USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 582 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 85 GLN : amide:sc= -0.331 K(o=0.41,f=-0.91) USER MOD Set 1.2: A 89 GLN : amide:sc= 0.738 K(o=0.41,f=-9.7!) USER MOD Set 2.1: A 66 LYS NZ :NH3+ -179:sc= -0.121 (180deg=0) USER MOD Set 2.2: B 197 GLN : amide:sc= -4.08! C(o=-4.2!,f=-3.5!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.688 K(o=-0.69,f=-1.8) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0849) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 168 SER OG : rot -9:sc= 0.645 USER MOD Single : B 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 174 GLN : amide:sc= -0.307 K(o=-0.31,f=-2!) USER MOD Single : B 175 ASN : amide:sc= -0.0593 K(o=-0.059,f=-1.9!) USER MOD Single : B 176 MET CE :methyl -159:sc= -7.82! (180deg=-9.72!) USER MOD Single : B 184 THR OG1 : rot 180:sc= -0.518 USER MOD Single : B 185 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 188 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.28) USER MOD Single : B 189 GLN : amide:sc= -0.322 X(o=-0.32,f=0) USER MOD Single : B 191 SER OG : rot 180:sc= 0 USER MOD Single : B 192 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 195 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 196 LYS NZ :NH3+ 157:sc= -1.28 (180deg=-2.62!) USER MOD Single : B 198 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.16) USER MOD Single : B 199 GLN : amide:sc= -0.173 X(o=-0.17,f=0) USER MOD ----------------------------------------------------------------- ATOM 161 N LEU A 62 0.269 -18.188 2.453 1.00 0.00 N ATOM 162 CA LEU A 62 -0.177 -17.147 1.478 1.00 0.00 C ATOM 163 C LEU A 62 -1.486 -16.513 1.951 1.00 0.00 C ATOM 164 O LEU A 62 -1.767 -15.363 1.667 1.00 0.00 O ATOM 165 CB LEU A 62 -0.388 -17.892 0.159 1.00 0.00 C ATOM 166 CG LEU A 62 -0.096 -16.952 -1.010 1.00 0.00 C ATOM 167 CD1 LEU A 62 1.367 -17.099 -1.430 1.00 0.00 C ATOM 168 CD2 LEU A 62 -1.002 -17.310 -2.191 1.00 0.00 C ATOM 0 HA LEU A 62 0.551 -16.342 1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.267 -18.762 0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.412 -18.260 0.097 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.285 -15.923 -0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.575 -16.429 -2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.014 -16.845 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.556 -18.128 -1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.794 -16.640 -3.025 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.812 -18.339 -2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.045 -17.206 -1.894 1.00 0.00 H new ATOM 180 N GLU A 63 -2.286 -17.255 2.674 1.00 0.00 N ATOM 181 CA GLU A 63 -3.580 -16.701 3.175 1.00 0.00 C ATOM 182 C GLU A 63 -3.317 -15.698 4.298 1.00 0.00 C ATOM 183 O GLU A 63 -4.015 -14.709 4.435 1.00 0.00 O ATOM 184 CB GLU A 63 -4.361 -17.908 3.701 1.00 0.00 C ATOM 185 CG GLU A 63 -4.806 -18.778 2.524 1.00 0.00 C ATOM 186 CD GLU A 63 -5.532 -20.016 3.051 1.00 0.00 C ATOM 187 OE1 GLU A 63 -4.864 -21.000 3.322 1.00 0.00 O ATOM 188 OE2 GLU A 63 -6.745 -19.960 3.173 1.00 0.00 O ATOM 0 H GLU A 63 -2.098 -18.222 2.939 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.133 -16.174 2.397 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.739 -18.489 4.382 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.229 -17.574 4.269 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.464 -18.210 1.866 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.941 -19.075 1.930 1.00 0.00 H new ATOM 195 N GLU A 64 -2.311 -15.943 5.094 1.00 0.00 N ATOM 196 CA GLU A 64 -1.986 -15.002 6.208 1.00 0.00 C ATOM 197 C GLU A 64 -1.284 -13.767 5.646 1.00 0.00 C ATOM 198 O GLU A 64 -1.454 -12.666 6.136 1.00 0.00 O ATOM 199 CB GLU A 64 -1.051 -15.782 7.135 1.00 0.00 C ATOM 200 CG GLU A 64 -1.293 -15.355 8.584 1.00 0.00 C ATOM 201 CD GLU A 64 -0.345 -16.123 9.507 1.00 0.00 C ATOM 202 OE1 GLU A 64 -0.282 -17.335 9.384 1.00 0.00 O ATOM 203 OE2 GLU A 64 0.302 -15.485 10.322 1.00 0.00 O ATOM 0 H GLU A 64 -1.698 -16.755 5.022 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.874 -14.657 6.737 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.225 -16.853 7.027 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.013 -15.598 6.859 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.131 -14.282 8.690 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.328 -15.551 8.864 1.00 0.00 H new ATOM 210 N THR A 65 -0.507 -13.946 4.610 1.00 0.00 N ATOM 211 CA THR A 65 0.204 -12.788 3.992 1.00 0.00 C ATOM 212 C THR A 65 -0.795 -11.941 3.200 1.00 0.00 C ATOM 213 O THR A 65 -0.649 -10.739 3.085 1.00 0.00 O ATOM 214 CB THR A 65 1.249 -13.407 3.059 1.00 0.00 C ATOM 215 OG1 THR A 65 2.108 -14.252 3.811 1.00 0.00 O ATOM 216 CG2 THR A 65 2.071 -12.299 2.398 1.00 0.00 C ATOM 0 H THR A 65 -0.334 -14.847 4.164 1.00 0.00 H new ATOM 0 HA THR A 65 0.668 -12.137 4.733 1.00 0.00 H new ATOM 0 HB THR A 65 0.747 -13.990 2.287 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.777 -14.651 3.216 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.813 -12.743 1.735 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.411 -11.651 1.821 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.575 -11.712 3.166 1.00 0.00 H new ATOM 224 N LYS A 66 -1.811 -12.565 2.661 1.00 0.00 N ATOM 225 CA LYS A 66 -2.833 -11.805 1.879 1.00 0.00 C ATOM 226 C LYS A 66 -3.659 -10.922 2.817 1.00 0.00 C ATOM 227 O LYS A 66 -4.169 -9.889 2.420 1.00 0.00 O ATOM 228 CB LYS A 66 -3.721 -12.871 1.229 1.00 0.00 C ATOM 229 CG LYS A 66 -3.298 -13.076 -0.228 1.00 0.00 C ATOM 230 CD LYS A 66 -3.749 -11.876 -1.064 1.00 0.00 C ATOM 231 CE LYS A 66 -4.057 -12.335 -2.491 1.00 0.00 C ATOM 232 NZ LYS A 66 -2.778 -12.159 -3.234 1.00 0.00 N ATOM 0 H LYS A 66 -1.977 -13.569 2.729 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.378 -11.150 1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.639 -13.810 1.777 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.766 -12.565 1.275 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.216 -13.191 -0.291 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.739 -13.992 -0.620 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.633 -11.421 -0.618 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.970 -11.114 -1.076 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.385 -13.374 -2.510 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.856 -11.740 -2.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.912 -12.437 -4.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.485 -11.162 -3.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.042 -12.755 -2.804 1.00 0.00 H new ATOM 246 N GLU A 67 -3.795 -11.319 4.058 1.00 0.00 N ATOM 247 CA GLU A 67 -4.589 -10.503 5.027 1.00 0.00 C ATOM 248 C GLU A 67 -3.849 -9.207 5.354 1.00 0.00 C ATOM 249 O GLU A 67 -4.453 -8.159 5.500 1.00 0.00 O ATOM 250 CB GLU A 67 -4.724 -11.376 6.278 1.00 0.00 C ATOM 251 CG GLU A 67 -5.634 -10.679 7.290 1.00 0.00 C ATOM 252 CD GLU A 67 -5.703 -11.511 8.573 1.00 0.00 C ATOM 253 OE1 GLU A 67 -4.660 -11.736 9.165 1.00 0.00 O ATOM 254 OE2 GLU A 67 -6.795 -11.909 8.939 1.00 0.00 O ATOM 0 H GLU A 67 -3.390 -12.173 4.442 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.563 -10.222 4.625 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.136 -12.350 6.012 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.743 -11.554 6.718 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.253 -9.682 7.511 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.632 -10.554 6.871 1.00 0.00 H new ATOM 261 N GLN A 68 -2.548 -9.268 5.461 1.00 0.00 N ATOM 262 CA GLN A 68 -1.760 -8.038 5.771 1.00 0.00 C ATOM 263 C GLN A 68 -1.719 -7.132 4.543 1.00 0.00 C ATOM 264 O GLN A 68 -1.846 -5.927 4.643 1.00 0.00 O ATOM 265 CB GLN A 68 -0.356 -8.533 6.127 1.00 0.00 C ATOM 266 CG GLN A 68 0.263 -7.605 7.174 1.00 0.00 C ATOM 267 CD GLN A 68 0.503 -6.226 6.557 1.00 0.00 C ATOM 268 OE1 GLN A 68 1.405 -6.052 5.761 1.00 0.00 O ATOM 269 NE2 GLN A 68 -0.273 -5.231 6.891 1.00 0.00 N ATOM 0 H GLN A 68 -1.996 -10.118 5.347 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.195 -7.459 6.586 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.405 -9.552 6.512 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.269 -8.559 5.234 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.399 -7.519 8.036 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.203 -8.022 7.535 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -1.030 -5.377 7.559 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.122 -4.308 6.484 1.00 0.00 H new ATOM 278 N ILE A 69 -1.554 -7.712 3.384 1.00 0.00 N ATOM 279 CA ILE A 69 -1.517 -6.898 2.133 1.00 0.00 C ATOM 280 C ILE A 69 -2.906 -6.305 1.869 1.00 0.00 C ATOM 281 O ILE A 69 -3.037 -5.264 1.251 1.00 0.00 O ATOM 282 CB ILE A 69 -1.113 -7.875 1.023 1.00 0.00 C ATOM 283 CG1 ILE A 69 0.274 -8.441 1.333 1.00 0.00 C ATOM 284 CG2 ILE A 69 -1.069 -7.144 -0.321 1.00 0.00 C ATOM 285 CD1 ILE A 69 0.608 -9.555 0.341 1.00 0.00 C ATOM 0 H ILE A 69 -1.443 -8.717 3.249 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.818 -6.064 2.194 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.842 -8.683 0.970 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.022 -7.650 1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.300 -8.828 2.352 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.781 -7.843 -1.106 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.054 -6.733 -0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.341 -6.335 -0.271 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.597 -9.956 0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.133 -10.350 0.423 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.599 -9.154 -0.673 1.00 0.00 H new ATOM 297 N LEU A 70 -3.942 -6.955 2.342 1.00 0.00 N ATOM 298 CA LEU A 70 -5.322 -6.425 2.131 1.00 0.00 C ATOM 299 C LEU A 70 -5.497 -5.122 2.912 1.00 0.00 C ATOM 300 O LEU A 70 -6.119 -4.186 2.444 1.00 0.00 O ATOM 301 CB LEU A 70 -6.262 -7.506 2.671 1.00 0.00 C ATOM 302 CG LEU A 70 -6.741 -8.389 1.518 1.00 0.00 C ATOM 303 CD1 LEU A 70 -7.499 -9.595 2.078 1.00 0.00 C ATOM 304 CD2 LEU A 70 -7.671 -7.581 0.610 1.00 0.00 C ATOM 0 H LEU A 70 -3.890 -7.829 2.865 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.526 -6.207 1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.747 -8.111 3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.115 -7.045 3.169 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.881 -8.735 0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.840 -10.224 1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.838 -10.171 2.726 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.359 -9.250 2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.013 -8.210 -0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.530 -7.236 1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.133 -6.722 0.210 1.00 0.00 H new ATOM 316 N LYS A 71 -4.942 -5.052 4.097 1.00 0.00 N ATOM 317 CA LYS A 71 -5.061 -3.804 4.910 1.00 0.00 C ATOM 318 C LYS A 71 -4.181 -2.711 4.304 1.00 0.00 C ATOM 319 O LYS A 71 -4.491 -1.537 4.379 1.00 0.00 O ATOM 320 CB LYS A 71 -4.565 -4.182 6.307 1.00 0.00 C ATOM 321 CG LYS A 71 -4.735 -2.990 7.252 1.00 0.00 C ATOM 322 CD LYS A 71 -6.226 -2.721 7.477 1.00 0.00 C ATOM 323 CE LYS A 71 -6.705 -1.631 6.513 1.00 0.00 C ATOM 324 NZ LYS A 71 -7.572 -0.741 7.334 1.00 0.00 N ATOM 0 H LYS A 71 -4.412 -5.805 4.535 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.081 -3.422 4.939 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.124 -5.039 6.683 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.517 -4.478 6.264 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.244 -3.195 8.204 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.256 -2.107 6.830 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.798 -3.635 7.320 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.398 -2.410 8.507 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.864 -1.081 6.090 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.259 -2.059 5.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.938 0.031 6.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.368 -1.289 7.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.017 -0.342 8.118 1.00 0.00 H new ATOM 338 N LEU A 72 -3.088 -3.096 3.695 1.00 0.00 N ATOM 339 CA LEU A 72 -2.180 -2.089 3.067 1.00 0.00 C ATOM 340 C LEU A 72 -2.835 -1.517 1.809 1.00 0.00 C ATOM 341 O LEU A 72 -2.668 -0.355 1.487 1.00 0.00 O ATOM 342 CB LEU A 72 -0.909 -2.863 2.708 1.00 0.00 C ATOM 343 CG LEU A 72 0.126 -2.698 3.824 1.00 0.00 C ATOM 344 CD1 LEU A 72 1.345 -3.571 3.522 1.00 0.00 C ATOM 345 CD2 LEU A 72 0.558 -1.231 3.912 1.00 0.00 C ATOM 0 H LEU A 72 -2.785 -4.066 3.606 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.966 -1.251 3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.142 -3.919 2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.503 -2.498 1.765 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.314 -3.003 4.773 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.082 -3.454 4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.039 -4.615 3.462 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.784 -3.267 2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.295 -1.116 4.707 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.997 -0.923 2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.310 -0.608 4.129 1.00 0.00 H new ATOM 357 N GLU A 73 -3.585 -2.324 1.101 1.00 0.00 N ATOM 358 CA GLU A 73 -4.262 -1.830 -0.136 1.00 0.00 C ATOM 359 C GLU A 73 -5.343 -0.815 0.237 1.00 0.00 C ATOM 360 O GLU A 73 -5.628 0.104 -0.509 1.00 0.00 O ATOM 361 CB GLU A 73 -4.885 -3.070 -0.782 1.00 0.00 C ATOM 362 CG GLU A 73 -5.054 -2.834 -2.284 1.00 0.00 C ATOM 363 CD GLU A 73 -6.457 -2.292 -2.562 1.00 0.00 C ATOM 364 OE1 GLU A 73 -7.410 -2.928 -2.142 1.00 0.00 O ATOM 365 OE2 GLU A 73 -6.556 -1.251 -3.191 1.00 0.00 O ATOM 0 H GLU A 73 -3.757 -3.304 1.327 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.571 -1.331 -0.816 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.252 -3.940 -0.609 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -5.852 -3.284 -0.326 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.303 -2.128 -2.638 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.898 -3.765 -2.829 1.00 0.00 H new ATOM 372 N GLU A 74 -5.937 -0.972 1.391 1.00 0.00 N ATOM 373 CA GLU A 74 -6.996 -0.015 1.829 1.00 0.00 C ATOM 374 C GLU A 74 -6.349 1.289 2.300 1.00 0.00 C ATOM 375 O GLU A 74 -6.924 2.355 2.184 1.00 0.00 O ATOM 376 CB GLU A 74 -7.714 -0.710 2.989 1.00 0.00 C ATOM 377 CG GLU A 74 -9.038 -1.300 2.497 1.00 0.00 C ATOM 378 CD GLU A 74 -9.369 -2.556 3.304 1.00 0.00 C ATOM 379 OE1 GLU A 74 -9.545 -2.435 4.506 1.00 0.00 O ATOM 380 OE2 GLU A 74 -9.442 -3.617 2.707 1.00 0.00 O ATOM 0 H GLU A 74 -5.734 -1.723 2.050 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.687 0.238 1.025 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.083 -1.499 3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.899 0.002 3.794 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.837 -0.566 2.603 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.968 -1.544 1.437 1.00 0.00 H new ATOM 387 N LYS A 75 -5.153 1.206 2.825 1.00 0.00 N ATOM 388 CA LYS A 75 -4.451 2.435 3.302 1.00 0.00 C ATOM 389 C LYS A 75 -3.989 3.268 2.105 1.00 0.00 C ATOM 390 O LYS A 75 -3.890 4.478 2.182 1.00 0.00 O ATOM 391 CB LYS A 75 -3.248 1.930 4.100 1.00 0.00 C ATOM 392 CG LYS A 75 -2.787 3.017 5.071 1.00 0.00 C ATOM 393 CD LYS A 75 -2.212 2.367 6.332 1.00 0.00 C ATOM 394 CE LYS A 75 -3.355 1.981 7.273 1.00 0.00 C ATOM 395 NZ LYS A 75 -2.823 0.845 8.076 1.00 0.00 N ATOM 0 H LYS A 75 -4.631 0.338 2.944 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.097 3.070 3.908 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.515 1.027 4.649 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.436 1.663 3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.033 3.646 4.598 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.624 3.664 5.332 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.631 1.484 6.066 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.532 3.057 6.832 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.640 2.817 7.912 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.244 1.688 6.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.550 0.523 8.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.566 0.062 7.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.981 1.156 8.601 1.00 0.00 H new ATOM 409 N LEU A 76 -3.711 2.627 0.996 1.00 0.00 N ATOM 410 CA LEU A 76 -3.258 3.378 -0.214 1.00 0.00 C ATOM 411 C LEU A 76 -4.425 4.177 -0.796 1.00 0.00 C ATOM 412 O LEU A 76 -4.251 5.273 -1.295 1.00 0.00 O ATOM 413 CB LEU A 76 -2.789 2.310 -1.203 1.00 0.00 C ATOM 414 CG LEU A 76 -2.230 2.983 -2.457 1.00 0.00 C ATOM 415 CD1 LEU A 76 -0.890 3.644 -2.129 1.00 0.00 C ATOM 416 CD2 LEU A 76 -2.023 1.932 -3.550 1.00 0.00 C ATOM 0 H LEU A 76 -3.779 1.616 0.877 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.463 4.088 0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.025 1.684 -0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.619 1.656 -1.468 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.933 3.739 -2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.492 4.123 -3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.035 4.392 -1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.187 2.888 -1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.625 2.411 -4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.320 1.176 -3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.977 1.459 -3.786 1.00 0.00 H new ATOM 428 N LEU A 77 -5.612 3.634 -0.728 1.00 0.00 N ATOM 429 CA LEU A 77 -6.803 4.357 -1.267 1.00 0.00 C ATOM 430 C LEU A 77 -7.200 5.480 -0.309 1.00 0.00 C ATOM 431 O LEU A 77 -7.674 6.522 -0.721 1.00 0.00 O ATOM 432 CB LEU A 77 -7.910 3.305 -1.354 1.00 0.00 C ATOM 433 CG LEU A 77 -7.565 2.290 -2.445 1.00 0.00 C ATOM 434 CD1 LEU A 77 -8.527 1.103 -2.362 1.00 0.00 C ATOM 435 CD2 LEU A 77 -7.693 2.953 -3.818 1.00 0.00 C ATOM 0 H LEU A 77 -5.809 2.719 -0.322 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.609 4.813 -2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.022 2.800 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.864 3.783 -1.576 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.543 1.940 -2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.281 0.380 -3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.437 0.629 -1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.550 1.453 -2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.447 2.230 -4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.715 3.304 -3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.008 3.798 -3.879 1.00 0.00 H new ATOM 447 N ALA A 78 -6.996 5.274 0.967 1.00 0.00 N ATOM 448 CA ALA A 78 -7.346 6.328 1.965 1.00 0.00 C ATOM 449 C ALA A 78 -6.322 7.463 1.895 1.00 0.00 C ATOM 450 O ALA A 78 -6.634 8.610 2.156 1.00 0.00 O ATOM 451 CB ALA A 78 -7.287 5.633 3.326 1.00 0.00 C ATOM 0 H ALA A 78 -6.601 4.420 1.361 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.328 6.764 1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.534 6.348 4.111 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.003 4.811 3.346 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.283 5.244 3.493 1.00 0.00 H new ATOM 457 N LEU A 79 -5.104 7.147 1.535 1.00 0.00 N ATOM 458 CA LEU A 79 -4.051 8.201 1.436 1.00 0.00 C ATOM 459 C LEU A 79 -4.319 9.085 0.215 1.00 0.00 C ATOM 460 O LEU A 79 -4.160 10.290 0.265 1.00 0.00 O ATOM 461 CB LEU A 79 -2.723 7.442 1.277 1.00 0.00 C ATOM 462 CG LEU A 79 -1.859 7.600 2.539 1.00 0.00 C ATOM 463 CD1 LEU A 79 -1.521 9.078 2.760 1.00 0.00 C ATOM 464 CD2 LEU A 79 -2.614 7.057 3.759 1.00 0.00 C ATOM 0 H LEU A 79 -4.794 6.203 1.305 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.034 8.852 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.920 6.386 1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.183 7.820 0.409 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.935 7.037 2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.909 9.181 3.656 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.971 9.458 1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.442 9.648 2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.996 7.172 4.650 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.544 7.611 3.888 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.839 6.001 3.607 1.00 0.00 H new ATOM 476 N GLN A 80 -4.737 8.493 -0.877 1.00 0.00 N ATOM 477 CA GLN A 80 -5.030 9.298 -2.100 1.00 0.00 C ATOM 478 C GLN A 80 -6.311 10.102 -1.885 1.00 0.00 C ATOM 479 O GLN A 80 -6.459 11.199 -2.392 1.00 0.00 O ATOM 480 CB GLN A 80 -5.215 8.276 -3.224 1.00 0.00 C ATOM 481 CG GLN A 80 -3.871 7.616 -3.541 1.00 0.00 C ATOM 482 CD GLN A 80 -3.804 7.286 -5.032 1.00 0.00 C ATOM 483 OE1 GLN A 80 -3.936 6.142 -5.420 1.00 0.00 O ATOM 484 NE2 GLN A 80 -3.602 8.246 -5.893 1.00 0.00 N ATOM 0 H GLN A 80 -4.887 7.489 -0.973 1.00 0.00 H new ATOM 0 HA GLN A 80 -4.236 10.006 -2.335 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.942 7.520 -2.927 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -5.610 8.766 -4.114 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -3.053 8.283 -3.268 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -3.752 6.707 -2.951 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.491 9.207 -5.569 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -3.555 8.035 -6.890 1.00 0.00 H new ATOM 493 N GLU A 81 -7.229 9.565 -1.126 1.00 0.00 N ATOM 494 CA GLU A 81 -8.504 10.294 -0.855 1.00 0.00 C ATOM 495 C GLU A 81 -8.217 11.523 0.009 1.00 0.00 C ATOM 496 O GLU A 81 -8.902 12.524 -0.074 1.00 0.00 O ATOM 497 CB GLU A 81 -9.389 9.300 -0.100 1.00 0.00 C ATOM 498 CG GLU A 81 -9.903 8.235 -1.071 1.00 0.00 C ATOM 499 CD GLU A 81 -10.354 7.002 -0.285 1.00 0.00 C ATOM 500 OE1 GLU A 81 -10.927 7.177 0.777 1.00 0.00 O ATOM 501 OE2 GLU A 81 -10.115 5.904 -0.760 1.00 0.00 O ATOM 0 H GLU A 81 -7.151 8.651 -0.681 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.986 10.642 -1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.823 8.831 0.705 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.227 9.821 0.362 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.734 8.631 -1.655 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.118 7.962 -1.777 1.00 0.00 H new ATOM 508 N GLU A 82 -7.200 11.451 0.833 1.00 0.00 N ATOM 509 CA GLU A 82 -6.853 12.614 1.703 1.00 0.00 C ATOM 510 C GLU A 82 -6.461 13.809 0.834 1.00 0.00 C ATOM 511 O GLU A 82 -6.870 14.929 1.086 1.00 0.00 O ATOM 512 CB GLU A 82 -5.665 12.148 2.550 1.00 0.00 C ATOM 513 CG GLU A 82 -6.145 11.781 3.956 1.00 0.00 C ATOM 514 CD GLU A 82 -4.959 11.296 4.791 1.00 0.00 C ATOM 515 OE1 GLU A 82 -3.899 11.889 4.678 1.00 0.00 O ATOM 516 OE2 GLU A 82 -5.130 10.339 5.529 1.00 0.00 O ATOM 0 H GLU A 82 -6.596 10.636 0.939 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.689 12.929 2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.188 11.287 2.082 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.915 12.937 2.606 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.608 12.646 4.431 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.906 11.003 3.900 1.00 0.00 H new ATOM 523 N LYS A 83 -5.681 13.579 -0.193 1.00 0.00 N ATOM 524 CA LYS A 83 -5.272 14.703 -1.087 1.00 0.00 C ATOM 525 C LYS A 83 -6.498 15.240 -1.824 1.00 0.00 C ATOM 526 O LYS A 83 -6.594 16.416 -2.117 1.00 0.00 O ATOM 527 CB LYS A 83 -4.270 14.099 -2.074 1.00 0.00 C ATOM 528 CG LYS A 83 -3.736 15.195 -2.997 1.00 0.00 C ATOM 529 CD LYS A 83 -2.461 14.708 -3.687 1.00 0.00 C ATOM 530 CE LYS A 83 -2.803 13.567 -4.648 1.00 0.00 C ATOM 531 NZ LYS A 83 -3.281 14.240 -5.888 1.00 0.00 N ATOM 0 H LYS A 83 -5.311 12.664 -0.450 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.832 15.534 -0.535 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.447 13.632 -1.533 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.750 13.316 -2.662 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.488 15.456 -3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.529 16.099 -2.424 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.994 15.528 -4.232 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.740 14.368 -2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.931 12.944 -4.848 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.571 12.916 -4.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.113 13.737 -6.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.540 15.224 -5.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.525 14.230 -6.602 1.00 0.00 H new ATOM 545 N HIS A 84 -7.440 14.380 -2.115 1.00 0.00 N ATOM 546 CA HIS A 84 -8.677 14.826 -2.824 1.00 0.00 C ATOM 547 C HIS A 84 -9.448 15.812 -1.947 1.00 0.00 C ATOM 548 O HIS A 84 -10.102 16.714 -2.437 1.00 0.00 O ATOM 549 CB HIS A 84 -9.497 13.553 -3.051 1.00 0.00 C ATOM 550 CG HIS A 84 -10.686 13.869 -3.916 1.00 0.00 C ATOM 551 ND1 HIS A 84 -11.981 13.866 -3.421 1.00 0.00 N ATOM 552 CD2 HIS A 84 -10.793 14.198 -5.244 1.00 0.00 C ATOM 553 CE1 HIS A 84 -12.804 14.183 -4.437 1.00 0.00 C ATOM 554 NE2 HIS A 84 -12.131 14.396 -5.572 1.00 0.00 N ATOM 0 H HIS A 84 -7.406 13.385 -1.892 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.456 15.332 -3.764 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.880 12.791 -3.527 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.827 13.145 -2.096 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -9.964 14.289 -5.931 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -13.878 14.256 -4.347 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -12.515 14.649 -6.482 1.00 0.00 H new ATOM 562 N GLN A 85 -9.366 15.649 -0.651 1.00 0.00 N ATOM 563 CA GLN A 85 -10.084 16.579 0.272 1.00 0.00 C ATOM 564 C GLN A 85 -9.402 17.947 0.255 1.00 0.00 C ATOM 565 O GLN A 85 -10.047 18.975 0.353 1.00 0.00 O ATOM 566 CB GLN A 85 -9.975 15.939 1.658 1.00 0.00 C ATOM 567 CG GLN A 85 -11.223 16.277 2.476 1.00 0.00 C ATOM 568 CD GLN A 85 -11.062 17.662 3.106 1.00 0.00 C ATOM 569 OE1 GLN A 85 -10.505 17.793 4.177 1.00 0.00 O ATOM 570 NE2 GLN A 85 -11.530 18.708 2.481 1.00 0.00 N ATOM 0 H GLN A 85 -8.832 14.911 -0.192 1.00 0.00 H new ATOM 0 HA GLN A 85 -11.124 16.731 -0.016 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.871 14.858 1.564 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -9.083 16.302 2.169 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -12.106 16.257 1.837 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -11.375 15.528 3.253 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.998 18.598 1.581 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.428 19.636 2.892 1.00 0.00 H new ATOM 579 N LEU A 86 -8.099 17.965 0.123 1.00 0.00 N ATOM 580 CA LEU A 86 -7.364 19.265 0.088 1.00 0.00 C ATOM 581 C LEU A 86 -7.773 20.054 -1.159 1.00 0.00 C ATOM 582 O LEU A 86 -7.779 21.270 -1.158 1.00 0.00 O ATOM 583 CB LEU A 86 -5.878 18.890 0.029 1.00 0.00 C ATOM 584 CG LEU A 86 -5.089 19.749 1.020 1.00 0.00 C ATOM 585 CD1 LEU A 86 -3.915 18.940 1.576 1.00 0.00 C ATOM 586 CD2 LEU A 86 -4.557 20.992 0.305 1.00 0.00 C ATOM 0 H LEU A 86 -7.513 17.135 0.038 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.583 19.891 0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.750 17.834 0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.495 19.039 -0.981 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.742 20.051 1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.353 19.552 2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.293 18.053 2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.262 18.638 0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.995 21.605 1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.904 20.689 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.392 21.569 -0.091 1.00 0.00 H new ATOM 598 N PHE A 87 -8.122 19.365 -2.217 1.00 0.00 N ATOM 599 CA PHE A 87 -8.541 20.067 -3.469 1.00 0.00 C ATOM 600 C PHE A 87 -9.793 20.903 -3.199 1.00 0.00 C ATOM 601 O PHE A 87 -9.924 22.014 -3.674 1.00 0.00 O ATOM 602 CB PHE A 87 -8.847 18.955 -4.478 1.00 0.00 C ATOM 603 CG PHE A 87 -7.662 18.761 -5.397 1.00 0.00 C ATOM 604 CD1 PHE A 87 -7.535 19.545 -6.549 1.00 0.00 C ATOM 605 CD2 PHE A 87 -6.692 17.799 -5.095 1.00 0.00 C ATOM 606 CE1 PHE A 87 -6.438 19.366 -7.401 1.00 0.00 C ATOM 607 CE2 PHE A 87 -5.596 17.619 -5.945 1.00 0.00 C ATOM 608 CZ PHE A 87 -5.468 18.403 -7.098 1.00 0.00 C ATOM 0 H PHE A 87 -8.135 18.346 -2.268 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.771 20.744 -3.840 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -9.069 18.026 -3.953 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -9.732 19.212 -5.060 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -8.283 20.288 -6.781 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.790 17.195 -4.205 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.340 19.970 -8.291 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.848 16.875 -5.712 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.621 18.265 -7.754 1.00 0.00 H new ATOM 618 N LEU A 88 -10.708 20.372 -2.430 1.00 0.00 N ATOM 619 CA LEU A 88 -11.957 21.129 -2.112 1.00 0.00 C ATOM 620 C LEU A 88 -11.607 22.402 -1.340 1.00 0.00 C ATOM 621 O LEU A 88 -12.283 23.409 -1.444 1.00 0.00 O ATOM 622 CB LEU A 88 -12.793 20.187 -1.242 1.00 0.00 C ATOM 623 CG LEU A 88 -13.662 19.302 -2.137 1.00 0.00 C ATOM 624 CD1 LEU A 88 -12.912 18.009 -2.460 1.00 0.00 C ATOM 625 CD2 LEU A 88 -14.965 18.965 -1.408 1.00 0.00 C ATOM 0 H LEU A 88 -10.645 19.446 -2.008 1.00 0.00 H new ATOM 0 HA LEU A 88 -12.497 21.431 -3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -12.140 19.569 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.421 20.764 -0.563 1.00 0.00 H new ATOM 0 HG LEU A 88 -13.888 19.832 -3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -13.532 17.379 -3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -11.983 18.247 -2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -12.686 17.479 -1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.585 18.334 -2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.738 18.435 -0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.501 19.885 -1.176 1.00 0.00 H new ATOM 637 N GLN A 89 -10.549 22.362 -0.571 1.00 0.00 N ATOM 638 CA GLN A 89 -10.135 23.564 0.211 1.00 0.00 C ATOM 639 C GLN A 89 -9.287 24.506 -0.656 1.00 0.00 C ATOM 640 O GLN A 89 -9.113 25.665 -0.330 1.00 0.00 O ATOM 641 CB GLN A 89 -9.305 23.013 1.372 1.00 0.00 C ATOM 642 CG GLN A 89 -10.213 22.773 2.581 1.00 0.00 C ATOM 643 CD GLN A 89 -9.718 21.551 3.357 1.00 0.00 C ATOM 644 OE1 GLN A 89 -10.504 20.723 3.775 1.00 0.00 O ATOM 645 NE2 GLN A 89 -8.439 21.403 3.571 1.00 0.00 N ATOM 0 H GLN A 89 -9.952 21.544 -0.451 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.992 24.143 0.556 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.821 22.082 1.077 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.513 23.715 1.632 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.215 23.651 3.227 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.240 22.616 2.252 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.780 22.098 3.220 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.099 20.593 4.089 1.00 0.00 H new ATOM 654 N LEU A 90 -8.758 24.020 -1.756 1.00 0.00 N ATOM 655 CA LEU A 90 -7.918 24.890 -2.645 1.00 0.00 C ATOM 656 C LEU A 90 -8.689 26.155 -3.044 1.00 0.00 C ATOM 657 O LEU A 90 -8.054 27.184 -3.209 1.00 0.00 O ATOM 658 CB LEU A 90 -7.626 24.033 -3.881 1.00 0.00 C ATOM 659 CG LEU A 90 -6.725 24.808 -4.845 1.00 0.00 C ATOM 660 CD1 LEU A 90 -5.357 25.037 -4.198 1.00 0.00 C ATOM 661 CD2 LEU A 90 -6.551 24.005 -6.136 1.00 0.00 C ATOM 662 OXT LEU A 90 -9.899 26.072 -3.176 1.00 0.00 O ATOM 0 H LEU A 90 -8.871 23.058 -2.077 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.005 25.219 -2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.142 23.103 -3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.558 23.763 -4.377 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.182 25.771 -5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.717 25.589 -4.886 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.481 25.610 -3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.898 24.076 -3.968 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.909 24.556 -6.824 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.095 23.042 -5.907 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.525 23.844 -6.599 1.00 0.00 H new ATOM 675 N GLY B 166 -9.939 28.116 -0.020 1.00 0.00 N ATOM 676 CA GLY B 166 -8.489 28.442 -0.132 1.00 0.00 C ATOM 677 C GLY B 166 -8.101 29.441 0.959 1.00 0.00 C ATOM 678 O GLY B 166 -8.906 29.800 1.798 1.00 0.00 O ATOM 0 HA2 GLY B 166 -7.894 27.534 -0.036 1.00 0.00 H new ATOM 0 HA3 GLY B 166 -8.275 28.861 -1.115 1.00 0.00 H new ATOM 684 N LEU B 167 -6.872 29.889 0.951 1.00 0.00 N ATOM 685 CA LEU B 167 -6.418 30.866 1.986 1.00 0.00 C ATOM 686 C LEU B 167 -5.519 31.939 1.356 1.00 0.00 C ATOM 687 O LEU B 167 -5.663 33.115 1.635 1.00 0.00 O ATOM 688 CB LEU B 167 -5.650 30.040 3.032 1.00 0.00 C ATOM 689 CG LEU B 167 -4.543 29.200 2.374 1.00 0.00 C ATOM 690 CD1 LEU B 167 -3.223 29.961 2.425 1.00 0.00 C ATOM 691 CD2 LEU B 167 -4.400 27.877 3.125 1.00 0.00 C ATOM 0 H LEU B 167 -6.161 29.620 0.271 1.00 0.00 H new ATOM 0 HA LEU B 167 -7.256 31.394 2.440 1.00 0.00 H new ATOM 0 HB2 LEU B 167 -5.211 30.706 3.775 1.00 0.00 H new ATOM 0 HB3 LEU B 167 -6.342 29.384 3.561 1.00 0.00 H new ATOM 0 HG LEU B 167 -4.804 29.004 1.334 1.00 0.00 H new ATOM 0 HD11 LEU B 167 -2.440 29.363 1.958 1.00 0.00 H new ATOM 0 HD12 LEU B 167 -3.326 30.905 1.890 1.00 0.00 H new ATOM 0 HD13 LEU B 167 -2.957 30.159 3.463 1.00 0.00 H new ATOM 0 HD21 LEU B 167 -3.616 27.278 2.661 1.00 0.00 H new ATOM 0 HD22 LEU B 167 -4.139 28.075 4.164 1.00 0.00 H new ATOM 0 HD23 LEU B 167 -5.343 27.332 3.086 1.00 0.00 H new ATOM 703 N SER B 168 -4.599 31.547 0.510 1.00 0.00 N ATOM 704 CA SER B 168 -3.695 32.548 -0.139 1.00 0.00 C ATOM 705 C SER B 168 -3.181 32.038 -1.493 1.00 0.00 C ATOM 706 O SER B 168 -2.228 32.566 -2.032 1.00 0.00 O ATOM 707 CB SER B 168 -2.533 32.717 0.840 1.00 0.00 C ATOM 708 OG SER B 168 -3.006 33.334 2.029 1.00 0.00 O ATOM 0 H SER B 168 -4.434 30.577 0.240 1.00 0.00 H new ATOM 0 HA SER B 168 -4.212 33.486 -0.341 1.00 0.00 H new ATOM 0 HB2 SER B 168 -2.093 31.747 1.071 1.00 0.00 H new ATOM 0 HB3 SER B 168 -1.748 33.324 0.389 1.00 0.00 H new ATOM 0 HG SER B 168 -3.929 33.635 1.896 1.00 0.00 H new ATOM 714 N LYS B 169 -3.799 31.017 -2.051 1.00 0.00 N ATOM 715 CA LYS B 169 -3.344 30.468 -3.370 1.00 0.00 C ATOM 716 C LYS B 169 -1.831 30.220 -3.369 1.00 0.00 C ATOM 717 O LYS B 169 -1.188 30.244 -4.401 1.00 0.00 O ATOM 718 CB LYS B 169 -3.712 31.536 -4.400 1.00 0.00 C ATOM 719 CG LYS B 169 -3.810 30.892 -5.785 1.00 0.00 C ATOM 720 CD LYS B 169 -5.010 29.941 -5.824 1.00 0.00 C ATOM 721 CE LYS B 169 -5.348 29.600 -7.277 1.00 0.00 C ATOM 722 NZ LYS B 169 -6.836 29.649 -7.349 1.00 0.00 N ATOM 0 H LYS B 169 -4.604 30.540 -1.644 1.00 0.00 H new ATOM 0 HA LYS B 169 -3.814 29.509 -3.589 1.00 0.00 H new ATOM 0 HB2 LYS B 169 -4.661 32.001 -4.135 1.00 0.00 H new ATOM 0 HB3 LYS B 169 -2.961 32.326 -4.406 1.00 0.00 H new ATOM 0 HG2 LYS B 169 -3.918 31.662 -6.549 1.00 0.00 H new ATOM 0 HG3 LYS B 169 -2.893 30.347 -6.010 1.00 0.00 H new ATOM 0 HD2 LYS B 169 -4.783 29.030 -5.269 1.00 0.00 H new ATOM 0 HD3 LYS B 169 -5.870 30.404 -5.339 1.00 0.00 H new ATOM 0 HE2 LYS B 169 -4.896 30.314 -7.965 1.00 0.00 H new ATOM 0 HE3 LYS B 169 -4.972 28.614 -7.549 1.00 0.00 H new ATOM 0 HZ1 LYS B 169 -7.144 29.426 -8.317 1.00 0.00 H new ATOM 0 HZ2 LYS B 169 -7.239 28.954 -6.688 1.00 0.00 H new ATOM 0 HZ3 LYS B 169 -7.165 30.602 -7.092 1.00 0.00 H new ATOM 736 N GLU B 170 -1.266 29.985 -2.214 1.00 0.00 N ATOM 737 CA GLU B 170 0.201 29.736 -2.130 1.00 0.00 C ATOM 738 C GLU B 170 0.515 28.842 -0.933 1.00 0.00 C ATOM 739 O GLU B 170 1.259 27.885 -1.045 1.00 0.00 O ATOM 740 CB GLU B 170 0.831 31.118 -1.951 1.00 0.00 C ATOM 741 CG GLU B 170 2.165 31.175 -2.698 1.00 0.00 C ATOM 742 CD GLU B 170 1.947 31.774 -4.088 1.00 0.00 C ATOM 743 OE1 GLU B 170 1.197 32.732 -4.189 1.00 0.00 O ATOM 744 OE2 GLU B 170 2.535 31.267 -5.029 1.00 0.00 O ATOM 0 H GLU B 170 -1.761 29.955 -1.322 1.00 0.00 H new ATOM 0 HA GLU B 170 0.585 29.228 -3.015 1.00 0.00 H new ATOM 0 HB2 GLU B 170 0.158 31.887 -2.329 1.00 0.00 H new ATOM 0 HB3 GLU B 170 0.987 31.323 -0.892 1.00 0.00 H new ATOM 0 HG2 GLU B 170 2.881 31.777 -2.139 1.00 0.00 H new ATOM 0 HG3 GLU B 170 2.589 30.174 -2.784 1.00 0.00 H new ATOM 751 N GLU B 171 -0.052 29.141 0.208 1.00 0.00 N ATOM 752 CA GLU B 171 0.210 28.299 1.410 1.00 0.00 C ATOM 753 C GLU B 171 -0.536 26.975 1.267 1.00 0.00 C ATOM 754 O GLU B 171 -0.045 25.929 1.650 1.00 0.00 O ATOM 755 CB GLU B 171 -0.313 29.105 2.606 1.00 0.00 C ATOM 756 CG GLU B 171 0.838 29.412 3.568 1.00 0.00 C ATOM 757 CD GLU B 171 1.102 28.192 4.452 1.00 0.00 C ATOM 758 OE1 GLU B 171 1.290 27.117 3.905 1.00 0.00 O ATOM 759 OE2 GLU B 171 1.112 28.353 5.662 1.00 0.00 O ATOM 0 H GLU B 171 -0.682 29.929 0.357 1.00 0.00 H new ATOM 0 HA GLU B 171 1.267 28.065 1.537 1.00 0.00 H new ATOM 0 HB2 GLU B 171 -0.767 30.033 2.260 1.00 0.00 H new ATOM 0 HB3 GLU B 171 -1.091 28.543 3.123 1.00 0.00 H new ATOM 0 HG2 GLU B 171 1.736 29.669 3.007 1.00 0.00 H new ATOM 0 HG3 GLU B 171 0.590 30.275 4.186 1.00 0.00 H new ATOM 766 N LEU B 172 -1.711 27.015 0.697 1.00 0.00 N ATOM 767 CA LEU B 172 -2.492 25.761 0.498 1.00 0.00 C ATOM 768 C LEU B 172 -1.872 24.954 -0.644 1.00 0.00 C ATOM 769 O LEU B 172 -1.956 23.740 -0.675 1.00 0.00 O ATOM 770 CB LEU B 172 -3.907 26.212 0.134 1.00 0.00 C ATOM 771 CG LEU B 172 -4.914 25.174 0.630 1.00 0.00 C ATOM 772 CD1 LEU B 172 -6.286 25.829 0.795 1.00 0.00 C ATOM 773 CD2 LEU B 172 -5.013 24.033 -0.387 1.00 0.00 C ATOM 0 H LEU B 172 -2.164 27.865 0.360 1.00 0.00 H new ATOM 0 HA LEU B 172 -2.496 25.127 1.385 1.00 0.00 H new ATOM 0 HB2 LEU B 172 -4.118 27.183 0.583 1.00 0.00 H new ATOM 0 HB3 LEU B 172 -3.995 26.334 -0.946 1.00 0.00 H new ATOM 0 HG LEU B 172 -4.583 24.779 1.590 1.00 0.00 H new ATOM 0 HD11 LEU B 172 -7.003 25.088 1.149 1.00 0.00 H new ATOM 0 HD12 LEU B 172 -6.217 26.641 1.519 1.00 0.00 H new ATOM 0 HD13 LEU B 172 -6.618 26.226 -0.165 1.00 0.00 H new ATOM 0 HD21 LEU B 172 -5.731 23.292 -0.034 1.00 0.00 H new ATOM 0 HD22 LEU B 172 -5.343 24.429 -1.347 1.00 0.00 H new ATOM 0 HD23 LEU B 172 -4.036 23.564 -0.504 1.00 0.00 H new ATOM 785 N ILE B 173 -1.237 25.624 -1.576 1.00 0.00 N ATOM 786 CA ILE B 173 -0.593 24.901 -2.712 1.00 0.00 C ATOM 787 C ILE B 173 0.573 24.069 -2.182 1.00 0.00 C ATOM 788 O ILE B 173 0.848 22.986 -2.666 1.00 0.00 O ATOM 789 CB ILE B 173 -0.091 25.996 -3.666 1.00 0.00 C ATOM 790 CG1 ILE B 173 -1.268 26.873 -4.130 1.00 0.00 C ATOM 791 CG2 ILE B 173 0.588 25.354 -4.884 1.00 0.00 C ATOM 792 CD1 ILE B 173 -2.320 26.022 -4.850 1.00 0.00 C ATOM 0 H ILE B 173 -1.138 26.639 -1.597 1.00 0.00 H new ATOM 0 HA ILE B 173 -1.279 24.222 -3.219 1.00 0.00 H new ATOM 0 HB ILE B 173 0.631 26.620 -3.139 1.00 0.00 H new ATOM 0 HG12 ILE B 173 -1.719 27.370 -3.271 1.00 0.00 H new ATOM 0 HG13 ILE B 173 -0.906 27.655 -4.797 1.00 0.00 H new ATOM 0 HG21 ILE B 173 0.942 26.135 -5.557 1.00 0.00 H new ATOM 0 HG22 ILE B 173 1.433 24.750 -4.553 1.00 0.00 H new ATOM 0 HG23 ILE B 173 -0.128 24.721 -5.408 1.00 0.00 H new ATOM 0 HD11 ILE B 173 -3.145 26.658 -5.171 1.00 0.00 H new ATOM 0 HD12 ILE B 173 -1.869 25.546 -5.720 1.00 0.00 H new ATOM 0 HD13 ILE B 173 -2.695 25.256 -4.171 1.00 0.00 H new ATOM 804 N GLN B 174 1.251 24.568 -1.181 1.00 0.00 N ATOM 805 CA GLN B 174 2.395 23.807 -0.596 1.00 0.00 C ATOM 806 C GLN B 174 1.864 22.618 0.206 1.00 0.00 C ATOM 807 O GLN B 174 2.516 21.598 0.325 1.00 0.00 O ATOM 808 CB GLN B 174 3.115 24.799 0.321 1.00 0.00 C ATOM 809 CG GLN B 174 4.304 25.415 -0.420 1.00 0.00 C ATOM 810 CD GLN B 174 5.450 25.657 0.563 1.00 0.00 C ATOM 811 OE1 GLN B 174 5.608 24.928 1.521 1.00 0.00 O ATOM 812 NE2 GLN B 174 6.263 26.659 0.364 1.00 0.00 N ATOM 0 H GLN B 174 1.062 25.470 -0.743 1.00 0.00 H new ATOM 0 HA GLN B 174 3.065 23.411 -1.359 1.00 0.00 H new ATOM 0 HB2 GLN B 174 2.426 25.582 0.638 1.00 0.00 H new ATOM 0 HB3 GLN B 174 3.459 24.292 1.223 1.00 0.00 H new ATOM 0 HG2 GLN B 174 4.631 24.750 -1.220 1.00 0.00 H new ATOM 0 HG3 GLN B 174 4.008 26.354 -0.887 1.00 0.00 H new ATOM 0 HE21 GLN B 174 6.130 27.271 -0.441 1.00 0.00 H new ATOM 0 HE22 GLN B 174 7.031 26.829 1.013 1.00 0.00 H new ATOM 821 N ASN B 175 0.679 22.745 0.751 1.00 0.00 N ATOM 822 CA ASN B 175 0.091 21.623 1.542 1.00 0.00 C ATOM 823 C ASN B 175 -0.296 20.474 0.610 1.00 0.00 C ATOM 824 O ASN B 175 -0.096 19.316 0.924 1.00 0.00 O ATOM 825 CB ASN B 175 -1.152 22.210 2.214 1.00 0.00 C ATOM 826 CG ASN B 175 -0.733 23.060 3.416 1.00 0.00 C ATOM 827 OD1 ASN B 175 0.323 22.857 3.980 1.00 0.00 O ATOM 828 ND2 ASN B 175 -1.523 24.011 3.833 1.00 0.00 N ATOM 0 H ASN B 175 0.094 23.578 0.681 1.00 0.00 H new ATOM 0 HA ASN B 175 0.793 21.222 2.273 1.00 0.00 H new ATOM 0 HB2 ASN B 175 -1.709 22.819 1.502 1.00 0.00 H new ATOM 0 HB3 ASN B 175 -1.816 21.408 2.537 1.00 0.00 H new ATOM 0 HD21 ASN B 175 -1.254 24.584 4.633 1.00 0.00 H new ATOM 0 HD22 ASN B 175 -2.410 24.182 3.359 1.00 0.00 H new ATOM 835 N MET B 176 -0.844 20.790 -0.535 1.00 0.00 N ATOM 836 CA MET B 176 -1.245 19.718 -1.497 1.00 0.00 C ATOM 837 C MET B 176 -0.007 18.943 -1.953 1.00 0.00 C ATOM 838 O MET B 176 -0.075 17.763 -2.243 1.00 0.00 O ATOM 839 CB MET B 176 -1.894 20.448 -2.680 1.00 0.00 C ATOM 840 CG MET B 176 -3.409 20.217 -2.664 1.00 0.00 C ATOM 841 SD MET B 176 -4.043 20.223 -4.359 1.00 0.00 S ATOM 842 CE MET B 176 -5.366 21.431 -4.102 1.00 0.00 C ATOM 0 H MET B 176 -1.031 21.743 -0.846 1.00 0.00 H new ATOM 0 HA MET B 176 -1.931 18.998 -1.051 1.00 0.00 H new ATOM 0 HB2 MET B 176 -1.679 21.515 -2.623 1.00 0.00 H new ATOM 0 HB3 MET B 176 -1.472 20.087 -3.618 1.00 0.00 H new ATOM 0 HG2 MET B 176 -3.637 19.266 -2.183 1.00 0.00 H new ATOM 0 HG3 MET B 176 -3.899 20.995 -2.079 1.00 0.00 H new ATOM 0 HE1 MET B 176 -6.114 21.324 -4.887 1.00 0.00 H new ATOM 0 HE2 MET B 176 -5.831 21.260 -3.131 1.00 0.00 H new ATOM 0 HE3 MET B 176 -4.950 22.438 -4.133 1.00 0.00 H new ATOM 852 N ASP B 177 1.123 19.598 -2.008 1.00 0.00 N ATOM 853 CA ASP B 177 2.376 18.906 -2.434 1.00 0.00 C ATOM 854 C ASP B 177 2.890 18.016 -1.300 1.00 0.00 C ATOM 855 O ASP B 177 3.533 17.009 -1.532 1.00 0.00 O ATOM 856 CB ASP B 177 3.374 20.025 -2.733 1.00 0.00 C ATOM 857 CG ASP B 177 4.452 19.507 -3.687 1.00 0.00 C ATOM 858 OD1 ASP B 177 4.171 19.410 -4.869 1.00 0.00 O ATOM 859 OD2 ASP B 177 5.541 19.216 -3.218 1.00 0.00 O ATOM 0 H ASP B 177 1.233 20.585 -1.776 1.00 0.00 H new ATOM 0 HA ASP B 177 2.220 18.265 -3.302 1.00 0.00 H new ATOM 0 HB2 ASP B 177 2.859 20.877 -3.177 1.00 0.00 H new ATOM 0 HB3 ASP B 177 3.831 20.376 -1.808 1.00 0.00 H new ATOM 864 N ARG B 178 2.608 18.382 -0.075 1.00 0.00 N ATOM 865 CA ARG B 178 3.074 17.562 1.083 1.00 0.00 C ATOM 866 C ARG B 178 2.249 16.278 1.185 1.00 0.00 C ATOM 867 O ARG B 178 2.739 15.250 1.613 1.00 0.00 O ATOM 868 CB ARG B 178 2.851 18.441 2.316 1.00 0.00 C ATOM 869 CG ARG B 178 3.402 17.732 3.556 1.00 0.00 C ATOM 870 CD ARG B 178 4.904 18.002 3.677 1.00 0.00 C ATOM 871 NE ARG B 178 5.559 16.789 3.112 1.00 0.00 N ATOM 872 CZ ARG B 178 6.679 16.355 3.623 1.00 0.00 C ATOM 873 NH1 ARG B 178 6.668 15.668 4.732 1.00 0.00 N ATOM 874 NH2 ARG B 178 7.810 16.607 3.023 1.00 0.00 N ATOM 0 H ARG B 178 2.074 19.215 0.173 1.00 0.00 H new ATOM 0 HA ARG B 178 4.118 17.265 0.982 1.00 0.00 H new ATOM 0 HB2 ARG B 178 3.346 19.403 2.184 1.00 0.00 H new ATOM 0 HB3 ARG B 178 1.788 18.645 2.443 1.00 0.00 H new ATOM 0 HG2 ARG B 178 2.886 18.085 4.449 1.00 0.00 H new ATOM 0 HG3 ARG B 178 3.220 16.660 3.485 1.00 0.00 H new ATOM 0 HD2 ARG B 178 5.190 18.898 3.126 1.00 0.00 H new ATOM 0 HD3 ARG B 178 5.194 18.160 4.716 1.00 0.00 H new ATOM 0 HE ARG B 178 5.132 16.298 2.326 1.00 0.00 H new ATOM 0 HH11 ARG B 178 5.784 15.470 5.200 1.00 0.00 H new ATOM 0 HH12 ARG B 178 7.544 15.329 5.131 1.00 0.00 H new ATOM 0 HH21 ARG B 178 7.819 17.143 2.155 1.00 0.00 H new ATOM 0 HH22 ARG B 178 8.685 16.268 3.422 1.00 0.00 H new ATOM 888 N VAL B 179 1.002 16.331 0.788 1.00 0.00 N ATOM 889 CA VAL B 179 0.141 15.111 0.856 1.00 0.00 C ATOM 890 C VAL B 179 0.568 14.114 -0.224 1.00 0.00 C ATOM 891 O VAL B 179 0.432 12.916 -0.061 1.00 0.00 O ATOM 892 CB VAL B 179 -1.289 15.605 0.605 1.00 0.00 C ATOM 893 CG1 VAL B 179 -2.259 14.422 0.666 1.00 0.00 C ATOM 894 CG2 VAL B 179 -1.674 16.631 1.678 1.00 0.00 C ATOM 0 H VAL B 179 0.544 17.165 0.420 1.00 0.00 H new ATOM 0 HA VAL B 179 0.222 14.600 1.816 1.00 0.00 H new ATOM 0 HB VAL B 179 -1.341 16.069 -0.380 1.00 0.00 H new ATOM 0 HG11 VAL B 179 -3.275 14.775 0.487 1.00 0.00 H new ATOM 0 HG12 VAL B 179 -1.990 13.691 -0.096 1.00 0.00 H new ATOM 0 HG13 VAL B 179 -2.204 13.957 1.650 1.00 0.00 H new ATOM 0 HG21 VAL B 179 -2.690 16.981 1.498 1.00 0.00 H new ATOM 0 HG22 VAL B 179 -1.619 16.166 2.662 1.00 0.00 H new ATOM 0 HG23 VAL B 179 -0.987 17.476 1.637 1.00 0.00 H new ATOM 904 N ASP B 180 1.087 14.601 -1.322 1.00 0.00 N ATOM 905 CA ASP B 180 1.532 13.686 -2.416 1.00 0.00 C ATOM 906 C ASP B 180 2.814 12.962 -2.001 1.00 0.00 C ATOM 907 O ASP B 180 3.064 11.843 -2.408 1.00 0.00 O ATOM 908 CB ASP B 180 1.790 14.591 -3.622 1.00 0.00 C ATOM 909 CG ASP B 180 1.659 13.776 -4.910 1.00 0.00 C ATOM 910 OD1 ASP B 180 0.537 13.557 -5.336 1.00 0.00 O ATOM 911 OD2 ASP B 180 2.681 13.386 -5.449 1.00 0.00 O ATOM 0 H ASP B 180 1.222 15.595 -1.508 1.00 0.00 H new ATOM 0 HA ASP B 180 0.789 12.921 -2.641 1.00 0.00 H new ATOM 0 HB2 ASP B 180 1.079 15.417 -3.628 1.00 0.00 H new ATOM 0 HB3 ASP B 180 2.786 15.028 -3.555 1.00 0.00 H new ATOM 916 N ARG B 181 3.620 13.595 -1.190 1.00 0.00 N ATOM 917 CA ARG B 181 4.889 12.950 -0.733 1.00 0.00 C ATOM 918 C ARG B 181 4.580 11.872 0.310 1.00 0.00 C ATOM 919 O ARG B 181 5.299 10.900 0.441 1.00 0.00 O ATOM 920 CB ARG B 181 5.713 14.080 -0.111 1.00 0.00 C ATOM 921 CG ARG B 181 7.186 13.907 -0.486 1.00 0.00 C ATOM 922 CD ARG B 181 7.400 14.355 -1.934 1.00 0.00 C ATOM 923 NE ARG B 181 8.852 14.670 -2.028 1.00 0.00 N ATOM 924 CZ ARG B 181 9.681 13.782 -2.506 1.00 0.00 C ATOM 925 NH1 ARG B 181 9.894 13.713 -3.792 1.00 0.00 N ATOM 926 NH2 ARG B 181 10.300 12.965 -1.697 1.00 0.00 N ATOM 0 H ARG B 181 3.455 14.532 -0.823 1.00 0.00 H new ATOM 0 HA ARG B 181 5.424 12.464 -1.549 1.00 0.00 H new ATOM 0 HB2 ARG B 181 5.349 15.045 -0.462 1.00 0.00 H new ATOM 0 HB3 ARG B 181 5.600 14.072 0.973 1.00 0.00 H new ATOM 0 HG2 ARG B 181 7.814 14.494 0.184 1.00 0.00 H new ATOM 0 HG3 ARG B 181 7.482 12.865 -0.369 1.00 0.00 H new ATOM 0 HD2 ARG B 181 7.120 13.569 -2.636 1.00 0.00 H new ATOM 0 HD3 ARG B 181 6.791 15.227 -2.172 1.00 0.00 H new ATOM 0 HE ARG B 181 9.199 15.578 -1.719 1.00 0.00 H new ATOM 0 HH11 ARG B 181 9.413 14.353 -4.424 1.00 0.00 H new ATOM 0 HH12 ARG B 181 10.542 13.019 -4.165 1.00 0.00 H new ATOM 0 HH21 ARG B 181 10.136 13.021 -0.692 1.00 0.00 H new ATOM 0 HH22 ARG B 181 10.948 12.271 -2.070 1.00 0.00 H new ATOM 940 N GLU B 182 3.512 12.041 1.050 1.00 0.00 N ATOM 941 CA GLU B 182 3.145 11.029 2.086 1.00 0.00 C ATOM 942 C GLU B 182 2.579 9.775 1.416 1.00 0.00 C ATOM 943 O GLU B 182 2.763 8.670 1.893 1.00 0.00 O ATOM 944 CB GLU B 182 2.078 11.704 2.949 1.00 0.00 C ATOM 945 CG GLU B 182 2.269 11.294 4.411 1.00 0.00 C ATOM 946 CD GLU B 182 1.832 12.442 5.324 1.00 0.00 C ATOM 947 OE1 GLU B 182 0.643 12.702 5.388 1.00 0.00 O ATOM 948 OE2 GLU B 182 2.696 13.041 5.944 1.00 0.00 O ATOM 0 H GLU B 182 2.878 12.837 0.980 1.00 0.00 H new ATOM 0 HA GLU B 182 4.004 10.716 2.679 1.00 0.00 H new ATOM 0 HB2 GLU B 182 2.149 12.787 2.852 1.00 0.00 H new ATOM 0 HB3 GLU B 182 1.084 11.417 2.607 1.00 0.00 H new ATOM 0 HG2 GLU B 182 1.685 10.400 4.628 1.00 0.00 H new ATOM 0 HG3 GLU B 182 3.314 11.045 4.597 1.00 0.00 H new ATOM 955 N ILE B 183 1.898 9.941 0.312 1.00 0.00 N ATOM 956 CA ILE B 183 1.320 8.761 -0.401 1.00 0.00 C ATOM 957 C ILE B 183 2.444 7.947 -1.049 1.00 0.00 C ATOM 958 O ILE B 183 2.338 6.745 -1.209 1.00 0.00 O ATOM 959 CB ILE B 183 0.383 9.345 -1.466 1.00 0.00 C ATOM 960 CG1 ILE B 183 -0.708 10.177 -0.787 1.00 0.00 C ATOM 961 CG2 ILE B 183 -0.271 8.209 -2.256 1.00 0.00 C ATOM 962 CD1 ILE B 183 -1.383 11.078 -1.823 1.00 0.00 C ATOM 0 H ILE B 183 1.717 10.843 -0.128 1.00 0.00 H new ATOM 0 HA ILE B 183 0.785 8.091 0.271 1.00 0.00 H new ATOM 0 HB ILE B 183 0.959 9.976 -2.143 1.00 0.00 H new ATOM 0 HG12 ILE B 183 -1.445 9.521 -0.325 1.00 0.00 H new ATOM 0 HG13 ILE B 183 -0.276 10.782 0.010 1.00 0.00 H new ATOM 0 HG21 ILE B 183 -0.936 8.627 -3.012 1.00 0.00 H new ATOM 0 HG22 ILE B 183 0.501 7.612 -2.742 1.00 0.00 H new ATOM 0 HG23 ILE B 183 -0.844 7.577 -1.578 1.00 0.00 H new ATOM 0 HD11 ILE B 183 -2.160 11.670 -1.339 1.00 0.00 H new ATOM 0 HD12 ILE B 183 -0.641 11.744 -2.265 1.00 0.00 H new ATOM 0 HD13 ILE B 183 -1.829 10.463 -2.604 1.00 0.00 H new ATOM 974 N THR B 184 3.520 8.596 -1.416 1.00 0.00 N ATOM 975 CA THR B 184 4.661 7.866 -2.048 1.00 0.00 C ATOM 976 C THR B 184 5.336 6.963 -1.012 1.00 0.00 C ATOM 977 O THR B 184 5.802 5.884 -1.326 1.00 0.00 O ATOM 978 CB THR B 184 5.628 8.955 -2.520 1.00 0.00 C ATOM 979 OG1 THR B 184 4.891 10.115 -2.881 1.00 0.00 O ATOM 980 CG2 THR B 184 6.416 8.451 -3.730 1.00 0.00 C ATOM 0 H THR B 184 3.658 9.601 -1.305 1.00 0.00 H new ATOM 0 HA THR B 184 4.339 7.230 -2.873 1.00 0.00 H new ATOM 0 HB THR B 184 6.321 9.200 -1.715 1.00 0.00 H new ATOM 0 HG1 THR B 184 5.508 10.814 -3.182 1.00 0.00 H new ATOM 0 HG21 THR B 184 7.104 9.227 -4.065 1.00 0.00 H new ATOM 0 HG22 THR B 184 6.981 7.561 -3.452 1.00 0.00 H new ATOM 0 HG23 THR B 184 5.726 8.205 -4.537 1.00 0.00 H new ATOM 988 N MET B 185 5.381 7.399 0.223 1.00 0.00 N ATOM 989 CA MET B 185 6.018 6.569 1.292 1.00 0.00 C ATOM 990 C MET B 185 5.177 5.318 1.547 1.00 0.00 C ATOM 991 O MET B 185 5.693 4.219 1.627 1.00 0.00 O ATOM 992 CB MET B 185 6.045 7.460 2.535 1.00 0.00 C ATOM 993 CG MET B 185 7.062 6.910 3.536 1.00 0.00 C ATOM 994 SD MET B 185 7.066 7.942 5.022 1.00 0.00 S ATOM 995 CE MET B 185 7.044 6.597 6.232 1.00 0.00 C ATOM 0 H MET B 185 5.004 8.293 0.537 1.00 0.00 H new ATOM 0 HA MET B 185 7.018 6.236 1.016 1.00 0.00 H new ATOM 0 HB2 MET B 185 6.307 8.481 2.258 1.00 0.00 H new ATOM 0 HB3 MET B 185 5.055 7.498 2.990 1.00 0.00 H new ATOM 0 HG2 MET B 185 6.813 5.881 3.796 1.00 0.00 H new ATOM 0 HG3 MET B 185 8.056 6.894 3.089 1.00 0.00 H new ATOM 0 HE1 MET B 185 7.043 7.014 7.239 1.00 0.00 H new ATOM 0 HE2 MET B 185 6.148 5.993 6.089 1.00 0.00 H new ATOM 0 HE3 MET B 185 7.927 5.973 6.098 1.00 0.00 H new ATOM 1005 N VAL B 186 3.883 5.478 1.669 1.00 0.00 N ATOM 1006 CA VAL B 186 2.998 4.297 1.912 1.00 0.00 C ATOM 1007 C VAL B 186 2.971 3.411 0.664 1.00 0.00 C ATOM 1008 O VAL B 186 2.819 2.207 0.751 1.00 0.00 O ATOM 1009 CB VAL B 186 1.609 4.880 2.196 1.00 0.00 C ATOM 1010 CG1 VAL B 186 0.617 3.745 2.464 1.00 0.00 C ATOM 1011 CG2 VAL B 186 1.677 5.789 3.427 1.00 0.00 C ATOM 0 H VAL B 186 3.401 6.375 1.611 1.00 0.00 H new ATOM 0 HA VAL B 186 3.345 3.679 2.740 1.00 0.00 H new ATOM 0 HB VAL B 186 1.279 5.456 1.331 1.00 0.00 H new ATOM 0 HG11 VAL B 186 -0.369 4.164 2.665 1.00 0.00 H new ATOM 0 HG12 VAL B 186 0.564 3.095 1.591 1.00 0.00 H new ATOM 0 HG13 VAL B 186 0.949 3.168 3.327 1.00 0.00 H new ATOM 0 HG21 VAL B 186 0.689 6.203 3.628 1.00 0.00 H new ATOM 0 HG22 VAL B 186 2.010 5.210 4.289 1.00 0.00 H new ATOM 0 HG23 VAL B 186 2.380 6.601 3.241 1.00 0.00 H new ATOM 1021 N GLU B 187 3.126 4.002 -0.493 1.00 0.00 N ATOM 1022 CA GLU B 187 3.119 3.204 -1.756 1.00 0.00 C ATOM 1023 C GLU B 187 4.427 2.421 -1.885 1.00 0.00 C ATOM 1024 O GLU B 187 4.466 1.356 -2.474 1.00 0.00 O ATOM 1025 CB GLU B 187 2.995 4.233 -2.881 1.00 0.00 C ATOM 1026 CG GLU B 187 2.554 3.532 -4.168 1.00 0.00 C ATOM 1027 CD GLU B 187 2.218 4.580 -5.230 1.00 0.00 C ATOM 1028 OE1 GLU B 187 2.993 5.510 -5.383 1.00 0.00 O ATOM 1029 OE2 GLU B 187 1.192 4.434 -5.874 1.00 0.00 O ATOM 0 H GLU B 187 3.257 5.006 -0.618 1.00 0.00 H new ATOM 0 HA GLU B 187 2.306 2.478 -1.783 1.00 0.00 H new ATOM 0 HB2 GLU B 187 2.272 5.002 -2.607 1.00 0.00 H new ATOM 0 HB3 GLU B 187 3.950 4.734 -3.036 1.00 0.00 H new ATOM 0 HG2 GLU B 187 3.347 2.876 -4.527 1.00 0.00 H new ATOM 0 HG3 GLU B 187 1.684 2.904 -3.973 1.00 0.00 H new ATOM 1036 N GLN B 188 5.495 2.941 -1.335 1.00 0.00 N ATOM 1037 CA GLN B 188 6.807 2.231 -1.417 1.00 0.00 C ATOM 1038 C GLN B 188 6.793 1.000 -0.509 1.00 0.00 C ATOM 1039 O GLN B 188 7.440 0.007 -0.785 1.00 0.00 O ATOM 1040 CB GLN B 188 7.848 3.244 -0.934 1.00 0.00 C ATOM 1041 CG GLN B 188 8.205 4.198 -2.076 1.00 0.00 C ATOM 1042 CD GLN B 188 8.894 3.420 -3.199 1.00 0.00 C ATOM 1043 OE1 GLN B 188 9.997 2.937 -3.033 1.00 0.00 O ATOM 1044 NE2 GLN B 188 8.285 3.275 -4.344 1.00 0.00 N ATOM 0 H GLN B 188 5.515 3.828 -0.832 1.00 0.00 H new ATOM 0 HA GLN B 188 7.024 1.883 -2.427 1.00 0.00 H new ATOM 0 HB2 GLN B 188 7.457 3.806 -0.086 1.00 0.00 H new ATOM 0 HB3 GLN B 188 8.742 2.725 -0.587 1.00 0.00 H new ATOM 0 HG2 GLN B 188 7.304 4.681 -2.454 1.00 0.00 H new ATOM 0 HG3 GLN B 188 8.862 4.988 -1.711 1.00 0.00 H new ATOM 0 HE21 GLN B 188 7.359 3.680 -4.484 1.00 0.00 H new ATOM 0 HE22 GLN B 188 8.735 2.757 -5.099 1.00 0.00 H new ATOM 1053 N GLN B 189 6.054 1.060 0.568 1.00 0.00 N ATOM 1054 CA GLN B 189 5.983 -0.105 1.500 1.00 0.00 C ATOM 1055 C GLN B 189 5.121 -1.208 0.882 1.00 0.00 C ATOM 1056 O GLN B 189 5.436 -2.379 0.972 1.00 0.00 O ATOM 1057 CB GLN B 189 5.336 0.438 2.781 1.00 0.00 C ATOM 1058 CG GLN B 189 6.154 0.001 4.003 1.00 0.00 C ATOM 1059 CD GLN B 189 7.076 1.143 4.439 1.00 0.00 C ATOM 1060 OE1 GLN B 189 7.246 1.384 5.619 1.00 0.00 O ATOM 1061 NE2 GLN B 189 7.683 1.860 3.534 1.00 0.00 N ATOM 0 H GLN B 189 5.495 1.868 0.843 1.00 0.00 H new ATOM 0 HA GLN B 189 6.963 -0.537 1.702 1.00 0.00 H new ATOM 0 HB2 GLN B 189 5.282 1.526 2.739 1.00 0.00 H new ATOM 0 HB3 GLN B 189 4.313 0.071 2.866 1.00 0.00 H new ATOM 0 HG2 GLN B 189 5.487 -0.274 4.820 1.00 0.00 H new ATOM 0 HG3 GLN B 189 6.743 -0.884 3.761 1.00 0.00 H new ATOM 0 HE21 GLN B 189 7.541 1.659 2.544 1.00 0.00 H new ATOM 0 HE22 GLN B 189 8.300 2.622 3.816 1.00 0.00 H new ATOM 1070 N ILE B 190 4.039 -0.834 0.247 1.00 0.00 N ATOM 1071 CA ILE B 190 3.152 -1.853 -0.391 1.00 0.00 C ATOM 1072 C ILE B 190 3.852 -2.452 -1.613 1.00 0.00 C ATOM 1073 O ILE B 190 3.636 -3.596 -1.964 1.00 0.00 O ATOM 1074 CB ILE B 190 1.887 -1.091 -0.805 1.00 0.00 C ATOM 1075 CG1 ILE B 190 1.239 -0.469 0.437 1.00 0.00 C ATOM 1076 CG2 ILE B 190 0.898 -2.057 -1.464 1.00 0.00 C ATOM 1077 CD1 ILE B 190 0.050 0.400 0.021 1.00 0.00 C ATOM 0 H ILE B 190 3.732 0.133 0.143 1.00 0.00 H new ATOM 0 HA ILE B 190 2.915 -2.678 0.281 1.00 0.00 H new ATOM 0 HB ILE B 190 2.152 -0.305 -1.512 1.00 0.00 H new ATOM 0 HG12 ILE B 190 0.907 -1.254 1.117 1.00 0.00 H new ATOM 0 HG13 ILE B 190 1.970 0.133 0.977 1.00 0.00 H new ATOM 0 HG21 ILE B 190 -0.000 -1.514 -1.758 1.00 0.00 H new ATOM 0 HG22 ILE B 190 1.357 -2.502 -2.346 1.00 0.00 H new ATOM 0 HG23 ILE B 190 0.632 -2.843 -0.758 1.00 0.00 H new ATOM 0 HD11 ILE B 190 -0.407 0.840 0.907 1.00 0.00 H new ATOM 0 HD12 ILE B 190 0.394 1.194 -0.642 1.00 0.00 H new ATOM 0 HD13 ILE B 190 -0.685 -0.214 -0.499 1.00 0.00 H new ATOM 1089 N SER B 191 4.697 -1.684 -2.256 1.00 0.00 N ATOM 1090 CA SER B 191 5.426 -2.204 -3.452 1.00 0.00 C ATOM 1091 C SER B 191 6.449 -3.253 -3.012 1.00 0.00 C ATOM 1092 O SER B 191 6.699 -4.219 -3.708 1.00 0.00 O ATOM 1093 CB SER B 191 6.125 -0.986 -4.064 1.00 0.00 C ATOM 1094 OG SER B 191 5.810 -0.913 -5.449 1.00 0.00 O ATOM 0 H SER B 191 4.913 -0.720 -2.004 1.00 0.00 H new ATOM 0 HA SER B 191 4.761 -2.682 -4.171 1.00 0.00 H new ATOM 0 HB2 SER B 191 5.805 -0.075 -3.558 1.00 0.00 H new ATOM 0 HB3 SER B 191 7.204 -1.064 -3.928 1.00 0.00 H new ATOM 0 HG SER B 191 6.254 -0.134 -5.845 1.00 0.00 H new ATOM 1100 N LYS B 192 7.036 -3.068 -1.855 1.00 0.00 N ATOM 1101 CA LYS B 192 8.041 -4.055 -1.356 1.00 0.00 C ATOM 1102 C LYS B 192 7.324 -5.305 -0.844 1.00 0.00 C ATOM 1103 O LYS B 192 7.804 -6.412 -0.999 1.00 0.00 O ATOM 1104 CB LYS B 192 8.770 -3.344 -0.215 1.00 0.00 C ATOM 1105 CG LYS B 192 9.547 -2.150 -0.772 1.00 0.00 C ATOM 1106 CD LYS B 192 10.768 -2.651 -1.545 1.00 0.00 C ATOM 1107 CE LYS B 192 11.655 -1.463 -1.926 1.00 0.00 C ATOM 1108 NZ LYS B 192 13.007 -2.048 -2.144 1.00 0.00 N ATOM 0 H LYS B 192 6.862 -2.276 -1.236 1.00 0.00 H new ATOM 0 HA LYS B 192 8.733 -4.376 -2.134 1.00 0.00 H new ATOM 0 HB2 LYS B 192 8.054 -3.008 0.535 1.00 0.00 H new ATOM 0 HB3 LYS B 192 9.451 -4.035 0.282 1.00 0.00 H new ATOM 0 HG2 LYS B 192 8.906 -1.559 -1.427 1.00 0.00 H new ATOM 0 HG3 LYS B 192 9.862 -1.496 0.041 1.00 0.00 H new ATOM 0 HD2 LYS B 192 11.331 -3.359 -0.937 1.00 0.00 H new ATOM 0 HD3 LYS B 192 10.451 -3.184 -2.442 1.00 0.00 H new ATOM 0 HE2 LYS B 192 11.289 -0.969 -2.826 1.00 0.00 H new ATOM 0 HE3 LYS B 192 11.672 -0.713 -1.135 1.00 0.00 H new ATOM 0 HZ1 LYS B 192 13.673 -1.294 -2.409 1.00 0.00 H new ATOM 0 HZ2 LYS B 192 13.333 -2.505 -1.269 1.00 0.00 H new ATOM 0 HZ3 LYS B 192 12.961 -2.753 -2.907 1.00 0.00 H new ATOM 1122 N LEU B 193 6.174 -5.132 -0.243 1.00 0.00 N ATOM 1123 CA LEU B 193 5.410 -6.307 0.273 1.00 0.00 C ATOM 1124 C LEU B 193 4.708 -7.032 -0.881 1.00 0.00 C ATOM 1125 O LEU B 193 4.341 -8.186 -0.764 1.00 0.00 O ATOM 1126 CB LEU B 193 4.386 -5.726 1.254 1.00 0.00 C ATOM 1127 CG LEU B 193 4.336 -6.588 2.524 1.00 0.00 C ATOM 1128 CD1 LEU B 193 5.095 -5.887 3.653 1.00 0.00 C ATOM 1129 CD2 LEU B 193 2.877 -6.799 2.947 1.00 0.00 C ATOM 0 H LEU B 193 5.731 -4.226 -0.087 1.00 0.00 H new ATOM 0 HA LEU B 193 6.058 -7.038 0.756 1.00 0.00 H new ATOM 0 HB2 LEU B 193 4.654 -4.701 1.509 1.00 0.00 H new ATOM 0 HB3 LEU B 193 3.401 -5.691 0.788 1.00 0.00 H new ATOM 0 HG LEU B 193 4.799 -7.553 2.320 1.00 0.00 H new ATOM 0 HD11 LEU B 193 5.058 -6.501 4.553 1.00 0.00 H new ATOM 0 HD12 LEU B 193 6.134 -5.740 3.357 1.00 0.00 H new ATOM 0 HD13 LEU B 193 4.635 -4.920 3.855 1.00 0.00 H new ATOM 0 HD21 LEU B 193 2.844 -7.411 3.848 1.00 0.00 H new ATOM 0 HD22 LEU B 193 2.413 -5.833 3.147 1.00 0.00 H new ATOM 0 HD23 LEU B 193 2.335 -7.303 2.147 1.00 0.00 H new ATOM 1141 N LYS B 194 4.524 -6.369 -1.997 1.00 0.00 N ATOM 1142 CA LYS B 194 3.861 -7.026 -3.159 1.00 0.00 C ATOM 1143 C LYS B 194 4.901 -7.810 -3.963 1.00 0.00 C ATOM 1144 O LYS B 194 4.590 -8.801 -4.595 1.00 0.00 O ATOM 1145 CB LYS B 194 3.283 -5.881 -3.993 1.00 0.00 C ATOM 1146 CG LYS B 194 1.827 -5.641 -3.591 1.00 0.00 C ATOM 1147 CD LYS B 194 0.981 -6.854 -3.986 1.00 0.00 C ATOM 1148 CE LYS B 194 -0.484 -6.435 -4.120 1.00 0.00 C ATOM 1149 NZ LYS B 194 -1.137 -7.551 -4.859 1.00 0.00 N ATOM 0 H LYS B 194 4.806 -5.401 -2.150 1.00 0.00 H new ATOM 0 HA LYS B 194 3.085 -7.730 -2.857 1.00 0.00 H new ATOM 0 HB2 LYS B 194 3.868 -4.974 -3.840 1.00 0.00 H new ATOM 0 HB3 LYS B 194 3.343 -6.123 -5.054 1.00 0.00 H new ATOM 0 HG2 LYS B 194 1.759 -5.471 -2.516 1.00 0.00 H new ATOM 0 HG3 LYS B 194 1.447 -4.744 -4.080 1.00 0.00 H new ATOM 0 HD2 LYS B 194 1.339 -7.269 -4.928 1.00 0.00 H new ATOM 0 HD3 LYS B 194 1.078 -7.638 -3.235 1.00 0.00 H new ATOM 0 HE2 LYS B 194 -0.943 -6.287 -3.143 1.00 0.00 H new ATOM 0 HE3 LYS B 194 -0.578 -5.494 -4.662 1.00 0.00 H new ATOM 0 HZ1 LYS B 194 -2.146 -7.337 -4.990 1.00 0.00 H new ATOM 0 HZ2 LYS B 194 -0.684 -7.664 -5.788 1.00 0.00 H new ATOM 0 HZ3 LYS B 194 -1.038 -8.432 -4.316 1.00 0.00 H new ATOM 1163 N LYS B 195 6.136 -7.373 -3.930 1.00 0.00 N ATOM 1164 CA LYS B 195 7.208 -8.091 -4.679 1.00 0.00 C ATOM 1165 C LYS B 195 7.642 -9.332 -3.897 1.00 0.00 C ATOM 1166 O LYS B 195 7.938 -10.362 -4.474 1.00 0.00 O ATOM 1167 CB LYS B 195 8.359 -7.091 -4.791 1.00 0.00 C ATOM 1168 CG LYS B 195 8.293 -6.383 -6.146 1.00 0.00 C ATOM 1169 CD LYS B 195 8.700 -7.358 -7.252 1.00 0.00 C ATOM 1170 CE LYS B 195 8.023 -6.953 -8.564 1.00 0.00 C ATOM 1171 NZ LYS B 195 6.774 -7.762 -8.617 1.00 0.00 N ATOM 0 H LYS B 195 6.446 -6.549 -3.415 1.00 0.00 H new ATOM 0 HA LYS B 195 6.876 -8.429 -5.660 1.00 0.00 H new ATOM 0 HB2 LYS B 195 8.299 -6.360 -3.984 1.00 0.00 H new ATOM 0 HB3 LYS B 195 9.314 -7.606 -4.685 1.00 0.00 H new ATOM 0 HG2 LYS B 195 7.284 -6.013 -6.326 1.00 0.00 H new ATOM 0 HG3 LYS B 195 8.955 -5.517 -6.148 1.00 0.00 H new ATOM 0 HD2 LYS B 195 9.783 -7.355 -7.373 1.00 0.00 H new ATOM 0 HD3 LYS B 195 8.412 -8.374 -6.980 1.00 0.00 H new ATOM 0 HE2 LYS B 195 7.803 -5.886 -8.582 1.00 0.00 H new ATOM 0 HE3 LYS B 195 8.665 -7.161 -9.420 1.00 0.00 H new ATOM 0 HZ1 LYS B 195 6.253 -7.540 -9.490 1.00 0.00 H new ATOM 0 HZ2 LYS B 195 7.015 -8.774 -8.605 1.00 0.00 H new ATOM 0 HZ3 LYS B 195 6.180 -7.538 -7.793 1.00 0.00 H new ATOM 1185 N LYS B 196 7.671 -9.245 -2.588 1.00 0.00 N ATOM 1186 CA LYS B 196 8.074 -10.429 -1.774 1.00 0.00 C ATOM 1187 C LYS B 196 6.960 -11.484 -1.818 1.00 0.00 C ATOM 1188 O LYS B 196 7.211 -12.669 -1.704 1.00 0.00 O ATOM 1189 CB LYS B 196 8.310 -9.895 -0.348 1.00 0.00 C ATOM 1190 CG LYS B 196 6.991 -9.458 0.299 1.00 0.00 C ATOM 1191 CD LYS B 196 6.436 -10.595 1.159 1.00 0.00 C ATOM 1192 CE LYS B 196 4.953 -10.344 1.441 1.00 0.00 C ATOM 1193 NZ LYS B 196 4.750 -10.785 2.850 1.00 0.00 N ATOM 0 H LYS B 196 7.434 -8.409 -2.053 1.00 0.00 H new ATOM 0 HA LYS B 196 8.975 -10.913 -2.150 1.00 0.00 H new ATOM 0 HB2 LYS B 196 8.779 -10.668 0.261 1.00 0.00 H new ATOM 0 HB3 LYS B 196 9.000 -9.052 -0.381 1.00 0.00 H new ATOM 0 HG2 LYS B 196 7.152 -8.571 0.912 1.00 0.00 H new ATOM 0 HG3 LYS B 196 6.269 -9.187 -0.472 1.00 0.00 H new ATOM 0 HD2 LYS B 196 6.563 -11.549 0.646 1.00 0.00 H new ATOM 0 HD3 LYS B 196 6.989 -10.660 2.096 1.00 0.00 H new ATOM 0 HE2 LYS B 196 4.700 -9.291 1.316 1.00 0.00 H new ATOM 0 HE3 LYS B 196 4.320 -10.907 0.756 1.00 0.00 H new ATOM 0 HZ1 LYS B 196 3.913 -10.310 3.245 1.00 0.00 H new ATOM 0 HZ2 LYS B 196 4.607 -11.815 2.874 1.00 0.00 H new ATOM 0 HZ3 LYS B 196 5.588 -10.538 3.415 1.00 0.00 H new ATOM 1207 N GLN B 197 5.733 -11.055 -1.998 1.00 0.00 N ATOM 1208 CA GLN B 197 4.601 -12.027 -2.068 1.00 0.00 C ATOM 1209 C GLN B 197 4.714 -12.850 -3.354 1.00 0.00 C ATOM 1210 O GLN B 197 4.295 -13.990 -3.409 1.00 0.00 O ATOM 1211 CB GLN B 197 3.332 -11.172 -2.085 1.00 0.00 C ATOM 1212 CG GLN B 197 2.120 -12.052 -1.767 1.00 0.00 C ATOM 1213 CD GLN B 197 0.840 -11.329 -2.187 1.00 0.00 C ATOM 1214 OE1 GLN B 197 0.842 -10.562 -3.129 1.00 0.00 O ATOM 1215 NE2 GLN B 197 -0.264 -11.542 -1.523 1.00 0.00 N ATOM 0 H GLN B 197 5.469 -10.075 -2.099 1.00 0.00 H new ATOM 0 HA GLN B 197 4.599 -12.726 -1.232 1.00 0.00 H new ATOM 0 HB2 GLN B 197 3.413 -10.368 -1.354 1.00 0.00 H new ATOM 0 HB3 GLN B 197 3.209 -10.704 -3.062 1.00 0.00 H new ATOM 0 HG2 GLN B 197 2.201 -13.004 -2.291 1.00 0.00 H new ATOM 0 HG3 GLN B 197 2.090 -12.277 -0.701 1.00 0.00 H new ATOM 0 HE21 GLN B 197 -0.267 -12.186 -0.732 1.00 0.00 H new ATOM 0 HE22 GLN B 197 -1.123 -11.065 -1.796 1.00 0.00 H new ATOM 1224 N GLN B 198 5.288 -12.277 -4.384 1.00 0.00 N ATOM 1225 CA GLN B 198 5.444 -13.022 -5.671 1.00 0.00 C ATOM 1226 C GLN B 198 6.323 -14.252 -5.448 1.00 0.00 C ATOM 1227 O GLN B 198 6.002 -15.345 -5.877 1.00 0.00 O ATOM 1228 CB GLN B 198 6.124 -12.040 -6.639 1.00 0.00 C ATOM 1229 CG GLN B 198 5.302 -11.925 -7.930 1.00 0.00 C ATOM 1230 CD GLN B 198 4.481 -10.632 -7.911 1.00 0.00 C ATOM 1231 OE1 GLN B 198 4.305 -9.996 -8.931 1.00 0.00 O ATOM 1232 NE2 GLN B 198 3.966 -10.215 -6.786 1.00 0.00 N ATOM 0 H GLN B 198 5.655 -11.325 -4.388 1.00 0.00 H new ATOM 0 HA GLN B 198 4.489 -13.369 -6.065 1.00 0.00 H new ATOM 0 HB2 GLN B 198 6.219 -11.061 -6.170 1.00 0.00 H new ATOM 0 HB3 GLN B 198 7.133 -12.383 -6.869 1.00 0.00 H new ATOM 0 HG2 GLN B 198 5.965 -11.933 -8.795 1.00 0.00 H new ATOM 0 HG3 GLN B 198 4.640 -12.785 -8.028 1.00 0.00 H new ATOM 0 HE21 GLN B 198 4.113 -10.748 -5.929 1.00 0.00 H new ATOM 0 HE22 GLN B 198 3.416 -9.356 -6.764 1.00 0.00 H new ATOM 1241 N GLN B 199 7.428 -14.076 -4.772 1.00 0.00 N ATOM 1242 CA GLN B 199 8.340 -15.231 -4.504 1.00 0.00 C ATOM 1243 C GLN B 199 7.609 -16.290 -3.677 1.00 0.00 C ATOM 1244 O GLN B 199 7.803 -17.477 -3.860 1.00 0.00 O ATOM 1245 CB GLN B 199 9.515 -14.648 -3.716 1.00 0.00 C ATOM 1246 CG GLN B 199 10.450 -13.902 -4.670 1.00 0.00 C ATOM 1247 CD GLN B 199 11.627 -13.323 -3.882 1.00 0.00 C ATOM 1248 OE1 GLN B 199 12.729 -13.828 -3.958 1.00 0.00 O ATOM 1249 NE2 GLN B 199 11.437 -12.277 -3.125 1.00 0.00 N ATOM 0 H GLN B 199 7.740 -13.182 -4.393 1.00 0.00 H new ATOM 0 HA GLN B 199 8.675 -15.714 -5.422 1.00 0.00 H new ATOM 0 HB2 GLN B 199 9.149 -13.970 -2.945 1.00 0.00 H new ATOM 0 HB3 GLN B 199 10.057 -15.445 -3.208 1.00 0.00 H new ATOM 0 HG2 GLN B 199 10.814 -14.579 -5.443 1.00 0.00 H new ATOM 0 HG3 GLN B 199 9.909 -13.102 -5.176 1.00 0.00 H new ATOM 0 HE21 GLN B 199 10.511 -11.854 -3.062 1.00 0.00 H new ATOM 0 HE22 GLN B 199 12.215 -11.882 -2.596 1.00 0.00 H new ATOM 1258 N LEU B 200 6.761 -15.865 -2.774 1.00 0.00 N ATOM 1259 CA LEU B 200 6.001 -16.839 -1.938 1.00 0.00 C ATOM 1260 C LEU B 200 4.849 -17.426 -2.754 1.00 0.00 C ATOM 1261 O LEU B 200 4.468 -18.568 -2.576 1.00 0.00 O ATOM 1262 CB LEU B 200 5.468 -16.027 -0.756 1.00 0.00 C ATOM 1263 CG LEU B 200 4.726 -16.952 0.209 1.00 0.00 C ATOM 1264 CD1 LEU B 200 5.715 -17.530 1.224 1.00 0.00 C ATOM 1265 CD2 LEU B 200 3.645 -16.158 0.947 1.00 0.00 C ATOM 0 H LEU B 200 6.563 -14.883 -2.581 1.00 0.00 H new ATOM 0 HA LEU B 200 6.618 -17.672 -1.603 1.00 0.00 H new ATOM 0 HB2 LEU B 200 6.291 -15.532 -0.241 1.00 0.00 H new ATOM 0 HB3 LEU B 200 4.799 -15.244 -1.112 1.00 0.00 H new ATOM 0 HG LEU B 200 4.263 -17.764 -0.351 1.00 0.00 H new ATOM 0 HD11 LEU B 200 5.186 -18.190 1.912 1.00 0.00 H new ATOM 0 HD12 LEU B 200 6.486 -18.095 0.700 1.00 0.00 H new ATOM 0 HD13 LEU B 200 6.178 -16.718 1.784 1.00 0.00 H new ATOM 0 HD21 LEU B 200 3.116 -16.817 1.635 1.00 0.00 H new ATOM 0 HD22 LEU B 200 4.109 -15.346 1.507 1.00 0.00 H new ATOM 0 HD23 LEU B 200 2.940 -15.745 0.225 1.00 0.00 H new ATOM 1277 N GLU B 201 4.302 -16.651 -3.655 1.00 0.00 N ATOM 1278 CA GLU B 201 3.180 -17.155 -4.501 1.00 0.00 C ATOM 1279 C GLU B 201 3.736 -18.018 -5.632 1.00 0.00 C ATOM 1280 O GLU B 201 3.103 -18.954 -6.081 1.00 0.00 O ATOM 1281 CB GLU B 201 2.504 -15.901 -5.062 1.00 0.00 C ATOM 1282 CG GLU B 201 1.279 -15.554 -4.213 1.00 0.00 C ATOM 1283 CD GLU B 201 0.263 -14.796 -5.069 1.00 0.00 C ATOM 1284 OE1 GLU B 201 0.438 -13.601 -5.242 1.00 0.00 O ATOM 1285 OE2 GLU B 201 -0.672 -15.424 -5.539 1.00 0.00 O ATOM 0 H GLU B 201 4.585 -15.689 -3.841 1.00 0.00 H new ATOM 0 HA GLU B 201 2.478 -17.771 -3.939 1.00 0.00 H new ATOM 0 HB2 GLU B 201 3.206 -15.067 -5.063 1.00 0.00 H new ATOM 0 HB3 GLU B 201 2.206 -16.069 -6.097 1.00 0.00 H new ATOM 0 HG2 GLU B 201 0.829 -16.464 -3.816 1.00 0.00 H new ATOM 0 HG3 GLU B 201 1.576 -14.946 -3.358 1.00 0.00 H new