USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=9 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 -140:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.8 K(o=-0.8,f=-0.24) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 160:sc= -0.0223 (180deg=-0.493) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 83 LYS NZ :NH3+ -114:sc= 0 (180deg=-0.6) USER MOD Single : A 84 HIS : no HD1:sc= -0.673 K(o=-0.67,f=-0.066) USER MOD Single : A 85 GLN : amide:sc=-0.00614 X(o=-0.0061,f=0) USER MOD Single : A 89 GLN : amide:sc= -0.081 X(o=-0.081,f=-0.47) USER MOD Single : B 168 SER OG : rot -45:sc= 0.823 USER MOD Single : B 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 174 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : B 175 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : B 176 MET CE :methyl 168:sc= -6.12! (180deg=-7.38!) USER MOD Single : B 184 THR OG1 : rot 180:sc= 0.0148 USER MOD Single : B 185 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 188 GLN : amide:sc= -0.462 X(o=-0.46,f=-0.2) USER MOD Single : B 189 GLN : amide:sc= -0.318 X(o=-0.32,f=0) USER MOD Single : B 191 SER OG : rot 94:sc= 1.14 USER MOD Single : B 192 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 194 LYS NZ :NH3+ 141:sc= 0 (180deg=-0.0441) USER MOD Single : B 195 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 196 LYS NZ :NH3+ 145:sc= -0.464 (180deg=-2.12!) USER MOD Single : B 197 GLN : amide:sc= -4.69! K(o=-4.7!,f=-1.9) USER MOD Single : B 198 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.1) USER MOD Single : B 199 GLN : amide:sc= -0.0926 X(o=-0.093,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 161 N LEU A 62 -0.032 -18.138 2.251 1.00 0.00 N ATOM 162 CA LEU A 62 -0.392 -16.928 1.451 1.00 0.00 C ATOM 163 C LEU A 62 -1.632 -16.258 2.051 1.00 0.00 C ATOM 164 O LEU A 62 -1.808 -15.058 1.949 1.00 0.00 O ATOM 165 CB LEU A 62 -0.690 -17.446 0.035 1.00 0.00 C ATOM 166 CG LEU A 62 0.464 -17.096 -0.918 1.00 0.00 C ATOM 167 CD1 LEU A 62 0.653 -15.576 -0.975 1.00 0.00 C ATOM 168 CD2 LEU A 62 1.759 -17.756 -0.430 1.00 0.00 C ATOM 0 HA LEU A 62 0.406 -16.186 1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.835 -18.526 0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.618 -17.008 -0.331 1.00 0.00 H new ATOM 0 HG LEU A 62 0.224 -17.465 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.473 -15.336 -1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.264 -15.109 -1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.885 -15.201 0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.574 -17.505 -1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.996 -17.395 0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.629 -18.838 -0.404 1.00 0.00 H new ATOM 180 N GLU A 63 -2.487 -17.027 2.675 1.00 0.00 N ATOM 181 CA GLU A 63 -3.720 -16.441 3.287 1.00 0.00 C ATOM 182 C GLU A 63 -3.338 -15.462 4.397 1.00 0.00 C ATOM 183 O GLU A 63 -3.911 -14.396 4.521 1.00 0.00 O ATOM 184 CB GLU A 63 -4.495 -17.629 3.859 1.00 0.00 C ATOM 185 CG GLU A 63 -5.079 -18.458 2.713 1.00 0.00 C ATOM 186 CD GLU A 63 -6.343 -17.778 2.183 1.00 0.00 C ATOM 187 OE1 GLU A 63 -6.213 -16.754 1.533 1.00 0.00 O ATOM 188 OE2 GLU A 63 -7.419 -18.293 2.437 1.00 0.00 O ATOM 0 H GLU A 63 -2.386 -18.036 2.788 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.316 -15.887 2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.836 -18.247 4.469 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.294 -17.276 4.510 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.345 -18.560 1.913 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.313 -19.464 3.061 1.00 0.00 H new ATOM 195 N GLU A 64 -2.369 -15.817 5.198 1.00 0.00 N ATOM 196 CA GLU A 64 -1.935 -14.908 6.303 1.00 0.00 C ATOM 197 C GLU A 64 -1.181 -13.715 5.720 1.00 0.00 C ATOM 198 O GLU A 64 -1.315 -12.597 6.182 1.00 0.00 O ATOM 199 CB GLU A 64 -1.013 -15.752 7.184 1.00 0.00 C ATOM 200 CG GLU A 64 -1.222 -15.375 8.653 1.00 0.00 C ATOM 201 CD GLU A 64 -0.612 -16.455 9.549 1.00 0.00 C ATOM 202 OE1 GLU A 64 -0.746 -17.620 9.213 1.00 0.00 O ATOM 203 OE2 GLU A 64 -0.022 -16.098 10.555 1.00 0.00 O ATOM 0 H GLU A 64 -1.858 -16.697 5.136 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.777 -14.513 6.872 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.222 -16.812 7.037 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.027 -15.590 6.901 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.759 -14.410 8.861 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.286 -15.270 8.865 1.00 0.00 H new ATOM 210 N THR A 65 -0.400 -13.948 4.699 1.00 0.00 N ATOM 211 CA THR A 65 0.359 -12.832 4.062 1.00 0.00 C ATOM 212 C THR A 65 -0.602 -11.962 3.250 1.00 0.00 C ATOM 213 O THR A 65 -0.411 -10.769 3.117 1.00 0.00 O ATOM 214 CB THR A 65 1.382 -13.508 3.146 1.00 0.00 C ATOM 215 OG1 THR A 65 2.200 -14.379 3.914 1.00 0.00 O ATOM 216 CG2 THR A 65 2.254 -12.445 2.475 1.00 0.00 C ATOM 0 H THR A 65 -0.254 -14.865 4.278 1.00 0.00 H new ATOM 0 HA THR A 65 0.846 -12.186 4.793 1.00 0.00 H new ATOM 0 HB THR A 65 0.860 -14.081 2.380 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.127 -14.315 3.604 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.981 -12.929 1.823 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.625 -11.778 1.885 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.777 -11.869 3.238 1.00 0.00 H new ATOM 224 N LYS A 66 -1.640 -12.557 2.717 1.00 0.00 N ATOM 225 CA LYS A 66 -2.628 -11.771 1.920 1.00 0.00 C ATOM 226 C LYS A 66 -3.424 -10.845 2.843 1.00 0.00 C ATOM 227 O LYS A 66 -3.895 -9.802 2.431 1.00 0.00 O ATOM 228 CB LYS A 66 -3.550 -12.811 1.278 1.00 0.00 C ATOM 229 CG LYS A 66 -3.011 -13.188 -0.104 1.00 0.00 C ATOM 230 CD LYS A 66 -3.619 -12.264 -1.161 1.00 0.00 C ATOM 231 CE LYS A 66 -3.420 -12.875 -2.549 1.00 0.00 C ATOM 232 NZ LYS A 66 -4.398 -12.169 -3.424 1.00 0.00 N ATOM 0 H LYS A 66 -1.845 -13.553 2.800 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.147 -11.143 1.170 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.612 -13.697 1.910 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.560 -12.411 1.189 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.924 -13.106 -0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.255 -14.226 -0.330 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.681 -12.119 -0.965 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.149 -11.282 -1.114 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.399 -12.730 -2.901 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.604 -13.949 -2.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.322 -12.534 -4.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.362 -12.330 -3.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.194 -11.149 -3.421 1.00 0.00 H new ATOM 246 N GLU A 67 -3.574 -11.221 4.090 1.00 0.00 N ATOM 247 CA GLU A 67 -4.339 -10.362 5.045 1.00 0.00 C ATOM 248 C GLU A 67 -3.568 -9.072 5.324 1.00 0.00 C ATOM 249 O GLU A 67 -4.144 -8.006 5.434 1.00 0.00 O ATOM 250 CB GLU A 67 -4.474 -11.195 6.322 1.00 0.00 C ATOM 251 CG GLU A 67 -5.810 -11.940 6.306 1.00 0.00 C ATOM 252 CD GLU A 67 -6.938 -10.975 6.675 1.00 0.00 C ATOM 253 OE1 GLU A 67 -6.890 -9.841 6.230 1.00 0.00 O ATOM 254 OE2 GLU A 67 -7.832 -11.387 7.397 1.00 0.00 O ATOM 0 H GLU A 67 -3.200 -12.083 4.486 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.312 -10.074 4.648 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.650 -11.905 6.394 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.416 -10.549 7.198 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.989 -12.365 5.318 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.783 -12.771 7.011 1.00 0.00 H new ATOM 261 N GLN A 68 -2.268 -9.163 5.432 1.00 0.00 N ATOM 262 CA GLN A 68 -1.449 -7.940 5.695 1.00 0.00 C ATOM 263 C GLN A 68 -1.329 -7.118 4.413 1.00 0.00 C ATOM 264 O GLN A 68 -1.333 -5.902 4.440 1.00 0.00 O ATOM 265 CB GLN A 68 -0.079 -8.457 6.137 1.00 0.00 C ATOM 266 CG GLN A 68 0.822 -7.274 6.497 1.00 0.00 C ATOM 267 CD GLN A 68 0.268 -6.568 7.736 1.00 0.00 C ATOM 268 OE1 GLN A 68 0.612 -6.910 8.849 1.00 0.00 O ATOM 269 NE2 GLN A 68 -0.582 -5.588 7.588 1.00 0.00 N ATOM 0 H GLN A 68 -1.737 -10.030 5.350 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.894 -7.295 6.453 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.188 -9.119 6.996 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.375 -9.044 5.338 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.837 -7.621 6.687 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.875 -6.576 5.661 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.871 -5.300 6.653 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.957 -5.110 8.407 1.00 0.00 H new ATOM 278 N ILE A 69 -1.236 -7.781 3.291 1.00 0.00 N ATOM 279 CA ILE A 69 -1.131 -7.053 1.992 1.00 0.00 C ATOM 280 C ILE A 69 -2.503 -6.491 1.604 1.00 0.00 C ATOM 281 O ILE A 69 -2.599 -5.503 0.900 1.00 0.00 O ATOM 282 CB ILE A 69 -0.660 -8.101 0.977 1.00 0.00 C ATOM 283 CG1 ILE A 69 0.703 -8.651 1.410 1.00 0.00 C ATOM 284 CG2 ILE A 69 -0.525 -7.461 -0.406 1.00 0.00 C ATOM 285 CD1 ILE A 69 1.040 -9.892 0.582 1.00 0.00 C ATOM 0 H ILE A 69 -1.228 -8.798 3.218 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.441 -6.210 2.039 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.390 -8.909 0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.473 -7.891 1.275 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.685 -8.902 2.470 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.190 -8.211 -1.123 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.491 -7.065 -0.720 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.202 -6.650 -0.362 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.010 -10.283 0.890 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.275 -10.653 0.739 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.075 -9.626 -0.474 1.00 0.00 H new ATOM 297 N LEU A 70 -3.563 -7.108 2.069 1.00 0.00 N ATOM 298 CA LEU A 70 -4.931 -6.605 1.739 1.00 0.00 C ATOM 299 C LEU A 70 -5.241 -5.360 2.573 1.00 0.00 C ATOM 300 O LEU A 70 -5.917 -4.455 2.121 1.00 0.00 O ATOM 301 CB LEU A 70 -5.880 -7.748 2.104 1.00 0.00 C ATOM 302 CG LEU A 70 -7.314 -7.356 1.742 1.00 0.00 C ATOM 303 CD1 LEU A 70 -8.094 -8.602 1.317 1.00 0.00 C ATOM 304 CD2 LEU A 70 -7.991 -6.725 2.961 1.00 0.00 C ATOM 0 H LEU A 70 -3.538 -7.937 2.662 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.028 -6.323 0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.595 -8.656 1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.810 -7.967 3.169 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.298 -6.640 0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.115 -8.322 1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.612 -9.055 0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.111 -9.319 2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.013 -6.445 2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.006 -7.443 3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.437 -5.837 3.266 1.00 0.00 H new ATOM 316 N LYS A 71 -4.744 -5.307 3.785 1.00 0.00 N ATOM 317 CA LYS A 71 -5.002 -4.115 4.650 1.00 0.00 C ATOM 318 C LYS A 71 -4.232 -2.911 4.109 1.00 0.00 C ATOM 319 O LYS A 71 -4.679 -1.783 4.203 1.00 0.00 O ATOM 320 CB LYS A 71 -4.492 -4.503 6.039 1.00 0.00 C ATOM 321 CG LYS A 71 -5.328 -5.661 6.585 1.00 0.00 C ATOM 322 CD LYS A 71 -6.540 -5.107 7.337 1.00 0.00 C ATOM 323 CE LYS A 71 -6.903 -6.049 8.488 1.00 0.00 C ATOM 324 NZ LYS A 71 -7.946 -6.954 7.930 1.00 0.00 N ATOM 0 H LYS A 71 -4.172 -6.036 4.211 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.057 -3.840 4.676 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.442 -4.792 5.985 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.553 -3.648 6.712 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.656 -6.303 5.768 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.724 -6.277 7.251 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.318 -4.112 7.724 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.386 -5.003 6.658 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.033 -6.611 8.827 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.280 -5.495 9.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.246 -7.630 8.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.765 -6.392 7.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.557 -7.473 7.117 1.00 0.00 H new ATOM 338 N LEU A 72 -3.080 -3.148 3.536 1.00 0.00 N ATOM 339 CA LEU A 72 -2.274 -2.022 2.974 1.00 0.00 C ATOM 340 C LEU A 72 -3.017 -1.395 1.793 1.00 0.00 C ATOM 341 O LEU A 72 -2.888 -0.216 1.524 1.00 0.00 O ATOM 342 CB LEU A 72 -0.961 -2.657 2.508 1.00 0.00 C ATOM 343 CG LEU A 72 0.109 -2.469 3.585 1.00 0.00 C ATOM 344 CD1 LEU A 72 1.359 -3.269 3.210 1.00 0.00 C ATOM 345 CD2 LEU A 72 0.468 -0.982 3.698 1.00 0.00 C ATOM 0 H LEU A 72 -2.662 -4.073 3.433 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.099 -1.232 3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.109 -3.718 2.309 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.635 -2.200 1.574 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.275 -2.823 4.542 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.121 -3.135 3.978 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.105 -4.326 3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.743 -2.917 2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.230 -0.849 4.466 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.850 -0.626 2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.421 -0.412 3.968 1.00 0.00 H new ATOM 357 N GLU A 73 -3.798 -2.179 1.091 1.00 0.00 N ATOM 358 CA GLU A 73 -4.560 -1.634 -0.074 1.00 0.00 C ATOM 359 C GLU A 73 -5.550 -0.573 0.405 1.00 0.00 C ATOM 360 O GLU A 73 -5.675 0.484 -0.187 1.00 0.00 O ATOM 361 CB GLU A 73 -5.302 -2.832 -0.671 1.00 0.00 C ATOM 362 CG GLU A 73 -5.368 -2.685 -2.192 1.00 0.00 C ATOM 363 CD GLU A 73 -6.669 -1.982 -2.582 1.00 0.00 C ATOM 364 OE1 GLU A 73 -6.670 -0.762 -2.625 1.00 0.00 O ATOM 365 OE2 GLU A 73 -7.643 -2.674 -2.829 1.00 0.00 O ATOM 0 H GLU A 73 -3.940 -3.172 1.275 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.909 -1.160 -0.809 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.792 -3.758 -0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.308 -2.893 -0.257 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.512 -2.113 -2.550 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.316 -3.666 -2.665 1.00 0.00 H new ATOM 372 N GLU A 74 -6.244 -0.845 1.478 1.00 0.00 N ATOM 373 CA GLU A 74 -7.223 0.150 2.013 1.00 0.00 C ATOM 374 C GLU A 74 -6.469 1.365 2.554 1.00 0.00 C ATOM 375 O GLU A 74 -6.943 2.483 2.491 1.00 0.00 O ATOM 376 CB GLU A 74 -7.967 -0.574 3.142 1.00 0.00 C ATOM 377 CG GLU A 74 -9.476 -0.377 2.977 1.00 0.00 C ATOM 378 CD GLU A 74 -10.058 -1.540 2.171 1.00 0.00 C ATOM 379 OE1 GLU A 74 -10.042 -2.651 2.674 1.00 0.00 O ATOM 380 OE2 GLU A 74 -10.510 -1.300 1.063 1.00 0.00 O ATOM 0 H GLU A 74 -6.176 -1.714 2.009 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.914 0.508 1.250 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.726 -1.637 3.126 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.644 -0.188 4.109 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.955 -0.322 3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.677 0.567 2.470 1.00 0.00 H new ATOM 387 N LYS A 75 -5.290 1.145 3.077 1.00 0.00 N ATOM 388 CA LYS A 75 -4.483 2.277 3.620 1.00 0.00 C ATOM 389 C LYS A 75 -4.042 3.193 2.476 1.00 0.00 C ATOM 390 O LYS A 75 -3.968 4.397 2.628 1.00 0.00 O ATOM 391 CB LYS A 75 -3.269 1.625 4.286 1.00 0.00 C ATOM 392 CG LYS A 75 -2.754 2.528 5.408 1.00 0.00 C ATOM 393 CD LYS A 75 -1.710 3.495 4.846 1.00 0.00 C ATOM 394 CE LYS A 75 -1.416 4.586 5.878 1.00 0.00 C ATOM 395 NZ LYS A 75 -0.749 3.879 7.006 1.00 0.00 N ATOM 0 H LYS A 75 -4.851 0.227 3.151 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.047 2.888 4.325 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.542 0.649 4.687 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.483 1.459 3.549 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.581 3.085 5.849 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.316 1.924 6.203 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.795 2.956 4.600 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.074 3.943 3.921 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.772 5.360 5.461 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.333 5.076 6.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.222 4.565 7.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.467 3.410 7.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.092 3.167 6.629 1.00 0.00 H new ATOM 409 N LEU A 76 -3.758 2.625 1.330 1.00 0.00 N ATOM 410 CA LEU A 76 -3.331 3.458 0.166 1.00 0.00 C ATOM 411 C LEU A 76 -4.523 4.256 -0.362 1.00 0.00 C ATOM 412 O LEU A 76 -4.374 5.359 -0.856 1.00 0.00 O ATOM 413 CB LEU A 76 -2.842 2.462 -0.888 1.00 0.00 C ATOM 414 CG LEU A 76 -2.312 3.223 -2.105 1.00 0.00 C ATOM 415 CD1 LEU A 76 -0.882 3.693 -1.828 1.00 0.00 C ATOM 416 CD2 LEU A 76 -2.317 2.300 -3.325 1.00 0.00 C ATOM 0 H LEU A 76 -3.804 1.622 1.151 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.553 4.174 0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.057 1.831 -0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.657 1.802 -1.185 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.948 4.086 -2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.503 4.235 -2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.877 4.350 -0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.246 2.829 -1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.940 2.841 -4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.680 1.437 -3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.335 1.963 -3.522 1.00 0.00 H new ATOM 428 N LEU A 77 -5.705 3.707 -0.249 1.00 0.00 N ATOM 429 CA LEU A 77 -6.921 4.428 -0.731 1.00 0.00 C ATOM 430 C LEU A 77 -7.242 5.581 0.218 1.00 0.00 C ATOM 431 O LEU A 77 -7.631 6.655 -0.203 1.00 0.00 O ATOM 432 CB LEU A 77 -8.042 3.385 -0.717 1.00 0.00 C ATOM 433 CG LEU A 77 -8.887 3.521 -1.986 1.00 0.00 C ATOM 434 CD1 LEU A 77 -9.408 2.144 -2.402 1.00 0.00 C ATOM 435 CD2 LEU A 77 -10.070 4.451 -1.713 1.00 0.00 C ATOM 0 H LEU A 77 -5.881 2.788 0.157 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.787 4.855 -1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.619 2.382 -0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.668 3.521 0.165 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.275 3.936 -2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -10.010 2.240 -3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.566 1.480 -2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -10.020 1.729 -1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.672 4.548 -2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.682 4.036 -0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.700 5.432 -1.416 1.00 0.00 H new ATOM 447 N ALA A 78 -7.070 5.365 1.497 1.00 0.00 N ATOM 448 CA ALA A 78 -7.351 6.448 2.487 1.00 0.00 C ATOM 449 C ALA A 78 -6.354 7.592 2.298 1.00 0.00 C ATOM 450 O ALA A 78 -6.664 8.744 2.539 1.00 0.00 O ATOM 451 CB ALA A 78 -7.169 5.801 3.861 1.00 0.00 C ATOM 0 H ALA A 78 -6.747 4.485 1.899 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.351 6.865 2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.360 6.540 4.639 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.868 4.972 3.968 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.149 5.429 3.956 1.00 0.00 H new ATOM 457 N LEU A 79 -5.162 7.278 1.860 1.00 0.00 N ATOM 458 CA LEU A 79 -4.133 8.341 1.642 1.00 0.00 C ATOM 459 C LEU A 79 -4.523 9.198 0.436 1.00 0.00 C ATOM 460 O LEU A 79 -4.488 10.413 0.492 1.00 0.00 O ATOM 461 CB LEU A 79 -2.819 7.589 1.374 1.00 0.00 C ATOM 462 CG LEU A 79 -1.865 7.728 2.571 1.00 0.00 C ATOM 463 CD1 LEU A 79 -1.512 9.204 2.789 1.00 0.00 C ATOM 464 CD2 LEU A 79 -2.527 7.164 3.834 1.00 0.00 C ATOM 0 H LEU A 79 -4.855 6.330 1.643 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.041 9.011 2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.028 6.535 1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.344 7.983 0.475 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.953 7.168 2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.836 9.295 3.639 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.027 9.598 1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.422 9.770 2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.845 7.266 4.678 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.445 7.714 4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.762 6.110 3.682 1.00 0.00 H new ATOM 476 N GLN A 80 -4.901 8.571 -0.650 1.00 0.00 N ATOM 477 CA GLN A 80 -5.304 9.347 -1.863 1.00 0.00 C ATOM 478 C GLN A 80 -6.559 10.163 -1.556 1.00 0.00 C ATOM 479 O GLN A 80 -6.760 11.237 -2.093 1.00 0.00 O ATOM 480 CB GLN A 80 -5.593 8.299 -2.940 1.00 0.00 C ATOM 481 CG GLN A 80 -5.328 8.901 -4.321 1.00 0.00 C ATOM 482 CD GLN A 80 -4.799 7.815 -5.259 1.00 0.00 C ATOM 483 OE1 GLN A 80 -5.366 6.744 -5.350 1.00 0.00 O ATOM 484 NE2 GLN A 80 -3.726 8.046 -5.965 1.00 0.00 N ATOM 0 H GLN A 80 -4.948 7.557 -0.749 1.00 0.00 H new ATOM 0 HA GLN A 80 -4.532 10.046 -2.185 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -4.964 7.422 -2.787 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.628 7.965 -2.869 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.245 9.329 -4.725 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -4.605 9.713 -4.243 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.249 8.945 -5.889 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -3.364 7.328 -6.592 1.00 0.00 H new ATOM 493 N GLU A 81 -7.398 9.662 -0.685 1.00 0.00 N ATOM 494 CA GLU A 81 -8.643 10.405 -0.325 1.00 0.00 C ATOM 495 C GLU A 81 -8.280 11.705 0.397 1.00 0.00 C ATOM 496 O GLU A 81 -8.992 12.688 0.319 1.00 0.00 O ATOM 497 CB GLU A 81 -9.418 9.472 0.607 1.00 0.00 C ATOM 498 CG GLU A 81 -10.859 9.966 0.745 1.00 0.00 C ATOM 499 CD GLU A 81 -11.687 9.468 -0.441 1.00 0.00 C ATOM 500 OE1 GLU A 81 -11.190 9.530 -1.553 1.00 0.00 O ATOM 501 OE2 GLU A 81 -12.804 9.033 -0.217 1.00 0.00 O ATOM 0 H GLU A 81 -7.274 8.769 -0.207 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.232 10.674 -1.202 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.407 8.456 0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.939 9.439 1.586 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.290 9.606 1.679 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.879 11.055 0.784 1.00 0.00 H new ATOM 508 N GLU A 82 -7.171 11.713 1.094 1.00 0.00 N ATOM 509 CA GLU A 82 -6.748 12.949 1.822 1.00 0.00 C ATOM 510 C GLU A 82 -6.447 14.064 0.814 1.00 0.00 C ATOM 511 O GLU A 82 -6.904 15.182 0.961 1.00 0.00 O ATOM 512 CB GLU A 82 -5.481 12.558 2.598 1.00 0.00 C ATOM 513 CG GLU A 82 -5.680 12.840 4.090 1.00 0.00 C ATOM 514 CD GLU A 82 -4.317 12.931 4.780 1.00 0.00 C ATOM 515 OE1 GLU A 82 -3.817 11.900 5.197 1.00 0.00 O ATOM 516 OE2 GLU A 82 -3.797 14.030 4.877 1.00 0.00 O ATOM 0 H GLU A 82 -6.540 10.917 1.190 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.523 13.320 2.493 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.261 11.502 2.444 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.626 13.120 2.223 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.230 13.771 4.224 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.277 12.049 4.544 1.00 0.00 H new ATOM 523 N LYS A 83 -5.690 13.760 -0.210 1.00 0.00 N ATOM 524 CA LYS A 83 -5.364 14.798 -1.236 1.00 0.00 C ATOM 525 C LYS A 83 -6.649 15.256 -1.930 1.00 0.00 C ATOM 526 O LYS A 83 -6.766 16.390 -2.352 1.00 0.00 O ATOM 527 CB LYS A 83 -4.431 14.108 -2.233 1.00 0.00 C ATOM 528 CG LYS A 83 -3.981 15.115 -3.294 1.00 0.00 C ATOM 529 CD LYS A 83 -2.640 15.725 -2.882 1.00 0.00 C ATOM 530 CE LYS A 83 -2.252 16.823 -3.876 1.00 0.00 C ATOM 531 NZ LYS A 83 -1.714 16.097 -5.060 1.00 0.00 N ATOM 0 H LYS A 83 -5.284 12.840 -0.380 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.897 15.680 -0.799 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.564 13.700 -1.713 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.943 13.270 -2.706 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.886 14.622 -4.262 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.730 15.899 -3.407 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.710 16.139 -1.876 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.870 14.954 -2.857 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.113 17.434 -4.145 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.505 17.494 -3.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.701 16.306 -5.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.844 15.074 -4.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.221 16.403 -5.915 1.00 0.00 H new ATOM 545 N HIS A 84 -7.611 14.377 -2.043 1.00 0.00 N ATOM 546 CA HIS A 84 -8.900 14.749 -2.701 1.00 0.00 C ATOM 547 C HIS A 84 -9.615 15.818 -1.874 1.00 0.00 C ATOM 548 O HIS A 84 -10.273 16.692 -2.408 1.00 0.00 O ATOM 549 CB HIS A 84 -9.723 13.461 -2.742 1.00 0.00 C ATOM 550 CG HIS A 84 -10.976 13.691 -3.541 1.00 0.00 C ATOM 551 ND1 HIS A 84 -11.211 13.053 -4.749 1.00 0.00 N ATOM 552 CD2 HIS A 84 -12.072 14.487 -3.318 1.00 0.00 C ATOM 553 CE1 HIS A 84 -12.405 13.473 -5.203 1.00 0.00 C ATOM 554 NE2 HIS A 84 -12.974 14.348 -4.369 1.00 0.00 N ATOM 0 H HIS A 84 -7.560 13.415 -1.707 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.750 15.159 -3.700 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -9.137 12.657 -3.188 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.977 13.147 -1.730 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -12.213 15.124 -2.458 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -12.850 13.143 -6.130 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -13.875 14.814 -4.479 1.00 0.00 H new ATOM 562 N GLN A 85 -9.483 15.754 -0.575 1.00 0.00 N ATOM 563 CA GLN A 85 -10.146 16.768 0.301 1.00 0.00 C ATOM 564 C GLN A 85 -9.451 18.122 0.142 1.00 0.00 C ATOM 565 O GLN A 85 -10.087 19.160 0.142 1.00 0.00 O ATOM 566 CB GLN A 85 -9.980 16.243 1.729 1.00 0.00 C ATOM 567 CG GLN A 85 -11.167 16.695 2.581 1.00 0.00 C ATOM 568 CD GLN A 85 -12.319 15.701 2.423 1.00 0.00 C ATOM 569 OE1 GLN A 85 -12.390 14.718 3.133 1.00 0.00 O ATOM 570 NE2 GLN A 85 -13.232 15.918 1.516 1.00 0.00 N ATOM 0 H GLN A 85 -8.944 15.043 -0.081 1.00 0.00 H new ATOM 0 HA GLN A 85 -11.196 16.910 0.047 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.917 15.155 1.723 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -9.049 16.614 2.158 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.872 16.762 3.628 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -11.488 17.691 2.276 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -13.172 16.743 0.920 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -14.005 15.262 1.403 1.00 0.00 H new ATOM 579 N LEU A 86 -8.151 18.112 -0.005 1.00 0.00 N ATOM 580 CA LEU A 86 -7.402 19.395 -0.176 1.00 0.00 C ATOM 581 C LEU A 86 -7.792 20.049 -1.504 1.00 0.00 C ATOM 582 O LEU A 86 -7.768 21.258 -1.641 1.00 0.00 O ATOM 583 CB LEU A 86 -5.922 19.002 -0.185 1.00 0.00 C ATOM 584 CG LEU A 86 -5.314 19.257 1.196 1.00 0.00 C ATOM 585 CD1 LEU A 86 -4.263 18.186 1.498 1.00 0.00 C ATOM 586 CD2 LEU A 86 -4.654 20.638 1.215 1.00 0.00 C ATOM 0 H LEU A 86 -7.575 17.271 -0.014 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.622 20.112 0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.816 17.950 -0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.387 19.577 -0.941 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.099 19.218 1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.830 18.368 2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.732 17.202 1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.477 18.224 0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.221 20.821 2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.869 20.677 0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.402 21.402 1.001 1.00 0.00 H new ATOM 598 N PHE A 87 -8.155 19.255 -2.481 1.00 0.00 N ATOM 599 CA PHE A 87 -8.553 19.822 -3.807 1.00 0.00 C ATOM 600 C PHE A 87 -9.853 20.620 -3.662 1.00 0.00 C ATOM 601 O PHE A 87 -10.090 21.570 -4.385 1.00 0.00 O ATOM 602 CB PHE A 87 -8.760 18.608 -4.726 1.00 0.00 C ATOM 603 CG PHE A 87 -7.926 18.763 -5.977 1.00 0.00 C ATOM 604 CD1 PHE A 87 -8.441 19.452 -7.081 1.00 0.00 C ATOM 605 CD2 PHE A 87 -6.637 18.217 -6.031 1.00 0.00 C ATOM 606 CE1 PHE A 87 -7.668 19.595 -8.240 1.00 0.00 C ATOM 607 CE2 PHE A 87 -5.864 18.361 -7.190 1.00 0.00 C ATOM 608 CZ PHE A 87 -6.380 19.051 -8.295 1.00 0.00 C ATOM 0 H PHE A 87 -8.193 18.238 -2.418 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.801 20.502 -4.208 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.481 17.693 -4.203 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -9.814 18.516 -4.990 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -9.435 19.873 -7.039 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.239 17.685 -5.179 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.066 20.126 -9.092 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.870 17.940 -7.232 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.784 19.163 -9.189 1.00 0.00 H new ATOM 618 N LEU A 88 -10.688 20.241 -2.729 1.00 0.00 N ATOM 619 CA LEU A 88 -11.974 20.976 -2.526 1.00 0.00 C ATOM 620 C LEU A 88 -11.715 22.293 -1.792 1.00 0.00 C ATOM 621 O LEU A 88 -12.436 23.259 -1.959 1.00 0.00 O ATOM 622 CB LEU A 88 -12.837 20.045 -1.671 1.00 0.00 C ATOM 623 CG LEU A 88 -13.735 19.206 -2.581 1.00 0.00 C ATOM 624 CD1 LEU A 88 -12.939 18.023 -3.135 1.00 0.00 C ATOM 625 CD2 LEU A 88 -14.928 18.684 -1.776 1.00 0.00 C ATOM 0 H LEU A 88 -10.535 19.454 -2.098 1.00 0.00 H new ATOM 0 HA LEU A 88 -12.460 21.226 -3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -12.203 19.395 -1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.445 20.628 -0.979 1.00 0.00 H new ATOM 0 HG LEU A 88 -14.092 19.822 -3.407 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -13.579 17.425 -3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -12.088 18.393 -3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -12.582 17.407 -2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.570 18.086 -2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.569 18.068 -0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.496 19.526 -1.380 1.00 0.00 H new ATOM 637 N GLN A 89 -10.688 22.336 -0.981 1.00 0.00 N ATOM 638 CA GLN A 89 -10.369 23.588 -0.230 1.00 0.00 C ATOM 639 C GLN A 89 -9.307 24.420 -0.968 1.00 0.00 C ATOM 640 O GLN A 89 -8.896 25.461 -0.491 1.00 0.00 O ATOM 641 CB GLN A 89 -9.829 23.109 1.117 1.00 0.00 C ATOM 642 CG GLN A 89 -10.919 22.335 1.861 1.00 0.00 C ATOM 643 CD GLN A 89 -10.283 21.203 2.669 1.00 0.00 C ATOM 644 OE1 GLN A 89 -10.796 20.102 2.704 1.00 0.00 O ATOM 645 NE2 GLN A 89 -9.177 21.427 3.324 1.00 0.00 N ATOM 0 H GLN A 89 -10.055 21.555 -0.806 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.243 24.230 -0.124 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.957 22.473 0.965 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.503 23.961 1.713 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.467 23.005 2.523 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.640 21.929 1.151 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.745 22.351 3.295 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.744 20.678 3.865 1.00 0.00 H new ATOM 654 N LEU A 90 -8.856 23.976 -2.121 1.00 0.00 N ATOM 655 CA LEU A 90 -7.821 24.753 -2.874 1.00 0.00 C ATOM 656 C LEU A 90 -8.348 26.151 -3.211 1.00 0.00 C ATOM 657 O LEU A 90 -9.066 26.272 -4.190 1.00 0.00 O ATOM 658 CB LEU A 90 -7.565 23.953 -4.156 1.00 0.00 C ATOM 659 CG LEU A 90 -6.474 24.637 -4.983 1.00 0.00 C ATOM 660 CD1 LEU A 90 -5.150 24.608 -4.214 1.00 0.00 C ATOM 661 CD2 LEU A 90 -6.307 23.900 -6.313 1.00 0.00 C ATOM 662 OXT LEU A 90 -8.025 27.077 -2.484 1.00 0.00 O ATOM 0 H LEU A 90 -9.160 23.112 -2.570 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.909 24.888 -2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.262 22.936 -3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.483 23.878 -4.739 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.759 25.672 -5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.375 25.096 -4.805 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.268 25.134 -3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.863 23.574 -4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.530 24.386 -6.903 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.024 22.865 -6.122 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.248 23.923 -6.862 1.00 0.00 H new ATOM 675 N GLY B 166 -10.400 29.631 0.399 1.00 0.00 N ATOM 676 CA GLY B 166 -8.984 29.173 0.454 1.00 0.00 C ATOM 677 C GLY B 166 -8.187 30.080 1.393 1.00 0.00 C ATOM 678 O GLY B 166 -8.644 30.429 2.466 1.00 0.00 O ATOM 0 HA2 GLY B 166 -8.938 28.141 0.803 1.00 0.00 H new ATOM 0 HA3 GLY B 166 -8.546 29.192 -0.544 1.00 0.00 H new ATOM 684 N LEU B 167 -7.001 30.463 0.997 1.00 0.00 N ATOM 685 CA LEU B 167 -6.163 31.353 1.864 1.00 0.00 C ATOM 686 C LEU B 167 -5.320 32.305 1.001 1.00 0.00 C ATOM 687 O LEU B 167 -5.665 33.460 0.835 1.00 0.00 O ATOM 688 CB LEU B 167 -5.259 30.439 2.731 1.00 0.00 C ATOM 689 CG LEU B 167 -4.873 29.134 2.001 1.00 0.00 C ATOM 690 CD1 LEU B 167 -3.406 28.799 2.284 1.00 0.00 C ATOM 691 CD2 LEU B 167 -5.760 27.989 2.497 1.00 0.00 C ATOM 0 H LEU B 167 -6.573 30.199 0.109 1.00 0.00 H new ATOM 0 HA LEU B 167 -6.792 31.973 2.503 1.00 0.00 H new ATOM 0 HB2 LEU B 167 -4.354 30.981 3.004 1.00 0.00 H new ATOM 0 HB3 LEU B 167 -5.777 30.194 3.659 1.00 0.00 H new ATOM 0 HG LEU B 167 -5.014 29.267 0.928 1.00 0.00 H new ATOM 0 HD11 LEU B 167 -3.137 27.878 1.767 1.00 0.00 H new ATOM 0 HD12 LEU B 167 -2.772 29.612 1.930 1.00 0.00 H new ATOM 0 HD13 LEU B 167 -3.263 28.669 3.357 1.00 0.00 H new ATOM 0 HD21 LEU B 167 -5.487 27.068 1.982 1.00 0.00 H new ATOM 0 HD22 LEU B 167 -5.620 27.859 3.570 1.00 0.00 H new ATOM 0 HD23 LEU B 167 -6.805 28.223 2.293 1.00 0.00 H new ATOM 703 N SER B 168 -4.223 31.838 0.453 1.00 0.00 N ATOM 704 CA SER B 168 -3.369 32.725 -0.393 1.00 0.00 C ATOM 705 C SER B 168 -2.955 32.011 -1.685 1.00 0.00 C ATOM 706 O SER B 168 -2.003 32.400 -2.333 1.00 0.00 O ATOM 707 CB SER B 168 -2.142 33.022 0.466 1.00 0.00 C ATOM 708 OG SER B 168 -1.286 33.917 -0.230 1.00 0.00 O ATOM 0 H SER B 168 -3.884 30.881 0.556 1.00 0.00 H new ATOM 0 HA SER B 168 -3.895 33.631 -0.693 1.00 0.00 H new ATOM 0 HB2 SER B 168 -2.447 33.458 1.417 1.00 0.00 H new ATOM 0 HB3 SER B 168 -1.612 32.098 0.695 1.00 0.00 H new ATOM 0 HG SER B 168 -1.199 33.628 -1.162 1.00 0.00 H new ATOM 714 N LYS B 169 -3.655 30.962 -2.063 1.00 0.00 N ATOM 715 CA LYS B 169 -3.295 30.211 -3.314 1.00 0.00 C ATOM 716 C LYS B 169 -1.803 29.853 -3.317 1.00 0.00 C ATOM 717 O LYS B 169 -1.196 29.683 -4.357 1.00 0.00 O ATOM 718 CB LYS B 169 -3.627 31.160 -4.467 1.00 0.00 C ATOM 719 CG LYS B 169 -3.707 30.368 -5.776 1.00 0.00 C ATOM 720 CD LYS B 169 -4.884 29.391 -5.715 1.00 0.00 C ATOM 721 CE LYS B 169 -5.311 29.016 -7.136 1.00 0.00 C ATOM 722 NZ LYS B 169 -6.437 29.938 -7.454 1.00 0.00 N ATOM 0 H LYS B 169 -4.461 30.594 -1.558 1.00 0.00 H new ATOM 0 HA LYS B 169 -3.842 29.271 -3.395 1.00 0.00 H new ATOM 0 HB2 LYS B 169 -4.575 31.663 -4.276 1.00 0.00 H new ATOM 0 HB3 LYS B 169 -2.865 31.935 -4.545 1.00 0.00 H new ATOM 0 HG2 LYS B 169 -3.830 31.049 -6.618 1.00 0.00 H new ATOM 0 HG3 LYS B 169 -2.777 29.823 -5.940 1.00 0.00 H new ATOM 0 HD2 LYS B 169 -4.599 28.496 -5.161 1.00 0.00 H new ATOM 0 HD3 LYS B 169 -5.719 29.844 -5.181 1.00 0.00 H new ATOM 0 HE2 LYS B 169 -4.489 29.139 -7.841 1.00 0.00 H new ATOM 0 HE3 LYS B 169 -5.626 27.974 -7.192 1.00 0.00 H new ATOM 0 HZ1 LYS B 169 -6.785 29.743 -8.414 1.00 0.00 H new ATOM 0 HZ2 LYS B 169 -7.207 29.794 -6.770 1.00 0.00 H new ATOM 0 HZ3 LYS B 169 -6.106 30.922 -7.399 1.00 0.00 H new ATOM 736 N GLU B 170 -1.215 29.742 -2.154 1.00 0.00 N ATOM 737 CA GLU B 170 0.231 29.399 -2.063 1.00 0.00 C ATOM 738 C GLU B 170 0.483 28.596 -0.789 1.00 0.00 C ATOM 739 O GLU B 170 1.148 27.577 -0.811 1.00 0.00 O ATOM 740 CB GLU B 170 0.958 30.744 -2.009 1.00 0.00 C ATOM 741 CG GLU B 170 2.448 30.529 -2.277 1.00 0.00 C ATOM 742 CD GLU B 170 3.032 31.776 -2.943 1.00 0.00 C ATOM 743 OE1 GLU B 170 2.682 32.033 -4.084 1.00 0.00 O ATOM 744 OE2 GLU B 170 3.818 32.453 -2.302 1.00 0.00 O ATOM 0 H GLU B 170 -1.681 29.876 -1.257 1.00 0.00 H new ATOM 0 HA GLU B 170 0.574 28.794 -2.902 1.00 0.00 H new ATOM 0 HB2 GLU B 170 0.539 31.426 -2.749 1.00 0.00 H new ATOM 0 HB3 GLU B 170 0.816 31.207 -1.033 1.00 0.00 H new ATOM 0 HG2 GLU B 170 2.971 30.324 -1.343 1.00 0.00 H new ATOM 0 HG3 GLU B 170 2.591 29.660 -2.919 1.00 0.00 H new ATOM 751 N GLU B 171 -0.053 29.043 0.320 1.00 0.00 N ATOM 752 CA GLU B 171 0.143 28.297 1.595 1.00 0.00 C ATOM 753 C GLU B 171 -0.586 26.958 1.513 1.00 0.00 C ATOM 754 O GLU B 171 -0.142 25.962 2.056 1.00 0.00 O ATOM 755 CB GLU B 171 -0.459 29.183 2.691 1.00 0.00 C ATOM 756 CG GLU B 171 0.663 29.870 3.473 1.00 0.00 C ATOM 757 CD GLU B 171 1.338 28.855 4.398 1.00 0.00 C ATOM 758 OE1 GLU B 171 0.628 28.061 4.992 1.00 0.00 O ATOM 759 OE2 GLU B 171 2.553 28.890 4.496 1.00 0.00 O ATOM 0 H GLU B 171 -0.616 29.890 0.395 1.00 0.00 H new ATOM 0 HA GLU B 171 1.193 28.086 1.798 1.00 0.00 H new ATOM 0 HB2 GLU B 171 -1.117 29.930 2.247 1.00 0.00 H new ATOM 0 HB3 GLU B 171 -1.069 28.581 3.364 1.00 0.00 H new ATOM 0 HG2 GLU B 171 1.395 30.293 2.784 1.00 0.00 H new ATOM 0 HG3 GLU B 171 0.260 30.698 4.057 1.00 0.00 H new ATOM 766 N LEU B 172 -1.691 26.927 0.817 1.00 0.00 N ATOM 767 CA LEU B 172 -2.450 25.652 0.665 1.00 0.00 C ATOM 768 C LEU B 172 -1.767 24.783 -0.391 1.00 0.00 C ATOM 769 O LEU B 172 -1.829 23.569 -0.346 1.00 0.00 O ATOM 770 CB LEU B 172 -3.849 26.065 0.202 1.00 0.00 C ATOM 771 CG LEU B 172 -4.889 25.142 0.839 1.00 0.00 C ATOM 772 CD1 LEU B 172 -6.294 25.668 0.534 1.00 0.00 C ATOM 773 CD2 LEU B 172 -4.737 23.732 0.262 1.00 0.00 C ATOM 0 H LEU B 172 -2.102 27.733 0.346 1.00 0.00 H new ATOM 0 HA LEU B 172 -2.493 25.075 1.589 1.00 0.00 H new ATOM 0 HB2 LEU B 172 -4.046 27.100 0.482 1.00 0.00 H new ATOM 0 HB3 LEU B 172 -3.915 26.010 -0.885 1.00 0.00 H new ATOM 0 HG LEU B 172 -4.738 25.114 1.918 1.00 0.00 H new ATOM 0 HD11 LEU B 172 -7.035 25.010 0.988 1.00 0.00 H new ATOM 0 HD12 LEU B 172 -6.403 26.673 0.942 1.00 0.00 H new ATOM 0 HD13 LEU B 172 -6.446 25.696 -0.545 1.00 0.00 H new ATOM 0 HD21 LEU B 172 -5.477 23.072 0.714 1.00 0.00 H new ATOM 0 HD22 LEU B 172 -4.889 23.762 -0.817 1.00 0.00 H new ATOM 0 HD23 LEU B 172 -3.737 23.357 0.477 1.00 0.00 H new ATOM 785 N ILE B 173 -1.101 25.405 -1.334 1.00 0.00 N ATOM 786 CA ILE B 173 -0.394 24.628 -2.395 1.00 0.00 C ATOM 787 C ILE B 173 0.788 23.881 -1.772 1.00 0.00 C ATOM 788 O ILE B 173 1.164 22.814 -2.220 1.00 0.00 O ATOM 789 CB ILE B 173 0.102 25.669 -3.408 1.00 0.00 C ATOM 790 CG1 ILE B 173 -1.084 26.481 -3.960 1.00 0.00 C ATOM 791 CG2 ILE B 173 0.820 24.962 -4.562 1.00 0.00 C ATOM 792 CD1 ILE B 173 -2.092 25.556 -4.652 1.00 0.00 C ATOM 0 H ILE B 173 -1.018 26.419 -1.413 1.00 0.00 H new ATOM 0 HA ILE B 173 -1.040 23.890 -2.870 1.00 0.00 H new ATOM 0 HB ILE B 173 0.794 26.347 -2.908 1.00 0.00 H new ATOM 0 HG12 ILE B 173 -1.573 27.019 -3.148 1.00 0.00 H new ATOM 0 HG13 ILE B 173 -0.723 27.229 -4.666 1.00 0.00 H new ATOM 0 HG21 ILE B 173 1.171 25.703 -5.280 1.00 0.00 H new ATOM 0 HG22 ILE B 173 1.670 24.402 -4.173 1.00 0.00 H new ATOM 0 HG23 ILE B 173 0.130 24.278 -5.055 1.00 0.00 H new ATOM 0 HD11 ILE B 173 -2.924 26.147 -5.036 1.00 0.00 H new ATOM 0 HD12 ILE B 173 -1.603 25.038 -5.477 1.00 0.00 H new ATOM 0 HD13 ILE B 173 -2.467 24.825 -3.935 1.00 0.00 H new ATOM 804 N GLN B 174 1.373 24.438 -0.740 1.00 0.00 N ATOM 805 CA GLN B 174 2.529 23.763 -0.078 1.00 0.00 C ATOM 806 C GLN B 174 2.044 22.537 0.698 1.00 0.00 C ATOM 807 O GLN B 174 2.756 21.561 0.844 1.00 0.00 O ATOM 808 CB GLN B 174 3.116 24.805 0.876 1.00 0.00 C ATOM 809 CG GLN B 174 4.640 24.671 0.905 1.00 0.00 C ATOM 810 CD GLN B 174 5.245 25.459 -0.258 1.00 0.00 C ATOM 811 OE1 GLN B 174 5.352 24.954 -1.358 1.00 0.00 O ATOM 812 NE2 GLN B 174 5.649 26.684 -0.060 1.00 0.00 N ATOM 0 H GLN B 174 1.099 25.330 -0.329 1.00 0.00 H new ATOM 0 HA GLN B 174 3.270 23.416 -0.798 1.00 0.00 H new ATOM 0 HB2 GLN B 174 2.835 25.808 0.554 1.00 0.00 H new ATOM 0 HB3 GLN B 174 2.709 24.666 1.878 1.00 0.00 H new ATOM 0 HG2 GLN B 174 5.030 25.043 1.852 1.00 0.00 H new ATOM 0 HG3 GLN B 174 4.925 23.621 0.834 1.00 0.00 H new ATOM 0 HE21 GLN B 174 5.559 27.108 0.863 1.00 0.00 H new ATOM 0 HE22 GLN B 174 6.055 27.218 -0.829 1.00 0.00 H new ATOM 821 N ASN B 175 0.832 22.582 1.189 1.00 0.00 N ATOM 822 CA ASN B 175 0.284 21.420 1.952 1.00 0.00 C ATOM 823 C ASN B 175 -0.077 20.292 0.985 1.00 0.00 C ATOM 824 O ASN B 175 0.031 19.125 1.310 1.00 0.00 O ATOM 825 CB ASN B 175 -0.968 21.951 2.653 1.00 0.00 C ATOM 826 CG ASN B 175 -0.566 22.974 3.717 1.00 0.00 C ATOM 827 OD1 ASN B 175 0.546 22.953 4.210 1.00 0.00 O ATOM 828 ND2 ASN B 175 -1.429 23.877 4.096 1.00 0.00 N ATOM 0 H ASN B 175 0.197 23.375 1.094 1.00 0.00 H new ATOM 0 HA ASN B 175 1.001 21.016 2.666 1.00 0.00 H new ATOM 0 HB2 ASN B 175 -1.637 22.412 1.926 1.00 0.00 H new ATOM 0 HB3 ASN B 175 -1.516 21.129 3.113 1.00 0.00 H new ATOM 0 HD21 ASN B 175 -1.171 24.564 4.805 1.00 0.00 H new ATOM 0 HD22 ASN B 175 -2.362 23.896 3.684 1.00 0.00 H new ATOM 835 N MET B 176 -0.503 20.638 -0.202 1.00 0.00 N ATOM 836 CA MET B 176 -0.874 19.594 -1.207 1.00 0.00 C ATOM 837 C MET B 176 0.382 18.869 -1.696 1.00 0.00 C ATOM 838 O MET B 176 0.336 17.708 -2.057 1.00 0.00 O ATOM 839 CB MET B 176 -1.534 20.358 -2.359 1.00 0.00 C ATOM 840 CG MET B 176 -3.055 20.213 -2.271 1.00 0.00 C ATOM 841 SD MET B 176 -3.770 20.353 -3.928 1.00 0.00 S ATOM 842 CE MET B 176 -5.257 21.267 -3.455 1.00 0.00 C ATOM 0 H MET B 176 -0.611 21.601 -0.521 1.00 0.00 H new ATOM 0 HA MET B 176 -1.540 18.839 -0.790 1.00 0.00 H new ATOM 0 HB2 MET B 176 -1.257 21.411 -2.316 1.00 0.00 H new ATOM 0 HB3 MET B 176 -1.177 19.974 -3.314 1.00 0.00 H new ATOM 0 HG2 MET B 176 -3.315 19.250 -1.831 1.00 0.00 H new ATOM 0 HG3 MET B 176 -3.468 20.983 -1.619 1.00 0.00 H new ATOM 0 HE1 MET B 176 -5.749 21.650 -4.349 1.00 0.00 H new ATOM 0 HE2 MET B 176 -5.938 20.603 -2.922 1.00 0.00 H new ATOM 0 HE3 MET B 176 -4.982 22.100 -2.808 1.00 0.00 H new ATOM 852 N ASP B 177 1.502 19.547 -1.708 1.00 0.00 N ATOM 853 CA ASP B 177 2.768 18.900 -2.172 1.00 0.00 C ATOM 854 C ASP B 177 3.275 17.922 -1.113 1.00 0.00 C ATOM 855 O ASP B 177 3.826 16.883 -1.427 1.00 0.00 O ATOM 856 CB ASP B 177 3.761 20.048 -2.365 1.00 0.00 C ATOM 857 CG ASP B 177 4.942 19.565 -3.207 1.00 0.00 C ATOM 858 OD1 ASP B 177 5.358 18.434 -3.015 1.00 0.00 O ATOM 859 OD2 ASP B 177 5.411 20.334 -4.031 1.00 0.00 O ATOM 0 H ASP B 177 1.595 20.520 -1.417 1.00 0.00 H new ATOM 0 HA ASP B 177 2.627 18.331 -3.091 1.00 0.00 H new ATOM 0 HB2 ASP B 177 3.270 20.889 -2.856 1.00 0.00 H new ATOM 0 HB3 ASP B 177 4.113 20.405 -1.397 1.00 0.00 H new ATOM 864 N ARG B 178 3.086 18.247 0.140 1.00 0.00 N ATOM 865 CA ARG B 178 3.548 17.338 1.231 1.00 0.00 C ATOM 866 C ARG B 178 2.601 16.143 1.348 1.00 0.00 C ATOM 867 O ARG B 178 3.000 15.057 1.723 1.00 0.00 O ATOM 868 CB ARG B 178 3.509 18.184 2.505 1.00 0.00 C ATOM 869 CG ARG B 178 4.612 19.246 2.451 1.00 0.00 C ATOM 870 CD ARG B 178 5.210 19.437 3.848 1.00 0.00 C ATOM 871 NE ARG B 178 4.089 19.951 4.681 1.00 0.00 N ATOM 872 CZ ARG B 178 4.310 20.879 5.571 1.00 0.00 C ATOM 873 NH1 ARG B 178 4.496 22.115 5.193 1.00 0.00 N ATOM 874 NH2 ARG B 178 4.345 20.573 6.839 1.00 0.00 N ATOM 0 H ARG B 178 2.631 19.104 0.455 1.00 0.00 H new ATOM 0 HA ARG B 178 4.546 16.940 1.044 1.00 0.00 H new ATOM 0 HB2 ARG B 178 2.535 18.662 2.606 1.00 0.00 H new ATOM 0 HB3 ARG B 178 3.645 17.548 3.380 1.00 0.00 H new ATOM 0 HG2 ARG B 178 5.389 18.942 1.750 1.00 0.00 H new ATOM 0 HG3 ARG B 178 4.205 20.189 2.086 1.00 0.00 H new ATOM 0 HD2 ARG B 178 5.597 18.498 4.243 1.00 0.00 H new ATOM 0 HD3 ARG B 178 6.042 20.141 3.828 1.00 0.00 H new ATOM 0 HE ARG B 178 3.148 19.578 4.556 1.00 0.00 H new ATOM 0 HH11 ARG B 178 4.468 22.355 4.202 1.00 0.00 H new ATOM 0 HH12 ARG B 178 4.669 22.841 5.889 1.00 0.00 H new ATOM 0 HH21 ARG B 178 4.200 19.608 7.135 1.00 0.00 H new ATOM 0 HH22 ARG B 178 4.518 21.299 7.534 1.00 0.00 H new ATOM 888 N VAL B 179 1.349 16.338 1.020 1.00 0.00 N ATOM 889 CA VAL B 179 0.365 15.217 1.100 1.00 0.00 C ATOM 890 C VAL B 179 0.569 14.267 -0.084 1.00 0.00 C ATOM 891 O VAL B 179 0.321 13.080 0.014 1.00 0.00 O ATOM 892 CB VAL B 179 -1.016 15.883 1.034 1.00 0.00 C ATOM 893 CG1 VAL B 179 -2.110 14.813 1.096 1.00 0.00 C ATOM 894 CG2 VAL B 179 -1.180 16.840 2.220 1.00 0.00 C ATOM 0 H VAL B 179 0.965 17.227 0.700 1.00 0.00 H new ATOM 0 HA VAL B 179 0.478 14.627 2.009 1.00 0.00 H new ATOM 0 HB VAL B 179 -1.102 16.437 0.099 1.00 0.00 H new ATOM 0 HG11 VAL B 179 -3.089 15.290 1.049 1.00 0.00 H new ATOM 0 HG12 VAL B 179 -1.999 14.130 0.254 1.00 0.00 H new ATOM 0 HG13 VAL B 179 -2.022 14.257 2.029 1.00 0.00 H new ATOM 0 HG21 VAL B 179 -2.161 17.313 2.173 1.00 0.00 H new ATOM 0 HG22 VAL B 179 -1.090 16.283 3.152 1.00 0.00 H new ATOM 0 HG23 VAL B 179 -0.406 17.606 2.179 1.00 0.00 H new ATOM 904 N ASP B 180 1.025 14.784 -1.197 1.00 0.00 N ATOM 905 CA ASP B 180 1.255 13.915 -2.391 1.00 0.00 C ATOM 906 C ASP B 180 2.529 13.094 -2.197 1.00 0.00 C ATOM 907 O ASP B 180 2.609 11.949 -2.603 1.00 0.00 O ATOM 908 CB ASP B 180 1.407 14.879 -3.569 1.00 0.00 C ATOM 909 CG ASP B 180 1.173 14.125 -4.879 1.00 0.00 C ATOM 910 OD1 ASP B 180 0.199 13.393 -4.952 1.00 0.00 O ATOM 911 OD2 ASP B 180 1.971 14.292 -5.786 1.00 0.00 O ATOM 0 H ASP B 180 1.248 15.770 -1.330 1.00 0.00 H new ATOM 0 HA ASP B 180 0.440 13.210 -2.554 1.00 0.00 H new ATOM 0 HB2 ASP B 180 0.694 15.698 -3.476 1.00 0.00 H new ATOM 0 HB3 ASP B 180 2.403 15.321 -3.565 1.00 0.00 H new ATOM 916 N ARG B 181 3.521 13.670 -1.570 1.00 0.00 N ATOM 917 CA ARG B 181 4.795 12.927 -1.333 1.00 0.00 C ATOM 918 C ARG B 181 4.573 11.846 -0.271 1.00 0.00 C ATOM 919 O ARG B 181 5.233 10.824 -0.265 1.00 0.00 O ATOM 920 CB ARG B 181 5.794 13.978 -0.835 1.00 0.00 C ATOM 921 CG ARG B 181 6.783 14.321 -1.954 1.00 0.00 C ATOM 922 CD ARG B 181 7.118 15.814 -1.904 1.00 0.00 C ATOM 923 NE ARG B 181 8.223 15.992 -2.888 1.00 0.00 N ATOM 924 CZ ARG B 181 7.982 16.539 -4.048 1.00 0.00 C ATOM 925 NH1 ARG B 181 7.024 16.074 -4.803 1.00 0.00 N ATOM 926 NH2 ARG B 181 8.699 17.550 -4.454 1.00 0.00 N ATOM 0 H ARG B 181 3.504 14.625 -1.211 1.00 0.00 H new ATOM 0 HA ARG B 181 5.157 12.428 -2.232 1.00 0.00 H new ATOM 0 HB2 ARG B 181 5.264 14.876 -0.517 1.00 0.00 H new ATOM 0 HB3 ARG B 181 6.331 13.600 0.035 1.00 0.00 H new ATOM 0 HG2 ARG B 181 7.692 13.730 -1.843 1.00 0.00 H new ATOM 0 HG3 ARG B 181 6.354 14.067 -2.923 1.00 0.00 H new ATOM 0 HD2 ARG B 181 6.253 16.422 -2.167 1.00 0.00 H new ATOM 0 HD3 ARG B 181 7.427 16.116 -0.903 1.00 0.00 H new ATOM 0 HE ARG B 181 9.168 15.686 -2.655 1.00 0.00 H new ATOM 0 HH11 ARG B 181 6.463 15.283 -4.486 1.00 0.00 H new ATOM 0 HH12 ARG B 181 6.836 16.502 -5.710 1.00 0.00 H new ATOM 0 HH21 ARG B 181 9.448 17.913 -3.865 1.00 0.00 H new ATOM 0 HH22 ARG B 181 8.511 17.977 -5.361 1.00 0.00 H new ATOM 940 N GLU B 182 3.642 12.066 0.625 1.00 0.00 N ATOM 941 CA GLU B 182 3.365 11.052 1.688 1.00 0.00 C ATOM 942 C GLU B 182 2.704 9.819 1.073 1.00 0.00 C ATOM 943 O GLU B 182 2.912 8.705 1.519 1.00 0.00 O ATOM 944 CB GLU B 182 2.410 11.742 2.666 1.00 0.00 C ATOM 945 CG GLU B 182 2.619 11.173 4.070 1.00 0.00 C ATOM 946 CD GLU B 182 1.640 11.837 5.041 1.00 0.00 C ATOM 947 OE1 GLU B 182 0.446 11.703 4.831 1.00 0.00 O ATOM 948 OE2 GLU B 182 2.103 12.468 5.977 1.00 0.00 O ATOM 0 H GLU B 182 3.062 12.904 0.666 1.00 0.00 H new ATOM 0 HA GLU B 182 4.275 10.715 2.184 1.00 0.00 H new ATOM 0 HB2 GLU B 182 2.588 12.817 2.668 1.00 0.00 H new ATOM 0 HB3 GLU B 182 1.378 11.591 2.351 1.00 0.00 H new ATOM 0 HG2 GLU B 182 2.465 10.094 4.063 1.00 0.00 H new ATOM 0 HG3 GLU B 182 3.645 11.347 4.395 1.00 0.00 H new ATOM 955 N ILE B 183 1.913 10.010 0.047 1.00 0.00 N ATOM 956 CA ILE B 183 1.237 8.849 -0.610 1.00 0.00 C ATOM 957 C ILE B 183 2.269 8.013 -1.374 1.00 0.00 C ATOM 958 O ILE B 183 2.118 6.816 -1.529 1.00 0.00 O ATOM 959 CB ILE B 183 0.212 9.464 -1.569 1.00 0.00 C ATOM 960 CG1 ILE B 183 -0.790 10.306 -0.772 1.00 0.00 C ATOM 961 CG2 ILE B 183 -0.541 8.351 -2.304 1.00 0.00 C ATOM 962 CD1 ILE B 183 -1.579 11.205 -1.728 1.00 0.00 C ATOM 0 H ILE B 183 1.706 10.920 -0.364 1.00 0.00 H new ATOM 0 HA ILE B 183 0.757 8.185 0.109 1.00 0.00 H new ATOM 0 HB ILE B 183 0.730 10.093 -2.293 1.00 0.00 H new ATOM 0 HG12 ILE B 183 -1.471 9.656 -0.222 1.00 0.00 H new ATOM 0 HG13 ILE B 183 -0.265 10.914 -0.035 1.00 0.00 H new ATOM 0 HG21 ILE B 183 -1.269 8.792 -2.985 1.00 0.00 H new ATOM 0 HG22 ILE B 183 0.166 7.746 -2.871 1.00 0.00 H new ATOM 0 HG23 ILE B 183 -1.057 7.721 -1.580 1.00 0.00 H new ATOM 0 HD11 ILE B 183 -2.291 11.803 -1.160 1.00 0.00 H new ATOM 0 HD12 ILE B 183 -0.892 11.865 -2.258 1.00 0.00 H new ATOM 0 HD13 ILE B 183 -2.116 10.588 -2.448 1.00 0.00 H new ATOM 974 N THR B 184 3.320 8.638 -1.843 1.00 0.00 N ATOM 975 CA THR B 184 4.372 7.885 -2.592 1.00 0.00 C ATOM 976 C THR B 184 5.159 6.998 -1.626 1.00 0.00 C ATOM 977 O THR B 184 5.575 5.907 -1.971 1.00 0.00 O ATOM 978 CB THR B 184 5.281 8.956 -3.200 1.00 0.00 C ATOM 979 OG1 THR B 184 4.485 10.017 -3.709 1.00 0.00 O ATOM 980 CG2 THR B 184 6.105 8.345 -4.335 1.00 0.00 C ATOM 0 H THR B 184 3.495 9.638 -1.739 1.00 0.00 H new ATOM 0 HA THR B 184 3.950 7.235 -3.359 1.00 0.00 H new ATOM 0 HB THR B 184 5.953 9.341 -2.433 1.00 0.00 H new ATOM 0 HG1 THR B 184 5.066 10.704 -4.097 1.00 0.00 H new ATOM 0 HG21 THR B 184 6.752 9.109 -4.767 1.00 0.00 H new ATOM 0 HG22 THR B 184 6.716 7.531 -3.944 1.00 0.00 H new ATOM 0 HG23 THR B 184 5.436 7.959 -5.104 1.00 0.00 H new ATOM 988 N MET B 185 5.358 7.457 -0.417 1.00 0.00 N ATOM 989 CA MET B 185 6.111 6.642 0.584 1.00 0.00 C ATOM 990 C MET B 185 5.260 5.451 1.025 1.00 0.00 C ATOM 991 O MET B 185 5.738 4.337 1.121 1.00 0.00 O ATOM 992 CB MET B 185 6.370 7.584 1.762 1.00 0.00 C ATOM 993 CG MET B 185 7.776 8.177 1.645 1.00 0.00 C ATOM 994 SD MET B 185 7.847 9.282 0.213 1.00 0.00 S ATOM 995 CE MET B 185 9.536 8.883 -0.299 1.00 0.00 C ATOM 0 H MET B 185 5.031 8.362 -0.079 1.00 0.00 H new ATOM 0 HA MET B 185 7.041 6.244 0.179 1.00 0.00 H new ATOM 0 HB2 MET B 185 5.627 8.382 1.773 1.00 0.00 H new ATOM 0 HB3 MET B 185 6.270 7.043 2.703 1.00 0.00 H new ATOM 0 HG2 MET B 185 8.028 8.724 2.553 1.00 0.00 H new ATOM 0 HG3 MET B 185 8.511 7.379 1.539 1.00 0.00 H new ATOM 0 HE1 MET B 185 9.795 9.464 -1.184 1.00 0.00 H new ATOM 0 HE2 MET B 185 10.228 9.125 0.508 1.00 0.00 H new ATOM 0 HE3 MET B 185 9.605 7.820 -0.530 1.00 0.00 H new ATOM 1005 N VAL B 186 3.996 5.680 1.284 1.00 0.00 N ATOM 1006 CA VAL B 186 3.101 4.563 1.710 1.00 0.00 C ATOM 1007 C VAL B 186 2.825 3.648 0.515 1.00 0.00 C ATOM 1008 O VAL B 186 2.649 2.453 0.662 1.00 0.00 O ATOM 1009 CB VAL B 186 1.811 5.237 2.193 1.00 0.00 C ATOM 1010 CG1 VAL B 186 0.807 4.171 2.642 1.00 0.00 C ATOM 1011 CG2 VAL B 186 2.125 6.162 3.372 1.00 0.00 C ATOM 0 H VAL B 186 3.546 6.593 1.218 1.00 0.00 H new ATOM 0 HA VAL B 186 3.542 3.948 2.494 1.00 0.00 H new ATOM 0 HB VAL B 186 1.384 5.818 1.375 1.00 0.00 H new ATOM 0 HG11 VAL B 186 -0.108 4.654 2.984 1.00 0.00 H new ATOM 0 HG12 VAL B 186 0.578 3.512 1.805 1.00 0.00 H new ATOM 0 HG13 VAL B 186 1.236 3.587 3.457 1.00 0.00 H new ATOM 0 HG21 VAL B 186 1.207 6.640 3.714 1.00 0.00 H new ATOM 0 HG22 VAL B 186 2.556 5.580 4.186 1.00 0.00 H new ATOM 0 HG23 VAL B 186 2.836 6.926 3.056 1.00 0.00 H new ATOM 1021 N GLU B 187 2.798 4.206 -0.669 1.00 0.00 N ATOM 1022 CA GLU B 187 2.546 3.379 -1.886 1.00 0.00 C ATOM 1023 C GLU B 187 3.802 2.579 -2.235 1.00 0.00 C ATOM 1024 O GLU B 187 3.726 1.492 -2.777 1.00 0.00 O ATOM 1025 CB GLU B 187 2.221 4.383 -2.994 1.00 0.00 C ATOM 1026 CG GLU B 187 1.863 3.630 -4.277 1.00 0.00 C ATOM 1027 CD GLU B 187 1.920 4.591 -5.466 1.00 0.00 C ATOM 1028 OE1 GLU B 187 2.804 5.431 -5.481 1.00 0.00 O ATOM 1029 OE2 GLU B 187 1.078 4.471 -6.341 1.00 0.00 O ATOM 0 H GLU B 187 2.940 5.201 -0.845 1.00 0.00 H new ATOM 0 HA GLU B 187 1.736 2.663 -1.743 1.00 0.00 H new ATOM 0 HB2 GLU B 187 1.390 5.020 -2.690 1.00 0.00 H new ATOM 0 HB3 GLU B 187 3.076 5.036 -3.170 1.00 0.00 H new ATOM 0 HG2 GLU B 187 2.556 2.803 -4.431 1.00 0.00 H new ATOM 0 HG3 GLU B 187 0.866 3.199 -4.192 1.00 0.00 H new ATOM 1036 N GLN B 188 4.956 3.110 -1.920 1.00 0.00 N ATOM 1037 CA GLN B 188 6.227 2.387 -2.221 1.00 0.00 C ATOM 1038 C GLN B 188 6.394 1.208 -1.260 1.00 0.00 C ATOM 1039 O GLN B 188 6.982 0.198 -1.599 1.00 0.00 O ATOM 1040 CB GLN B 188 7.339 3.417 -2.007 1.00 0.00 C ATOM 1041 CG GLN B 188 8.677 2.837 -2.476 1.00 0.00 C ATOM 1042 CD GLN B 188 8.631 2.580 -3.985 1.00 0.00 C ATOM 1043 OE1 GLN B 188 9.020 1.525 -4.443 1.00 0.00 O ATOM 1044 NE2 GLN B 188 8.167 3.504 -4.780 1.00 0.00 N ATOM 0 H GLN B 188 5.072 4.016 -1.466 1.00 0.00 H new ATOM 0 HA GLN B 188 6.243 1.983 -3.233 1.00 0.00 H new ATOM 0 HB2 GLN B 188 7.114 4.330 -2.559 1.00 0.00 H new ATOM 0 HB3 GLN B 188 7.399 3.688 -0.953 1.00 0.00 H new ATOM 0 HG2 GLN B 188 9.486 3.528 -2.240 1.00 0.00 H new ATOM 0 HG3 GLN B 188 8.887 1.908 -1.946 1.00 0.00 H new ATOM 0 HE21 GLN B 188 7.840 4.390 -4.396 1.00 0.00 H new ATOM 0 HE22 GLN B 188 8.131 3.340 -5.786 1.00 0.00 H new ATOM 1053 N GLN B 189 5.873 1.332 -0.066 1.00 0.00 N ATOM 1054 CA GLN B 189 5.989 0.220 0.925 1.00 0.00 C ATOM 1055 C GLN B 189 5.105 -0.951 0.496 1.00 0.00 C ATOM 1056 O GLN B 189 5.466 -2.103 0.652 1.00 0.00 O ATOM 1057 CB GLN B 189 5.495 0.806 2.251 1.00 0.00 C ATOM 1058 CG GLN B 189 6.274 0.183 3.414 1.00 0.00 C ATOM 1059 CD GLN B 189 7.373 1.146 3.876 1.00 0.00 C ATOM 1060 OE1 GLN B 189 7.622 1.278 5.057 1.00 0.00 O ATOM 1061 NE2 GLN B 189 8.043 1.826 2.987 1.00 0.00 N ATOM 0 H GLN B 189 5.372 2.156 0.266 1.00 0.00 H new ATOM 0 HA GLN B 189 7.009 -0.156 1.006 1.00 0.00 H new ATOM 0 HB2 GLN B 189 5.625 1.888 2.252 1.00 0.00 H new ATOM 0 HB3 GLN B 189 4.429 0.613 2.370 1.00 0.00 H new ATOM 0 HG2 GLN B 189 5.598 -0.036 4.241 1.00 0.00 H new ATOM 0 HG3 GLN B 189 6.715 -0.764 3.103 1.00 0.00 H new ATOM 0 HE21 GLN B 189 7.833 1.714 1.995 1.00 0.00 H new ATOM 0 HE22 GLN B 189 8.777 2.469 3.284 1.00 0.00 H new ATOM 1070 N ILE B 190 3.950 -0.661 -0.049 1.00 0.00 N ATOM 1071 CA ILE B 190 3.036 -1.754 -0.500 1.00 0.00 C ATOM 1072 C ILE B 190 3.617 -2.426 -1.746 1.00 0.00 C ATOM 1073 O ILE B 190 3.430 -3.608 -1.968 1.00 0.00 O ATOM 1074 CB ILE B 190 1.704 -1.068 -0.822 1.00 0.00 C ATOM 1075 CG1 ILE B 190 1.183 -0.355 0.432 1.00 0.00 C ATOM 1076 CG2 ILE B 190 0.683 -2.118 -1.273 1.00 0.00 C ATOM 1077 CD1 ILE B 190 -0.088 0.428 0.094 1.00 0.00 C ATOM 0 H ILE B 190 3.601 0.285 -0.201 1.00 0.00 H new ATOM 0 HA ILE B 190 2.908 -2.528 0.256 1.00 0.00 H new ATOM 0 HB ILE B 190 1.853 -0.341 -1.620 1.00 0.00 H new ATOM 0 HG12 ILE B 190 0.975 -1.084 1.215 1.00 0.00 H new ATOM 0 HG13 ILE B 190 1.945 0.321 0.820 1.00 0.00 H new ATOM 0 HG21 ILE B 190 -0.264 -1.630 -1.502 1.00 0.00 H new ATOM 0 HG22 ILE B 190 1.053 -2.627 -2.163 1.00 0.00 H new ATOM 0 HG23 ILE B 190 0.533 -2.845 -0.475 1.00 0.00 H new ATOM 0 HD11 ILE B 190 -0.453 0.932 0.989 1.00 0.00 H new ATOM 0 HD12 ILE B 190 0.134 1.168 -0.675 1.00 0.00 H new ATOM 0 HD13 ILE B 190 -0.851 -0.258 -0.273 1.00 0.00 H new ATOM 1089 N SER B 191 4.329 -1.680 -2.551 1.00 0.00 N ATOM 1090 CA SER B 191 4.940 -2.268 -3.780 1.00 0.00 C ATOM 1091 C SER B 191 6.047 -3.244 -3.383 1.00 0.00 C ATOM 1092 O SER B 191 6.250 -4.259 -4.024 1.00 0.00 O ATOM 1093 CB SER B 191 5.517 -1.084 -4.556 1.00 0.00 C ATOM 1094 OG SER B 191 4.551 -0.042 -4.610 1.00 0.00 O ATOM 0 H SER B 191 4.514 -0.687 -2.410 1.00 0.00 H new ATOM 0 HA SER B 191 4.217 -2.821 -4.380 1.00 0.00 H new ATOM 0 HB2 SER B 191 6.427 -0.727 -4.074 1.00 0.00 H new ATOM 0 HB3 SER B 191 5.791 -1.394 -5.564 1.00 0.00 H new ATOM 0 HG SER B 191 4.707 0.587 -3.875 1.00 0.00 H new ATOM 1100 N LYS B 192 6.756 -2.946 -2.324 1.00 0.00 N ATOM 1101 CA LYS B 192 7.847 -3.857 -1.868 1.00 0.00 C ATOM 1102 C LYS B 192 7.234 -5.089 -1.200 1.00 0.00 C ATOM 1103 O LYS B 192 7.722 -6.194 -1.347 1.00 0.00 O ATOM 1104 CB LYS B 192 8.663 -3.044 -0.862 1.00 0.00 C ATOM 1105 CG LYS B 192 9.254 -1.814 -1.556 1.00 0.00 C ATOM 1106 CD LYS B 192 10.674 -2.127 -2.033 1.00 0.00 C ATOM 1107 CE LYS B 192 11.601 -2.265 -0.824 1.00 0.00 C ATOM 1108 NZ LYS B 192 12.218 -0.919 -0.659 1.00 0.00 N ATOM 0 H LYS B 192 6.625 -2.109 -1.755 1.00 0.00 H new ATOM 0 HA LYS B 192 8.470 -4.208 -2.690 1.00 0.00 H new ATOM 0 HB2 LYS B 192 8.030 -2.736 -0.030 1.00 0.00 H new ATOM 0 HB3 LYS B 192 9.461 -3.658 -0.445 1.00 0.00 H new ATOM 0 HG2 LYS B 192 8.630 -1.527 -2.402 1.00 0.00 H new ATOM 0 HG3 LYS B 192 9.268 -0.968 -0.869 1.00 0.00 H new ATOM 0 HD2 LYS B 192 10.678 -3.049 -2.615 1.00 0.00 H new ATOM 0 HD3 LYS B 192 11.031 -1.334 -2.690 1.00 0.00 H new ATOM 0 HE2 LYS B 192 11.047 -2.558 0.068 1.00 0.00 H new ATOM 0 HE3 LYS B 192 12.359 -3.029 -0.993 1.00 0.00 H new ATOM 0 HZ1 LYS B 192 12.869 -0.932 0.152 1.00 0.00 H new ATOM 0 HZ2 LYS B 192 12.744 -0.670 -1.521 1.00 0.00 H new ATOM 0 HZ3 LYS B 192 11.472 -0.213 -0.493 1.00 0.00 H new ATOM 1122 N LEU B 193 6.158 -4.904 -0.477 1.00 0.00 N ATOM 1123 CA LEU B 193 5.494 -6.061 0.193 1.00 0.00 C ATOM 1124 C LEU B 193 4.819 -6.939 -0.862 1.00 0.00 C ATOM 1125 O LEU B 193 4.733 -8.144 -0.717 1.00 0.00 O ATOM 1126 CB LEU B 193 4.452 -5.443 1.134 1.00 0.00 C ATOM 1127 CG LEU B 193 4.475 -6.174 2.491 1.00 0.00 C ATOM 1128 CD1 LEU B 193 4.872 -5.194 3.600 1.00 0.00 C ATOM 1129 CD2 LEU B 193 3.086 -6.746 2.795 1.00 0.00 C ATOM 0 H LEU B 193 5.711 -4.000 -0.322 1.00 0.00 H new ATOM 0 HA LEU B 193 6.197 -6.689 0.739 1.00 0.00 H new ATOM 0 HB2 LEU B 193 4.662 -4.383 1.278 1.00 0.00 H new ATOM 0 HB3 LEU B 193 3.459 -5.514 0.689 1.00 0.00 H new ATOM 0 HG LEU B 193 5.201 -6.986 2.445 1.00 0.00 H new ATOM 0 HD11 LEU B 193 4.887 -5.715 4.557 1.00 0.00 H new ATOM 0 HD12 LEU B 193 5.863 -4.790 3.391 1.00 0.00 H new ATOM 0 HD13 LEU B 193 4.149 -4.379 3.641 1.00 0.00 H new ATOM 0 HD21 LEU B 193 3.107 -7.262 3.755 1.00 0.00 H new ATOM 0 HD22 LEU B 193 2.359 -5.935 2.835 1.00 0.00 H new ATOM 0 HD23 LEU B 193 2.803 -7.449 2.012 1.00 0.00 H new ATOM 1141 N LYS B 194 4.353 -6.339 -1.928 1.00 0.00 N ATOM 1142 CA LYS B 194 3.692 -7.131 -3.010 1.00 0.00 C ATOM 1143 C LYS B 194 4.724 -8.039 -3.679 1.00 0.00 C ATOM 1144 O LYS B 194 4.448 -9.184 -3.990 1.00 0.00 O ATOM 1145 CB LYS B 194 3.159 -6.098 -4.005 1.00 0.00 C ATOM 1146 CG LYS B 194 1.960 -6.681 -4.755 1.00 0.00 C ATOM 1147 CD LYS B 194 0.683 -6.434 -3.949 1.00 0.00 C ATOM 1148 CE LYS B 194 -0.503 -6.280 -4.904 1.00 0.00 C ATOM 1149 NZ LYS B 194 -0.451 -4.862 -5.353 1.00 0.00 N ATOM 0 H LYS B 194 4.402 -5.334 -2.096 1.00 0.00 H new ATOM 0 HA LYS B 194 2.892 -7.767 -2.631 1.00 0.00 H new ATOM 0 HB2 LYS B 194 2.865 -5.189 -3.479 1.00 0.00 H new ATOM 0 HB3 LYS B 194 3.942 -5.820 -4.710 1.00 0.00 H new ATOM 0 HG2 LYS B 194 1.875 -6.222 -5.740 1.00 0.00 H new ATOM 0 HG3 LYS B 194 2.102 -7.750 -4.913 1.00 0.00 H new ATOM 0 HD2 LYS B 194 0.507 -7.264 -3.264 1.00 0.00 H new ATOM 0 HD3 LYS B 194 0.792 -5.536 -3.341 1.00 0.00 H new ATOM 0 HE2 LYS B 194 -0.422 -6.965 -5.748 1.00 0.00 H new ATOM 0 HE3 LYS B 194 -1.445 -6.502 -4.403 1.00 0.00 H new ATOM 0 HZ1 LYS B 194 -0.697 -4.808 -6.362 1.00 0.00 H new ATOM 0 HZ2 LYS B 194 -1.128 -4.298 -4.801 1.00 0.00 H new ATOM 0 HZ3 LYS B 194 0.509 -4.488 -5.210 1.00 0.00 H new ATOM 1163 N LYS B 195 5.915 -7.537 -3.891 1.00 0.00 N ATOM 1164 CA LYS B 195 6.978 -8.372 -4.528 1.00 0.00 C ATOM 1165 C LYS B 195 7.323 -9.544 -3.609 1.00 0.00 C ATOM 1166 O LYS B 195 7.671 -10.619 -4.060 1.00 0.00 O ATOM 1167 CB LYS B 195 8.181 -7.439 -4.693 1.00 0.00 C ATOM 1168 CG LYS B 195 8.865 -7.717 -6.033 1.00 0.00 C ATOM 1169 CD LYS B 195 8.260 -6.815 -7.110 1.00 0.00 C ATOM 1170 CE LYS B 195 8.671 -7.324 -8.494 1.00 0.00 C ATOM 1171 NZ LYS B 195 7.940 -6.453 -9.455 1.00 0.00 N ATOM 0 H LYS B 195 6.196 -6.586 -3.651 1.00 0.00 H new ATOM 0 HA LYS B 195 6.666 -8.790 -5.485 1.00 0.00 H new ATOM 0 HB2 LYS B 195 7.857 -6.399 -4.647 1.00 0.00 H new ATOM 0 HB3 LYS B 195 8.886 -7.589 -3.875 1.00 0.00 H new ATOM 0 HG2 LYS B 195 9.937 -7.536 -5.951 1.00 0.00 H new ATOM 0 HG3 LYS B 195 8.739 -8.764 -6.308 1.00 0.00 H new ATOM 0 HD2 LYS B 195 7.174 -6.805 -7.023 1.00 0.00 H new ATOM 0 HD3 LYS B 195 8.600 -5.789 -6.973 1.00 0.00 H new ATOM 0 HE2 LYS B 195 9.749 -7.252 -8.637 1.00 0.00 H new ATOM 0 HE3 LYS B 195 8.401 -8.372 -8.626 1.00 0.00 H new ATOM 0 HZ1 LYS B 195 8.170 -6.740 -10.428 1.00 0.00 H new ATOM 0 HZ2 LYS B 195 6.916 -6.547 -9.299 1.00 0.00 H new ATOM 0 HZ3 LYS B 195 8.223 -5.463 -9.310 1.00 0.00 H new ATOM 1185 N LYS B 196 7.217 -9.341 -2.319 1.00 0.00 N ATOM 1186 CA LYS B 196 7.524 -10.441 -1.355 1.00 0.00 C ATOM 1187 C LYS B 196 6.530 -11.586 -1.555 1.00 0.00 C ATOM 1188 O LYS B 196 6.877 -12.747 -1.448 1.00 0.00 O ATOM 1189 CB LYS B 196 7.359 -9.816 0.035 1.00 0.00 C ATOM 1190 CG LYS B 196 7.680 -10.854 1.112 1.00 0.00 C ATOM 1191 CD LYS B 196 6.982 -10.466 2.417 1.00 0.00 C ATOM 1192 CE LYS B 196 5.464 -10.558 2.234 1.00 0.00 C ATOM 1193 NZ LYS B 196 4.916 -10.639 3.617 1.00 0.00 N ATOM 0 H LYS B 196 6.931 -8.460 -1.892 1.00 0.00 H new ATOM 0 HA LYS B 196 8.525 -10.851 -1.491 1.00 0.00 H new ATOM 0 HB2 LYS B 196 8.020 -8.956 0.138 1.00 0.00 H new ATOM 0 HB3 LYS B 196 6.340 -9.451 0.161 1.00 0.00 H new ATOM 0 HG2 LYS B 196 7.350 -11.842 0.790 1.00 0.00 H new ATOM 0 HG3 LYS B 196 8.757 -10.912 1.267 1.00 0.00 H new ATOM 0 HD2 LYS B 196 7.302 -11.126 3.223 1.00 0.00 H new ATOM 0 HD3 LYS B 196 7.263 -9.453 2.704 1.00 0.00 H new ATOM 0 HE2 LYS B 196 5.076 -9.687 1.706 1.00 0.00 H new ATOM 0 HE3 LYS B 196 5.189 -11.435 1.648 1.00 0.00 H new ATOM 0 HZ1 LYS B 196 4.007 -10.135 3.660 1.00 0.00 H new ATOM 0 HZ2 LYS B 196 4.772 -11.636 3.876 1.00 0.00 H new ATOM 0 HZ3 LYS B 196 5.586 -10.202 4.282 1.00 0.00 H new ATOM 1207 N GLN B 197 5.300 -11.260 -1.854 1.00 0.00 N ATOM 1208 CA GLN B 197 4.272 -12.321 -2.076 1.00 0.00 C ATOM 1209 C GLN B 197 4.667 -13.175 -3.282 1.00 0.00 C ATOM 1210 O GLN B 197 4.358 -14.350 -3.351 1.00 0.00 O ATOM 1211 CB GLN B 197 2.967 -11.572 -2.354 1.00 0.00 C ATOM 1212 CG GLN B 197 1.782 -12.525 -2.179 1.00 0.00 C ATOM 1213 CD GLN B 197 0.479 -11.725 -2.176 1.00 0.00 C ATOM 1214 OE1 GLN B 197 0.153 -11.069 -3.145 1.00 0.00 O ATOM 1215 NE2 GLN B 197 -0.286 -11.753 -1.119 1.00 0.00 N ATOM 0 H GLN B 197 4.962 -10.303 -1.954 1.00 0.00 H new ATOM 0 HA GLN B 197 4.175 -12.989 -1.220 1.00 0.00 H new ATOM 0 HB2 GLN B 197 2.870 -10.726 -1.674 1.00 0.00 H new ATOM 0 HB3 GLN B 197 2.976 -11.168 -3.366 1.00 0.00 H new ATOM 0 HG2 GLN B 197 1.769 -13.258 -2.986 1.00 0.00 H new ATOM 0 HG3 GLN B 197 1.883 -13.080 -1.246 1.00 0.00 H new ATOM 0 HE21 GLN B 197 -0.012 -12.304 -0.306 1.00 0.00 H new ATOM 0 HE22 GLN B 197 -1.158 -11.224 -1.106 1.00 0.00 H new ATOM 1224 N GLN B 198 5.356 -12.589 -4.229 1.00 0.00 N ATOM 1225 CA GLN B 198 5.787 -13.359 -5.436 1.00 0.00 C ATOM 1226 C GLN B 198 6.709 -14.505 -5.020 1.00 0.00 C ATOM 1227 O GLN B 198 6.577 -15.622 -5.483 1.00 0.00 O ATOM 1228 CB GLN B 198 6.543 -12.356 -6.310 1.00 0.00 C ATOM 1229 CG GLN B 198 6.395 -12.749 -7.782 1.00 0.00 C ATOM 1230 CD GLN B 198 5.007 -12.344 -8.280 1.00 0.00 C ATOM 1231 OE1 GLN B 198 4.289 -13.152 -8.835 1.00 0.00 O ATOM 1232 NE2 GLN B 198 4.595 -11.118 -8.103 1.00 0.00 N ATOM 0 H GLN B 198 5.639 -11.609 -4.218 1.00 0.00 H new ATOM 0 HA GLN B 198 4.942 -13.798 -5.967 1.00 0.00 H new ATOM 0 HB2 GLN B 198 6.153 -11.351 -6.150 1.00 0.00 H new ATOM 0 HB3 GLN B 198 7.597 -12.337 -6.032 1.00 0.00 H new ATOM 0 HG2 GLN B 198 7.165 -12.260 -8.379 1.00 0.00 H new ATOM 0 HG3 GLN B 198 6.536 -13.824 -7.899 1.00 0.00 H new ATOM 0 HE21 GLN B 198 5.198 -10.440 -7.637 1.00 0.00 H new ATOM 0 HE22 GLN B 198 3.670 -10.838 -8.431 1.00 0.00 H new ATOM 1241 N GLN B 199 7.637 -14.231 -4.142 1.00 0.00 N ATOM 1242 CA GLN B 199 8.575 -15.299 -3.678 1.00 0.00 C ATOM 1243 C GLN B 199 7.792 -16.391 -2.947 1.00 0.00 C ATOM 1244 O GLN B 199 8.058 -17.568 -3.105 1.00 0.00 O ATOM 1245 CB GLN B 199 9.545 -14.601 -2.721 1.00 0.00 C ATOM 1246 CG GLN B 199 10.703 -13.997 -3.518 1.00 0.00 C ATOM 1247 CD GLN B 199 10.386 -12.538 -3.853 1.00 0.00 C ATOM 1248 OE1 GLN B 199 10.460 -11.677 -2.999 1.00 0.00 O ATOM 1249 NE2 GLN B 199 10.034 -12.222 -5.070 1.00 0.00 N ATOM 0 H GLN B 199 7.787 -13.313 -3.725 1.00 0.00 H new ATOM 0 HA GLN B 199 9.102 -15.775 -4.505 1.00 0.00 H new ATOM 0 HB2 GLN B 199 9.026 -13.820 -2.166 1.00 0.00 H new ATOM 0 HB3 GLN B 199 9.926 -15.313 -1.989 1.00 0.00 H new ATOM 0 HG2 GLN B 199 11.626 -14.056 -2.941 1.00 0.00 H new ATOM 0 HG3 GLN B 199 10.863 -14.565 -4.434 1.00 0.00 H new ATOM 0 HE21 GLN B 199 9.972 -12.945 -5.787 1.00 0.00 H new ATOM 0 HE22 GLN B 199 9.821 -11.252 -5.304 1.00 0.00 H new ATOM 1258 N LEU B 200 6.823 -16.006 -2.156 1.00 0.00 N ATOM 1259 CA LEU B 200 6.009 -17.018 -1.417 1.00 0.00 C ATOM 1260 C LEU B 200 5.111 -17.773 -2.397 1.00 0.00 C ATOM 1261 O LEU B 200 4.948 -18.976 -2.302 1.00 0.00 O ATOM 1262 CB LEU B 200 5.164 -16.210 -0.426 1.00 0.00 C ATOM 1263 CG LEU B 200 4.987 -17.009 0.866 1.00 0.00 C ATOM 1264 CD1 LEU B 200 6.267 -16.925 1.699 1.00 0.00 C ATOM 1265 CD2 LEU B 200 3.819 -16.428 1.668 1.00 0.00 C ATOM 0 H LEU B 200 6.560 -15.034 -1.990 1.00 0.00 H new ATOM 0 HA LEU B 200 6.627 -17.757 -0.908 1.00 0.00 H new ATOM 0 HB2 LEU B 200 5.647 -15.257 -0.213 1.00 0.00 H new ATOM 0 HB3 LEU B 200 4.191 -15.984 -0.862 1.00 0.00 H new ATOM 0 HG LEU B 200 4.780 -18.051 0.622 1.00 0.00 H new ATOM 0 HD11 LEU B 200 6.140 -17.495 2.620 1.00 0.00 H new ATOM 0 HD12 LEU B 200 7.100 -17.337 1.129 1.00 0.00 H new ATOM 0 HD13 LEU B 200 6.475 -15.883 1.943 1.00 0.00 H new ATOM 0 HD21 LEU B 200 3.692 -16.997 2.589 1.00 0.00 H new ATOM 0 HD22 LEU B 200 4.027 -15.386 1.911 1.00 0.00 H new ATOM 0 HD23 LEU B 200 2.906 -16.487 1.076 1.00 0.00 H new ATOM 1277 N GLU B 201 4.538 -17.075 -3.344 1.00 0.00 N ATOM 1278 CA GLU B 201 3.656 -17.745 -4.346 1.00 0.00 C ATOM 1279 C GLU B 201 4.510 -18.558 -5.322 1.00 0.00 C ATOM 1280 O GLU B 201 4.083 -19.575 -5.835 1.00 0.00 O ATOM 1281 CB GLU B 201 2.935 -16.611 -5.076 1.00 0.00 C ATOM 1282 CG GLU B 201 1.635 -16.275 -4.342 1.00 0.00 C ATOM 1283 CD GLU B 201 0.479 -17.060 -4.963 1.00 0.00 C ATOM 1284 OE1 GLU B 201 0.444 -17.161 -6.179 1.00 0.00 O ATOM 1285 OE2 GLU B 201 -0.352 -17.546 -4.214 1.00 0.00 O ATOM 0 H GLU B 201 4.643 -16.068 -3.467 1.00 0.00 H new ATOM 0 HA GLU B 201 2.949 -18.433 -3.882 1.00 0.00 H new ATOM 0 HB2 GLU B 201 3.576 -15.730 -5.124 1.00 0.00 H new ATOM 0 HB3 GLU B 201 2.719 -16.905 -6.103 1.00 0.00 H new ATOM 0 HG2 GLU B 201 1.728 -16.521 -3.284 1.00 0.00 H new ATOM 0 HG3 GLU B 201 1.436 -15.205 -4.404 1.00 0.00 H new