751 -11.072 3.772 1.00 0.00 H new ATOM 0 HH11 ARG A 23 10.596 -13.681 5.921 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.628 -12.659 7.361 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.778 -9.753 5.615 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.168 -10.452 7.190 1.00 0.00 H new ATOM 352 N GLU A 24 10.049 -9.208 2.868 1.00 0.00 N ATOM 353 CA GLU A 24 10.656 -7.848 2.984 1.00 0.00 C ATOM 354 C GLU A 24 11.300 -7.492 1.642 1.00 0.00 C ATOM 355 O GLU A 24 12.237 -8.126 1.199 1.00 0.00 O ATOM 356 CB GLU A 24 11.694 -7.852 4.116 1.00 0.00 C ATOM 357 CG GLU A 24 12.940 -8.635 3.691 1.00 0.00 C ATOM 358 CD GLU A 24 13.730 -9.071 4.928 1.00 0.00 C ATOM 359 OE1 GLU A 24 13.288 -8.785 6.026 1.00 0.00 O ATOM 360 OE2 GLU A 24 14.768 -9.685 4.753 1.00 0.00 O ATOM 0 H GLU A 24 10.396 -9.895 3.538 1.00 0.00 H new ATOM 0 HA GLU A 24 9.899 -7.101 3.223 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.969 -6.828 4.371 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.263 -8.299 5.012 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.649 -9.509 3.108 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.567 -8.017 3.048 1.00 0.00 H new ATOM 367 N CYS A 25 10.778 -6.492 0.976 1.00 0.00 N ATOM 368 CA CYS A 25 11.329 -6.082 -0.355 1.00 0.00 C ATOM 369 C CYS A 25 11.497 -4.561 -0.418 1.00 0.00 C ATOM 370 O CYS A 25 10.754 -3.822 0.198 1.00 0.00 O ATOM 371 CB CYS A 25 10.358 -6.529 -1.445 1.00 0.00 C ATOM 372 SG CYS A 25 10.413 -8.329 -1.589 1.00 0.00 S ATOM 0 H CYS A 25 9.986 -5.936 1.300 1.00 0.00 H new ATOM 0 HA CYS A 25 12.304 -6.547 -0.501 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.346 -6.202 -1.204 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.623 -6.068 -2.396 1.00 0.00 H new ATOM 0 HG CYS A 25 9.804 -8.864 -0.573 1.00 0.00 H new ATOM 378 N GLU A 26 12.445 -4.089 -1.183 1.00 0.00 N ATOM 379 CA GLU A 26 12.637 -2.613 -1.315 1.00 0.00 C ATOM 380 C GLU A 26 11.456 -2.033 -2.112 1.00 0.00 C ATOM 381 O GLU A 26 10.968 -2.663 -3.028 1.00 0.00 O ATOM 382 CB GLU A 26 13.946 -2.334 -2.056 1.00 0.00 C ATOM 383 CG GLU A 26 15.133 -2.853 -1.236 1.00 0.00 C ATOM 384 CD GLU A 26 16.430 -2.641 -2.023 1.00 0.00 C ATOM 385 OE1 GLU A 26 16.343 -2.304 -3.190 1.00 0.00 O ATOM 386 OE2 GLU A 26 17.487 -2.831 -1.447 1.00 0.00 O ATOM 0 H GLU A 26 13.095 -4.661 -1.723 1.00 0.00 H new ATOM 0 HA GLU A 26 12.681 -2.151 -0.329 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.930 -2.816 -3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 26 14.054 -1.263 -2.230 1.00 0.00 H new ATOM 0 HG2 GLU A 26 15.185 -2.330 -0.281 1.00 0.00 H new ATOM 0 HG3 GLU A 26 14.999 -3.912 -1.013 1.00 0.00 H new ATOM 393 N ILE A 27 10.977 -0.845 -1.775 1.00 0.00 N ATOM 394 CA ILE A 27 9.810 -0.266 -2.532 1.00 0.00 C ATOM 395 C ILE A 27 10.008 1.227 -2.818 1.00 0.00 C ATOM 396 O ILE A 27 10.684 1.942 -2.086 1.00 0.00 O ATOM 397 CB ILE A 27 8.536 -0.458 -1.697 1.00 0.00 C ATOM 398 CG1 ILE A 27 8.495 0.511 -0.499 1.00 0.00 C ATOM 399 CG2 ILE A 27 8.508 -1.880 -1.158 1.00 0.00 C ATOM 400 CD1 ILE A 27 7.214 0.275 0.314 1.00 0.00 C ATOM 0 H ILE A 27 11.339 -0.262 -1.020 1.00 0.00 H new ATOM 0 HA ILE A 27 9.728 -0.783 -3.488 1.00 0.00 H new ATOM 0 HB ILE A 27 7.678 -0.260 -2.340 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.371 0.361 0.132 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.529 1.542 -0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.606 -2.026 -0.563 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.512 -2.585 -1.990 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.386 -2.050 -0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.188 0.962 1.160 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.344 0.447 -0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.199 -0.752 0.680 1.00 0.00 H new ATOM 412 N LYS A 28 9.368 1.710 -3.861 1.00 0.00 N ATOM 413 CA LYS A 28 9.459 3.158 -4.204 1.00 0.00 C ATOM 414 C LYS A 28 8.096 3.652 -4.697 1.00 0.00 C ATOM 415 O LYS A 28 7.430 3.025 -5.504 1.00 0.00 O ATOM 416 CB LYS A 28 10.516 3.381 -5.296 1.00 0.00 C ATOM 417 CG LYS A 28 10.179 2.543 -6.531 1.00 0.00 C ATOM 418 CD LYS A 28 11.259 2.733 -7.598 1.00 0.00 C ATOM 419 CE LYS A 28 10.946 1.826 -8.787 1.00 0.00 C ATOM 420 NZ LYS A 28 11.815 2.198 -9.937 1.00 0.00 N ATOM 0 H LYS A 28 8.785 1.156 -4.489 1.00 0.00 H new ATOM 0 HA LYS A 28 9.751 3.716 -3.314 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.557 4.437 -5.563 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.502 3.109 -4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.106 1.490 -6.258 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.207 2.838 -6.928 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.294 3.775 -7.918 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.240 2.492 -7.188 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.110 0.783 -8.516 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.896 1.922 -9.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.602 1.581 -10.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.637 3.188 -10.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.813 2.085 -9.668 1.00 0.00 H new ATOM 434 N TYR A 29 7.692 4.778 -4.188 1.00 0.00 N ATOM 435 CA TYR A 29 6.386 5.385 -4.560 1.00 0.00 C ATOM 436 C TYR A 29 6.450 5.921 -5.989 1.00 0.00 C ATOM 437 O TYR A 29 7.497 6.300 -6.476 1.00 0.00 O ATOM 438 CB TYR A 29 6.119 6.544 -3.600 1.00 0.00 C ATOM 439 CG TYR A 29 4.679 6.987 -3.672 1.00 0.00 C ATOM 440 CD1 TYR A 29 4.263 7.863 -4.677 1.00 0.00 C ATOM 441 CD2 TYR A 29 3.770 6.542 -2.708 1.00 0.00 C ATOM 442 CE1 TYR A 29 2.931 8.288 -4.725 1.00 0.00 C ATOM 443 CE2 TYR A 29 2.444 6.971 -2.754 1.00 0.00 C ATOM 444 CZ TYR A 29 2.021 7.843 -3.762 1.00 0.00 C ATOM 445 OH TYR A 29 0.711 8.266 -3.802 1.00 0.00 O ATOM 0 H TYR A 29 8.228 5.319 -3.510 1.00 0.00 H new ATOM 0 HA TYR A 29 5.593 4.639 -4.499 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.359 6.239 -2.581 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.773 7.381 -3.844 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.969 8.212 -5.416 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.094 5.867 -1.929 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.606 8.960 -5.506 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.741 6.629 -2.009 1.00 0.00 H new ATOM 0 HH TYR A 29 0.306 7.996 -4.653 1.00 0.00 H new ATOM 455 N THR A 30 5.336 5.979 -6.653 1.00 0.00 N ATOM 456 CA THR A 30 5.330 6.513 -8.038 1.00 0.00 C ATOM 457 C THR A 30 5.387 8.044 -7.975 1.00 0.00 C ATOM 458 O THR A 30 4.435 8.705 -7.615 1.00 0.00 O ATOM 459 CB THR A 30 4.038 6.069 -8.735 1.00 0.00 C ATOM 460 OG1 THR A 30 4.097 6.434 -10.104 1.00 0.00 O ATOM 461 CG2 THR A 30 2.819 6.742 -8.085 1.00 0.00 C ATOM 0 H THR A 30 4.428 5.680 -6.297 1.00 0.00 H new ATOM 0 HA THR A 30 6.189 6.139 -8.595 1.00 0.00 H new ATOM 0 HB THR A 30 3.938 4.988 -8.638 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.274 6.151 -10.554 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.910 6.416 -8.591 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.768 6.463 -7.033 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.913 7.825 -8.169 1.00 0.00 H new ATOM 469 N GLY A 31 6.507 8.625 -8.307 1.00 0.00 N ATOM 470 CA GLY A 31 6.609 10.111 -8.239 1.00 0.00 C ATOM 471 C GLY A 31 7.620 10.615 -9.259 1.00 0.00 C ATOM 472 O GLY A 31 8.595 9.959 -9.563 1.00 0.00 O ATOM 0 H GLY A 31 7.349 8.141 -8.620 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.634 10.559 -8.430 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.909 10.417 -7.237 1.00 0.00 H new ATOM 476 N PHE A 32 7.398 11.785 -9.800 1.00 0.00 N ATOM 477 CA PHE A 32 8.354 12.325 -10.807 1.00 0.00 C ATOM 478 C PHE A 32 9.457 13.135 -10.109 1.00 0.00 C ATOM 479 O PHE A 32 9.229 14.221 -9.612 1.00 0.00 O ATOM 480 CB PHE A 32 7.595 13.211 -11.800 1.00 0.00 C ATOM 481 CG PHE A 32 6.576 12.369 -12.545 1.00 0.00 C ATOM 482 CD1 PHE A 32 7.002 11.288 -13.332 1.00 0.00 C ATOM 483 CD2 PHE A 32 5.209 12.659 -12.446 1.00 0.00 C ATOM 484 CE1 PHE A 32 6.065 10.503 -14.012 1.00 0.00 C ATOM 485 CE2 PHE A 32 4.272 11.869 -13.125 1.00 0.00 C ATOM 486 CZ PHE A 32 4.700 10.791 -13.906 1.00 0.00 C ATOM 0 H PHE A 32 6.601 12.385 -9.589 1.00 0.00 H new ATOM 0 HA PHE A 32 8.820 11.498 -11.343 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.096 14.024 -11.272 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.291 13.667 -12.504 1.00 0.00 H new ATOM 0 HD1 PHE A 32 8.055 11.062 -13.413 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.877 13.493 -11.845 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.396 9.674 -14.620 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.218 12.093 -13.045 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.977 10.181 -14.427 1.00 0.00 H new ATOM 496 N ARG A 33 10.653 12.603 -10.091 1.00 0.00 N ATOM 497 CA ARG A 33 11.817 13.300 -9.453 1.00 0.00 C ATOM 498 C ARG A 33 12.164 14.576 -10.240 1.00 0.00 C ATOM 499 O ARG A 33 13.144 15.238 -9.956 1.00 0.00 O ATOM 500 CB ARG A 33 13.025 12.353 -9.423 1.00 0.00 C ATOM 501 CG ARG A 33 12.679 11.067 -8.642 1.00 0.00 C ATOM 502 CD ARG A 33 12.694 11.317 -7.127 1.00 0.00 C ATOM 503 NE ARG A 33 14.037 11.840 -6.715 1.00 0.00 N ATOM 504 CZ ARG A 33 15.127 11.136 -6.867 1.00 0.00 C ATOM 505 NH1 ARG A 33 15.073 9.912 -7.318 1.00 0.00 N ATOM 506 NH2 ARG A 33 16.279 11.652 -6.539 1.00 0.00 N ATOM 0 H ARG A 33 10.878 11.696 -10.500 1.00 0.00 H new ATOM 0 HA ARG A 33 11.555 13.581 -8.433 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.322 12.100 -10.441 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.875 12.852 -8.957 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.695 10.708 -8.944 1.00 0.00 H new ATOM 0 HG3 ARG A 33 13.394 10.283 -8.891 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.916 12.032 -6.859 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.474 10.392 -6.594 1.00 0.00 H new ATOM 0 HE ARG A 33 14.102 12.772 -6.305 1.00 0.00 H new ATOM 0 HH11 ARG A 33 14.173 9.495 -7.556 1.00 0.00 H new ATOM 0 HH12 ARG A 33 15.931 9.372 -7.432 1.00 0.00 H new ATOM 0 HH21 ARG A 33 16.325 12.600 -6.166 1.00 0.00 H new ATOM 0 HH22 ARG A 33 17.133 11.107 -6.655 1.00 0.00 H new ATOM 520 N ASP A 34 11.381 14.919 -11.233 1.00 0.00 N ATOM 521 CA ASP A 34 11.684 16.138 -12.035 1.00 0.00 C ATOM 522 C ASP A 34 11.425 17.381 -11.184 1.00 0.00 C ATOM 523 O ASP A 34 11.920 18.453 -11.473 1.00 0.00 O ATOM 524 CB ASP A 34 10.772 16.183 -13.273 1.00 0.00 C ATOM 525 CG ASP A 34 11.117 15.031 -14.221 1.00 0.00 C ATOM 526 OD1 ASP A 34 11.967 14.229 -13.867 1.00 0.00 O ATOM 527 OD2 ASP A 34 10.513 14.964 -15.281 1.00 0.00 O ATOM 0 H ASP A 34 10.547 14.407 -11.520 1.00 0.00 H new ATOM 0 HA ASP A 34 12.728 16.112 -12.349 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.728 16.113 -12.968 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.891 17.136 -13.788 1.00 0.00 H new ATOM 532 N ARG A 35 10.671 17.245 -10.123 1.00 0.00 N ATOM 533 CA ARG A 35 10.413 18.422 -9.245 1.00 0.00 C ATOM 534 C ARG A 35 11.561 18.523 -8.227 1.00 0.00 C ATOM 535 O ARG A 35 12.058 17.516 -7.762 1.00 0.00 O ATOM 536 CB ARG A 35 9.078 18.239 -8.509 1.00 0.00 C ATOM 537 CG ARG A 35 7.937 18.109 -9.523 1.00 0.00 C ATOM 538 CD ARG A 35 7.499 19.490 -10.018 1.00 0.00 C ATOM 539 NE ARG A 35 6.272 19.333 -10.836 1.00 0.00 N ATOM 540 CZ ARG A 35 5.556 20.373 -11.146 1.00 0.00 C ATOM 541 NH1 ARG A 35 5.926 21.564 -10.771 1.00 0.00 N ATOM 542 NH2 ARG A 35 4.468 20.220 -11.840 1.00 0.00 N ATOM 0 H ARG A 35 10.226 16.375 -9.829 1.00 0.00 H new ATOM 0 HA ARG A 35 10.359 19.333 -9.842 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.119 17.351 -7.879 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.896 19.089 -7.851 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.260 17.500 -10.367 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.092 17.596 -9.064 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.308 20.152 -9.173 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.292 19.949 -10.609 1.00 0.00 H new ATOM 0 HE ARG A 35 5.989 18.407 -11.156 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.782 21.685 -10.231 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.359 22.375 -11.018 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.180 19.288 -12.138 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.902 21.032 -12.086 1.00 0.00 H new ATOM 556 N PRO A 36 12.002 19.710 -7.882 1.00 0.00 N ATOM 557 CA PRO A 36 13.118 19.873 -6.911 1.00 0.00 C ATOM 558 C PRO A 36 12.783 19.211 -5.566 1.00 0.00 C ATOM 559 O PRO A 36 11.942 18.341 -5.487 1.00 0.00 O ATOM 560 CB PRO A 36 13.296 21.404 -6.763 1.00 0.00 C ATOM 561 CG PRO A 36 12.084 22.031 -7.393 1.00 0.00 C ATOM 562 CD PRO A 36 11.489 21.002 -8.360 1.00 0.00 C ATOM 0 HA PRO A 36 14.034 19.392 -7.253 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.379 21.686 -5.713 1.00 0.00 H new ATOM 0 HB3 PRO A 36 14.208 21.739 -7.256 1.00 0.00 H new ATOM 0 HG2 PRO A 36 11.355 22.309 -6.631 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.355 22.944 -7.923 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.399 21.027 -8.345 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.798 21.197 -9.387 1.00 0.00 H new ATOM 570 N HIS A 37 13.437 19.620 -4.517 1.00 0.00 N ATOM 571 CA HIS A 37 13.176 19.028 -3.171 1.00 0.00 C ATOM 572 C HIS A 37 11.676 19.065 -2.861 1.00 0.00 C ATOM 573 O HIS A 37 11.162 18.233 -2.143 1.00 0.00 O ATOM 574 CB HIS A 37 13.936 19.834 -2.117 1.00 0.00 C ATOM 575 CG HIS A 37 15.409 19.814 -2.426 1.00 0.00 C ATOM 576 ND1 HIS A 37 16.167 18.654 -2.365 1.00 0.00 N ATOM 577 CD2 HIS A 37 16.280 20.810 -2.801 1.00 0.00 C ATOM 578 CE1 HIS A 37 17.432 18.977 -2.693 1.00 0.00 C ATOM 579 NE2 HIS A 37 17.555 20.278 -2.967 1.00 0.00 N ATOM 0 H HIS A 37 14.151 20.348 -4.532 1.00 0.00 H new ATOM 0 HA HIS A 37 13.512 17.991 -3.160 1.00 0.00 H new ATOM 0 HB2 HIS A 37 13.572 20.861 -2.099 1.00 0.00 H new ATOM 0 HB3 HIS A 37 13.757 19.415 -1.127 1.00 0.00 H new ATOM 0 HD2 HIS A 37 16.015 21.847 -2.945 1.00 0.00 H new ATOM 0 HE1 HIS A 37 18.248 18.270 -2.730 1.00 0.00 H new ATOM 0 HE2 HIS A 37 18.403 20.776 -3.240 1.00 0.00 H new ATOM 587 N GLU A 38 10.969 20.019 -3.384 1.00 0.00 N ATOM 588 CA GLU A 38 9.514 20.083 -3.094 1.00 0.00 C ATOM 589 C GLU A 38 8.840 18.780 -3.529 1.00 0.00 C ATOM 590 O GLU A 38 7.678 18.566 -3.257 1.00 0.00 O ATOM 591 CB GLU A 38 8.878 21.264 -3.830 1.00 0.00 C ATOM 592 CG GLU A 38 8.876 20.995 -5.337 1.00 0.00 C ATOM 593 CD GLU A 38 8.573 22.296 -6.082 1.00 0.00 C ATOM 594 OE1 GLU A 38 8.228 23.267 -5.426 1.00 0.00 O ATOM 595 OE2 GLU A 38 8.695 22.300 -7.299 1.00 0.00 O ATOM 0 H GLU A 38 11.330 20.752 -3.995 1.00 0.00 H new ATOM 0 HA GLU A 38 9.376 20.220 -2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.858 21.418 -3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.431 22.179 -3.615 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.843 20.601 -5.649 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.129 20.240 -5.582 1.00 0.00 H new ATOM 602 N GLU A 39 9.544 17.910 -4.221 1.00 0.00 N ATOM 603 CA GLU A 39 8.898 16.648 -4.674 1.00 0.00 C ATOM 604 C GLU A 39 8.617 15.757 -3.465 1.00 0.00 C ATOM 605 O GLU A 39 7.619 15.075 -3.420 1.00 0.00 O ATOM 606 CB GLU A 39 9.811 15.921 -5.713 1.00 0.00 C ATOM 607 CG GLU A 39 10.710 14.836 -5.079 1.00 0.00 C ATOM 608 CD GLU A 39 11.633 15.450 -4.025 1.00 0.00 C ATOM 609 OE1 GLU A 39 11.560 16.648 -3.828 1.00 0.00 O ATOM 610 OE2 GLU A 39 12.403 14.707 -3.437 1.00 0.00 O ATOM 0 H GLU A 39 10.523 18.023 -4.485 1.00 0.00 H new ATOM 0 HA GLU A 39 7.951 16.876 -5.163 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.185 15.463 -6.479 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.440 16.658 -6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.091 14.064 -4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.305 14.351 -5.853 1.00 0.00 H new ATOM 617 N ARG A 40 9.474 15.740 -2.481 1.00 0.00 N ATOM 618 CA ARG A 40 9.177 14.856 -1.312 1.00 0.00 C ATOM 619 C ARG A 40 7.956 15.369 -0.535 1.00 0.00 C ATOM 620 O ARG A 40 7.014 14.640 -0.306 1.00 0.00 O ATOM 621 CB ARG A 40 10.394 14.759 -0.357 1.00 0.00 C ATOM 622 CG ARG A 40 11.228 16.029 -0.466 1.00 0.00 C ATOM 623 CD ARG A 40 12.353 16.016 0.570 1.00 0.00 C ATOM 624 NE ARG A 40 13.435 15.084 0.147 1.00 0.00 N ATOM 625 CZ ARG A 40 14.636 15.223 0.642 1.00 0.00 C ATOM 626 NH1 ARG A 40 14.874 16.173 1.511 1.00 0.00 N ATOM 627 NH2 ARG A 40 15.598 14.420 0.264 1.00 0.00 N ATOM 0 H ARG A 40 10.339 16.279 -2.431 1.00 0.00 H new ATOM 0 HA ARG A 40 8.960 13.862 -1.704 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.054 14.621 0.669 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.001 13.890 -0.611 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.648 16.111 -1.468 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.594 16.903 -0.314 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.757 17.021 0.691 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.960 15.711 1.540 1.00 0.00 H new ATOM 0 HE ARG A 40 13.240 14.342 -0.525 1.00 0.00 H new ATOM 0 HH11 ARG A 40 14.123 16.801 1.799 1.00 0.00 H new ATOM 0 HH12 ARG A 40 15.810 16.285 1.900 1.00 0.00 H new ATOM 0 HH21 ARG A 40 15.410 13.685 -0.418 1.00 0.00 H new ATOM 0 HH22 ARG A 40 16.535 14.529 0.651 1.00 0.00 H new ATOM 641 N GLN A 41 7.961 16.603 -0.118 1.00 0.00 N ATOM 642 CA GLN A 41 6.807 17.120 0.679 1.00 0.00 C ATOM 643 C GLN A 41 5.555 17.308 -0.183 1.00 0.00 C ATOM 644 O GLN A 41 4.463 16.959 0.217 1.00 0.00 O ATOM 645 CB GLN A 41 7.195 18.456 1.319 1.00 0.00 C ATOM 646 CG GLN A 41 7.655 19.427 0.228 1.00 0.00 C ATOM 647 CD GLN A 41 8.221 20.698 0.856 1.00 0.00 C ATOM 648 OE1 GLN A 41 8.940 20.650 1.837 1.00 0.00 O ATOM 649 NE2 GLN A 41 7.924 21.847 0.314 1.00 0.00 N ATOM 0 H GLN A 41 8.708 17.275 -0.291 1.00 0.00 H new ATOM 0 HA GLN A 41 6.571 16.384 1.448 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.345 18.874 1.859 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.992 18.305 2.047 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.413 18.952 -0.395 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.817 19.677 -0.423 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.321 21.883 -0.508 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.295 22.710 0.712 1.00 0.00 H new ATOM 658 N THR A 42 5.694 17.868 -1.344 1.00 0.00 N ATOM 659 CA THR A 42 4.509 18.092 -2.205 1.00 0.00 C ATOM 660 C THR A 42 3.852 16.769 -2.581 1.00 0.00 C ATOM 661 O THR A 42 2.644 16.670 -2.670 1.00 0.00 O ATOM 662 CB THR A 42 4.949 18.822 -3.469 1.00 0.00 C ATOM 663 OG1 THR A 42 5.716 19.962 -3.107 1.00 0.00 O ATOM 664 CG2 THR A 42 3.726 19.251 -4.278 1.00 0.00 C ATOM 0 H THR A 42 6.582 18.182 -1.736 1.00 0.00 H new ATOM 0 HA THR A 42 3.781 18.690 -1.657 1.00 0.00 H new ATOM 0 HB THR A 42 5.556 18.155 -4.081 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.661 19.712 -3.039 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.050 19.772 -5.179 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.147 18.371 -4.556 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.107 19.917 -3.677 1.00 0.00 H new ATOM 672 N ARG A 43 4.624 15.764 -2.848 1.00 0.00 N ATOM 673 CA ARG A 43 4.000 14.482 -3.247 1.00 0.00 C ATOM 674 C ARG A 43 3.117 13.938 -2.119 1.00 0.00 C ATOM 675 O ARG A 43 2.018 13.488 -2.355 1.00 0.00 O ATOM 676 CB ARG A 43 5.072 13.457 -3.628 1.00 0.00 C ATOM 677 CG ARG A 43 4.421 12.290 -4.374 1.00 0.00 C ATOM 678 CD ARG A 43 5.500 11.297 -4.805 1.00 0.00 C ATOM 679 NE ARG A 43 6.622 12.024 -5.508 1.00 0.00 N ATOM 680 CZ ARG A 43 6.416 12.784 -6.565 1.00 0.00 C ATOM 681 NH1 ARG A 43 5.247 12.809 -7.147 1.00 0.00 N ATOM 682 NH2 ARG A 43 7.412 13.463 -7.083 1.00 0.00 N ATOM 0 H ARG A 43 5.643 15.771 -2.809 1.00 0.00 H new ATOM 0 HA ARG A 43 3.372 14.665 -4.119 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.831 13.925 -4.255 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.577 13.094 -2.733 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.692 11.796 -3.732 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.881 12.658 -5.246 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.888 10.768 -3.934 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.071 10.546 -5.468 1.00 0.00 H new ATOM 0 HE ARG A 43 7.573 11.923 -5.152 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.484 12.237 -6.784 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.097 13.400 -7.964 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.342 13.402 -6.668 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.257 14.052 -7.901 1.00 0.00 H new ATOM 696 N PHE A 44 3.577 13.958 -0.892 1.00 0.00 N ATOM 697 CA PHE A 44 2.730 13.407 0.204 1.00 0.00 C ATOM 698 C PHE A 44 1.411 14.167 0.331 1.00 0.00 C ATOM 699 O PHE A 44 0.355 13.575 0.392 1.00 0.00 O ATOM 700 CB PHE A 44 3.480 13.494 1.532 1.00 0.00 C ATOM 701 CG PHE A 44 4.645 12.528 1.532 1.00 0.00 C ATOM 702 CD1 PHE A 44 4.423 11.149 1.421 1.00 0.00 C ATOM 703 CD2 PHE A 44 5.952 13.015 1.644 1.00 0.00 C ATOM 704 CE1 PHE A 44 5.506 10.261 1.421 1.00 0.00 C ATOM 705 CE2 PHE A 44 7.034 12.130 1.642 1.00 0.00 C ATOM 706 CZ PHE A 44 6.810 10.754 1.532 1.00 0.00 C ATOM 0 H PHE A 44 4.485 14.325 -0.608 1.00 0.00 H new ATOM 0 HA PHE A 44 2.510 12.368 -0.040 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.840 14.511 1.690 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.805 13.263 2.356 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.415 10.770 1.335 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.125 14.077 1.732 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.335 9.198 1.335 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.042 12.509 1.725 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.646 10.070 1.533 1.00 0.00 H new ATOM 716 N GLN A 45 1.455 15.469 0.392 1.00 0.00 N ATOM 717 CA GLN A 45 0.186 16.240 0.543 1.00 0.00 C ATOM 718 C GLN A 45 -0.690 16.121 -0.704 1.00 0.00 C ATOM 719 O GLN A 45 -1.847 15.759 -0.629 1.00 0.00 O ATOM 720 CB GLN A 45 0.505 17.716 0.815 1.00 0.00 C ATOM 721 CG GLN A 45 1.568 18.249 -0.177 1.00 0.00 C ATOM 722 CD GLN A 45 2.450 19.300 0.513 1.00 0.00 C ATOM 723 OE1 GLN A 45 2.199 20.485 0.412 1.00 0.00 O ATOM 724 NE2 GLN A 45 3.477 18.902 1.224 1.00 0.00 N ATOM 0 H GLN A 45 2.306 16.030 0.344 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.366 15.822 1.385 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.405 18.309 0.731 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.867 17.831 1.837 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.184 17.426 -0.539 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.078 18.687 -1.047 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.685 17.907 1.307 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.068 19.587 1.694 1.00 0.00 H new ATOM 733 N ASN A 46 -0.160 16.417 -1.853 1.00 0.00 N ATOM 734 CA ASN A 46 -0.994 16.310 -3.075 1.00 0.00 C ATOM 735 C ASN A 46 -1.408 14.854 -3.294 1.00 0.00 C ATOM 736 O ASN A 46 -2.444 14.575 -3.858 1.00 0.00 O ATOM 737 CB ASN A 46 -0.224 16.835 -4.304 1.00 0.00 C ATOM 738 CG ASN A 46 0.828 15.824 -4.772 1.00 0.00 C ATOM 739 OD1 ASN A 46 1.131 14.880 -4.080 1.00 0.00 O ATOM 740 ND2 ASN A 46 1.397 15.991 -5.940 1.00 0.00 N ATOM 0 H ASN A 46 0.802 16.724 -1.998 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.888 16.920 -2.944 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.923 17.038 -5.115 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.260 17.780 -4.057 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.096 15.324 -6.267 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.141 16.788 -6.523 1.00 0.00 H new ATOM 747 N ALA A 47 -0.617 13.912 -2.849 1.00 0.00 N ATOM 748 CA ALA A 47 -0.989 12.486 -3.072 1.00 0.00 C ATOM 749 C ALA A 47 -1.940 12.022 -1.975 1.00 0.00 C ATOM 750 O ALA A 47 -2.822 11.220 -2.211 1.00 0.00 O ATOM 751 CB ALA A 47 0.257 11.594 -3.075 1.00 0.00 C ATOM 0 H ALA A 47 0.258 14.066 -2.348 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.480 12.407 -4.042 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.038 10.558 -3.239 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.929 11.911 -3.872 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.767 11.678 -2.115 1.00 0.00 H new ATOM 757 N CYS A 48 -1.785 12.517 -0.784 1.00 0.00 N ATOM 758 CA CYS A 48 -2.708 12.089 0.285 1.00 0.00 C ATOM 759 C CYS A 48 -4.128 12.505 -0.105 1.00 0.00 C ATOM 760 O CYS A 48 -5.065 11.755 0.077 1.00 0.00 O ATOM 761 CB CYS A 48 -2.299 12.718 1.614 1.00 0.00 C ATOM 762 SG CYS A 48 -2.653 14.490 1.584 1.00 0.00 S ATOM 0 H CYS A 48 -1.069 13.190 -0.510 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.670 11.006 0.406 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.839 12.243 2.433 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.237 12.553 1.794 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.376 14.968 0.407 1.00 0.00 H new ATOM 768 N ARG A 49 -4.314 13.674 -0.683 1.00 0.00 N ATOM 769 CA ARG A 49 -5.702 14.041 -1.092 1.00 0.00 C ATOM 770 C ARG A 49 -6.179 13.011 -2.128 1.00 0.00 C ATOM 771 O ARG A 49 -7.295 12.531 -2.061 1.00 0.00 O ATOM 772 CB ARG A 49 -5.758 15.460 -1.666 1.00 0.00 C ATOM 773 CG ARG A 49 -4.619 15.668 -2.651 1.00 0.00 C ATOM 774 CD ARG A 49 -4.696 17.079 -3.240 1.00 0.00 C ATOM 775 NE ARG A 49 -3.798 17.163 -4.426 1.00 0.00 N ATOM 776 CZ ARG A 49 -3.938 18.122 -5.299 1.00 0.00 C ATOM 777 NH1 ARG A 49 -4.864 19.032 -5.144 1.00 0.00 N ATOM 778 NH2 ARG A 49 -3.146 18.163 -6.336 1.00 0.00 N ATOM 0 H ARG A 49 -3.590 14.364 -0.881 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.357 14.029 -0.221 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.714 15.622 -2.164 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.690 16.190 -0.860 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.662 15.525 -2.150 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.676 14.927 -3.449 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.721 17.311 -3.528 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.401 17.815 -2.492 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.067 16.464 -4.556 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.484 18.996 -4.335 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.966 19.778 -5.832 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.427 17.450 -6.457 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.246 18.908 -7.025 1.00 0.00 H new ATOM 792 N ASP A 50 -5.313 12.600 -3.034 1.00 0.00 N ATOM 793 CA ASP A 50 -5.693 11.525 -4.008 1.00 0.00 C ATOM 794 C ASP A 50 -5.104 10.230 -3.443 1.00 0.00 C ATOM 795 O ASP A 50 -4.014 9.814 -3.771 1.00 0.00 O ATOM 796 CB ASP A 50 -5.154 11.819 -5.425 1.00 0.00 C ATOM 797 CG ASP A 50 -3.656 12.095 -5.404 1.00 0.00 C ATOM 798 OD1 ASP A 50 -2.902 11.147 -5.289 1.00 0.00 O ATOM 799 OD2 ASP A 50 -3.290 13.247 -5.533 1.00 0.00 O ATOM 0 H ASP A 50 -4.365 12.963 -3.138 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.775 11.458 -4.119 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.360 10.971 -6.077 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.678 12.678 -5.844 1.00 0.00 H new ATOM 804 N GLY A 51 -5.815 9.629 -2.537 1.00 0.00 N ATOM 805 CA GLY A 51 -5.317 8.400 -1.858 1.00 0.00 C ATOM 806 C GLY A 51 -5.213 7.228 -2.829 1.00 0.00 C ATOM 807 O GLY A 51 -4.969 6.110 -2.423 1.00 0.00 O ATOM 0 H GLY A 51 -6.737 9.941 -2.231 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.339 8.597 -1.418 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.988 8.138 -1.040 1.00 0.00 H new ATOM 811 N ARG A 52 -5.349 7.457 -4.105 1.00 0.00 N ATOM 812 CA ARG A 52 -5.198 6.320 -5.058 1.00 0.00 C ATOM 813 C ARG A 52 -3.728 6.277 -5.466 1.00 0.00 C ATOM 814 O ARG A 52 -3.326 6.831 -6.467 1.00 0.00 O ATOM 815 CB ARG A 52 -6.089 6.545 -6.279 1.00 0.00 C ATOM 816 CG ARG A 52 -7.556 6.608 -5.837 1.00 0.00 C ATOM 817 CD ARG A 52 -8.466 6.792 -7.051 1.00 0.00 C ATOM 818 NE ARG A 52 -9.877 6.838 -6.568 1.00 0.00 N ATOM 819 CZ ARG A 52 -10.848 7.119 -7.384 1.00 0.00 C ATOM 820 NH1 ARG A 52 -10.594 7.350 -8.640 1.00 0.00 N ATOM 821 NH2 ARG A 52 -12.074 7.164 -6.940 1.00 0.00 N ATOM 0 H ARG A 52 -5.554 8.364 -4.525 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.496 5.377 -4.601 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.809 7.471 -6.781 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.949 5.738 -6.998 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.824 5.693 -5.308 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.698 7.433 -5.139 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.214 7.711 -7.580 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.331 5.972 -7.756 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.081 6.647 -5.587 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.634 7.310 -8.982 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.355 7.571 -9.282 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.267 6.979 -5.956 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.839 7.384 -7.577 1.00 0.00 H new ATOM 835 N SER A 53 -2.921 5.641 -4.655 1.00 0.00 N ATOM 836 CA SER A 53 -1.449 5.565 -4.925 1.00 0.00 C ATOM 837 C SER A 53 -1.070 4.299 -5.694 1.00 0.00 C ATOM 838 O SER A 53 -1.649 3.249 -5.505 1.00 0.00 O ATOM 839 CB SER A 53 -0.692 5.576 -3.596 1.00 0.00 C ATOM 840 OG SER A 53 0.696 5.382 -3.841 1.00 0.00 O ATOM 0 H SER A 53 -3.222 5.164 -3.805 1.00 0.00 H new ATOM 0 HA SER A 53 -1.181 6.427 -5.536 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.853 6.523 -3.081 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.071 4.790 -2.943 1.00 0.00 H new ATOM 0 HG SER A 53 1.211 6.063 -3.361 1.00 0.00 H new ATOM 846 N GLU A 54 -0.050 4.388 -6.515 1.00 0.00 N ATOM 847 CA GLU A 54 0.450 3.194 -7.258 1.00 0.00 C ATOM 848 C GLU A 54 1.928 3.061 -6.884 1.00 0.00 C ATOM 849 O GLU A 54 2.650 4.036 -6.849 1.00 0.00 O ATOM 850 CB GLU A 54 0.291 3.402 -8.771 1.00 0.00 C ATOM 851 CG GLU A 54 -1.192 3.615 -9.096 1.00 0.00 C ATOM 852 CD GLU A 54 -1.391 3.736 -10.611 1.00 0.00 C ATOM 853 OE1 GLU A 54 -1.072 2.789 -11.313 1.00 0.00 O ATOM 854 OE2 GLU A 54 -1.863 4.775 -11.043 1.00 0.00 O ATOM 0 H GLU A 54 0.462 5.250 -6.702 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.109 2.294 -7.000 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.874 4.264 -9.095 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.674 2.536 -9.312 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.779 2.782 -8.710 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.554 4.516 -8.601 1.00 0.00 H new ATOM 861 N ILE A 55 2.383 1.884 -6.570 1.00 0.00 N ATOM 862 CA ILE A 55 3.808 1.717 -6.160 1.00 0.00 C ATOM 863 C ILE A 55 4.275 0.328 -6.570 1.00 0.00 C ATOM 864 O ILE A 55 3.473 -0.543 -6.841 1.00 0.00 O ATOM 865 CB ILE A 55 3.901 1.928 -4.639 1.00 0.00 C ATOM 866 CG1 ILE A 55 5.165 1.274 -4.059 1.00 0.00 C ATOM 867 CG2 ILE A 55 2.661 1.346 -3.949 1.00 0.00 C ATOM 868 CD1 ILE A 55 5.507 1.892 -2.689 1.00 0.00 C ATOM 0 H ILE A 55 1.831 1.026 -6.578 1.00 0.00 H new ATOM 0 HA ILE A 55 4.454 2.447 -6.649 1.00 0.00 H new ATOM 0 HB ILE A 55 3.954 3.001 -4.455 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.011 0.200 -3.953 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.001 1.410 -4.746 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.737 1.501 -2.873 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.768 1.845 -4.325 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.596 0.278 -4.158 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.404 1.419 -2.290 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.682 2.962 -2.806 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.677 1.733 -2.001 1.00 0.00 H new ATOM 880 N ALA A 56 5.565 0.117 -6.654 1.00 0.00 N ATOM 881 CA ALA A 56 6.059 -1.236 -7.091 1.00 0.00 C ATOM 882 C ALA A 56 7.310 -1.666 -6.331 1.00 0.00 C ATOM 883 O ALA A 56 7.972 -0.881 -5.678 1.00 0.00 O ATOM 884 CB ALA A 56 6.391 -1.184 -8.580 1.00 0.00 C ATOM 0 H ALA A 56 6.289 0.804 -6.445 1.00 0.00 H new ATOM 0 HA ALA A 56 5.271 -1.960 -6.883 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.750 -2.160 -8.907 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.496 -0.919 -9.143 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.164 -0.436 -8.754 1.00 0.00 H new ATOM 890 N PHE A 57 7.640 -2.930 -6.445 1.00 0.00 N ATOM 891 CA PHE A 57 8.854 -3.469 -5.767 1.00 0.00 C ATOM 892 C PHE A 57 10.079 -3.224 -6.660 1.00 0.00 C ATOM 893 O PHE A 57 10.072 -3.551 -7.824 1.00 0.00 O ATOM 894 CB PHE A 57 8.705 -4.986 -5.586 1.00 0.00 C ATOM 895 CG PHE A 57 7.676 -5.297 -4.520 1.00 0.00 C ATOM 896 CD1 PHE A 57 7.963 -5.035 -3.179 1.00 0.00 C ATOM 897 CD2 PHE A 57 6.442 -5.857 -4.875 1.00 0.00 C ATOM 898 CE1 PHE A 57 7.018 -5.328 -2.186 1.00 0.00 C ATOM 899 CE2 PHE A 57 5.495 -6.150 -3.883 1.00 0.00 C ATOM 900 CZ PHE A 57 5.784 -5.884 -2.541 1.00 0.00 C ATOM 0 H PHE A 57 7.112 -3.616 -6.985 1.00 0.00 H new ATOM 0 HA PHE A 57 8.973 -2.978 -4.801 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.408 -5.443 -6.530 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.666 -5.421 -5.310 1.00 0.00 H new ATOM 0 HD1 PHE A 57 8.916 -4.605 -2.906 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.220 -6.063 -5.912 1.00 0.00 H new ATOM 0 HE1 PHE A 57 7.242 -5.125 -1.149 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.543 -6.581 -4.155 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.054 -6.108 -1.777 1.00 0.00 H new ATOM 910 N VAL A 58 11.129 -2.651 -6.136 1.00 0.00 N ATOM 911 CA VAL A 58 12.339 -2.425 -6.984 1.00 0.00 C ATOM 912 C VAL A 58 12.865 -3.771 -7.516 1.00 0.00 C ATOM 913 O VAL A 58 13.261 -3.890 -8.658 1.00 0.00 O ATOM 914 CB VAL A 58 13.427 -1.740 -6.142 1.00 0.00 C ATOM 915 CG1 VAL A 58 14.716 -1.609 -6.958 1.00 0.00 C ATOM 916 CG2 VAL A 58 12.955 -0.345 -5.702 1.00 0.00 C ATOM 0 H VAL A 58 11.204 -2.332 -5.170 1.00 0.00 H new ATOM 0 HA VAL A 58 12.076 -1.789 -7.829 1.00 0.00 H new ATOM 0 HB VAL A 58 13.620 -2.349 -5.259 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.481 -1.122 -6.353 1.00 0.00 H new ATOM 0 HG12 VAL A 58 15.062 -2.600 -7.253 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.523 -1.012 -7.849 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.734 0.131 -5.106 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.748 0.264 -6.582 1.00 0.00 H new ATOM 0 HG23 VAL A 58 12.048 -0.439 -5.105 1.00 0.00 H new ATOM 926 N ALA A 59 12.898 -4.778 -6.678 1.00 0.00 N ATOM 927 CA ALA A 59 13.416 -6.120 -7.102 1.00 0.00 C ATOM 928 C ALA A 59 12.614 -6.716 -8.259 1.00 0.00 C ATOM 929 O ALA A 59 13.168 -7.328 -9.156 1.00 0.00 O ATOM 930 CB ALA A 59 13.334 -7.077 -5.915 1.00 0.00 C ATOM 0 H ALA A 59 12.585 -4.729 -5.708 1.00 0.00 H new ATOM 0 HA ALA A 59 14.444 -5.985 -7.439 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.708 -8.057 -6.211 1.00 0.00 H new ATOM 0 HB2 ALA A 59 13.938 -6.691 -5.094 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.297 -7.167 -5.591 1.00 0.00 H new ATOM 936 N THR A 60 11.316 -6.577 -8.229 1.00 0.00 N ATOM 937 CA THR A 60 10.461 -7.163 -9.307 1.00 0.00 C ATOM 938 C THR A 60 9.603 -6.076 -9.951 1.00 0.00 C ATOM 939 O THR A 60 9.200 -5.121 -9.319 1.00 0.00 O ATOM 940 CB THR A 60 9.579 -8.259 -8.698 1.00 0.00 C ATOM 941 OG1 THR A 60 10.398 -9.156 -7.956 1.00 0.00 O ATOM 942 CG2 THR A 60 8.882 -9.030 -9.815 1.00 0.00 C ATOM 0 H THR A 60 10.806 -6.079 -7.499 1.00 0.00 H new ATOM 0 HA THR A 60 11.091 -7.596 -10.083 1.00 0.00 H new ATOM 0 HB THR A 60 8.833 -7.807 -8.044 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.197 -10.078 -8.221 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.255 -9.809 -9.383 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.263 -8.347 -10.397 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.630 -9.485 -10.465 1.00 0.00 H new ATOM 950 N GLY A 61 9.334 -6.224 -11.215 1.00 0.00 N ATOM 951 CA GLY A 61 8.512 -5.219 -11.943 1.00 0.00 C ATOM 952 C GLY A 61 7.052 -5.358 -11.517 1.00 0.00 C ATOM 953 O GLY A 61 6.166 -4.766 -12.103 1.00 0.00 O ATOM 0 H GLY A 61 9.652 -7.009 -11.783 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.872 -4.213 -11.727 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.605 -5.367 -13.019 1.00 0.00 H new ATOM 957 N THR A 62 6.791 -6.131 -10.496 1.00 0.00 N ATOM 958 CA THR A 62 5.385 -6.296 -10.033 1.00 0.00 C ATOM 959 C THR A 62 4.914 -4.986 -9.411 1.00 0.00 C ATOM 960 O THR A 62 5.602 -4.389 -8.606 1.00 0.00 O ATOM 961 CB THR A 62 5.298 -7.419 -8.989 1.00 0.00 C ATOM 962 OG1 THR A 62 5.587 -8.664 -9.610 1.00 0.00 O ATOM 963 CG2 THR A 62 3.885 -7.460 -8.391 1.00 0.00 C ATOM 0 H THR A 62 7.489 -6.653 -9.965 1.00 0.00 H new ATOM 0 HA THR A 62 4.753 -6.557 -10.882 1.00 0.00 H new ATOM 0 HB THR A 62 6.020 -7.231 -8.194 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.534 -9.382 -8.945 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.826 -8.258 -7.651 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.664 -6.505 -7.914 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.160 -7.646 -9.183 1.00 0.00 H new ATOM 971 N ASN A 63 3.745 -4.529 -9.793 1.00 0.00 N ATOM 972 CA ASN A 63 3.205 -3.244 -9.244 1.00 0.00 C ATOM 973 C ASN A 63 1.872 -3.506 -8.526 1.00 0.00 C ATOM 974 O ASN A 63 1.001 -4.178 -9.046 1.00 0.00 O ATOM 975 CB ASN A 63 2.961 -2.277 -10.410 1.00 0.00 C ATOM 976 CG ASN A 63 1.886 -2.854 -11.335 1.00 0.00 C ATOM 977 OD1 ASN A 63 2.187 -3.378 -12.387 1.00 0.00 O ATOM 978 ND2 ASN A 63 0.633 -2.779 -10.977 1.00 0.00 N ATOM 0 H ASN A 63 3.137 -4.995 -10.467 1.00 0.00 H new ATOM 0 HA ASN A 63 3.918 -2.818 -8.538 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.646 -1.305 -10.031 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.886 -2.118 -10.964 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -0.094 -3.161 -11.582 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.381 -2.338 -10.092 1.00 0.00 H new ATOM 985 N LEU A 64 1.699 -2.959 -7.345 1.00 0.00 N ATOM 986 CA LEU A 64 0.412 -3.149 -6.592 1.00 0.00 C ATOM 987 C LEU A 64 -0.353 -1.811 -6.576 1.00 0.00 C ATOM 988 O LEU A 64 0.183 -0.793 -6.179 1.00 0.00 O ATOM 989 CB LEU A 64 0.720 -3.545 -5.129 1.00 0.00 C ATOM 990 CG LEU A 64 1.084 -5.040 -4.991 1.00 0.00 C ATOM 991 CD1 LEU A 64 -0.150 -5.926 -5.245 1.00 0.00 C ATOM 992 CD2 LEU A 64 2.206 -5.413 -5.970 1.00 0.00 C ATOM 0 H LEU A 64 2.395 -2.387 -6.867 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.178 -3.929 -7.073 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.544 -2.937 -4.756 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.146 -3.325 -4.505 1.00 0.00 H new ATOM 0 HG LEU A 64 1.433 -5.211 -3.973 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.128 -6.975 -5.143 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.927 -5.684 -4.520 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.526 -5.747 -6.252 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.449 -6.470 -5.859 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.876 -5.222 -6.991 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.090 -4.813 -5.756 1.00 0.00 H new ATOM 1004 N SER A 65 -1.610 -1.806 -6.957 1.00 0.00 N ATOM 1005 CA SER A 65 -2.411 -0.538 -6.905 1.00 0.00 C ATOM 1006 C SER A 65 -3.247 -0.584 -5.629 1.00 0.00 C ATOM 1007 O SER A 65 -3.789 -1.613 -5.287 1.00 0.00 O ATOM 1008 CB SER A 65 -3.345 -0.444 -8.114 1.00 0.00 C ATOM 1009 OG SER A 65 -4.231 -1.558 -8.120 1.00 0.00 O ATOM 0 H SER A 65 -2.115 -2.623 -7.301 1.00 0.00 H new ATOM 0 HA SER A 65 -1.748 0.327 -6.917 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.913 0.485 -8.076 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.763 -0.424 -9.035 1.00 0.00 H new ATOM 0 HG SER A 65 -4.830 -1.496 -8.893 1.00 0.00 H new ATOM 1015 N LEU A 66 -3.355 0.500 -4.904 1.00 0.00 N ATOM 1016 CA LEU A 66 -4.151 0.460 -3.640 1.00 0.00 C ATOM 1017 C LEU A 66 -4.819 1.813 -3.385 1.00 0.00 C ATOM 1018 O LEU A 66 -4.461 2.827 -3.958 1.00 0.00 O ATOM 1019 CB LEU A 66 -3.241 0.065 -2.444 1.00 0.00 C ATOM 1020 CG LEU A 66 -1.772 0.489 -2.678 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -1.602 1.980 -2.393 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -0.862 -0.304 -1.734 1.00 0.00 C ATOM 0 H LEU A 66 -2.932 1.401 -5.128 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.933 -0.293 -3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.614 0.533 -1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.289 -1.013 -2.291 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.506 0.288 -3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.564 2.267 -2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.249 2.553 -3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.872 2.186 -1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.175 -0.009 -1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.142 -0.098 -0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.971 -1.370 -1.934 1.00 0.00 H new ATOM 1034 N GLN A 67 -5.808 1.823 -2.520 1.00 0.00 N ATOM 1035 CA GLN A 67 -6.536 3.085 -2.209 1.00 0.00 C ATOM 1036 C GLN A 67 -6.915 3.088 -0.726 1.00 0.00 C ATOM 1037 O GLN A 67 -7.717 2.287 -0.284 1.00 0.00 O ATOM 1038 CB GLN A 67 -7.823 3.141 -3.033 1.00 0.00 C ATOM 1039 CG GLN A 67 -7.519 2.886 -4.511 1.00 0.00 C ATOM 1040 CD GLN A 67 -8.818 2.955 -5.308 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -9.875 2.669 -4.785 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -8.786 3.317 -6.560 1.00 0.00 N ATOM 0 H GLN A 67 -6.140 1.001 -2.015 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.901 3.940 -2.443 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.530 2.397 -2.667 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.296 4.116 -2.915 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.811 3.627 -4.882 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.053 1.909 -4.636 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.897 3.557 -6.999 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.650 3.360 -7.101 1.00 0.00 H new ATOM 1051 N PHE A 68 -6.344 3.973 0.049 1.00 0.00 N ATOM 1052 CA PHE A 68 -6.679 4.019 1.510 1.00 0.00 C ATOM 1053 C PHE A 68 -7.858 4.976 1.780 1.00 0.00 C ATOM 1054 O PHE A 68 -8.975 4.549 2.007 1.00 0.00 O ATOM 1055 CB PHE A 68 -5.432 4.448 2.313 1.00 0.00 C ATOM 1056 CG PHE A 68 -4.557 5.342 1.469 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -3.763 4.782 0.469 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -4.535 6.722 1.693 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -2.943 5.603 -0.312 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -3.714 7.542 0.914 1.00 0.00 C ATOM 1061 CZ PHE A 68 -2.918 6.982 -0.089 1.00 0.00 C ATOM 0 H PHE A 68 -5.662 4.665 -0.262 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.985 3.023 1.830 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.735 4.973 3.219 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.871 3.568 2.627 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.781 3.716 0.298 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.152 7.154 2.467 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.329 5.171 -1.088 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.695 8.608 1.087 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.284 7.615 -0.692 1.00 0.00 H new ATOM 1071 N PHE A 69 -7.609 6.264 1.776 1.00 0.00 N ATOM 1072 CA PHE A 69 -8.699 7.259 2.051 1.00 0.00 C ATOM 1073 C PHE A 69 -8.500 8.508 1.173 1.00 0.00 C ATOM 1074 O PHE A 69 -7.954 9.497 1.615 1.00 0.00 O ATOM 1075 CB PHE A 69 -8.640 7.658 3.536 1.00 0.00 C ATOM 1076 CG PHE A 69 -9.730 8.664 3.850 1.00 0.00 C ATOM 1077 CD1 PHE A 69 -11.073 8.295 3.718 1.00 0.00 C ATOM 1078 CD2 PHE A 69 -9.400 9.963 4.276 1.00 0.00 C ATOM 1079 CE1 PHE A 69 -12.086 9.217 4.008 1.00 0.00 C ATOM 1080 CE2 PHE A 69 -10.416 10.884 4.566 1.00 0.00 C ATOM 1081 CZ PHE A 69 -11.760 10.511 4.430 1.00 0.00 C ATOM 0 H PHE A 69 -6.693 6.673 1.593 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.668 6.817 1.821 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.759 6.774 4.163 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.664 8.084 3.767 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.329 7.298 3.392 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.364 10.251 4.380 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.122 8.929 3.906 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.163 11.881 4.894 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.543 11.221 4.651 1.00 0.00 H new ATOM 1091 N PRO A 70 -8.933 8.455 -0.068 1.00 0.00 N ATOM 1092 CA PRO A 70 -8.796 9.592 -1.032 1.00 0.00 C ATOM 1093 C PRO A 70 -9.965 10.585 -0.928 1.00 0.00 C ATOM 1094 O PRO A 70 -11.114 10.191 -0.856 1.00 0.00 O ATOM 1095 CB PRO A 70 -8.807 8.865 -2.378 1.00 0.00 C ATOM 1096 CG PRO A 70 -9.750 7.724 -2.172 1.00 0.00 C ATOM 1097 CD PRO A 70 -9.599 7.303 -0.701 1.00 0.00 C ATOM 0 HA PRO A 70 -7.908 10.200 -0.858 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -9.144 9.520 -3.181 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.811 8.514 -2.649 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.776 8.023 -2.388 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.512 6.896 -2.840 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.567 7.100 -0.242 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.004 6.395 -0.605 1.00 0.00 H new ATOM 1105 N ALA A 71 -9.696 11.871 -0.902 1.00 0.00 N ATOM 1106 CA ALA A 71 -10.819 12.845 -0.785 1.00 0.00 C ATOM 1107 C ALA A 71 -11.814 12.584 -1.911 1.00 0.00 C ATOM 1108 O ALA A 71 -12.989 12.383 -1.678 1.00 0.00 O ATOM 1109 CB ALA A 71 -10.270 14.277 -0.899 1.00 0.00 C ATOM 0 H ALA A 71 -8.763 12.279 -0.956 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.314 12.729 0.179 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.091 14.989 -0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.550 14.455 -0.100 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.779 14.403 -1.864 1.00 0.00 H new ATOM 1115 N SER A 72 -11.336 12.544 -3.125 1.00 0.00 N ATOM 1116 CA SER A 72 -12.224 12.261 -4.288 1.00 0.00 C ATOM 1117 C SER A 72 -11.371 12.210 -5.558 1.00 0.00 C ATOM 1118 O SER A 72 -10.224 12.618 -5.566 1.00 0.00 O ATOM 1119 CB SER A 72 -13.293 13.351 -4.427 1.00 0.00 C ATOM 1120 OG SER A 72 -14.352 12.865 -5.240 1.00 0.00 O ATOM 0 H SER A 72 -10.356 12.697 -3.363 1.00 0.00 H new ATOM 0 HA SER A 72 -12.726 11.306 -4.134 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.672 13.633 -3.445 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.860 14.248 -4.871 1.00 0.00 H new ATOM 0 HG SER A 72 -15.039 13.558 -5.331 1.00 0.00 H new ATOM 1261 N PRO A 81 -7.124 17.100 2.778 1.00 0.00 N ATOM 1262 CA PRO A 81 -6.227 15.918 2.614 1.00 0.00 C ATOM 1263 C PRO A 81 -6.641 14.767 3.547 1.00 0.00 C ATOM 1264 O PRO A 81 -7.591 14.882 4.292 1.00 0.00 O ATOM 1265 CB PRO A 81 -4.874 16.478 3.043 1.00 0.00 C ATOM 1266 CG PRO A 81 -5.224 17.401 4.160 1.00 0.00 C ATOM 1267 CD PRO A 81 -6.559 18.050 3.760 1.00 0.00 C ATOM 0 HA PRO A 81 -6.244 15.503 1.606 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.197 15.689 3.370 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.379 17.004 2.227 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -5.319 16.859 5.101 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.449 18.155 4.303 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.217 18.177 4.620 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.410 19.038 3.323 1.00 0.00 H new ATOM 1275 N SER A 82 -5.923 13.672 3.534 1.00 0.00 N ATOM 1276 CA SER A 82 -6.269 12.538 4.454 1.00 0.00 C ATOM 1277 C SER A 82 -5.564 12.770 5.796 1.00 0.00 C ATOM 1278 O SER A 82 -4.356 12.720 5.890 1.00 0.00 O ATOM 1279 CB SER A 82 -5.789 11.212 3.851 1.00 0.00 C ATOM 1280 OG SER A 82 -5.799 10.206 4.857 1.00 0.00 O ATOM 0 H SER A 82 -5.116 13.512 2.931 1.00 0.00 H new ATOM 0 HA SER A 82 -7.349 12.492 4.595 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.435 10.921 3.023 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.784 11.327 3.445 1.00 0.00 H new ATOM 0 HG SER A 82 -5.494 9.357 4.474 1.00 0.00 H new ATOM 1286 N ARG A 83 -6.315 13.042 6.832 1.00 0.00 N ATOM 1287 CA ARG A 83 -5.698 13.286 8.171 1.00 0.00 C ATOM 1288 C ARG A 83 -4.916 12.060 8.627 1.00 0.00 C ATOM 1289 O ARG A 83 -3.916 12.164 9.310 1.00 0.00 O ATOM 1290 CB ARG A 83 -6.794 13.607 9.178 1.00 0.00 C ATOM 1291 CG ARG A 83 -6.169 13.994 10.530 1.00 0.00 C ATOM 1292 CD ARG A 83 -7.293 14.337 11.511 1.00 0.00 C ATOM 1293 NE ARG A 83 -6.747 15.024 12.738 1.00 0.00 N ATOM 1294 CZ ARG A 83 -5.832 14.483 13.506 1.00 0.00 C ATOM 1295 NH1 ARG A 83 -5.432 13.253 13.314 1.00 0.00 N ATOM 1296 NH2 ARG A 83 -5.349 15.171 14.511 1.00 0.00 N ATOM 0 H ARG A 83 -7.333 13.106 6.808 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.009 14.128 8.099 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.413 14.424 8.807 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.448 12.744 9.304 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.568 13.172 10.917 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.501 14.847 10.407 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.023 14.983 11.022 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.817 13.427 11.802 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.104 15.948 12.980 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.833 12.699 12.557 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.719 12.848 13.921 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.685 16.117 14.689 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.637 14.760 15.115 1.00 0.00 H new ATOM 1310 N GLU A 84 -5.363 10.898 8.258 1.00 0.00 N ATOM 1311 CA GLU A 84 -4.644 9.664 8.675 1.00 0.00 C ATOM 1312 C GLU A 84 -3.212 9.715 8.144 1.00 0.00 C ATOM 1313 O GLU A 84 -2.298 9.199 8.746 1.00 0.00 O ATOM 1314 CB GLU A 84 -5.360 8.438 8.105 1.00 0.00 C ATOM 1315 CG GLU A 84 -6.794 8.374 8.641 1.00 0.00 C ATOM 1316 CD GLU A 84 -6.777 8.188 10.164 1.00 0.00 C ATOM 1317 OE1 GLU A 84 -6.659 9.183 10.866 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -6.900 7.053 10.603 1.00 0.00 O ATOM 0 H GLU A 84 -6.194 10.747 7.686 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.629 9.597 9.763 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.372 8.487 7.016 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.820 7.531 8.378 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.328 9.289 8.384 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.330 7.549 8.172 1.00 0.00 H new ATOM 1325 N TYR A 85 -3.019 10.321 7.011 1.00 0.00 N ATOM 1326 CA TYR A 85 -1.649 10.393 6.425 1.00 0.00 C ATOM 1327 C TYR A 85 -0.708 11.230 7.316 1.00 0.00 C ATOM 1328 O TYR A 85 0.437 10.871 7.525 1.00 0.00 O ATOM 1329 CB TYR A 85 -1.781 10.968 4.984 1.00 0.00 C ATOM 1330 CG TYR A 85 -0.816 12.110 4.709 1.00 0.00 C ATOM 1331 CD1 TYR A 85 0.561 11.902 4.826 1.00 0.00 C ATOM 1332 CD2 TYR A 85 -1.300 13.364 4.296 1.00 0.00 C ATOM 1333 CE1 TYR A 85 1.458 12.940 4.529 1.00 0.00 C ATOM 1334 CE2 TYR A 85 -0.408 14.402 4.006 1.00 0.00 C ATOM 1335 CZ TYR A 85 0.971 14.190 4.119 1.00 0.00 C ATOM 1336 OH TYR A 85 1.850 15.212 3.825 1.00 0.00 O ATOM 0 H TYR A 85 -3.750 10.772 6.461 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.198 9.402 6.373 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.605 10.170 4.263 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.802 11.317 4.830 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.936 10.941 5.146 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.364 13.526 4.202 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.522 12.776 4.616 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.783 15.366 3.695 1.00 0.00 H new ATOM 0 HH TYR A 85 1.347 16.009 3.556 1.00 0.00 H new ATOM 1346 N VAL A 86 -1.159 12.334 7.842 1.00 0.00 N ATOM 1347 CA VAL A 86 -0.259 13.175 8.696 1.00 0.00 C ATOM 1348 C VAL A 86 -0.343 12.758 10.163 1.00 0.00 C ATOM 1349 O VAL A 86 0.312 13.329 11.011 1.00 0.00 O ATOM 1350 CB VAL A 86 -0.641 14.647 8.521 1.00 0.00 C ATOM 1351 CG1 VAL A 86 0.460 15.557 9.074 1.00 0.00 C ATOM 1352 CG2 VAL A 86 -0.794 14.934 7.032 1.00 0.00 C ATOM 0 H VAL A 86 -2.106 12.693 7.722 1.00 0.00 H new ATOM 0 HA VAL A 86 0.774 13.029 8.381 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.570 14.839 9.058 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.171 16.600 8.941 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.602 15.352 10.135 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.391 15.367 8.540 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.066 15.980 6.889 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.149 14.732 6.524 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.574 14.296 6.617 1.00 0.00 H new ATOM 1362 N ASP A 87 -1.102 11.740 10.472 1.00 0.00 N ATOM 1363 CA ASP A 87 -1.165 11.279 11.897 1.00 0.00 C ATOM 1364 C ASP A 87 -0.133 10.173 12.060 1.00 0.00 C ATOM 1365 O ASP A 87 0.085 9.664 13.142 1.00 0.00 O ATOM 1366 CB ASP A 87 -2.576 10.763 12.273 1.00 0.00 C ATOM 1367 CG ASP A 87 -2.849 9.361 11.706 1.00 0.00 C ATOM 1368 OD1 ASP A 87 -2.003 8.837 11.006 1.00 0.00 O ATOM 1369 OD2 ASP A 87 -3.916 8.835 11.987 1.00 0.00 O ATOM 0 H ASP A 87 -1.674 11.212 9.813 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.953 12.115 12.564 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.676 10.740 13.358 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.327 11.458 11.898 1.00 0.00 H new ATOM 1374 N LEU A 88 0.540 9.830 10.980 1.00 0.00 N ATOM 1375 CA LEU A 88 1.604 8.781 11.047 1.00 0.00 C ATOM 1376 C LEU A 88 2.897 9.400 10.547 1.00 0.00 C ATOM 1377 O LEU A 88 3.971 8.861 10.726 1.00 0.00 O ATOM 1378 CB LEU A 88 1.234 7.543 10.211 1.00 0.00 C ATOM 1379 CG LEU A 88 0.636 7.932 8.840 1.00 0.00 C ATOM 1380 CD1 LEU A 88 1.757 8.261 7.844 1.00 0.00 C ATOM 1381 CD2 LEU A 88 -0.185 6.756 8.287 1.00 0.00 C ATOM 0 H LEU A 88 0.394 10.235 10.055 1.00 0.00 H new ATOM 0 HA LEU A 88 1.716 8.439 12.076 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.122 6.929 10.059 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.516 6.935 10.761 1.00 0.00 H new ATOM 0 HG LEU A 88 0.000 8.807 8.972 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.321 8.533 6.883 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.348 9.095 8.224 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.399 7.389 7.718 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.607 7.030 7.320 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.460 5.886 8.168 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.991 6.517 8.980 1.00 0.00 H new ATOM 1393 N GLU A 89 2.806 10.562 9.969 1.00 0.00 N ATOM 1394 CA GLU A 89 4.033 11.246 9.510 1.00 0.00 C ATOM 1395 C GLU A 89 4.695 11.819 10.757 1.00 0.00 C ATOM 1396 O GLU A 89 5.897 11.778 10.927 1.00 0.00 O ATOM 1397 CB GLU A 89 3.654 12.389 8.572 1.00 0.00 C ATOM 1398 CG GLU A 89 4.929 13.010 8.006 1.00 0.00 C ATOM 1399 CD GLU A 89 4.590 14.302 7.271 1.00 0.00 C ATOM 1400 OE1 GLU A 89 3.935 14.227 6.249 1.00 0.00 O ATOM 1401 OE2 GLU A 89 4.999 15.349 7.742 1.00 0.00 O ATOM 0 H GLU A 89 1.935 11.064 9.797 1.00 0.00 H new ATOM 0 HA GLU A 89 4.697 10.563 8.980 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.024 12.019 7.763 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.075 13.141 9.109 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.634 13.213 8.812 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.415 12.310 7.326 1.00 0.00 H new ATOM 1408 N ARG A 90 3.882 12.333 11.634 1.00 0.00 N ATOM 1409 CA ARG A 90 4.377 12.906 12.910 1.00 0.00 C ATOM 1410 C ARG A 90 4.960 11.795 13.776 1.00 0.00 C ATOM 1411 O ARG A 90 5.816 12.024 14.606 1.00 0.00 O ATOM 1412 CB ARG A 90 3.222 13.572 13.658 1.00 0.00 C ATOM 1413 CG ARG A 90 3.785 14.323 14.864 1.00 0.00 C ATOM 1414 CD ARG A 90 2.642 14.955 15.660 1.00 0.00 C ATOM 1415 NE ARG A 90 3.200 15.794 16.780 1.00 0.00 N ATOM 1416 CZ ARG A 90 4.001 15.292 17.689 1.00 0.00 C ATOM 1417 NH1 ARG A 90 4.207 14.005 17.757 1.00 0.00 N ATOM 1418 NH2 ARG A 90 4.561 16.079 18.570 1.00 0.00 N ATOM 0 H ARG A 90 2.870 12.380 11.515 1.00 0.00 H new ATOM 0 HA ARG A 90 5.147 13.646 12.695 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.692 14.260 12.999 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.501 12.822 13.983 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.348 13.639 15.499 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.479 15.095 14.532 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.027 15.571 15.004 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.995 14.177 16.065 1.00 0.00 H new ATOM 0 HE ARG A 90 2.948 16.781 16.833 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.743 13.379 17.099 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.832 13.625 18.468 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.375 17.082 18.550 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.184 15.690 19.278 1.00 0.00 H new ATOM 1432 N GLU A 91 4.466 10.598 13.627 1.00 0.00 N ATOM 1433 CA GLU A 91 4.964 9.485 14.483 1.00 0.00 C ATOM 1434 C GLU A 91 6.364 9.023 14.046 1.00 0.00 C ATOM 1435 O GLU A 91 7.358 9.563 14.480 1.00 0.00 O ATOM 1436 CB GLU A 91 3.984 8.307 14.417 1.00 0.00 C ATOM 1437 CG GLU A 91 4.454 7.184 15.349 1.00 0.00 C ATOM 1438 CD GLU A 91 3.481 6.017 15.239 1.00 0.00 C ATOM 1439 OE1 GLU A 91 3.211 5.603 14.126 1.00 0.00 O ATOM 1440 OE2 GLU A 91 3.028 5.549 16.268 1.00 0.00 O ATOM 0 H GLU A 91 3.743 10.343 12.954 1.00 0.00 H new ATOM 0 HA GLU A 91 5.035 9.850 15.508 1.00 0.00 H new ATOM 0 HB2 GLU A 91 2.986 8.637 14.705 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.915 7.937 13.394 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.460 6.864 15.077 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.500 7.541 16.378 1.00 0.00 H new ATOM 1447 N ALA A 92 6.451 8.004 13.227 1.00 0.00 N ATOM 1448 CA ALA A 92 7.793 7.480 12.807 1.00 0.00 C ATOM 1449 C ALA A 92 8.611 8.556 12.101 1.00 0.00 C ATOM 1450 O ALA A 92 9.794 8.391 11.876 1.00 0.00 O ATOM 1451 CB ALA A 92 7.627 6.297 11.841 1.00 0.00 C ATOM 0 H ALA A 92 5.652 7.510 12.830 1.00 0.00 H new ATOM 0 HA ALA A 92 8.312 7.163 13.711 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.609 5.928 11.545 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.073 5.499 12.335 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.081 6.624 10.956 1.00 0.00 H new ATOM 1457 N GLY A 93 7.993 9.621 11.692 1.00 0.00 N ATOM 1458 CA GLY A 93 8.745 10.656 10.938 1.00 0.00 C ATOM 1459 C GLY A 93 8.765 10.181 9.494 1.00 0.00 C ATOM 1460 O GLY A 93 9.495 10.673 8.658 1.00 0.00 O ATOM 0 H GLY A 93 7.005 9.821 11.845 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.263 11.630 11.023 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.757 10.766 11.328 1.00 0.00 H new ATOM 1464 N LYS A 94 7.941 9.200 9.212 1.00 0.00 N ATOM 1465 CA LYS A 94 7.856 8.633 7.835 1.00 0.00 C ATOM 1466 C LYS A 94 6.390 8.553 7.433 1.00 0.00 C ATOM 1467 O LYS A 94 5.512 8.522 8.268 1.00 0.00 O ATOM 1468 CB LYS A 94 8.424 7.213 7.816 1.00 0.00 C ATOM 1469 CG LYS A 94 9.819 7.207 8.426 1.00 0.00 C ATOM 1470 CD LYS A 94 10.460 5.846 8.172 1.00 0.00 C ATOM 1471 CE LYS A 94 11.825 5.794 8.854 1.00 0.00 C ATOM 1472 NZ LYS A 94 12.536 4.541 8.460 1.00 0.00 N ATOM 0 H LYS A 94 7.316 8.764 9.890 1.00 0.00 H new ATOM 0 HA LYS A 94 8.421 9.268 7.152 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.770 6.543 8.374 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.463 6.841 6.792 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.427 7.998 7.987 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.764 7.404 9.497 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.819 5.052 8.556 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.570 5.677 7.101 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.417 6.664 8.571 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.703 5.830 9.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.560 4.721 8.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.342 3.797 9.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.202 4.232 7.525 1.00 0.00 H new ATOM 1486 N VAL A 95 6.122 8.484 6.159 1.00 0.00 N ATOM 1487 CA VAL A 95 4.709 8.378 5.685 1.00 0.00 C ATOM 1488 C VAL A 95 4.469 6.977 5.139 1.00 0.00 C ATOM 1489 O VAL A 95 5.165 6.539 4.248 1.00 0.00 O ATOM 1490 CB VAL A 95 4.490 9.382 4.555 1.00 0.00 C ATOM 1491 CG1 VAL A 95 3.051 9.271 4.043 1.00 0.00 C ATOM 1492 CG2 VAL A 95 4.750 10.789 5.089 1.00 0.00 C ATOM 0 H VAL A 95 6.824 8.496 5.419 1.00 0.00 H new ATOM 0 HA VAL A 95 4.027 8.581 6.511 1.00 0.00 H new ATOM 0 HB VAL A 95 5.173 9.173 3.731 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.895 9.988 3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.874 8.262 3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.358 9.484 4.857 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.597 11.515 4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.063 11.000 5.908 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.776 10.857 5.450 1.00 0.00 H new ATOM 1502 N TYR A 96 3.492 6.260 5.647 1.00 0.00 N ATOM 1503 CA TYR A 96 3.240 4.887 5.108 1.00 0.00 C ATOM 1504 C TYR A 96 1.752 4.566 5.078 1.00 0.00 C ATOM 1505 O TYR A 96 0.954 5.174 5.760 1.00 0.00 O ATOM 1506 CB TYR A 96 4.000 3.845 5.931 1.00 0.00 C ATOM 1507 CG TYR A 96 3.438 3.660 7.327 1.00 0.00 C ATOM 1508 CD1 TYR A 96 3.762 4.570 8.344 1.00 0.00 C ATOM 1509 CD2 TYR A 96 2.648 2.538 7.621 1.00 0.00 C ATOM 1510 CE1 TYR A 96 3.290 4.367 9.646 1.00 0.00 C ATOM 1511 CE2 TYR A 96 2.184 2.327 8.923 1.00 0.00 C ATOM 1512 CZ TYR A 96 2.503 3.241 9.938 1.00 0.00 C ATOM 1513 OH TYR A 96 2.053 3.029 11.229 1.00 0.00 O ATOM 0 H TYR A 96 2.870 6.560 6.397 1.00 0.00 H new ATOM 0 HA TYR A 96 3.605 4.857 4.081 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.976 2.890 5.407 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.046 4.142 6.004 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.377 5.429 8.122 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.398 1.836 6.840 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.531 5.075 10.425 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.580 1.460 9.147 1.00 0.00 H new ATOM 0 HH TYR A 96 1.521 2.206 11.259 1.00 0.00 H new ATOM 1523 N LEU A 97 1.383 3.602 4.273 1.00 0.00 N ATOM 1524 CA LEU A 97 -0.055 3.206 4.153 1.00 0.00 C ATOM 1525 C LEU A 97 -0.174 1.678 4.287 1.00 0.00 C ATOM 1526 O LEU A 97 0.671 0.924 3.811 1.00 0.00 O ATOM 1527 CB LEU A 97 -0.584 3.648 2.774 1.00 0.00 C ATOM 1528 CG LEU A 97 0.555 3.581 1.727 1.00 0.00 C ATOM 1529 CD1 LEU A 97 -0.017 3.199 0.362 1.00 0.00 C ATOM 1530 CD2 LEU A 97 1.249 4.948 1.611 1.00 0.00 C ATOM 0 H LEU A 97 2.023 3.066 3.687 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.639 3.684 4.939 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.409 3.005 2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.976 4.663 2.833 1.00 0.00 H new ATOM 0 HG LEU A 97 1.278 2.831 2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.789 3.153 -0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.501 2.225 0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.748 3.946 0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.048 4.889 0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.523 5.700 1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.669 5.226 2.578 1.00 0.00 H new ATOM 1542 N LYS A 98 -1.239 1.227 4.914 1.00 0.00 N ATOM 1543 CA LYS A 98 -1.487 -0.223 5.098 1.00 0.00 C ATOM 1544 C LYS A 98 -2.891 -0.552 4.587 1.00 0.00 C ATOM 1545 O LYS A 98 -3.850 0.103 4.939 1.00 0.00 O ATOM 1546 CB LYS A 98 -1.365 -0.548 6.589 1.00 0.00 C ATOM 1547 CG LYS A 98 -1.778 -1.988 6.812 1.00 0.00 C ATOM 1548 CD LYS A 98 -1.416 -2.422 8.231 1.00 0.00 C ATOM 1549 CE LYS A 98 -2.220 -1.618 9.257 1.00 0.00 C ATOM 1550 NZ LYS A 98 -2.229 -2.368 10.543 1.00 0.00 N ATOM 0 H LYS A 98 -1.960 1.829 5.313 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.763 -0.818 4.541 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.340 -0.393 6.926 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.997 0.120 7.174 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.851 -2.096 6.652 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.281 -2.634 6.088 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.617 -3.486 8.355 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.349 -2.277 8.401 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.777 -0.632 9.397 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.239 -1.462 8.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.772 -1.835 11.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.669 -3.299 10.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.253 -2.494 10.878 1.00 0.00 H new ATOM 1564 N ALA A 99 -3.035 -1.552 3.742 1.00 0.00 N ATOM 1565 CA ALA A 99 -4.410 -1.861 3.227 1.00 0.00 C ATOM 1566 C ALA A 99 -4.527 -3.324 2.749 1.00 0.00 C ATOM 1567 O ALA A 99 -3.597 -3.861 2.177 1.00 0.00 O ATOM 1568 CB ALA A 99 -4.718 -0.930 2.052 1.00 0.00 C ATOM 0 H ALA A 99 -2.284 -2.150 3.396 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.119 -1.713 4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.716 -1.145 1.669 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.674 0.106 2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.984 -1.087 1.261 1.00 0.00 H new ATOM 1574 N PRO A 100 -5.678 -3.960 2.931 1.00 0.00 N ATOM 1575 CA PRO A 100 -5.913 -5.362 2.463 1.00 0.00 C ATOM 1576 C PRO A 100 -6.389 -5.402 1.004 1.00 0.00 C ATOM 1577 O PRO A 100 -7.435 -4.876 0.671 1.00 0.00 O ATOM 1578 CB PRO A 100 -7.016 -5.841 3.399 1.00 0.00 C ATOM 1579 CG PRO A 100 -7.856 -4.627 3.628 1.00 0.00 C ATOM 1580 CD PRO A 100 -6.888 -3.433 3.610 1.00 0.00 C ATOM 0 HA PRO A 100 -5.012 -5.975 2.487 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -7.596 -6.648 2.951 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -6.607 -6.224 4.334 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.615 -4.526 2.852 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.381 -4.690 4.581 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.310 -2.585 3.071 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -6.661 -3.088 4.619 1.00 0.00 H new ATOM 1588 N MET A 101 -5.621 -6.012 0.135 1.00 0.00 N ATOM 1589 CA MET A 101 -6.011 -6.085 -1.319 1.00 0.00 C ATOM 1590 C MET A 101 -6.193 -7.538 -1.776 1.00 0.00 C ATOM 1591 O MET A 101 -5.432 -8.415 -1.420 1.00 0.00 O ATOM 1592 CB MET A 101 -4.916 -5.426 -2.164 1.00 0.00 C ATOM 1593 CG MET A 101 -5.330 -5.422 -3.646 1.00 0.00 C ATOM 1594 SD MET A 101 -6.789 -4.369 -3.885 1.00 0.00 S ATOM 1595 CE MET A 101 -6.047 -2.802 -3.386 1.00 0.00 C ATOM 0 H MET A 101 -4.737 -6.466 0.365 1.00 0.00 H new ATOM 0 HA MET A 101 -6.960 -5.565 -1.447 1.00 0.00 H new ATOM 0 HB2 MET A 101 -4.746 -4.405 -1.822 1.00 0.00 H new ATOM 0 HB3 MET A 101 -3.976 -5.964 -2.041 1.00 0.00 H new ATOM 0 HG2 MET A 101 -4.506 -5.059 -4.261 1.00 0.00 H new ATOM 0 HG3 MET A 101 -5.548 -6.439 -3.973 1.00 0.00 H new ATOM 0 HE1 MET A 101 -6.411 -2.004 -4.033 1.00 0.00 H new ATOM 0 HE2 MET A 101 -6.318 -2.583 -2.353 1.00 0.00 H new ATOM 0 HE3 MET A 101 -4.962 -2.870 -3.469 1.00 0.00 H new ATOM 1605 N ILE A 102 -7.194 -7.786 -2.591 1.00 0.00 N ATOM 1606 CA ILE A 102 -7.424 -9.169 -3.119 1.00 0.00 C ATOM 1607 C ILE A 102 -6.678 -9.365 -4.449 1.00 0.00 C ATOM 1608 O ILE A 102 -6.850 -8.627 -5.402 1.00 0.00 O ATOM 1609 CB ILE A 102 -8.946 -9.487 -3.297 1.00 0.00 C ATOM 1610 CG1 ILE A 102 -9.780 -8.193 -3.607 1.00 0.00 C ATOM 1611 CG2 ILE A 102 -9.462 -10.206 -2.030 1.00 0.00 C ATOM 1612 CD1 ILE A 102 -10.739 -7.824 -2.458 1.00 0.00 C ATOM 0 H ILE A 102 -7.863 -7.087 -2.913 1.00 0.00 H new ATOM 0 HA ILE A 102 -7.030 -9.868 -2.381 1.00 0.00 H new ATOM 0 HB ILE A 102 -9.072 -10.144 -4.158 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -9.100 -7.361 -3.791 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -10.354 -8.344 -4.521 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -10.522 -10.431 -2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -8.908 -11.133 -1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.321 -9.561 -1.163 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -11.292 -6.923 -2.721 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -11.438 -8.643 -2.290 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -10.165 -7.645 -1.549 1.00 0.00 H new ATOM 1624 N LEU A 103 -5.871 -10.395 -4.497 1.00 0.00 N ATOM 1625 CA LEU A 103 -5.094 -10.752 -5.725 1.00 0.00 C ATOM 1626 C LEU A 103 -5.756 -11.998 -6.306 1.00 0.00 C ATOM 1627 O LEU A 103 -6.730 -12.473 -5.763 1.00 0.00 O ATOM 1628 CB LEU A 103 -3.635 -11.080 -5.350 1.00 0.00 C ATOM 1629 CG LEU A 103 -2.825 -9.785 -5.223 1.00 0.00 C ATOM 1630 CD1 LEU A 103 -3.480 -8.865 -4.183 1.00 0.00 C ATOM 1631 CD2 LEU A 103 -1.381 -10.113 -4.798 1.00 0.00 C ATOM 0 H LEU A 103 -5.714 -11.024 -3.709 1.00 0.00 H new ATOM 0 HA LEU A 103 -5.087 -9.927 -6.438 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.607 -11.630 -4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -3.191 -11.724 -6.109 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.805 -9.277 -6.187 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.902 -7.945 -4.095 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.496 -8.626 -4.497 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.508 -9.370 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -0.809 -9.189 -4.709 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.392 -10.627 -3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.918 -10.755 -5.547 1.00 0.00 H new ATOM 1643 N ASN A 104 -5.260 -12.540 -7.386 1.00 0.00 N ATOM 1644 CA ASN A 104 -5.910 -13.767 -7.932 1.00 0.00 C ATOM 1645 C ASN A 104 -5.732 -14.897 -6.914 1.00 0.00 C ATOM 1646 O ASN A 104 -5.033 -15.865 -7.145 1.00 0.00 O ATOM 1647 CB ASN A 104 -5.251 -14.163 -9.251 1.00 0.00 C ATOM 1648 CG ASN A 104 -6.086 -15.244 -9.940 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -7.267 -15.067 -10.164 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -5.521 -16.369 -10.284 1.00 0.00 N ATOM 0 H ASN A 104 -4.451 -12.196 -7.904 1.00 0.00 H new ATOM 0 HA ASN A 104 -6.969 -13.579 -8.112 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -5.160 -13.292 -9.899 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -4.241 -14.531 -9.068 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -6.071 -17.097 -10.740 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -4.530 -16.520 -10.097 1.00 0.00 H new ATOM 1657 N GLY A 105 -6.359 -14.754 -5.784 1.00 0.00 N ATOM 1658 CA GLY A 105 -6.267 -15.772 -4.708 1.00 0.00 C ATOM 1659 C GLY A 105 -7.148 -15.305 -3.552 1.00 0.00 C ATOM 1660 O GLY A 105 -8.336 -15.551 -3.523 1.00 0.00 O ATOM 0 H GLY A 105 -6.947 -13.952 -5.556 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.598 -16.745 -5.072 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.234 -15.889 -4.379 1.00 0.00 H new ATOM 1664 N VAL A 106 -6.571 -14.596 -2.613 1.00 0.00 N ATOM 1665 CA VAL A 106 -7.360 -14.064 -1.459 1.00 0.00 C ATOM 1666 C VAL A 106 -6.700 -12.759 -0.983 1.00 0.00 C ATOM 1667 O VAL A 106 -5.740 -12.300 -1.567 1.00 0.00 O ATOM 1668 CB VAL A 106 -7.404 -15.089 -0.301 1.00 0.00 C ATOM 1669 CG1 VAL A 106 -8.760 -14.993 0.414 1.00 0.00 C ATOM 1670 CG2 VAL A 106 -7.225 -16.520 -0.846 1.00 0.00 C ATOM 0 H VAL A 106 -5.579 -14.361 -2.597 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.386 -13.876 -1.776 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.596 -14.867 0.396 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.793 -15.715 1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.890 -13.987 0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.561 -15.209 -0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.258 -17.231 -0.020 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.026 -16.744 -1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.264 -16.598 -1.354 1.00 0.00 H new ATOM 1680 N CYS A 107 -7.211 -12.140 0.051 1.00 0.00 N ATOM 1681 CA CYS A 107 -6.602 -10.857 0.506 1.00 0.00 C ATOM 1682 C CYS A 107 -5.199 -11.066 1.066 1.00 0.00 C ATOM 1683 O CYS A 107 -4.865 -12.078 1.652 1.00 0.00 O ATOM 1684 CB CYS A 107 -7.475 -10.202 1.579 1.00 0.00 C ATOM 1685 SG CYS A 107 -7.962 -11.427 2.796 1.00 0.00 S ATOM 0 H CYS A 107 -8.013 -12.463 0.593 1.00 0.00 H new ATOM 0 HA CYS A 107 -6.535 -10.206 -0.366 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.927 -9.393 2.063 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -8.359 -9.759 1.121 1.00 0.00 H new ATOM 0 HG CYS A 107 -7.900 -12.613 2.267 1.00 0.00 H new ATOM 1691 N VAL A 108 -4.394 -10.060 0.888 1.00 0.00 N ATOM 1692 CA VAL A 108 -2.995 -10.054 1.381 1.00 0.00 C ATOM 1693 C VAL A 108 -2.814 -8.707 2.064 1.00 0.00 C ATOM 1694 O VAL A 108 -3.499 -7.763 1.726 1.00 0.00 O ATOM 1695 CB VAL A 108 -2.033 -10.212 0.194 1.00 0.00 C ATOM 1696 CG1 VAL A 108 -2.086 -8.967 -0.709 1.00 0.00 C ATOM 1697 CG2 VAL A 108 -0.601 -10.430 0.713 1.00 0.00 C ATOM 0 H VAL A 108 -4.663 -9.206 0.399 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.787 -10.872 2.070 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.336 -11.078 -0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.399 -9.095 -1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.099 -8.836 -1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.798 -8.087 -0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.079 -10.542 -0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.297 -9.572 1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.569 -11.331 1.326 1.00 0.00 H new ATOM 1707 N ILE A 109 -1.948 -8.585 3.033 1.00 0.00 N ATOM 1708 CA ILE A 109 -1.814 -7.266 3.732 1.00 0.00 C ATOM 1709 C ILE A 109 -0.606 -6.493 3.192 1.00 0.00 C ATOM 1710 O ILE A 109 0.538 -6.863 3.374 1.00 0.00 O ATOM 1711 CB ILE A 109 -1.676 -7.544 5.238 1.00 0.00 C ATOM 1712 CG1 ILE A 109 -1.979 -6.287 6.058 1.00 0.00 C ATOM 1713 CG2 ILE A 109 -0.261 -8.031 5.575 1.00 0.00 C ATOM 1714 CD1 ILE A 109 -2.052 -6.678 7.538 1.00 0.00 C ATOM 0 H ILE A 109 -1.334 -9.327 3.370 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.693 -6.646 3.553 1.00 0.00 H new ATOM 0 HB ILE A 109 -2.397 -8.321 5.493 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.204 -5.537 5.902 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -2.921 -5.843 5.737 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.187 -8.221 6.646 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -0.053 -8.950 5.028 1.00 0.00 H new ATOM 0 HG23 ILE A 109 0.464 -7.268 5.291 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -2.267 -5.794 8.138 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -2.842 -7.415 7.681 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -1.098 -7.104 7.849 1.00 0.00 H new ATOM 1726 N TRP A 110 -0.879 -5.406 2.518 1.00 0.00 N ATOM 1727 CA TRP A 110 0.204 -4.558 1.945 1.00 0.00 C ATOM 1728 C TRP A 110 0.467 -3.387 2.900 1.00 0.00 C ATOM 1729 O TRP A 110 -0.442 -2.680 3.275 1.00 0.00 O ATOM 1730 CB TRP A 110 -0.266 -4.048 0.575 1.00 0.00 C ATOM 1731 CG TRP A 110 0.898 -3.566 -0.226 1.00 0.00 C ATOM 1732 CD1 TRP A 110 1.560 -4.316 -1.130 1.00 0.00 C ATOM 1733 CD2 TRP A 110 1.549 -2.261 -0.217 1.00 0.00 C ATOM 1734 NE1 TRP A 110 2.576 -3.562 -1.685 1.00 0.00 N ATOM 1735 CE2 TRP A 110 2.610 -2.284 -1.153 1.00 0.00 C ATOM 1736 CE3 TRP A 110 1.327 -1.071 0.502 1.00 0.00 C ATOM 1737 CZ2 TRP A 110 3.422 -1.167 -1.370 1.00 0.00 C ATOM 1738 CZ3 TRP A 110 2.142 0.052 0.287 1.00 0.00 C ATOM 1739 CH2 TRP A 110 3.184 0.003 -0.646 1.00 0.00 C ATOM 0 H TRP A 110 -1.824 -5.066 2.339 1.00 0.00 H new ATOM 0 HA TRP A 110 1.128 -5.123 1.822 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.779 -4.846 0.039 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.985 -3.239 0.707 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.333 -5.342 -1.380 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.221 -3.904 -2.398 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.525 -1.022 1.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.225 -1.209 -2.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.964 0.959 0.845 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.805 0.872 -0.806 1.00 0.00 H new ATOM 1750 N LYS A 111 1.706 -3.177 3.292 1.00 0.00 N ATOM 1751 CA LYS A 111 2.040 -2.048 4.230 1.00 0.00 C ATOM 1752 C LYS A 111 3.411 -1.480 3.897 1.00 0.00 C ATOM 1753 O LYS A 111 4.344 -1.565 4.668 1.00 0.00 O ATOM 1754 CB LYS A 111 2.031 -2.530 5.680 1.00 0.00 C ATOM 1755 CG LYS A 111 2.806 -3.833 5.800 1.00 0.00 C ATOM 1756 CD LYS A 111 2.701 -4.329 7.241 1.00 0.00 C ATOM 1757 CE LYS A 111 3.460 -5.643 7.404 1.00 0.00 C ATOM 1758 NZ LYS A 111 2.693 -6.729 6.738 1.00 0.00 N ATOM 0 H LYS A 111 2.504 -3.741 3.002 1.00 0.00 H new ATOM 0 HA LYS A 111 1.284 -1.272 4.110 1.00 0.00 H new ATOM 0 HB2 LYS A 111 2.475 -1.773 6.326 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.005 -2.675 6.017 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.404 -4.578 5.113 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.850 -3.679 5.528 1.00 0.00 H new ATOM 0 HD2 LYS A 111 3.106 -3.580 7.921 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.654 -4.470 7.509 1.00 0.00 H new ATOM 0 HE2 LYS A 111 4.455 -5.561 6.966 1.00 0.00 H new ATOM 0 HE3 LYS A 111 3.596 -5.871 8.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.077 -7.652 7.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 1.693 -6.668 7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.772 -6.627 5.706 1.00 0.00 H new ATOM 1772 N GLY A 112 3.529 -0.887 2.757 1.00 0.00 N ATOM 1773 CA GLY A 112 4.830 -0.290 2.359 1.00 0.00 C ATOM 1774 C GLY A 112 5.049 1.021 3.098 1.00 0.00 C ATOM 1775 O GLY A 112 4.104 1.692 3.462 1.00 0.00 O ATOM 0 H GLY A 112 2.778 -0.786 2.074 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.641 -0.983 2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.846 -0.117 1.283 1.00 0.00 H new ATOM 1779 N TRP A 113 6.283 1.409 3.293 1.00 0.00 N ATOM 1780 CA TRP A 113 6.563 2.704 3.990 1.00 0.00 C ATOM 1781 C TRP A 113 7.725 3.419 3.308 1.00 0.00 C ATOM 1782 O TRP A 113 8.511 2.829 2.600 1.00 0.00 O ATOM 1783 CB TRP A 113 6.903 2.476 5.472 1.00 0.00 C ATOM 1784 CG TRP A 113 8.039 1.538 5.623 1.00 0.00 C ATOM 1785 CD1 TRP A 113 7.916 0.208 5.787 1.00 0.00 C ATOM 1786 CD2 TRP A 113 9.457 1.836 5.646 1.00 0.00 C ATOM 1787 NE1 TRP A 113 9.180 -0.341 5.902 1.00 0.00 N ATOM 1788 CE2 TRP A 113 10.167 0.629 5.819 1.00 0.00 C ATOM 1789 CE3 TRP A 113 10.185 3.033 5.534 1.00 0.00 C ATOM 1790 CZ2 TRP A 113 11.561 0.607 5.870 1.00 0.00 C ATOM 1791 CZ3 TRP A 113 11.587 3.017 5.585 1.00 0.00 C ATOM 1792 CH2 TRP A 113 12.274 1.807 5.757 1.00 0.00 C ATOM 0 H TRP A 113 7.109 0.887 3.001 1.00 0.00 H new ATOM 0 HA TRP A 113 5.665 3.319 3.932 1.00 0.00 H new ATOM 0 HB2 TRP A 113 7.149 3.428 5.942 1.00 0.00 H new ATOM 0 HB3 TRP A 113 6.030 2.081 5.991 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.986 -0.339 5.823 1.00 0.00 H new ATOM 0 HE1 TRP A 113 9.363 -1.336 6.032 1.00 0.00 H new ATOM 0 HE3 TRP A 113 9.663 3.970 5.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 12.086 -0.328 5.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 12.139 3.940 5.491 1.00 0.00 H new ATOM 0 HH2 TRP A 113 13.353 1.800 5.802 1.00 0.00 H new ATOM 1803 N ILE A 114 7.829 4.696 3.540 1.00 0.00 N ATOM 1804 CA ILE A 114 8.923 5.499 2.943 1.00 0.00 C ATOM 1805 C ILE A 114 9.151 6.703 3.844 1.00 0.00 C ATOM 1806 O ILE A 114 8.234 7.208 4.466 1.00 0.00 O ATOM 1807 CB ILE A 114 8.547 5.951 1.518 1.00 0.00 C ATOM 1808 CG1 ILE A 114 7.191 6.672 1.544 1.00 0.00 C ATOM 1809 CG2 ILE A 114 8.469 4.732 0.593 1.00 0.00 C ATOM 1810 CD1 ILE A 114 6.840 7.231 0.154 1.00 0.00 C ATOM 0 H ILE A 114 7.187 5.225 4.131 1.00 0.00 H new ATOM 0 HA ILE A 114 9.833 4.905 2.866 1.00 0.00 H new ATOM 0 HB ILE A 114 9.309 6.635 1.145 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.413 5.981 1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.220 7.484 2.270 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.203 5.055 -0.413 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.437 4.231 0.569 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.712 4.041 0.964 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.876 7.737 0.198 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.607 7.939 -0.158 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.788 6.413 -0.565 1.00 0.00 H new ATOM 1822 N ASP A 115 10.365 7.149 3.949 1.00 0.00 N ATOM 1823 CA ASP A 115 10.650 8.297 4.836 1.00 0.00 C ATOM 1824 C ASP A 115 10.212 9.579 4.155 1.00 0.00 C ATOM 1825 O ASP A 115 9.980 9.617 2.962 1.00 0.00 O ATOM 1826 CB ASP A 115 12.148 8.349 5.145 1.00 0.00 C ATOM 1827 CG ASP A 115 12.386 9.120 6.449 1.00 0.00 C ATOM 1828 OD1 ASP A 115 11.470 9.802 6.889 1.00 0.00 O ATOM 1829 OD2 ASP A 115 13.478 9.011 6.988 1.00 0.00 O ATOM 0 H ASP A 115 11.173 6.766 3.457 1.00 0.00 H new ATOM 0 HA ASP A 115 10.101 8.183 5.771 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.545 7.338 5.233 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.681 8.831 4.325 1.00 0.00 H new ATOM 1834 N LEU A 116 10.090 10.625 4.909 1.00 0.00 N ATOM 1835 CA LEU A 116 9.654 11.908 4.322 1.00 0.00 C ATOM 1836 C LEU A 116 10.753 12.431 3.387 1.00 0.00 C ATOM 1837 O LEU A 116 10.519 13.315 2.590 1.00 0.00 O ATOM 1838 CB LEU A 116 9.353 12.899 5.468 1.00 0.00 C ATOM 1839 CG LEU A 116 8.336 13.988 5.025 1.00 0.00 C ATOM 1840 CD1 LEU A 116 7.698 14.612 6.275 1.00 0.00 C ATOM 1841 CD2 LEU A 116 9.015 15.094 4.180 1.00 0.00 C ATOM 0 H LEU A 116 10.275 10.646 5.912 1.00 0.00 H new ATOM 0 HA LEU A 116 8.746 11.782 3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.956 12.356 6.326 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.279 13.374 5.792 1.00 0.00 H new ATOM 0 HG LEU A 116 7.575 13.516 4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.983 15.378 5.975 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.184 13.839 6.846 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.474 15.063 6.893 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.272 15.837 3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.797 15.574 4.769 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.454 14.651 3.286 1.00 0.00 H new ATOM 1853 N HIS A 117 11.957 11.885 3.464 1.00 0.00 N ATOM 1854 CA HIS A 117 13.062 12.363 2.561 1.00 0.00 C ATOM 1855 C HIS A 117 13.372 11.329 1.456 1.00 0.00 C ATOM 1856 O HIS A 117 13.304 11.658 0.289 1.00 0.00 O ATOM 1857 CB HIS A 117 14.317 12.692 3.406 1.00 0.00 C ATOM 1858 CG HIS A 117 15.215 11.490 3.568 1.00 0.00 C ATOM 1859 ND1 HIS A 117 16.373 11.343 2.819 1.00 0.00 N ATOM 1860 CD2 HIS A 117 15.153 10.384 4.382 1.00 0.00 C ATOM 1861 CE1 HIS A 117 16.954 10.189 3.192 1.00 0.00 C ATOM 1862 NE2 HIS A 117 16.252 9.564 4.141 1.00 0.00 N ATOM 0 H HIS A 117 12.216 11.137 4.107 1.00 0.00 H new ATOM 0 HA HIS A 117 12.737 13.272 2.056 1.00 0.00 H new ATOM 0 HB2 HIS A 117 14.873 13.500 2.931 1.00 0.00 H new ATOM 0 HB3 HIS A 117 14.010 13.051 4.388 1.00 0.00 H new ATOM 0 HD1 HIS A 117 16.721 11.992 2.113 1.00 0.00 H new ATOM 0 HD2 HIS A 117 14.371 10.182 5.099 1.00 0.00 H new ATOM 0 HE1 HIS A 117 17.876 9.813 2.775 1.00 0.00 H new ATOM 1870 N ARG A 118 13.706 10.092 1.777 1.00 0.00 N ATOM 1871 CA ARG A 118 13.999 9.106 0.676 1.00 0.00 C ATOM 1872 C ARG A 118 12.726 8.359 0.267 1.00 0.00 C ATOM 1873 O ARG A 118 12.048 7.750 1.071 1.00 0.00 O ATOM 1874 CB ARG A 118 15.096 8.118 1.092 1.00 0.00 C ATOM 1875 CG ARG A 118 14.712 7.377 2.367 1.00 0.00 C ATOM 1876 CD ARG A 118 15.906 6.532 2.821 1.00 0.00 C ATOM 1877 NE ARG A 118 15.491 5.636 3.948 1.00 0.00 N ATOM 1878 CZ ARG A 118 15.054 6.129 5.069 1.00 0.00 C ATOM 1879 NH1 ARG A 118 15.102 7.414 5.275 1.00 0.00 N ATOM 1880 NH2 ARG A 118 14.617 5.335 6.006 1.00 0.00 N ATOM 0 H ARG A 118 13.787 9.730 2.727 1.00 0.00 H new ATOM 0 HA ARG A 118 14.363 9.666 -0.186 1.00 0.00 H new ATOM 0 HB2 ARG A 118 15.268 7.401 0.289 1.00 0.00 H new ATOM 0 HB3 ARG A 118 16.033 8.654 1.247 1.00 0.00 H new ATOM 0 HG2 ARG A 118 14.432 8.086 3.146 1.00 0.00 H new ATOM 0 HG3 ARG A 118 13.845 6.741 2.188 1.00 0.00 H new ATOM 0 HD2 ARG A 118 16.280 5.936 1.988 1.00 0.00 H new ATOM 0 HD3 ARG A 118 16.722 7.180 3.140 1.00 0.00 H new ATOM 0 HE ARG A 118 15.552 4.624 3.834 1.00 0.00 H new ATOM 0 HH11 ARG A 118 15.482 8.032 4.558 1.00 0.00 H new ATOM 0 HH12 ARG A 118 14.760 7.803 6.154 1.00 0.00 H new ATOM 0 HH21 ARG A 118 14.618 4.325 5.860 1.00 0.00 H new ATOM 0 HH22 ARG A 118 14.275 5.723 6.885 1.00 0.00 H new ATOM 1894 N LEU A 119 12.410 8.442 -0.992 1.00 0.00 N ATOM 1895 CA LEU A 119 11.191 7.795 -1.560 1.00 0.00 C ATOM 1896 C LEU A 119 11.458 6.309 -1.884 1.00 0.00 C ATOM 1897 O LEU A 119 10.705 5.688 -2.601 1.00 0.00 O ATOM 1898 CB LEU A 119 10.830 8.565 -2.845 1.00 0.00 C ATOM 1899 CG LEU A 119 9.341 8.408 -3.210 1.00 0.00 C ATOM 1900 CD1 LEU A 119 8.497 9.406 -2.408 1.00 0.00 C ATOM 1901 CD2 LEU A 119 9.159 8.717 -4.704 1.00 0.00 C ATOM 0 H LEU A 119 12.967 8.951 -1.679 1.00 0.00 H new ATOM 0 HA LEU A 119 10.372 7.827 -0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 119 11.062 9.622 -2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 119 11.446 8.205 -3.669 1.00 0.00 H new ATOM 0 HG LEU A 119 9.024 7.390 -2.983 1.00 0.00 H new ATOM 0 HD11 LEU A 119 7.446 9.288 -2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 119 8.627 9.218 -1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.818 10.422 -2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 119 8.108 8.609 -4.973 1.00 0.00 H new ATOM 0 HD22 LEU A 119 9.482 9.738 -4.906 1.00 0.00 H new ATOM 0 HD23 LEU A 119 9.758 8.024 -5.295 1.00 0.00 H new ATOM 1913 N ASP A 120 12.536 5.743 -1.382 1.00 0.00 N ATOM 1914 CA ASP A 120 12.868 4.295 -1.686 1.00 0.00 C ATOM 1915 C ASP A 120 12.842 3.474 -0.393 1.00 0.00 C ATOM 1916 O ASP A 120 13.814 2.844 -0.025 1.00 0.00 O ATOM 1917 CB ASP A 120 14.267 4.211 -2.308 1.00 0.00 C ATOM 1918 CG ASP A 120 15.302 4.723 -1.305 1.00 0.00 C ATOM 1919 OD1 ASP A 120 14.900 5.153 -0.239 1.00 0.00 O ATOM 1920 OD2 ASP A 120 16.477 4.676 -1.618 1.00 0.00 O ATOM 0 H ASP A 120 13.204 6.216 -0.774 1.00 0.00 H new ATOM 0 HA ASP A 120 12.130 3.898 -2.383 1.00 0.00 H new ATOM 0 HB2 ASP A 120 14.492 3.181 -2.586 1.00 0.00 H new ATOM 0 HB3 ASP A 120 14.307 4.803 -3.222 1.00 0.00 H new ATOM 1925 N GLY A 121 11.747 3.494 0.311 1.00 0.00 N ATOM 1926 CA GLY A 121 11.663 2.729 1.592 1.00 0.00 C ATOM 1927 C GLY A 121 11.693 1.227 1.338 1.00 0.00 C ATOM 1928 O GLY A 121 12.337 0.744 0.427 1.00 0.00 O ATOM 0 H GLY A 121 10.903 4.007 0.057 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.494 3.008 2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 121 10.745 2.994 2.118 1.00 0.00 H new ATOM 1932 N MET A 122 10.970 0.495 2.146 1.00 0.00 N ATOM 1933 CA MET A 122 10.892 -0.988 1.993 1.00 0.00 C ATOM 1934 C MET A 122 9.472 -1.404 2.373 1.00 0.00 C ATOM 1935 O MET A 122 8.771 -0.662 3.028 1.00 0.00 O ATOM 1936 CB MET A 122 11.896 -1.664 2.936 1.00 0.00 C ATOM 1937 CG MET A 122 13.316 -1.190 2.610 1.00 0.00 C ATOM 1938 SD MET A 122 14.523 -2.156 3.556 1.00 0.00 S ATOM 1939 CE MET A 122 14.333 -3.742 2.696 1.00 0.00 C ATOM 0 H MET A 122 10.421 0.870 2.919 1.00 0.00 H new ATOM 0 HA MET A 122 11.128 -1.285 0.971 1.00 0.00 H new ATOM 0 HB2 MET A 122 11.653 -1.427 3.972 1.00 0.00 H new ATOM 0 HB3 MET A 122 11.832 -2.747 2.834 1.00 0.00 H new ATOM 0 HG2 MET A 122 13.508 -1.297 1.542 1.00 0.00 H new ATOM 0 HG3 MET A 122 13.419 -0.131 2.848 1.00 0.00 H new ATOM 0 HE1 MET A 122 15.266 -4.302 2.756 1.00 0.00 H new ATOM 0 HE2 MET A 122 13.534 -4.317 3.165 1.00 0.00 H new ATOM 0 HE3 MET A 122 14.085 -3.561 1.650 1.00 0.00 H new ATOM 1949 N GLY A 123 9.018 -2.564 1.980 1.00 0.00 N ATOM 1950 CA GLY A 123 7.623 -2.953 2.342 1.00 0.00 C ATOM 1951 C GLY A 123 7.474 -4.468 2.362 1.00 0.00 C ATOM 1952 O GLY A 123 7.566 -5.129 1.346 1.00 0.00 O ATOM 0 H GLY A 123 9.541 -3.249 1.434 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.369 -2.545 3.320 1.00 0.00 H new ATOM 0 HA3 GLY A 123 6.923 -2.523 1.625 1.00 0.00 H new ATOM 1956 N CYS A 124 7.233 -5.022 3.518 1.00 0.00 N ATOM 1957 CA CYS A 124 7.051 -6.495 3.617 1.00 0.00 C ATOM 1958 C CYS A 124 5.611 -6.832 3.261 1.00 0.00 C ATOM 1959 O CYS A 124 4.681 -6.192 3.713 1.00 0.00 O ATOM 1960 CB CYS A 124 7.379 -6.975 5.031 1.00 0.00 C ATOM 1961 SG CYS A 124 7.535 -8.778 5.038 1.00 0.00 S ATOM 0 H CYS A 124 7.154 -4.516 4.400 1.00 0.00 H new ATOM 0 HA CYS A 124 7.726 -6.999 2.925 1.00 0.00 H new ATOM 0 HB2 CYS A 124 8.307 -6.518 5.375 1.00 0.00 H new ATOM 0 HB3 CYS A 124 6.595 -6.665 5.722 1.00 0.00 H new ATOM 0 HG CYS A 124 7.816 -9.185 6.240 1.00 0.00 H new ATOM 1967 N LEU A 125 5.421 -7.830 2.443 1.00 0.00 N ATOM 1968 CA LEU A 125 4.032 -8.234 2.028 1.00 0.00 C ATOM 1969 C LEU A 125 3.808 -9.680 2.458 1.00 0.00 C ATOM 1970 O LEU A 125 4.668 -10.524 2.297 1.00 0.00 O ATOM 1971 CB LEU A 125 3.920 -8.082 0.508 1.00 0.00 C ATOM 1972 CG LEU A 125 2.596 -8.641 -0.041 1.00 0.00 C ATOM 1973 CD1 LEU A 125 1.421 -7.793 0.455 1.00 0.00 C ATOM 1974 CD2 LEU A 125 2.641 -8.592 -1.576 1.00 0.00 C ATOM 0 H LEU A 125 6.169 -8.392 2.037 1.00 0.00 H new ATOM 0 HA LEU A 125 3.273 -7.608 2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 125 4.004 -7.028 0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.754 -8.597 0.032 1.00 0.00 H new ATOM 0 HG LEU A 125 2.463 -9.667 0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.489 -8.197 0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.393 -7.812 1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.544 -6.765 0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.708 -8.985 -1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.772 -7.561 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.475 -9.195 -1.935 1.00 0.00 H new ATOM 1986 N GLU A 126 2.670 -9.973 3.037 1.00 0.00 N ATOM 1987 CA GLU A 126 2.414 -11.381 3.508 1.00 0.00 C ATOM 1988 C GLU A 126 0.930 -11.761 3.393 1.00 0.00 C ATOM 1989 O GLU A 126 0.051 -11.019 3.781 1.00 0.00 O ATOM 1990 CB GLU A 126 2.792 -11.519 4.991 1.00 0.00 C ATOM 1991 CG GLU A 126 4.273 -11.203 5.227 1.00 0.00 C ATOM 1992 CD GLU A 126 5.150 -12.204 4.477 1.00 0.00 C ATOM 1993 OE1 GLU A 126 4.646 -13.258 4.126 1.00 0.00 O ATOM 1994 OE2 GLU A 126 6.312 -11.905 4.272 1.00 0.00 O ATOM 0 H GLU A 126 1.912 -9.311 3.205 1.00 0.00 H new ATOM 0 HA GLU A 126 3.016 -12.034 2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.176 -10.847 5.588 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.577 -12.533 5.329 1.00 0.00 H new ATOM 0 HG2 GLU A 126 4.495 -10.190 4.891 1.00 0.00 H new ATOM 0 HG3 GLU A 126 4.495 -11.241 6.293 1.00 0.00 H new ATOM 2001 N PHE A 127 0.668 -12.954 2.925 1.00 0.00 N ATOM 2002 CA PHE A 127 -0.736 -13.472 2.844 1.00 0.00 C ATOM 2003 C PHE A 127 -1.117 -13.986 4.247 1.00 0.00 C ATOM 2004 O PHE A 127 -0.863 -15.129 4.576 1.00 0.00 O ATOM 2005 CB PHE A 127 -0.767 -14.631 1.809 1.00 0.00 C ATOM 2006 CG PHE A 127 -1.491 -14.235 0.531 1.00 0.00 C ATOM 2007 CD1 PHE A 127 -0.808 -13.584 -0.511 1.00 0.00 C ATOM 2008 CD2 PHE A 127 -2.842 -14.564 0.378 1.00 0.00 C ATOM 2009 CE1 PHE A 127 -1.485 -13.261 -1.696 1.00 0.00 C ATOM 2010 CE2 PHE A 127 -3.518 -14.238 -0.801 1.00 0.00 C ATOM 2011 CZ PHE A 127 -2.841 -13.587 -1.841 1.00 0.00 C ATOM 0 H PHE A 127 1.379 -13.604 2.589 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.440 -12.701 2.531 1.00 0.00 H new ATOM 0 HB2 PHE A 127 0.253 -14.931 1.570 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.259 -15.498 2.250 1.00 0.00 H new ATOM 0 HD1 PHE A 127 0.236 -13.333 -0.399 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -3.365 -15.072 1.175 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.962 -12.761 -2.497 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -4.563 -14.488 -0.911 1.00 0.00 H new ATOM 0 HZ PHE A 127 -3.363 -13.337 -2.753 1.00 0.00 H new ATOM 2021 N ASP A 128 -1.707 -13.168 5.086 1.00 0.00 N ATOM 2022 CA ASP A 128 -2.065 -13.648 6.463 1.00 0.00 C ATOM 2023 C ASP A 128 -3.363 -12.995 6.929 1.00 0.00 C ATOM 2024 O ASP A 128 -3.685 -12.983 8.100 1.00 0.00 O ATOM 2025 CB ASP A 128 -0.915 -13.298 7.417 1.00 0.00 C ATOM 2026 CG ASP A 128 -1.006 -14.134 8.696 1.00 0.00 C ATOM 2027 OD1 ASP A 128 -1.954 -14.881 8.826 1.00 0.00 O ATOM 2028 OD2 ASP A 128 -0.108 -14.018 9.518 1.00 0.00 O ATOM 0 H ASP A 128 -1.955 -12.200 4.882 1.00 0.00 H new ATOM 0 HA ASP A 128 -2.217 -14.727 6.452 1.00 0.00 H new ATOM 0 HB2 ASP A 128 0.041 -13.478 6.925 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -0.951 -12.237 7.666 1.00 0.00 H new ATOM 2033 N GLU A 129 -4.106 -12.447 6.021 1.00 0.00 N ATOM 2034 CA GLU A 129 -5.383 -11.784 6.398 1.00 0.00 C ATOM 2035 C GLU A 129 -6.412 -12.799 6.953 1.00 0.00 C ATOM 2036 O GLU A 129 -6.934 -13.660 6.252 1.00 0.00 O ATOM 2037 CB GLU A 129 -5.935 -11.070 5.158 1.00 0.00 C ATOM 2038 CG GLU A 129 -5.183 -9.759 4.899 1.00 0.00 C ATOM 2039 CD GLU A 129 -5.529 -8.744 5.990 1.00 0.00 C ATOM 2040 OE1 GLU A 129 -4.867 -8.754 7.013 1.00 0.00 O ATOM 2041 OE2 GLU A 129 -6.450 -7.972 5.781 1.00 0.00 O ATOM 0 H GLU A 129 -3.886 -12.427 5.025 1.00 0.00 H new ATOM 0 HA GLU A 129 -5.195 -11.064 7.195 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -5.847 -11.722 4.289 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -6.996 -10.864 5.295 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -4.108 -9.941 4.885 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -5.451 -9.361 3.920 1.00 0.00 H new ATOM 2048 N GLU A 130 -6.748 -12.675 8.209 1.00 0.00 N ATOM 2049 CA GLU A 130 -7.756 -13.597 8.803 1.00 0.00 C ATOM 2050 C GLU A 130 -9.065 -13.429 8.028 1.00 0.00 C ATOM 2051 O GLU A 130 -9.837 -14.361 7.860 1.00 0.00 O ATOM 2052 CB GLU A 130 -7.956 -13.223 10.278 1.00 0.00 C ATOM 2053 CG GLU A 130 -8.576 -11.827 10.367 1.00 0.00 C ATOM 2054 CD GLU A 130 -8.503 -11.325 11.811 1.00 0.00 C ATOM 2055 OE1 GLU A 130 -7.432 -10.912 12.217 1.00 0.00 O ATOM 2056 OE2 GLU A 130 -9.518 -11.363 12.482 1.00 0.00 O ATOM 0 H GLU A 130 -6.368 -11.976 8.848 1.00 0.00 H new ATOM 0 HA GLU A 130 -7.426 -14.634 8.743 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -8.603 -13.952 10.765 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -7.001 -13.243 10.803 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -8.048 -11.140 9.705 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -9.613 -11.857 10.033 1.00 0.00 H new ATOM 2063 N ARG A 131 -9.309 -12.262 7.506 1.00 0.00 N ATOM 2064 CA ARG A 131 -10.545 -12.088 6.706 1.00 0.00 C ATOM 2065 C ARG A 131 -10.381 -12.926 5.435 1.00 0.00 C ATOM 2066 O ARG A 131 -11.336 -13.247 4.760 1.00 0.00 O ATOM 2067 CB ARG A 131 -10.802 -10.607 6.376 1.00 0.00 C ATOM 2068 CG ARG A 131 -9.553 -9.963 5.788 1.00 0.00 C ATOM 2069 CD ARG A 131 -9.826 -8.481 5.528 1.00 0.00 C ATOM 2070 NE ARG A 131 -11.106 -8.343 4.756 1.00 0.00 N ATOM 2071 CZ ARG A 131 -11.265 -8.927 3.598 1.00 0.00 C ATOM 2072 NH1 ARG A 131 -10.248 -9.462 2.986 1.00 0.00 N ATOM 2073 NH2 ARG A 131 -12.437 -8.936 3.027 1.00 0.00 N ATOM 0 H ARG A 131 -8.717 -11.436 7.597 1.00 0.00 H new ATOM 0 HA ARG A 131 -11.414 -12.422 7.273 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -11.627 -10.525 5.669 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -11.101 -10.075 7.279 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -8.714 -10.075 6.474 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -9.275 -10.462 4.860 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -9.897 -7.941 6.472 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -9.001 -8.039 4.969 1.00 0.00 H new ATOM 0 HE ARG A 131 -11.866 -7.783 5.143 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -9.321 -9.427 3.410 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -10.378 -9.917 2.082 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -13.231 -8.487 3.484 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -12.560 -9.392 2.123 1.00 0.00 H new ATOM 2087 N ALA A 132 -9.165 -13.305 5.121 1.00 0.00 N ATOM 2088 CA ALA A 132 -8.921 -14.144 3.906 1.00 0.00 C ATOM 2089 C ALA A 132 -9.651 -15.457 4.048 1.00 0.00 C ATOM 2090 O ALA A 132 -10.232 -15.963 3.108 1.00 0.00 O ATOM 2091 CB ALA A 132 -7.423 -14.445 3.779 1.00 0.00 C ATOM 0 H ALA A 132 -8.329 -13.068 5.656 1.00 0.00 H new ATOM 0 HA ALA A 132 -9.274 -13.604 3.027 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.248 -15.056 2.893 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -6.870 -13.510 3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -7.084 -14.983 4.664 1.00 0.00 H new ATOM 2097 N GLN A 133 -9.607 -16.036 5.202 1.00 0.00 N ATOM 2098 CA GLN A 133 -10.300 -17.344 5.352 1.00 0.00 C ATOM 2099 C GLN A 133 -11.816 -17.142 5.168 1.00 0.00 C ATOM 2100 O GLN A 133 -12.467 -17.857 4.417 1.00 0.00 O ATOM 2101 CB GLN A 133 -9.965 -17.952 6.729 1.00 0.00 C ATOM 2102 CG GLN A 133 -10.871 -17.384 7.826 1.00 0.00 C ATOM 2103 CD GLN A 133 -10.291 -17.748 9.199 1.00 0.00 C ATOM 2104 OE1 GLN A 133 -9.090 -17.752 9.376 1.00 0.00 O ATOM 2105 NE2 GLN A 133 -11.094 -18.033 10.190 1.00 0.00 N ATOM 0 H GLN A 133 -9.136 -15.678 6.033 1.00 0.00 H new ATOM 0 HA GLN A 133 -9.958 -18.043 4.589 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -10.077 -19.035 6.687 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -8.923 -17.749 6.974 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -10.948 -16.301 7.726 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -11.879 -17.786 7.726 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -12.104 -18.031 10.045 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -10.711 -18.258 11.108 1.00 0.00 H new ATOM 2114 N GLN A 134 -12.391 -16.164 5.825 1.00 0.00 N ATOM 2115 CA GLN A 134 -13.865 -15.944 5.656 1.00 0.00 C ATOM 2116 C GLN A 134 -14.192 -15.217 4.336 1.00 0.00 C ATOM 2117 O GLN A 134 -15.186 -15.518 3.702 1.00 0.00 O ATOM 2118 CB GLN A 134 -14.426 -15.174 6.856 1.00 0.00 C ATOM 2119 CG GLN A 134 -13.527 -13.987 7.181 1.00 0.00 C ATOM 2120 CD GLN A 134 -14.184 -13.123 8.262 1.00 0.00 C ATOM 2121 OE1 GLN A 134 -14.047 -13.389 9.441 1.00 0.00 O ATOM 2122 NE2 GLN A 134 -14.894 -12.088 7.905 1.00 0.00 N ATOM 0 H GLN A 134 -11.917 -15.520 6.458 1.00 0.00 H new ATOM 0 HA GLN A 134 -14.343 -16.922 5.609 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -15.435 -14.827 6.636 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -14.498 -15.834 7.721 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -12.554 -14.339 7.524 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -13.353 -13.394 6.283 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -15.009 -11.865 6.916 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -15.334 -11.502 8.615 1.00 0.00 H new ATOM 2131 N GLU A 135 -13.387 -14.269 3.901 1.00 0.00 N ATOM 2132 CA GLU A 135 -13.717 -13.568 2.615 1.00 0.00 C ATOM 2133 C GLU A 135 -13.600 -14.547 1.445 1.00 0.00 C ATOM 2134 O GLU A 135 -14.294 -14.428 0.463 1.00 0.00 O ATOM 2135 CB GLU A 135 -12.788 -12.345 2.392 1.00 0.00 C ATOM 2136 CG GLU A 135 -11.481 -12.744 1.659 1.00 0.00 C ATOM 2137 CD GLU A 135 -11.660 -12.634 0.133 1.00 0.00 C ATOM 2138 OE1 GLU A 135 -12.405 -11.777 -0.305 1.00 0.00 O ATOM 2139 OE2 GLU A 135 -11.043 -13.413 -0.571 1.00 0.00 O ATOM 0 H GLU A 135 -12.536 -13.957 4.369 1.00 0.00 H new ATOM 0 HA GLU A 135 -14.742 -13.203 2.674 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -13.315 -11.589 1.810 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -12.543 -11.894 3.354 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -10.665 -12.098 1.982 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -11.205 -13.764 1.926 1.00 0.00 H new ATOM 2146 N ASP A 136 -12.723 -15.512 1.533 1.00 0.00 N ATOM 2147 CA ASP A 136 -12.596 -16.472 0.405 1.00 0.00 C ATOM 2148 C ASP A 136 -13.915 -17.206 0.247 1.00 0.00 C ATOM 2149 O ASP A 136 -14.412 -17.380 -0.848 1.00 0.00 O ATOM 2150 CB ASP A 136 -11.490 -17.486 0.676 1.00 0.00 C ATOM 2151 CG ASP A 136 -11.327 -18.370 -0.560 1.00 0.00 C ATOM 2152 OD1 ASP A 136 -12.235 -19.136 -0.837 1.00 0.00 O ATOM 2153 OD2 ASP A 136 -10.301 -18.265 -1.213 1.00 0.00 O ATOM 0 H ASP A 136 -12.100 -15.674 2.324 1.00 0.00 H new ATOM 0 HA ASP A 136 -12.346 -15.923 -0.503 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -10.554 -16.974 0.901 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -11.739 -18.094 1.546 1.00 0.00 H new ATOM 2158 N ALA A 137 -14.501 -17.634 1.331 1.00 0.00 N ATOM 2159 CA ALA A 137 -15.807 -18.332 1.206 1.00 0.00 C ATOM 2160 C ALA A 137 -16.838 -17.323 0.698 1.00 0.00 C ATOM 2161 O ALA A 137 -17.661 -17.624 -0.139 1.00 0.00 O ATOM 2162 CB ALA A 137 -16.248 -18.898 2.563 1.00 0.00 C ATOM 0 H ALA A 137 -14.140 -17.533 2.279 1.00 0.00 H new ATOM 0 HA ALA A 137 -15.717 -19.165 0.509 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -17.206 -19.405 2.452 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -15.502 -19.607 2.922 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -16.350 -18.084 3.281 1.00 0.00 H new ATOM 2168 N LEU A 138 -16.794 -16.121 1.205 1.00 0.00 N ATOM 2169 CA LEU A 138 -17.763 -15.081 0.759 1.00 0.00 C ATOM 2170 C LEU A 138 -17.285 -14.434 -0.550 1.00 0.00 C ATOM 2171 O LEU A 138 -17.984 -13.634 -1.141 1.00 0.00 O ATOM 2172 CB LEU A 138 -17.895 -14.015 1.852 1.00 0.00 C ATOM 2173 CG LEU A 138 -18.337 -14.669 3.174 1.00 0.00 C ATOM 2174 CD1 LEU A 138 -18.471 -13.594 4.258 1.00 0.00 C ATOM 2175 CD2 LEU A 138 -19.685 -15.388 2.983 1.00 0.00 C ATOM 0 H LEU A 138 -16.126 -15.814 1.912 1.00 0.00 H new ATOM 0 HA LEU A 138 -18.733 -15.545 0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -16.942 -13.504 1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -18.621 -13.260 1.550 1.00 0.00 H new ATOM 0 HG LEU A 138 -17.588 -15.400 3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -18.784 -14.058 5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -17.510 -13.100 4.401 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -19.215 -12.859 3.951 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -19.989 -15.847 3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -20.441 -14.667 2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -19.581 -16.159 2.220 1.00 0.00 H new ATOM 2187 N ALA A 139 -16.103 -14.759 -1.007 1.00 0.00 N ATOM 2188 CA ALA A 139 -15.603 -14.141 -2.275 1.00 0.00 C ATOM 2189 C ALA A 139 -16.532 -14.538 -3.420 1.00 0.00 C ATOM 2190 O ALA A 139 -16.662 -13.836 -4.405 1.00 0.00 O ATOM 2191 CB ALA A 139 -14.179 -14.619 -2.575 1.00 0.00 C ATOM 0 H ALA A 139 -15.466 -15.420 -0.562 1.00 0.00 H new ATOM 0 HA ALA A 139 -15.589 -13.056 -2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -13.829 -14.161 -3.500 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -13.519 -14.333 -1.756 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.174 -15.704 -2.683 1.00 0.00 H new