USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 674 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 7 LYS NZ :NH3+ 151:sc= 1.28 (180deg=0) USER MOD Set 1.2: A 16 THR OG1 : rot 140:sc= 1.08 USER MOD Set 2.1: A 5 SER OG : rot 180:sc= -0.0691 USER MOD Set 2.2: A 18 GLN :FLIP amide:sc= 0 F(o=-1,f=-0.069) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -160:sc= -0.0929 (180deg=-0.576) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -150:sc= 0.0142 USER MOD Single : A 24 MET CE :methyl 156:sc= -2.14 (180deg=-3.19!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot -26:sc= 0.771 USER MOD Single : A 31 MET CE :methyl 157:sc= -0.245 (180deg=-0.855) USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0306 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -179:sc= 1.03 (180deg=0.973) USER MOD Single : A 66 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.24) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 130:sc= 0.927 USER MOD Single : A 72 MET CE :methyl 160:sc= -0.154 (180deg=-0.776) USER MOD Single : A 75 ASN : amide:sc= -0.207 X(o=-0.21,f=-0.24) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 170:sc= -3.66! (180deg=-4.15!) USER MOD Single : A 81 TYR OH : rot 100:sc= 0.741 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -134:sc= -0.726 (180deg=-2.9!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 2 15.301 -7.300 2.786 1.00 1.00 N ATOM 107 CA VAL A 2 13.943 -7.682 2.425 1.00 1.00 C ATOM 108 C VAL A 2 13.063 -6.460 2.188 1.00 1.00 C ATOM 109 O VAL A 2 13.297 -5.390 2.756 1.00 1.00 O ATOM 110 CB VAL A 2 13.297 -8.580 3.503 1.00 1.00 C ATOM 111 CG1 VAL A 2 14.004 -9.924 3.565 1.00 1.00 C ATOM 112 CG2 VAL A 2 13.317 -7.903 4.867 1.00 1.00 C ATOM 0 HA VAL A 2 14.017 -8.249 1.497 1.00 1.00 H new ATOM 0 HB VAL A 2 12.256 -8.745 3.226 1.00 1.00 H new ATOM 0 HG11 VAL A 2 13.537 -10.546 4.329 1.00 1.00 H new ATOM 0 HG12 VAL A 2 13.928 -10.420 2.597 1.00 1.00 H new ATOM 0 HG13 VAL A 2 15.054 -9.771 3.813 1.00 1.00 H new ATOM 0 HG21 VAL A 2 12.856 -8.559 5.605 1.00 1.00 H new ATOM 0 HG22 VAL A 2 14.348 -7.699 5.157 1.00 1.00 H new ATOM 0 HG23 VAL A 2 12.762 -6.966 4.816 1.00 1.00 H new ATOM 122 N ALA A 3 12.052 -6.633 1.346 1.00 1.00 N ATOM 123 CA ALA A 3 11.129 -5.558 1.019 1.00 1.00 C ATOM 124 C ALA A 3 9.852 -6.123 0.411 1.00 1.00 C ATOM 125 O ALA A 3 9.758 -7.322 0.148 1.00 1.00 O ATOM 126 CB ALA A 3 11.778 -4.568 0.061 1.00 1.00 C ATOM 0 H ALA A 3 11.851 -7.515 0.875 1.00 1.00 H new ATOM 0 HA ALA A 3 10.874 -5.031 1.939 1.00 1.00 H new ATOM 0 HB1 ALA A 3 11.072 -3.771 -0.172 1.00 1.00 H new ATOM 0 HB2 ALA A 3 12.667 -4.141 0.526 1.00 1.00 H new ATOM 0 HB3 ALA A 3 12.061 -5.082 -0.858 1.00 1.00 H new ATOM 132 N LEU A 4 8.874 -5.260 0.210 1.00 1.00 N ATOM 133 CA LEU A 4 7.615 -5.640 -0.414 1.00 1.00 C ATOM 134 C LEU A 4 7.367 -4.770 -1.641 1.00 1.00 C ATOM 135 O LEU A 4 6.987 -3.607 -1.512 1.00 1.00 O ATOM 136 CB LEU A 4 6.459 -5.458 0.575 1.00 1.00 C ATOM 137 CG LEU A 4 6.577 -6.224 1.895 1.00 1.00 C ATOM 138 CD1 LEU A 4 5.572 -5.691 2.898 1.00 1.00 C ATOM 139 CD2 LEU A 4 6.354 -7.714 1.683 1.00 1.00 C ATOM 0 H LEU A 4 8.927 -4.276 0.473 1.00 1.00 H new ATOM 0 HA LEU A 4 7.673 -6.687 -0.711 1.00 1.00 H new ATOM 0 HB2 LEU A 4 6.365 -4.396 0.802 1.00 1.00 H new ATOM 0 HB3 LEU A 4 5.535 -5.762 0.083 1.00 1.00 H new ATOM 0 HG LEU A 4 7.586 -6.079 2.282 1.00 1.00 H new ATOM 0 HD11 LEU A 4 5.664 -6.243 3.834 1.00 1.00 H new ATOM 0 HD12 LEU A 4 5.765 -4.634 3.080 1.00 1.00 H new ATOM 0 HD13 LEU A 4 4.564 -5.813 2.503 1.00 1.00 H new ATOM 0 HD21 LEU A 4 6.443 -8.235 2.636 1.00 1.00 H new ATOM 0 HD22 LEU A 4 5.358 -7.878 1.272 1.00 1.00 H new ATOM 0 HD23 LEU A 4 7.101 -8.098 0.988 1.00 1.00 H new ATOM 151 N SER A 5 7.591 -5.316 -2.825 1.00 1.00 N ATOM 152 CA SER A 5 7.403 -4.546 -4.048 1.00 1.00 C ATOM 153 C SER A 5 6.002 -4.764 -4.616 1.00 1.00 C ATOM 154 O SER A 5 5.729 -5.771 -5.271 1.00 1.00 O ATOM 155 CB SER A 5 8.461 -4.941 -5.075 1.00 1.00 C ATOM 156 OG SER A 5 9.766 -4.814 -4.531 1.00 1.00 O ATOM 0 H SER A 5 7.900 -6.278 -2.967 1.00 1.00 H new ATOM 0 HA SER A 5 7.511 -3.487 -3.814 1.00 1.00 H new ATOM 0 HB2 SER A 5 8.295 -5.969 -5.397 1.00 1.00 H new ATOM 0 HB3 SER A 5 8.368 -4.311 -5.960 1.00 1.00 H new ATOM 0 HG SER A 5 10.428 -5.074 -5.205 1.00 1.00 H new ATOM 162 N LEU A 6 5.122 -3.805 -4.388 1.00 1.00 N ATOM 163 CA LEU A 6 3.731 -3.945 -4.789 1.00 1.00 C ATOM 164 C LEU A 6 3.306 -2.814 -5.715 1.00 1.00 C ATOM 165 O LEU A 6 3.973 -1.781 -5.810 1.00 1.00 O ATOM 166 CB LEU A 6 2.809 -3.982 -3.562 1.00 1.00 C ATOM 167 CG LEU A 6 2.714 -5.328 -2.827 1.00 1.00 C ATOM 168 CD1 LEU A 6 3.947 -5.577 -1.978 1.00 1.00 C ATOM 169 CD2 LEU A 6 1.462 -5.365 -1.970 1.00 1.00 C ATOM 0 H LEU A 6 5.344 -2.922 -3.928 1.00 1.00 H new ATOM 0 HA LEU A 6 3.642 -4.888 -5.329 1.00 1.00 H new ATOM 0 HB2 LEU A 6 3.151 -3.228 -2.853 1.00 1.00 H new ATOM 0 HB3 LEU A 6 1.807 -3.692 -3.877 1.00 1.00 H new ATOM 0 HG LEU A 6 2.657 -6.121 -3.572 1.00 1.00 H new ATOM 0 HD11 LEU A 6 3.851 -6.537 -1.470 1.00 1.00 H new ATOM 0 HD12 LEU A 6 4.831 -5.591 -2.615 1.00 1.00 H new ATOM 0 HD13 LEU A 6 4.046 -4.783 -1.238 1.00 1.00 H new ATOM 0 HD21 LEU A 6 1.403 -6.323 -1.453 1.00 1.00 H new ATOM 0 HD22 LEU A 6 1.499 -4.559 -1.237 1.00 1.00 H new ATOM 0 HD23 LEU A 6 0.584 -5.240 -2.603 1.00 1.00 H new ATOM 181 N LYS A 7 2.195 -3.028 -6.402 1.00 1.00 N ATOM 182 CA LYS A 7 1.622 -2.021 -7.280 1.00 1.00 C ATOM 183 C LYS A 7 0.537 -1.263 -6.535 1.00 1.00 C ATOM 184 O LYS A 7 -0.433 -1.860 -6.076 1.00 1.00 O ATOM 185 CB LYS A 7 1.025 -2.680 -8.524 1.00 1.00 C ATOM 186 CG LYS A 7 2.028 -3.472 -9.346 1.00 1.00 C ATOM 187 CD LYS A 7 3.026 -2.565 -10.043 1.00 1.00 C ATOM 188 CE LYS A 7 3.987 -3.362 -10.908 1.00 1.00 C ATOM 189 NZ LYS A 7 4.790 -2.485 -11.800 1.00 1.00 N ATOM 0 H LYS A 7 1.667 -3.900 -6.367 1.00 1.00 H new ATOM 0 HA LYS A 7 2.407 -1.331 -7.590 1.00 1.00 H new ATOM 0 HB2 LYS A 7 0.217 -3.344 -8.218 1.00 1.00 H new ATOM 0 HB3 LYS A 7 0.583 -1.909 -9.154 1.00 1.00 H new ATOM 0 HG2 LYS A 7 2.560 -4.168 -8.698 1.00 1.00 H new ATOM 0 HG3 LYS A 7 1.499 -4.069 -10.089 1.00 1.00 H new ATOM 0 HD2 LYS A 7 2.493 -1.841 -10.660 1.00 1.00 H new ATOM 0 HD3 LYS A 7 3.587 -1.999 -9.299 1.00 1.00 H new ATOM 0 HE2 LYS A 7 4.656 -3.940 -10.270 1.00 1.00 H new ATOM 0 HE3 LYS A 7 3.426 -4.076 -11.511 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 5.709 -2.932 -11.991 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 4.282 -2.342 -12.696 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 4.942 -1.566 -11.338 1.00 1.00 H new ATOM 203 N ILE A 8 0.703 0.040 -6.400 1.00 1.00 N ATOM 204 CA ILE A 8 -0.259 0.850 -5.673 1.00 1.00 C ATOM 205 C ILE A 8 -1.028 1.757 -6.623 1.00 1.00 C ATOM 206 O ILE A 8 -0.448 2.616 -7.285 1.00 1.00 O ATOM 207 CB ILE A 8 0.417 1.711 -4.584 1.00 1.00 C ATOM 208 CG1 ILE A 8 1.284 0.838 -3.668 1.00 1.00 C ATOM 209 CG2 ILE A 8 -0.637 2.451 -3.769 1.00 1.00 C ATOM 210 CD1 ILE A 8 0.512 -0.245 -2.942 1.00 1.00 C ATOM 0 H ILE A 8 1.493 0.560 -6.783 1.00 1.00 H new ATOM 0 HA ILE A 8 -0.948 0.159 -5.187 1.00 1.00 H new ATOM 0 HB ILE A 8 1.061 2.443 -5.071 1.00 1.00 H new ATOM 0 HG12 ILE A 8 2.070 0.373 -4.263 1.00 1.00 H new ATOM 0 HG13 ILE A 8 1.775 1.476 -2.933 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -0.148 3.055 -3.004 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -1.217 3.099 -4.427 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -1.301 1.730 -3.292 1.00 1.00 H new ATOM 0 HD11 ILE A 8 1.194 -0.819 -2.315 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -0.257 0.212 -2.319 1.00 1.00 H new ATOM 0 HD13 ILE A 8 0.043 -0.908 -3.670 1.00 1.00 H new ATOM 222 N SER A 9 -2.331 1.553 -6.687 1.00 1.00 N ATOM 223 CA SER A 9 -3.192 2.358 -7.535 1.00 1.00 C ATOM 224 C SER A 9 -3.873 3.442 -6.710 1.00 1.00 C ATOM 225 O SER A 9 -4.681 3.144 -5.833 1.00 1.00 O ATOM 226 CB SER A 9 -4.246 1.469 -8.203 1.00 1.00 C ATOM 227 OG SER A 9 -5.067 2.211 -9.091 1.00 1.00 O ATOM 0 H SER A 9 -2.820 0.831 -6.158 1.00 1.00 H new ATOM 0 HA SER A 9 -2.585 2.831 -8.307 1.00 1.00 H new ATOM 0 HB2 SER A 9 -3.752 0.665 -8.749 1.00 1.00 H new ATOM 0 HB3 SER A 9 -4.866 1.001 -7.438 1.00 1.00 H new ATOM 0 HG SER A 9 -5.727 1.615 -9.502 1.00 1.00 H new ATOM 233 N ILE A 10 -3.534 4.694 -6.977 1.00 1.00 N ATOM 234 CA ILE A 10 -4.162 5.807 -6.282 1.00 1.00 C ATOM 235 C ILE A 10 -5.086 6.558 -7.230 1.00 1.00 C ATOM 236 O ILE A 10 -4.646 7.420 -7.994 1.00 1.00 O ATOM 237 CB ILE A 10 -3.138 6.795 -5.686 1.00 1.00 C ATOM 238 CG1 ILE A 10 -2.126 6.059 -4.808 1.00 1.00 C ATOM 239 CG2 ILE A 10 -3.850 7.869 -4.877 1.00 1.00 C ATOM 240 CD1 ILE A 10 -0.867 5.648 -5.544 1.00 1.00 C ATOM 0 H ILE A 10 -2.832 4.964 -7.666 1.00 1.00 H new ATOM 0 HA ILE A 10 -4.728 5.380 -5.454 1.00 1.00 H new ATOM 0 HB ILE A 10 -2.602 7.270 -6.508 1.00 1.00 H new ATOM 0 HG12 ILE A 10 -1.853 6.699 -3.969 1.00 1.00 H new ATOM 0 HG13 ILE A 10 -2.599 5.170 -4.391 1.00 1.00 H new ATOM 0 HG21 ILE A 10 -3.115 8.559 -4.462 1.00 1.00 H new ATOM 0 HG22 ILE A 10 -4.537 8.415 -5.523 1.00 1.00 H new ATOM 0 HG23 ILE A 10 -4.408 7.403 -4.065 1.00 1.00 H new ATOM 0 HD11 ILE A 10 -0.196 5.131 -4.857 1.00 1.00 H new ATOM 0 HD12 ILE A 10 -1.127 4.982 -6.367 1.00 1.00 H new ATOM 0 HD13 ILE A 10 -0.370 6.534 -5.938 1.00 1.00 H new ATOM 252 N GLY A 11 -6.361 6.197 -7.202 1.00 1.00 N ATOM 253 CA GLY A 11 -7.332 6.820 -8.081 1.00 1.00 C ATOM 254 C GLY A 11 -7.258 6.278 -9.495 1.00 1.00 C ATOM 255 O GLY A 11 -8.194 5.641 -9.975 1.00 1.00 O ATOM 0 H GLY A 11 -6.742 5.481 -6.584 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -8.334 6.659 -7.684 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -7.165 7.897 -8.098 1.00 1.00 H new ATOM 259 N ASN A 12 -6.141 6.529 -10.160 1.00 1.00 N ATOM 260 CA ASN A 12 -5.934 6.070 -11.529 1.00 1.00 C ATOM 261 C ASN A 12 -4.456 5.771 -11.775 1.00 1.00 C ATOM 262 O ASN A 12 -4.109 4.846 -12.513 1.00 1.00 O ATOM 263 CB ASN A 12 -6.436 7.124 -12.526 1.00 1.00 C ATOM 264 CG ASN A 12 -6.242 6.711 -13.975 1.00 1.00 C ATOM 265 OD1 ASN A 12 -6.267 5.527 -14.308 1.00 1.00 O ATOM 266 ND2 ASN A 12 -6.063 7.689 -14.848 1.00 1.00 N ATOM 0 H ASN A 12 -5.356 7.052 -9.772 1.00 1.00 H new ATOM 0 HA ASN A 12 -6.502 5.151 -11.675 1.00 1.00 H new ATOM 0 HB2 ASN A 12 -7.495 7.311 -12.346 1.00 1.00 H new ATOM 0 HB3 ASN A 12 -5.912 8.063 -12.348 1.00 1.00 H new ATOM 0 HD21 ASN A 12 -5.939 7.473 -15.837 1.00 1.00 H new ATOM 0 HD22 ASN A 12 -6.049 8.659 -14.532 1.00 1.00 H new ATOM 273 N VAL A 13 -3.589 6.550 -11.144 1.00 1.00 N ATOM 274 CA VAL A 13 -2.149 6.366 -11.286 1.00 1.00 C ATOM 275 C VAL A 13 -1.672 5.160 -10.478 1.00 1.00 C ATOM 276 O VAL A 13 -1.926 5.067 -9.276 1.00 1.00 O ATOM 277 CB VAL A 13 -1.379 7.628 -10.840 1.00 1.00 C ATOM 278 CG1 VAL A 13 0.125 7.417 -10.931 1.00 1.00 C ATOM 279 CG2 VAL A 13 -1.798 8.825 -11.677 1.00 1.00 C ATOM 0 H VAL A 13 -3.857 7.317 -10.527 1.00 1.00 H new ATOM 0 HA VAL A 13 -1.945 6.188 -12.342 1.00 1.00 H new ATOM 0 HB VAL A 13 -1.627 7.823 -9.797 1.00 1.00 H new ATOM 0 HG11 VAL A 13 0.640 8.323 -10.610 1.00 1.00 H new ATOM 0 HG12 VAL A 13 0.416 6.587 -10.287 1.00 1.00 H new ATOM 0 HG13 VAL A 13 0.399 7.189 -11.961 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -1.247 9.707 -11.351 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -1.581 8.629 -12.727 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -2.867 8.999 -11.554 1.00 1.00 H new ATOM 289 N VAL A 14 -0.989 4.240 -11.147 1.00 1.00 N ATOM 290 CA VAL A 14 -0.475 3.039 -10.498 1.00 1.00 C ATOM 291 C VAL A 14 1.040 3.124 -10.343 1.00 1.00 C ATOM 292 O VAL A 14 1.776 3.161 -11.332 1.00 1.00 O ATOM 293 CB VAL A 14 -0.835 1.765 -11.294 1.00 1.00 C ATOM 294 CG1 VAL A 14 -0.356 0.518 -10.564 1.00 1.00 C ATOM 295 CG2 VAL A 14 -2.333 1.696 -11.545 1.00 1.00 C ATOM 0 H VAL A 14 -0.777 4.302 -12.143 1.00 1.00 H new ATOM 0 HA VAL A 14 -0.942 2.977 -9.515 1.00 1.00 H new ATOM 0 HB VAL A 14 -0.327 1.811 -12.257 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -0.621 -0.367 -11.143 1.00 1.00 H new ATOM 0 HG12 VAL A 14 0.726 0.561 -10.441 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -0.830 0.465 -9.584 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -2.566 0.792 -12.107 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -2.861 1.677 -10.592 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -2.647 2.569 -12.117 1.00 1.00 H new ATOM 305 N LYS A 15 1.500 3.163 -9.104 1.00 1.00 N ATOM 306 CA LYS A 15 2.919 3.292 -8.810 1.00 1.00 C ATOM 307 C LYS A 15 3.482 1.988 -8.261 1.00 1.00 C ATOM 308 O LYS A 15 2.810 1.275 -7.517 1.00 1.00 O ATOM 309 CB LYS A 15 3.144 4.410 -7.794 1.00 1.00 C ATOM 310 CG LYS A 15 2.886 5.804 -8.338 1.00 1.00 C ATOM 311 CD LYS A 15 3.943 6.209 -9.350 1.00 1.00 C ATOM 312 CE LYS A 15 3.788 7.661 -9.765 1.00 1.00 C ATOM 313 NZ LYS A 15 4.888 8.102 -10.661 1.00 1.00 N ATOM 0 H LYS A 15 0.905 3.107 -8.277 1.00 1.00 H new ATOM 0 HA LYS A 15 3.436 3.532 -9.739 1.00 1.00 H new ATOM 0 HB2 LYS A 15 2.495 4.241 -6.935 1.00 1.00 H new ATOM 0 HB3 LYS A 15 4.171 4.357 -7.433 1.00 1.00 H new ATOM 0 HG2 LYS A 15 1.902 5.837 -8.805 1.00 1.00 H new ATOM 0 HG3 LYS A 15 2.874 6.520 -7.516 1.00 1.00 H new ATOM 0 HD2 LYS A 15 4.934 6.055 -8.924 1.00 1.00 H new ATOM 0 HD3 LYS A 15 3.871 5.569 -10.229 1.00 1.00 H new ATOM 0 HE2 LYS A 15 2.832 7.794 -10.272 1.00 1.00 H new ATOM 0 HE3 LYS A 15 3.768 8.292 -8.877 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 4.745 9.099 -10.921 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 5.799 8.000 -10.169 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 4.891 7.517 -11.521 1.00 1.00 H new ATOM 327 N THR A 16 4.712 1.678 -8.635 1.00 1.00 N ATOM 328 CA THR A 16 5.395 0.513 -8.103 1.00 1.00 C ATOM 329 C THR A 16 6.182 0.911 -6.861 1.00 1.00 C ATOM 330 O THR A 16 7.248 1.523 -6.954 1.00 1.00 O ATOM 331 CB THR A 16 6.344 -0.106 -9.144 1.00 1.00 C ATOM 332 OG1 THR A 16 5.626 -0.370 -10.356 1.00 1.00 O ATOM 333 CG2 THR A 16 6.951 -1.401 -8.622 1.00 1.00 C ATOM 0 H THR A 16 5.258 2.218 -9.306 1.00 1.00 H new ATOM 0 HA THR A 16 4.645 -0.235 -7.845 1.00 1.00 H new ATOM 0 HB THR A 16 7.149 0.602 -9.339 1.00 1.00 H new ATOM 0 HG1 THR A 16 6.188 -0.142 -11.126 1.00 1.00 H new ATOM 0 HG21 THR A 16 7.618 -1.820 -9.375 1.00 1.00 H new ATOM 0 HG22 THR A 16 7.514 -1.198 -7.711 1.00 1.00 H new ATOM 0 HG23 THR A 16 6.156 -2.114 -8.405 1.00 1.00 H new ATOM 341 N MET A 17 5.644 0.588 -5.699 1.00 1.00 N ATOM 342 CA MET A 17 6.235 1.028 -4.448 1.00 1.00 C ATOM 343 C MET A 17 6.846 -0.136 -3.693 1.00 1.00 C ATOM 344 O MET A 17 6.272 -1.224 -3.632 1.00 1.00 O ATOM 345 CB MET A 17 5.191 1.722 -3.576 1.00 1.00 C ATOM 346 CG MET A 17 4.616 2.983 -4.201 1.00 1.00 C ATOM 347 SD MET A 17 5.855 4.273 -4.439 1.00 1.00 S ATOM 348 CE MET A 17 6.330 4.607 -2.744 1.00 1.00 C ATOM 0 H MET A 17 4.801 0.024 -5.595 1.00 1.00 H new ATOM 0 HA MET A 17 7.027 1.738 -4.687 1.00 1.00 H new ATOM 0 HB2 MET A 17 4.378 1.025 -3.372 1.00 1.00 H new ATOM 0 HB3 MET A 17 5.642 1.975 -2.616 1.00 1.00 H new ATOM 0 HG2 MET A 17 4.168 2.734 -5.163 1.00 1.00 H new ATOM 0 HG3 MET A 17 3.817 3.366 -3.566 1.00 1.00 H new ATOM 0 HE1 MET A 17 6.801 5.588 -2.685 1.00 1.00 H new ATOM 0 HE2 MET A 17 5.445 4.590 -2.108 1.00 1.00 H new ATOM 0 HE3 MET A 17 7.033 3.846 -2.407 1.00 1.00 H new ATOM 358 N GLN A 18 8.013 0.101 -3.125 1.00 1.00 N ATOM 359 CA GLN A 18 8.685 -0.902 -2.325 1.00 1.00 C ATOM 360 C GLN A 18 8.534 -0.571 -0.851 1.00 1.00 C ATOM 361 O GLN A 18 9.114 0.396 -0.351 1.00 1.00 O ATOM 362 CB GLN A 18 10.164 -1.001 -2.696 1.00 1.00 C ATOM 363 CG GLN A 18 10.399 -1.397 -4.144 1.00 1.00 C ATOM 364 CD GLN A 18 11.869 -1.539 -4.485 1.00 1.00 C ATOM 365 OE1 GLN A 18 12.709 -0.783 -3.804 1.00 1.00 O flip ATOM 366 NE2 GLN A 18 12.242 -2.319 -5.361 1.00 1.00 N flip ATOM 0 H GLN A 18 8.517 0.985 -3.204 1.00 1.00 H new ATOM 0 HA GLN A 18 8.223 -1.869 -2.526 1.00 1.00 H new ATOM 0 HB2 GLN A 18 10.643 -0.040 -2.508 1.00 1.00 H new ATOM 0 HB3 GLN A 18 10.646 -1.730 -2.045 1.00 1.00 H new ATOM 0 HG2 GLN A 18 9.892 -2.341 -4.344 1.00 1.00 H new ATOM 0 HG3 GLN A 18 9.950 -0.649 -4.798 1.00 1.00 H new ATOM 0 HE21 GLN A 18 11.559 -2.886 -5.864 1.00 1.00 H new ATOM 0 HE22 GLN A 18 13.234 -2.399 -5.584 1.00 1.00 H new ATOM 375 N PHE A 19 7.729 -1.366 -0.176 1.00 1.00 N ATOM 376 CA PHE A 19 7.512 -1.214 1.247 1.00 1.00 C ATOM 377 C PHE A 19 8.401 -2.194 1.989 1.00 1.00 C ATOM 378 O PHE A 19 9.178 -2.915 1.370 1.00 1.00 O ATOM 379 CB PHE A 19 6.045 -1.473 1.595 1.00 1.00 C ATOM 380 CG PHE A 19 5.079 -0.524 0.940 1.00 1.00 C ATOM 381 CD1 PHE A 19 4.906 0.756 1.440 1.00 1.00 C ATOM 382 CD2 PHE A 19 4.337 -0.914 -0.168 1.00 1.00 C ATOM 383 CE1 PHE A 19 4.014 1.632 0.851 1.00 1.00 C ATOM 384 CE2 PHE A 19 3.442 -0.042 -0.757 1.00 1.00 C ATOM 385 CZ PHE A 19 3.280 1.232 -0.247 1.00 1.00 C ATOM 0 H PHE A 19 7.208 -2.134 -0.598 1.00 1.00 H new ATOM 0 HA PHE A 19 7.759 -0.194 1.542 1.00 1.00 H new ATOM 0 HB2 PHE A 19 5.789 -2.492 1.305 1.00 1.00 H new ATOM 0 HB3 PHE A 19 5.923 -1.409 2.676 1.00 1.00 H new ATOM 0 HD1 PHE A 19 5.475 1.074 2.301 1.00 1.00 H new ATOM 0 HD2 PHE A 19 4.461 -1.908 -0.572 1.00 1.00 H new ATOM 0 HE1 PHE A 19 3.892 2.628 1.250 1.00 1.00 H new ATOM 0 HE2 PHE A 19 2.869 -0.356 -1.617 1.00 1.00 H new ATOM 0 HZ PHE A 19 2.580 1.914 -0.707 1.00 1.00 H new ATOM 395 N GLU A 20 8.305 -2.220 3.305 1.00 1.00 N ATOM 396 CA GLU A 20 9.086 -3.160 4.089 1.00 1.00 C ATOM 397 C GLU A 20 8.166 -4.110 4.843 1.00 1.00 C ATOM 398 O GLU A 20 7.046 -3.746 5.203 1.00 1.00 O ATOM 399 CB GLU A 20 10.015 -2.414 5.045 1.00 1.00 C ATOM 400 CG GLU A 20 11.033 -1.548 4.323 1.00 1.00 C ATOM 401 CD GLU A 20 12.097 -1.009 5.248 1.00 1.00 C ATOM 402 OE1 GLU A 20 13.077 -1.733 5.509 1.00 1.00 O ATOM 403 OE2 GLU A 20 11.958 0.136 5.722 1.00 1.00 O ATOM 0 H GLU A 20 7.699 -1.607 3.851 1.00 1.00 H new ATOM 0 HA GLU A 20 9.705 -3.753 3.416 1.00 1.00 H new ATOM 0 HB2 GLU A 20 9.419 -1.788 5.709 1.00 1.00 H new ATOM 0 HB3 GLU A 20 10.539 -3.136 5.672 1.00 1.00 H new ATOM 0 HG2 GLU A 20 11.505 -2.131 3.533 1.00 1.00 H new ATOM 0 HG3 GLU A 20 10.520 -0.716 3.841 1.00 1.00 H new ATOM 410 N PRO A 21 8.625 -5.349 5.086 1.00 1.00 N ATOM 411 CA PRO A 21 7.813 -6.402 5.711 1.00 1.00 C ATOM 412 C PRO A 21 7.570 -6.174 7.202 1.00 1.00 C ATOM 413 O PRO A 21 7.297 -7.117 7.940 1.00 1.00 O ATOM 414 CB PRO A 21 8.641 -7.680 5.496 1.00 1.00 C ATOM 415 CG PRO A 21 9.732 -7.303 4.550 1.00 1.00 C ATOM 416 CD PRO A 21 9.969 -5.837 4.757 1.00 1.00 C ATOM 0 HA PRO A 21 6.816 -6.439 5.272 1.00 1.00 H new ATOM 0 HB2 PRO A 21 9.049 -8.045 6.439 1.00 1.00 H new ATOM 0 HB3 PRO A 21 8.026 -8.480 5.084 1.00 1.00 H new ATOM 0 HG2 PRO A 21 10.637 -7.877 4.749 1.00 1.00 H new ATOM 0 HG3 PRO A 21 9.444 -7.510 3.519 1.00 1.00 H new ATOM 0 HD2 PRO A 21 10.679 -5.649 5.563 1.00 1.00 H new ATOM 0 HD3 PRO A 21 10.368 -5.359 3.862 1.00 1.00 H new ATOM 424 N SER A 22 7.674 -4.929 7.637 1.00 1.00 N ATOM 425 CA SER A 22 7.354 -4.567 9.008 1.00 1.00 C ATOM 426 C SER A 22 6.608 -3.237 9.040 1.00 1.00 C ATOM 427 O SER A 22 6.320 -2.696 10.107 1.00 1.00 O ATOM 428 CB SER A 22 8.629 -4.481 9.843 1.00 1.00 C ATOM 429 OG SER A 22 9.325 -5.720 9.840 1.00 1.00 O ATOM 0 H SER A 22 7.979 -4.148 7.057 1.00 1.00 H new ATOM 0 HA SER A 22 6.711 -5.338 9.434 1.00 1.00 H new ATOM 0 HB2 SER A 22 9.274 -3.696 9.448 1.00 1.00 H new ATOM 0 HB3 SER A 22 8.379 -4.203 10.867 1.00 1.00 H new ATOM 0 HG SER A 22 10.139 -5.639 10.380 1.00 1.00 H new ATOM 435 N THR A 23 6.283 -2.723 7.861 1.00 1.00 N ATOM 436 CA THR A 23 5.616 -1.438 7.742 1.00 1.00 C ATOM 437 C THR A 23 4.144 -1.547 8.132 1.00 1.00 C ATOM 438 O THR A 23 3.438 -2.454 7.682 1.00 1.00 O ATOM 439 CB THR A 23 5.729 -0.902 6.301 1.00 1.00 C ATOM 440 OG1 THR A 23 7.107 -0.867 5.903 1.00 1.00 O ATOM 441 CG2 THR A 23 5.128 0.491 6.181 1.00 1.00 C ATOM 0 H THR A 23 6.473 -3.181 6.970 1.00 1.00 H new ATOM 0 HA THR A 23 6.108 -0.744 8.423 1.00 1.00 H new ATOM 0 HB THR A 23 5.172 -1.572 5.646 1.00 1.00 H new ATOM 0 HG1 THR A 23 7.243 -0.141 5.259 1.00 1.00 H new ATOM 0 HG21 THR A 23 5.223 0.841 5.153 1.00 1.00 H new ATOM 0 HG22 THR A 23 4.074 0.458 6.457 1.00 1.00 H new ATOM 0 HG23 THR A 23 5.656 1.174 6.847 1.00 1.00 H new ATOM 449 N MET A 24 3.697 -0.633 8.989 1.00 1.00 N ATOM 450 CA MET A 24 2.290 -0.555 9.365 1.00 1.00 C ATOM 451 C MET A 24 1.478 -0.014 8.195 1.00 1.00 C ATOM 452 O MET A 24 1.970 0.808 7.424 1.00 1.00 O ATOM 453 CB MET A 24 2.098 0.358 10.579 1.00 1.00 C ATOM 454 CG MET A 24 2.784 -0.110 11.858 1.00 1.00 C ATOM 455 SD MET A 24 2.098 -1.640 12.525 1.00 1.00 S ATOM 456 CE MET A 24 3.117 -2.862 11.705 1.00 1.00 C ATOM 0 H MET A 24 4.291 0.065 9.437 1.00 1.00 H new ATOM 0 HA MET A 24 1.948 -1.557 9.625 1.00 1.00 H new ATOM 0 HB2 MET A 24 2.470 1.352 10.329 1.00 1.00 H new ATOM 0 HB3 MET A 24 1.030 0.457 10.774 1.00 1.00 H new ATOM 0 HG2 MET A 24 3.846 -0.254 11.659 1.00 1.00 H new ATOM 0 HG3 MET A 24 2.704 0.674 12.611 1.00 1.00 H new ATOM 0 HE1 MET A 24 3.128 -3.780 12.293 1.00 1.00 H new ATOM 0 HE2 MET A 24 2.711 -3.070 10.715 1.00 1.00 H new ATOM 0 HE3 MET A 24 4.134 -2.481 11.607 1.00 1.00 H new ATOM 466 N VAL A 25 0.239 -0.462 8.071 1.00 1.00 N ATOM 467 CA VAL A 25 -0.625 -0.038 6.975 1.00 1.00 C ATOM 468 C VAL A 25 -0.849 1.478 6.984 1.00 1.00 C ATOM 469 O VAL A 25 -0.783 2.123 5.937 1.00 1.00 O ATOM 470 CB VAL A 25 -1.980 -0.776 7.011 1.00 1.00 C ATOM 471 CG1 VAL A 25 -2.948 -0.202 5.988 1.00 1.00 C ATOM 472 CG2 VAL A 25 -1.774 -2.264 6.768 1.00 1.00 C ATOM 0 H VAL A 25 -0.194 -1.122 8.717 1.00 1.00 H new ATOM 0 HA VAL A 25 -0.113 -0.299 6.049 1.00 1.00 H new ATOM 0 HB VAL A 25 -2.416 -0.635 8.000 1.00 1.00 H new ATOM 0 HG11 VAL A 25 -3.893 -0.743 6.038 1.00 1.00 H new ATOM 0 HG12 VAL A 25 -3.122 0.852 6.203 1.00 1.00 H new ATOM 0 HG13 VAL A 25 -2.524 -0.304 4.989 1.00 1.00 H new ATOM 0 HG21 VAL A 25 -2.737 -2.774 6.796 1.00 1.00 H new ATOM 0 HG22 VAL A 25 -1.313 -2.413 5.792 1.00 1.00 H new ATOM 0 HG23 VAL A 25 -1.125 -2.673 7.542 1.00 1.00 H new ATOM 482 N TYR A 26 -1.083 2.054 8.164 1.00 1.00 N ATOM 483 CA TYR A 26 -1.319 3.495 8.267 1.00 1.00 C ATOM 484 C TYR A 26 -0.065 4.266 7.885 1.00 1.00 C ATOM 485 O TYR A 26 -0.133 5.412 7.439 1.00 1.00 O ATOM 486 CB TYR A 26 -1.769 3.889 9.684 1.00 1.00 C ATOM 487 CG TYR A 26 -0.657 4.011 10.709 1.00 1.00 C ATOM 488 CD1 TYR A 26 -0.237 2.913 11.447 1.00 1.00 C ATOM 489 CD2 TYR A 26 -0.041 5.235 10.949 1.00 1.00 C ATOM 490 CE1 TYR A 26 0.763 3.029 12.393 1.00 1.00 C ATOM 491 CE2 TYR A 26 0.962 5.357 11.889 1.00 1.00 C ATOM 492 CZ TYR A 26 1.359 4.252 12.609 1.00 1.00 C ATOM 493 OH TYR A 26 2.352 4.372 13.552 1.00 1.00 O ATOM 0 H TYR A 26 -1.114 1.553 9.052 1.00 1.00 H new ATOM 0 HA TYR A 26 -2.120 3.751 7.574 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -2.295 4.842 9.628 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -2.487 3.149 10.038 1.00 1.00 H new ATOM 0 HD1 TYR A 26 -0.700 1.952 11.279 1.00 1.00 H new ATOM 0 HD2 TYR A 26 -0.353 6.105 10.390 1.00 1.00 H new ATOM 0 HE1 TYR A 26 1.076 2.165 12.960 1.00 1.00 H new ATOM 0 HE2 TYR A 26 1.433 6.314 12.059 1.00 1.00 H new ATOM 0 HH TYR A 26 2.667 5.300 13.579 1.00 1.00 H new ATOM 503 N ASP A 27 1.077 3.632 8.058 1.00 1.00 N ATOM 504 CA ASP A 27 2.343 4.258 7.705 1.00 1.00 C ATOM 505 C ASP A 27 2.585 4.113 6.211 1.00 1.00 C ATOM 506 O ASP A 27 2.978 5.063 5.539 1.00 1.00 O ATOM 507 CB ASP A 27 3.504 3.652 8.494 1.00 1.00 C ATOM 508 CG ASP A 27 4.812 4.371 8.224 1.00 1.00 C ATOM 509 OD1 ASP A 27 5.049 5.435 8.837 1.00 1.00 O ATOM 510 OD2 ASP A 27 5.607 3.883 7.398 1.00 1.00 O ATOM 0 H ASP A 27 1.159 2.689 8.438 1.00 1.00 H new ATOM 0 HA ASP A 27 2.287 5.316 7.962 1.00 1.00 H new ATOM 0 HB2 ASP A 27 3.280 3.696 9.560 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.609 2.599 8.233 1.00 1.00 H new ATOM 515 N ALA A 28 2.310 2.919 5.698 1.00 1.00 N ATOM 516 CA ALA A 28 2.466 2.625 4.280 1.00 1.00 C ATOM 517 C ALA A 28 1.576 3.524 3.430 1.00 1.00 C ATOM 518 O ALA A 28 1.990 3.997 2.371 1.00 1.00 O ATOM 519 CB ALA A 28 2.147 1.163 4.009 1.00 1.00 C ATOM 0 H ALA A 28 1.974 2.131 6.252 1.00 1.00 H new ATOM 0 HA ALA A 28 3.503 2.820 4.006 1.00 1.00 H new ATOM 0 HB1 ALA A 28 2.267 0.955 2.946 1.00 1.00 H new ATOM 0 HB2 ALA A 28 2.826 0.530 4.581 1.00 1.00 H new ATOM 0 HB3 ALA A 28 1.119 0.954 4.306 1.00 1.00 H new ATOM 525 N CYS A 29 0.356 3.765 3.899 1.00 1.00 N ATOM 526 CA CYS A 29 -0.570 4.623 3.175 1.00 1.00 C ATOM 527 C CYS A 29 -0.049 6.059 3.156 1.00 1.00 C ATOM 528 O CYS A 29 -0.266 6.804 2.198 1.00 1.00 O ATOM 529 CB CYS A 29 -1.975 4.558 3.793 1.00 1.00 C ATOM 530 SG CYS A 29 -2.171 5.446 5.356 1.00 1.00 S ATOM 0 H CYS A 29 -0.011 3.381 4.770 1.00 1.00 H new ATOM 0 HA CYS A 29 -0.643 4.266 2.148 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -2.690 4.959 3.074 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -2.236 3.512 3.953 1.00 1.00 H new ATOM 0 HG CYS A 29 -1.020 5.529 5.955 1.00 1.00 H new ATOM 536 N ARG A 30 0.671 6.436 4.205 1.00 1.00 N ATOM 537 CA ARG A 30 1.233 7.770 4.281 1.00 1.00 C ATOM 538 C ARG A 30 2.472 7.861 3.402 1.00 1.00 C ATOM 539 O ARG A 30 2.728 8.894 2.789 1.00 1.00 O ATOM 540 CB ARG A 30 1.571 8.151 5.720 1.00 1.00 C ATOM 541 CG ARG A 30 1.956 9.611 5.868 1.00 1.00 C ATOM 542 CD ARG A 30 2.230 9.984 7.311 1.00 1.00 C ATOM 543 NE ARG A 30 2.478 11.416 7.461 1.00 1.00 N ATOM 544 CZ ARG A 30 2.309 12.083 8.603 1.00 1.00 C ATOM 545 NH1 ARG A 30 1.912 11.443 9.698 1.00 1.00 N ATOM 546 NH2 ARG A 30 2.541 13.387 8.649 1.00 1.00 N ATOM 0 H ARG A 30 0.876 5.839 5.007 1.00 1.00 H new ATOM 0 HA ARG A 30 0.485 8.476 3.920 1.00 1.00 H new ATOM 0 HB2 ARG A 30 0.713 7.940 6.358 1.00 1.00 H new ATOM 0 HB3 ARG A 30 2.391 7.526 6.073 1.00 1.00 H new ATOM 0 HG2 ARG A 30 2.842 9.815 5.267 1.00 1.00 H new ATOM 0 HG3 ARG A 30 1.155 10.238 5.478 1.00 1.00 H new ATOM 0 HD2 ARG A 30 1.380 9.695 7.929 1.00 1.00 H new ATOM 0 HD3 ARG A 30 3.093 9.425 7.674 1.00 1.00 H new ATOM 0 HE ARG A 30 2.799 11.936 6.644 1.00 1.00 H new ATOM 0 HH11 ARG A 30 1.736 10.439 9.666 1.00 1.00 H new ATOM 0 HH12 ARG A 30 1.784 11.956 10.570 1.00 1.00 H new ATOM 0 HH21 ARG A 30 2.849 13.880 7.811 1.00 1.00 H new ATOM 0 HH22 ARG A 30 2.412 13.897 9.523 1.00 1.00 H new ATOM 560 N MET A 31 3.226 6.765 3.327 1.00 1.00 N ATOM 561 CA MET A 31 4.391 6.694 2.450 1.00 1.00 C ATOM 562 C MET A 31 4.007 7.095 1.032 1.00 1.00 C ATOM 563 O MET A 31 4.768 7.775 0.344 1.00 1.00 O ATOM 564 CB MET A 31 4.999 5.287 2.441 1.00 1.00 C ATOM 565 CG MET A 31 5.679 4.892 3.745 1.00 1.00 C ATOM 566 SD MET A 31 6.452 3.261 3.659 1.00 1.00 S ATOM 567 CE MET A 31 7.636 3.513 2.337 1.00 1.00 C ATOM 0 H MET A 31 3.050 5.915 3.863 1.00 1.00 H new ATOM 0 HA MET A 31 5.139 7.387 2.835 1.00 1.00 H new ATOM 0 HB2 MET A 31 4.213 4.565 2.221 1.00 1.00 H new ATOM 0 HB3 MET A 31 5.726 5.223 1.631 1.00 1.00 H new ATOM 0 HG2 MET A 31 6.435 5.636 3.996 1.00 1.00 H new ATOM 0 HG3 MET A 31 4.945 4.900 4.550 1.00 1.00 H new ATOM 0 HE1 MET A 31 8.442 2.785 2.427 1.00 1.00 H new ATOM 0 HE2 MET A 31 7.139 3.388 1.375 1.00 1.00 H new ATOM 0 HE3 MET A 31 8.048 4.520 2.404 1.00 1.00 H new ATOM 577 N ILE A 32 2.815 6.686 0.610 1.00 1.00 N ATOM 578 CA ILE A 32 2.316 7.045 -0.706 1.00 1.00 C ATOM 579 C ILE A 32 2.147 8.554 -0.836 1.00 1.00 C ATOM 580 O ILE A 32 2.727 9.163 -1.725 1.00 1.00 O ATOM 581 CB ILE A 32 0.974 6.349 -1.037 1.00 1.00 C ATOM 582 CG1 ILE A 32 1.158 4.831 -1.089 1.00 1.00 C ATOM 583 CG2 ILE A 32 0.425 6.868 -2.362 1.00 1.00 C ATOM 584 CD1 ILE A 32 2.136 4.386 -2.149 1.00 1.00 C ATOM 0 H ILE A 32 2.181 6.108 1.161 1.00 1.00 H new ATOM 0 HA ILE A 32 3.063 6.700 -1.421 1.00 1.00 H new ATOM 0 HB ILE A 32 0.257 6.580 -0.250 1.00 1.00 H new ATOM 0 HG12 ILE A 32 1.502 4.480 -0.116 1.00 1.00 H new ATOM 0 HG13 ILE A 32 0.192 4.361 -1.274 1.00 1.00 H new ATOM 0 HG21 ILE A 32 -0.519 6.371 -2.584 1.00 1.00 H new ATOM 0 HG22 ILE A 32 0.261 7.943 -2.292 1.00 1.00 H new ATOM 0 HG23 ILE A 32 1.140 6.661 -3.158 1.00 1.00 H new ATOM 0 HD11 ILE A 32 2.221 3.299 -2.133 1.00 1.00 H new ATOM 0 HD12 ILE A 32 1.782 4.708 -3.128 1.00 1.00 H new ATOM 0 HD13 ILE A 32 3.112 4.829 -1.952 1.00 1.00 H new ATOM 596 N ARG A 33 1.388 9.157 0.071 1.00 1.00 N ATOM 597 CA ARG A 33 1.046 10.573 -0.050 1.00 1.00 C ATOM 598 C ARG A 33 2.258 11.485 0.159 1.00 1.00 C ATOM 599 O ARG A 33 2.316 12.577 -0.404 1.00 1.00 O ATOM 600 CB ARG A 33 -0.079 10.947 0.918 1.00 1.00 C ATOM 601 CG ARG A 33 0.230 10.674 2.380 1.00 1.00 C ATOM 602 CD ARG A 33 -0.921 11.101 3.270 1.00 1.00 C ATOM 603 NE ARG A 33 -2.181 10.474 2.873 1.00 1.00 N ATOM 604 CZ ARG A 33 -3.328 11.136 2.731 1.00 1.00 C ATOM 605 NH1 ARG A 33 -3.386 12.443 2.968 1.00 1.00 N ATOM 606 NH2 ARG A 33 -4.421 10.482 2.366 1.00 1.00 N ATOM 0 H ARG A 33 0.999 8.694 0.893 1.00 1.00 H new ATOM 0 HA ARG A 33 0.698 10.727 -1.071 1.00 1.00 H new ATOM 0 HB2 ARG A 33 -0.306 12.007 0.800 1.00 1.00 H new ATOM 0 HB3 ARG A 33 -0.978 10.396 0.641 1.00 1.00 H new ATOM 0 HG2 ARG A 33 0.428 9.611 2.521 1.00 1.00 H new ATOM 0 HG3 ARG A 33 1.135 11.208 2.669 1.00 1.00 H new ATOM 0 HD2 ARG A 33 -0.696 10.840 4.304 1.00 1.00 H new ATOM 0 HD3 ARG A 33 -1.027 12.185 3.231 1.00 1.00 H new ATOM 0 HE ARG A 33 -2.182 9.470 2.694 1.00 1.00 H new ATOM 0 HH11 ARG A 33 -2.548 12.946 3.261 1.00 1.00 H new ATOM 0 HH12 ARG A 33 -4.268 12.943 2.857 1.00 1.00 H new ATOM 0 HH21 ARG A 33 -4.381 9.477 2.195 1.00 1.00 H new ATOM 0 HH22 ARG A 33 -5.302 10.983 2.256 1.00 1.00 H new ATOM 620 N GLU A 34 3.221 11.043 0.964 1.00 1.00 N ATOM 621 CA GLU A 34 4.425 11.835 1.203 1.00 1.00 C ATOM 622 C GLU A 34 5.223 12.009 -0.091 1.00 1.00 C ATOM 623 O GLU A 34 5.621 13.120 -0.444 1.00 1.00 O ATOM 624 CB GLU A 34 5.314 11.185 2.269 1.00 1.00 C ATOM 625 CG GLU A 34 4.650 11.028 3.630 1.00 1.00 C ATOM 626 CD GLU A 34 4.148 12.335 4.208 1.00 1.00 C ATOM 627 OE1 GLU A 34 4.910 13.322 4.216 1.00 1.00 O ATOM 628 OE2 GLU A 34 2.989 12.383 4.662 1.00 1.00 O ATOM 0 H GLU A 34 3.193 10.151 1.457 1.00 1.00 H new ATOM 0 HA GLU A 34 4.107 12.813 1.563 1.00 1.00 H new ATOM 0 HB2 GLU A 34 5.626 10.203 1.915 1.00 1.00 H new ATOM 0 HB3 GLU A 34 6.217 11.784 2.386 1.00 1.00 H new ATOM 0 HG2 GLU A 34 3.814 10.334 3.541 1.00 1.00 H new ATOM 0 HG3 GLU A 34 5.362 10.582 4.324 1.00 1.00 H new ATOM 635 N ARG A 35 5.433 10.908 -0.806 1.00 1.00 N ATOM 636 CA ARG A 35 6.233 10.935 -2.028 1.00 1.00 C ATOM 637 C ARG A 35 5.369 11.289 -3.233 1.00 1.00 C ATOM 638 O ARG A 35 5.717 12.161 -4.027 1.00 1.00 O ATOM 639 CB ARG A 35 6.913 9.581 -2.283 1.00 1.00 C ATOM 640 CG ARG A 35 8.073 9.252 -1.351 1.00 1.00 C ATOM 641 CD ARG A 35 7.604 8.958 0.063 1.00 1.00 C ATOM 642 NE ARG A 35 8.677 8.441 0.908 1.00 1.00 N ATOM 643 CZ ARG A 35 8.525 8.149 2.200 1.00 1.00 C ATOM 644 NH1 ARG A 35 7.352 8.353 2.792 1.00 1.00 N ATOM 645 NH2 ARG A 35 9.540 7.651 2.892 1.00 1.00 N ATOM 0 H ARG A 35 5.063 9.989 -0.563 1.00 1.00 H new ATOM 0 HA ARG A 35 7.000 11.697 -1.891 1.00 1.00 H new ATOM 0 HB2 ARG A 35 6.164 8.794 -2.196 1.00 1.00 H new ATOM 0 HB3 ARG A 35 7.277 9.563 -3.310 1.00 1.00 H new ATOM 0 HG2 ARG A 35 8.616 8.390 -1.739 1.00 1.00 H new ATOM 0 HG3 ARG A 35 8.772 10.088 -1.334 1.00 1.00 H new ATOM 0 HD2 ARG A 35 7.202 9.869 0.507 1.00 1.00 H new ATOM 0 HD3 ARG A 35 6.790 8.234 0.030 1.00 1.00 H new ATOM 0 HE ARG A 35 9.594 8.295 0.486 1.00 1.00 H new ATOM 0 HH11 ARG A 35 6.570 8.732 2.258 1.00 1.00 H new ATOM 0 HH12 ARG A 35 7.234 8.130 3.780 1.00 1.00 H new ATOM 0 HH21 ARG A 35 10.438 7.491 2.436 1.00 1.00 H new ATOM 0 HH22 ARG A 35 9.423 7.428 3.880 1.00 1.00 H new ATOM 659 N ILE A 36 4.241 10.609 -3.350 1.00 1.00 N ATOM 660 CA ILE A 36 3.365 10.741 -4.504 1.00 1.00 C ATOM 661 C ILE A 36 2.245 11.734 -4.201 1.00 1.00 C ATOM 662 O ILE A 36 1.557 11.610 -3.189 1.00 1.00 O ATOM 663 CB ILE A 36 2.753 9.370 -4.874 1.00 1.00 C ATOM 664 CG1 ILE A 36 3.838 8.289 -4.868 1.00 1.00 C ATOM 665 CG2 ILE A 36 2.079 9.430 -6.237 1.00 1.00 C ATOM 666 CD1 ILE A 36 3.295 6.884 -4.998 1.00 1.00 C ATOM 0 H ILE A 36 3.906 9.949 -2.648 1.00 1.00 H new ATOM 0 HA ILE A 36 3.954 11.107 -5.345 1.00 1.00 H new ATOM 0 HB ILE A 36 1.998 9.119 -4.129 1.00 1.00 H new ATOM 0 HG12 ILE A 36 4.532 8.478 -5.687 1.00 1.00 H new ATOM 0 HG13 ILE A 36 4.409 8.364 -3.943 1.00 1.00 H new ATOM 0 HG21 ILE A 36 1.656 8.455 -6.477 1.00 1.00 H new ATOM 0 HG22 ILE A 36 1.284 10.176 -6.217 1.00 1.00 H new ATOM 0 HG23 ILE A 36 2.814 9.703 -6.995 1.00 1.00 H new ATOM 0 HD11 ILE A 36 4.121 6.172 -4.986 1.00 1.00 H new ATOM 0 HD12 ILE A 36 2.624 6.675 -4.165 1.00 1.00 H new ATOM 0 HD13 ILE A 36 2.749 6.790 -5.937 1.00 1.00 H new ATOM 678 N PRO A 37 2.028 12.722 -5.083 1.00 1.00 N ATOM 679 CA PRO A 37 1.040 13.785 -4.857 1.00 1.00 C ATOM 680 C PRO A 37 -0.381 13.289 -5.058 1.00 1.00 C ATOM 681 O PRO A 37 -1.345 13.934 -4.649 1.00 1.00 O ATOM 682 CB PRO A 37 1.387 14.793 -5.947 1.00 1.00 C ATOM 683 CG PRO A 37 1.844 13.926 -7.060 1.00 1.00 C ATOM 684 CD PRO A 37 2.698 12.881 -6.392 1.00 1.00 C ATOM 0 HA PRO A 37 1.076 14.180 -3.842 1.00 1.00 H new ATOM 0 HB2 PRO A 37 0.524 15.395 -6.231 1.00 1.00 H new ATOM 0 HB3 PRO A 37 2.166 15.484 -5.626 1.00 1.00 H new ATOM 0 HG2 PRO A 37 1.002 13.475 -7.585 1.00 1.00 H new ATOM 0 HG3 PRO A 37 2.413 14.492 -7.798 1.00 1.00 H new ATOM 0 HD2 PRO A 37 2.717 11.949 -6.956 1.00 1.00 H new ATOM 0 HD3 PRO A 37 3.732 13.208 -6.283 1.00 1.00 H new ATOM 692 N GLU A 38 -0.492 12.131 -5.693 1.00 1.00 N ATOM 693 CA GLU A 38 -1.776 11.591 -6.090 1.00 1.00 C ATOM 694 C GLU A 38 -2.677 11.355 -4.881 1.00 1.00 C ATOM 695 O GLU A 38 -3.874 11.633 -4.917 1.00 1.00 O ATOM 696 CB GLU A 38 -1.589 10.279 -6.853 1.00 1.00 C ATOM 697 CG GLU A 38 -0.753 10.417 -8.113 1.00 1.00 C ATOM 698 CD GLU A 38 -1.313 11.437 -9.076 1.00 1.00 C ATOM 699 OE1 GLU A 38 -2.508 11.343 -9.420 1.00 1.00 O ATOM 700 OE2 GLU A 38 -0.555 12.334 -9.501 1.00 1.00 O ATOM 0 H GLU A 38 0.304 11.545 -5.945 1.00 1.00 H new ATOM 0 HA GLU A 38 -2.255 12.324 -6.740 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -1.118 9.550 -6.194 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -2.568 9.882 -7.120 1.00 1.00 H new ATOM 0 HG2 GLU A 38 0.263 10.701 -7.840 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -0.691 9.449 -8.611 1.00 1.00 H new ATOM 707 N ALA A 39 -2.086 10.852 -3.802 1.00 1.00 N ATOM 708 CA ALA A 39 -2.844 10.493 -2.610 1.00 1.00 C ATOM 709 C ALA A 39 -3.169 11.705 -1.742 1.00 1.00 C ATOM 710 O ALA A 39 -3.874 11.589 -0.737 1.00 1.00 O ATOM 711 CB ALA A 39 -2.075 9.465 -1.804 1.00 1.00 C ATOM 0 H ALA A 39 -1.083 10.684 -3.729 1.00 1.00 H new ATOM 0 HA ALA A 39 -3.793 10.070 -2.940 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -2.645 9.200 -0.914 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -1.913 8.574 -2.410 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -1.112 9.881 -1.507 1.00 1.00 H new ATOM 717 N LEU A 40 -2.660 12.863 -2.126 1.00 1.00 N ATOM 718 CA LEU A 40 -2.882 14.079 -1.360 1.00 1.00 C ATOM 719 C LEU A 40 -4.182 14.750 -1.778 1.00 1.00 C ATOM 720 O LEU A 40 -4.240 15.454 -2.787 1.00 1.00 O ATOM 721 CB LEU A 40 -1.702 15.035 -1.521 1.00 1.00 C ATOM 722 CG LEU A 40 -0.409 14.565 -0.857 1.00 1.00 C ATOM 723 CD1 LEU A 40 0.752 15.451 -1.265 1.00 1.00 C ATOM 724 CD2 LEU A 40 -0.564 14.559 0.657 1.00 1.00 C ATOM 0 H LEU A 40 -2.090 12.988 -2.963 1.00 1.00 H new ATOM 0 HA LEU A 40 -2.964 13.811 -0.307 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -1.515 15.185 -2.584 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -1.977 16.004 -1.105 1.00 1.00 H new ATOM 0 HG LEU A 40 -0.200 13.548 -1.190 1.00 1.00 H new ATOM 0 HD11 LEU A 40 1.664 15.101 -0.782 1.00 1.00 H new ATOM 0 HD12 LEU A 40 0.876 15.412 -2.347 1.00 1.00 H new ATOM 0 HD13 LEU A 40 0.551 16.478 -0.959 1.00 1.00 H new ATOM 0 HD21 LEU A 40 0.365 14.222 1.117 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -0.795 15.566 1.003 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -1.373 13.884 0.937 1.00 1.00 H new ATOM 736 N ALA A 41 -5.226 14.493 -1.007 1.00 1.00 N ATOM 737 CA ALA A 41 -6.538 15.067 -1.254 1.00 1.00 C ATOM 738 C ALA A 41 -7.328 15.101 0.043 1.00 1.00 C ATOM 739 O ALA A 41 -7.751 16.160 0.505 1.00 1.00 O ATOM 740 CB ALA A 41 -7.283 14.264 -2.311 1.00 1.00 C ATOM 0 H ALA A 41 -5.187 13.880 -0.192 1.00 1.00 H new ATOM 0 HA ALA A 41 -6.417 16.084 -1.626 1.00 1.00 H new ATOM 0 HB1 ALA A 41 -8.263 14.709 -2.482 1.00 1.00 H new ATOM 0 HB2 ALA A 41 -6.714 14.270 -3.241 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -7.406 13.237 -1.968 1.00 1.00 H new ATOM 746 N GLY A 42 -7.517 13.928 0.622 1.00 1.00 N ATOM 747 CA GLY A 42 -8.155 13.824 1.915 1.00 1.00 C ATOM 748 C GLY A 42 -7.230 13.172 2.916 1.00 1.00 C ATOM 749 O GLY A 42 -6.310 12.454 2.517 1.00 1.00 O ATOM 0 H GLY A 42 -7.236 13.036 0.214 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -8.439 14.816 2.267 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -9.073 13.242 1.828 1.00 1.00 H new ATOM 753 N PRO A 43 -7.436 13.409 4.216 1.00 1.00 N ATOM 754 CA PRO A 43 -6.573 12.867 5.269 1.00 1.00 C ATOM 755 C PRO A 43 -6.544 11.354 5.280 1.00 1.00 C ATOM 756 O PRO A 43 -7.465 10.690 4.802 1.00 1.00 O ATOM 757 CB PRO A 43 -7.177 13.422 6.567 1.00 1.00 C ATOM 758 CG PRO A 43 -8.028 14.569 6.142 1.00 1.00 C ATOM 759 CD PRO A 43 -8.530 14.221 4.771 1.00 1.00 C ATOM 0 HA PRO A 43 -5.532 13.157 5.124 1.00 1.00 H new ATOM 0 HB2 PRO A 43 -7.767 12.664 7.083 1.00 1.00 H new ATOM 0 HB3 PRO A 43 -6.398 13.744 7.258 1.00 1.00 H new ATOM 0 HG2 PRO A 43 -8.856 14.719 6.835 1.00 1.00 H new ATOM 0 HG3 PRO A 43 -7.455 15.496 6.125 1.00 1.00 H new ATOM 0 HD2 PRO A 43 -9.466 13.663 4.813 1.00 1.00 H new ATOM 0 HD3 PRO A 43 -8.716 15.112 4.171 1.00 1.00 H new ATOM 767 N PRO A 44 -5.464 10.791 5.835 1.00 1.00 N ATOM 768 CA PRO A 44 -5.197 9.363 5.764 1.00 1.00 C ATOM 769 C PRO A 44 -6.210 8.512 6.534 1.00 1.00 C ATOM 770 O PRO A 44 -6.130 7.286 6.527 1.00 1.00 O ATOM 771 CB PRO A 44 -3.796 9.207 6.374 1.00 1.00 C ATOM 772 CG PRO A 44 -3.227 10.584 6.421 1.00 1.00 C ATOM 773 CD PRO A 44 -4.400 11.508 6.556 1.00 1.00 C ATOM 0 HA PRO A 44 -5.269 9.011 4.735 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -3.848 8.770 7.371 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -3.176 8.546 5.768 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -2.543 10.696 7.262 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -2.659 10.803 5.517 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -4.663 11.678 7.600 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -4.199 12.484 6.115 1.00 1.00 H new ATOM 781 N ASN A 45 -7.142 9.169 7.208 1.00 1.00 N ATOM 782 CA ASN A 45 -8.132 8.477 8.021 1.00 1.00 C ATOM 783 C ASN A 45 -9.253 7.903 7.157 1.00 1.00 C ATOM 784 O ASN A 45 -9.651 6.749 7.328 1.00 1.00 O ATOM 785 CB ASN A 45 -8.717 9.427 9.070 1.00 1.00 C ATOM 786 CG ASN A 45 -7.670 9.932 10.044 1.00 1.00 C ATOM 787 OD1 ASN A 45 -6.718 9.225 10.380 1.00 1.00 O ATOM 788 ND2 ASN A 45 -7.824 11.168 10.487 1.00 1.00 N ATOM 0 H ASN A 45 -7.234 10.185 7.208 1.00 1.00 H new ATOM 0 HA ASN A 45 -7.631 7.650 8.525 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -9.181 10.276 8.568 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -9.504 8.913 9.622 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -7.141 11.568 11.130 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -8.626 11.722 10.185 1.00 1.00 H new ATOM 795 N ASP A 46 -9.762 8.701 6.225 1.00 1.00 N ATOM 796 CA ASP A 46 -10.860 8.252 5.375 1.00 1.00 C ATOM 797 C ASP A 46 -10.332 7.684 4.063 1.00 1.00 C ATOM 798 O ASP A 46 -11.097 7.198 3.234 1.00 1.00 O ATOM 799 CB ASP A 46 -11.870 9.377 5.121 1.00 1.00 C ATOM 800 CG ASP A 46 -11.448 10.358 4.046 1.00 1.00 C ATOM 801 OD1 ASP A 46 -10.671 11.284 4.353 1.00 1.00 O ATOM 802 OD2 ASP A 46 -11.941 10.241 2.904 1.00 1.00 O ATOM 0 H ASP A 46 -9.438 9.650 6.040 1.00 1.00 H new ATOM 0 HA ASP A 46 -11.384 7.456 5.904 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -12.826 8.935 4.839 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -12.032 9.922 6.051 1.00 1.00 H new ATOM 807 N PHE A 47 -9.023 7.750 3.885 1.00 1.00 N ATOM 808 CA PHE A 47 -8.359 7.062 2.787 1.00 1.00 C ATOM 809 C PHE A 47 -7.729 5.781 3.310 1.00 1.00 C ATOM 810 O PHE A 47 -7.228 5.751 4.431 1.00 1.00 O ATOM 811 CB PHE A 47 -7.292 7.952 2.150 1.00 1.00 C ATOM 812 CG PHE A 47 -7.832 8.915 1.131 1.00 1.00 C ATOM 813 CD1 PHE A 47 -8.677 9.945 1.506 1.00 1.00 C ATOM 814 CD2 PHE A 47 -7.489 8.786 -0.205 1.00 1.00 C ATOM 815 CE1 PHE A 47 -9.172 10.828 0.566 1.00 1.00 C ATOM 816 CE2 PHE A 47 -7.980 9.667 -1.149 1.00 1.00 C ATOM 817 CZ PHE A 47 -8.823 10.689 -0.763 1.00 1.00 C ATOM 0 H PHE A 47 -8.394 8.277 4.491 1.00 1.00 H new ATOM 0 HA PHE A 47 -9.097 6.823 2.021 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -6.786 8.514 2.935 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -6.541 7.320 1.676 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -8.952 10.060 2.544 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -6.830 7.987 -0.512 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -9.832 11.627 0.870 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -7.705 9.556 -2.187 1.00 1.00 H new ATOM 0 HZ PHE A 47 -9.209 11.379 -1.499 1.00 1.00 H new ATOM 827 N GLY A 48 -7.757 4.723 2.518 1.00 1.00 N ATOM 828 CA GLY A 48 -7.258 3.453 2.999 1.00 1.00 C ATOM 829 C GLY A 48 -6.646 2.600 1.911 1.00 1.00 C ATOM 830 O GLY A 48 -6.875 2.828 0.721 1.00 1.00 O ATOM 0 H GLY A 48 -8.112 4.718 1.562 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -6.512 3.633 3.773 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -8.075 2.903 3.466 1.00 1.00 H new ATOM 834 N LEU A 49 -5.861 1.620 2.330 1.00 1.00 N ATOM 835 CA LEU A 49 -5.236 0.687 1.412 1.00 1.00 C ATOM 836 C LEU A 49 -6.180 -0.471 1.127 1.00 1.00 C ATOM 837 O LEU A 49 -6.426 -1.319 1.987 1.00 1.00 O ATOM 838 CB LEU A 49 -3.916 0.167 1.991 1.00 1.00 C ATOM 839 CG LEU A 49 -2.821 1.222 2.174 1.00 1.00 C ATOM 840 CD1 LEU A 49 -1.609 0.621 2.868 1.00 1.00 C ATOM 841 CD2 LEU A 49 -2.417 1.810 0.831 1.00 1.00 C ATOM 0 H LEU A 49 -5.641 1.451 3.312 1.00 1.00 H new ATOM 0 HA LEU A 49 -5.020 1.206 0.478 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -4.119 -0.294 2.958 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -3.536 -0.618 1.337 1.00 1.00 H new ATOM 0 HG LEU A 49 -3.219 2.021 2.800 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -0.842 1.386 2.989 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -1.901 0.242 3.847 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -1.213 -0.197 2.266 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -1.638 2.558 0.981 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -2.040 1.017 0.185 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -3.283 2.277 0.363 1.00 1.00 H new ATOM 853 N PHE A 50 -6.718 -0.490 -0.076 1.00 1.00 N ATOM 854 CA PHE A 50 -7.654 -1.520 -0.482 1.00 1.00 C ATOM 855 C PHE A 50 -6.921 -2.611 -1.244 1.00 1.00 C ATOM 856 O PHE A 50 -6.343 -2.359 -2.298 1.00 1.00 O ATOM 857 CB PHE A 50 -8.757 -0.904 -1.352 1.00 1.00 C ATOM 858 CG PHE A 50 -9.773 -1.888 -1.861 1.00 1.00 C ATOM 859 CD1 PHE A 50 -10.754 -2.388 -1.022 1.00 1.00 C ATOM 860 CD2 PHE A 50 -9.751 -2.303 -3.183 1.00 1.00 C ATOM 861 CE1 PHE A 50 -11.693 -3.285 -1.490 1.00 1.00 C ATOM 862 CE2 PHE A 50 -10.688 -3.200 -3.657 1.00 1.00 C ATOM 863 CZ PHE A 50 -11.660 -3.692 -2.810 1.00 1.00 C ATOM 0 H PHE A 50 -6.520 0.204 -0.797 1.00 1.00 H new ATOM 0 HA PHE A 50 -8.113 -1.962 0.403 1.00 1.00 H new ATOM 0 HB2 PHE A 50 -9.271 -0.136 -0.774 1.00 1.00 H new ATOM 0 HB3 PHE A 50 -8.294 -0.406 -2.204 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -10.785 -2.073 0.010 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -8.993 -1.921 -3.850 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -12.453 -3.668 -0.825 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -10.660 -3.516 -4.689 1.00 1.00 H new ATOM 0 HZ PHE A 50 -12.394 -4.394 -3.178 1.00 1.00 H new ATOM 873 N LEU A 51 -6.919 -3.813 -0.700 1.00 1.00 N ATOM 874 CA LEU A 51 -6.299 -4.937 -1.374 1.00 1.00 C ATOM 875 C LEU A 51 -7.203 -5.369 -2.519 1.00 1.00 C ATOM 876 O LEU A 51 -8.218 -6.030 -2.305 1.00 1.00 O ATOM 877 CB LEU A 51 -6.053 -6.087 -0.382 1.00 1.00 C ATOM 878 CG LEU A 51 -5.107 -7.200 -0.857 1.00 1.00 C ATOM 879 CD1 LEU A 51 -4.584 -7.986 0.334 1.00 1.00 C ATOM 880 CD2 LEU A 51 -5.811 -8.140 -1.825 1.00 1.00 C ATOM 0 H LEU A 51 -7.338 -4.036 0.203 1.00 1.00 H new ATOM 0 HA LEU A 51 -5.328 -4.648 -1.776 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -5.651 -5.665 0.539 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -7.014 -6.537 -0.133 1.00 1.00 H new ATOM 0 HG LEU A 51 -4.271 -6.733 -1.377 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -3.914 -8.772 -0.015 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -4.041 -7.317 1.002 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -5.421 -8.433 0.870 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -5.118 -8.918 -2.145 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -6.667 -8.598 -1.330 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -6.153 -7.578 -2.694 1.00 1.00 H new ATOM 892 N SER A 52 -6.850 -4.954 -3.723 1.00 1.00 N ATOM 893 CA SER A 52 -7.677 -5.194 -4.882 1.00 1.00 C ATOM 894 C SER A 52 -7.399 -6.555 -5.503 1.00 1.00 C ATOM 895 O SER A 52 -6.250 -6.981 -5.629 1.00 1.00 O ATOM 896 CB SER A 52 -7.457 -4.080 -5.901 1.00 1.00 C ATOM 897 OG SER A 52 -6.075 -3.819 -6.094 1.00 1.00 O ATOM 0 H SER A 52 -5.988 -4.445 -3.919 1.00 1.00 H new ATOM 0 HA SER A 52 -8.720 -5.196 -4.565 1.00 1.00 H new ATOM 0 HB2 SER A 52 -7.912 -4.359 -6.851 1.00 1.00 H new ATOM 0 HB3 SER A 52 -7.956 -3.172 -5.563 1.00 1.00 H new ATOM 0 HG SER A 52 -5.966 -3.102 -6.753 1.00 1.00 H new ATOM 903 N ASP A 53 -8.465 -7.237 -5.871 1.00 1.00 N ATOM 904 CA ASP A 53 -8.369 -8.517 -6.547 1.00 1.00 C ATOM 905 C ASP A 53 -9.309 -8.493 -7.745 1.00 1.00 C ATOM 906 O ASP A 53 -10.162 -7.610 -7.839 1.00 1.00 O ATOM 907 CB ASP A 53 -8.744 -9.648 -5.578 1.00 1.00 C ATOM 908 CG ASP A 53 -8.399 -11.031 -6.097 1.00 1.00 C ATOM 909 OD1 ASP A 53 -9.227 -11.627 -6.823 1.00 1.00 O ATOM 910 OD2 ASP A 53 -7.303 -11.539 -5.765 1.00 1.00 O ATOM 0 H ASP A 53 -9.421 -6.921 -5.711 1.00 1.00 H new ATOM 0 HA ASP A 53 -7.349 -8.695 -6.888 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -8.232 -9.487 -4.629 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -9.814 -9.602 -5.375 1.00 1.00 H new ATOM 915 N ASP A 54 -9.158 -9.433 -8.667 1.00 1.00 N ATOM 916 CA ASP A 54 -10.044 -9.485 -9.827 1.00 1.00 C ATOM 917 C ASP A 54 -11.429 -9.960 -9.416 1.00 1.00 C ATOM 918 O ASP A 54 -12.400 -9.804 -10.157 1.00 1.00 O ATOM 919 CB ASP A 54 -9.470 -10.376 -10.926 1.00 1.00 C ATOM 920 CG ASP A 54 -8.383 -9.677 -11.716 1.00 1.00 C ATOM 921 OD1 ASP A 54 -8.720 -8.905 -12.640 1.00 1.00 O ATOM 922 OD2 ASP A 54 -7.190 -9.878 -11.409 1.00 1.00 O ATOM 0 H ASP A 54 -8.443 -10.160 -8.639 1.00 1.00 H new ATOM 0 HA ASP A 54 -10.128 -8.476 -10.231 1.00 1.00 H new ATOM 0 HB2 ASP A 54 -9.066 -11.285 -10.481 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -10.270 -10.679 -11.601 1.00 1.00 H new ATOM 927 N ASP A 55 -11.511 -10.540 -8.229 1.00 1.00 N ATOM 928 CA ASP A 55 -12.789 -10.871 -7.623 1.00 1.00 C ATOM 929 C ASP A 55 -13.125 -9.836 -6.554 1.00 1.00 C ATOM 930 O ASP A 55 -12.360 -9.642 -5.608 1.00 1.00 O ATOM 931 CB ASP A 55 -12.756 -12.274 -7.016 1.00 1.00 C ATOM 932 CG ASP A 55 -14.026 -12.606 -6.260 1.00 1.00 C ATOM 933 OD1 ASP A 55 -15.092 -12.725 -6.899 1.00 1.00 O ATOM 934 OD2 ASP A 55 -13.966 -12.745 -5.025 1.00 1.00 O ATOM 0 H ASP A 55 -10.701 -10.792 -7.663 1.00 1.00 H new ATOM 0 HA ASP A 55 -13.560 -10.858 -8.393 1.00 1.00 H new ATOM 0 HB2 ASP A 55 -12.606 -13.007 -7.809 1.00 1.00 H new ATOM 0 HB3 ASP A 55 -11.903 -12.355 -6.342 1.00 1.00 H new ATOM 939 N PRO A 56 -14.264 -9.141 -6.702 1.00 1.00 N ATOM 940 CA PRO A 56 -14.671 -8.065 -5.787 1.00 1.00 C ATOM 941 C PRO A 56 -14.866 -8.545 -4.351 1.00 1.00 C ATOM 942 O PRO A 56 -14.750 -7.766 -3.402 1.00 1.00 O ATOM 943 CB PRO A 56 -16.002 -7.572 -6.370 1.00 1.00 C ATOM 944 CG PRO A 56 -16.480 -8.682 -7.242 1.00 1.00 C ATOM 945 CD PRO A 56 -15.246 -9.343 -7.782 1.00 1.00 C ATOM 0 HA PRO A 56 -13.905 -7.292 -5.721 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -16.721 -7.354 -5.581 1.00 1.00 H new ATOM 0 HB3 PRO A 56 -15.866 -6.653 -6.941 1.00 1.00 H new ATOM 0 HG2 PRO A 56 -17.086 -9.390 -6.676 1.00 1.00 H new ATOM 0 HG3 PRO A 56 -17.105 -8.302 -8.050 1.00 1.00 H new ATOM 0 HD2 PRO A 56 -15.411 -10.401 -7.985 1.00 1.00 H new ATOM 0 HD3 PRO A 56 -14.919 -8.886 -8.716 1.00 1.00 H new ATOM 953 N LYS A 57 -15.142 -9.832 -4.193 1.00 1.00 N ATOM 954 CA LYS A 57 -15.397 -10.403 -2.879 1.00 1.00 C ATOM 955 C LYS A 57 -14.095 -10.556 -2.091 1.00 1.00 C ATOM 956 O LYS A 57 -14.104 -10.600 -0.862 1.00 1.00 O ATOM 957 CB LYS A 57 -16.099 -11.759 -3.028 1.00 1.00 C ATOM 958 CG LYS A 57 -16.527 -12.388 -1.712 1.00 1.00 C ATOM 959 CD LYS A 57 -17.548 -11.528 -0.985 1.00 1.00 C ATOM 960 CE LYS A 57 -17.991 -12.170 0.320 1.00 1.00 C ATOM 961 NZ LYS A 57 -18.972 -11.325 1.047 1.00 1.00 N ATOM 0 H LYS A 57 -15.195 -10.501 -4.961 1.00 1.00 H new ATOM 0 HA LYS A 57 -16.048 -9.727 -2.325 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -16.978 -11.633 -3.660 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -15.430 -12.447 -3.546 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -16.950 -13.375 -1.901 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -15.653 -12.532 -1.076 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -17.119 -10.547 -0.782 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -18.415 -11.370 -1.627 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -18.434 -13.144 0.113 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -17.121 -12.343 0.953 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -19.249 -11.797 1.931 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -18.541 -10.404 1.267 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -19.813 -11.181 0.453 1.00 1.00 H new ATOM 975 N LYS A 58 -12.976 -10.620 -2.803 1.00 1.00 N ATOM 976 CA LYS A 58 -11.674 -10.805 -2.165 1.00 1.00 C ATOM 977 C LYS A 58 -11.083 -9.469 -1.722 1.00 1.00 C ATOM 978 O LYS A 58 -10.111 -9.431 -0.964 1.00 1.00 O ATOM 979 CB LYS A 58 -10.700 -11.492 -3.123 1.00 1.00 C ATOM 980 CG LYS A 58 -11.217 -12.798 -3.695 1.00 1.00 C ATOM 981 CD LYS A 58 -11.415 -13.858 -2.624 1.00 1.00 C ATOM 982 CE LYS A 58 -11.933 -15.153 -3.228 1.00 1.00 C ATOM 983 NZ LYS A 58 -13.304 -15.000 -3.783 1.00 1.00 N ATOM 0 H LYS A 58 -12.942 -10.547 -3.820 1.00 1.00 H new ATOM 0 HA LYS A 58 -11.825 -11.433 -1.287 1.00 1.00 H new ATOM 0 HB2 LYS A 58 -10.473 -10.812 -3.944 1.00 1.00 H new ATOM 0 HB3 LYS A 58 -9.764 -11.682 -2.599 1.00 1.00 H new ATOM 0 HG2 LYS A 58 -12.163 -12.619 -4.206 1.00 1.00 H new ATOM 0 HG3 LYS A 58 -10.516 -13.167 -4.443 1.00 1.00 H new ATOM 0 HD2 LYS A 58 -10.471 -14.044 -2.112 1.00 1.00 H new ATOM 0 HD3 LYS A 58 -12.118 -13.495 -1.874 1.00 1.00 H new ATOM 0 HE2 LYS A 58 -11.257 -15.481 -4.018 1.00 1.00 H new ATOM 0 HE3 LYS A 58 -11.935 -15.933 -2.466 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 -13.626 -15.910 -4.170 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 -13.952 -14.696 -3.029 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 -13.295 -14.287 -4.540 1.00 1.00 H new ATOM 997 N GLY A 59 -11.673 -8.382 -2.204 1.00 1.00 N ATOM 998 CA GLY A 59 -11.168 -7.059 -1.892 1.00 1.00 C ATOM 999 C GLY A 59 -11.400 -6.680 -0.446 1.00 1.00 C ATOM 1000 O GLY A 59 -12.540 -6.638 0.016 1.00 1.00 O ATOM 0 H GLY A 59 -12.495 -8.394 -2.808 1.00 1.00 H new ATOM 0 HA2 GLY A 59 -10.100 -7.020 -2.108 1.00 1.00 H new ATOM 0 HA3 GLY A 59 -11.651 -6.327 -2.539 1.00 1.00 H new ATOM 1004 N ILE A 60 -10.320 -6.408 0.273 1.00 1.00 N ATOM 1005 CA ILE A 60 -10.407 -6.077 1.688 1.00 1.00 C ATOM 1006 C ILE A 60 -9.657 -4.789 2.001 1.00 1.00 C ATOM 1007 O ILE A 60 -8.650 -4.474 1.363 1.00 1.00 O ATOM 1008 CB ILE A 60 -9.847 -7.214 2.575 1.00 1.00 C ATOM 1009 CG1 ILE A 60 -8.403 -7.552 2.177 1.00 1.00 C ATOM 1010 CG2 ILE A 60 -10.733 -8.447 2.480 1.00 1.00 C ATOM 1011 CD1 ILE A 60 -7.762 -8.614 3.043 1.00 1.00 C ATOM 0 H ILE A 60 -9.371 -6.410 -0.102 1.00 1.00 H new ATOM 0 HA ILE A 60 -11.465 -5.942 1.911 1.00 1.00 H new ATOM 0 HB ILE A 60 -9.842 -6.872 3.610 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -8.391 -7.887 1.140 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -7.801 -6.645 2.226 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -10.325 -9.238 3.110 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -11.740 -8.198 2.816 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -10.770 -8.790 1.446 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -6.744 -8.798 2.700 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -7.740 -8.275 4.079 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -8.339 -9.536 2.975 1.00 1.00 H new ATOM 1023 N TRP A 61 -10.154 -4.045 2.976 1.00 1.00 N ATOM 1024 CA TRP A 61 -9.485 -2.835 3.426 1.00 1.00 C ATOM 1025 C TRP A 61 -8.475 -3.173 4.514 1.00 1.00 C ATOM 1026 O TRP A 61 -8.841 -3.709 5.565 1.00 1.00 O ATOM 1027 CB TRP A 61 -10.494 -1.813 3.948 1.00 1.00 C ATOM 1028 CG TRP A 61 -11.374 -1.244 2.884 1.00 1.00 C ATOM 1029 CD1 TRP A 61 -12.621 -1.671 2.559 1.00 1.00 C ATOM 1030 CD2 TRP A 61 -11.080 -0.151 2.009 1.00 1.00 C ATOM 1031 NE1 TRP A 61 -13.135 -0.909 1.539 1.00 1.00 N ATOM 1032 CE2 TRP A 61 -12.206 0.033 1.182 1.00 1.00 C ATOM 1033 CE3 TRP A 61 -9.978 0.692 1.843 1.00 1.00 C ATOM 1034 CZ2 TRP A 61 -12.258 1.026 0.209 1.00 1.00 C ATOM 1035 CZ3 TRP A 61 -10.035 1.675 0.874 1.00 1.00 C ATOM 1036 CH2 TRP A 61 -11.165 1.835 0.072 1.00 1.00 C ATOM 0 H TRP A 61 -11.020 -4.258 3.472 1.00 1.00 H new ATOM 0 HA TRP A 61 -8.964 -2.396 2.575 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -11.116 -2.285 4.708 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -9.956 -1.000 4.436 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -13.135 -2.493 3.035 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -14.056 -1.025 1.117 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -9.099 0.577 2.460 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -13.130 1.153 -0.415 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -9.189 2.332 0.735 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -11.176 2.616 -0.674 1.00 1.00 H new ATOM 1047 N LEU A 62 -7.214 -2.862 4.263 1.00 1.00 N ATOM 1048 CA LEU A 62 -6.148 -3.186 5.198 1.00 1.00 C ATOM 1049 C LEU A 62 -6.247 -2.309 6.441 1.00 1.00 C ATOM 1050 O LEU A 62 -6.459 -1.097 6.341 1.00 1.00 O ATOM 1051 CB LEU A 62 -4.780 -3.008 4.534 1.00 1.00 C ATOM 1052 CG LEU A 62 -4.608 -3.717 3.185 1.00 1.00 C ATOM 1053 CD1 LEU A 62 -3.184 -3.560 2.683 1.00 1.00 C ATOM 1054 CD2 LEU A 62 -4.976 -5.188 3.290 1.00 1.00 C ATOM 0 H LEU A 62 -6.902 -2.384 3.417 1.00 1.00 H new ATOM 0 HA LEU A 62 -6.257 -4.229 5.496 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -4.600 -1.943 4.391 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -4.013 -3.372 5.217 1.00 1.00 H new ATOM 0 HG LEU A 62 -5.285 -3.251 2.469 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -3.078 -4.069 1.725 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -2.957 -2.501 2.559 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -2.494 -3.997 3.404 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -4.845 -5.666 2.319 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -4.332 -5.673 4.023 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -6.016 -5.281 3.603 1.00 1.00 H new ATOM 1066 N GLU A 63 -6.118 -2.927 7.607 1.00 1.00 N ATOM 1067 CA GLU A 63 -6.216 -2.206 8.868 1.00 1.00 C ATOM 1068 C GLU A 63 -4.981 -1.352 9.101 1.00 1.00 C ATOM 1069 O GLU A 63 -3.860 -1.851 9.072 1.00 1.00 O ATOM 1070 CB GLU A 63 -6.384 -3.170 10.037 1.00 1.00 C ATOM 1071 CG GLU A 63 -7.651 -3.998 9.984 1.00 1.00 C ATOM 1072 CD GLU A 63 -7.804 -4.869 11.208 1.00 1.00 C ATOM 1073 OE1 GLU A 63 -7.272 -5.997 11.214 1.00 1.00 O ATOM 1074 OE2 GLU A 63 -8.441 -4.420 12.185 1.00 1.00 O ATOM 0 H GLU A 63 -5.945 -3.927 7.706 1.00 1.00 H new ATOM 0 HA GLU A 63 -7.093 -1.562 8.806 1.00 1.00 H new ATOM 0 HB2 GLU A 63 -5.526 -3.841 10.065 1.00 1.00 H new ATOM 0 HB3 GLU A 63 -6.374 -2.601 10.967 1.00 1.00 H new ATOM 0 HG2 GLU A 63 -8.514 -3.337 9.898 1.00 1.00 H new ATOM 0 HG3 GLU A 63 -7.639 -4.624 9.092 1.00 1.00 H new ATOM 1081 N ALA A 64 -5.215 -0.075 9.362 1.00 1.00 N ATOM 1082 CA ALA A 64 -4.156 0.906 9.593 1.00 1.00 C ATOM 1083 C ALA A 64 -3.134 0.424 10.625 1.00 1.00 C ATOM 1084 O ALA A 64 -1.931 0.630 10.457 1.00 1.00 O ATOM 1085 CB ALA A 64 -4.793 2.212 10.041 1.00 1.00 C ATOM 0 H ALA A 64 -6.155 0.318 9.421 1.00 1.00 H new ATOM 0 HA ALA A 64 -3.610 1.052 8.661 1.00 1.00 H new ATOM 0 HB1 ALA A 64 -4.015 2.955 10.218 1.00 1.00 H new ATOM 0 HB2 ALA A 64 -5.469 2.572 9.265 1.00 1.00 H new ATOM 0 HB3 ALA A 64 -5.352 2.047 10.962 1.00 1.00 H new ATOM 1091 N GLY A 65 -3.609 -0.235 11.674 1.00 1.00 N ATOM 1092 CA GLY A 65 -2.726 -0.653 12.748 1.00 1.00 C ATOM 1093 C GLY A 65 -2.037 -1.982 12.487 1.00 1.00 C ATOM 1094 O GLY A 65 -1.221 -2.429 13.295 1.00 1.00 O ATOM 0 H GLY A 65 -4.589 -0.488 11.801 1.00 1.00 H new ATOM 0 HA2 GLY A 65 -1.968 0.115 12.904 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -3.300 -0.726 13.672 1.00 1.00 H new ATOM 1098 N LYS A 66 -2.353 -2.618 11.369 1.00 1.00 N ATOM 1099 CA LYS A 66 -1.768 -3.913 11.047 1.00 1.00 C ATOM 1100 C LYS A 66 -0.553 -3.747 10.144 1.00 1.00 C ATOM 1101 O LYS A 66 -0.262 -2.646 9.675 1.00 1.00 O ATOM 1102 CB LYS A 66 -2.804 -4.827 10.384 1.00 1.00 C ATOM 1103 CG LYS A 66 -3.937 -5.228 11.317 1.00 1.00 C ATOM 1104 CD LYS A 66 -3.432 -6.066 12.481 1.00 1.00 C ATOM 1105 CE LYS A 66 -4.491 -6.225 13.562 1.00 1.00 C ATOM 1106 NZ LYS A 66 -5.689 -6.971 13.089 1.00 1.00 N ATOM 0 H LYS A 66 -3.007 -2.262 10.672 1.00 1.00 H new ATOM 0 HA LYS A 66 -1.444 -4.378 11.978 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -3.221 -4.320 9.514 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -2.306 -5.726 10.021 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -4.429 -4.333 11.698 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -4.686 -5.791 10.760 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -3.132 -7.049 12.118 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -2.544 -5.599 12.907 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -4.057 -6.746 14.415 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -4.797 -5.239 13.912 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -6.370 -7.065 13.869 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -6.132 -6.454 12.303 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -5.403 -7.917 12.764 1.00 1.00 H new ATOM 1120 N ALA A 67 0.155 -4.841 9.913 1.00 1.00 N ATOM 1121 CA ALA A 67 1.354 -4.820 9.090 1.00 1.00 C ATOM 1122 C ALA A 67 1.057 -5.320 7.685 1.00 1.00 C ATOM 1123 O ALA A 67 0.071 -6.019 7.461 1.00 1.00 O ATOM 1124 CB ALA A 67 2.443 -5.663 9.728 1.00 1.00 C ATOM 0 H ALA A 67 -0.082 -5.760 10.286 1.00 1.00 H new ATOM 0 HA ALA A 67 1.701 -3.789 9.019 1.00 1.00 H new ATOM 0 HB1 ALA A 67 3.335 -5.639 9.102 1.00 1.00 H new ATOM 0 HB2 ALA A 67 2.681 -5.265 10.714 1.00 1.00 H new ATOM 0 HB3 ALA A 67 2.096 -6.692 9.826 1.00 1.00 H new ATOM 1130 N LEU A 68 1.923 -4.971 6.744 1.00 1.00 N ATOM 1131 CA LEU A 68 1.751 -5.380 5.358 1.00 1.00 C ATOM 1132 C LEU A 68 2.038 -6.869 5.196 1.00 1.00 C ATOM 1133 O LEU A 68 1.304 -7.584 4.512 1.00 1.00 O ATOM 1134 CB LEU A 68 2.668 -4.556 4.459 1.00 1.00 C ATOM 1135 CG LEU A 68 2.426 -3.048 4.509 1.00 1.00 C ATOM 1136 CD1 LEU A 68 3.427 -2.324 3.629 1.00 1.00 C ATOM 1137 CD2 LEU A 68 1.003 -2.718 4.082 1.00 1.00 C ATOM 0 H LEU A 68 2.753 -4.404 6.916 1.00 1.00 H new ATOM 0 HA LEU A 68 0.716 -5.203 5.065 1.00 1.00 H new ATOM 0 HB2 LEU A 68 3.703 -4.754 4.740 1.00 1.00 H new ATOM 0 HB3 LEU A 68 2.547 -4.896 3.430 1.00 1.00 H new ATOM 0 HG LEU A 68 2.560 -2.711 5.537 1.00 1.00 H new ATOM 0 HD11 LEU A 68 3.242 -1.251 3.675 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.438 -2.533 3.979 1.00 1.00 H new ATOM 0 HD13 LEU A 68 3.321 -2.667 2.600 1.00 1.00 H new ATOM 0 HD21 LEU A 68 0.851 -1.639 4.125 1.00 1.00 H new ATOM 0 HD22 LEU A 68 0.839 -3.068 3.063 1.00 1.00 H new ATOM 0 HD23 LEU A 68 0.299 -3.210 4.752 1.00 1.00 H new ATOM 1149 N ASP A 69 3.092 -7.344 5.859 1.00 1.00 N ATOM 1150 CA ASP A 69 3.479 -8.746 5.790 1.00 1.00 C ATOM 1151 C ASP A 69 2.413 -9.621 6.441 1.00 1.00 C ATOM 1152 O ASP A 69 2.277 -10.801 6.123 1.00 1.00 O ATOM 1153 CB ASP A 69 4.818 -8.957 6.496 1.00 1.00 C ATOM 1154 CG ASP A 69 4.678 -9.000 8.006 1.00 1.00 C ATOM 1155 OD1 ASP A 69 4.430 -7.939 8.612 1.00 1.00 O ATOM 1156 OD2 ASP A 69 4.796 -10.102 8.587 1.00 1.00 O ATOM 0 H ASP A 69 3.694 -6.772 6.452 1.00 1.00 H new ATOM 0 HA ASP A 69 3.578 -9.027 4.742 1.00 1.00 H new ATOM 0 HB2 ASP A 69 5.265 -9.889 6.149 1.00 1.00 H new ATOM 0 HB3 ASP A 69 5.501 -8.154 6.220 1.00 1.00 H new ATOM 1161 N TYR A 70 1.654 -9.015 7.349 1.00 1.00 N ATOM 1162 CA TYR A 70 0.574 -9.695 8.054 1.00 1.00 C ATOM 1163 C TYR A 70 -0.496 -10.150 7.075 1.00 1.00 C ATOM 1164 O TYR A 70 -1.166 -11.160 7.282 1.00 1.00 O ATOM 1165 CB TYR A 70 -0.046 -8.742 9.074 1.00 1.00 C ATOM 1166 CG TYR A 70 -1.060 -9.388 9.991 1.00 1.00 C ATOM 1167 CD1 TYR A 70 -0.718 -10.484 10.773 1.00 1.00 C ATOM 1168 CD2 TYR A 70 -2.358 -8.900 10.078 1.00 1.00 C ATOM 1169 CE1 TYR A 70 -1.641 -11.075 11.614 1.00 1.00 C ATOM 1170 CE2 TYR A 70 -3.285 -9.485 10.920 1.00 1.00 C ATOM 1171 CZ TYR A 70 -2.920 -10.572 11.685 1.00 1.00 C ATOM 1172 OH TYR A 70 -3.839 -11.156 12.527 1.00 1.00 O ATOM 0 H TYR A 70 1.771 -8.038 7.617 1.00 1.00 H new ATOM 0 HA TYR A 70 0.982 -10.569 8.562 1.00 1.00 H new ATOM 0 HB2 TYR A 70 0.750 -8.308 9.679 1.00 1.00 H new ATOM 0 HB3 TYR A 70 -0.526 -7.920 8.542 1.00 1.00 H new ATOM 0 HD1 TYR A 70 0.285 -10.880 10.723 1.00 1.00 H new ATOM 0 HD2 TYR A 70 -2.647 -8.050 9.478 1.00 1.00 H new ATOM 0 HE1 TYR A 70 -1.360 -11.928 12.213 1.00 1.00 H new ATOM 0 HE2 TYR A 70 -4.290 -9.093 10.978 1.00 1.00 H new ATOM 0 HH TYR A 70 -4.693 -10.680 12.459 1.00 1.00 H new ATOM 1182 N TYR A 71 -0.640 -9.395 6.003 1.00 1.00 N ATOM 1183 CA TYR A 71 -1.644 -9.674 4.996 1.00 1.00 C ATOM 1184 C TYR A 71 -1.094 -10.590 3.909 1.00 1.00 C ATOM 1185 O TYR A 71 -1.765 -10.852 2.912 1.00 1.00 O ATOM 1186 CB TYR A 71 -2.147 -8.362 4.406 1.00 1.00 C ATOM 1187 CG TYR A 71 -3.124 -7.644 5.303 1.00 1.00 C ATOM 1188 CD1 TYR A 71 -4.439 -8.074 5.408 1.00 1.00 C ATOM 1189 CD2 TYR A 71 -2.730 -6.543 6.050 1.00 1.00 C ATOM 1190 CE1 TYR A 71 -5.335 -7.425 6.231 1.00 1.00 C ATOM 1191 CE2 TYR A 71 -3.621 -5.889 6.877 1.00 1.00 C ATOM 1192 CZ TYR A 71 -4.922 -6.334 6.963 1.00 1.00 C ATOM 1193 OH TYR A 71 -5.813 -5.688 7.784 1.00 1.00 O ATOM 0 H TYR A 71 -0.067 -8.575 5.807 1.00 1.00 H new ATOM 0 HA TYR A 71 -2.479 -10.196 5.464 1.00 1.00 H new ATOM 0 HB2 TYR A 71 -1.296 -7.709 4.210 1.00 1.00 H new ATOM 0 HB3 TYR A 71 -2.624 -8.562 3.446 1.00 1.00 H new ATOM 0 HD1 TYR A 71 -4.766 -8.930 4.836 1.00 1.00 H new ATOM 0 HD2 TYR A 71 -1.711 -6.192 5.983 1.00 1.00 H new ATOM 0 HE1 TYR A 71 -6.356 -7.771 6.301 1.00 1.00 H new ATOM 0 HE2 TYR A 71 -3.300 -5.034 7.453 1.00 1.00 H new ATOM 0 HH TYR A 71 -5.418 -5.580 8.674 1.00 1.00 H new ATOM 1203 N MET A 72 0.135 -11.062 4.116 1.00 1.00 N ATOM 1204 CA MET A 72 0.769 -12.049 3.238 1.00 1.00 C ATOM 1205 C MET A 72 0.895 -11.547 1.801 1.00 1.00 C ATOM 1206 O MET A 72 0.981 -12.341 0.863 1.00 1.00 O ATOM 1207 CB MET A 72 -0.010 -13.368 3.272 1.00 1.00 C ATOM 1208 CG MET A 72 -0.009 -14.034 4.638 1.00 1.00 C ATOM 1209 SD MET A 72 -0.965 -15.564 4.674 1.00 1.00 S ATOM 1210 CE MET A 72 -0.136 -16.517 3.402 1.00 1.00 C ATOM 0 H MET A 72 0.721 -10.771 4.898 1.00 1.00 H new ATOM 0 HA MET A 72 1.779 -12.215 3.614 1.00 1.00 H new ATOM 0 HB2 MET A 72 -1.040 -13.181 2.968 1.00 1.00 H new ATOM 0 HB3 MET A 72 0.419 -14.054 2.541 1.00 1.00 H new ATOM 0 HG2 MET A 72 1.019 -14.247 4.932 1.00 1.00 H new ATOM 0 HG3 MET A 72 -0.414 -13.341 5.375 1.00 1.00 H new ATOM 0 HE1 MET A 72 -0.357 -17.576 3.538 1.00 1.00 H new ATOM 0 HE2 MET A 72 -0.486 -16.197 2.421 1.00 1.00 H new ATOM 0 HE3 MET A 72 0.940 -16.359 3.472 1.00 1.00 H new ATOM 1220 N LEU A 73 0.926 -10.232 1.633 1.00 1.00 N ATOM 1221 CA LEU A 73 1.125 -9.644 0.318 1.00 1.00 C ATOM 1222 C LEU A 73 2.589 -9.781 -0.096 1.00 1.00 C ATOM 1223 O LEU A 73 3.480 -9.838 0.757 1.00 1.00 O ATOM 1224 CB LEU A 73 0.661 -8.179 0.307 1.00 1.00 C ATOM 1225 CG LEU A 73 1.165 -7.304 1.462 1.00 1.00 C ATOM 1226 CD1 LEU A 73 2.591 -6.838 1.217 1.00 1.00 C ATOM 1227 CD2 LEU A 73 0.239 -6.115 1.667 1.00 1.00 C ATOM 0 H LEU A 73 0.816 -9.555 2.388 1.00 1.00 H new ATOM 0 HA LEU A 73 0.519 -10.180 -0.412 1.00 1.00 H new ATOM 0 HB2 LEU A 73 0.979 -7.725 -0.632 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -0.429 -8.164 0.315 1.00 1.00 H new ATOM 0 HG LEU A 73 1.164 -7.907 2.370 1.00 1.00 H new ATOM 0 HD11 LEU A 73 2.920 -6.220 2.052 1.00 1.00 H new ATOM 0 HD12 LEU A 73 3.246 -7.704 1.126 1.00 1.00 H new ATOM 0 HD13 LEU A 73 2.630 -6.255 0.297 1.00 1.00 H new ATOM 0 HD21 LEU A 73 0.609 -5.503 2.490 1.00 1.00 H new ATOM 0 HD22 LEU A 73 0.207 -5.517 0.756 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -0.764 -6.471 1.902 1.00 1.00 H new ATOM 1239 N ARG A 74 2.834 -9.851 -1.394 1.00 1.00 N ATOM 1240 CA ARG A 74 4.168 -10.115 -1.906 1.00 1.00 C ATOM 1241 C ARG A 74 4.462 -9.233 -3.106 1.00 1.00 C ATOM 1242 O ARG A 74 3.592 -8.496 -3.573 1.00 1.00 O ATOM 1243 CB ARG A 74 4.305 -11.584 -2.320 1.00 1.00 C ATOM 1244 CG ARG A 74 4.215 -12.571 -1.169 1.00 1.00 C ATOM 1245 CD ARG A 74 4.273 -14.004 -1.671 1.00 1.00 C ATOM 1246 NE ARG A 74 4.294 -14.973 -0.577 1.00 1.00 N ATOM 1247 CZ ARG A 74 3.866 -16.230 -0.687 1.00 1.00 C ATOM 1248 NH1 ARG A 74 3.326 -16.658 -1.824 1.00 1.00 N ATOM 1249 NH2 ARG A 74 3.965 -17.058 0.347 1.00 1.00 N ATOM 0 H ARG A 74 2.123 -9.728 -2.115 1.00 1.00 H new ATOM 0 HA ARG A 74 4.881 -9.895 -1.111 1.00 1.00 H new ATOM 0 HB2 ARG A 74 3.526 -11.819 -3.046 1.00 1.00 H new ATOM 0 HB3 ARG A 74 5.262 -11.719 -2.825 1.00 1.00 H new ATOM 0 HG2 ARG A 74 5.032 -12.394 -0.470 1.00 1.00 H new ATOM 0 HG3 ARG A 74 3.286 -12.412 -0.621 1.00 1.00 H new ATOM 0 HD2 ARG A 74 3.411 -14.198 -2.309 1.00 1.00 H new ATOM 0 HD3 ARG A 74 5.162 -14.135 -2.287 1.00 1.00 H new ATOM 0 HE ARG A 74 4.658 -14.668 0.326 1.00 1.00 H new ATOM 0 HH11 ARG A 74 3.238 -16.023 -2.617 1.00 1.00 H new ATOM 0 HH12 ARG A 74 3.000 -17.621 -1.903 1.00 1.00 H new ATOM 0 HH21 ARG A 74 4.369 -16.731 1.225 1.00 1.00 H new ATOM 0 HH22 ARG A 74 3.637 -18.020 0.263 1.00 1.00 H new ATOM 1263 N ASN A 75 5.690 -9.315 -3.600 1.00 1.00 N ATOM 1264 CA ASN A 75 6.075 -8.597 -4.804 1.00 1.00 C ATOM 1265 C ASN A 75 5.205 -9.041 -5.971 1.00 1.00 C ATOM 1266 O ASN A 75 5.135 -10.226 -6.297 1.00 1.00 O ATOM 1267 CB ASN A 75 7.566 -8.797 -5.123 1.00 1.00 C ATOM 1268 CG ASN A 75 7.936 -10.234 -5.445 1.00 1.00 C ATOM 1269 OD1 ASN A 75 7.933 -10.646 -6.604 1.00 1.00 O ATOM 1270 ND2 ASN A 75 8.258 -11.009 -4.422 1.00 1.00 N ATOM 0 H ASN A 75 6.436 -9.872 -3.184 1.00 1.00 H new ATOM 0 HA ASN A 75 5.920 -7.532 -4.634 1.00 1.00 H new ATOM 0 HB2 ASN A 75 7.835 -8.164 -5.969 1.00 1.00 H new ATOM 0 HB3 ASN A 75 8.158 -8.461 -4.272 1.00 1.00 H new ATOM 0 HD21 ASN A 75 8.515 -11.983 -4.581 1.00 1.00 H new ATOM 0 HD22 ASN A 75 8.249 -10.632 -3.474 1.00 1.00 H new ATOM 1277 N GLY A 76 4.509 -8.093 -6.570 1.00 1.00 N ATOM 1278 CA GLY A 76 3.607 -8.420 -7.652 1.00 1.00 C ATOM 1279 C GLY A 76 2.158 -8.176 -7.288 1.00 1.00 C ATOM 1280 O GLY A 76 1.320 -7.973 -8.167 1.00 1.00 O ATOM 0 H GLY A 76 4.551 -7.103 -6.328 1.00 1.00 H new ATOM 0 HA2 GLY A 76 3.864 -7.825 -8.528 1.00 1.00 H new ATOM 0 HA3 GLY A 76 3.738 -9.466 -7.928 1.00 1.00 H new ATOM 1284 N ASP A 77 1.857 -8.187 -5.992 1.00 1.00 N ATOM 1285 CA ASP A 77 0.497 -7.927 -5.525 1.00 1.00 C ATOM 1286 C ASP A 77 0.115 -6.474 -5.773 1.00 1.00 C ATOM 1287 O ASP A 77 0.979 -5.594 -5.843 1.00 1.00 O ATOM 1288 CB ASP A 77 0.333 -8.259 -4.035 1.00 1.00 C ATOM 1289 CG ASP A 77 0.041 -9.727 -3.781 1.00 1.00 C ATOM 1290 OD1 ASP A 77 -1.083 -10.178 -4.089 1.00 1.00 O ATOM 1291 OD2 ASP A 77 0.926 -10.435 -3.258 1.00 1.00 O ATOM 0 H ASP A 77 2.532 -8.372 -5.250 1.00 1.00 H new ATOM 0 HA ASP A 77 -0.169 -8.578 -6.092 1.00 1.00 H new ATOM 0 HB2 ASP A 77 1.243 -7.978 -3.504 1.00 1.00 H new ATOM 0 HB3 ASP A 77 -0.476 -7.657 -3.622 1.00 1.00 H new ATOM 1296 N THR A 78 -1.175 -6.230 -5.914 1.00 1.00 N ATOM 1297 CA THR A 78 -1.669 -4.896 -6.195 1.00 1.00 C ATOM 1298 C THR A 78 -2.551 -4.390 -5.057 1.00 1.00 C ATOM 1299 O THR A 78 -3.447 -5.093 -4.587 1.00 1.00 O ATOM 1300 CB THR A 78 -2.466 -4.878 -7.516 1.00 1.00 C ATOM 1301 OG1 THR A 78 -1.670 -5.440 -8.568 1.00 1.00 O ATOM 1302 CG2 THR A 78 -2.874 -3.459 -7.893 1.00 1.00 C ATOM 0 H THR A 78 -1.902 -6.942 -5.838 1.00 1.00 H new ATOM 0 HA THR A 78 -0.807 -4.236 -6.290 1.00 1.00 H new ATOM 0 HB THR A 78 -3.370 -5.471 -7.376 1.00 1.00 H new ATOM 0 HG1 THR A 78 -2.179 -5.429 -9.405 1.00 1.00 H new ATOM 0 HG21 THR A 78 -3.434 -3.478 -8.828 1.00 1.00 H new ATOM 0 HG22 THR A 78 -3.498 -3.038 -7.105 1.00 1.00 H new ATOM 0 HG23 THR A 78 -1.982 -2.845 -8.017 1.00 1.00 H new ATOM 1310 N MET A 79 -2.264 -3.183 -4.596 1.00 1.00 N ATOM 1311 CA MET A 79 -3.074 -2.527 -3.593 1.00 1.00 C ATOM 1312 C MET A 79 -3.571 -1.194 -4.125 1.00 1.00 C ATOM 1313 O MET A 79 -2.831 -0.458 -4.776 1.00 1.00 O ATOM 1314 CB MET A 79 -2.269 -2.316 -2.317 1.00 1.00 C ATOM 1315 CG MET A 79 -2.068 -3.584 -1.507 1.00 1.00 C ATOM 1316 SD MET A 79 -0.768 -3.409 -0.275 1.00 1.00 S ATOM 1317 CE MET A 79 -1.080 -1.749 0.306 1.00 1.00 C ATOM 0 H MET A 79 -1.463 -2.635 -4.909 1.00 1.00 H new ATOM 0 HA MET A 79 -3.930 -3.160 -3.361 1.00 1.00 H new ATOM 0 HB2 MET A 79 -1.294 -1.903 -2.577 1.00 1.00 H new ATOM 0 HB3 MET A 79 -2.774 -1.575 -1.697 1.00 1.00 H new ATOM 0 HG2 MET A 79 -3.002 -3.848 -1.011 1.00 1.00 H new ATOM 0 HG3 MET A 79 -1.821 -4.406 -2.179 1.00 1.00 H new ATOM 0 HE1 MET A 79 -0.476 -1.554 1.192 1.00 1.00 H new ATOM 0 HE2 MET A 79 -0.819 -1.035 -0.475 1.00 1.00 H new ATOM 0 HE3 MET A 79 -2.136 -1.644 0.556 1.00 1.00 H new ATOM 1327 N GLU A 80 -4.820 -0.895 -3.860 1.00 1.00 N ATOM 1328 CA GLU A 80 -5.429 0.320 -4.350 1.00 1.00 C ATOM 1329 C GLU A 80 -5.638 1.297 -3.200 1.00 1.00 C ATOM 1330 O GLU A 80 -6.527 1.117 -2.370 1.00 1.00 O ATOM 1331 CB GLU A 80 -6.753 -0.023 -5.036 1.00 1.00 C ATOM 1332 CG GLU A 80 -7.398 1.137 -5.767 1.00 1.00 C ATOM 1333 CD GLU A 80 -8.518 0.684 -6.679 1.00 1.00 C ATOM 1334 OE1 GLU A 80 -9.662 0.559 -6.206 1.00 1.00 O ATOM 1335 OE2 GLU A 80 -8.254 0.452 -7.878 1.00 1.00 O ATOM 0 H GLU A 80 -5.440 -1.482 -3.302 1.00 1.00 H new ATOM 0 HA GLU A 80 -4.774 0.798 -5.078 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -6.582 -0.833 -5.745 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -7.450 -0.397 -4.286 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -7.788 1.850 -5.041 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -6.643 1.660 -6.354 1.00 1.00 H new ATOM 1342 N TYR A 81 -4.791 2.312 -3.135 1.00 1.00 N ATOM 1343 CA TYR A 81 -4.902 3.323 -2.097 1.00 1.00 C ATOM 1344 C TYR A 81 -5.914 4.373 -2.526 1.00 1.00 C ATOM 1345 O TYR A 81 -5.642 5.207 -3.390 1.00 1.00 O ATOM 1346 CB TYR A 81 -3.536 3.953 -1.801 1.00 1.00 C ATOM 1347 CG TYR A 81 -3.550 4.962 -0.673 1.00 1.00 C ATOM 1348 CD1 TYR A 81 -4.402 4.825 0.416 1.00 1.00 C ATOM 1349 CD2 TYR A 81 -2.699 6.050 -0.701 1.00 1.00 C ATOM 1350 CE1 TYR A 81 -4.398 5.748 1.445 1.00 1.00 C ATOM 1351 CE2 TYR A 81 -2.686 6.975 0.319 1.00 1.00 C ATOM 1352 CZ TYR A 81 -3.539 6.823 1.391 1.00 1.00 C ATOM 1353 OH TYR A 81 -3.529 7.745 2.417 1.00 1.00 O ATOM 0 H TYR A 81 -4.021 2.457 -3.788 1.00 1.00 H new ATOM 0 HA TYR A 81 -5.248 2.857 -1.175 1.00 1.00 H new ATOM 0 HB2 TYR A 81 -2.828 3.161 -1.556 1.00 1.00 H new ATOM 0 HB3 TYR A 81 -3.169 4.440 -2.705 1.00 1.00 H new ATOM 0 HD1 TYR A 81 -5.078 3.984 0.459 1.00 1.00 H new ATOM 0 HD2 TYR A 81 -2.031 6.178 -1.540 1.00 1.00 H new ATOM 0 HE1 TYR A 81 -5.064 5.627 2.286 1.00 1.00 H new ATOM 0 HE2 TYR A 81 -2.010 7.816 0.279 1.00 1.00 H new ATOM 0 HH TYR A 81 -2.776 7.559 3.016 1.00 1.00 H new ATOM 1363 N ARG A 82 -7.088 4.311 -1.926 1.00 1.00 N ATOM 1364 CA ARG A 82 -8.207 5.129 -2.351 1.00 1.00 C ATOM 1365 C ARG A 82 -9.034 5.584 -1.160 1.00 1.00 C ATOM 1366 O ARG A 82 -8.811 5.147 -0.028 1.00 1.00 O ATOM 1367 CB ARG A 82 -9.086 4.332 -3.316 1.00 1.00 C ATOM 1368 CG ARG A 82 -9.583 3.020 -2.729 1.00 1.00 C ATOM 1369 CD ARG A 82 -10.438 2.249 -3.716 1.00 1.00 C ATOM 1370 NE ARG A 82 -11.660 2.969 -4.072 1.00 1.00 N ATOM 1371 CZ ARG A 82 -12.384 2.709 -5.158 1.00 1.00 C ATOM 1372 NH1 ARG A 82 -11.989 1.779 -6.019 1.00 1.00 N ATOM 1373 NH2 ARG A 82 -13.493 3.397 -5.389 1.00 1.00 N ATOM 0 H ARG A 82 -7.291 3.698 -1.137 1.00 1.00 H new ATOM 0 HA ARG A 82 -7.816 6.014 -2.853 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -9.943 4.941 -3.604 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -8.521 4.125 -4.225 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -8.731 2.409 -2.432 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -10.161 3.221 -1.827 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -9.859 2.052 -4.618 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -10.700 1.282 -3.288 1.00 1.00 H new ATOM 0 HE ARG A 82 -11.976 3.714 -3.451 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -11.127 1.260 -5.850 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -12.547 1.583 -6.850 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -13.789 4.122 -4.736 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -14.051 3.201 -6.220 1.00 1.00 H new ATOM 1387 N LYS A 83 -9.975 6.472 -1.425 1.00 1.00 N ATOM 1388 CA LYS A 83 -10.899 6.947 -0.412 1.00 1.00 C ATOM 1389 C LYS A 83 -11.837 5.819 0.014 1.00 1.00 C ATOM 1390 O LYS A 83 -12.487 5.191 -0.825 1.00 1.00 O ATOM 1391 CB LYS A 83 -11.698 8.126 -0.968 1.00 1.00 C ATOM 1392 CG LYS A 83 -12.758 8.666 -0.022 1.00 1.00 C ATOM 1393 CD LYS A 83 -13.582 9.753 -0.691 1.00 1.00 C ATOM 1394 CE LYS A 83 -14.239 9.241 -1.964 1.00 1.00 C ATOM 1395 NZ LYS A 83 -15.010 10.299 -2.662 1.00 1.00 N ATOM 0 H LYS A 83 -10.120 6.883 -2.347 1.00 1.00 H new ATOM 0 HA LYS A 83 -10.340 7.277 0.464 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -11.008 8.931 -1.219 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -12.179 7.818 -1.896 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -13.412 7.855 0.299 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -12.282 9.065 0.874 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -14.347 10.109 -0.001 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -12.943 10.605 -0.925 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -13.473 8.850 -2.634 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -14.903 8.411 -1.720 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -15.440 9.905 -3.523 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -15.758 10.655 -2.034 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -14.373 11.080 -2.919 1.00 1.00 H new ATOM 1409 N LYS A 84 -11.892 5.560 1.312 1.00 1.00 N ATOM 1410 CA LYS A 84 -12.745 4.513 1.859 1.00 1.00 C ATOM 1411 C LYS A 84 -14.205 4.934 1.791 1.00 1.00 C ATOM 1412 O LYS A 84 -14.529 6.110 1.970 1.00 1.00 O ATOM 1413 CB LYS A 84 -12.359 4.216 3.313 1.00 1.00 C ATOM 1414 CG LYS A 84 -10.929 3.730 3.478 1.00 1.00 C ATOM 1415 CD LYS A 84 -10.497 3.650 4.940 1.00 1.00 C ATOM 1416 CE LYS A 84 -11.170 2.510 5.698 1.00 1.00 C ATOM 1417 NZ LYS A 84 -12.582 2.810 6.059 1.00 1.00 N ATOM 0 H LYS A 84 -11.350 6.066 2.013 1.00 1.00 H new ATOM 0 HA LYS A 84 -12.607 3.610 1.264 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -12.498 5.119 3.908 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -13.038 3.463 3.713 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -10.829 2.746 3.020 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -10.258 4.401 2.942 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -9.416 3.522 4.987 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -10.728 4.594 5.434 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -11.140 1.607 5.088 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -10.605 2.300 6.606 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -12.750 2.549 7.052 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -12.764 3.826 5.933 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -13.221 2.265 5.445 1.00 1.00 H new ATOM 1431 N GLN A 85 -15.076 3.978 1.518 1.00 1.00 N ATOM 1432 CA GLN A 85 -16.503 4.239 1.480 1.00 1.00 C ATOM 1433 C GLN A 85 -17.041 4.368 2.897 1.00 1.00 C ATOM 1434 O GLN A 85 -17.418 5.489 3.293 1.00 1.00 O ATOM 1435 CB GLN A 85 -17.239 3.124 0.734 1.00 1.00 C ATOM 1436 CG GLN A 85 -16.863 3.016 -0.736 1.00 1.00 C ATOM 1437 CD GLN A 85 -17.625 1.917 -1.447 1.00 1.00 C ATOM 1438 OE1 GLN A 85 -17.174 0.774 -1.516 1.00 1.00 O ATOM 1439 NE2 GLN A 85 -18.792 2.254 -1.975 1.00 1.00 N ATOM 1440 OXT GLN A 85 -17.039 3.357 3.625 1.00 1.00 O ATOM 0 H GLN A 85 -14.818 3.011 1.319 1.00 1.00 H new ATOM 0 HA GLN A 85 -16.672 5.174 0.946 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -17.030 2.173 1.224 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -18.313 3.294 0.813 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -17.059 3.968 -1.229 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -15.793 2.827 -0.822 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -19.130 3.213 -1.896 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -19.353 1.554 -2.461 1.00 1.00 H new