USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=7 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 Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.481 X(o=-0.48,f=-0.16) 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+ 180:sc= 1.21 (180deg=1.21) USER MOD Single : A 84 HIS : no HD1:sc= -0.479 X(o=-0.48,f=0) USER MOD Single : A 85 GLN : amide:sc= -0.189 X(o=-0.19,f=0) USER MOD Single : A 89 GLN : amide:sc= -0.345 X(o=-0.35,f=-0.037) USER MOD Single : B 168 SER OG : rot -21:sc= 0.17 USER MOD Single : B 169 LYS NZ :NH3+ 160:sc= -0.0327 (180deg=-0.71) USER MOD Single : B 174 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 175 ASN : amide:sc= -0.0258 K(o=-0.026,f=-1.7) USER MOD Single : B 176 MET CE :methyl 171:sc= -4.97 (180deg=-5.6!) USER MOD Single : B 184 THR OG1 : rot 76:sc= -1.04! USER MOD Single : B 185 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 188 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.23) USER MOD Single : B 189 GLN : amide:sc= 0 X(o=0,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+ -154:sc= -2.05! (180deg=-2.84!) USER MOD Single : B 197 GLN : amide:sc= -3.66 K(o=-3.7,f=-6.9!) USER MOD Single : B 198 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.06) USER MOD Single : B 199 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 161 N LEU A 62 0.286 -18.466 2.586 1.00 0.00 N ATOM 162 CA LEU A 62 0.080 -17.291 1.684 1.00 0.00 C ATOM 163 C LEU A 62 -1.236 -16.593 2.031 1.00 0.00 C ATOM 164 O LEU A 62 -1.380 -15.398 1.852 1.00 0.00 O ATOM 165 CB LEU A 62 0.022 -17.872 0.269 1.00 0.00 C ATOM 166 CG LEU A 62 0.444 -16.800 -0.738 1.00 0.00 C ATOM 167 CD1 LEU A 62 1.154 -17.463 -1.919 1.00 0.00 C ATOM 168 CD2 LEU A 62 -0.797 -16.059 -1.241 1.00 0.00 C ATOM 0 HA LEU A 62 0.874 -16.551 1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.680 -18.738 0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.988 -18.218 0.047 1.00 0.00 H new ATOM 0 HG LEU A 62 1.120 -16.094 -0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.455 -16.700 -2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.037 -17.994 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.477 -18.168 -2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.499 -15.295 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.472 -16.766 -1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.305 -15.588 -0.400 1.00 0.00 H new ATOM 180 N GLU A 63 -2.195 -17.332 2.530 1.00 0.00 N ATOM 181 CA GLU A 63 -3.508 -16.717 2.895 1.00 0.00 C ATOM 182 C GLU A 63 -3.315 -15.716 4.035 1.00 0.00 C ATOM 183 O GLU A 63 -3.968 -14.690 4.089 1.00 0.00 O ATOM 184 CB GLU A 63 -4.393 -17.881 3.346 1.00 0.00 C ATOM 185 CG GLU A 63 -5.802 -17.364 3.644 1.00 0.00 C ATOM 186 CD GLU A 63 -6.816 -18.486 3.418 1.00 0.00 C ATOM 187 OE1 GLU A 63 -6.815 -19.424 4.196 1.00 0.00 O ATOM 188 OE2 GLU A 63 -7.577 -18.388 2.469 1.00 0.00 O ATOM 0 H GLU A 63 -2.125 -18.335 2.700 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.954 -16.175 2.061 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.431 -18.645 2.570 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.971 -18.350 4.235 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.860 -17.009 4.673 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.033 -16.515 3.000 1.00 0.00 H new ATOM 195 N GLU A 64 -2.421 -16.007 4.943 1.00 0.00 N ATOM 196 CA GLU A 64 -2.172 -15.073 6.082 1.00 0.00 C ATOM 197 C GLU A 64 -1.401 -13.850 5.589 1.00 0.00 C ATOM 198 O GLU A 64 -1.614 -12.743 6.049 1.00 0.00 O ATOM 199 CB GLU A 64 -1.337 -15.872 7.086 1.00 0.00 C ATOM 200 CG GLU A 64 -1.460 -15.238 8.472 1.00 0.00 C ATOM 201 CD GLU A 64 -0.520 -14.035 8.570 1.00 0.00 C ATOM 202 OE1 GLU A 64 0.576 -14.120 8.041 1.00 0.00 O ATOM 203 OE2 GLU A 64 -0.912 -13.049 9.172 1.00 0.00 O ATOM 0 H GLU A 64 -1.851 -16.853 4.945 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.097 -14.710 6.531 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.678 -16.907 7.116 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.293 -15.890 6.774 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.489 -14.924 8.650 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.212 -15.970 9.241 1.00 0.00 H new ATOM 210 N THR A 65 -0.514 -14.045 4.649 1.00 0.00 N ATOM 211 CA THR A 65 0.272 -12.899 4.106 1.00 0.00 C ATOM 212 C THR A 65 -0.635 -12.015 3.249 1.00 0.00 C ATOM 213 O THR A 65 -0.454 -10.814 3.173 1.00 0.00 O ATOM 214 CB THR A 65 1.373 -13.530 3.250 1.00 0.00 C ATOM 215 OG1 THR A 65 2.138 -14.422 4.050 1.00 0.00 O ATOM 216 CG2 THR A 65 2.282 -12.435 2.692 1.00 0.00 C ATOM 0 H THR A 65 -0.300 -14.951 4.233 1.00 0.00 H new ATOM 0 HA THR A 65 0.689 -12.271 4.893 1.00 0.00 H new ATOM 0 HB THR A 65 0.921 -14.078 2.423 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.843 -14.829 3.504 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.065 -12.887 2.083 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.694 -11.752 2.079 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.736 -11.884 3.516 1.00 0.00 H new ATOM 224 N LYS A 66 -1.614 -12.605 2.612 1.00 0.00 N ATOM 225 CA LYS A 66 -2.548 -11.806 1.761 1.00 0.00 C ATOM 226 C LYS A 66 -3.402 -10.892 2.642 1.00 0.00 C ATOM 227 O LYS A 66 -3.834 -9.836 2.218 1.00 0.00 O ATOM 228 CB LYS A 66 -3.425 -12.836 1.045 1.00 0.00 C ATOM 229 CG LYS A 66 -2.690 -13.363 -0.190 1.00 0.00 C ATOM 230 CD LYS A 66 -3.056 -12.510 -1.405 1.00 0.00 C ATOM 231 CE LYS A 66 -1.894 -12.514 -2.401 1.00 0.00 C ATOM 232 NZ LYS A 66 -2.537 -12.587 -3.742 1.00 0.00 N ATOM 0 H LYS A 66 -1.807 -13.606 2.644 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.019 -11.168 1.053 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.662 -13.659 1.719 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.372 -12.382 0.752 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.613 -13.336 -0.024 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.959 -14.404 -0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.956 -12.901 -1.879 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.278 -11.489 -1.093 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.287 -11.614 -2.303 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.233 -13.364 -2.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.803 -12.594 -4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.103 -13.457 -3.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.155 -11.761 -3.876 1.00 0.00 H new ATOM 246 N GLU A 67 -3.645 -11.291 3.866 1.00 0.00 N ATOM 247 CA GLU A 67 -4.469 -10.445 4.784 1.00 0.00 C ATOM 248 C GLU A 67 -3.733 -9.142 5.096 1.00 0.00 C ATOM 249 O GLU A 67 -4.340 -8.098 5.246 1.00 0.00 O ATOM 250 CB GLU A 67 -4.649 -11.281 6.053 1.00 0.00 C ATOM 251 CG GLU A 67 -5.936 -10.860 6.764 1.00 0.00 C ATOM 252 CD GLU A 67 -6.213 -11.815 7.926 1.00 0.00 C ATOM 253 OE1 GLU A 67 -5.265 -12.201 8.590 1.00 0.00 O ATOM 254 OE2 GLU A 67 -7.369 -12.147 8.132 1.00 0.00 O ATOM 0 H GLU A 67 -3.309 -12.166 4.269 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.428 -10.173 4.344 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.691 -12.340 5.800 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.794 -11.145 6.715 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.843 -9.839 7.133 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.771 -10.871 6.064 1.00 0.00 H new ATOM 261 N GLN A 68 -2.429 -9.198 5.188 1.00 0.00 N ATOM 262 CA GLN A 68 -1.643 -7.963 5.484 1.00 0.00 C ATOM 263 C GLN A 68 -1.525 -7.113 4.218 1.00 0.00 C ATOM 264 O GLN A 68 -1.476 -5.899 4.276 1.00 0.00 O ATOM 265 CB GLN A 68 -0.267 -8.459 5.934 1.00 0.00 C ATOM 266 CG GLN A 68 0.610 -7.264 6.313 1.00 0.00 C ATOM 267 CD GLN A 68 0.026 -6.570 7.545 1.00 0.00 C ATOM 268 OE1 GLN A 68 0.319 -6.944 8.663 1.00 0.00 O ATOM 269 NE2 GLN A 68 -0.794 -5.567 7.387 1.00 0.00 N ATOM 0 H GLN A 68 -1.875 -10.046 5.071 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.112 -7.342 6.247 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.372 -9.131 6.786 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.205 -9.030 5.134 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.627 -7.597 6.519 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.666 -6.563 5.480 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -1.040 -5.253 6.448 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.189 -5.098 8.202 1.00 0.00 H new ATOM 278 N ILE A 69 -1.489 -7.749 3.076 1.00 0.00 N ATOM 279 CA ILE A 69 -1.386 -6.990 1.794 1.00 0.00 C ATOM 280 C ILE A 69 -2.750 -6.391 1.442 1.00 0.00 C ATOM 281 O ILE A 69 -2.838 -5.359 0.803 1.00 0.00 O ATOM 282 CB ILE A 69 -0.953 -8.019 0.744 1.00 0.00 C ATOM 283 CG1 ILE A 69 0.387 -8.638 1.152 1.00 0.00 C ATOM 284 CG2 ILE A 69 -0.795 -7.332 -0.615 1.00 0.00 C ATOM 285 CD1 ILE A 69 0.691 -9.836 0.251 1.00 0.00 C ATOM 0 H ILE A 69 -1.527 -8.763 2.976 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.677 -6.165 1.853 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.711 -8.799 0.674 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.182 -7.897 1.070 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.352 -8.953 2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.487 -8.066 -1.360 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.746 -6.890 -0.912 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.039 -6.550 -0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.645 -10.277 0.541 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.099 -10.580 0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.744 -9.507 -0.787 1.00 0.00 H new ATOM 297 N LEU A 70 -3.814 -7.030 1.865 1.00 0.00 N ATOM 298 CA LEU A 70 -5.178 -6.497 1.569 1.00 0.00 C ATOM 299 C LEU A 70 -5.459 -5.283 2.456 1.00 0.00 C ATOM 300 O LEU A 70 -6.126 -4.349 2.053 1.00 0.00 O ATOM 301 CB LEU A 70 -6.139 -7.641 1.899 1.00 0.00 C ATOM 302 CG LEU A 70 -7.574 -7.212 1.589 1.00 0.00 C ATOM 303 CD1 LEU A 70 -7.789 -7.198 0.074 1.00 0.00 C ATOM 304 CD2 LEU A 70 -8.551 -8.198 2.233 1.00 0.00 C ATOM 0 H LEU A 70 -3.795 -7.897 2.402 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.283 -6.173 0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.880 -8.526 1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.049 -7.913 2.951 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.748 -6.213 1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.812 -6.892 -0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.094 -6.496 -0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.615 -8.196 -0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.574 -7.893 2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.376 -9.197 1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.400 -8.207 3.312 1.00 0.00 H new ATOM 316 N LYS A 71 -4.946 -5.290 3.662 1.00 0.00 N ATOM 317 CA LYS A 71 -5.171 -4.135 4.582 1.00 0.00 C ATOM 318 C LYS A 71 -4.460 -2.895 4.038 1.00 0.00 C ATOM 319 O LYS A 71 -4.892 -1.777 4.251 1.00 0.00 O ATOM 320 CB LYS A 71 -4.563 -4.559 5.921 1.00 0.00 C ATOM 321 CG LYS A 71 -5.443 -4.053 7.066 1.00 0.00 C ATOM 322 CD LYS A 71 -6.504 -5.105 7.398 1.00 0.00 C ATOM 323 CE LYS A 71 -7.697 -4.946 6.454 1.00 0.00 C ATOM 324 NZ LYS A 71 -8.886 -5.322 7.268 1.00 0.00 N ATOM 0 H LYS A 71 -4.381 -6.047 4.048 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.227 -3.885 4.683 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.478 -5.645 5.966 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.555 -4.156 6.018 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.832 -3.847 7.945 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.921 -3.115 6.784 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.082 -6.105 7.301 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.829 -4.995 8.433 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.777 -3.922 6.088 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.597 -5.590 5.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.745 -5.238 6.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.785 -6.303 7.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.959 -4.688 8.089 1.00 0.00 H new ATOM 338 N LEU A 72 -3.373 -3.089 3.333 1.00 0.00 N ATOM 339 CA LEU A 72 -2.627 -1.925 2.765 1.00 0.00 C ATOM 340 C LEU A 72 -3.488 -1.208 1.724 1.00 0.00 C ATOM 341 O LEU A 72 -3.385 -0.010 1.540 1.00 0.00 O ATOM 342 CB LEU A 72 -1.382 -2.526 2.108 1.00 0.00 C ATOM 343 CG LEU A 72 -0.266 -2.650 3.147 1.00 0.00 C ATOM 344 CD1 LEU A 72 0.858 -3.525 2.588 1.00 0.00 C ATOM 345 CD2 LEU A 72 0.285 -1.259 3.473 1.00 0.00 C ATOM 0 H LEU A 72 -2.970 -4.003 3.127 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.367 -1.191 3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.615 -3.506 1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.055 -1.896 1.281 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.664 -3.105 4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.653 -3.613 3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.467 -4.516 2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.256 -3.070 1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.080 -1.347 4.213 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.682 -0.803 2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.515 -0.635 3.872 1.00 0.00 H new ATOM 357 N GLU A 73 -4.337 -1.936 1.042 1.00 0.00 N ATOM 358 CA GLU A 73 -5.212 -1.301 0.009 1.00 0.00 C ATOM 359 C GLU A 73 -6.164 -0.304 0.671 1.00 0.00 C ATOM 360 O GLU A 73 -6.429 0.758 0.140 1.00 0.00 O ATOM 361 CB GLU A 73 -5.995 -2.453 -0.625 1.00 0.00 C ATOM 362 CG GLU A 73 -6.157 -2.195 -2.125 1.00 0.00 C ATOM 363 CD GLU A 73 -6.181 -3.529 -2.872 1.00 0.00 C ATOM 364 OE1 GLU A 73 -5.153 -4.186 -2.906 1.00 0.00 O ATOM 365 OE2 GLU A 73 -7.226 -3.873 -3.399 1.00 0.00 O ATOM 0 H GLU A 73 -4.462 -2.942 1.156 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.636 -0.750 -0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.472 -3.395 -0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.973 -2.545 -0.153 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.079 -1.644 -2.313 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.337 -1.577 -2.489 1.00 0.00 H new ATOM 372 N GLU A 74 -6.669 -0.640 1.828 1.00 0.00 N ATOM 373 CA GLU A 74 -7.600 0.289 2.539 1.00 0.00 C ATOM 374 C GLU A 74 -6.808 1.458 3.124 1.00 0.00 C ATOM 375 O GLU A 74 -7.299 2.567 3.220 1.00 0.00 O ATOM 376 CB GLU A 74 -8.232 -0.547 3.655 1.00 0.00 C ATOM 377 CG GLU A 74 -9.652 -0.954 3.254 1.00 0.00 C ATOM 378 CD GLU A 74 -10.252 -1.850 4.339 1.00 0.00 C ATOM 379 OE1 GLU A 74 -9.899 -3.017 4.378 1.00 0.00 O ATOM 380 OE2 GLU A 74 -11.053 -1.353 5.113 1.00 0.00 O ATOM 0 H GLU A 74 -6.478 -1.517 2.313 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.358 0.708 1.877 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.629 -1.435 3.844 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.256 0.025 4.582 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.271 -0.067 3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.635 -1.482 2.300 1.00 0.00 H new ATOM 387 N LYS A 75 -5.581 1.214 3.506 1.00 0.00 N ATOM 388 CA LYS A 75 -4.738 2.304 4.079 1.00 0.00 C ATOM 389 C LYS A 75 -4.248 3.219 2.957 1.00 0.00 C ATOM 390 O LYS A 75 -4.126 4.418 3.130 1.00 0.00 O ATOM 391 CB LYS A 75 -3.561 1.593 4.748 1.00 0.00 C ATOM 392 CG LYS A 75 -2.778 2.592 5.602 1.00 0.00 C ATOM 393 CD LYS A 75 -2.081 1.850 6.744 1.00 0.00 C ATOM 394 CE LYS A 75 -0.787 2.581 7.113 1.00 0.00 C ATOM 395 NZ LYS A 75 -0.502 2.171 8.517 1.00 0.00 N ATOM 0 H LYS A 75 -5.126 0.303 3.445 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.285 2.925 4.788 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.923 0.773 5.369 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.909 1.156 3.992 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.042 3.112 4.989 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.451 3.350 6.003 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.739 1.794 7.611 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.860 0.825 6.445 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.029 2.301 6.446 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.907 3.661 7.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.372 2.632 8.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.293 2.456 9.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.386 1.138 8.560 1.00 0.00 H new ATOM 409 N LEU A 76 -3.976 2.661 1.803 1.00 0.00 N ATOM 410 CA LEU A 76 -3.504 3.494 0.657 1.00 0.00 C ATOM 411 C LEU A 76 -4.678 4.285 0.080 1.00 0.00 C ATOM 412 O LEU A 76 -4.513 5.379 -0.427 1.00 0.00 O ATOM 413 CB LEU A 76 -2.964 2.493 -0.375 1.00 0.00 C ATOM 414 CG LEU A 76 -1.904 3.158 -1.268 1.00 0.00 C ATOM 415 CD1 LEU A 76 -2.513 4.355 -2.003 1.00 0.00 C ATOM 416 CD2 LEU A 76 -0.725 3.632 -0.410 1.00 0.00 C ATOM 0 H LEU A 76 -4.061 1.664 1.606 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.741 4.215 0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.530 1.634 0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.783 2.118 -0.990 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.552 2.430 -1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.754 4.819 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.343 4.017 -2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.876 5.082 -1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.023 4.102 -1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.078 4.353 0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.281 2.778 0.101 1.00 0.00 H new ATOM 428 N LEU A 77 -5.864 3.739 0.163 1.00 0.00 N ATOM 429 CA LEU A 77 -7.063 4.452 -0.368 1.00 0.00 C ATOM 430 C LEU A 77 -7.443 5.595 0.574 1.00 0.00 C ATOM 431 O LEU A 77 -7.894 6.641 0.146 1.00 0.00 O ATOM 432 CB LEU A 77 -8.173 3.401 -0.414 1.00 0.00 C ATOM 433 CG LEU A 77 -9.281 3.868 -1.360 1.00 0.00 C ATOM 434 CD1 LEU A 77 -10.092 2.660 -1.834 1.00 0.00 C ATOM 435 CD2 LEU A 77 -10.202 4.842 -0.622 1.00 0.00 C ATOM 0 H LEU A 77 -6.054 2.826 0.577 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.884 4.888 -1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.770 2.446 -0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.578 3.240 0.585 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.837 4.367 -2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -10.881 2.993 -2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.436 1.965 -2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -10.537 2.160 -0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.992 5.176 -1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.645 4.342 0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.625 5.703 -0.284 1.00 0.00 H new ATOM 447 N ALA A 78 -7.254 5.401 1.854 1.00 0.00 N ATOM 448 CA ALA A 78 -7.594 6.476 2.836 1.00 0.00 C ATOM 449 C ALA A 78 -6.613 7.639 2.688 1.00 0.00 C ATOM 450 O ALA A 78 -6.958 8.786 2.908 1.00 0.00 O ATOM 451 CB ALA A 78 -7.453 5.826 4.214 1.00 0.00 C ATOM 0 H ALA A 78 -6.879 4.545 2.262 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.597 6.875 2.683 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.688 6.558 4.987 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.140 4.983 4.291 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.430 5.473 4.347 1.00 0.00 H new ATOM 457 N LEU A 79 -5.395 7.350 2.311 1.00 0.00 N ATOM 458 CA LEU A 79 -4.381 8.434 2.138 1.00 0.00 C ATOM 459 C LEU A 79 -4.704 9.249 0.884 1.00 0.00 C ATOM 460 O LEU A 79 -4.641 10.464 0.892 1.00 0.00 O ATOM 461 CB LEU A 79 -3.035 7.710 1.982 1.00 0.00 C ATOM 462 CG LEU A 79 -2.218 7.810 3.279 1.00 0.00 C ATOM 463 CD1 LEU A 79 -1.943 9.281 3.611 1.00 0.00 C ATOM 464 CD2 LEU A 79 -2.992 7.162 4.433 1.00 0.00 C ATOM 0 H LEU A 79 -5.057 6.408 2.115 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.367 9.127 2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.205 6.663 1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.473 8.147 1.157 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.271 7.289 3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.363 9.344 4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.381 9.739 2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.888 9.808 3.741 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.407 7.236 5.350 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.944 7.676 4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.176 6.112 4.204 1.00 0.00 H new ATOM 476 N GLN A 80 -5.056 8.586 -0.188 1.00 0.00 N ATOM 477 CA GLN A 80 -5.397 9.316 -1.446 1.00 0.00 C ATOM 478 C GLN A 80 -6.691 10.108 -1.253 1.00 0.00 C ATOM 479 O GLN A 80 -6.896 11.140 -1.865 1.00 0.00 O ATOM 480 CB GLN A 80 -5.583 8.231 -2.508 1.00 0.00 C ATOM 481 CG GLN A 80 -5.547 8.866 -3.900 1.00 0.00 C ATOM 482 CD GLN A 80 -5.035 7.841 -4.915 1.00 0.00 C ATOM 483 OE1 GLN A 80 -5.814 7.190 -5.583 1.00 0.00 O ATOM 484 NE2 GLN A 80 -3.750 7.670 -5.060 1.00 0.00 N ATOM 0 H GLN A 80 -5.122 7.570 -0.246 1.00 0.00 H new ATOM 0 HA GLN A 80 -4.623 10.028 -1.733 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -4.797 7.481 -2.418 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.532 7.717 -2.356 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.543 9.207 -4.182 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -4.900 9.743 -3.895 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.096 8.216 -4.499 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -3.399 6.990 -5.734 1.00 0.00 H new ATOM 493 N GLU A 81 -7.561 9.634 -0.397 1.00 0.00 N ATOM 494 CA GLU A 81 -8.845 10.357 -0.150 1.00 0.00 C ATOM 495 C GLU A 81 -8.571 11.659 0.603 1.00 0.00 C ATOM 496 O GLU A 81 -9.284 12.634 0.454 1.00 0.00 O ATOM 497 CB GLU A 81 -9.687 9.406 0.706 1.00 0.00 C ATOM 498 CG GLU A 81 -10.596 8.574 -0.199 1.00 0.00 C ATOM 499 CD GLU A 81 -11.752 9.443 -0.700 1.00 0.00 C ATOM 500 OE1 GLU A 81 -12.498 9.936 0.130 1.00 0.00 O ATOM 501 OE2 GLU A 81 -11.872 9.600 -1.903 1.00 0.00 O ATOM 0 H GLU A 81 -7.437 8.777 0.142 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.356 10.622 -1.076 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.037 8.752 1.287 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.286 9.974 1.417 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.028 8.184 -1.043 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.984 7.715 0.348 1.00 0.00 H new ATOM 508 N GLU A 82 -7.538 11.681 1.407 1.00 0.00 N ATOM 509 CA GLU A 82 -7.206 12.922 2.171 1.00 0.00 C ATOM 510 C GLU A 82 -6.701 14.000 1.210 1.00 0.00 C ATOM 511 O GLU A 82 -7.118 15.141 1.275 1.00 0.00 O ATOM 512 CB GLU A 82 -6.104 12.513 3.156 1.00 0.00 C ATOM 513 CG GLU A 82 -6.687 12.409 4.568 1.00 0.00 C ATOM 514 CD GLU A 82 -5.561 12.134 5.567 1.00 0.00 C ATOM 515 OE1 GLU A 82 -4.890 11.127 5.410 1.00 0.00 O ATOM 516 OE2 GLU A 82 -5.389 12.936 6.470 1.00 0.00 O ATOM 0 H GLU A 82 -6.910 10.893 1.567 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.071 13.333 2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.673 11.557 2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.297 13.245 3.138 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.201 13.334 4.829 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.427 11.610 4.609 1.00 0.00 H new ATOM 523 N LYS A 83 -5.818 13.643 0.309 1.00 0.00 N ATOM 524 CA LYS A 83 -5.300 14.648 -0.670 1.00 0.00 C ATOM 525 C LYS A 83 -6.455 15.173 -1.527 1.00 0.00 C ATOM 526 O LYS A 83 -6.425 16.290 -2.009 1.00 0.00 O ATOM 527 CB LYS A 83 -4.287 13.892 -1.534 1.00 0.00 C ATOM 528 CG LYS A 83 -3.653 14.854 -2.540 1.00 0.00 C ATOM 529 CD LYS A 83 -2.369 14.237 -3.099 1.00 0.00 C ATOM 530 CE LYS A 83 -2.724 13.166 -4.132 1.00 0.00 C ATOM 531 NZ LYS A 83 -1.706 13.318 -5.208 1.00 0.00 N ATOM 0 H LYS A 83 -5.435 12.703 0.210 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.842 15.507 -0.180 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.516 13.448 -0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.780 13.074 -2.059 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.352 15.062 -3.350 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.431 15.806 -2.058 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.752 15.009 -3.558 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.783 13.798 -2.292 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.690 12.168 -3.694 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.733 13.310 -4.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.883 12.616 -5.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.767 14.275 -5.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.756 13.169 -4.811 1.00 0.00 H new ATOM 545 N HIS A 84 -7.478 14.373 -1.710 1.00 0.00 N ATOM 546 CA HIS A 84 -8.647 14.818 -2.526 1.00 0.00 C ATOM 547 C HIS A 84 -9.311 16.025 -1.863 1.00 0.00 C ATOM 548 O HIS A 84 -9.881 16.872 -2.525 1.00 0.00 O ATOM 549 CB HIS A 84 -9.604 13.624 -2.553 1.00 0.00 C ATOM 550 CG HIS A 84 -10.603 13.806 -3.661 1.00 0.00 C ATOM 551 ND1 HIS A 84 -10.462 13.186 -4.893 1.00 0.00 N ATOM 552 CD2 HIS A 84 -11.764 14.535 -3.739 1.00 0.00 C ATOM 553 CE1 HIS A 84 -11.511 13.550 -5.652 1.00 0.00 C ATOM 554 NE2 HIS A 84 -12.335 14.372 -4.998 1.00 0.00 N ATOM 0 H HIS A 84 -7.552 13.430 -1.328 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.357 15.120 -3.533 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -9.045 12.700 -2.701 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.119 13.535 -1.596 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -12.172 15.142 -2.945 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.668 13.218 -6.668 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -13.198 14.791 -5.346 1.00 0.00 H new ATOM 562 N GLN A 85 -9.238 16.110 -0.557 1.00 0.00 N ATOM 563 CA GLN A 85 -9.860 17.269 0.156 1.00 0.00 C ATOM 564 C GLN A 85 -9.205 18.574 -0.303 1.00 0.00 C ATOM 565 O GLN A 85 -9.875 19.554 -0.566 1.00 0.00 O ATOM 566 CB GLN A 85 -9.590 17.025 1.643 1.00 0.00 C ATOM 567 CG GLN A 85 -10.277 15.730 2.082 1.00 0.00 C ATOM 568 CD GLN A 85 -11.754 16.007 2.369 1.00 0.00 C ATOM 569 OE1 GLN A 85 -12.132 16.229 3.502 1.00 0.00 O ATOM 570 NE2 GLN A 85 -12.609 16.002 1.384 1.00 0.00 N ATOM 0 H GLN A 85 -8.776 15.429 0.045 1.00 0.00 H new ATOM 0 HA GLN A 85 -10.927 17.354 -0.048 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.517 16.958 1.822 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -9.960 17.863 2.233 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.183 14.974 1.303 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.791 15.332 2.973 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.290 15.816 0.433 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -13.596 16.185 1.565 1.00 0.00 H new ATOM 579 N LEU A 86 -7.901 18.584 -0.409 1.00 0.00 N ATOM 580 CA LEU A 86 -7.193 19.820 -0.864 1.00 0.00 C ATOM 581 C LEU A 86 -7.610 20.145 -2.301 1.00 0.00 C ATOM 582 O LEU A 86 -7.701 21.297 -2.684 1.00 0.00 O ATOM 583 CB LEU A 86 -5.696 19.484 -0.798 1.00 0.00 C ATOM 584 CG LEU A 86 -5.047 20.244 0.360 1.00 0.00 C ATOM 585 CD1 LEU A 86 -3.819 19.475 0.851 1.00 0.00 C ATOM 586 CD2 LEU A 86 -4.619 21.634 -0.118 1.00 0.00 C ATOM 0 H LEU A 86 -7.295 17.790 -0.200 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.431 20.687 -0.248 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.560 18.411 -0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.212 19.751 -1.737 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.764 20.344 1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.357 20.017 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.122 18.485 1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.102 19.375 0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.156 22.176 0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.903 21.534 -0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.493 22.183 -0.468 1.00 0.00 H new ATOM 598 N PHE A 87 -7.866 19.135 -3.093 1.00 0.00 N ATOM 599 CA PHE A 87 -8.283 19.374 -4.509 1.00 0.00 C ATOM 600 C PHE A 87 -9.602 20.147 -4.539 1.00 0.00 C ATOM 601 O PHE A 87 -9.826 20.976 -5.401 1.00 0.00 O ATOM 602 CB PHE A 87 -8.462 17.981 -5.123 1.00 0.00 C ATOM 603 CG PHE A 87 -7.233 17.613 -5.919 1.00 0.00 C ATOM 604 CD1 PHE A 87 -6.164 16.957 -5.295 1.00 0.00 C ATOM 605 CD2 PHE A 87 -7.161 17.927 -7.281 1.00 0.00 C ATOM 606 CE1 PHE A 87 -5.024 16.615 -6.033 1.00 0.00 C ATOM 607 CE2 PHE A 87 -6.021 17.585 -8.020 1.00 0.00 C ATOM 608 CZ PHE A 87 -4.953 16.931 -7.396 1.00 0.00 C ATOM 0 H PHE A 87 -7.804 18.154 -2.820 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.550 19.963 -5.060 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.631 17.246 -4.336 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -9.341 17.967 -5.767 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.219 16.715 -4.244 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.985 18.433 -7.763 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.201 16.108 -5.552 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.967 17.826 -9.071 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.073 16.670 -7.965 1.00 0.00 H new ATOM 618 N LEU A 88 -10.470 19.883 -3.597 1.00 0.00 N ATOM 619 CA LEU A 88 -11.779 20.606 -3.558 1.00 0.00 C ATOM 620 C LEU A 88 -11.543 22.105 -3.349 1.00 0.00 C ATOM 621 O LEU A 88 -12.340 22.929 -3.756 1.00 0.00 O ATOM 622 CB LEU A 88 -12.535 20.012 -2.367 1.00 0.00 C ATOM 623 CG LEU A 88 -13.479 18.913 -2.857 1.00 0.00 C ATOM 624 CD1 LEU A 88 -12.739 17.574 -2.870 1.00 0.00 C ATOM 625 CD2 LEU A 88 -14.684 18.820 -1.919 1.00 0.00 C ATOM 0 H LEU A 88 -10.330 19.199 -2.853 1.00 0.00 H new ATOM 0 HA LEU A 88 -12.338 20.494 -4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -11.830 19.604 -1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.101 20.791 -1.857 1.00 0.00 H new ATOM 0 HG LEU A 88 -13.820 19.150 -3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -13.411 16.790 -3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -11.880 17.639 -3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -12.398 17.337 -1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.357 18.037 -2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.343 18.583 -0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.212 19.774 -1.909 1.00 0.00 H new ATOM 637 N GLN A 89 -10.451 22.459 -2.718 1.00 0.00 N ATOM 638 CA GLN A 89 -10.154 23.904 -2.478 1.00 0.00 C ATOM 639 C GLN A 89 -9.028 24.391 -3.404 1.00 0.00 C ATOM 640 O GLN A 89 -8.487 25.461 -3.207 1.00 0.00 O ATOM 641 CB GLN A 89 -9.702 23.978 -1.018 1.00 0.00 C ATOM 642 CG GLN A 89 -10.823 23.478 -0.096 1.00 0.00 C ATOM 643 CD GLN A 89 -10.231 22.590 1.005 1.00 0.00 C ATOM 644 OE1 GLN A 89 -10.837 21.617 1.406 1.00 0.00 O ATOM 645 NE2 GLN A 89 -9.063 22.885 1.513 1.00 0.00 N ATOM 0 H GLN A 89 -9.752 21.809 -2.359 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.021 24.533 -2.678 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.806 23.374 -0.875 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.439 25.004 -0.761 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.346 24.325 0.349 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.558 22.917 -0.673 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.553 23.702 1.177 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.662 22.298 2.245 1.00 0.00 H new ATOM 654 N LEU A 90 -8.671 23.621 -4.407 1.00 0.00 N ATOM 655 CA LEU A 90 -7.576 24.052 -5.335 1.00 0.00 C ATOM 656 C LEU A 90 -7.945 25.381 -6.005 1.00 0.00 C ATOM 657 O LEU A 90 -7.041 26.059 -6.468 1.00 0.00 O ATOM 658 CB LEU A 90 -7.467 22.935 -6.378 1.00 0.00 C ATOM 659 CG LEU A 90 -6.356 23.266 -7.380 1.00 0.00 C ATOM 660 CD1 LEU A 90 -5.004 23.291 -6.663 1.00 0.00 C ATOM 661 CD2 LEU A 90 -6.329 22.200 -8.478 1.00 0.00 C ATOM 662 OXT LEU A 90 -9.122 25.697 -6.043 1.00 0.00 O ATOM 0 H LEU A 90 -9.089 22.716 -4.622 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.632 24.209 -4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.255 21.986 -5.886 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.417 22.818 -6.900 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.548 24.244 -7.822 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.217 23.527 -7.379 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.021 24.049 -5.880 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.810 22.315 -6.219 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.539 22.433 -9.192 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.139 21.224 -8.033 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.290 22.183 -8.992 1.00 0.00 H new ATOM 675 N GLY B 166 -9.463 27.641 -4.223 1.00 0.00 N ATOM 676 CA GLY B 166 -8.040 27.980 -4.507 1.00 0.00 C ATOM 677 C GLY B 166 -7.679 29.294 -3.814 1.00 0.00 C ATOM 678 O GLY B 166 -8.520 29.946 -3.224 1.00 0.00 O ATOM 0 HA2 GLY B 166 -7.388 27.180 -4.156 1.00 0.00 H new ATOM 0 HA3 GLY B 166 -7.884 28.069 -5.582 1.00 0.00 H new ATOM 684 N LEU B 167 -6.431 29.683 -3.880 1.00 0.00 N ATOM 685 CA LEU B 167 -6.000 30.954 -3.224 1.00 0.00 C ATOM 686 C LEU B 167 -4.992 31.700 -4.108 1.00 0.00 C ATOM 687 O LEU B 167 -5.104 32.895 -4.309 1.00 0.00 O ATOM 688 CB LEU B 167 -5.369 30.545 -1.879 1.00 0.00 C ATOM 689 CG LEU B 167 -4.294 29.461 -2.070 1.00 0.00 C ATOM 690 CD1 LEU B 167 -2.917 30.114 -2.177 1.00 0.00 C ATOM 691 CD2 LEU B 167 -4.319 28.508 -0.876 1.00 0.00 C ATOM 0 H LEU B 167 -5.690 29.173 -4.361 1.00 0.00 H new ATOM 0 HA LEU B 167 -6.839 31.633 -3.070 1.00 0.00 H new ATOM 0 HB2 LEU B 167 -4.926 31.419 -1.403 1.00 0.00 H new ATOM 0 HB3 LEU B 167 -6.145 30.176 -1.209 1.00 0.00 H new ATOM 0 HG LEU B 167 -4.498 28.905 -2.985 1.00 0.00 H new ATOM 0 HD11 LEU B 167 -2.158 29.343 -2.312 1.00 0.00 H new ATOM 0 HD12 LEU B 167 -2.901 30.792 -3.030 1.00 0.00 H new ATOM 0 HD13 LEU B 167 -2.708 30.673 -1.265 1.00 0.00 H new ATOM 0 HD21 LEU B 167 -3.558 27.739 -1.009 1.00 0.00 H new ATOM 0 HD22 LEU B 167 -4.116 29.065 0.039 1.00 0.00 H new ATOM 0 HD23 LEU B 167 -5.301 28.039 -0.805 1.00 0.00 H new ATOM 703 N SER B 168 -4.012 31.009 -4.639 1.00 0.00 N ATOM 704 CA SER B 168 -3.001 31.685 -5.511 1.00 0.00 C ATOM 705 C SER B 168 -2.371 30.700 -6.510 1.00 0.00 C ATOM 706 O SER B 168 -1.362 31.001 -7.120 1.00 0.00 O ATOM 707 CB SER B 168 -1.941 32.208 -4.543 1.00 0.00 C ATOM 708 OG SER B 168 -2.558 33.057 -3.584 1.00 0.00 O ATOM 0 H SER B 168 -3.869 30.008 -4.506 1.00 0.00 H new ATOM 0 HA SER B 168 -3.453 32.476 -6.109 1.00 0.00 H new ATOM 0 HB2 SER B 168 -1.446 31.375 -4.043 1.00 0.00 H new ATOM 0 HB3 SER B 168 -1.172 32.755 -5.089 1.00 0.00 H new ATOM 0 HG SER B 168 -3.413 33.381 -3.936 1.00 0.00 H new ATOM 714 N LYS B 169 -2.949 29.530 -6.687 1.00 0.00 N ATOM 715 CA LYS B 169 -2.379 28.526 -7.645 1.00 0.00 C ATOM 716 C LYS B 169 -0.875 28.331 -7.408 1.00 0.00 C ATOM 717 O LYS B 169 -0.137 27.968 -8.304 1.00 0.00 O ATOM 718 CB LYS B 169 -2.634 29.106 -9.037 1.00 0.00 C ATOM 719 CG LYS B 169 -2.510 27.995 -10.085 1.00 0.00 C ATOM 720 CD LYS B 169 -3.628 26.969 -9.883 1.00 0.00 C ATOM 721 CE LYS B 169 -3.719 26.059 -11.110 1.00 0.00 C ATOM 722 NZ LYS B 169 -2.399 25.374 -11.183 1.00 0.00 N ATOM 0 H LYS B 169 -3.796 29.228 -6.205 1.00 0.00 H new ATOM 0 HA LYS B 169 -2.840 27.546 -7.520 1.00 0.00 H new ATOM 0 HB2 LYS B 169 -3.628 29.552 -9.080 1.00 0.00 H new ATOM 0 HB3 LYS B 169 -1.919 29.901 -9.248 1.00 0.00 H new ATOM 0 HG2 LYS B 169 -2.569 28.419 -11.087 1.00 0.00 H new ATOM 0 HG3 LYS B 169 -1.538 27.509 -10.001 1.00 0.00 H new ATOM 0 HD2 LYS B 169 -3.432 26.374 -8.991 1.00 0.00 H new ATOM 0 HD3 LYS B 169 -4.578 27.479 -9.725 1.00 0.00 H new ATOM 0 HE2 LYS B 169 -4.531 25.340 -11.008 1.00 0.00 H new ATOM 0 HE3 LYS B 169 -3.915 26.635 -12.014 1.00 0.00 H new ATOM 0 HZ1 LYS B 169 -2.486 24.513 -11.760 1.00 0.00 H new ATOM 0 HZ2 LYS B 169 -1.700 26.012 -11.615 1.00 0.00 H new ATOM 0 HZ3 LYS B 169 -2.087 25.118 -10.224 1.00 0.00 H new ATOM 736 N GLU B 170 -0.428 28.569 -6.203 1.00 0.00 N ATOM 737 CA GLU B 170 1.019 28.401 -5.887 1.00 0.00 C ATOM 738 C GLU B 170 1.186 28.037 -4.415 1.00 0.00 C ATOM 739 O GLU B 170 1.896 27.109 -4.074 1.00 0.00 O ATOM 740 CB GLU B 170 1.655 29.759 -6.185 1.00 0.00 C ATOM 741 CG GLU B 170 3.131 29.567 -6.537 1.00 0.00 C ATOM 742 CD GLU B 170 3.577 30.672 -7.496 1.00 0.00 C ATOM 743 OE1 GLU B 170 2.825 30.977 -8.407 1.00 0.00 O ATOM 744 OE2 GLU B 170 4.663 31.194 -7.304 1.00 0.00 O ATOM 0 H GLU B 170 -1.007 28.874 -5.421 1.00 0.00 H new ATOM 0 HA GLU B 170 1.484 27.605 -6.469 1.00 0.00 H new ATOM 0 HB2 GLU B 170 1.134 30.243 -7.011 1.00 0.00 H new ATOM 0 HB3 GLU B 170 1.559 30.415 -5.320 1.00 0.00 H new ATOM 0 HG2 GLU B 170 3.737 29.591 -5.632 1.00 0.00 H new ATOM 0 HG3 GLU B 170 3.282 28.590 -6.996 1.00 0.00 H new ATOM 751 N GLU B 171 0.524 28.752 -3.541 1.00 0.00 N ATOM 752 CA GLU B 171 0.629 28.440 -2.089 1.00 0.00 C ATOM 753 C GLU B 171 -0.166 27.170 -1.795 1.00 0.00 C ATOM 754 O GLU B 171 0.220 26.357 -0.976 1.00 0.00 O ATOM 755 CB GLU B 171 0.032 29.649 -1.359 1.00 0.00 C ATOM 756 CG GLU B 171 1.142 30.410 -0.627 1.00 0.00 C ATOM 757 CD GLU B 171 1.506 29.669 0.661 1.00 0.00 C ATOM 758 OE1 GLU B 171 0.722 29.722 1.594 1.00 0.00 O ATOM 759 OE2 GLU B 171 2.564 29.061 0.692 1.00 0.00 O ATOM 0 H GLU B 171 -0.084 29.538 -3.773 1.00 0.00 H new ATOM 0 HA GLU B 171 1.656 28.266 -1.768 1.00 0.00 H new ATOM 0 HB2 GLU B 171 -0.465 30.307 -2.072 1.00 0.00 H new ATOM 0 HB3 GLU B 171 -0.726 29.319 -0.648 1.00 0.00 H new ATOM 0 HG2 GLU B 171 2.019 30.500 -1.268 1.00 0.00 H new ATOM 0 HG3 GLU B 171 0.811 31.423 -0.395 1.00 0.00 H new ATOM 766 N LEU B 172 -1.264 26.988 -2.480 1.00 0.00 N ATOM 767 CA LEU B 172 -2.086 25.761 -2.275 1.00 0.00 C ATOM 768 C LEU B 172 -1.417 24.585 -2.988 1.00 0.00 C ATOM 769 O LEU B 172 -1.528 23.448 -2.568 1.00 0.00 O ATOM 770 CB LEU B 172 -3.445 26.072 -2.905 1.00 0.00 C ATOM 771 CG LEU B 172 -4.558 25.502 -2.027 1.00 0.00 C ATOM 772 CD1 LEU B 172 -5.908 26.039 -2.502 1.00 0.00 C ATOM 773 CD2 LEU B 172 -4.555 23.974 -2.129 1.00 0.00 C ATOM 0 H LEU B 172 -1.628 27.640 -3.175 1.00 0.00 H new ATOM 0 HA LEU B 172 -2.190 25.495 -1.223 1.00 0.00 H new ATOM 0 HB2 LEU B 172 -3.569 27.149 -3.014 1.00 0.00 H new ATOM 0 HB3 LEU B 172 -3.501 25.642 -3.905 1.00 0.00 H new ATOM 0 HG LEU B 172 -4.392 25.799 -0.992 1.00 0.00 H new ATOM 0 HD11 LEU B 172 -6.702 25.632 -1.876 1.00 0.00 H new ATOM 0 HD12 LEU B 172 -5.912 27.127 -2.432 1.00 0.00 H new ATOM 0 HD13 LEU B 172 -6.074 25.741 -3.537 1.00 0.00 H new ATOM 0 HD21 LEU B 172 -5.349 23.566 -1.503 1.00 0.00 H new ATOM 0 HD22 LEU B 172 -4.721 23.678 -3.165 1.00 0.00 H new ATOM 0 HD23 LEU B 172 -3.593 23.589 -1.792 1.00 0.00 H new ATOM 785 N ILE B 173 -0.711 24.859 -4.057 1.00 0.00 N ATOM 786 CA ILE B 173 -0.016 23.768 -4.801 1.00 0.00 C ATOM 787 C ILE B 173 1.141 23.233 -3.953 1.00 0.00 C ATOM 788 O ILE B 173 1.499 22.073 -4.038 1.00 0.00 O ATOM 789 CB ILE B 173 0.515 24.417 -6.086 1.00 0.00 C ATOM 790 CG1 ILE B 173 -0.645 25.041 -6.886 1.00 0.00 C ATOM 791 CG2 ILE B 173 1.219 23.360 -6.943 1.00 0.00 C ATOM 792 CD1 ILE B 173 -1.673 23.968 -7.265 1.00 0.00 C ATOM 0 H ILE B 173 -0.587 25.794 -4.446 1.00 0.00 H new ATOM 0 HA ILE B 173 -0.678 22.931 -5.025 1.00 0.00 H new ATOM 0 HB ILE B 173 1.223 25.201 -5.819 1.00 0.00 H new ATOM 0 HG12 ILE B 173 -1.125 25.820 -6.294 1.00 0.00 H new ATOM 0 HG13 ILE B 173 -0.259 25.517 -7.787 1.00 0.00 H new ATOM 0 HG21 ILE B 173 1.595 23.823 -7.855 1.00 0.00 H new ATOM 0 HG22 ILE B 173 2.051 22.933 -6.383 1.00 0.00 H new ATOM 0 HG23 ILE B 173 0.512 22.571 -7.201 1.00 0.00 H new ATOM 0 HD11 ILE B 173 -2.485 24.426 -7.829 1.00 0.00 H new ATOM 0 HD12 ILE B 173 -1.193 23.203 -7.876 1.00 0.00 H new ATOM 0 HD13 ILE B 173 -2.073 23.511 -6.360 1.00 0.00 H new ATOM 804 N GLN B 174 1.721 24.073 -3.132 1.00 0.00 N ATOM 805 CA GLN B 174 2.854 23.623 -2.269 1.00 0.00 C ATOM 806 C GLN B 174 2.324 22.752 -1.128 1.00 0.00 C ATOM 807 O GLN B 174 2.991 21.845 -0.667 1.00 0.00 O ATOM 808 CB GLN B 174 3.478 24.906 -1.717 1.00 0.00 C ATOM 809 CG GLN B 174 4.667 25.313 -2.590 1.00 0.00 C ATOM 810 CD GLN B 174 5.630 26.174 -1.771 1.00 0.00 C ATOM 811 OE1 GLN B 174 6.789 25.841 -1.626 1.00 0.00 O ATOM 812 NE2 GLN B 174 5.197 27.277 -1.225 1.00 0.00 N ATOM 0 H GLN B 174 1.458 25.052 -3.023 1.00 0.00 H new ATOM 0 HA GLN B 174 3.581 23.027 -2.821 1.00 0.00 H new ATOM 0 HB2 GLN B 174 2.737 25.705 -1.699 1.00 0.00 H new ATOM 0 HB3 GLN B 174 3.805 24.751 -0.689 1.00 0.00 H new ATOM 0 HG2 GLN B 174 5.181 24.426 -2.960 1.00 0.00 H new ATOM 0 HG3 GLN B 174 4.319 25.867 -3.462 1.00 0.00 H new ATOM 0 HE21 GLN B 174 4.224 27.558 -1.346 1.00 0.00 H new ATOM 0 HE22 GLN B 174 5.832 27.858 -0.677 1.00 0.00 H new ATOM 821 N ASN B 175 1.124 23.020 -0.678 1.00 0.00 N ATOM 822 CA ASN B 175 0.537 22.208 0.431 1.00 0.00 C ATOM 823 C ASN B 175 0.108 20.839 -0.099 1.00 0.00 C ATOM 824 O ASN B 175 0.174 19.846 0.600 1.00 0.00 O ATOM 825 CB ASN B 175 -0.678 23.003 0.914 1.00 0.00 C ATOM 826 CG ASN B 175 -0.209 24.299 1.579 1.00 0.00 C ATOM 827 OD1 ASN B 175 0.839 24.335 2.193 1.00 0.00 O ATOM 828 ND2 ASN B 175 -0.946 25.371 1.483 1.00 0.00 N ATOM 0 H ASN B 175 0.525 23.766 -1.031 1.00 0.00 H new ATOM 0 HA ASN B 175 1.249 22.033 1.238 1.00 0.00 H new ATOM 0 HB2 ASN B 175 -1.335 23.230 0.074 1.00 0.00 H new ATOM 0 HB3 ASN B 175 -1.258 22.408 1.620 1.00 0.00 H new ATOM 0 HD21 ASN B 175 -0.643 26.240 1.923 1.00 0.00 H new ATOM 0 HD22 ASN B 175 -1.826 25.341 0.968 1.00 0.00 H new ATOM 835 N MET B 176 -0.320 20.784 -1.332 1.00 0.00 N ATOM 836 CA MET B 176 -0.747 19.480 -1.925 1.00 0.00 C ATOM 837 C MET B 176 0.480 18.602 -2.183 1.00 0.00 C ATOM 838 O MET B 176 0.406 17.388 -2.146 1.00 0.00 O ATOM 839 CB MET B 176 -1.441 19.840 -3.245 1.00 0.00 C ATOM 840 CG MET B 176 -2.957 19.672 -3.097 1.00 0.00 C ATOM 841 SD MET B 176 -3.669 19.157 -4.679 1.00 0.00 S ATOM 842 CE MET B 176 -5.039 20.339 -4.703 1.00 0.00 C ATOM 0 H MET B 176 -0.393 21.587 -1.957 1.00 0.00 H new ATOM 0 HA MET B 176 -1.411 18.922 -1.264 1.00 0.00 H new ATOM 0 HB2 MET B 176 -1.205 20.867 -3.522 1.00 0.00 H new ATOM 0 HB3 MET B 176 -1.072 19.201 -4.047 1.00 0.00 H new ATOM 0 HG2 MET B 176 -3.177 18.931 -2.329 1.00 0.00 H new ATOM 0 HG3 MET B 176 -3.407 20.610 -2.773 1.00 0.00 H new ATOM 0 HE1 MET B 176 -5.528 20.309 -5.677 1.00 0.00 H new ATOM 0 HE2 MET B 176 -5.759 20.078 -3.927 1.00 0.00 H new ATOM 0 HE3 MET B 176 -4.657 21.343 -4.519 1.00 0.00 H new ATOM 852 N ASP B 177 1.609 19.212 -2.442 1.00 0.00 N ATOM 853 CA ASP B 177 2.852 18.423 -2.702 1.00 0.00 C ATOM 854 C ASP B 177 3.329 17.755 -1.411 1.00 0.00 C ATOM 855 O ASP B 177 3.933 16.700 -1.436 1.00 0.00 O ATOM 856 CB ASP B 177 3.883 19.443 -3.191 1.00 0.00 C ATOM 857 CG ASP B 177 5.147 18.712 -3.649 1.00 0.00 C ATOM 858 OD1 ASP B 177 5.205 18.342 -4.810 1.00 0.00 O ATOM 859 OD2 ASP B 177 6.035 18.534 -2.832 1.00 0.00 O ATOM 0 H ASP B 177 1.724 20.225 -2.485 1.00 0.00 H new ATOM 0 HA ASP B 177 2.691 17.630 -3.433 1.00 0.00 H new ATOM 0 HB2 ASP B 177 3.470 20.028 -4.013 1.00 0.00 H new ATOM 0 HB3 ASP B 177 4.125 20.143 -2.392 1.00 0.00 H new ATOM 864 N ARG B 178 3.057 18.365 -0.285 1.00 0.00 N ATOM 865 CA ARG B 178 3.489 17.769 1.016 1.00 0.00 C ATOM 866 C ARG B 178 2.617 16.559 1.350 1.00 0.00 C ATOM 867 O ARG B 178 3.087 15.570 1.881 1.00 0.00 O ATOM 868 CB ARG B 178 3.296 18.876 2.054 1.00 0.00 C ATOM 869 CG ARG B 178 4.430 19.898 1.934 1.00 0.00 C ATOM 870 CD ARG B 178 4.825 20.394 3.327 1.00 0.00 C ATOM 871 NE ARG B 178 3.694 21.259 3.762 1.00 0.00 N ATOM 872 CZ ARG B 178 3.927 22.331 4.468 1.00 0.00 C ATOM 873 NH1 ARG B 178 4.750 22.280 5.479 1.00 0.00 N ATOM 874 NH2 ARG B 178 3.337 23.455 4.163 1.00 0.00 N ATOM 0 H ARG B 178 2.555 19.250 -0.210 1.00 0.00 H new ATOM 0 HA ARG B 178 4.522 17.422 0.988 1.00 0.00 H new ATOM 0 HB2 ARG B 178 2.334 19.366 1.903 1.00 0.00 H new ATOM 0 HB3 ARG B 178 3.282 18.449 3.057 1.00 0.00 H new ATOM 0 HG2 ARG B 178 5.290 19.445 1.441 1.00 0.00 H new ATOM 0 HG3 ARG B 178 4.113 20.737 1.315 1.00 0.00 H new ATOM 0 HD2 ARG B 178 4.973 19.562 4.015 1.00 0.00 H new ATOM 0 HD3 ARG B 178 5.760 20.953 3.297 1.00 0.00 H new ATOM 0 HE ARG B 178 2.737 21.013 3.508 1.00 0.00 H new ATOM 0 HH11 ARG B 178 5.211 21.402 5.717 1.00 0.00 H new ATOM 0 HH12 ARG B 178 4.932 23.118 6.031 1.00 0.00 H new ATOM 0 HH21 ARG B 178 2.694 23.495 3.373 1.00 0.00 H new ATOM 0 HH22 ARG B 178 3.519 24.293 4.715 1.00 0.00 H new ATOM 888 N VAL B 179 1.351 16.632 1.035 1.00 0.00 N ATOM 889 CA VAL B 179 0.435 15.486 1.321 1.00 0.00 C ATOM 890 C VAL B 179 0.713 14.352 0.333 1.00 0.00 C ATOM 891 O VAL B 179 0.566 13.188 0.654 1.00 0.00 O ATOM 892 CB VAL B 179 -0.982 16.040 1.131 1.00 0.00 C ATOM 893 CG1 VAL B 179 -2.008 14.939 1.410 1.00 0.00 C ATOM 894 CG2 VAL B 179 -1.213 17.202 2.102 1.00 0.00 C ATOM 0 H VAL B 179 0.910 17.437 0.591 1.00 0.00 H new ATOM 0 HA VAL B 179 0.570 15.082 2.324 1.00 0.00 H new ATOM 0 HB VAL B 179 -1.094 16.391 0.105 1.00 0.00 H new ATOM 0 HG11 VAL B 179 -3.014 15.336 1.274 1.00 0.00 H new ATOM 0 HG12 VAL B 179 -1.849 14.110 0.720 1.00 0.00 H new ATOM 0 HG13 VAL B 179 -1.893 14.586 2.435 1.00 0.00 H new ATOM 0 HG21 VAL B 179 -2.221 17.595 1.966 1.00 0.00 H new ATOM 0 HG22 VAL B 179 -1.097 16.849 3.127 1.00 0.00 H new ATOM 0 HG23 VAL B 179 -0.486 17.990 1.905 1.00 0.00 H new ATOM 904 N ASP B 180 1.120 14.689 -0.863 1.00 0.00 N ATOM 905 CA ASP B 180 1.421 13.639 -1.881 1.00 0.00 C ATOM 906 C ASP B 180 2.719 12.916 -1.516 1.00 0.00 C ATOM 907 O ASP B 180 2.903 11.755 -1.831 1.00 0.00 O ATOM 908 CB ASP B 180 1.578 14.391 -3.205 1.00 0.00 C ATOM 909 CG ASP B 180 1.756 13.386 -4.344 1.00 0.00 C ATOM 910 OD1 ASP B 180 0.892 12.541 -4.505 1.00 0.00 O ATOM 911 OD2 ASP B 180 2.757 13.478 -5.038 1.00 0.00 O ATOM 0 H ASP B 180 1.257 15.649 -1.179 1.00 0.00 H new ATOM 0 HA ASP B 180 0.637 12.884 -1.939 1.00 0.00 H new ATOM 0 HB2 ASP B 180 0.702 15.013 -3.388 1.00 0.00 H new ATOM 0 HB3 ASP B 180 2.438 15.058 -3.157 1.00 0.00 H new ATOM 916 N ARG B 181 3.618 13.597 -0.851 1.00 0.00 N ATOM 917 CA ARG B 181 4.909 12.955 -0.455 1.00 0.00 C ATOM 918 C ARG B 181 4.658 11.901 0.626 1.00 0.00 C ATOM 919 O ARG B 181 5.347 10.901 0.698 1.00 0.00 O ATOM 920 CB ARG B 181 5.774 14.093 0.095 1.00 0.00 C ATOM 921 CG ARG B 181 7.232 13.866 -0.312 1.00 0.00 C ATOM 922 CD ARG B 181 7.367 14.002 -1.830 1.00 0.00 C ATOM 923 NE ARG B 181 8.814 14.254 -2.067 1.00 0.00 N ATOM 924 CZ ARG B 181 9.489 13.476 -2.869 1.00 0.00 C ATOM 925 NH1 ARG B 181 9.536 12.192 -2.646 1.00 0.00 N ATOM 926 NH2 ARG B 181 10.117 13.984 -3.895 1.00 0.00 N ATOM 0 H ARG B 181 3.514 14.571 -0.565 1.00 0.00 H new ATOM 0 HA ARG B 181 5.392 12.450 -1.291 1.00 0.00 H new ATOM 0 HB2 ARG B 181 5.422 15.050 -0.290 1.00 0.00 H new ATOM 0 HB3 ARG B 181 5.691 14.136 1.181 1.00 0.00 H new ATOM 0 HG2 ARG B 181 7.877 14.590 0.187 1.00 0.00 H new ATOM 0 HG3 ARG B 181 7.559 12.876 0.005 1.00 0.00 H new ATOM 0 HD2 ARG B 181 7.036 13.097 -2.338 1.00 0.00 H new ATOM 0 HD3 ARG B 181 6.756 14.822 -2.209 1.00 0.00 H new ATOM 0 HE ARG B 181 9.279 15.035 -1.603 1.00 0.00 H new ATOM 0 HH11 ARG B 181 9.045 11.795 -1.845 1.00 0.00 H new ATOM 0 HH12 ARG B 181 10.064 11.584 -3.273 1.00 0.00 H new ATOM 0 HH21 ARG B 181 10.080 14.988 -4.069 1.00 0.00 H new ATOM 0 HH22 ARG B 181 10.645 13.377 -4.522 1.00 0.00 H new ATOM 940 N GLU B 182 3.674 12.119 1.461 1.00 0.00 N ATOM 941 CA GLU B 182 3.369 11.129 2.539 1.00 0.00 C ATOM 942 C GLU B 182 2.714 9.886 1.935 1.00 0.00 C ATOM 943 O GLU B 182 2.938 8.777 2.385 1.00 0.00 O ATOM 944 CB GLU B 182 2.399 11.845 3.482 1.00 0.00 C ATOM 945 CG GLU B 182 2.347 11.105 4.820 1.00 0.00 C ATOM 946 CD GLU B 182 3.694 11.241 5.532 1.00 0.00 C ATOM 947 OE1 GLU B 182 3.881 12.231 6.219 1.00 0.00 O ATOM 948 OE2 GLU B 182 4.516 10.352 5.377 1.00 0.00 O ATOM 0 H GLU B 182 3.068 12.940 1.443 1.00 0.00 H new ATOM 0 HA GLU B 182 4.266 10.797 3.062 1.00 0.00 H new ATOM 0 HB2 GLU B 182 2.719 12.875 3.637 1.00 0.00 H new ATOM 0 HB3 GLU B 182 1.405 11.884 3.037 1.00 0.00 H new ATOM 0 HG2 GLU B 182 1.552 11.514 5.443 1.00 0.00 H new ATOM 0 HG3 GLU B 182 2.115 10.053 4.657 1.00 0.00 H new ATOM 955 N ILE B 183 1.915 10.067 0.917 1.00 0.00 N ATOM 956 CA ILE B 183 1.246 8.898 0.269 1.00 0.00 C ATOM 957 C ILE B 183 2.289 8.056 -0.470 1.00 0.00 C ATOM 958 O ILE B 183 2.154 6.853 -0.597 1.00 0.00 O ATOM 959 CB ILE B 183 0.234 9.498 -0.715 1.00 0.00 C ATOM 960 CG1 ILE B 183 -0.766 10.373 0.047 1.00 0.00 C ATOM 961 CG2 ILE B 183 -0.522 8.372 -1.425 1.00 0.00 C ATOM 962 CD1 ILE B 183 -1.660 11.112 -0.951 1.00 0.00 C ATOM 0 H ILE B 183 1.696 10.974 0.505 1.00 0.00 H new ATOM 0 HA ILE B 183 0.755 8.246 0.992 1.00 0.00 H new ATOM 0 HB ILE B 183 0.764 10.103 -1.450 1.00 0.00 H new ATOM 0 HG12 ILE B 183 -1.374 9.757 0.709 1.00 0.00 H new ATOM 0 HG13 ILE B 183 -0.235 11.088 0.675 1.00 0.00 H new ATOM 0 HG21 ILE B 183 -1.241 8.800 -2.124 1.00 0.00 H new ATOM 0 HG22 ILE B 183 0.185 7.746 -1.970 1.00 0.00 H new ATOM 0 HG23 ILE B 183 -1.049 7.767 -0.688 1.00 0.00 H new ATOM 0 HD11 ILE B 183 -2.372 11.735 -0.410 1.00 0.00 H new ATOM 0 HD12 ILE B 183 -1.045 11.740 -1.595 1.00 0.00 H new ATOM 0 HD13 ILE B 183 -2.201 10.388 -1.560 1.00 0.00 H new ATOM 974 N THR B 184 3.331 8.685 -0.953 1.00 0.00 N ATOM 975 CA THR B 184 4.396 7.930 -1.681 1.00 0.00 C ATOM 976 C THR B 184 5.108 6.978 -0.717 1.00 0.00 C ATOM 977 O THR B 184 5.569 5.921 -1.105 1.00 0.00 O ATOM 978 CB THR B 184 5.366 8.994 -2.198 1.00 0.00 C ATOM 979 OG1 THR B 184 4.647 10.182 -2.498 1.00 0.00 O ATOM 980 CG2 THR B 184 6.063 8.484 -3.459 1.00 0.00 C ATOM 0 H THR B 184 3.490 9.689 -0.874 1.00 0.00 H new ATOM 0 HA THR B 184 3.992 7.326 -2.494 1.00 0.00 H new ATOM 0 HB THR B 184 6.114 9.205 -1.434 1.00 0.00 H new ATOM 0 HG1 THR B 184 4.420 10.646 -1.665 1.00 0.00 H new ATOM 0 HG21 THR B 184 6.753 9.244 -3.826 1.00 0.00 H new ATOM 0 HG22 THR B 184 6.615 7.573 -3.227 1.00 0.00 H new ATOM 0 HG23 THR B 184 5.318 8.271 -4.226 1.00 0.00 H new ATOM 988 N MET B 185 5.194 7.347 0.536 1.00 0.00 N ATOM 989 CA MET B 185 5.872 6.465 1.535 1.00 0.00 C ATOM 990 C MET B 185 5.040 5.201 1.761 1.00 0.00 C ATOM 991 O MET B 185 5.546 4.096 1.693 1.00 0.00 O ATOM 992 CB MET B 185 5.951 7.292 2.821 1.00 0.00 C ATOM 993 CG MET B 185 7.354 7.885 2.966 1.00 0.00 C ATOM 994 SD MET B 185 7.471 8.782 4.533 1.00 0.00 S ATOM 995 CE MET B 185 8.575 10.097 3.962 1.00 0.00 C ATOM 0 H MET B 185 4.824 8.221 0.911 1.00 0.00 H new ATOM 0 HA MET B 185 6.860 6.147 1.201 1.00 0.00 H new ATOM 0 HB2 MET B 185 5.209 8.090 2.798 1.00 0.00 H new ATOM 0 HB3 MET B 185 5.719 6.666 3.683 1.00 0.00 H new ATOM 0 HG2 MET B 185 8.101 7.092 2.932 1.00 0.00 H new ATOM 0 HG3 MET B 185 7.564 8.557 2.134 1.00 0.00 H new ATOM 0 HE1 MET B 185 8.784 10.780 4.786 1.00 0.00 H new ATOM 0 HE2 MET B 185 9.508 9.660 3.607 1.00 0.00 H new ATOM 0 HE3 MET B 185 8.099 10.645 3.149 1.00 0.00 H new ATOM 1005 N VAL B 186 3.767 5.357 2.022 1.00 0.00 N ATOM 1006 CA VAL B 186 2.892 4.166 2.245 1.00 0.00 C ATOM 1007 C VAL B 186 2.738 3.391 0.935 1.00 0.00 C ATOM 1008 O VAL B 186 2.589 2.183 0.932 1.00 0.00 O ATOM 1009 CB VAL B 186 1.543 4.728 2.707 1.00 0.00 C ATOM 1010 CG1 VAL B 186 0.570 3.576 2.977 1.00 0.00 C ATOM 1011 CG2 VAL B 186 1.736 5.536 3.993 1.00 0.00 C ATOM 0 H VAL B 186 3.295 6.259 2.090 1.00 0.00 H new ATOM 0 HA VAL B 186 3.306 3.478 2.982 1.00 0.00 H new ATOM 0 HB VAL B 186 1.138 5.373 1.927 1.00 0.00 H new ATOM 0 HG11 VAL B 186 -0.388 3.978 3.305 1.00 0.00 H new ATOM 0 HG12 VAL B 186 0.427 2.999 2.064 1.00 0.00 H new ATOM 0 HG13 VAL B 186 0.978 2.930 3.755 1.00 0.00 H new ATOM 0 HG21 VAL B 186 0.776 5.935 4.320 1.00 0.00 H new ATOM 0 HG22 VAL B 186 2.144 4.890 4.771 1.00 0.00 H new ATOM 0 HG23 VAL B 186 2.426 6.359 3.806 1.00 0.00 H new ATOM 1021 N GLU B 187 2.782 4.080 -0.176 1.00 0.00 N ATOM 1022 CA GLU B 187 2.648 3.393 -1.496 1.00 0.00 C ATOM 1023 C GLU B 187 3.947 2.660 -1.837 1.00 0.00 C ATOM 1024 O GLU B 187 3.941 1.661 -2.532 1.00 0.00 O ATOM 1025 CB GLU B 187 2.380 4.511 -2.506 1.00 0.00 C ATOM 1026 CG GLU B 187 1.784 3.913 -3.782 1.00 0.00 C ATOM 1027 CD GLU B 187 1.154 5.026 -4.622 1.00 0.00 C ATOM 1028 OE1 GLU B 187 1.807 6.038 -4.814 1.00 0.00 O ATOM 1029 OE2 GLU B 187 0.029 4.846 -5.059 1.00 0.00 O ATOM 0 H GLU B 187 2.905 5.091 -0.226 1.00 0.00 H new ATOM 0 HA GLU B 187 1.850 2.650 -1.497 1.00 0.00 H new ATOM 0 HB2 GLU B 187 1.694 5.244 -2.080 1.00 0.00 H new ATOM 0 HB3 GLU B 187 3.306 5.037 -2.736 1.00 0.00 H new ATOM 0 HG2 GLU B 187 2.560 3.405 -4.355 1.00 0.00 H new ATOM 0 HG3 GLU B 187 1.033 3.164 -3.529 1.00 0.00 H new ATOM 1036 N GLN B 188 5.060 3.148 -1.347 1.00 0.00 N ATOM 1037 CA GLN B 188 6.366 2.480 -1.634 1.00 0.00 C ATOM 1038 C GLN B 188 6.485 1.190 -0.820 1.00 0.00 C ATOM 1039 O GLN B 188 7.139 0.248 -1.227 1.00 0.00 O ATOM 1040 CB GLN B 188 7.436 3.486 -1.204 1.00 0.00 C ATOM 1041 CG GLN B 188 7.720 4.453 -2.356 1.00 0.00 C ATOM 1042 CD GLN B 188 8.367 3.693 -3.513 1.00 0.00 C ATOM 1043 OE1 GLN B 188 9.494 3.252 -3.412 1.00 0.00 O ATOM 1044 NE2 GLN B 188 7.697 3.522 -4.620 1.00 0.00 N ATOM 0 H GLN B 188 5.120 3.980 -0.761 1.00 0.00 H new ATOM 0 HA GLN B 188 6.467 2.207 -2.684 1.00 0.00 H new ATOM 0 HB2 GLN B 188 7.100 4.038 -0.326 1.00 0.00 H new ATOM 0 HB3 GLN B 188 8.349 2.963 -0.921 1.00 0.00 H new ATOM 0 HG2 GLN B 188 6.794 4.922 -2.688 1.00 0.00 H new ATOM 0 HG3 GLN B 188 8.379 5.253 -2.019 1.00 0.00 H new ATOM 0 HE21 GLN B 188 6.750 3.892 -4.706 1.00 0.00 H new ATOM 0 HE22 GLN B 188 8.120 3.018 -5.400 1.00 0.00 H new ATOM 1053 N GLN B 189 5.853 1.141 0.325 1.00 0.00 N ATOM 1054 CA GLN B 189 5.921 -0.089 1.171 1.00 0.00 C ATOM 1055 C GLN B 189 5.058 -1.193 0.558 1.00 0.00 C ATOM 1056 O GLN B 189 5.407 -2.358 0.599 1.00 0.00 O ATOM 1057 CB GLN B 189 5.371 0.329 2.537 1.00 0.00 C ATOM 1058 CG GLN B 189 6.052 -0.488 3.646 1.00 0.00 C ATOM 1059 CD GLN B 189 6.579 0.452 4.734 1.00 0.00 C ATOM 1060 OE1 GLN B 189 6.058 0.483 5.831 1.00 0.00 O ATOM 1061 NE2 GLN B 189 7.599 1.224 4.473 1.00 0.00 N ATOM 0 H GLN B 189 5.292 1.901 0.711 1.00 0.00 H new ATOM 0 HA GLN B 189 6.935 -0.481 1.249 1.00 0.00 H new ATOM 0 HB2 GLN B 189 5.544 1.393 2.698 1.00 0.00 H new ATOM 0 HB3 GLN B 189 4.293 0.173 2.568 1.00 0.00 H new ATOM 0 HG2 GLN B 189 5.343 -1.196 4.076 1.00 0.00 H new ATOM 0 HG3 GLN B 189 6.872 -1.072 3.229 1.00 0.00 H new ATOM 0 HE21 GLN B 189 8.036 1.198 3.552 1.00 0.00 H new ATOM 0 HE22 GLN B 189 7.959 1.854 5.190 1.00 0.00 H new ATOM 1070 N ILE B 190 3.938 -0.831 -0.014 1.00 0.00 N ATOM 1071 CA ILE B 190 3.048 -1.857 -0.640 1.00 0.00 C ATOM 1072 C ILE B 190 3.721 -2.429 -1.890 1.00 0.00 C ATOM 1073 O ILE B 190 3.522 -3.576 -2.242 1.00 0.00 O ATOM 1074 CB ILE B 190 1.759 -1.112 -1.004 1.00 0.00 C ATOM 1075 CG1 ILE B 190 1.131 -0.535 0.268 1.00 0.00 C ATOM 1076 CG2 ILE B 190 0.770 -2.081 -1.660 1.00 0.00 C ATOM 1077 CD1 ILE B 190 -0.077 0.329 -0.100 1.00 0.00 C ATOM 0 H ILE B 190 3.601 0.130 -0.075 1.00 0.00 H new ATOM 0 HA ILE B 190 2.845 -2.695 0.027 1.00 0.00 H new ATOM 0 HB ILE B 190 1.992 -0.306 -1.700 1.00 0.00 H new ATOM 0 HG12 ILE B 190 0.824 -1.343 0.932 1.00 0.00 H new ATOM 0 HG13 ILE B 190 1.865 0.061 0.810 1.00 0.00 H new ATOM 0 HG21 ILE B 190 -0.145 -1.548 -1.917 1.00 0.00 H new ATOM 0 HG22 ILE B 190 1.214 -2.497 -2.564 1.00 0.00 H new ATOM 0 HG23 ILE B 190 0.537 -2.888 -0.966 1.00 0.00 H new ATOM 0 HD11 ILE B 190 -0.522 0.738 0.807 1.00 0.00 H new ATOM 0 HD12 ILE B 190 0.243 1.145 -0.747 1.00 0.00 H new ATOM 0 HD13 ILE B 190 -0.814 -0.280 -0.623 1.00 0.00 H new ATOM 1089 N SER B 191 4.523 -1.636 -2.555 1.00 0.00 N ATOM 1090 CA SER B 191 5.223 -2.130 -3.779 1.00 0.00 C ATOM 1091 C SER B 191 6.260 -3.182 -3.386 1.00 0.00 C ATOM 1092 O SER B 191 6.411 -4.193 -4.046 1.00 0.00 O ATOM 1093 CB SER B 191 5.904 -0.900 -4.381 1.00 0.00 C ATOM 1094 OG SER B 191 5.016 -0.275 -5.299 1.00 0.00 O ATOM 0 H SER B 191 4.723 -0.668 -2.303 1.00 0.00 H new ATOM 0 HA SER B 191 4.541 -2.595 -4.490 1.00 0.00 H new ATOM 0 HB2 SER B 191 6.182 -0.201 -3.592 1.00 0.00 H new ATOM 0 HB3 SER B 191 6.824 -1.191 -4.888 1.00 0.00 H new ATOM 0 HG SER B 191 5.448 0.515 -5.686 1.00 0.00 H new ATOM 1100 N LYS B 192 6.966 -2.953 -2.308 1.00 0.00 N ATOM 1101 CA LYS B 192 7.989 -3.942 -1.855 1.00 0.00 C ATOM 1102 C LYS B 192 7.287 -5.162 -1.260 1.00 0.00 C ATOM 1103 O LYS B 192 7.755 -6.280 -1.383 1.00 0.00 O ATOM 1104 CB LYS B 192 8.810 -3.215 -0.788 1.00 0.00 C ATOM 1105 CG LYS B 192 9.548 -2.037 -1.426 1.00 0.00 C ATOM 1106 CD LYS B 192 10.798 -2.545 -2.148 1.00 0.00 C ATOM 1107 CE LYS B 192 11.231 -1.524 -3.202 1.00 0.00 C ATOM 1108 NZ LYS B 192 11.738 -2.340 -4.341 1.00 0.00 N ATOM 0 H LYS B 192 6.878 -2.123 -1.722 1.00 0.00 H new ATOM 0 HA LYS B 192 8.621 -4.295 -2.670 1.00 0.00 H new ATOM 0 HB2 LYS B 192 8.157 -2.860 0.009 1.00 0.00 H new ATOM 0 HB3 LYS B 192 9.524 -3.902 -0.333 1.00 0.00 H new ATOM 0 HG2 LYS B 192 8.893 -1.522 -2.129 1.00 0.00 H new ATOM 0 HG3 LYS B 192 9.827 -1.312 -0.661 1.00 0.00 H new ATOM 0 HD2 LYS B 192 11.603 -2.708 -1.432 1.00 0.00 H new ATOM 0 HD3 LYS B 192 10.593 -3.506 -2.620 1.00 0.00 H new ATOM 0 HE2 LYS B 192 10.396 -0.894 -3.508 1.00 0.00 H new ATOM 0 HE3 LYS B 192 12.005 -0.861 -2.815 1.00 0.00 H new ATOM 0 HZ1 LYS B 192 12.054 -1.710 -5.106 1.00 0.00 H new ATOM 0 HZ2 LYS B 192 12.537 -2.924 -4.021 1.00 0.00 H new ATOM 0 HZ3 LYS B 192 10.977 -2.956 -4.692 1.00 0.00 H new ATOM 1122 N LEU B 193 6.161 -4.954 -0.628 1.00 0.00 N ATOM 1123 CA LEU B 193 5.408 -6.099 -0.032 1.00 0.00 C ATOM 1124 C LEU B 193 4.768 -6.924 -1.151 1.00 0.00 C ATOM 1125 O LEU B 193 4.595 -8.122 -1.029 1.00 0.00 O ATOM 1126 CB LEU B 193 4.335 -5.460 0.859 1.00 0.00 C ATOM 1127 CG LEU B 193 4.314 -6.156 2.221 1.00 0.00 C ATOM 1128 CD1 LEU B 193 3.895 -5.155 3.300 1.00 0.00 C ATOM 1129 CD2 LEU B 193 3.315 -7.315 2.186 1.00 0.00 C ATOM 0 H LEU B 193 5.729 -4.039 -0.498 1.00 0.00 H new ATOM 0 HA LEU B 193 6.048 -6.770 0.541 1.00 0.00 H new ATOM 0 HB2 LEU B 193 4.540 -4.397 0.986 1.00 0.00 H new ATOM 0 HB3 LEU B 193 3.358 -5.541 0.383 1.00 0.00 H new ATOM 0 HG LEU B 193 5.309 -6.539 2.448 1.00 0.00 H new ATOM 0 HD11 LEU B 193 3.880 -5.651 4.270 1.00 0.00 H new ATOM 0 HD12 LEU B 193 4.606 -4.329 3.326 1.00 0.00 H new ATOM 0 HD13 LEU B 193 2.900 -4.771 3.074 1.00 0.00 H new ATOM 0 HD21 LEU B 193 3.300 -7.811 3.156 1.00 0.00 H new ATOM 0 HD22 LEU B 193 2.320 -6.931 1.959 1.00 0.00 H new ATOM 0 HD23 LEU B 193 3.613 -8.029 1.418 1.00 0.00 H new ATOM 1141 N LYS B 194 4.421 -6.287 -2.242 1.00 0.00 N ATOM 1142 CA LYS B 194 3.799 -7.027 -3.381 1.00 0.00 C ATOM 1143 C LYS B 194 4.841 -7.934 -4.038 1.00 0.00 C ATOM 1144 O LYS B 194 4.566 -9.072 -4.367 1.00 0.00 O ATOM 1145 CB LYS B 194 3.330 -5.950 -4.360 1.00 0.00 C ATOM 1146 CG LYS B 194 2.303 -6.546 -5.323 1.00 0.00 C ATOM 1147 CD LYS B 194 0.964 -6.717 -4.604 1.00 0.00 C ATOM 1148 CE LYS B 194 0.169 -5.413 -4.689 1.00 0.00 C ATOM 1149 NZ LYS B 194 -1.242 -5.838 -4.908 1.00 0.00 N ATOM 0 H LYS B 194 4.542 -5.285 -2.392 1.00 0.00 H new ATOM 0 HA LYS B 194 2.973 -7.661 -3.060 1.00 0.00 H new ATOM 0 HB2 LYS B 194 2.891 -5.115 -3.815 1.00 0.00 H new ATOM 0 HB3 LYS B 194 4.180 -5.555 -4.917 1.00 0.00 H new ATOM 0 HG2 LYS B 194 2.182 -5.896 -6.189 1.00 0.00 H new ATOM 0 HG3 LYS B 194 2.654 -7.509 -5.694 1.00 0.00 H new ATOM 0 HD2 LYS B 194 0.397 -7.531 -5.057 1.00 0.00 H new ATOM 0 HD3 LYS B 194 1.131 -6.986 -3.561 1.00 0.00 H new ATOM 0 HE2 LYS B 194 0.268 -4.829 -3.774 1.00 0.00 H new ATOM 0 HE3 LYS B 194 0.524 -4.786 -5.507 1.00 0.00 H new ATOM 0 HZ1 LYS B 194 -1.851 -4.998 -4.977 1.00 0.00 H new ATOM 0 HZ2 LYS B 194 -1.307 -6.386 -5.790 1.00 0.00 H new ATOM 0 HZ3 LYS B 194 -1.555 -6.428 -4.110 1.00 0.00 H new ATOM 1163 N LYS B 195 6.041 -7.438 -4.220 1.00 0.00 N ATOM 1164 CA LYS B 195 7.111 -8.273 -4.846 1.00 0.00 C ATOM 1165 C LYS B 195 7.429 -9.459 -3.933 1.00 0.00 C ATOM 1166 O LYS B 195 7.776 -10.532 -4.389 1.00 0.00 O ATOM 1167 CB LYS B 195 8.325 -7.348 -4.976 1.00 0.00 C ATOM 1168 CG LYS B 195 9.010 -7.587 -6.324 1.00 0.00 C ATOM 1169 CD LYS B 195 9.841 -8.869 -6.255 1.00 0.00 C ATOM 1170 CE LYS B 195 10.325 -9.241 -7.659 1.00 0.00 C ATOM 1171 NZ LYS B 195 11.564 -8.438 -7.863 1.00 0.00 N ATOM 0 H LYS B 195 6.324 -6.493 -3.962 1.00 0.00 H new ATOM 0 HA LYS B 195 6.815 -8.676 -5.814 1.00 0.00 H new ATOM 0 HB2 LYS B 195 8.012 -6.307 -4.895 1.00 0.00 H new ATOM 0 HB3 LYS B 195 9.026 -7.534 -4.162 1.00 0.00 H new ATOM 0 HG2 LYS B 195 8.263 -7.667 -7.114 1.00 0.00 H new ATOM 0 HG3 LYS B 195 9.649 -6.740 -6.574 1.00 0.00 H new ATOM 0 HD2 LYS B 195 10.694 -8.727 -5.591 1.00 0.00 H new ATOM 0 HD3 LYS B 195 9.244 -9.680 -5.838 1.00 0.00 H new ATOM 0 HE2 LYS B 195 10.529 -10.309 -7.736 1.00 0.00 H new ATOM 0 HE3 LYS B 195 9.573 -9.005 -8.412 1.00 0.00 H new ATOM 0 HZ1 LYS B 195 11.956 -8.638 -8.805 1.00 0.00 H new ATOM 0 HZ2 LYS B 195 11.337 -7.426 -7.790 1.00 0.00 H new ATOM 0 HZ3 LYS B 195 12.264 -8.689 -7.136 1.00 0.00 H new ATOM 1185 N LYS B 196 7.302 -9.268 -2.644 1.00 0.00 N ATOM 1186 CA LYS B 196 7.582 -10.379 -1.684 1.00 0.00 C ATOM 1187 C LYS B 196 6.581 -11.514 -1.912 1.00 0.00 C ATOM 1188 O LYS B 196 6.918 -12.679 -1.820 1.00 0.00 O ATOM 1189 CB LYS B 196 7.401 -9.763 -0.291 1.00 0.00 C ATOM 1190 CG LYS B 196 7.646 -10.824 0.790 1.00 0.00 C ATOM 1191 CD LYS B 196 6.587 -10.696 1.890 1.00 0.00 C ATOM 1192 CE LYS B 196 5.223 -11.125 1.341 1.00 0.00 C ATOM 1193 NZ LYS B 196 5.221 -12.612 1.436 1.00 0.00 N ATOM 0 H LYS B 196 7.016 -8.388 -2.214 1.00 0.00 H new ATOM 0 HA LYS B 196 8.581 -10.799 -1.806 1.00 0.00 H new ATOM 0 HB2 LYS B 196 8.094 -8.932 -0.159 1.00 0.00 H new ATOM 0 HB3 LYS B 196 6.394 -9.357 -0.192 1.00 0.00 H new ATOM 0 HG2 LYS B 196 7.608 -11.821 0.350 1.00 0.00 H new ATOM 0 HG3 LYS B 196 8.642 -10.701 1.215 1.00 0.00 H new ATOM 0 HD2 LYS B 196 6.858 -11.316 2.744 1.00 0.00 H new ATOM 0 HD3 LYS B 196 6.540 -9.667 2.246 1.00 0.00 H new ATOM 0 HE2 LYS B 196 4.409 -10.691 1.922 1.00 0.00 H new ATOM 0 HE3 LYS B 196 5.090 -10.795 0.311 1.00 0.00 H new ATOM 0 HZ1 LYS B 196 4.576 -13.005 0.721 1.00 0.00 H new ATOM 0 HZ2 LYS B 196 6.182 -12.972 1.270 1.00 0.00 H new ATOM 0 HZ3 LYS B 196 4.903 -12.899 2.384 1.00 0.00 H new ATOM 1207 N GLN B 197 5.356 -11.174 -2.216 1.00 0.00 N ATOM 1208 CA GLN B 197 4.322 -12.225 -2.462 1.00 0.00 C ATOM 1209 C GLN B 197 4.725 -13.075 -3.669 1.00 0.00 C ATOM 1210 O GLN B 197 4.403 -14.246 -3.751 1.00 0.00 O ATOM 1211 CB GLN B 197 3.027 -11.461 -2.752 1.00 0.00 C ATOM 1212 CG GLN B 197 1.859 -12.445 -2.827 1.00 0.00 C ATOM 1213 CD GLN B 197 1.507 -12.927 -1.419 1.00 0.00 C ATOM 1214 OE1 GLN B 197 0.625 -12.385 -0.781 1.00 0.00 O ATOM 1215 NE2 GLN B 197 2.162 -13.930 -0.903 1.00 0.00 N ATOM 0 H GLN B 197 5.026 -10.213 -2.305 1.00 0.00 H new ATOM 0 HA GLN B 197 4.208 -12.899 -1.613 1.00 0.00 H new ATOM 0 HB2 GLN B 197 2.845 -10.723 -1.971 1.00 0.00 H new ATOM 0 HB3 GLN B 197 3.117 -10.915 -3.691 1.00 0.00 H new ATOM 0 HG2 GLN B 197 0.994 -11.965 -3.285 1.00 0.00 H new ATOM 0 HG3 GLN B 197 2.124 -13.294 -3.458 1.00 0.00 H new ATOM 0 HE21 GLN B 197 2.902 -14.385 -1.438 1.00 0.00 H new ATOM 0 HE22 GLN B 197 1.934 -14.259 0.035 1.00 0.00 H new ATOM 1224 N GLN B 198 5.434 -12.490 -4.600 1.00 0.00 N ATOM 1225 CA GLN B 198 5.873 -13.255 -5.808 1.00 0.00 C ATOM 1226 C GLN B 198 6.783 -14.409 -5.390 1.00 0.00 C ATOM 1227 O GLN B 198 6.641 -15.524 -5.855 1.00 0.00 O ATOM 1228 CB GLN B 198 6.644 -12.250 -6.667 1.00 0.00 C ATOM 1229 CG GLN B 198 6.505 -12.627 -8.143 1.00 0.00 C ATOM 1230 CD GLN B 198 5.132 -12.189 -8.655 1.00 0.00 C ATOM 1231 OE1 GLN B 198 4.406 -12.975 -9.232 1.00 0.00 O ATOM 1232 NE2 GLN B 198 4.742 -10.957 -8.469 1.00 0.00 N ATOM 0 H GLN B 198 5.729 -11.514 -4.577 1.00 0.00 H new ATOM 0 HA GLN B 198 5.032 -13.686 -6.351 1.00 0.00 H new ATOM 0 HB2 GLN B 198 6.260 -11.243 -6.500 1.00 0.00 H new ATOM 0 HB3 GLN B 198 7.696 -12.242 -6.380 1.00 0.00 H new ATOM 0 HG2 GLN B 198 7.292 -12.149 -8.727 1.00 0.00 H new ATOM 0 HG3 GLN B 198 6.625 -13.703 -8.267 1.00 0.00 H new ATOM 0 HE21 GLN B 198 5.351 -10.297 -7.985 1.00 0.00 H new ATOM 0 HE22 GLN B 198 3.829 -10.655 -8.808 1.00 0.00 H new ATOM 1241 N GLN B 199 7.713 -14.145 -4.512 1.00 0.00 N ATOM 1242 CA GLN B 199 8.641 -15.223 -4.049 1.00 0.00 C ATOM 1243 C GLN B 199 7.849 -16.315 -3.329 1.00 0.00 C ATOM 1244 O GLN B 199 8.135 -17.491 -3.462 1.00 0.00 O ATOM 1245 CB GLN B 199 9.612 -14.537 -3.086 1.00 0.00 C ATOM 1246 CG GLN B 199 10.711 -13.832 -3.883 1.00 0.00 C ATOM 1247 CD GLN B 199 11.242 -12.643 -3.081 1.00 0.00 C ATOM 1248 OE1 GLN B 199 11.780 -12.812 -2.005 1.00 0.00 O ATOM 1249 NE2 GLN B 199 11.115 -11.436 -3.563 1.00 0.00 N ATOM 0 H GLN B 199 7.872 -13.229 -4.093 1.00 0.00 H new ATOM 0 HA GLN B 199 9.168 -15.699 -4.876 1.00 0.00 H new ATOM 0 HB2 GLN B 199 9.078 -13.816 -2.467 1.00 0.00 H new ATOM 0 HB3 GLN B 199 10.052 -15.272 -2.412 1.00 0.00 H new ATOM 0 HG2 GLN B 199 11.521 -14.528 -4.100 1.00 0.00 H new ATOM 0 HG3 GLN B 199 10.318 -13.491 -4.841 1.00 0.00 H new ATOM 0 HE21 GLN B 199 10.664 -11.292 -4.466 1.00 0.00 H new ATOM 0 HE22 GLN B 199 11.467 -10.637 -3.036 1.00 0.00 H new ATOM 1258 N LEU B 200 6.852 -15.933 -2.573 1.00 0.00 N ATOM 1259 CA LEU B 200 6.029 -16.946 -1.844 1.00 0.00 C ATOM 1260 C LEU B 200 5.126 -17.686 -2.833 1.00 0.00 C ATOM 1261 O LEU B 200 4.886 -18.872 -2.699 1.00 0.00 O ATOM 1262 CB LEU B 200 5.191 -16.143 -0.847 1.00 0.00 C ATOM 1263 CG LEU B 200 4.971 -16.973 0.420 1.00 0.00 C ATOM 1264 CD1 LEU B 200 6.216 -16.894 1.305 1.00 0.00 C ATOM 1265 CD2 LEU B 200 3.766 -16.421 1.186 1.00 0.00 C ATOM 0 H LEU B 200 6.572 -14.963 -2.429 1.00 0.00 H new ATOM 0 HA LEU B 200 6.641 -17.695 -1.341 1.00 0.00 H new ATOM 0 HB2 LEU B 200 5.696 -15.209 -0.600 1.00 0.00 H new ATOM 0 HB3 LEU B 200 4.232 -15.878 -1.292 1.00 0.00 H new ATOM 0 HG LEU B 200 4.785 -18.012 0.147 1.00 0.00 H new ATOM 0 HD11 LEU B 200 6.059 -17.485 2.207 1.00 0.00 H new ATOM 0 HD12 LEU B 200 7.075 -17.285 0.760 1.00 0.00 H new ATOM 0 HD13 LEU B 200 6.402 -15.856 1.579 1.00 0.00 H new ATOM 0 HD21 LEU B 200 3.608 -17.011 2.089 1.00 0.00 H new ATOM 0 HD22 LEU B 200 3.953 -15.383 1.459 1.00 0.00 H new ATOM 0 HD23 LEU B 200 2.878 -16.476 0.556 1.00 0.00 H new ATOM 1277 N GLU B 201 4.630 -16.994 -3.827 1.00 0.00 N ATOM 1278 CA GLU B 201 3.747 -17.651 -4.836 1.00 0.00 C ATOM 1279 C GLU B 201 4.593 -18.487 -5.797 1.00 0.00 C ATOM 1280 O GLU B 201 4.151 -19.499 -6.309 1.00 0.00 O ATOM 1281 CB GLU B 201 3.059 -16.505 -5.581 1.00 0.00 C ATOM 1282 CG GLU B 201 1.767 -16.129 -4.854 1.00 0.00 C ATOM 1283 CD GLU B 201 0.750 -15.595 -5.864 1.00 0.00 C ATOM 1284 OE1 GLU B 201 0.139 -16.403 -6.545 1.00 0.00 O ATOM 1285 OE2 GLU B 201 0.599 -14.386 -5.941 1.00 0.00 O ATOM 0 H GLU B 201 4.799 -16.000 -3.983 1.00 0.00 H new ATOM 0 HA GLU B 201 3.021 -18.322 -4.377 1.00 0.00 H new ATOM 0 HB2 GLU B 201 3.723 -15.642 -5.636 1.00 0.00 H new ATOM 0 HB3 GLU B 201 2.839 -16.803 -6.606 1.00 0.00 H new ATOM 0 HG2 GLU B 201 1.361 -16.999 -4.338 1.00 0.00 H new ATOM 0 HG3 GLU B 201 1.971 -15.375 -4.094 1.00 0.00 H new