USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 888 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 SER OG : rot -10:sc= -0.588 USER MOD Set 1.2: A 143 SER OG : rot 130:sc= -1.76! USER MOD Set 2.1: A 101 ASN : amide:sc= 0.992 K(o=2,f=-5.5!) USER MOD Set 2.2: A 103 SER OG : rot 15:sc= 1.03 USER MOD Set 3.1: A 96 ASN : amide:sc= -0.276 X(o=-0.43,f=-0.031) USER MOD Set 3.2: A 125 GLN : amide:sc= -0.159 X(o=-0.43,f=-0.031) USER MOD Set 4.1: A 23 ASN : amide:sc= -4.58! C(o=-4.6!,f=-6.8!) USER MOD Set 4.2: A 91 SER OG : rot -111:sc= 0 USER MOD Set 5.1: A 64 ASN : amide:sc= -0.582! C(o=-3.9!,f=-13!) USER MOD Set 5.2: A 65 ASN : amide:sc= -3.32! C(o=-3.9!,f=-9.3!) USER MOD Set 6.1: A 14 SER OG : rot -39:sc= -0.596 USER MOD Set 6.2: A 104 ASN : amide:sc= -0.251 X(o=-0.85,f=-0.86) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -1.12 K(o=-1.1,f=-2.7!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.595 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 95:sc= 0.616 USER MOD Single : A 40 SER OG : rot 180:sc= 0.977 USER MOD Single : A 41 GLN : amide:sc= 0.132 K(o=0.13,f=-8.9!) USER MOD Single : A 42 GLN : amide:sc= -0.457 X(o=-0.46,f=-0.72) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.357 USER MOD Single : A 49 GLN : amide:sc= -0.498 X(o=-0.5,f=-0.048) USER MOD Single : A 53 GLN : amide:sc= -2.24! C(o=-2.2!,f=-4.2!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -1.12 K(o=-1.1,f=0) USER MOD Single : A 75 SER OG : rot -170:sc= -0.487 USER MOD Single : A 86 TYR OH : rot 75:sc= 0.547 USER MOD Single : A 88 GLN : amide:sc= -0.0167 K(o=-0.017,f=-0.63) USER MOD Single : A 92 SER OG : rot 114:sc= -0.896 USER MOD Single : A 107 THR OG1 : rot 87:sc= 1.1 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -30:sc= 0.581 USER MOD Single : A 118 ASN : amide:sc= -3.19! C(o=-3.2!,f=-1.8!) USER MOD Single : A 121 SER OG : rot -72:sc= 0.0983 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 1:sc= 1.17 USER MOD Single : A 137 GLN : amide:sc= -1.49! K(o=-1.5!,f=-0.22) USER MOD Single : A 138 SER OG : rot 81:sc= 0.986 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 144 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 123 N GLY A 12 -2.729 -6.360 -13.187 1.00 0.00 N ATOM 124 CA GLY A 12 -2.024 -5.975 -14.391 1.00 0.00 C ATOM 125 C GLY A 12 -0.609 -6.514 -14.428 1.00 0.00 C ATOM 126 O GLY A 12 -0.262 -7.417 -13.660 1.00 0.00 O ATOM 0 HA2 GLY A 12 -2.571 -6.338 -15.261 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.998 -4.888 -14.462 1.00 0.00 H new ATOM 130 N ALA A 13 0.217 -5.946 -15.305 1.00 0.00 N ATOM 131 CA ALA A 13 1.609 -6.373 -15.457 1.00 0.00 C ATOM 132 C ALA A 13 2.408 -6.133 -14.186 1.00 0.00 C ATOM 133 O ALA A 13 3.497 -6.688 -14.009 1.00 0.00 O ATOM 134 CB ALA A 13 2.263 -5.657 -16.626 1.00 0.00 C ATOM 0 H ALA A 13 -0.055 -5.184 -15.926 1.00 0.00 H new ATOM 0 HA ALA A 13 1.603 -7.445 -15.655 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.297 -5.988 -16.723 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.721 -5.888 -17.543 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.241 -4.581 -16.452 1.00 0.00 H new ATOM 140 N SER A 14 1.869 -5.306 -13.300 1.00 0.00 N ATOM 141 CA SER A 14 2.515 -5.026 -12.044 1.00 0.00 C ATOM 142 C SER A 14 2.676 -6.310 -11.239 1.00 0.00 C ATOM 143 O SER A 14 3.679 -6.499 -10.576 1.00 0.00 O ATOM 144 CB SER A 14 1.713 -3.998 -11.251 1.00 0.00 C ATOM 145 OG SER A 14 1.541 -2.805 -11.995 1.00 0.00 O ATOM 0 H SER A 14 0.983 -4.820 -13.437 1.00 0.00 H new ATOM 0 HA SER A 14 3.504 -4.612 -12.244 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.739 -4.413 -10.992 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.225 -3.776 -10.314 1.00 0.00 H new ATOM 0 HG SER A 14 2.363 -2.608 -12.491 1.00 0.00 H new ATOM 151 N ALA A 15 1.697 -7.213 -11.359 1.00 0.00 N ATOM 152 CA ALA A 15 1.699 -8.479 -10.618 1.00 0.00 C ATOM 153 C ALA A 15 2.949 -9.317 -10.911 1.00 0.00 C ATOM 154 O ALA A 15 3.334 -10.175 -10.114 1.00 0.00 O ATOM 155 CB ALA A 15 0.442 -9.275 -10.931 1.00 0.00 C ATOM 0 H ALA A 15 0.887 -7.089 -11.967 1.00 0.00 H new ATOM 0 HA ALA A 15 1.714 -8.235 -9.556 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.457 -10.212 -10.374 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.436 -8.696 -10.644 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.403 -9.488 -11.999 1.00 0.00 H new ATOM 161 N GLY A 16 3.570 -9.072 -12.047 1.00 0.00 N ATOM 162 CA GLY A 16 4.767 -9.796 -12.392 1.00 0.00 C ATOM 163 C GLY A 16 6.025 -9.129 -11.861 1.00 0.00 C ATOM 164 O GLY A 16 6.916 -9.795 -11.333 1.00 0.00 O ATOM 0 H GLY A 16 3.267 -8.385 -12.737 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.702 -10.809 -11.995 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.836 -9.882 -13.476 1.00 0.00 H new ATOM 168 N LEU A 17 6.093 -7.812 -11.992 1.00 0.00 N ATOM 169 CA LEU A 17 7.283 -7.061 -11.598 1.00 0.00 C ATOM 170 C LEU A 17 7.318 -6.683 -10.108 1.00 0.00 C ATOM 171 O LEU A 17 8.387 -6.508 -9.563 1.00 0.00 O ATOM 172 CB LEU A 17 7.460 -5.810 -12.491 1.00 0.00 C ATOM 173 CG LEU A 17 6.254 -4.854 -12.598 1.00 0.00 C ATOM 174 CD1 LEU A 17 6.139 -3.948 -11.378 1.00 0.00 C ATOM 175 CD2 LEU A 17 6.339 -4.028 -13.872 1.00 0.00 C ATOM 0 H LEU A 17 5.339 -7.238 -12.368 1.00 0.00 H new ATOM 0 HA LEU A 17 8.127 -7.734 -11.750 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.311 -5.242 -12.115 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.719 -6.144 -13.496 1.00 0.00 H new ATOM 0 HG LEU A 17 5.353 -5.466 -12.636 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.277 -3.290 -11.493 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.014 -4.557 -10.483 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.044 -3.347 -11.284 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.480 -3.360 -13.930 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.257 -3.440 -13.864 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.341 -4.692 -14.737 1.00 0.00 H new ATOM 187 N ILE A 18 6.143 -6.586 -9.470 1.00 0.00 N ATOM 188 CA ILE A 18 6.002 -6.110 -8.061 1.00 0.00 C ATOM 189 C ILE A 18 7.158 -6.493 -7.117 1.00 0.00 C ATOM 190 O ILE A 18 7.857 -5.621 -6.603 1.00 0.00 O ATOM 191 CB ILE A 18 4.662 -6.551 -7.426 1.00 0.00 C ATOM 192 CG1 ILE A 18 4.283 -7.979 -7.855 1.00 0.00 C ATOM 193 CG2 ILE A 18 3.558 -5.559 -7.761 1.00 0.00 C ATOM 194 CD1 ILE A 18 2.987 -8.477 -7.250 1.00 0.00 C ATOM 0 H ILE A 18 5.254 -6.833 -9.906 1.00 0.00 H new ATOM 0 HA ILE A 18 6.029 -5.025 -8.163 1.00 0.00 H new ATOM 0 HB ILE A 18 4.788 -6.562 -6.343 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.202 -8.012 -8.941 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.088 -8.658 -7.575 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.624 -5.887 -7.305 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.824 -4.575 -7.375 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.434 -5.504 -8.843 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.788 -9.490 -7.600 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.070 -8.478 -6.163 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.169 -7.822 -7.551 1.00 0.00 H new ATOM 206 N SER A 19 7.354 -7.772 -6.903 1.00 0.00 N ATOM 207 CA SER A 19 8.372 -8.246 -5.981 1.00 0.00 C ATOM 208 C SER A 19 9.778 -8.118 -6.569 1.00 0.00 C ATOM 209 O SER A 19 10.758 -8.137 -5.844 1.00 0.00 O ATOM 210 CB SER A 19 8.080 -9.689 -5.573 1.00 0.00 C ATOM 211 OG SER A 19 9.080 -10.203 -4.712 1.00 0.00 O ATOM 0 H SER A 19 6.820 -8.513 -7.357 1.00 0.00 H new ATOM 0 HA SER A 19 8.339 -7.615 -5.093 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.111 -9.737 -5.075 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.012 -10.312 -6.464 1.00 0.00 H new ATOM 0 HG SER A 19 8.860 -11.127 -4.470 1.00 0.00 H new ATOM 217 N ARG A 20 9.856 -7.995 -7.880 1.00 0.00 N ATOM 218 CA ARG A 20 11.125 -7.916 -8.587 1.00 0.00 C ATOM 219 C ARG A 20 11.710 -6.497 -8.563 1.00 0.00 C ATOM 220 O ARG A 20 12.906 -6.314 -8.778 1.00 0.00 O ATOM 221 CB ARG A 20 10.961 -8.416 -10.023 1.00 0.00 C ATOM 222 CG ARG A 20 10.562 -9.879 -10.102 1.00 0.00 C ATOM 223 CD ARG A 20 10.328 -10.331 -11.532 1.00 0.00 C ATOM 224 NE ARG A 20 9.991 -11.754 -11.597 1.00 0.00 N ATOM 225 CZ ARG A 20 9.492 -12.370 -12.671 1.00 0.00 C ATOM 226 NH1 ARG A 20 9.253 -11.690 -13.788 1.00 0.00 N ATOM 227 NH2 ARG A 20 9.236 -13.670 -12.622 1.00 0.00 N ATOM 0 H ARG A 20 9.039 -7.947 -8.489 1.00 0.00 H new ATOM 0 HA ARG A 20 11.835 -8.560 -8.068 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.207 -7.812 -10.528 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.898 -8.271 -10.561 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.343 -10.492 -9.652 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.655 -10.039 -9.519 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.522 -9.745 -11.973 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.222 -10.140 -12.126 1.00 0.00 H new ATOM 0 HE ARG A 20 10.149 -12.316 -10.761 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.451 -10.690 -13.829 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.872 -12.168 -14.604 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.420 -14.194 -11.767 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.855 -14.146 -13.440 1.00 0.00 H new ATOM 241 N VAL A 21 10.857 -5.497 -8.336 1.00 0.00 N ATOM 242 CA VAL A 21 11.311 -4.101 -8.291 1.00 0.00 C ATOM 243 C VAL A 21 12.135 -3.836 -6.995 1.00 0.00 C ATOM 244 O VAL A 21 12.879 -4.701 -6.535 1.00 0.00 O ATOM 245 CB VAL A 21 10.114 -3.093 -8.375 1.00 0.00 C ATOM 246 CG1 VAL A 21 10.562 -1.751 -8.944 1.00 0.00 C ATOM 247 CG2 VAL A 21 8.981 -3.647 -9.216 1.00 0.00 C ATOM 0 H VAL A 21 9.857 -5.623 -8.181 1.00 0.00 H new ATOM 0 HA VAL A 21 11.946 -3.941 -9.163 1.00 0.00 H new ATOM 0 HB VAL A 21 9.753 -2.943 -7.357 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.710 -1.073 -8.990 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.332 -1.323 -8.303 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.964 -1.897 -9.946 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.167 -2.922 -9.253 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.340 -3.842 -10.227 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.620 -4.576 -8.774 1.00 0.00 H new ATOM 257 N ALA A 22 11.973 -2.656 -6.406 1.00 0.00 N ATOM 258 CA ALA A 22 12.748 -2.256 -5.229 1.00 0.00 C ATOM 259 C ALA A 22 12.493 -3.173 -4.038 1.00 0.00 C ATOM 260 O ALA A 22 13.326 -3.288 -3.143 1.00 0.00 O ATOM 261 CB ALA A 22 12.435 -0.814 -4.862 1.00 0.00 C ATOM 0 H ALA A 22 11.307 -1.952 -6.725 1.00 0.00 H new ATOM 0 HA ALA A 22 13.804 -2.342 -5.485 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.016 -0.527 -3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.691 -0.162 -5.697 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.372 -0.718 -4.640 1.00 0.00 H new ATOM 267 N ASN A 23 11.347 -3.832 -4.041 1.00 0.00 N ATOM 268 CA ASN A 23 10.975 -4.725 -2.948 1.00 0.00 C ATOM 269 C ASN A 23 11.882 -5.947 -2.876 1.00 0.00 C ATOM 270 O ASN A 23 12.071 -6.518 -1.801 1.00 0.00 O ATOM 271 CB ASN A 23 9.514 -5.145 -3.068 1.00 0.00 C ATOM 272 CG ASN A 23 8.560 -4.153 -2.420 1.00 0.00 C ATOM 273 OD1 ASN A 23 7.481 -4.521 -1.988 1.00 0.00 O ATOM 274 ND2 ASN A 23 8.957 -2.888 -2.343 1.00 0.00 N ATOM 0 H ASN A 23 10.655 -3.768 -4.787 1.00 0.00 H new ATOM 0 HA ASN A 23 11.104 -4.170 -2.019 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.257 -5.254 -4.122 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.383 -6.123 -2.606 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.352 -2.189 -1.912 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.867 -2.615 -2.715 1.00 0.00 H new ATOM 281 N ALA A 24 12.458 -6.332 -4.011 1.00 0.00 N ATOM 282 CA ALA A 24 13.358 -7.479 -4.057 1.00 0.00 C ATOM 283 C ALA A 24 14.600 -7.214 -3.229 1.00 0.00 C ATOM 284 O ALA A 24 15.041 -8.067 -2.458 1.00 0.00 O ATOM 285 CB ALA A 24 13.746 -7.800 -5.495 1.00 0.00 C ATOM 0 H ALA A 24 12.318 -5.868 -4.908 1.00 0.00 H new ATOM 0 HA ALA A 24 12.835 -8.338 -3.638 1.00 0.00 H new ATOM 0 HB1 ALA A 24 14.418 -8.658 -5.508 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.850 -8.032 -6.071 1.00 0.00 H new ATOM 0 HB3 ALA A 24 14.249 -6.940 -5.937 1.00 0.00 H new ATOM 291 N LEU A 25 15.148 -6.017 -3.376 1.00 0.00 N ATOM 292 CA LEU A 25 16.344 -5.640 -2.653 1.00 0.00 C ATOM 293 C LEU A 25 16.002 -5.229 -1.225 1.00 0.00 C ATOM 294 O LEU A 25 16.821 -5.371 -0.317 1.00 0.00 O ATOM 295 CB LEU A 25 17.077 -4.508 -3.376 1.00 0.00 C ATOM 296 CG LEU A 25 18.477 -4.184 -2.849 1.00 0.00 C ATOM 297 CD1 LEU A 25 19.388 -5.400 -2.966 1.00 0.00 C ATOM 298 CD2 LEU A 25 19.067 -3.002 -3.601 1.00 0.00 C ATOM 0 H LEU A 25 14.780 -5.292 -3.992 1.00 0.00 H new ATOM 0 HA LEU A 25 17.005 -6.506 -2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.157 -4.767 -4.432 1.00 0.00 H new ATOM 0 HB3 LEU A 25 16.467 -3.607 -3.314 1.00 0.00 H new ATOM 0 HG LEU A 25 18.395 -3.917 -1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 25 20.379 -5.150 -2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.973 -6.223 -2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 25 19.465 -5.698 -4.012 1.00 0.00 H new ATOM 0 HD21 LEU A 25 20.063 -2.785 -3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.135 -3.243 -4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.427 -2.130 -3.467 1.00 0.00 H new ATOM 310 N ALA A 26 14.789 -4.711 -1.034 1.00 0.00 N ATOM 311 CA ALA A 26 14.327 -4.330 0.293 1.00 0.00 C ATOM 312 C ALA A 26 14.285 -5.557 1.193 1.00 0.00 C ATOM 313 O ALA A 26 14.758 -5.520 2.334 1.00 0.00 O ATOM 314 CB ALA A 26 12.955 -3.670 0.216 1.00 0.00 C ATOM 0 H ALA A 26 14.114 -4.547 -1.781 1.00 0.00 H new ATOM 0 HA ALA A 26 15.023 -3.606 0.716 1.00 0.00 H new ATOM 0 HB1 ALA A 26 12.628 -3.393 1.218 1.00 0.00 H new ATOM 0 HB2 ALA A 26 13.015 -2.777 -0.406 1.00 0.00 H new ATOM 0 HB3 ALA A 26 12.240 -4.368 -0.219 1.00 0.00 H new ATOM 320 N ASN A 27 13.704 -6.645 0.657 1.00 0.00 N ATOM 321 CA ASN A 27 13.625 -7.951 1.334 1.00 0.00 C ATOM 322 C ASN A 27 12.920 -7.853 2.698 1.00 0.00 C ATOM 323 O ASN A 27 13.007 -8.762 3.530 1.00 0.00 O ATOM 324 CB ASN A 27 15.036 -8.547 1.473 1.00 0.00 C ATOM 325 CG ASN A 27 15.035 -10.061 1.400 1.00 0.00 C ATOM 326 OD1 ASN A 27 15.098 -10.743 2.405 1.00 0.00 O ATOM 327 ND2 ASN A 27 14.938 -10.592 0.199 1.00 0.00 N ATOM 0 H ASN A 27 13.272 -6.642 -0.267 1.00 0.00 H new ATOM 0 HA ASN A 27 13.018 -8.617 0.721 1.00 0.00 H new ATOM 0 HB2 ASN A 27 15.675 -8.149 0.685 1.00 0.00 H new ATOM 0 HB3 ASN A 27 15.468 -8.232 2.423 1.00 0.00 H new ATOM 0 HD21 ASN A 27 14.914 -11.606 0.090 1.00 0.00 H new ATOM 0 HD22 ASN A 27 14.887 -9.989 -0.622 1.00 0.00 H new ATOM 334 N THR A 28 12.189 -6.765 2.891 1.00 0.00 N ATOM 335 CA THR A 28 11.508 -6.493 4.139 1.00 0.00 C ATOM 336 C THR A 28 10.226 -7.347 4.283 1.00 0.00 C ATOM 337 O THR A 28 9.736 -7.933 3.310 1.00 0.00 O ATOM 338 CB THR A 28 11.150 -4.993 4.221 1.00 0.00 C ATOM 339 OG1 THR A 28 12.222 -4.216 3.660 1.00 0.00 O ATOM 340 CG2 THR A 28 10.933 -4.558 5.665 1.00 0.00 C ATOM 0 H THR A 28 12.054 -6.046 2.181 1.00 0.00 H new ATOM 0 HA THR A 28 12.181 -6.757 4.955 1.00 0.00 H new ATOM 0 HB THR A 28 10.227 -4.832 3.663 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.996 -3.264 3.709 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.682 -3.498 5.692 1.00 0.00 H new ATOM 0 HG22 THR A 28 10.117 -5.135 6.100 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.844 -4.730 6.238 1.00 0.00 H new ATOM 348 N SER A 29 9.703 -7.416 5.506 1.00 0.00 N ATOM 349 CA SER A 29 8.490 -8.166 5.806 1.00 0.00 C ATOM 350 C SER A 29 7.270 -7.611 5.058 1.00 0.00 C ATOM 351 O SER A 29 6.256 -8.294 4.939 1.00 0.00 O ATOM 352 CB SER A 29 8.231 -8.152 7.310 1.00 0.00 C ATOM 353 OG SER A 29 9.350 -8.653 8.016 1.00 0.00 O ATOM 0 H SER A 29 10.111 -6.951 6.317 1.00 0.00 H new ATOM 0 HA SER A 29 8.643 -9.191 5.468 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.014 -7.135 7.637 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.352 -8.754 7.538 1.00 0.00 H new ATOM 0 HG SER A 29 9.985 -9.050 7.384 1.00 0.00 H new ATOM 359 N THR A 30 7.399 -6.384 4.550 1.00 0.00 N ATOM 360 CA THR A 30 6.327 -5.684 3.830 1.00 0.00 C ATOM 361 C THR A 30 5.739 -6.525 2.689 1.00 0.00 C ATOM 362 O THR A 30 4.537 -6.505 2.446 1.00 0.00 O ATOM 363 CB THR A 30 6.863 -4.363 3.254 1.00 0.00 C ATOM 364 OG1 THR A 30 8.154 -4.596 2.664 1.00 0.00 O ATOM 365 CG2 THR A 30 6.994 -3.313 4.343 1.00 0.00 C ATOM 0 H THR A 30 8.259 -5.840 4.626 1.00 0.00 H new ATOM 0 HA THR A 30 5.530 -5.494 4.549 1.00 0.00 H new ATOM 0 HB THR A 30 6.162 -3.999 2.502 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.500 -3.758 2.293 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.375 -2.387 3.912 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.017 -3.130 4.791 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.684 -3.667 5.109 1.00 0.00 H new ATOM 373 N LEU A 31 6.595 -7.244 1.996 1.00 0.00 N ATOM 374 CA LEU A 31 6.164 -8.099 0.900 1.00 0.00 C ATOM 375 C LEU A 31 6.167 -9.556 1.328 1.00 0.00 C ATOM 376 O LEU A 31 5.494 -10.400 0.736 1.00 0.00 O ATOM 377 CB LEU A 31 7.065 -7.916 -0.340 1.00 0.00 C ATOM 378 CG LEU A 31 8.566 -8.195 -0.146 1.00 0.00 C ATOM 379 CD1 LEU A 31 9.172 -8.739 -1.431 1.00 0.00 C ATOM 380 CD2 LEU A 31 9.301 -6.926 0.275 1.00 0.00 C ATOM 0 H LEU A 31 7.600 -7.256 2.170 1.00 0.00 H new ATOM 0 HA LEU A 31 5.148 -7.807 0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.696 -8.571 -1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.952 -6.892 -0.696 1.00 0.00 H new ATOM 0 HG LEU A 31 8.674 -8.939 0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.234 -8.932 -1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.670 -9.667 -1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.046 -8.009 -2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.360 -7.146 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.181 -6.164 -0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.887 -6.560 1.215 1.00 0.00 H new ATOM 392 N ARG A 32 6.925 -9.835 2.371 1.00 0.00 N ATOM 393 CA ARG A 32 7.122 -11.191 2.841 1.00 0.00 C ATOM 394 C ARG A 32 5.880 -11.762 3.542 1.00 0.00 C ATOM 395 O ARG A 32 5.547 -12.929 3.345 1.00 0.00 O ATOM 396 CB ARG A 32 8.327 -11.246 3.777 1.00 0.00 C ATOM 397 CG ARG A 32 8.823 -12.648 4.066 1.00 0.00 C ATOM 398 CD ARG A 32 9.999 -12.634 5.032 1.00 0.00 C ATOM 399 NE ARG A 32 11.152 -11.890 4.506 1.00 0.00 N ATOM 400 CZ ARG A 32 12.420 -12.280 4.636 1.00 0.00 C ATOM 401 NH1 ARG A 32 12.713 -13.482 5.129 1.00 0.00 N ATOM 402 NH2 ARG A 32 13.390 -11.487 4.245 1.00 0.00 N ATOM 0 H ARG A 32 7.420 -9.129 2.915 1.00 0.00 H new ATOM 0 HA ARG A 32 7.305 -11.813 1.965 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.140 -10.668 3.339 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.064 -10.764 4.719 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.012 -13.243 4.486 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.121 -13.129 3.135 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.684 -12.189 5.976 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.300 -13.659 5.247 1.00 0.00 H new ATOM 0 HE ARG A 32 10.970 -11.018 4.009 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.964 -14.114 5.411 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.687 -13.771 5.224 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.173 -10.575 3.843 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.361 -11.783 4.343 1.00 0.00 H new ATOM 416 N THR A 33 5.197 -10.951 4.358 1.00 0.00 N ATOM 417 CA THR A 33 4.037 -11.453 5.110 1.00 0.00 C ATOM 418 C THR A 33 3.295 -10.338 5.857 1.00 0.00 C ATOM 419 O THR A 33 2.073 -10.391 6.019 1.00 0.00 O ATOM 420 CB THR A 33 4.464 -12.560 6.118 1.00 0.00 C ATOM 421 OG1 THR A 33 3.333 -13.038 6.855 1.00 0.00 O ATOM 422 CG2 THR A 33 5.524 -12.051 7.090 1.00 0.00 C ATOM 0 H THR A 33 5.418 -9.968 4.514 1.00 0.00 H new ATOM 0 HA THR A 33 3.353 -11.875 4.374 1.00 0.00 H new ATOM 0 HB THR A 33 4.889 -13.379 5.537 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.621 -13.734 7.482 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.799 -12.849 7.779 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.405 -11.733 6.533 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.126 -11.207 7.653 1.00 0.00 H new ATOM 430 N VAL A 34 4.024 -9.346 6.306 1.00 0.00 N ATOM 431 CA VAL A 34 3.434 -8.243 7.046 1.00 0.00 C ATOM 432 C VAL A 34 2.951 -7.173 6.087 1.00 0.00 C ATOM 433 O VAL A 34 3.605 -6.902 5.091 1.00 0.00 O ATOM 434 CB VAL A 34 4.451 -7.628 8.041 1.00 0.00 C ATOM 435 CG1 VAL A 34 3.813 -6.521 8.871 1.00 0.00 C ATOM 436 CG2 VAL A 34 5.024 -8.706 8.941 1.00 0.00 C ATOM 0 H VAL A 34 5.033 -9.274 6.174 1.00 0.00 H new ATOM 0 HA VAL A 34 2.589 -8.633 7.614 1.00 0.00 H new ATOM 0 HB VAL A 34 5.262 -7.185 7.464 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.552 -6.110 9.559 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.454 -5.732 8.210 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.976 -6.928 9.438 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.737 -8.260 9.635 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.218 -9.178 9.503 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.530 -9.456 8.333 1.00 0.00 H new ATOM 446 N LEU A 35 1.788 -6.594 6.378 1.00 0.00 N ATOM 447 CA LEU A 35 1.234 -5.534 5.547 1.00 0.00 C ATOM 448 C LEU A 35 2.244 -4.404 5.370 1.00 0.00 C ATOM 449 O LEU A 35 2.977 -4.053 6.302 1.00 0.00 O ATOM 450 CB LEU A 35 -0.088 -4.983 6.126 1.00 0.00 C ATOM 451 CG LEU A 35 0.002 -4.222 7.463 1.00 0.00 C ATOM 452 CD1 LEU A 35 -1.226 -3.351 7.658 1.00 0.00 C ATOM 453 CD2 LEU A 35 0.145 -5.187 8.634 1.00 0.00 C ATOM 0 H LEU A 35 1.213 -6.843 7.183 1.00 0.00 H new ATOM 0 HA LEU A 35 1.015 -5.968 4.572 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.532 -4.317 5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.776 -5.818 6.256 1.00 0.00 H new ATOM 0 HG LEU A 35 0.888 -3.588 7.430 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.148 -2.820 8.607 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.294 -2.630 6.843 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.119 -3.977 7.665 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.206 -4.623 9.565 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.720 -5.849 8.667 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.051 -5.780 8.508 1.00 0.00 H new ATOM 465 N ARG A 36 2.276 -3.849 4.175 1.00 0.00 N ATOM 466 CA ARG A 36 3.219 -2.799 3.843 1.00 0.00 C ATOM 467 C ARG A 36 2.922 -1.520 4.610 1.00 0.00 C ATOM 468 O ARG A 36 1.817 -1.323 5.133 1.00 0.00 O ATOM 469 CB ARG A 36 3.182 -2.502 2.349 1.00 0.00 C ATOM 470 CG ARG A 36 1.933 -1.758 1.909 1.00 0.00 C ATOM 471 CD ARG A 36 2.011 -1.361 0.453 1.00 0.00 C ATOM 472 NE ARG A 36 0.920 -0.461 0.071 1.00 0.00 N ATOM 473 CZ ARG A 36 1.013 0.873 0.092 1.00 0.00 C ATOM 474 NH1 ARG A 36 2.117 1.456 0.542 1.00 0.00 N ATOM 475 NH2 ARG A 36 -0.007 1.621 -0.322 1.00 0.00 N ATOM 0 H ARG A 36 1.653 -4.111 3.411 1.00 0.00 H new ATOM 0 HA ARG A 36 4.210 -3.154 4.125 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.059 -1.913 2.082 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.249 -3.440 1.798 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.058 -2.387 2.070 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.803 -0.867 2.524 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.967 -0.874 0.261 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.978 -2.255 -0.169 1.00 0.00 H new ATOM 0 HE ARG A 36 0.038 -0.876 -0.229 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.896 0.887 0.872 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.186 2.474 0.557 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.862 1.177 -0.656 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.067 2.638 -0.305 1.00 0.00 H new ATOM 489 N THR A 37 3.901 -0.650 4.650 1.00 0.00 N ATOM 490 CA THR A 37 3.762 0.623 5.287 1.00 0.00 C ATOM 491 C THR A 37 2.902 1.546 4.444 1.00 0.00 C ATOM 492 O THR A 37 3.122 1.691 3.237 1.00 0.00 O ATOM 493 CB THR A 37 5.133 1.252 5.520 1.00 0.00 C ATOM 494 OG1 THR A 37 6.036 0.822 4.485 1.00 0.00 O ATOM 495 CG2 THR A 37 5.678 0.845 6.872 1.00 0.00 C ATOM 0 H THR A 37 4.819 -0.812 4.237 1.00 0.00 H new ATOM 0 HA THR A 37 3.275 0.475 6.251 1.00 0.00 H new ATOM 0 HB THR A 37 5.034 2.337 5.496 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.058 1.492 3.771 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.656 1.302 7.023 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.997 1.179 7.655 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.774 -0.240 6.914 1.00 0.00 H new ATOM 503 N GLY A 38 1.914 2.148 5.074 1.00 0.00 N ATOM 504 CA GLY A 38 1.024 3.023 4.368 1.00 0.00 C ATOM 505 C GLY A 38 0.093 2.258 3.458 1.00 0.00 C ATOM 506 O GLY A 38 -0.245 2.728 2.364 1.00 0.00 O ATOM 0 H GLY A 38 1.714 2.043 6.069 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.439 3.602 5.083 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.604 3.735 3.780 1.00 0.00 H new ATOM 510 N VAL A 39 -0.308 1.073 3.921 1.00 0.00 N ATOM 511 CA VAL A 39 -1.184 0.157 3.186 1.00 0.00 C ATOM 512 C VAL A 39 -2.391 0.874 2.538 1.00 0.00 C ATOM 513 O VAL A 39 -2.870 1.903 3.029 1.00 0.00 O ATOM 514 CB VAL A 39 -1.679 -0.989 4.120 1.00 0.00 C ATOM 515 CG1 VAL A 39 -2.577 -0.454 5.222 1.00 0.00 C ATOM 516 CG2 VAL A 39 -2.382 -2.083 3.332 1.00 0.00 C ATOM 0 H VAL A 39 -0.028 0.716 4.834 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.589 -0.264 2.375 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.799 -1.429 4.589 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.905 -1.278 5.856 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.025 0.268 5.823 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.446 0.032 4.779 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.714 -2.866 4.014 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.244 -1.662 2.815 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.692 -2.506 2.602 1.00 0.00 H new ATOM 526 N SER A 40 -2.847 0.331 1.421 1.00 0.00 N ATOM 527 CA SER A 40 -3.971 0.881 0.694 1.00 0.00 C ATOM 528 C SER A 40 -5.283 0.297 1.224 1.00 0.00 C ATOM 529 O SER A 40 -5.324 -0.851 1.665 1.00 0.00 O ATOM 530 CB SER A 40 -3.820 0.566 -0.793 1.00 0.00 C ATOM 531 OG SER A 40 -2.547 0.986 -1.281 1.00 0.00 O ATOM 0 H SER A 40 -2.445 -0.504 0.995 1.00 0.00 H new ATOM 0 HA SER A 40 -3.992 1.962 0.834 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.939 -0.505 -0.955 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.610 1.063 -1.355 1.00 0.00 H new ATOM 0 HG SER A 40 -2.475 0.771 -2.235 1.00 0.00 H new ATOM 537 N GLN A 41 -6.350 1.079 1.151 1.00 0.00 N ATOM 538 CA GLN A 41 -7.657 0.657 1.646 1.00 0.00 C ATOM 539 C GLN A 41 -8.267 -0.425 0.767 1.00 0.00 C ATOM 540 O GLN A 41 -9.243 -1.048 1.141 1.00 0.00 O ATOM 541 CB GLN A 41 -8.627 1.845 1.756 1.00 0.00 C ATOM 542 CG GLN A 41 -9.388 2.198 0.479 1.00 0.00 C ATOM 543 CD GLN A 41 -8.551 2.895 -0.579 1.00 0.00 C ATOM 544 OE1 GLN A 41 -7.351 2.660 -0.721 1.00 0.00 O ATOM 545 NE2 GLN A 41 -9.185 3.762 -1.318 1.00 0.00 N ATOM 0 H GLN A 41 -6.338 2.017 0.751 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.496 0.244 2.642 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.352 1.628 2.541 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.064 2.722 2.076 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.802 1.284 0.053 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.231 2.839 0.738 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.180 3.928 -1.169 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.686 4.274 -2.045 1.00 0.00 H new ATOM 554 N GLN A 42 -7.696 -0.627 -0.408 1.00 0.00 N ATOM 555 CA GLN A 42 -8.189 -1.642 -1.335 1.00 0.00 C ATOM 556 C GLN A 42 -8.233 -3.014 -0.670 1.00 0.00 C ATOM 557 O GLN A 42 -9.087 -3.837 -0.985 1.00 0.00 O ATOM 558 CB GLN A 42 -7.315 -1.692 -2.585 1.00 0.00 C ATOM 559 CG GLN A 42 -7.246 -0.370 -3.329 1.00 0.00 C ATOM 560 CD GLN A 42 -8.604 0.104 -3.825 1.00 0.00 C ATOM 561 OE1 GLN A 42 -9.484 -0.697 -4.127 1.00 0.00 O ATOM 562 NE2 GLN A 42 -8.778 1.408 -3.911 1.00 0.00 N ATOM 0 H GLN A 42 -6.889 -0.103 -0.747 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.204 -1.369 -1.625 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.307 -1.994 -2.302 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.700 -2.459 -3.257 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.820 0.389 -2.672 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.570 -0.472 -4.178 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.022 2.042 -3.651 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.668 1.783 -4.238 1.00 0.00 H new ATOM 571 N ILE A 43 -7.308 -3.252 0.250 1.00 0.00 N ATOM 572 CA ILE A 43 -7.270 -4.511 0.971 1.00 0.00 C ATOM 573 C ILE A 43 -8.206 -4.505 2.193 1.00 0.00 C ATOM 574 O ILE A 43 -8.930 -5.466 2.426 1.00 0.00 O ATOM 575 CB ILE A 43 -5.814 -4.919 1.370 1.00 0.00 C ATOM 576 CG1 ILE A 43 -5.139 -3.865 2.253 1.00 0.00 C ATOM 577 CG2 ILE A 43 -4.982 -5.165 0.127 1.00 0.00 C ATOM 578 CD1 ILE A 43 -5.270 -4.128 3.744 1.00 0.00 C ATOM 0 H ILE A 43 -6.577 -2.590 0.512 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.640 -5.271 0.283 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.882 -5.838 1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.081 -3.814 1.996 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.569 -2.889 2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.970 -5.448 0.417 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.430 -5.968 -0.458 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.946 -4.256 -0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.766 -3.337 4.299 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.325 -4.148 4.019 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.814 -5.088 3.986 1.00 0.00 H new ATOM 590 N ALA A 44 -8.180 -3.421 2.964 1.00 0.00 N ATOM 591 CA ALA A 44 -9.016 -3.305 4.159 1.00 0.00 C ATOM 592 C ALA A 44 -10.420 -2.805 3.820 1.00 0.00 C ATOM 593 O ALA A 44 -11.392 -3.551 3.916 1.00 0.00 O ATOM 594 CB ALA A 44 -8.352 -2.396 5.183 1.00 0.00 C ATOM 0 H ALA A 44 -7.589 -2.609 2.784 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.121 -4.301 4.590 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.986 -2.319 6.067 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.385 -2.811 5.465 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.209 -1.405 4.752 1.00 0.00 H new ATOM 600 N SER A 45 -10.499 -1.513 3.461 1.00 0.00 N ATOM 601 CA SER A 45 -11.745 -0.829 3.068 1.00 0.00 C ATOM 602 C SER A 45 -12.566 -0.434 4.298 1.00 0.00 C ATOM 603 O SER A 45 -13.408 0.467 4.235 1.00 0.00 O ATOM 604 CB SER A 45 -12.585 -1.689 2.099 1.00 0.00 C ATOM 605 OG SER A 45 -13.679 -0.955 1.560 1.00 0.00 O ATOM 0 H SER A 45 -9.683 -0.902 3.435 1.00 0.00 H new ATOM 0 HA SER A 45 -11.464 0.082 2.540 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.952 -2.047 1.287 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.959 -2.568 2.623 1.00 0.00 H new ATOM 0 HG SER A 45 -14.189 -1.528 0.950 1.00 0.00 H new ATOM 611 N SER A 46 -12.297 -1.092 5.412 1.00 0.00 N ATOM 612 CA SER A 46 -13.018 -0.852 6.631 1.00 0.00 C ATOM 613 C SER A 46 -12.528 0.416 7.346 1.00 0.00 C ATOM 614 O SER A 46 -12.929 1.526 7.003 1.00 0.00 O ATOM 615 CB SER A 46 -12.920 -2.079 7.536 1.00 0.00 C ATOM 616 OG SER A 46 -11.562 -2.471 7.730 1.00 0.00 O ATOM 0 H SER A 46 -11.572 -1.805 5.488 1.00 0.00 H new ATOM 0 HA SER A 46 -14.066 -0.681 6.383 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.379 -1.860 8.500 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.480 -2.904 7.096 1.00 0.00 H new ATOM 0 HG SER A 46 -11.529 -3.257 8.314 1.00 0.00 H new ATOM 622 N VAL A 47 -11.643 0.249 8.311 1.00 0.00 N ATOM 623 CA VAL A 47 -11.140 1.380 9.073 1.00 0.00 C ATOM 624 C VAL A 47 -9.777 1.828 8.563 1.00 0.00 C ATOM 625 O VAL A 47 -9.464 3.021 8.551 1.00 0.00 O ATOM 626 CB VAL A 47 -11.066 1.071 10.596 1.00 0.00 C ATOM 627 CG1 VAL A 47 -12.456 0.802 11.152 1.00 0.00 C ATOM 628 CG2 VAL A 47 -10.148 -0.117 10.878 1.00 0.00 C ATOM 0 H VAL A 47 -11.258 -0.655 8.586 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.851 2.194 8.930 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.648 1.947 11.093 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.386 0.588 12.218 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -13.085 1.679 10.999 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -12.894 -0.053 10.638 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.118 -0.307 11.951 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.527 -1.000 10.364 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.143 0.107 10.521 1.00 0.00 H new ATOM 638 N VAL A 48 -8.972 0.872 8.133 1.00 0.00 N ATOM 639 CA VAL A 48 -7.645 1.169 7.635 1.00 0.00 C ATOM 640 C VAL A 48 -7.699 1.626 6.185 1.00 0.00 C ATOM 641 O VAL A 48 -7.515 0.831 5.264 1.00 0.00 O ATOM 642 CB VAL A 48 -6.698 -0.044 7.760 1.00 0.00 C ATOM 643 CG1 VAL A 48 -5.264 0.355 7.447 1.00 0.00 C ATOM 644 CG2 VAL A 48 -6.796 -0.654 9.144 1.00 0.00 C ATOM 0 H VAL A 48 -9.217 -0.118 8.120 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.250 1.976 8.252 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.006 -0.794 7.032 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.615 -0.516 7.542 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.208 0.741 6.429 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.940 1.126 8.146 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.122 -1.508 9.214 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.518 0.090 9.890 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.819 -0.984 9.325 1.00 0.00 H new ATOM 654 N GLN A 49 -8.017 2.886 5.984 1.00 0.00 N ATOM 655 CA GLN A 49 -8.047 3.443 4.645 1.00 0.00 C ATOM 656 C GLN A 49 -6.648 3.856 4.211 1.00 0.00 C ATOM 657 O GLN A 49 -6.199 3.549 3.110 1.00 0.00 O ATOM 658 CB GLN A 49 -8.983 4.647 4.576 1.00 0.00 C ATOM 659 CG GLN A 49 -10.404 4.362 5.025 1.00 0.00 C ATOM 660 CD GLN A 49 -11.300 5.572 4.875 1.00 0.00 C ATOM 661 OE1 GLN A 49 -11.937 5.763 3.842 1.00 0.00 O ATOM 662 NE2 GLN A 49 -11.351 6.399 5.895 1.00 0.00 N ATOM 0 H GLN A 49 -8.258 3.544 6.726 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.419 2.673 3.970 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.573 5.446 5.193 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.006 5.016 3.551 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.810 3.536 4.441 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.398 4.043 6.067 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.807 6.206 6.736 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.934 7.234 5.846 1.00 0.00 H new ATOM 671 N ARG A 50 -5.977 4.565 5.091 1.00 0.00 N ATOM 672 CA ARG A 50 -4.646 5.074 4.830 1.00 0.00 C ATOM 673 C ARG A 50 -3.661 4.638 5.905 1.00 0.00 C ATOM 674 O ARG A 50 -2.449 4.777 5.730 1.00 0.00 O ATOM 675 CB ARG A 50 -4.716 6.597 4.805 1.00 0.00 C ATOM 676 CG ARG A 50 -3.385 7.317 4.652 1.00 0.00 C ATOM 677 CD ARG A 50 -2.897 7.291 3.226 1.00 0.00 C ATOM 678 NE ARG A 50 -2.667 5.924 2.739 1.00 0.00 N ATOM 679 CZ ARG A 50 -2.938 5.504 1.495 1.00 0.00 C ATOM 680 NH1 ARG A 50 -3.404 6.361 0.578 1.00 0.00 N ATOM 681 NH2 ARG A 50 -2.743 4.228 1.170 1.00 0.00 N ATOM 0 H ARG A 50 -6.340 4.807 6.013 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.298 4.678 3.876 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.368 6.899 3.985 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.187 6.936 5.728 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.491 8.351 4.982 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.642 6.850 5.299 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.628 7.784 2.585 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.971 7.861 3.151 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.274 5.247 3.393 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.555 7.339 0.824 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.608 6.036 -0.367 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.388 3.573 1.867 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.948 3.905 0.224 1.00 0.00 H new ATOM 695 N ALA A 51 -4.195 4.113 7.011 1.00 0.00 N ATOM 696 CA ALA A 51 -3.407 3.766 8.206 1.00 0.00 C ATOM 697 C ALA A 51 -3.003 5.038 8.956 1.00 0.00 C ATOM 698 O ALA A 51 -3.249 5.166 10.148 1.00 0.00 O ATOM 699 CB ALA A 51 -2.188 2.898 7.872 1.00 0.00 C ATOM 0 H ALA A 51 -5.191 3.914 7.107 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.039 3.162 8.857 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.642 2.671 8.787 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.519 1.970 7.407 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.536 3.436 7.184 1.00 0.00 H new ATOM 705 N ALA A 52 -2.401 5.985 8.239 1.00 0.00 N ATOM 706 CA ALA A 52 -2.036 7.262 8.827 1.00 0.00 C ATOM 707 C ALA A 52 -3.266 8.124 9.025 1.00 0.00 C ATOM 708 O ALA A 52 -4.260 7.984 8.304 1.00 0.00 O ATOM 709 CB ALA A 52 -1.019 7.990 7.974 1.00 0.00 C ATOM 0 H ALA A 52 -2.158 5.888 7.253 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.582 7.064 9.798 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.767 8.942 8.441 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.119 7.382 7.881 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.438 8.172 6.984 1.00 0.00 H new ATOM 715 N GLN A 53 -3.171 9.043 9.966 1.00 0.00 N ATOM 716 CA GLN A 53 -4.279 9.911 10.359 1.00 0.00 C ATOM 717 C GLN A 53 -4.783 10.774 9.199 1.00 0.00 C ATOM 718 O GLN A 53 -5.883 11.286 9.250 1.00 0.00 O ATOM 719 CB GLN A 53 -3.866 10.825 11.527 1.00 0.00 C ATOM 720 CG GLN A 53 -3.317 10.096 12.753 1.00 0.00 C ATOM 721 CD GLN A 53 -1.950 9.478 12.527 1.00 0.00 C ATOM 722 OE1 GLN A 53 -1.138 9.989 11.756 1.00 0.00 O ATOM 723 NE2 GLN A 53 -1.695 8.371 13.180 1.00 0.00 N ATOM 0 H GLN A 53 -2.313 9.215 10.490 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.091 9.255 10.671 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.111 11.526 11.171 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.731 11.415 11.831 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.257 10.796 13.586 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.017 9.313 13.044 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.394 7.978 13.810 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -0.797 7.902 13.058 1.00 0.00 H new ATOM 732 N SER A 54 -3.968 10.926 8.168 1.00 0.00 N ATOM 733 CA SER A 54 -4.321 11.757 7.024 1.00 0.00 C ATOM 734 C SER A 54 -5.627 11.294 6.343 1.00 0.00 C ATOM 735 O SER A 54 -6.691 11.874 6.558 1.00 0.00 O ATOM 736 CB SER A 54 -3.159 11.793 6.018 1.00 0.00 C ATOM 737 OG SER A 54 -3.444 12.649 4.926 1.00 0.00 O ATOM 0 H SER A 54 -3.052 10.483 8.098 1.00 0.00 H new ATOM 0 HA SER A 54 -4.502 12.766 7.394 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.252 12.131 6.520 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.963 10.786 5.651 1.00 0.00 H new ATOM 0 HG SER A 54 -2.685 12.651 4.306 1.00 0.00 H new ATOM 743 N LEU A 55 -5.538 10.259 5.531 1.00 0.00 N ATOM 744 CA LEU A 55 -6.700 9.766 4.800 1.00 0.00 C ATOM 745 C LEU A 55 -7.537 8.767 5.610 1.00 0.00 C ATOM 746 O LEU A 55 -8.714 8.566 5.323 1.00 0.00 O ATOM 747 CB LEU A 55 -6.286 9.170 3.444 1.00 0.00 C ATOM 748 CG LEU A 55 -6.077 10.165 2.311 1.00 0.00 C ATOM 749 CD1 LEU A 55 -5.637 9.434 1.055 1.00 0.00 C ATOM 750 CD2 LEU A 55 -7.351 10.952 2.053 1.00 0.00 C ATOM 0 H LEU A 55 -4.677 9.741 5.358 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.341 10.629 4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.362 8.610 3.583 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.049 8.455 3.136 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.295 10.868 2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.489 10.152 0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.702 8.909 1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.403 8.715 0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.184 11.659 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.153 10.267 1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.631 11.496 2.955 1.00 0.00 H new ATOM 762 N ALA A 56 -6.929 8.135 6.611 1.00 0.00 N ATOM 763 CA ALA A 56 -7.631 7.127 7.404 1.00 0.00 C ATOM 764 C ALA A 56 -8.576 7.739 8.416 1.00 0.00 C ATOM 765 O ALA A 56 -9.478 7.060 8.901 1.00 0.00 O ATOM 766 CB ALA A 56 -6.664 6.195 8.103 1.00 0.00 C ATOM 0 H ALA A 56 -5.962 8.300 6.891 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.227 6.551 6.696 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.222 5.460 8.683 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.051 5.683 7.361 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.022 6.770 8.769 1.00 0.00 H new ATOM 772 N SER A 57 -8.356 9.006 8.748 1.00 0.00 N ATOM 773 CA SER A 57 -9.179 9.692 9.736 1.00 0.00 C ATOM 774 C SER A 57 -10.654 9.638 9.338 1.00 0.00 C ATOM 775 O SER A 57 -11.104 10.373 8.460 1.00 0.00 O ATOM 776 CB SER A 57 -8.723 11.145 9.902 1.00 0.00 C ATOM 777 OG SER A 57 -9.294 11.733 11.060 1.00 0.00 O ATOM 0 H SER A 57 -7.614 9.579 8.347 1.00 0.00 H new ATOM 0 HA SER A 57 -9.061 9.182 10.692 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.636 11.182 9.971 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.007 11.721 9.021 1.00 0.00 H new ATOM 0 HG SER A 57 -8.985 12.659 11.143 1.00 0.00 H new ATOM 783 N THR A 58 -11.387 8.738 9.965 1.00 0.00 N ATOM 784 CA THR A 58 -12.787 8.581 9.677 1.00 0.00 C ATOM 785 C THR A 58 -13.565 8.189 10.945 1.00 0.00 C ATOM 786 O THR A 58 -14.725 8.561 11.112 1.00 0.00 O ATOM 787 CB THR A 58 -13.011 7.544 8.535 1.00 0.00 C ATOM 788 OG1 THR A 58 -14.360 7.616 8.055 1.00 0.00 O ATOM 789 CG2 THR A 58 -12.711 6.124 9.004 1.00 0.00 C ATOM 0 H THR A 58 -11.028 8.105 10.679 1.00 0.00 H new ATOM 0 HA THR A 58 -13.171 9.541 9.331 1.00 0.00 H new ATOM 0 HB THR A 58 -12.323 7.791 7.727 1.00 0.00 H new ATOM 0 HG1 THR A 58 -14.487 6.961 7.337 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.878 5.427 8.183 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.673 6.060 9.329 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.368 5.869 9.835 1.00 0.00 H new ATOM 797 N LEU A 59 -12.911 7.439 11.831 1.00 0.00 N ATOM 798 CA LEU A 59 -13.512 7.053 13.106 1.00 0.00 C ATOM 799 C LEU A 59 -12.651 7.553 14.257 1.00 0.00 C ATOM 800 O LEU A 59 -12.768 7.082 15.386 1.00 0.00 O ATOM 801 CB LEU A 59 -13.667 5.525 13.204 1.00 0.00 C ATOM 802 CG LEU A 59 -14.644 4.869 12.221 1.00 0.00 C ATOM 803 CD1 LEU A 59 -14.718 3.374 12.469 1.00 0.00 C ATOM 804 CD2 LEU A 59 -16.025 5.493 12.335 1.00 0.00 C ATOM 0 H LEU A 59 -11.964 7.087 11.689 1.00 0.00 H new ATOM 0 HA LEU A 59 -14.502 7.505 13.165 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.685 5.073 13.061 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.987 5.279 14.217 1.00 0.00 H new ATOM 0 HG LEU A 59 -14.276 5.038 11.209 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -15.415 2.922 11.764 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -13.730 2.934 12.335 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -15.062 3.191 13.487 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -16.701 5.012 11.628 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -16.403 5.358 13.348 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -15.963 6.558 12.110 1.00 0.00 H new ATOM 816 N GLY A 60 -11.798 8.523 13.969 1.00 0.00 N ATOM 817 CA GLY A 60 -10.886 9.022 14.975 1.00 0.00 C ATOM 818 C GLY A 60 -9.651 8.157 15.066 1.00 0.00 C ATOM 819 O GLY A 60 -9.437 7.471 16.065 1.00 0.00 O ATOM 0 H GLY A 60 -11.721 8.973 13.057 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.600 10.046 14.735 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.387 9.049 15.943 1.00 0.00 H new ATOM 823 N VAL A 61 -8.852 8.177 14.012 1.00 0.00 N ATOM 824 CA VAL A 61 -7.648 7.358 13.929 1.00 0.00 C ATOM 825 C VAL A 61 -6.427 8.160 14.316 1.00 0.00 C ATOM 826 O VAL A 61 -6.059 9.098 13.619 1.00 0.00 O ATOM 827 CB VAL A 61 -7.430 6.830 12.495 1.00 0.00 C ATOM 828 CG1 VAL A 61 -6.193 5.947 12.419 1.00 0.00 C ATOM 829 CG2 VAL A 61 -8.657 6.095 11.986 1.00 0.00 C ATOM 0 H VAL A 61 -9.017 8.759 13.191 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.786 6.522 14.615 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.267 7.691 11.847 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.064 5.589 11.398 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.316 6.523 12.715 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.312 5.096 13.089 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.472 5.735 10.974 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.871 5.248 12.638 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.511 6.773 11.980 1.00 0.00 H new ATOM 839 N ASP A 62 -5.809 7.795 15.426 1.00 0.00 N ATOM 840 CA ASP A 62 -4.586 8.447 15.874 1.00 0.00 C ATOM 841 C ASP A 62 -3.978 7.690 17.040 1.00 0.00 C ATOM 842 O ASP A 62 -4.160 8.056 18.201 1.00 0.00 O ATOM 843 CB ASP A 62 -4.840 9.907 16.258 1.00 0.00 C ATOM 844 CG ASP A 62 -3.582 10.616 16.703 1.00 0.00 C ATOM 845 OD1 ASP A 62 -2.653 10.766 15.882 1.00 0.00 O ATOM 846 OD2 ASP A 62 -3.513 11.022 17.874 1.00 0.00 O ATOM 0 H ASP A 62 -6.135 7.047 16.038 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.880 8.439 15.043 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.268 10.434 15.405 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.578 9.945 17.060 1.00 0.00 H new ATOM 851 N GLY A 63 -3.300 6.594 16.725 1.00 0.00 N ATOM 852 CA GLY A 63 -2.660 5.776 17.749 1.00 0.00 C ATOM 853 C GLY A 63 -3.646 4.917 18.525 1.00 0.00 C ATOM 854 O GLY A 63 -3.418 3.724 18.723 1.00 0.00 O ATOM 0 H GLY A 63 -3.179 6.251 15.772 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.916 5.132 17.280 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.127 6.425 18.444 1.00 0.00 H new ATOM 858 N ASN A 64 -4.745 5.531 18.938 1.00 0.00 N ATOM 859 CA ASN A 64 -5.788 4.891 19.735 1.00 0.00 C ATOM 860 C ASN A 64 -6.288 3.570 19.115 1.00 0.00 C ATOM 861 O ASN A 64 -5.954 2.488 19.595 1.00 0.00 O ATOM 862 CB ASN A 64 -6.955 5.883 19.975 1.00 0.00 C ATOM 863 CG ASN A 64 -7.604 6.404 18.696 1.00 0.00 C ATOM 864 OD1 ASN A 64 -6.967 6.490 17.644 1.00 0.00 O ATOM 865 ND2 ASN A 64 -8.867 6.752 18.779 1.00 0.00 N ATOM 0 H ASN A 64 -4.943 6.509 18.725 1.00 0.00 H new ATOM 0 HA ASN A 64 -5.349 4.622 20.696 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.716 5.392 20.582 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -6.585 6.730 20.553 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.353 7.107 17.956 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.362 6.667 19.667 1.00 0.00 H new ATOM 872 N ASN A 65 -7.067 3.659 18.054 1.00 0.00 N ATOM 873 CA ASN A 65 -7.585 2.477 17.395 1.00 0.00 C ATOM 874 C ASN A 65 -6.570 1.955 16.403 1.00 0.00 C ATOM 875 O ASN A 65 -6.634 0.815 15.975 1.00 0.00 O ATOM 876 CB ASN A 65 -8.921 2.781 16.687 1.00 0.00 C ATOM 877 CG ASN A 65 -8.780 3.732 15.505 1.00 0.00 C ATOM 878 OD1 ASN A 65 -7.889 4.581 15.469 1.00 0.00 O ATOM 879 ND2 ASN A 65 -9.671 3.603 14.542 1.00 0.00 N ATOM 0 H ASN A 65 -7.355 4.541 17.630 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.771 1.713 18.150 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.360 1.846 16.340 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -9.616 3.211 17.408 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.637 4.219 13.730 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.394 2.887 14.609 1.00 0.00 H new ATOM 886 N LEU A 66 -5.620 2.802 16.070 1.00 0.00 N ATOM 887 CA LEU A 66 -4.586 2.481 15.108 1.00 0.00 C ATOM 888 C LEU A 66 -3.703 1.330 15.590 1.00 0.00 C ATOM 889 O LEU A 66 -3.446 0.382 14.849 1.00 0.00 O ATOM 890 CB LEU A 66 -3.740 3.721 14.837 1.00 0.00 C ATOM 891 CG LEU A 66 -2.575 3.540 13.872 1.00 0.00 C ATOM 892 CD1 LEU A 66 -3.067 3.080 12.509 1.00 0.00 C ATOM 893 CD2 LEU A 66 -1.786 4.832 13.754 1.00 0.00 C ATOM 0 H LEU A 66 -5.542 3.740 16.462 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.067 2.157 14.185 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.392 4.502 14.445 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.346 4.082 15.787 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.916 2.767 14.267 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.217 2.958 11.838 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.588 2.128 12.612 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.750 3.824 12.098 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.956 4.690 13.062 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.437 5.623 13.382 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.398 5.112 14.733 1.00 0.00 H new ATOM 905 N ALA A 67 -3.263 1.407 16.832 1.00 0.00 N ATOM 906 CA ALA A 67 -2.378 0.394 17.386 1.00 0.00 C ATOM 907 C ALA A 67 -3.124 -0.896 17.718 1.00 0.00 C ATOM 908 O ALA A 67 -2.508 -1.942 17.926 1.00 0.00 O ATOM 909 CB ALA A 67 -1.680 0.927 18.623 1.00 0.00 C ATOM 0 H ALA A 67 -3.503 2.159 17.478 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.635 0.157 16.625 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.021 0.159 19.028 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.093 1.807 18.359 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.424 1.198 19.372 1.00 0.00 H new ATOM 915 N ARG A 68 -4.447 -0.827 17.761 1.00 0.00 N ATOM 916 CA ARG A 68 -5.238 -1.993 18.117 1.00 0.00 C ATOM 917 C ARG A 68 -6.208 -2.384 17.004 1.00 0.00 C ATOM 918 O ARG A 68 -5.893 -3.220 16.165 1.00 0.00 O ATOM 919 CB ARG A 68 -6.005 -1.754 19.424 1.00 0.00 C ATOM 920 CG ARG A 68 -5.131 -1.328 20.589 1.00 0.00 C ATOM 921 CD ARG A 68 -5.952 -1.144 21.854 1.00 0.00 C ATOM 922 NE ARG A 68 -5.166 -0.546 22.930 1.00 0.00 N ATOM 923 CZ ARG A 68 -5.551 -0.479 24.203 1.00 0.00 C ATOM 924 NH1 ARG A 68 -6.693 -1.039 24.594 1.00 0.00 N ATOM 925 NH2 ARG A 68 -4.780 0.132 25.089 1.00 0.00 N ATOM 0 H ARG A 68 -4.988 0.013 17.557 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.542 -2.820 18.260 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.762 -0.988 19.253 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.532 -2.669 19.695 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.358 -2.077 20.760 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.623 -0.396 20.344 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.814 -0.512 21.639 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.338 -2.110 22.180 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.257 -0.151 22.689 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.281 -1.524 23.917 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.980 -0.983 25.571 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.896 0.548 24.795 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.070 0.187 26.065 1.00 0.00 H new ATOM 939 N PHE A 69 -7.370 -1.739 16.987 1.00 0.00 N ATOM 940 CA PHE A 69 -8.450 -2.062 16.050 1.00 0.00 C ATOM 941 C PHE A 69 -7.997 -2.091 14.586 1.00 0.00 C ATOM 942 O PHE A 69 -8.428 -2.948 13.821 1.00 0.00 O ATOM 943 CB PHE A 69 -9.617 -1.088 16.228 1.00 0.00 C ATOM 944 CG PHE A 69 -10.297 -1.205 17.565 1.00 0.00 C ATOM 945 CD1 PHE A 69 -11.216 -2.215 17.804 1.00 0.00 C ATOM 946 CD2 PHE A 69 -10.018 -0.308 18.584 1.00 0.00 C ATOM 947 CE1 PHE A 69 -11.841 -2.327 19.031 1.00 0.00 C ATOM 948 CE2 PHE A 69 -10.640 -0.416 19.813 1.00 0.00 C ATOM 949 CZ PHE A 69 -11.552 -1.428 20.036 1.00 0.00 C ATOM 0 H PHE A 69 -7.594 -0.974 17.624 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.776 -3.074 16.291 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.252 -0.069 16.103 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.350 -1.263 15.440 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.446 -2.923 17.022 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.305 0.486 18.415 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.556 -3.118 19.203 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.413 0.290 20.598 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.039 -1.516 20.996 1.00 0.00 H new ATOM 959 N ALA A 70 -7.131 -1.165 14.212 1.00 0.00 N ATOM 960 CA ALA A 70 -6.648 -1.072 12.838 1.00 0.00 C ATOM 961 C ALA A 70 -5.836 -2.305 12.440 1.00 0.00 C ATOM 962 O ALA A 70 -6.168 -2.990 11.471 1.00 0.00 O ATOM 963 CB ALA A 70 -5.826 0.192 12.652 1.00 0.00 C ATOM 0 H ALA A 70 -6.744 -0.462 14.842 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.518 -1.027 12.182 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.472 0.248 11.622 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.443 1.063 12.871 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.972 0.173 13.329 1.00 0.00 H new ATOM 969 N VAL A 71 -4.782 -2.591 13.194 1.00 0.00 N ATOM 970 CA VAL A 71 -3.927 -3.737 12.898 1.00 0.00 C ATOM 971 C VAL A 71 -4.691 -5.051 13.045 1.00 0.00 C ATOM 972 O VAL A 71 -4.526 -5.947 12.234 1.00 0.00 O ATOM 973 CB VAL A 71 -2.625 -3.737 13.760 1.00 0.00 C ATOM 974 CG1 VAL A 71 -2.927 -3.863 15.248 1.00 0.00 C ATOM 975 CG2 VAL A 71 -1.668 -4.831 13.300 1.00 0.00 C ATOM 0 H VAL A 71 -4.499 -2.050 14.011 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.619 -3.644 11.857 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.138 -2.773 13.612 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.993 -3.859 15.810 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.546 -3.024 15.566 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.458 -4.797 15.434 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.769 -4.810 13.916 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.152 -5.803 13.397 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.398 -4.663 12.257 1.00 0.00 H new ATOM 985 N GLN A 72 -5.565 -5.138 14.049 1.00 0.00 N ATOM 986 CA GLN A 72 -6.356 -6.351 14.275 1.00 0.00 C ATOM 987 C GLN A 72 -7.324 -6.596 13.122 1.00 0.00 C ATOM 988 O GLN A 72 -7.590 -7.736 12.755 1.00 0.00 O ATOM 989 CB GLN A 72 -7.144 -6.253 15.576 1.00 0.00 C ATOM 990 CG GLN A 72 -6.291 -6.116 16.823 1.00 0.00 C ATOM 991 CD GLN A 72 -7.122 -5.980 18.092 1.00 0.00 C ATOM 992 OE1 GLN A 72 -6.686 -6.363 19.176 1.00 0.00 O ATOM 993 NE2 GLN A 72 -8.331 -5.452 17.964 1.00 0.00 N ATOM 0 H GLN A 72 -5.743 -4.387 14.716 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.658 -7.185 14.340 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.815 -5.396 15.515 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.769 -7.141 15.675 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.641 -6.987 16.911 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.644 -5.244 16.722 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -8.659 -5.145 17.048 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -8.933 -5.352 18.781 1.00 0.00 H new ATOM 1002 N ALA A 73 -7.848 -5.521 12.556 1.00 0.00 N ATOM 1003 CA ALA A 73 -8.798 -5.619 11.461 1.00 0.00 C ATOM 1004 C ALA A 73 -8.163 -6.237 10.227 1.00 0.00 C ATOM 1005 O ALA A 73 -8.783 -7.046 9.545 1.00 0.00 O ATOM 1006 CB ALA A 73 -9.376 -4.252 11.128 1.00 0.00 C ATOM 0 H ALA A 73 -7.630 -4.566 12.839 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.607 -6.273 11.786 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.085 -4.347 10.306 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.887 -3.850 12.003 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.571 -3.578 10.837 1.00 0.00 H new ATOM 1012 N VAL A 74 -6.924 -5.863 9.954 1.00 0.00 N ATOM 1013 CA VAL A 74 -6.221 -6.364 8.786 1.00 0.00 C ATOM 1014 C VAL A 74 -5.529 -7.692 9.075 1.00 0.00 C ATOM 1015 O VAL A 74 -5.564 -8.612 8.257 1.00 0.00 O ATOM 1016 CB VAL A 74 -5.183 -5.340 8.265 1.00 0.00 C ATOM 1017 CG1 VAL A 74 -4.450 -5.882 7.043 1.00 0.00 C ATOM 1018 CG2 VAL A 74 -5.860 -4.021 7.936 1.00 0.00 C ATOM 0 H VAL A 74 -6.384 -5.214 10.526 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.973 -6.523 8.014 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.449 -5.169 9.052 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.726 -5.144 6.696 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.931 -6.803 7.309 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.168 -6.087 6.249 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.117 -3.312 7.571 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.616 -4.182 7.168 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.333 -3.621 8.833 1.00 0.00 H new ATOM 1028 N SER A 75 -4.928 -7.796 10.243 1.00 0.00 N ATOM 1029 CA SER A 75 -4.195 -8.989 10.621 1.00 0.00 C ATOM 1030 C SER A 75 -5.133 -10.200 10.730 1.00 0.00 C ATOM 1031 O SER A 75 -4.726 -11.343 10.504 1.00 0.00 O ATOM 1032 CB SER A 75 -3.461 -8.746 11.943 1.00 0.00 C ATOM 1033 OG SER A 75 -4.373 -8.629 13.023 1.00 0.00 O ATOM 0 H SER A 75 -4.933 -7.063 10.952 1.00 0.00 H new ATOM 0 HA SER A 75 -3.462 -9.211 9.846 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.770 -9.567 12.134 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.863 -7.837 11.868 1.00 0.00 H new ATOM 0 HG SER A 75 -3.897 -8.319 13.821 1.00 0.00 H new ATOM 1039 N ARG A 76 -6.390 -9.934 11.057 1.00 0.00 N ATOM 1040 CA ARG A 76 -7.389 -10.983 11.194 1.00 0.00 C ATOM 1041 C ARG A 76 -8.303 -11.036 9.987 1.00 0.00 C ATOM 1042 O ARG A 76 -9.267 -11.805 9.966 1.00 0.00 O ATOM 1043 CB ARG A 76 -8.228 -10.752 12.434 1.00 0.00 C ATOM 1044 CG ARG A 76 -7.483 -10.954 13.727 1.00 0.00 C ATOM 1045 CD ARG A 76 -8.372 -10.642 14.902 1.00 0.00 C ATOM 1046 NE ARG A 76 -9.553 -11.515 14.951 1.00 0.00 N ATOM 1047 CZ ARG A 76 -10.433 -11.528 15.958 1.00 0.00 C ATOM 1048 NH1 ARG A 76 -10.245 -10.750 17.019 1.00 0.00 N ATOM 1049 NH2 ARG A 76 -11.494 -12.328 15.904 1.00 0.00 N ATOM 0 H ARG A 76 -6.743 -8.993 11.233 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.857 -11.931 11.276 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.622 -9.736 12.409 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.084 -11.426 12.411 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -7.130 -11.983 13.793 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.602 -10.313 13.750 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.803 -10.751 15.825 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.693 -9.602 14.847 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.711 -12.150 14.169 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -9.428 -10.141 17.067 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -10.918 -10.762 17.786 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -11.637 -12.932 15.094 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -12.165 -12.338 16.672 1.00 0.00 H new ATOM 1063 N LEU A 77 -8.008 -10.233 8.988 1.00 0.00 N ATOM 1064 CA LEU A 77 -8.848 -10.165 7.807 1.00 0.00 C ATOM 1065 C LEU A 77 -8.651 -11.408 6.943 1.00 0.00 C ATOM 1066 O LEU A 77 -7.538 -11.685 6.485 1.00 0.00 O ATOM 1067 CB LEU A 77 -8.536 -8.899 7.008 1.00 0.00 C ATOM 1068 CG LEU A 77 -9.640 -8.415 6.070 1.00 0.00 C ATOM 1069 CD1 LEU A 77 -10.877 -8.019 6.867 1.00 0.00 C ATOM 1070 CD2 LEU A 77 -9.148 -7.244 5.235 1.00 0.00 C ATOM 0 H LEU A 77 -7.195 -9.618 8.968 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.891 -10.127 8.121 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.304 -8.098 7.709 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.637 -9.077 6.418 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.908 -9.230 5.398 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.655 -7.676 6.185 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.240 -8.880 7.428 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -10.622 -7.217 7.559 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.946 -6.910 4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.856 -6.425 5.893 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.289 -7.556 4.641 1.00 0.00 H new ATOM 1171 N TYR A 86 -2.909 -9.224 -0.802 1.00 0.00 N ATOM 1172 CA TYR A 86 -2.857 -7.993 -0.046 1.00 0.00 C ATOM 1173 C TYR A 86 -1.769 -7.065 -0.575 1.00 0.00 C ATOM 1174 O TYR A 86 -1.103 -7.357 -1.570 1.00 0.00 O ATOM 1175 CB TYR A 86 -2.626 -8.278 1.442 1.00 0.00 C ATOM 1176 CG TYR A 86 -3.856 -8.755 2.174 1.00 0.00 C ATOM 1177 CD1 TYR A 86 -4.284 -10.072 2.076 1.00 0.00 C ATOM 1178 CD2 TYR A 86 -4.589 -7.885 2.970 1.00 0.00 C ATOM 1179 CE1 TYR A 86 -5.407 -10.507 2.748 1.00 0.00 C ATOM 1180 CE2 TYR A 86 -5.710 -8.310 3.645 1.00 0.00 C ATOM 1181 CZ TYR A 86 -6.116 -9.622 3.532 1.00 0.00 C ATOM 1182 OH TYR A 86 -7.239 -10.050 4.200 1.00 0.00 O ATOM 0 HA TYR A 86 -3.819 -7.495 -0.163 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -1.843 -9.030 1.540 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -2.259 -7.371 1.922 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.729 -10.767 1.464 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.274 -6.856 3.061 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.729 -11.534 2.661 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.268 -7.620 4.260 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.974 -10.598 4.968 1.00 0.00 H new ATOM 1192 N ALA A 87 -1.568 -5.966 0.121 1.00 0.00 N ATOM 1193 CA ALA A 87 -0.583 -4.967 -0.265 1.00 0.00 C ATOM 1194 C ALA A 87 0.841 -5.434 0.033 1.00 0.00 C ATOM 1195 O ALA A 87 1.750 -4.623 0.153 1.00 0.00 O ATOM 1196 CB ALA A 87 -0.869 -3.677 0.468 1.00 0.00 C ATOM 0 H ALA A 87 -2.081 -5.736 0.972 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.658 -4.809 -1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.133 -2.925 0.182 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.867 -3.325 0.209 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.813 -3.849 1.543 1.00 0.00 H new ATOM 1202 N GLN A 88 1.020 -6.735 0.136 1.00 0.00 N ATOM 1203 CA GLN A 88 2.311 -7.314 0.416 1.00 0.00 C ATOM 1204 C GLN A 88 3.078 -7.513 -0.874 1.00 0.00 C ATOM 1205 O GLN A 88 4.134 -6.930 -1.075 1.00 0.00 O ATOM 1206 CB GLN A 88 2.131 -8.644 1.129 1.00 0.00 C ATOM 1207 CG GLN A 88 1.459 -8.518 2.479 1.00 0.00 C ATOM 1208 CD GLN A 88 1.043 -9.852 3.046 1.00 0.00 C ATOM 1209 OE1 GLN A 88 1.666 -10.880 2.776 1.00 0.00 O ATOM 1210 NE2 GLN A 88 -0.009 -9.846 3.837 1.00 0.00 N ATOM 0 H GLN A 88 0.271 -7.419 0.027 1.00 0.00 H new ATOM 0 HA GLN A 88 2.876 -6.639 1.059 1.00 0.00 H new ATOM 0 HB2 GLN A 88 1.540 -9.308 0.498 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.107 -9.112 1.260 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.139 -8.028 3.175 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.582 -7.877 2.386 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.495 -8.971 4.033 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.339 -10.717 4.254 1.00 0.00 H new ATOM 1219 N ALA A 89 2.520 -8.309 -1.767 1.00 0.00 N ATOM 1220 CA ALA A 89 3.156 -8.561 -3.041 1.00 0.00 C ATOM 1221 C ALA A 89 3.153 -7.296 -3.881 1.00 0.00 C ATOM 1222 O ALA A 89 4.145 -6.954 -4.514 1.00 0.00 O ATOM 1223 CB ALA A 89 2.456 -9.698 -3.769 1.00 0.00 C ATOM 0 H ALA A 89 1.630 -8.790 -1.632 1.00 0.00 H new ATOM 0 HA ALA A 89 4.190 -8.859 -2.868 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.947 -9.874 -4.726 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.505 -10.603 -3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.413 -9.433 -3.940 1.00 0.00 H new ATOM 1229 N PHE A 90 2.035 -6.586 -3.851 1.00 0.00 N ATOM 1230 CA PHE A 90 1.880 -5.352 -4.611 1.00 0.00 C ATOM 1231 C PHE A 90 2.459 -4.151 -3.862 1.00 0.00 C ATOM 1232 O PHE A 90 2.187 -3.003 -4.217 1.00 0.00 O ATOM 1233 CB PHE A 90 0.401 -5.103 -4.931 1.00 0.00 C ATOM 1234 CG PHE A 90 -0.206 -6.133 -5.842 1.00 0.00 C ATOM 1235 CD1 PHE A 90 -0.083 -6.015 -7.217 1.00 0.00 C ATOM 1236 CD2 PHE A 90 -0.900 -7.217 -5.327 1.00 0.00 C ATOM 1237 CE1 PHE A 90 -0.639 -6.955 -8.060 1.00 0.00 C ATOM 1238 CE2 PHE A 90 -1.459 -8.161 -6.166 1.00 0.00 C ATOM 1239 CZ PHE A 90 -1.327 -8.031 -7.535 1.00 0.00 C ATOM 0 H PHE A 90 1.214 -6.845 -3.304 1.00 0.00 H new ATOM 0 HA PHE A 90 2.436 -5.469 -5.541 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.163 -5.079 -3.999 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.299 -4.120 -5.391 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.455 -5.177 -7.634 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.005 -7.325 -4.257 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.536 -6.849 -9.130 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -1.999 -9.000 -5.752 1.00 0.00 H new ATOM 0 HZ PHE A 90 -1.761 -8.769 -8.193 1.00 0.00 H new ATOM 1249 N SER A 91 3.270 -4.419 -2.847 1.00 0.00 N ATOM 1250 CA SER A 91 3.847 -3.367 -2.027 1.00 0.00 C ATOM 1251 C SER A 91 4.633 -2.357 -2.863 1.00 0.00 C ATOM 1252 O SER A 91 4.393 -1.164 -2.770 1.00 0.00 O ATOM 1253 CB SER A 91 4.733 -3.963 -0.926 1.00 0.00 C ATOM 1254 OG SER A 91 5.302 -2.952 -0.110 1.00 0.00 O ATOM 0 H SER A 91 3.543 -5.363 -2.572 1.00 0.00 H new ATOM 0 HA SER A 91 3.021 -2.830 -1.560 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.142 -4.640 -0.309 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.528 -4.556 -1.379 1.00 0.00 H new ATOM 0 HG SER A 91 6.269 -2.912 -0.265 1.00 0.00 H new ATOM 1260 N SER A 92 5.537 -2.840 -3.705 1.00 0.00 N ATOM 1261 CA SER A 92 6.386 -1.955 -4.504 1.00 0.00 C ATOM 1262 C SER A 92 5.571 -1.051 -5.426 1.00 0.00 C ATOM 1263 O SER A 92 5.991 0.068 -5.736 1.00 0.00 O ATOM 1264 CB SER A 92 7.386 -2.764 -5.328 1.00 0.00 C ATOM 1265 OG SER A 92 8.391 -1.923 -5.885 1.00 0.00 O ATOM 0 H SER A 92 5.704 -3.835 -3.855 1.00 0.00 H new ATOM 0 HA SER A 92 6.925 -1.318 -3.803 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.851 -3.523 -4.699 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.863 -3.289 -6.127 1.00 0.00 H new ATOM 0 HG SER A 92 9.259 -2.141 -5.484 1.00 0.00 H new ATOM 1271 N ALA A 93 4.423 -1.529 -5.858 1.00 0.00 N ATOM 1272 CA ALA A 93 3.588 -0.769 -6.765 1.00 0.00 C ATOM 1273 C ALA A 93 2.747 0.259 -6.017 1.00 0.00 C ATOM 1274 O ALA A 93 2.594 1.391 -6.466 1.00 0.00 O ATOM 1275 CB ALA A 93 2.696 -1.703 -7.571 1.00 0.00 C ATOM 0 H ALA A 93 4.047 -2.440 -5.596 1.00 0.00 H new ATOM 0 HA ALA A 93 4.242 -0.229 -7.450 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.074 -1.118 -8.248 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.315 -2.389 -8.149 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.059 -2.272 -6.894 1.00 0.00 H new ATOM 1281 N LEU A 94 2.223 -0.140 -4.868 1.00 0.00 N ATOM 1282 CA LEU A 94 1.343 0.717 -4.085 1.00 0.00 C ATOM 1283 C LEU A 94 2.127 1.687 -3.207 1.00 0.00 C ATOM 1284 O LEU A 94 1.645 2.770 -2.882 1.00 0.00 O ATOM 1285 CB LEU A 94 0.427 -0.135 -3.214 1.00 0.00 C ATOM 1286 CG LEU A 94 -0.306 -1.266 -3.925 1.00 0.00 C ATOM 1287 CD1 LEU A 94 -1.202 -2.005 -2.954 1.00 0.00 C ATOM 1288 CD2 LEU A 94 -1.099 -0.735 -5.106 1.00 0.00 C ATOM 0 H LEU A 94 2.393 -1.057 -4.455 1.00 0.00 H new ATOM 0 HA LEU A 94 0.749 1.304 -4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.021 -0.564 -2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.314 0.518 -2.752 1.00 0.00 H new ATOM 0 HG LEU A 94 0.432 -1.970 -4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.719 -2.810 -3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.599 -2.424 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.935 -1.314 -2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.614 -1.560 -5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.831 -0.008 -4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.422 -0.256 -5.813 1.00 0.00 H new ATOM 1300 N PHE A 95 3.313 1.280 -2.797 1.00 0.00 N ATOM 1301 CA PHE A 95 4.162 2.119 -1.964 1.00 0.00 C ATOM 1302 C PHE A 95 4.858 3.152 -2.831 1.00 0.00 C ATOM 1303 O PHE A 95 5.031 4.301 -2.429 1.00 0.00 O ATOM 1304 CB PHE A 95 5.191 1.251 -1.216 1.00 0.00 C ATOM 1305 CG PHE A 95 6.017 1.985 -0.195 1.00 0.00 C ATOM 1306 CD1 PHE A 95 5.463 2.366 1.018 1.00 0.00 C ATOM 1307 CD2 PHE A 95 7.348 2.282 -0.443 1.00 0.00 C ATOM 1308 CE1 PHE A 95 6.219 3.031 1.964 1.00 0.00 C ATOM 1309 CE2 PHE A 95 8.109 2.948 0.500 1.00 0.00 C ATOM 1310 CZ PHE A 95 7.543 3.324 1.705 1.00 0.00 C ATOM 0 H PHE A 95 3.714 0.371 -3.027 1.00 0.00 H new ATOM 0 HA PHE A 95 3.551 2.636 -1.224 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.664 0.437 -0.718 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.861 0.798 -1.946 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.428 2.140 1.226 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.795 1.990 -1.382 1.00 0.00 H new ATOM 0 HE1 PHE A 95 5.775 3.321 2.905 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.145 3.175 0.296 1.00 0.00 H new ATOM 0 HZ PHE A 95 8.136 3.846 2.442 1.00 0.00 H new ATOM 1320 N ASN A 96 5.226 2.716 -4.040 1.00 0.00 N ATOM 1321 CA ASN A 96 5.901 3.550 -5.035 1.00 0.00 C ATOM 1322 C ASN A 96 7.177 4.171 -4.471 1.00 0.00 C ATOM 1323 O ASN A 96 7.163 5.256 -3.894 1.00 0.00 O ATOM 1324 CB ASN A 96 4.966 4.629 -5.583 1.00 0.00 C ATOM 1325 CG ASN A 96 5.453 5.208 -6.895 1.00 0.00 C ATOM 1326 OD1 ASN A 96 6.227 6.159 -6.923 1.00 0.00 O ATOM 1327 ND2 ASN A 96 4.989 4.644 -7.997 1.00 0.00 N ATOM 0 H ASN A 96 5.060 1.761 -4.358 1.00 0.00 H new ATOM 0 HA ASN A 96 6.185 2.900 -5.863 1.00 0.00 H new ATOM 0 HB2 ASN A 96 3.971 4.206 -5.723 1.00 0.00 H new ATOM 0 HB3 ASN A 96 4.871 5.430 -4.849 1.00 0.00 H new ATOM 0 HD21 ASN A 96 5.274 4.999 -8.910 1.00 0.00 H new ATOM 0 HD22 ASN A 96 4.346 3.854 -7.934 1.00 0.00 H new ATOM 1334 N ALA A 97 8.277 3.460 -4.637 1.00 0.00 N ATOM 1335 CA ALA A 97 9.566 3.908 -4.129 1.00 0.00 C ATOM 1336 C ALA A 97 10.144 5.044 -4.978 1.00 0.00 C ATOM 1337 O ALA A 97 11.065 5.737 -4.556 1.00 0.00 O ATOM 1338 CB ALA A 97 10.533 2.740 -4.080 1.00 0.00 C ATOM 0 H ALA A 97 8.306 2.564 -5.123 1.00 0.00 H new ATOM 0 HA ALA A 97 9.416 4.296 -3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.496 3.081 -3.699 1.00 0.00 H new ATOM 0 HB2 ALA A 97 10.136 1.966 -3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.663 2.333 -5.083 1.00 0.00 H new ATOM 1344 N GLY A 98 9.605 5.214 -6.182 1.00 0.00 N ATOM 1345 CA GLY A 98 10.075 6.267 -7.076 1.00 0.00 C ATOM 1346 C GLY A 98 11.276 5.845 -7.898 1.00 0.00 C ATOM 1347 O GLY A 98 11.633 6.500 -8.872 1.00 0.00 O ATOM 0 H GLY A 98 8.849 4.642 -6.558 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.266 6.557 -7.746 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.334 7.148 -6.488 1.00 0.00 H new ATOM 1351 N VAL A 99 11.892 4.748 -7.507 1.00 0.00 N ATOM 1352 CA VAL A 99 13.045 4.214 -8.218 1.00 0.00 C ATOM 1353 C VAL A 99 12.581 3.174 -9.234 1.00 0.00 C ATOM 1354 O VAL A 99 13.373 2.566 -9.963 1.00 0.00 O ATOM 1355 CB VAL A 99 14.037 3.585 -7.226 1.00 0.00 C ATOM 1356 CG1 VAL A 99 13.490 2.292 -6.640 1.00 0.00 C ATOM 1357 CG2 VAL A 99 15.405 3.385 -7.855 1.00 0.00 C ATOM 0 H VAL A 99 11.613 4.201 -6.693 1.00 0.00 H new ATOM 0 HA VAL A 99 13.550 5.025 -8.742 1.00 0.00 H new ATOM 0 HB VAL A 99 14.164 4.286 -6.401 1.00 0.00 H new ATOM 0 HG11 VAL A 99 14.216 1.873 -5.943 1.00 0.00 H new ATOM 0 HG12 VAL A 99 12.558 2.497 -6.114 1.00 0.00 H new ATOM 0 HG13 VAL A 99 13.304 1.579 -7.443 1.00 0.00 H new ATOM 0 HG21 VAL A 99 16.080 2.939 -7.124 1.00 0.00 H new ATOM 0 HG22 VAL A 99 15.316 2.725 -8.718 1.00 0.00 H new ATOM 0 HG23 VAL A 99 15.803 4.348 -8.175 1.00 0.00 H new ATOM 1367 N LEU A 100 11.288 3.000 -9.279 1.00 0.00 N ATOM 1368 CA LEU A 100 10.664 2.067 -10.194 1.00 0.00 C ATOM 1369 C LEU A 100 10.470 2.718 -11.553 1.00 0.00 C ATOM 1370 O LEU A 100 10.723 3.912 -11.706 1.00 0.00 O ATOM 1371 CB LEU A 100 9.327 1.554 -9.622 1.00 0.00 C ATOM 1372 CG LEU A 100 8.415 2.584 -8.914 1.00 0.00 C ATOM 1373 CD1 LEU A 100 7.940 3.675 -9.865 1.00 0.00 C ATOM 1374 CD2 LEU A 100 7.228 1.876 -8.287 1.00 0.00 C ATOM 0 H LEU A 100 10.630 3.501 -8.682 1.00 0.00 H new ATOM 0 HA LEU A 100 11.320 1.206 -10.320 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.760 1.107 -10.439 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.548 0.756 -8.913 1.00 0.00 H new ATOM 0 HG LEU A 100 9.003 3.069 -8.135 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.303 4.376 -9.326 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.802 4.206 -10.270 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.375 3.225 -10.681 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.590 2.606 -7.790 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.658 1.364 -9.063 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.582 1.148 -7.557 1.00 0.00 H new ATOM 1386 N ASN A 101 10.026 1.949 -12.534 1.00 0.00 N ATOM 1387 CA ASN A 101 9.849 2.494 -13.866 1.00 0.00 C ATOM 1388 C ASN A 101 8.527 3.239 -13.954 1.00 0.00 C ATOM 1389 O ASN A 101 7.493 2.766 -13.459 1.00 0.00 O ATOM 1390 CB ASN A 101 9.966 1.406 -14.954 1.00 0.00 C ATOM 1391 CG ASN A 101 8.733 0.542 -15.085 1.00 0.00 C ATOM 1392 OD1 ASN A 101 7.835 0.848 -15.862 1.00 0.00 O ATOM 1393 ND2 ASN A 101 8.680 -0.543 -14.335 1.00 0.00 N ATOM 0 H ASN A 101 9.786 0.963 -12.435 1.00 0.00 H new ATOM 0 HA ASN A 101 10.655 3.203 -14.053 1.00 0.00 H new ATOM 0 HB2 ASN A 101 10.167 1.884 -15.913 1.00 0.00 H new ATOM 0 HB3 ASN A 101 10.822 0.770 -14.729 1.00 0.00 H new ATOM 0 HD21 ASN A 101 7.871 -1.162 -14.390 1.00 0.00 H new ATOM 0 HD22 ASN A 101 9.448 -0.763 -13.701 1.00 0.00 H new ATOM 1400 N ALA A 102 8.566 4.401 -14.566 1.00 0.00 N ATOM 1401 CA ALA A 102 7.403 5.265 -14.650 1.00 0.00 C ATOM 1402 C ALA A 102 6.396 4.777 -15.681 1.00 0.00 C ATOM 1403 O ALA A 102 5.210 5.070 -15.574 1.00 0.00 O ATOM 1404 CB ALA A 102 7.830 6.691 -14.960 1.00 0.00 C ATOM 0 H ALA A 102 9.400 4.776 -15.019 1.00 0.00 H new ATOM 0 HA ALA A 102 6.908 5.239 -13.679 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.949 7.330 -15.021 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.488 7.054 -14.170 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.360 6.713 -15.912 1.00 0.00 H new ATOM 1410 N SER A 103 6.855 3.998 -16.650 1.00 0.00 N ATOM 1411 CA SER A 103 5.994 3.547 -17.726 1.00 0.00 C ATOM 1412 C SER A 103 4.954 2.576 -17.208 1.00 0.00 C ATOM 1413 O SER A 103 3.844 2.512 -17.709 1.00 0.00 O ATOM 1414 CB SER A 103 6.823 2.925 -18.856 1.00 0.00 C ATOM 1415 OG SER A 103 7.764 1.980 -18.358 1.00 0.00 O ATOM 0 H SER A 103 7.818 3.667 -16.710 1.00 0.00 H new ATOM 0 HA SER A 103 5.469 4.411 -18.134 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.159 2.436 -19.569 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.349 3.712 -19.398 1.00 0.00 H new ATOM 0 HG SER A 103 7.532 1.743 -17.436 1.00 0.00 H new ATOM 1421 N ASN A 104 5.326 1.847 -16.184 1.00 0.00 N ATOM 1422 CA ASN A 104 4.451 0.891 -15.539 1.00 0.00 C ATOM 1423 C ASN A 104 3.208 1.595 -14.980 1.00 0.00 C ATOM 1424 O ASN A 104 2.072 1.245 -15.310 1.00 0.00 O ATOM 1425 CB ASN A 104 5.247 0.197 -14.428 1.00 0.00 C ATOM 1426 CG ASN A 104 4.426 -0.678 -13.500 1.00 0.00 C ATOM 1427 OD1 ASN A 104 3.417 -1.259 -13.885 1.00 0.00 O ATOM 1428 ND2 ASN A 104 4.881 -0.784 -12.262 1.00 0.00 N ATOM 0 H ASN A 104 6.256 1.900 -15.768 1.00 0.00 H new ATOM 0 HA ASN A 104 4.102 0.148 -16.256 1.00 0.00 H new ATOM 0 HB2 ASN A 104 6.024 -0.415 -14.887 1.00 0.00 H new ATOM 0 HB3 ASN A 104 5.751 0.959 -13.833 1.00 0.00 H new ATOM 0 HD21 ASN A 104 4.388 -1.367 -11.586 1.00 0.00 H new ATOM 0 HD22 ASN A 104 5.725 -0.283 -11.984 1.00 0.00 H new ATOM 1435 N ILE A 105 3.433 2.617 -14.178 1.00 0.00 N ATOM 1436 CA ILE A 105 2.340 3.362 -13.562 1.00 0.00 C ATOM 1437 C ILE A 105 1.644 4.272 -14.581 1.00 0.00 C ATOM 1438 O ILE A 105 0.418 4.402 -14.579 1.00 0.00 O ATOM 1439 CB ILE A 105 2.831 4.191 -12.317 1.00 0.00 C ATOM 1440 CG1 ILE A 105 3.105 3.273 -11.107 1.00 0.00 C ATOM 1441 CG2 ILE A 105 1.836 5.280 -11.929 1.00 0.00 C ATOM 1442 CD1 ILE A 105 4.283 2.338 -11.277 1.00 0.00 C ATOM 0 H ILE A 105 4.364 2.955 -13.934 1.00 0.00 H new ATOM 0 HA ILE A 105 1.613 2.632 -13.207 1.00 0.00 H new ATOM 0 HB ILE A 105 3.763 4.674 -12.610 1.00 0.00 H new ATOM 0 HG12 ILE A 105 3.276 3.894 -10.228 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.213 2.679 -10.909 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.214 5.828 -11.066 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.704 5.967 -12.765 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.878 4.825 -11.679 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.399 1.732 -10.378 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.110 1.687 -12.134 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.189 2.921 -11.442 1.00 0.00 H new ATOM 1454 N ASP A 106 2.423 4.861 -15.464 1.00 0.00 N ATOM 1455 CA ASP A 106 1.896 5.776 -16.479 1.00 0.00 C ATOM 1456 C ASP A 106 1.026 5.046 -17.508 1.00 0.00 C ATOM 1457 O ASP A 106 0.064 5.605 -18.026 1.00 0.00 O ATOM 1458 CB ASP A 106 3.053 6.486 -17.190 1.00 0.00 C ATOM 1459 CG ASP A 106 2.597 7.527 -18.189 1.00 0.00 C ATOM 1460 OD1 ASP A 106 2.428 8.693 -17.794 1.00 0.00 O ATOM 1461 OD2 ASP A 106 2.430 7.188 -19.377 1.00 0.00 O ATOM 0 H ASP A 106 3.433 4.727 -15.507 1.00 0.00 H new ATOM 0 HA ASP A 106 1.268 6.508 -15.971 1.00 0.00 H new ATOM 0 HB2 ASP A 106 3.690 6.963 -16.445 1.00 0.00 H new ATOM 0 HB3 ASP A 106 3.664 5.744 -17.703 1.00 0.00 H new ATOM 1466 N THR A 107 1.352 3.793 -17.778 1.00 0.00 N ATOM 1467 CA THR A 107 0.642 3.033 -18.802 1.00 0.00 C ATOM 1468 C THR A 107 -0.535 2.249 -18.238 1.00 0.00 C ATOM 1469 O THR A 107 -1.658 2.379 -18.714 1.00 0.00 O ATOM 1470 CB THR A 107 1.589 2.056 -19.530 1.00 0.00 C ATOM 1471 OG1 THR A 107 2.685 2.778 -20.101 1.00 0.00 O ATOM 1472 CG2 THR A 107 0.855 1.283 -20.621 1.00 0.00 C ATOM 0 H THR A 107 2.098 3.280 -17.308 1.00 0.00 H new ATOM 0 HA THR A 107 0.258 3.770 -19.507 1.00 0.00 H new ATOM 0 HB THR A 107 1.963 1.339 -18.800 1.00 0.00 H new ATOM 0 HG1 THR A 107 3.397 2.874 -19.434 1.00 0.00 H new ATOM 0 HG21 THR A 107 1.549 0.603 -21.115 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.041 0.710 -20.176 1.00 0.00 H new ATOM 0 HG23 THR A 107 0.449 1.982 -21.352 1.00 0.00 H new ATOM 1480 N LEU A 108 -0.285 1.443 -17.228 1.00 0.00 N ATOM 1481 CA LEU A 108 -1.325 0.584 -16.705 1.00 0.00 C ATOM 1482 C LEU A 108 -1.766 0.987 -15.303 1.00 0.00 C ATOM 1483 O LEU A 108 -2.938 0.888 -14.975 1.00 0.00 O ATOM 1484 CB LEU A 108 -0.871 -0.884 -16.763 1.00 0.00 C ATOM 1485 CG LEU A 108 0.395 -1.234 -15.972 1.00 0.00 C ATOM 1486 CD1 LEU A 108 0.057 -1.653 -14.547 1.00 0.00 C ATOM 1487 CD2 LEU A 108 1.185 -2.317 -16.681 1.00 0.00 C ATOM 0 H LEU A 108 0.617 1.365 -16.758 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.205 0.701 -17.337 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.686 -1.509 -16.399 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.707 -1.151 -17.807 1.00 0.00 H new ATOM 0 HG LEU A 108 1.014 -0.339 -15.916 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.975 -1.895 -14.011 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.455 -0.836 -14.039 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.591 -2.529 -14.569 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.080 -2.551 -16.104 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.570 -3.212 -16.777 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.474 -1.967 -17.672 1.00 0.00 H new ATOM 1499 N GLY A 109 -0.831 1.462 -14.490 1.00 0.00 N ATOM 1500 CA GLY A 109 -1.153 1.845 -13.118 1.00 0.00 C ATOM 1501 C GLY A 109 -2.302 2.834 -13.029 1.00 0.00 C ATOM 1502 O GLY A 109 -3.278 2.602 -12.318 1.00 0.00 O ATOM 0 H GLY A 109 0.147 1.591 -14.751 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.406 0.951 -12.548 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -0.269 2.281 -12.652 1.00 0.00 H new ATOM 1506 N SER A 110 -2.193 3.923 -13.766 1.00 0.00 N ATOM 1507 CA SER A 110 -3.211 4.966 -13.759 1.00 0.00 C ATOM 1508 C SER A 110 -4.536 4.465 -14.352 1.00 0.00 C ATOM 1509 O SER A 110 -5.600 4.983 -14.034 1.00 0.00 O ATOM 1510 CB SER A 110 -2.700 6.196 -14.532 1.00 0.00 C ATOM 1511 OG SER A 110 -3.624 7.270 -14.478 1.00 0.00 O ATOM 0 H SER A 110 -1.404 4.113 -14.384 1.00 0.00 H new ATOM 0 HA SER A 110 -3.405 5.248 -12.724 1.00 0.00 H new ATOM 0 HB2 SER A 110 -1.745 6.516 -14.116 1.00 0.00 H new ATOM 0 HB3 SER A 110 -2.519 5.923 -15.572 1.00 0.00 H new ATOM 0 HG SER A 110 -3.267 8.034 -14.977 1.00 0.00 H new ATOM 1517 N ARG A 111 -4.459 3.445 -15.189 1.00 0.00 N ATOM 1518 CA ARG A 111 -5.644 2.907 -15.853 1.00 0.00 C ATOM 1519 C ARG A 111 -6.335 1.846 -14.991 1.00 0.00 C ATOM 1520 O ARG A 111 -7.564 1.795 -14.915 1.00 0.00 O ATOM 1521 CB ARG A 111 -5.276 2.312 -17.223 1.00 0.00 C ATOM 1522 CG ARG A 111 -4.999 3.340 -18.334 1.00 0.00 C ATOM 1523 CD ARG A 111 -3.874 4.306 -17.971 1.00 0.00 C ATOM 1524 NE ARG A 111 -3.372 5.036 -19.138 1.00 0.00 N ATOM 1525 CZ ARG A 111 -3.052 6.335 -19.148 1.00 0.00 C ATOM 1526 NH1 ARG A 111 -3.286 7.099 -18.087 1.00 0.00 N ATOM 1527 NH2 ARG A 111 -2.523 6.874 -20.236 1.00 0.00 N ATOM 0 H ARG A 111 -3.589 2.969 -15.428 1.00 0.00 H new ATOM 0 HA ARG A 111 -6.340 3.733 -16.000 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -4.393 1.685 -17.103 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -6.088 1.661 -17.548 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.740 2.815 -19.254 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -5.908 3.906 -18.535 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -4.234 5.017 -17.227 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -3.056 3.752 -17.512 1.00 0.00 H new ATOM 0 HE ARG A 111 -3.258 4.515 -20.007 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -3.714 6.697 -17.253 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -3.038 8.088 -18.106 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -2.361 6.299 -21.063 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -2.278 7.864 -20.247 1.00 0.00 H new ATOM 1541 N VAL A 112 -5.548 1.005 -14.356 1.00 0.00 N ATOM 1542 CA VAL A 112 -6.076 -0.070 -13.529 1.00 0.00 C ATOM 1543 C VAL A 112 -6.426 0.427 -12.125 1.00 0.00 C ATOM 1544 O VAL A 112 -7.561 0.296 -11.675 1.00 0.00 O ATOM 1545 CB VAL A 112 -5.064 -1.241 -13.428 1.00 0.00 C ATOM 1546 CG1 VAL A 112 -5.630 -2.377 -12.587 1.00 0.00 C ATOM 1547 CG2 VAL A 112 -4.684 -1.741 -14.818 1.00 0.00 C ATOM 0 H VAL A 112 -4.529 1.042 -14.395 1.00 0.00 H new ATOM 0 HA VAL A 112 -6.987 -0.427 -14.009 1.00 0.00 H new ATOM 0 HB VAL A 112 -4.165 -0.871 -12.936 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -4.902 -3.186 -12.531 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -5.846 -2.013 -11.582 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -6.548 -2.746 -13.045 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.973 -2.562 -14.727 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -5.577 -2.090 -15.336 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -4.229 -0.929 -15.385 1.00 0.00 H new ATOM 1557 N LEU A 113 -5.449 1.018 -11.453 1.00 0.00 N ATOM 1558 CA LEU A 113 -5.630 1.492 -10.085 1.00 0.00 C ATOM 1559 C LEU A 113 -6.511 2.743 -10.062 1.00 0.00 C ATOM 1560 O LEU A 113 -7.379 2.886 -9.200 1.00 0.00 O ATOM 1561 CB LEU A 113 -4.267 1.784 -9.455 1.00 0.00 C ATOM 1562 CG LEU A 113 -3.210 0.691 -9.635 1.00 0.00 C ATOM 1563 CD1 LEU A 113 -1.838 1.195 -9.224 1.00 0.00 C ATOM 1564 CD2 LEU A 113 -3.576 -0.536 -8.836 1.00 0.00 C ATOM 0 H LEU A 113 -4.517 1.182 -11.834 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.129 0.716 -9.505 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.881 2.711 -9.879 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.409 1.956 -8.388 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.176 0.423 -10.691 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.103 0.402 -9.360 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.566 2.052 -9.840 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -1.859 1.494 -8.176 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.814 -1.302 -8.976 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -3.640 -0.276 -7.779 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.539 -0.917 -9.175 1.00 0.00 H new ATOM 1576 N SER A 114 -6.258 3.643 -11.014 1.00 0.00 N ATOM 1577 CA SER A 114 -7.035 4.879 -11.200 1.00 0.00 C ATOM 1578 C SER A 114 -7.235 5.696 -9.902 1.00 0.00 C ATOM 1579 O SER A 114 -6.363 6.481 -9.505 1.00 0.00 O ATOM 1580 CB SER A 114 -8.383 4.560 -11.855 1.00 0.00 C ATOM 1581 OG SER A 114 -8.202 3.927 -13.110 1.00 0.00 O ATOM 0 H SER A 114 -5.500 3.537 -11.688 1.00 0.00 H new ATOM 0 HA SER A 114 -6.445 5.516 -11.859 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.966 3.914 -11.199 1.00 0.00 H new ATOM 0 HB3 SER A 114 -8.954 5.479 -11.987 1.00 0.00 H new ATOM 0 HG SER A 114 -7.361 4.231 -13.511 1.00 0.00 H new ATOM 1587 N ALA A 115 -8.372 5.478 -9.235 1.00 0.00 N ATOM 1588 CA ALA A 115 -8.744 6.239 -8.042 1.00 0.00 C ATOM 1589 C ALA A 115 -7.817 5.962 -6.867 1.00 0.00 C ATOM 1590 O ALA A 115 -7.755 6.741 -5.917 1.00 0.00 O ATOM 1591 CB ALA A 115 -10.184 5.957 -7.660 1.00 0.00 C ATOM 0 H ALA A 115 -9.057 4.772 -9.506 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.641 7.295 -8.290 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.444 6.531 -6.771 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.841 6.243 -8.481 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.304 4.894 -7.453 1.00 0.00 H new ATOM 1597 N LEU A 116 -7.108 4.865 -6.928 1.00 0.00 N ATOM 1598 CA LEU A 116 -6.189 4.515 -5.878 1.00 0.00 C ATOM 1599 C LEU A 116 -4.948 5.392 -5.934 1.00 0.00 C ATOM 1600 O LEU A 116 -4.417 5.795 -4.903 1.00 0.00 O ATOM 1601 CB LEU A 116 -5.793 3.046 -5.987 1.00 0.00 C ATOM 1602 CG LEU A 116 -4.714 2.581 -5.013 1.00 0.00 C ATOM 1603 CD1 LEU A 116 -5.200 2.680 -3.577 1.00 0.00 C ATOM 1604 CD2 LEU A 116 -4.276 1.169 -5.341 1.00 0.00 C ATOM 0 H LEU A 116 -7.150 4.197 -7.697 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.687 4.678 -4.922 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.683 2.436 -5.834 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -5.447 2.856 -7.003 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.851 3.239 -5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.413 2.343 -2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.454 3.715 -3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -6.082 2.053 -3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -3.506 0.854 -4.636 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.131 0.497 -5.269 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.875 1.139 -6.354 1.00 0.00 H new ATOM 1616 N LEU A 117 -4.513 5.713 -7.140 1.00 0.00 N ATOM 1617 CA LEU A 117 -3.289 6.470 -7.320 1.00 0.00 C ATOM 1618 C LEU A 117 -3.393 7.890 -6.831 1.00 0.00 C ATOM 1619 O LEU A 117 -2.492 8.365 -6.180 1.00 0.00 O ATOM 1620 CB LEU A 117 -2.827 6.446 -8.755 1.00 0.00 C ATOM 1621 CG LEU A 117 -2.218 5.138 -9.217 1.00 0.00 C ATOM 1622 CD1 LEU A 117 -1.735 5.284 -10.635 1.00 0.00 C ATOM 1623 CD2 LEU A 117 -1.068 4.726 -8.302 1.00 0.00 C ATOM 0 H LEU A 117 -4.989 5.461 -8.007 1.00 0.00 H new ATOM 0 HA LEU A 117 -2.543 5.971 -6.701 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -3.677 6.679 -9.397 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.093 7.240 -8.897 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.978 4.358 -9.174 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -1.297 4.344 -10.969 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -2.574 5.542 -11.281 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -0.984 6.072 -10.684 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -0.645 3.784 -8.651 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.298 5.497 -8.316 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.439 4.602 -7.285 1.00 0.00 H new ATOM 1635 N ASN A 118 -4.493 8.566 -7.128 1.00 0.00 N ATOM 1636 CA ASN A 118 -4.645 9.959 -6.694 1.00 0.00 C ATOM 1637 C ASN A 118 -4.646 10.062 -5.169 1.00 0.00 C ATOM 1638 O ASN A 118 -4.319 11.106 -4.605 1.00 0.00 O ATOM 1639 CB ASN A 118 -5.909 10.606 -7.275 1.00 0.00 C ATOM 1640 CG ASN A 118 -7.184 9.970 -6.794 1.00 0.00 C ATOM 1641 OD1 ASN A 118 -7.684 10.280 -5.710 1.00 0.00 O ATOM 1642 ND2 ASN A 118 -7.738 9.101 -7.604 1.00 0.00 N ATOM 0 H ASN A 118 -5.281 8.189 -7.655 1.00 0.00 H new ATOM 0 HA ASN A 118 -3.786 10.508 -7.079 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -5.919 11.664 -7.013 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -5.871 10.547 -8.363 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -8.617 8.652 -7.347 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -7.290 8.874 -8.492 1.00 0.00 H new ATOM 1649 N GLY A 119 -5.014 8.974 -4.510 1.00 0.00 N ATOM 1650 CA GLY A 119 -4.992 8.947 -3.070 1.00 0.00 C ATOM 1651 C GLY A 119 -3.630 8.545 -2.541 1.00 0.00 C ATOM 1652 O GLY A 119 -3.228 8.954 -1.455 1.00 0.00 O ATOM 0 H GLY A 119 -5.327 8.110 -4.951 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -5.258 9.931 -2.683 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -5.745 8.248 -2.707 1.00 0.00 H new ATOM 1656 N VAL A 120 -2.923 7.730 -3.310 1.00 0.00 N ATOM 1657 CA VAL A 120 -1.600 7.256 -2.915 1.00 0.00 C ATOM 1658 C VAL A 120 -0.485 8.258 -3.288 1.00 0.00 C ATOM 1659 O VAL A 120 0.498 8.401 -2.555 1.00 0.00 O ATOM 1660 CB VAL A 120 -1.285 5.867 -3.542 1.00 0.00 C ATOM 1661 CG1 VAL A 120 0.183 5.502 -3.367 1.00 0.00 C ATOM 1662 CG2 VAL A 120 -2.167 4.797 -2.920 1.00 0.00 C ATOM 0 H VAL A 120 -3.242 7.381 -4.214 1.00 0.00 H new ATOM 0 HA VAL A 120 -1.621 7.160 -1.829 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.494 5.926 -4.610 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.371 4.527 -3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 120 0.805 6.252 -3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.425 5.466 -2.305 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -1.937 3.830 -3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -1.983 4.753 -1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -3.214 5.039 -3.099 1.00 0.00 H new ATOM 1672 N SER A 121 -0.653 8.945 -4.416 1.00 0.00 N ATOM 1673 CA SER A 121 0.342 9.897 -4.921 1.00 0.00 C ATOM 1674 C SER A 121 0.714 10.928 -3.870 1.00 0.00 C ATOM 1675 O SER A 121 1.888 11.180 -3.616 1.00 0.00 O ATOM 1676 CB SER A 121 -0.194 10.601 -6.169 1.00 0.00 C ATOM 1677 OG SER A 121 -1.498 11.112 -5.941 1.00 0.00 O ATOM 0 H SER A 121 -1.480 8.860 -5.007 1.00 0.00 H new ATOM 0 HA SER A 121 1.241 9.335 -5.174 1.00 0.00 H new ATOM 0 HB2 SER A 121 0.476 11.414 -6.449 1.00 0.00 H new ATOM 0 HB3 SER A 121 -0.214 9.902 -7.005 1.00 0.00 H new ATOM 0 HG SER A 121 -2.137 10.370 -5.896 1.00 0.00 H new ATOM 1683 N SER A 122 -0.289 11.514 -3.272 1.00 0.00 N ATOM 1684 CA SER A 122 -0.095 12.513 -2.255 1.00 0.00 C ATOM 1685 C SER A 122 0.318 11.863 -0.925 1.00 0.00 C ATOM 1686 O SER A 122 1.038 12.457 -0.126 1.00 0.00 O ATOM 1687 CB SER A 122 -1.394 13.314 -2.093 1.00 0.00 C ATOM 1688 OG SER A 122 -1.254 14.377 -1.162 1.00 0.00 O ATOM 0 H SER A 122 -1.267 11.311 -3.477 1.00 0.00 H new ATOM 0 HA SER A 122 0.710 13.185 -2.553 1.00 0.00 H new ATOM 0 HB2 SER A 122 -1.694 13.717 -3.060 1.00 0.00 H new ATOM 0 HB3 SER A 122 -2.192 12.648 -1.764 1.00 0.00 H new ATOM 0 HG SER A 122 -2.102 14.862 -1.090 1.00 0.00 H new ATOM 1694 N ALA A 123 -0.122 10.631 -0.720 1.00 0.00 N ATOM 1695 CA ALA A 123 0.128 9.923 0.524 1.00 0.00 C ATOM 1696 C ALA A 123 1.496 9.215 0.561 1.00 0.00 C ATOM 1697 O ALA A 123 2.481 9.769 1.050 1.00 0.00 O ATOM 1698 CB ALA A 123 -0.990 8.934 0.790 1.00 0.00 C ATOM 0 H ALA A 123 -0.658 10.098 -1.405 1.00 0.00 H new ATOM 0 HA ALA A 123 0.154 10.674 1.314 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -0.795 8.407 1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -1.938 9.468 0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -1.042 8.215 -0.028 1.00 0.00 H new ATOM 1704 N ALA A 124 1.546 7.994 0.026 1.00 0.00 N ATOM 1705 CA ALA A 124 2.752 7.162 0.083 1.00 0.00 C ATOM 1706 C ALA A 124 3.860 7.706 -0.794 1.00 0.00 C ATOM 1707 O ALA A 124 5.022 7.719 -0.400 1.00 0.00 O ATOM 1708 CB ALA A 124 2.427 5.730 -0.312 1.00 0.00 C ATOM 0 H ALA A 124 0.760 7.556 -0.455 1.00 0.00 H new ATOM 0 HA ALA A 124 3.109 7.180 1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 124 3.333 5.125 -0.265 1.00 0.00 H new ATOM 0 HB2 ALA A 124 1.683 5.324 0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.032 5.713 -1.328 1.00 0.00 H new ATOM 1714 N GLN A 125 3.497 8.157 -1.975 1.00 0.00 N ATOM 1715 CA GLN A 125 4.465 8.695 -2.906 1.00 0.00 C ATOM 1716 C GLN A 125 4.878 10.110 -2.482 1.00 0.00 C ATOM 1717 O GLN A 125 5.944 10.603 -2.856 1.00 0.00 O ATOM 1718 CB GLN A 125 3.874 8.705 -4.321 1.00 0.00 C ATOM 1719 CG GLN A 125 4.835 9.188 -5.393 1.00 0.00 C ATOM 1720 CD GLN A 125 4.184 9.295 -6.755 1.00 0.00 C ATOM 1721 OE1 GLN A 125 3.595 10.317 -7.092 1.00 0.00 O ATOM 1722 NE2 GLN A 125 4.310 8.258 -7.553 1.00 0.00 N ATOM 0 H GLN A 125 2.535 8.162 -2.314 1.00 0.00 H new ATOM 0 HA GLN A 125 5.354 8.064 -2.903 1.00 0.00 H new ATOM 0 HB2 GLN A 125 3.544 7.697 -4.572 1.00 0.00 H new ATOM 0 HB3 GLN A 125 2.989 9.341 -4.329 1.00 0.00 H new ATOM 0 HG2 GLN A 125 5.232 10.162 -5.107 1.00 0.00 H new ATOM 0 HG3 GLN A 125 5.681 8.503 -5.452 1.00 0.00 H new ATOM 0 HE21 GLN A 125 4.808 7.427 -7.234 1.00 0.00 H new ATOM 0 HE22 GLN A 125 3.910 8.285 -8.491 1.00 0.00 H new ATOM 1731 N GLY A 126 4.024 10.747 -1.697 1.00 0.00 N ATOM 1732 CA GLY A 126 4.289 12.090 -1.242 1.00 0.00 C ATOM 1733 C GLY A 126 5.127 12.143 0.016 1.00 0.00 C ATOM 1734 O GLY A 126 6.340 12.345 -0.044 1.00 0.00 O ATOM 0 H GLY A 126 3.144 10.351 -1.365 1.00 0.00 H new ATOM 0 HA2 GLY A 126 4.799 12.640 -2.033 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.342 12.598 -1.061 1.00 0.00 H new ATOM 1738 N LEU A 127 4.484 11.951 1.153 1.00 0.00 N ATOM 1739 CA LEU A 127 5.154 12.053 2.439 1.00 0.00 C ATOM 1740 C LEU A 127 5.682 10.707 2.882 1.00 0.00 C ATOM 1741 O LEU A 127 6.629 10.625 3.667 1.00 0.00 O ATOM 1742 CB LEU A 127 4.191 12.593 3.516 1.00 0.00 C ATOM 1743 CG LEU A 127 3.716 14.052 3.371 1.00 0.00 C ATOM 1744 CD1 LEU A 127 4.893 15.001 3.242 1.00 0.00 C ATOM 1745 CD2 LEU A 127 2.749 14.219 2.202 1.00 0.00 C ATOM 0 H LEU A 127 3.492 11.722 1.213 1.00 0.00 H new ATOM 0 HA LEU A 127 5.988 12.744 2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 127 3.310 11.951 3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 127 4.678 12.492 4.486 1.00 0.00 H new ATOM 0 HG LEU A 127 3.174 14.307 4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 127 4.527 16.023 3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 127 5.520 14.926 4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 127 5.479 14.737 2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 127 2.437 15.261 2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 127 3.244 13.927 1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 127 1.874 13.589 2.361 1.00 0.00 H new ATOM 1757 N GLY A 128 5.082 9.656 2.372 1.00 0.00 N ATOM 1758 CA GLY A 128 5.453 8.337 2.792 1.00 0.00 C ATOM 1759 C GLY A 128 4.740 7.976 4.067 1.00 0.00 C ATOM 1760 O GLY A 128 5.242 8.219 5.164 1.00 0.00 O ATOM 0 H GLY A 128 4.341 9.694 1.672 1.00 0.00 H new ATOM 0 HA2 GLY A 128 5.206 7.617 2.012 1.00 0.00 H new ATOM 0 HA3 GLY A 128 6.531 8.286 2.943 1.00 0.00 H new ATOM 1764 N ILE A 129 3.556 7.422 3.915 1.00 0.00 N ATOM 1765 CA ILE A 129 2.689 7.084 5.035 1.00 0.00 C ATOM 1766 C ILE A 129 3.353 6.124 6.021 1.00 0.00 C ATOM 1767 O ILE A 129 4.011 5.156 5.627 1.00 0.00 O ATOM 1768 CB ILE A 129 1.368 6.477 4.526 1.00 0.00 C ATOM 1769 CG1 ILE A 129 0.637 7.468 3.624 1.00 0.00 C ATOM 1770 CG2 ILE A 129 0.476 6.053 5.676 1.00 0.00 C ATOM 1771 CD1 ILE A 129 0.327 8.800 4.288 1.00 0.00 C ATOM 0 H ILE A 129 3.160 7.190 3.004 1.00 0.00 H new ATOM 0 HA ILE A 129 2.486 8.013 5.569 1.00 0.00 H new ATOM 0 HB ILE A 129 1.612 5.587 3.946 1.00 0.00 H new ATOM 0 HG12 ILE A 129 1.242 7.649 2.736 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -0.296 7.016 3.287 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -0.448 5.629 5.283 1.00 0.00 H new ATOM 0 HG22 ILE A 129 0.991 5.305 6.279 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.243 6.920 6.294 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -0.192 9.447 3.581 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -0.306 8.633 5.160 1.00 0.00 H new ATOM 0 HD13 ILE A 129 1.257 9.276 4.600 1.00 0.00 H new ATOM 1783 N ASN A 130 3.173 6.410 7.299 1.00 0.00 N ATOM 1784 CA ASN A 130 3.721 5.590 8.362 1.00 0.00 C ATOM 1785 C ASN A 130 2.611 4.811 9.048 1.00 0.00 C ATOM 1786 O ASN A 130 1.452 5.234 9.047 1.00 0.00 O ATOM 1787 CB ASN A 130 4.456 6.461 9.405 1.00 0.00 C ATOM 1788 CG ASN A 130 3.508 7.237 10.324 1.00 0.00 C ATOM 1789 OD1 ASN A 130 3.113 6.749 11.384 1.00 0.00 O ATOM 1790 ND2 ASN A 130 3.153 8.446 9.932 1.00 0.00 N ATOM 0 H ASN A 130 2.643 7.217 7.627 1.00 0.00 H new ATOM 0 HA ASN A 130 4.434 4.895 7.919 1.00 0.00 H new ATOM 0 HB2 ASN A 130 5.098 5.823 10.012 1.00 0.00 H new ATOM 0 HB3 ASN A 130 5.106 7.166 8.886 1.00 0.00 H new ATOM 0 HD21 ASN A 130 2.532 9.009 10.513 1.00 0.00 H new ATOM 0 HD22 ASN A 130 3.500 8.818 9.048 1.00 0.00 H new ATOM 1797 N VAL A 131 2.957 3.670 9.598 1.00 0.00 N ATOM 1798 CA VAL A 131 2.017 2.875 10.359 1.00 0.00 C ATOM 1799 C VAL A 131 2.502 2.776 11.810 1.00 0.00 C ATOM 1800 O VAL A 131 3.671 3.054 12.094 1.00 0.00 O ATOM 1801 CB VAL A 131 1.833 1.452 9.761 1.00 0.00 C ATOM 1802 CG1 VAL A 131 0.603 0.768 10.345 1.00 0.00 C ATOM 1803 CG2 VAL A 131 1.736 1.510 8.248 1.00 0.00 C ATOM 0 H VAL A 131 3.892 3.267 9.532 1.00 0.00 H new ATOM 0 HA VAL A 131 1.046 3.369 10.318 1.00 0.00 H new ATOM 0 HB VAL A 131 2.711 0.863 10.028 1.00 0.00 H new ATOM 0 HG11 VAL A 131 0.498 -0.226 9.909 1.00 0.00 H new ATOM 0 HG12 VAL A 131 0.714 0.681 11.426 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.284 1.359 10.118 1.00 0.00 H new ATOM 0 HG21 VAL A 131 1.608 0.502 7.853 1.00 0.00 H new ATOM 0 HG22 VAL A 131 0.882 2.124 7.961 1.00 0.00 H new ATOM 0 HG23 VAL A 131 2.649 1.946 7.841 1.00 0.00 H new ATOM 1813 N ASP A 132 1.613 2.381 12.712 1.00 0.00 N ATOM 1814 CA ASP A 132 1.934 2.288 14.136 1.00 0.00 C ATOM 1815 C ASP A 132 3.085 1.304 14.406 1.00 0.00 C ATOM 1816 O ASP A 132 3.298 0.338 13.655 1.00 0.00 O ATOM 1817 CB ASP A 132 0.691 1.896 14.935 1.00 0.00 C ATOM 1818 CG ASP A 132 0.953 1.833 16.418 1.00 0.00 C ATOM 1819 OD1 ASP A 132 0.883 2.890 17.090 1.00 0.00 O ATOM 1820 OD2 ASP A 132 1.246 0.737 16.920 1.00 0.00 O ATOM 0 H ASP A 132 0.655 2.117 12.483 1.00 0.00 H new ATOM 0 HA ASP A 132 2.270 3.272 14.462 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -0.104 2.616 14.740 1.00 0.00 H new ATOM 0 HB3 ASP A 132 0.333 0.925 14.591 1.00 0.00 H new ATOM 1825 N SER A 133 3.812 1.558 15.485 1.00 0.00 N ATOM 1826 CA SER A 133 4.981 0.779 15.848 1.00 0.00 C ATOM 1827 C SER A 133 4.641 -0.608 16.403 1.00 0.00 C ATOM 1828 O SER A 133 5.538 -1.447 16.541 1.00 0.00 O ATOM 1829 CB SER A 133 5.814 1.551 16.861 1.00 0.00 C ATOM 1830 OG SER A 133 6.151 2.837 16.365 1.00 0.00 O ATOM 0 H SER A 133 3.604 2.316 16.135 1.00 0.00 H new ATOM 0 HA SER A 133 5.547 0.615 14.931 1.00 0.00 H new ATOM 0 HB2 SER A 133 5.259 1.651 17.794 1.00 0.00 H new ATOM 0 HB3 SER A 133 6.723 0.995 17.089 1.00 0.00 H new ATOM 0 HG SER A 133 6.685 3.316 17.033 1.00 0.00 H new ATOM 1836 N GLY A 134 3.358 -0.846 16.710 1.00 0.00 N ATOM 1837 CA GLY A 134 2.926 -2.118 17.280 1.00 0.00 C ATOM 1838 C GLY A 134 3.509 -3.321 16.569 1.00 0.00 C ATOM 1839 O GLY A 134 4.411 -3.979 17.091 1.00 0.00 O ATOM 0 H GLY A 134 2.606 -0.171 16.571 1.00 0.00 H new ATOM 0 HA2 GLY A 134 3.211 -2.153 18.332 1.00 0.00 H new ATOM 0 HA3 GLY A 134 1.838 -2.174 17.243 1.00 0.00 H new ATOM 1843 N SER A 135 3.003 -3.615 15.392 1.00 0.00 N ATOM 1844 CA SER A 135 3.513 -4.733 14.633 1.00 0.00 C ATOM 1845 C SER A 135 4.353 -4.263 13.451 1.00 0.00 C ATOM 1846 O SER A 135 5.525 -4.588 13.361 1.00 0.00 O ATOM 1847 CB SER A 135 2.369 -5.636 14.151 1.00 0.00 C ATOM 1848 OG SER A 135 2.866 -6.824 13.536 1.00 0.00 O ATOM 0 H SER A 135 2.245 -3.100 14.943 1.00 0.00 H new ATOM 0 HA SER A 135 4.156 -5.313 15.295 1.00 0.00 H new ATOM 0 HB2 SER A 135 1.732 -5.901 14.995 1.00 0.00 H new ATOM 0 HB3 SER A 135 1.747 -5.090 13.441 1.00 0.00 H new ATOM 0 HG SER A 135 3.846 -6.820 13.560 1.00 0.00 H new ATOM 1854 N VAL A 136 3.751 -3.446 12.580 1.00 0.00 N ATOM 1855 CA VAL A 136 4.379 -3.029 11.326 1.00 0.00 C ATOM 1856 C VAL A 136 5.809 -2.528 11.505 1.00 0.00 C ATOM 1857 O VAL A 136 6.735 -3.112 10.953 1.00 0.00 O ATOM 1858 CB VAL A 136 3.538 -1.962 10.594 1.00 0.00 C ATOM 1859 CG1 VAL A 136 4.195 -1.565 9.278 1.00 0.00 C ATOM 1860 CG2 VAL A 136 2.132 -2.485 10.348 1.00 0.00 C ATOM 0 H VAL A 136 2.819 -3.058 12.725 1.00 0.00 H new ATOM 0 HA VAL A 136 4.424 -3.929 10.713 1.00 0.00 H new ATOM 0 HB VAL A 136 3.479 -1.075 11.225 1.00 0.00 H new ATOM 0 HG11 VAL A 136 3.585 -0.812 8.779 1.00 0.00 H new ATOM 0 HG12 VAL A 136 5.186 -1.157 9.475 1.00 0.00 H new ATOM 0 HG13 VAL A 136 4.285 -2.442 8.637 1.00 0.00 H new ATOM 0 HG21 VAL A 136 1.546 -1.725 9.831 1.00 0.00 H new ATOM 0 HG22 VAL A 136 2.181 -3.385 9.735 1.00 0.00 H new ATOM 0 HG23 VAL A 136 1.659 -2.721 11.302 1.00 0.00 H new ATOM 1870 N GLN A 137 5.992 -1.469 12.289 1.00 0.00 N ATOM 1871 CA GLN A 137 7.317 -0.889 12.472 1.00 0.00 C ATOM 1872 C GLN A 137 8.303 -1.910 13.024 1.00 0.00 C ATOM 1873 O GLN A 137 9.396 -2.069 12.497 1.00 0.00 O ATOM 1874 CB GLN A 137 7.262 0.306 13.397 1.00 0.00 C ATOM 1875 CG GLN A 137 8.487 1.190 13.299 1.00 0.00 C ATOM 1876 CD GLN A 137 8.585 1.905 11.965 1.00 0.00 C ATOM 1877 OE1 GLN A 137 9.680 2.183 11.477 1.00 0.00 O ATOM 1878 NE2 GLN A 137 7.444 2.217 11.372 1.00 0.00 N ATOM 0 H GLN A 137 5.247 -0.999 12.803 1.00 0.00 H new ATOM 0 HA GLN A 137 7.662 -0.567 11.489 1.00 0.00 H new ATOM 0 HB2 GLN A 137 6.376 0.897 13.165 1.00 0.00 H new ATOM 0 HB3 GLN A 137 7.154 -0.042 14.424 1.00 0.00 H new ATOM 0 HG2 GLN A 137 8.464 1.927 14.101 1.00 0.00 H new ATOM 0 HG3 GLN A 137 9.381 0.584 13.449 1.00 0.00 H new ATOM 0 HE21 GLN A 137 6.557 1.968 11.810 1.00 0.00 H new ATOM 0 HE22 GLN A 137 7.451 2.706 10.477 1.00 0.00 H new ATOM 1887 N SER A 138 7.902 -2.602 14.073 1.00 0.00 N ATOM 1888 CA SER A 138 8.756 -3.590 14.708 1.00 0.00 C ATOM 1889 C SER A 138 9.118 -4.724 13.739 1.00 0.00 C ATOM 1890 O SER A 138 10.273 -5.163 13.684 1.00 0.00 O ATOM 1891 CB SER A 138 8.074 -4.133 15.961 1.00 0.00 C ATOM 1892 OG SER A 138 7.796 -3.078 16.877 1.00 0.00 O ATOM 0 H SER A 138 6.985 -2.498 14.506 1.00 0.00 H new ATOM 0 HA SER A 138 9.689 -3.106 14.997 1.00 0.00 H new ATOM 0 HB2 SER A 138 7.148 -4.638 15.688 1.00 0.00 H new ATOM 0 HB3 SER A 138 8.714 -4.876 16.437 1.00 0.00 H new ATOM 0 HG SER A 138 6.975 -2.616 16.605 1.00 0.00 H new ATOM 1898 N ASP A 139 8.139 -5.175 12.966 1.00 0.00 N ATOM 1899 CA ASP A 139 8.351 -6.241 11.995 1.00 0.00 C ATOM 1900 C ASP A 139 9.264 -5.794 10.865 1.00 0.00 C ATOM 1901 O ASP A 139 10.241 -6.475 10.537 1.00 0.00 O ATOM 1902 CB ASP A 139 7.016 -6.741 11.422 1.00 0.00 C ATOM 1903 CG ASP A 139 6.329 -7.763 12.313 1.00 0.00 C ATOM 1904 OD1 ASP A 139 6.606 -8.966 12.159 1.00 0.00 O ATOM 1905 OD2 ASP A 139 5.512 -7.372 13.178 1.00 0.00 O ATOM 0 H ASP A 139 7.184 -4.817 12.993 1.00 0.00 H new ATOM 0 HA ASP A 139 8.836 -7.062 12.523 1.00 0.00 H new ATOM 0 HB2 ASP A 139 6.350 -5.891 11.274 1.00 0.00 H new ATOM 0 HB3 ASP A 139 7.191 -7.183 10.441 1.00 0.00 H new ATOM 1910 N ILE A 140 8.964 -4.641 10.276 1.00 0.00 N ATOM 1911 CA ILE A 140 9.752 -4.145 9.158 1.00 0.00 C ATOM 1912 C ILE A 140 11.154 -3.734 9.590 1.00 0.00 C ATOM 1913 O ILE A 140 12.109 -3.940 8.854 1.00 0.00 O ATOM 1914 CB ILE A 140 9.072 -2.962 8.414 1.00 0.00 C ATOM 1915 CG1 ILE A 140 8.958 -1.732 9.323 1.00 0.00 C ATOM 1916 CG2 ILE A 140 7.702 -3.381 7.896 1.00 0.00 C ATOM 1917 CD1 ILE A 140 8.439 -0.497 8.625 1.00 0.00 C ATOM 0 H ILE A 140 8.188 -4.039 10.552 1.00 0.00 H new ATOM 0 HA ILE A 140 9.823 -4.982 8.463 1.00 0.00 H new ATOM 0 HB ILE A 140 9.696 -2.689 7.563 1.00 0.00 H new ATOM 0 HG12 ILE A 140 8.298 -1.970 10.157 1.00 0.00 H new ATOM 0 HG13 ILE A 140 9.939 -1.513 9.745 1.00 0.00 H new ATOM 0 HG21 ILE A 140 7.237 -2.543 7.377 1.00 0.00 H new ATOM 0 HG22 ILE A 140 7.814 -4.218 7.206 1.00 0.00 H new ATOM 0 HG23 ILE A 140 7.073 -3.683 8.734 1.00 0.00 H new ATOM 0 HD11 ILE A 140 8.388 0.328 9.335 1.00 0.00 H new ATOM 0 HD12 ILE A 140 9.110 -0.231 7.808 1.00 0.00 H new ATOM 0 HD13 ILE A 140 7.444 -0.695 8.227 1.00 0.00 H new ATOM 1929 N SER A 141 11.279 -3.174 10.791 1.00 0.00 N ATOM 1930 CA SER A 141 12.570 -2.732 11.281 1.00 0.00 C ATOM 1931 C SER A 141 13.527 -3.914 11.426 1.00 0.00 C ATOM 1932 O SER A 141 14.648 -3.882 10.913 1.00 0.00 O ATOM 1933 CB SER A 141 12.432 -1.989 12.613 1.00 0.00 C ATOM 1934 OG SER A 141 13.664 -1.395 12.993 1.00 0.00 O ATOM 0 H SER A 141 10.503 -3.019 11.435 1.00 0.00 H new ATOM 0 HA SER A 141 12.984 -2.039 10.549 1.00 0.00 H new ATOM 0 HB2 SER A 141 11.664 -1.220 12.527 1.00 0.00 H new ATOM 0 HB3 SER A 141 12.104 -2.682 13.388 1.00 0.00 H new ATOM 0 HG SER A 141 13.551 -0.925 13.845 1.00 0.00 H new ATOM 1940 N SER A 142 13.067 -4.969 12.098 1.00 0.00 N ATOM 1941 CA SER A 142 13.876 -6.162 12.303 1.00 0.00 C ATOM 1942 C SER A 142 14.277 -6.762 10.954 1.00 0.00 C ATOM 1943 O SER A 142 15.440 -7.130 10.735 1.00 0.00 O ATOM 1944 CB SER A 142 13.096 -7.191 13.137 1.00 0.00 C ATOM 1945 OG SER A 142 13.901 -8.306 13.473 1.00 0.00 O ATOM 0 H SER A 142 12.135 -5.018 12.509 1.00 0.00 H new ATOM 0 HA SER A 142 14.781 -5.888 12.845 1.00 0.00 H new ATOM 0 HB2 SER A 142 12.729 -6.719 14.048 1.00 0.00 H new ATOM 0 HB3 SER A 142 12.223 -7.527 12.578 1.00 0.00 H new ATOM 0 HG SER A 142 13.376 -8.940 14.004 1.00 0.00 H new ATOM 1951 N SER A 143 13.317 -6.825 10.044 1.00 0.00 N ATOM 1952 CA SER A 143 13.550 -7.357 8.720 1.00 0.00 C ATOM 1953 C SER A 143 14.541 -6.485 7.943 1.00 0.00 C ATOM 1954 O SER A 143 15.426 -6.994 7.276 1.00 0.00 O ATOM 1955 CB SER A 143 12.228 -7.467 7.962 1.00 0.00 C ATOM 1956 OG SER A 143 12.414 -7.984 6.656 1.00 0.00 O ATOM 0 H SER A 143 12.361 -6.509 10.206 1.00 0.00 H new ATOM 0 HA SER A 143 13.986 -8.351 8.821 1.00 0.00 H new ATOM 0 HB2 SER A 143 11.544 -8.112 8.515 1.00 0.00 H new ATOM 0 HB3 SER A 143 11.761 -6.484 7.901 1.00 0.00 H new ATOM 0 HG SER A 143 11.786 -8.721 6.504 1.00 0.00 H new ATOM 1962 N SER A 144 14.393 -5.178 8.058 1.00 0.00 N ATOM 1963 CA SER A 144 15.253 -4.243 7.352 1.00 0.00 C ATOM 1964 C SER A 144 16.674 -4.263 7.927 1.00 0.00 C ATOM 1965 O SER A 144 17.640 -3.914 7.243 1.00 0.00 O ATOM 1966 CB SER A 144 14.655 -2.828 7.418 1.00 0.00 C ATOM 1967 OG SER A 144 15.424 -1.899 6.674 1.00 0.00 O ATOM 0 H SER A 144 13.680 -4.736 8.638 1.00 0.00 H new ATOM 0 HA SER A 144 15.315 -4.548 6.307 1.00 0.00 H new ATOM 0 HB2 SER A 144 13.635 -2.846 7.035 1.00 0.00 H new ATOM 0 HB3 SER A 144 14.599 -2.505 8.457 1.00 0.00 H new ATOM 0 HG SER A 144 15.014 -1.011 6.737 1.00 0.00 H new