USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=10 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= -0.365 X(o=-0.37,f=-0.25) USER MOD Single : A 71 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.394) 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=-0.061) USER MOD Single : A 83 LYS NZ :NH3+ 144:sc= -0.0453 (180deg=-0.404) USER MOD Single : A 84 HIS : no HD1:sc= -0.845 K(o=-0.84,f=0.012) USER MOD Single : A 85 GLN : amide:sc= -0.217 X(o=-0.22,f=0) USER MOD Single : A 89 GLN : amide:sc= -0.269 X(o=-0.27,f=0) USER MOD Single : B 168 SER OG : rot 160:sc= -0.401 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) USER MOD Single : B 175 ASN : amide:sc=-0.00605 K(o=-0.0061,f=-1.2) USER MOD Single : B 176 MET CE :methyl 150:sc= -8.27! (180deg=-10.8!) USER MOD Single : B 184 THR OG1 : rot 89:sc= 0.83 USER MOD Single : B 185 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 188 GLN : amide:sc= -0.608 K(o=-0.61,f=0) USER MOD Single : B 189 GLN : amide:sc= -0.263 X(o=-0.26,f=0) USER MOD Single : B 191 SER OG : rot 92:sc= 0.438 USER MOD Single : B 192 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.026) USER MOD Single : B 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 195 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000267) USER MOD Single : B 196 LYS NZ :NH3+ 139:sc= -0.134 (180deg=-2.09!) USER MOD Single : B 197 GLN : amide:sc= -4.68 K(o=-4.7,f=-2.3) USER MOD Single : B 198 GLN : amide:sc= -0.391 X(o=-0.39,f=-0.086) USER MOD Single : B 199 GLN : amide:sc= -0.309 K(o=-0.31,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 161 N LEU A 62 0.284 -18.262 2.721 1.00 0.00 N ATOM 162 CA LEU A 62 -0.177 -17.296 1.678 1.00 0.00 C ATOM 163 C LEU A 62 -1.496 -16.651 2.107 1.00 0.00 C ATOM 164 O LEU A 62 -1.795 -15.527 1.746 1.00 0.00 O ATOM 165 CB LEU A 62 -0.378 -18.134 0.412 1.00 0.00 C ATOM 166 CG LEU A 62 -0.760 -17.217 -0.752 1.00 0.00 C ATOM 167 CD1 LEU A 62 0.486 -16.495 -1.265 1.00 0.00 C ATOM 168 CD2 LEU A 62 -1.364 -18.054 -1.881 1.00 0.00 C ATOM 0 HA LEU A 62 0.539 -16.489 1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.536 -18.679 0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.159 -18.877 0.575 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.490 -16.483 -0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.213 -15.842 -2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.918 -15.899 -0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.217 -17.228 -1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.637 -17.402 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.633 -18.788 -2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.253 -18.569 -1.517 1.00 0.00 H new ATOM 180 N GLU A 63 -2.286 -17.354 2.880 1.00 0.00 N ATOM 181 CA GLU A 63 -3.590 -16.787 3.343 1.00 0.00 C ATOM 182 C GLU A 63 -3.343 -15.661 4.347 1.00 0.00 C ATOM 183 O GLU A 63 -3.899 -14.584 4.235 1.00 0.00 O ATOM 184 CB GLU A 63 -4.324 -17.951 4.010 1.00 0.00 C ATOM 185 CG GLU A 63 -5.834 -17.744 3.881 1.00 0.00 C ATOM 186 CD GLU A 63 -6.568 -18.899 4.565 1.00 0.00 C ATOM 187 OE1 GLU A 63 -6.605 -19.975 3.990 1.00 0.00 O ATOM 188 OE2 GLU A 63 -7.081 -18.688 5.651 1.00 0.00 O ATOM 0 H GLU A 63 -2.084 -18.297 3.211 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.170 -16.364 2.523 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.034 -18.893 3.543 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.044 -18.017 5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.122 -16.796 4.336 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.116 -17.692 2.829 1.00 0.00 H new ATOM 195 N GLU A 64 -2.509 -15.905 5.321 1.00 0.00 N ATOM 196 CA GLU A 64 -2.212 -14.853 6.341 1.00 0.00 C ATOM 197 C GLU A 64 -1.439 -13.705 5.691 1.00 0.00 C ATOM 198 O GLU A 64 -1.563 -12.560 6.085 1.00 0.00 O ATOM 199 CB GLU A 64 -1.356 -15.546 7.402 1.00 0.00 C ATOM 200 CG GLU A 64 -1.255 -14.653 8.641 1.00 0.00 C ATOM 201 CD GLU A 64 -0.531 -15.406 9.757 1.00 0.00 C ATOM 202 OE1 GLU A 64 0.688 -15.451 9.721 1.00 0.00 O ATOM 203 OE2 GLU A 64 -1.208 -15.926 10.630 1.00 0.00 O ATOM 0 H GLU A 64 -2.018 -16.789 5.457 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.118 -14.429 6.773 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.796 -16.507 7.668 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.361 -15.750 7.006 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.717 -13.736 8.398 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.251 -14.360 8.973 1.00 0.00 H new ATOM 210 N THR A 65 -0.651 -14.006 4.693 1.00 0.00 N ATOM 211 CA THR A 65 0.129 -12.939 3.999 1.00 0.00 C ATOM 212 C THR A 65 -0.801 -12.118 3.105 1.00 0.00 C ATOM 213 O THR A 65 -0.592 -10.939 2.891 1.00 0.00 O ATOM 214 CB THR A 65 1.169 -13.680 3.156 1.00 0.00 C ATOM 215 OG1 THR A 65 1.955 -14.510 4.001 1.00 0.00 O ATOM 216 CG2 THR A 65 2.072 -12.670 2.447 1.00 0.00 C ATOM 0 H THR A 65 -0.513 -14.948 4.327 1.00 0.00 H new ATOM 0 HA THR A 65 0.600 -12.248 4.699 1.00 0.00 H new ATOM 0 HB THR A 65 0.662 -14.293 2.411 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.621 -14.987 3.463 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.811 -13.201 1.848 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.468 -12.034 1.799 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.581 -12.054 3.188 1.00 0.00 H new ATOM 224 N LYS A 66 -1.833 -12.737 2.588 1.00 0.00 N ATOM 225 CA LYS A 66 -2.791 -12.001 1.709 1.00 0.00 C ATOM 226 C LYS A 66 -3.628 -11.026 2.544 1.00 0.00 C ATOM 227 O LYS A 66 -4.093 -10.016 2.049 1.00 0.00 O ATOM 228 CB LYS A 66 -3.683 -13.080 1.092 1.00 0.00 C ATOM 229 CG LYS A 66 -3.145 -13.462 -0.289 1.00 0.00 C ATOM 230 CD LYS A 66 -3.791 -12.573 -1.353 1.00 0.00 C ATOM 231 CE LYS A 66 -3.315 -13.008 -2.740 1.00 0.00 C ATOM 232 NZ LYS A 66 -4.472 -12.751 -3.641 1.00 0.00 N ATOM 0 H LYS A 66 -2.053 -13.722 2.737 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.281 -11.414 0.946 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.710 -13.957 1.738 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.707 -12.715 1.007 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.061 -13.347 -0.313 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.359 -14.510 -0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.877 -12.644 -1.291 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.529 -11.529 -1.178 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.438 -12.441 -3.052 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.034 -14.061 -2.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.223 -13.025 -4.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.290 -13.309 -3.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.713 -11.739 -3.617 1.00 0.00 H new ATOM 246 N GLU A 67 -3.821 -11.324 3.805 1.00 0.00 N ATOM 247 CA GLU A 67 -4.629 -10.416 4.676 1.00 0.00 C ATOM 248 C GLU A 67 -3.842 -9.140 4.984 1.00 0.00 C ATOM 249 O GLU A 67 -4.404 -8.066 5.085 1.00 0.00 O ATOM 250 CB GLU A 67 -4.886 -11.211 5.959 1.00 0.00 C ATOM 251 CG GLU A 67 -6.046 -12.182 5.732 1.00 0.00 C ATOM 252 CD GLU A 67 -7.369 -11.414 5.760 1.00 0.00 C ATOM 253 OE1 GLU A 67 -7.668 -10.754 4.778 1.00 0.00 O ATOM 254 OE2 GLU A 67 -8.059 -11.498 6.762 1.00 0.00 O ATOM 0 H GLU A 67 -3.455 -12.156 4.268 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.559 -10.109 4.197 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.989 -11.760 6.246 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.120 -10.533 6.779 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.928 -12.689 4.774 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.045 -12.953 6.503 1.00 0.00 H new ATOM 261 N GLN A 68 -2.548 -9.254 5.128 1.00 0.00 N ATOM 262 CA GLN A 68 -1.716 -8.048 5.424 1.00 0.00 C ATOM 263 C GLN A 68 -1.538 -7.218 4.154 1.00 0.00 C ATOM 264 O GLN A 68 -1.502 -6.003 4.194 1.00 0.00 O ATOM 265 CB GLN A 68 -0.372 -8.593 5.908 1.00 0.00 C ATOM 266 CG GLN A 68 0.481 -7.443 6.448 1.00 0.00 C ATOM 267 CD GLN A 68 -0.160 -6.887 7.722 1.00 0.00 C ATOM 268 OE1 GLN A 68 -0.043 -7.471 8.780 1.00 0.00 O ATOM 269 NE2 GLN A 68 -0.836 -5.772 7.663 1.00 0.00 N ATOM 0 H GLN A 68 -2.030 -10.130 5.054 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.175 -7.399 6.170 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.529 -9.340 6.686 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.147 -9.091 5.089 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.491 -7.794 6.659 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.567 -6.657 5.698 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.934 -5.282 6.774 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.266 -5.391 8.506 1.00 0.00 H new ATOM 278 N ILE A 69 -1.439 -7.871 3.026 1.00 0.00 N ATOM 279 CA ILE A 69 -1.275 -7.131 1.738 1.00 0.00 C ATOM 280 C ILE A 69 -2.615 -6.510 1.331 1.00 0.00 C ATOM 281 O ILE A 69 -2.659 -5.503 0.650 1.00 0.00 O ATOM 282 CB ILE A 69 -0.828 -8.182 0.714 1.00 0.00 C ATOM 283 CG1 ILE A 69 0.480 -8.832 1.179 1.00 0.00 C ATOM 284 CG2 ILE A 69 -0.600 -7.513 -0.646 1.00 0.00 C ATOM 285 CD1 ILE A 69 0.704 -10.136 0.412 1.00 0.00 C ATOM 0 H ILE A 69 -1.465 -8.887 2.940 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.550 -6.320 1.813 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.603 -8.943 0.623 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.315 -8.152 1.013 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.439 -9.030 2.250 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.283 -8.262 -1.371 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.527 -7.051 -0.984 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.172 -6.750 -0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.634 -10.598 0.743 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.126 -10.817 0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.764 -9.924 -0.656 1.00 0.00 H new ATOM 297 N LEU A 70 -3.707 -7.103 1.752 1.00 0.00 N ATOM 298 CA LEU A 70 -5.048 -6.546 1.400 1.00 0.00 C ATOM 299 C LEU A 70 -5.328 -5.296 2.236 1.00 0.00 C ATOM 300 O LEU A 70 -5.950 -4.358 1.774 1.00 0.00 O ATOM 301 CB LEU A 70 -6.046 -7.657 1.738 1.00 0.00 C ATOM 302 CG LEU A 70 -7.448 -7.238 1.294 1.00 0.00 C ATOM 303 CD1 LEU A 70 -7.613 -7.514 -0.201 1.00 0.00 C ATOM 304 CD2 LEU A 70 -8.490 -8.038 2.079 1.00 0.00 C ATOM 0 H LEU A 70 -3.726 -7.948 2.323 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.113 -6.252 0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.757 -8.583 1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.037 -7.855 2.810 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.587 -6.174 1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.612 -7.216 -0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.870 -6.945 -0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.475 -8.578 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.490 -7.741 1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.351 -9.102 1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.372 -7.842 3.145 1.00 0.00 H new ATOM 316 N LYS A 71 -4.865 -5.275 3.462 1.00 0.00 N ATOM 317 CA LYS A 71 -5.095 -4.080 4.331 1.00 0.00 C ATOM 318 C LYS A 71 -4.237 -2.914 3.838 1.00 0.00 C ATOM 319 O LYS A 71 -4.628 -1.765 3.919 1.00 0.00 O ATOM 320 CB LYS A 71 -4.664 -4.510 5.733 1.00 0.00 C ATOM 321 CG LYS A 71 -5.247 -3.541 6.765 1.00 0.00 C ATOM 322 CD LYS A 71 -6.696 -3.929 7.068 1.00 0.00 C ATOM 323 CE LYS A 71 -7.044 -3.525 8.502 1.00 0.00 C ATOM 324 NZ LYS A 71 -6.912 -2.041 8.526 1.00 0.00 N ATOM 0 H LYS A 71 -4.339 -6.032 3.897 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.133 -3.749 4.317 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.008 -5.524 5.936 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.576 -4.522 5.803 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.654 -3.566 7.679 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.204 -2.520 6.386 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.370 -3.437 6.367 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.831 -5.003 6.939 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.055 -3.836 8.766 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.369 -3.993 9.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.414 -1.661 9.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.906 -1.783 8.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.323 -1.642 7.658 1.00 0.00 H new ATOM 338 N LEU A 72 -3.071 -3.208 3.321 1.00 0.00 N ATOM 339 CA LEU A 72 -2.179 -2.125 2.809 1.00 0.00 C ATOM 340 C LEU A 72 -2.811 -1.469 1.580 1.00 0.00 C ATOM 341 O LEU A 72 -2.654 -0.286 1.348 1.00 0.00 O ATOM 342 CB LEU A 72 -0.869 -2.825 2.431 1.00 0.00 C ATOM 343 CG LEU A 72 0.161 -2.628 3.545 1.00 0.00 C ATOM 344 CD1 LEU A 72 1.385 -3.503 3.270 1.00 0.00 C ATOM 345 CD2 LEU A 72 0.585 -1.158 3.595 1.00 0.00 C ATOM 0 H LEU A 72 -2.698 -4.153 3.231 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.017 -1.339 3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.047 -3.888 2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.487 -2.421 1.494 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.280 -2.911 4.501 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.119 -3.362 4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.084 -4.550 3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.826 -3.221 2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.319 -1.018 4.389 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.025 -0.874 2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.287 -0.534 3.793 1.00 0.00 H new ATOM 357 N GLU A 73 -3.531 -2.233 0.796 1.00 0.00 N ATOM 358 CA GLU A 73 -4.184 -1.659 -0.420 1.00 0.00 C ATOM 359 C GLU A 73 -5.285 -0.684 -0.007 1.00 0.00 C ATOM 360 O GLU A 73 -5.490 0.338 -0.636 1.00 0.00 O ATOM 361 CB GLU A 73 -4.777 -2.855 -1.166 1.00 0.00 C ATOM 362 CG GLU A 73 -3.745 -3.405 -2.153 1.00 0.00 C ATOM 363 CD GLU A 73 -3.680 -2.497 -3.383 1.00 0.00 C ATOM 364 OE1 GLU A 73 -4.715 -2.283 -3.991 1.00 0.00 O ATOM 365 OE2 GLU A 73 -2.596 -2.033 -3.695 1.00 0.00 O ATOM 0 H GLU A 73 -3.694 -3.229 0.946 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.481 -1.107 -1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.068 -3.631 -0.458 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -5.680 -2.554 -1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.766 -3.462 -1.678 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.014 -4.419 -2.450 1.00 0.00 H new ATOM 372 N GLU A 74 -5.988 -0.990 1.052 1.00 0.00 N ATOM 373 CA GLU A 74 -7.076 -0.079 1.523 1.00 0.00 C ATOM 374 C GLU A 74 -6.457 1.186 2.120 1.00 0.00 C ATOM 375 O GLU A 74 -7.018 2.263 2.038 1.00 0.00 O ATOM 376 CB GLU A 74 -7.837 -0.870 2.597 1.00 0.00 C ATOM 377 CG GLU A 74 -9.327 -0.917 2.248 1.00 0.00 C ATOM 378 CD GLU A 74 -9.987 -2.088 2.980 1.00 0.00 C ATOM 379 OE1 GLU A 74 -9.662 -2.295 4.137 1.00 0.00 O ATOM 380 OE2 GLU A 74 -10.805 -2.756 2.370 1.00 0.00 O ATOM 0 H GLU A 74 -5.856 -1.832 1.612 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.740 0.231 0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.438 -1.882 2.667 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.697 -0.404 3.572 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.807 0.020 2.531 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.456 -1.028 1.171 1.00 0.00 H new ATOM 387 N LYS A 75 -5.299 1.058 2.713 1.00 0.00 N ATOM 388 CA LYS A 75 -4.624 2.246 3.315 1.00 0.00 C ATOM 389 C LYS A 75 -4.184 3.208 2.210 1.00 0.00 C ATOM 390 O LYS A 75 -4.234 4.413 2.370 1.00 0.00 O ATOM 391 CB LYS A 75 -3.407 1.687 4.056 1.00 0.00 C ATOM 392 CG LYS A 75 -2.802 2.777 4.943 1.00 0.00 C ATOM 393 CD LYS A 75 -3.663 2.955 6.194 1.00 0.00 C ATOM 394 CE LYS A 75 -2.834 3.623 7.293 1.00 0.00 C ATOM 395 NZ LYS A 75 -3.833 4.118 8.281 1.00 0.00 N ATOM 0 H LYS A 75 -4.790 0.179 2.807 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.282 2.801 3.984 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.700 0.831 4.663 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.665 1.332 3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.784 2.508 5.225 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.742 3.716 4.393 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.538 3.563 5.963 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.029 1.987 6.537 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.143 2.916 7.751 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.235 4.441 6.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.340 4.589 9.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.473 4.794 7.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.384 3.316 8.649 1.00 0.00 H new ATOM 409 N LEU A 76 -3.763 2.681 1.088 1.00 0.00 N ATOM 410 CA LEU A 76 -3.326 3.561 -0.038 1.00 0.00 C ATOM 411 C LEU A 76 -4.532 4.306 -0.613 1.00 0.00 C ATOM 412 O LEU A 76 -4.413 5.412 -1.104 1.00 0.00 O ATOM 413 CB LEU A 76 -2.730 2.617 -1.084 1.00 0.00 C ATOM 414 CG LEU A 76 -2.122 3.437 -2.224 1.00 0.00 C ATOM 415 CD1 LEU A 76 -0.805 4.060 -1.759 1.00 0.00 C ATOM 416 CD2 LEU A 76 -1.858 2.523 -3.423 1.00 0.00 C ATOM 0 H LEU A 76 -3.703 1.680 0.903 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.604 4.312 0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.967 1.987 -0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.502 1.952 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.815 4.227 -2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.372 4.644 -2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.992 4.710 -0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.111 3.271 -1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.425 3.105 -4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.165 1.733 -3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.796 2.078 -3.755 1.00 0.00 H new ATOM 428 N LEU A 77 -5.693 3.707 -0.544 1.00 0.00 N ATOM 429 CA LEU A 77 -6.918 4.375 -1.075 1.00 0.00 C ATOM 430 C LEU A 77 -7.363 5.477 -0.115 1.00 0.00 C ATOM 431 O LEU A 77 -7.785 6.541 -0.528 1.00 0.00 O ATOM 432 CB LEU A 77 -7.976 3.272 -1.158 1.00 0.00 C ATOM 433 CG LEU A 77 -7.917 2.611 -2.535 1.00 0.00 C ATOM 434 CD1 LEU A 77 -8.478 1.189 -2.446 1.00 0.00 C ATOM 435 CD2 LEU A 77 -8.752 3.425 -3.527 1.00 0.00 C ATOM 0 H LEU A 77 -5.845 2.782 -0.142 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.749 4.841 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.804 2.529 -0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.968 3.691 -0.986 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.882 2.572 -2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.435 0.719 -3.428 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.886 0.608 -1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.513 1.227 -2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.711 2.955 -4.509 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.787 3.463 -3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.354 4.438 -3.593 1.00 0.00 H new ATOM 447 N ALA A 78 -7.258 5.230 1.164 1.00 0.00 N ATOM 448 CA ALA A 78 -7.661 6.262 2.166 1.00 0.00 C ATOM 449 C ALA A 78 -6.671 7.429 2.139 1.00 0.00 C ATOM 450 O ALA A 78 -7.018 8.557 2.431 1.00 0.00 O ATOM 451 CB ALA A 78 -7.616 5.553 3.522 1.00 0.00 C ATOM 0 H ALA A 78 -6.910 4.357 1.559 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.650 6.671 1.960 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.901 6.252 4.308 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.309 4.712 3.516 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.606 5.189 3.709 1.00 0.00 H new ATOM 457 N LEU A 79 -5.439 7.160 1.787 1.00 0.00 N ATOM 458 CA LEU A 79 -4.414 8.246 1.733 1.00 0.00 C ATOM 459 C LEU A 79 -4.669 9.147 0.524 1.00 0.00 C ATOM 460 O LEU A 79 -4.496 10.350 0.590 1.00 0.00 O ATOM 461 CB LEU A 79 -3.070 7.522 1.596 1.00 0.00 C ATOM 462 CG LEU A 79 -2.003 8.246 2.422 1.00 0.00 C ATOM 463 CD1 LEU A 79 -2.372 8.195 3.907 1.00 0.00 C ATOM 464 CD2 LEU A 79 -0.652 7.559 2.213 1.00 0.00 C ATOM 0 H LEU A 79 -5.098 6.232 1.534 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.439 8.884 2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.166 6.490 1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.770 7.487 0.549 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.943 9.286 2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.609 8.712 4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.336 8.681 4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.434 7.156 4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.111 8.071 2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.719 6.519 2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.384 7.597 1.157 1.00 0.00 H new ATOM 476 N GLN A 80 -5.087 8.574 -0.577 1.00 0.00 N ATOM 477 CA GLN A 80 -5.364 9.396 -1.793 1.00 0.00 C ATOM 478 C GLN A 80 -6.614 10.249 -1.565 1.00 0.00 C ATOM 479 O GLN A 80 -6.737 11.339 -2.092 1.00 0.00 O ATOM 480 CB GLN A 80 -5.597 8.389 -2.922 1.00 0.00 C ATOM 481 CG GLN A 80 -4.251 7.847 -3.408 1.00 0.00 C ATOM 482 CD GLN A 80 -4.400 7.313 -4.834 1.00 0.00 C ATOM 483 OE1 GLN A 80 -5.366 6.643 -5.146 1.00 0.00 O ATOM 484 NE2 GLN A 80 -3.480 7.583 -5.718 1.00 0.00 N ATOM 0 H GLN A 80 -5.248 7.573 -0.686 1.00 0.00 H new ATOM 0 HA GLN A 80 -4.545 10.076 -2.029 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.225 7.571 -2.570 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.128 8.866 -3.746 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -3.498 8.635 -3.380 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -3.906 7.053 -2.745 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -2.670 8.145 -5.456 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -3.570 7.232 -6.672 1.00 0.00 H new ATOM 493 N GLU A 81 -7.534 9.759 -0.775 1.00 0.00 N ATOM 494 CA GLU A 81 -8.779 10.537 -0.495 1.00 0.00 C ATOM 495 C GLU A 81 -8.440 11.780 0.331 1.00 0.00 C ATOM 496 O GLU A 81 -9.118 12.789 0.254 1.00 0.00 O ATOM 497 CB GLU A 81 -9.678 9.589 0.304 1.00 0.00 C ATOM 498 CG GLU A 81 -10.704 8.943 -0.631 1.00 0.00 C ATOM 499 CD GLU A 81 -10.029 7.835 -1.442 1.00 0.00 C ATOM 500 OE1 GLU A 81 -9.287 8.164 -2.353 1.00 0.00 O ATOM 501 OE2 GLU A 81 -10.266 6.678 -1.138 1.00 0.00 O ATOM 0 H GLU A 81 -7.477 8.853 -0.311 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.267 10.879 -1.408 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.075 8.819 0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.188 10.137 1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.531 8.532 -0.052 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -11.125 9.693 -1.300 1.00 0.00 H new ATOM 508 N GLU A 82 -7.395 11.713 1.117 1.00 0.00 N ATOM 509 CA GLU A 82 -7.004 12.892 1.950 1.00 0.00 C ATOM 510 C GLU A 82 -6.541 14.037 1.043 1.00 0.00 C ATOM 511 O GLU A 82 -6.925 15.176 1.229 1.00 0.00 O ATOM 512 CB GLU A 82 -5.851 12.402 2.842 1.00 0.00 C ATOM 513 CG GLU A 82 -6.218 12.597 4.317 1.00 0.00 C ATOM 514 CD GLU A 82 -5.936 14.044 4.726 1.00 0.00 C ATOM 515 OE1 GLU A 82 -6.641 14.920 4.255 1.00 0.00 O ATOM 516 OE2 GLU A 82 -5.020 14.250 5.505 1.00 0.00 O ATOM 0 H GLU A 82 -6.796 10.894 1.218 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.834 13.270 2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.648 11.350 2.644 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.939 12.952 2.609 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.271 12.362 4.475 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.641 11.913 4.940 1.00 0.00 H new ATOM 523 N LYS A 83 -5.726 13.739 0.062 1.00 0.00 N ATOM 524 CA LYS A 83 -5.245 14.811 -0.863 1.00 0.00 C ATOM 525 C LYS A 83 -6.425 15.374 -1.656 1.00 0.00 C ATOM 526 O LYS A 83 -6.443 16.536 -2.018 1.00 0.00 O ATOM 527 CB LYS A 83 -4.246 14.126 -1.799 1.00 0.00 C ATOM 528 CG LYS A 83 -3.102 15.091 -2.118 1.00 0.00 C ATOM 529 CD LYS A 83 -2.039 14.366 -2.947 1.00 0.00 C ATOM 530 CE LYS A 83 -2.360 14.511 -4.437 1.00 0.00 C ATOM 531 NZ LYS A 83 -2.982 13.215 -4.824 1.00 0.00 N ATOM 0 H LYS A 83 -5.374 12.803 -0.138 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.785 15.642 -0.329 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.854 13.222 -1.332 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.744 13.819 -2.719 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.481 15.953 -2.667 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.663 15.469 -1.195 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.053 14.781 -2.735 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.007 13.312 -2.673 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.040 15.344 -4.615 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.459 14.705 -5.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.731 13.385 -5.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.258 12.591 -5.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.393 12.762 -3.983 1.00 0.00 H new ATOM 545 N HIS A 84 -7.411 14.556 -1.920 1.00 0.00 N ATOM 546 CA HIS A 84 -8.603 15.035 -2.683 1.00 0.00 C ATOM 547 C HIS A 84 -9.353 16.087 -1.866 1.00 0.00 C ATOM 548 O HIS A 84 -9.960 16.992 -2.409 1.00 0.00 O ATOM 549 CB HIS A 84 -9.476 13.796 -2.894 1.00 0.00 C ATOM 550 CG HIS A 84 -10.543 14.100 -3.910 1.00 0.00 C ATOM 551 ND1 HIS A 84 -10.685 13.363 -5.076 1.00 0.00 N ATOM 552 CD2 HIS A 84 -11.525 15.058 -3.950 1.00 0.00 C ATOM 553 CE1 HIS A 84 -11.719 13.885 -5.761 1.00 0.00 C ATOM 554 NE2 HIS A 84 -12.267 14.920 -5.120 1.00 0.00 N ATOM 0 H HIS A 84 -7.442 13.576 -1.640 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.328 15.497 -3.631 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.864 12.960 -3.233 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.932 13.495 -1.951 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.696 15.805 -3.189 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -12.064 13.512 -6.714 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -13.059 15.487 -5.422 1.00 0.00 H new ATOM 562 N GLN A 85 -9.309 15.976 -0.562 1.00 0.00 N ATOM 563 CA GLN A 85 -10.014 16.972 0.301 1.00 0.00 C ATOM 564 C GLN A 85 -9.370 18.350 0.136 1.00 0.00 C ATOM 565 O GLN A 85 -10.031 19.368 0.218 1.00 0.00 O ATOM 566 CB GLN A 85 -9.838 16.464 1.734 1.00 0.00 C ATOM 567 CG GLN A 85 -10.624 15.164 1.915 1.00 0.00 C ATOM 568 CD GLN A 85 -12.022 15.483 2.450 1.00 0.00 C ATOM 569 OE1 GLN A 85 -12.292 15.308 3.621 1.00 0.00 O ATOM 570 NE2 GLN A 85 -12.929 15.947 1.635 1.00 0.00 N ATOM 0 H GLN A 85 -8.816 15.239 -0.058 1.00 0.00 H new ATOM 0 HA GLN A 85 -11.067 17.074 0.039 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.782 16.295 1.944 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -10.188 17.215 2.443 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.699 14.636 0.964 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.101 14.503 2.606 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.703 16.094 0.651 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -13.864 16.162 1.982 1.00 0.00 H new ATOM 579 N LEU A 86 -8.082 18.384 -0.104 1.00 0.00 N ATOM 580 CA LEU A 86 -7.385 19.694 -0.285 1.00 0.00 C ATOM 581 C LEU A 86 -7.886 20.373 -1.561 1.00 0.00 C ATOM 582 O LEU A 86 -7.987 21.583 -1.631 1.00 0.00 O ATOM 583 CB LEU A 86 -5.899 19.350 -0.407 1.00 0.00 C ATOM 584 CG LEU A 86 -5.208 19.579 0.938 1.00 0.00 C ATOM 585 CD1 LEU A 86 -4.066 18.575 1.104 1.00 0.00 C ATOM 586 CD2 LEU A 86 -4.644 21.002 0.984 1.00 0.00 C ATOM 0 H LEU A 86 -7.484 17.561 -0.182 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.570 20.380 0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.780 18.312 -0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.434 19.967 -1.176 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.929 19.445 1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.574 18.739 2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.465 17.561 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.344 18.709 0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.151 21.167 1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.923 21.134 0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.456 21.719 0.865 1.00 0.00 H new ATOM 598 N PHE A 87 -8.207 19.597 -2.567 1.00 0.00 N ATOM 599 CA PHE A 87 -8.712 20.190 -3.845 1.00 0.00 C ATOM 600 C PHE A 87 -10.005 20.966 -3.583 1.00 0.00 C ATOM 601 O PHE A 87 -10.261 21.987 -4.192 1.00 0.00 O ATOM 602 CB PHE A 87 -8.976 19.000 -4.770 1.00 0.00 C ATOM 603 CG PHE A 87 -7.782 18.784 -5.669 1.00 0.00 C ATOM 604 CD1 PHE A 87 -6.725 17.969 -5.247 1.00 0.00 C ATOM 605 CD2 PHE A 87 -7.733 19.399 -6.926 1.00 0.00 C ATOM 606 CE1 PHE A 87 -5.618 17.771 -6.079 1.00 0.00 C ATOM 607 CE2 PHE A 87 -6.626 19.201 -7.759 1.00 0.00 C ATOM 608 CZ PHE A 87 -5.568 18.386 -7.337 1.00 0.00 C ATOM 0 H PHE A 87 -8.141 18.579 -2.559 1.00 0.00 H new ATOM 0 HA PHE A 87 -8.000 20.888 -4.285 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -9.167 18.103 -4.180 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -9.867 19.183 -5.370 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.764 17.493 -4.278 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -8.549 20.026 -7.253 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.802 17.144 -5.752 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.588 19.677 -8.728 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.715 18.232 -7.981 1.00 0.00 H new ATOM 618 N LEU A 88 -10.810 20.490 -2.670 1.00 0.00 N ATOM 619 CA LEU A 88 -12.086 21.197 -2.347 1.00 0.00 C ATOM 620 C LEU A 88 -11.781 22.514 -1.630 1.00 0.00 C ATOM 621 O LEU A 88 -12.521 23.474 -1.732 1.00 0.00 O ATOM 622 CB LEU A 88 -12.853 20.248 -1.423 1.00 0.00 C ATOM 623 CG LEU A 88 -13.736 19.320 -2.260 1.00 0.00 C ATOM 624 CD1 LEU A 88 -12.883 18.191 -2.841 1.00 0.00 C ATOM 625 CD2 LEU A 88 -14.832 18.726 -1.375 1.00 0.00 C ATOM 0 H LEU A 88 -10.639 19.640 -2.132 1.00 0.00 H new ATOM 0 HA LEU A 88 -12.662 21.440 -3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -12.154 19.661 -0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.466 20.819 -0.726 1.00 0.00 H new ATOM 0 HG LEU A 88 -14.191 19.886 -3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -13.512 17.530 -3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -12.101 18.614 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -12.428 17.624 -2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.462 18.065 -1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.377 18.159 -0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.440 19.530 -0.960 1.00 0.00 H new ATOM 637 N GLN A 89 -10.690 22.562 -0.909 1.00 0.00 N ATOM 638 CA GLN A 89 -10.316 23.810 -0.179 1.00 0.00 C ATOM 639 C GLN A 89 -9.340 24.653 -1.013 1.00 0.00 C ATOM 640 O GLN A 89 -9.132 25.820 -0.737 1.00 0.00 O ATOM 641 CB GLN A 89 -9.638 23.331 1.106 1.00 0.00 C ATOM 642 CG GLN A 89 -10.629 22.506 1.933 1.00 0.00 C ATOM 643 CD GLN A 89 -10.023 22.202 3.304 1.00 0.00 C ATOM 644 OE1 GLN A 89 -10.706 22.253 4.308 1.00 0.00 O ATOM 645 NE2 GLN A 89 -8.760 21.883 3.392 1.00 0.00 N ATOM 0 H GLN A 89 -10.039 21.785 -0.794 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.184 24.438 0.022 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.761 22.730 0.864 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.288 24.186 1.685 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.564 23.053 2.051 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -10.866 21.577 1.415 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.185 21.840 2.551 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.348 21.677 4.302 1.00 0.00 H new ATOM 654 N LEU A 90 -8.735 24.076 -2.029 1.00 0.00 N ATOM 655 CA LEU A 90 -7.766 24.846 -2.878 1.00 0.00 C ATOM 656 C LEU A 90 -8.403 26.148 -3.386 1.00 0.00 C ATOM 657 O LEU A 90 -7.703 27.146 -3.434 1.00 0.00 O ATOM 658 CB LEU A 90 -7.441 23.920 -4.054 1.00 0.00 C ATOM 659 CG LEU A 90 -6.392 24.580 -4.951 1.00 0.00 C ATOM 660 CD1 LEU A 90 -5.009 24.449 -4.309 1.00 0.00 C ATOM 661 CD2 LEU A 90 -6.387 23.892 -6.319 1.00 0.00 C ATOM 662 OXT LEU A 90 -9.576 26.120 -3.717 1.00 0.00 O ATOM 0 H LEU A 90 -8.871 23.104 -2.306 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.875 25.130 -2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.070 22.964 -3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.345 23.712 -4.627 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.634 25.636 -5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.264 24.920 -4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.012 24.939 -3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.765 23.394 -4.183 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.640 24.361 -6.959 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.147 22.836 -6.194 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.371 23.988 -6.778 1.00 0.00 H new ATOM 675 N GLY B 166 -9.793 29.454 -1.630 1.00 0.00 N ATOM 676 CA GLY B 166 -8.312 29.307 -1.531 1.00 0.00 C ATOM 677 C GLY B 166 -7.741 30.431 -0.668 1.00 0.00 C ATOM 678 O GLY B 166 -7.849 31.598 -0.995 1.00 0.00 O ATOM 0 HA2 GLY B 166 -8.061 28.339 -1.098 1.00 0.00 H new ATOM 0 HA3 GLY B 166 -7.866 29.336 -2.525 1.00 0.00 H new ATOM 684 N LEU B 167 -7.135 30.083 0.436 1.00 0.00 N ATOM 685 CA LEU B 167 -6.543 31.115 1.351 1.00 0.00 C ATOM 686 C LEU B 167 -5.645 32.106 0.588 1.00 0.00 C ATOM 687 O LEU B 167 -5.814 33.306 0.702 1.00 0.00 O ATOM 688 CB LEU B 167 -5.731 30.341 2.414 1.00 0.00 C ATOM 689 CG LEU B 167 -4.841 29.248 1.777 1.00 0.00 C ATOM 690 CD1 LEU B 167 -3.369 29.655 1.863 1.00 0.00 C ATOM 691 CD2 LEU B 167 -5.042 27.928 2.527 1.00 0.00 C ATOM 0 H LEU B 167 -7.021 29.119 0.750 1.00 0.00 H new ATOM 0 HA LEU B 167 -7.329 31.715 1.810 1.00 0.00 H new ATOM 0 HB2 LEU B 167 -5.106 31.038 2.972 1.00 0.00 H new ATOM 0 HB3 LEU B 167 -6.414 29.882 3.129 1.00 0.00 H new ATOM 0 HG LEU B 167 -5.120 29.127 0.730 1.00 0.00 H new ATOM 0 HD11 LEU B 167 -2.750 28.879 1.412 1.00 0.00 H new ATOM 0 HD12 LEU B 167 -3.219 30.594 1.330 1.00 0.00 H new ATOM 0 HD13 LEU B 167 -3.087 29.782 2.908 1.00 0.00 H new ATOM 0 HD21 LEU B 167 -4.416 27.156 2.080 1.00 0.00 H new ATOM 0 HD22 LEU B 167 -4.766 28.058 3.573 1.00 0.00 H new ATOM 0 HD23 LEU B 167 -6.088 27.629 2.463 1.00 0.00 H new ATOM 703 N SER B 168 -4.698 31.625 -0.181 1.00 0.00 N ATOM 704 CA SER B 168 -3.801 32.556 -0.936 1.00 0.00 C ATOM 705 C SER B 168 -3.253 31.900 -2.211 1.00 0.00 C ATOM 706 O SER B 168 -2.306 32.389 -2.798 1.00 0.00 O ATOM 707 CB SER B 168 -2.662 32.868 0.032 1.00 0.00 C ATOM 708 OG SER B 168 -1.750 31.779 0.049 1.00 0.00 O ATOM 0 H SER B 168 -4.508 30.632 -0.318 1.00 0.00 H new ATOM 0 HA SER B 168 -4.334 33.450 -1.261 1.00 0.00 H new ATOM 0 HB2 SER B 168 -2.150 33.781 -0.272 1.00 0.00 H new ATOM 0 HB3 SER B 168 -3.057 33.042 1.033 1.00 0.00 H new ATOM 0 HG SER B 168 -0.885 32.082 0.395 1.00 0.00 H new ATOM 714 N LYS B 169 -3.830 30.801 -2.649 1.00 0.00 N ATOM 715 CA LYS B 169 -3.334 30.113 -3.888 1.00 0.00 C ATOM 716 C LYS B 169 -1.815 29.908 -3.829 1.00 0.00 C ATOM 717 O LYS B 169 -1.150 29.824 -4.845 1.00 0.00 O ATOM 718 CB LYS B 169 -3.707 31.043 -5.042 1.00 0.00 C ATOM 719 CG LYS B 169 -3.663 30.265 -6.360 1.00 0.00 C ATOM 720 CD LYS B 169 -4.827 29.274 -6.408 1.00 0.00 C ATOM 721 CE LYS B 169 -5.025 28.787 -7.846 1.00 0.00 C ATOM 722 NZ LYS B 169 -6.438 28.321 -7.904 1.00 0.00 N ATOM 0 H LYS B 169 -4.626 30.350 -2.199 1.00 0.00 H new ATOM 0 HA LYS B 169 -3.775 29.123 -4.003 1.00 0.00 H new ATOM 0 HB2 LYS B 169 -4.704 31.455 -4.884 1.00 0.00 H new ATOM 0 HB3 LYS B 169 -3.017 31.886 -5.082 1.00 0.00 H new ATOM 0 HG2 LYS B 169 -3.723 30.953 -7.203 1.00 0.00 H new ATOM 0 HG3 LYS B 169 -2.715 29.734 -6.449 1.00 0.00 H new ATOM 0 HD2 LYS B 169 -4.625 28.428 -5.751 1.00 0.00 H new ATOM 0 HD3 LYS B 169 -5.738 29.749 -6.045 1.00 0.00 H new ATOM 0 HE2 LYS B 169 -4.844 29.588 -8.562 1.00 0.00 H new ATOM 0 HE3 LYS B 169 -4.333 27.980 -8.088 1.00 0.00 H new ATOM 0 HZ1 LYS B 169 -6.649 27.972 -8.861 1.00 0.00 H new ATOM 0 HZ2 LYS B 169 -6.579 27.554 -7.216 1.00 0.00 H new ATOM 0 HZ3 LYS B 169 -7.074 29.112 -7.676 1.00 0.00 H new ATOM 736 N GLU B 170 -1.270 29.831 -2.644 1.00 0.00 N ATOM 737 CA GLU B 170 0.200 29.635 -2.500 1.00 0.00 C ATOM 738 C GLU B 170 0.495 28.877 -1.208 1.00 0.00 C ATOM 739 O GLU B 170 1.245 27.918 -1.200 1.00 0.00 O ATOM 740 CB GLU B 170 0.789 31.044 -2.449 1.00 0.00 C ATOM 741 CG GLU B 170 2.316 30.957 -2.418 1.00 0.00 C ATOM 742 CD GLU B 170 2.911 32.352 -2.628 1.00 0.00 C ATOM 743 OE1 GLU B 170 2.503 33.260 -1.925 1.00 0.00 O ATOM 744 OE2 GLU B 170 3.765 32.485 -3.490 1.00 0.00 O ATOM 0 H GLU B 170 -1.784 29.896 -1.765 1.00 0.00 H new ATOM 0 HA GLU B 170 0.626 29.053 -3.318 1.00 0.00 H new ATOM 0 HB2 GLU B 170 0.464 31.617 -3.317 1.00 0.00 H new ATOM 0 HB3 GLU B 170 0.426 31.570 -1.566 1.00 0.00 H new ATOM 0 HG2 GLU B 170 2.648 30.548 -1.464 1.00 0.00 H new ATOM 0 HG3 GLU B 170 2.668 30.279 -3.195 1.00 0.00 H new ATOM 751 N GLU B 171 -0.100 29.294 -0.120 1.00 0.00 N ATOM 752 CA GLU B 171 0.134 28.588 1.171 1.00 0.00 C ATOM 753 C GLU B 171 -0.627 27.263 1.160 1.00 0.00 C ATOM 754 O GLU B 171 -0.194 26.282 1.735 1.00 0.00 O ATOM 755 CB GLU B 171 -0.400 29.527 2.259 1.00 0.00 C ATOM 756 CG GLU B 171 0.768 30.130 3.041 1.00 0.00 C ATOM 757 CD GLU B 171 0.399 31.542 3.502 1.00 0.00 C ATOM 758 OE1 GLU B 171 -0.697 31.709 4.012 1.00 0.00 O ATOM 759 OE2 GLU B 171 1.218 32.431 3.338 1.00 0.00 O ATOM 0 H GLU B 171 -0.735 30.090 -0.072 1.00 0.00 H new ATOM 0 HA GLU B 171 1.186 28.358 1.343 1.00 0.00 H new ATOM 0 HB2 GLU B 171 -0.996 30.320 1.807 1.00 0.00 H new ATOM 0 HB3 GLU B 171 -1.058 28.980 2.934 1.00 0.00 H new ATOM 0 HG2 GLU B 171 1.004 29.505 3.902 1.00 0.00 H new ATOM 0 HG3 GLU B 171 1.660 30.162 2.416 1.00 0.00 H new ATOM 766 N LEU B 172 -1.746 27.226 0.483 1.00 0.00 N ATOM 767 CA LEU B 172 -2.534 25.962 0.398 1.00 0.00 C ATOM 768 C LEU B 172 -1.860 25.012 -0.594 1.00 0.00 C ATOM 769 O LEU B 172 -1.967 23.804 -0.481 1.00 0.00 O ATOM 770 CB LEU B 172 -3.915 26.379 -0.113 1.00 0.00 C ATOM 771 CG LEU B 172 -4.961 25.368 0.361 1.00 0.00 C ATOM 772 CD1 LEU B 172 -6.360 25.862 -0.015 1.00 0.00 C ATOM 773 CD2 LEU B 172 -4.700 24.015 -0.309 1.00 0.00 C ATOM 0 H LEU B 172 -2.148 28.020 -0.016 1.00 0.00 H new ATOM 0 HA LEU B 172 -2.603 25.446 1.356 1.00 0.00 H new ATOM 0 HB2 LEU B 172 -4.164 27.375 0.253 1.00 0.00 H new ATOM 0 HB3 LEU B 172 -3.911 26.431 -1.202 1.00 0.00 H new ATOM 0 HG LEU B 172 -4.896 25.258 1.443 1.00 0.00 H new ATOM 0 HD11 LEU B 172 -7.104 25.141 0.323 1.00 0.00 H new ATOM 0 HD12 LEU B 172 -6.546 26.825 0.461 1.00 0.00 H new ATOM 0 HD13 LEU B 172 -6.428 25.973 -1.097 1.00 0.00 H new ATOM 0 HD21 LEU B 172 -5.444 23.293 0.027 1.00 0.00 H new ATOM 0 HD22 LEU B 172 -4.765 24.126 -1.391 1.00 0.00 H new ATOM 0 HD23 LEU B 172 -3.704 23.662 -0.040 1.00 0.00 H new ATOM 785 N ILE B 173 -1.162 25.553 -1.563 1.00 0.00 N ATOM 786 CA ILE B 173 -0.469 24.691 -2.565 1.00 0.00 C ATOM 787 C ILE B 173 0.682 23.940 -1.889 1.00 0.00 C ATOM 788 O ILE B 173 1.030 22.840 -2.278 1.00 0.00 O ATOM 789 CB ILE B 173 0.071 25.652 -3.634 1.00 0.00 C ATOM 790 CG1 ILE B 173 -1.081 26.469 -4.246 1.00 0.00 C ATOM 791 CG2 ILE B 173 0.774 24.853 -4.736 1.00 0.00 C ATOM 792 CD1 ILE B 173 -2.114 25.537 -4.892 1.00 0.00 C ATOM 0 H ILE B 173 -1.043 26.557 -1.701 1.00 0.00 H new ATOM 0 HA ILE B 173 -1.136 23.947 -3.000 1.00 0.00 H new ATOM 0 HB ILE B 173 0.781 26.335 -3.168 1.00 0.00 H new ATOM 0 HG12 ILE B 173 -1.559 27.071 -3.473 1.00 0.00 H new ATOM 0 HG13 ILE B 173 -0.689 27.160 -4.992 1.00 0.00 H new ATOM 0 HG21 ILE B 173 1.156 25.537 -5.494 1.00 0.00 H new ATOM 0 HG22 ILE B 173 1.601 24.289 -4.305 1.00 0.00 H new ATOM 0 HG23 ILE B 173 0.065 24.164 -5.194 1.00 0.00 H new ATOM 0 HD11 ILE B 173 -2.922 26.130 -5.320 1.00 0.00 H new ATOM 0 HD12 ILE B 173 -1.636 24.954 -5.679 1.00 0.00 H new ATOM 0 HD13 ILE B 173 -2.519 24.864 -4.137 1.00 0.00 H new ATOM 804 N GLN B 174 1.269 24.529 -0.877 1.00 0.00 N ATOM 805 CA GLN B 174 2.398 23.854 -0.166 1.00 0.00 C ATOM 806 C GLN B 174 1.871 22.667 0.644 1.00 0.00 C ATOM 807 O GLN B 174 2.568 21.693 0.855 1.00 0.00 O ATOM 808 CB GLN B 174 2.985 24.920 0.762 1.00 0.00 C ATOM 809 CG GLN B 174 4.271 24.388 1.400 1.00 0.00 C ATOM 810 CD GLN B 174 4.671 25.290 2.569 1.00 0.00 C ATOM 811 OE1 GLN B 174 4.632 24.876 3.711 1.00 0.00 O ATOM 812 NE2 GLN B 174 5.056 26.513 2.331 1.00 0.00 N ATOM 0 H GLN B 174 1.015 25.447 -0.513 1.00 0.00 H new ATOM 0 HA GLN B 174 3.146 23.465 -0.856 1.00 0.00 H new ATOM 0 HB2 GLN B 174 3.194 25.831 0.201 1.00 0.00 H new ATOM 0 HB3 GLN B 174 2.263 25.181 1.536 1.00 0.00 H new ATOM 0 HG2 GLN B 174 4.121 23.367 1.750 1.00 0.00 H new ATOM 0 HG3 GLN B 174 5.071 24.357 0.660 1.00 0.00 H new ATOM 0 HE21 GLN B 174 5.089 26.860 1.372 1.00 0.00 H new ATOM 0 HE22 GLN B 174 5.325 27.123 3.103 1.00 0.00 H new ATOM 821 N ASN B 175 0.646 22.745 1.094 1.00 0.00 N ATOM 822 CA ASN B 175 0.062 21.623 1.891 1.00 0.00 C ATOM 823 C ASN B 175 -0.307 20.460 0.968 1.00 0.00 C ATOM 824 O ASN B 175 -0.281 19.310 1.364 1.00 0.00 O ATOM 825 CB ASN B 175 -1.191 22.205 2.548 1.00 0.00 C ATOM 826 CG ASN B 175 -0.784 23.231 3.608 1.00 0.00 C ATOM 827 OD1 ASN B 175 0.273 23.124 4.198 1.00 0.00 O ATOM 828 ND2 ASN B 175 -1.583 24.227 3.875 1.00 0.00 N ATOM 0 H ASN B 175 0.023 23.538 0.944 1.00 0.00 H new ATOM 0 HA ASN B 175 0.763 21.235 2.631 1.00 0.00 H new ATOM 0 HB2 ASN B 175 -1.823 22.676 1.795 1.00 0.00 H new ATOM 0 HB3 ASN B 175 -1.778 21.408 3.005 1.00 0.00 H new ATOM 0 HD21 ASN B 175 -1.321 24.917 4.579 1.00 0.00 H new ATOM 0 HD22 ASN B 175 -2.470 24.316 3.379 1.00 0.00 H new ATOM 835 N MET B 176 -0.646 20.755 -0.261 1.00 0.00 N ATOM 836 CA MET B 176 -1.014 19.672 -1.223 1.00 0.00 C ATOM 837 C MET B 176 0.245 18.942 -1.697 1.00 0.00 C ATOM 838 O MET B 176 0.208 17.771 -2.021 1.00 0.00 O ATOM 839 CB MET B 176 -1.695 20.387 -2.395 1.00 0.00 C ATOM 840 CG MET B 176 -3.213 20.189 -2.312 1.00 0.00 C ATOM 841 SD MET B 176 -3.910 20.130 -3.982 1.00 0.00 S ATOM 842 CE MET B 176 -5.374 21.139 -3.650 1.00 0.00 C ATOM 0 H MET B 176 -0.684 21.701 -0.641 1.00 0.00 H new ATOM 0 HA MET B 176 -1.667 18.925 -0.772 1.00 0.00 H new ATOM 0 HB2 MET B 176 -1.456 21.450 -2.373 1.00 0.00 H new ATOM 0 HB3 MET B 176 -1.319 19.995 -3.340 1.00 0.00 H new ATOM 0 HG2 MET B 176 -3.441 19.266 -1.779 1.00 0.00 H new ATOM 0 HG3 MET B 176 -3.666 21.004 -1.747 1.00 0.00 H new ATOM 0 HE1 MET B 176 -5.660 21.674 -4.556 1.00 0.00 H new ATOM 0 HE2 MET B 176 -6.195 20.496 -3.333 1.00 0.00 H new ATOM 0 HE3 MET B 176 -5.150 21.856 -2.861 1.00 0.00 H new ATOM 852 N ASP B 177 1.358 19.630 -1.736 1.00 0.00 N ATOM 853 CA ASP B 177 2.628 18.985 -2.187 1.00 0.00 C ATOM 854 C ASP B 177 3.184 18.089 -1.078 1.00 0.00 C ATOM 855 O ASP B 177 3.813 17.081 -1.341 1.00 0.00 O ATOM 856 CB ASP B 177 3.587 20.141 -2.476 1.00 0.00 C ATOM 857 CG ASP B 177 3.354 20.654 -3.898 1.00 0.00 C ATOM 858 OD1 ASP B 177 2.234 21.040 -4.191 1.00 0.00 O ATOM 859 OD2 ASP B 177 4.299 20.654 -4.668 1.00 0.00 O ATOM 0 H ASP B 177 1.442 20.612 -1.474 1.00 0.00 H new ATOM 0 HA ASP B 177 2.481 18.355 -3.064 1.00 0.00 H new ATOM 0 HB2 ASP B 177 3.430 20.946 -1.758 1.00 0.00 H new ATOM 0 HB3 ASP B 177 4.619 19.809 -2.362 1.00 0.00 H new ATOM 864 N ARG B 178 2.949 18.449 0.157 1.00 0.00 N ATOM 865 CA ARG B 178 3.455 17.619 1.293 1.00 0.00 C ATOM 866 C ARG B 178 2.593 16.364 1.449 1.00 0.00 C ATOM 867 O ARG B 178 3.057 15.336 1.903 1.00 0.00 O ATOM 868 CB ARG B 178 3.338 18.514 2.534 1.00 0.00 C ATOM 869 CG ARG B 178 4.731 18.964 2.981 1.00 0.00 C ATOM 870 CD ARG B 178 5.091 20.280 2.288 1.00 0.00 C ATOM 871 NE ARG B 178 5.641 19.878 0.964 1.00 0.00 N ATOM 872 CZ ARG B 178 6.788 20.352 0.562 1.00 0.00 C ATOM 873 NH1 ARG B 178 6.850 21.538 0.020 1.00 0.00 N ATOM 874 NH2 ARG B 178 7.874 19.643 0.704 1.00 0.00 N ATOM 0 H ARG B 178 2.428 19.283 0.429 1.00 0.00 H new ATOM 0 HA ARG B 178 4.480 17.285 1.135 1.00 0.00 H new ATOM 0 HB2 ARG B 178 2.719 19.383 2.310 1.00 0.00 H new ATOM 0 HB3 ARG B 178 2.845 17.971 3.340 1.00 0.00 H new ATOM 0 HG2 ARG B 178 4.753 19.093 4.063 1.00 0.00 H new ATOM 0 HG3 ARG B 178 5.468 18.199 2.736 1.00 0.00 H new ATOM 0 HD2 ARG B 178 4.215 20.919 2.174 1.00 0.00 H new ATOM 0 HD3 ARG B 178 5.824 20.843 2.866 1.00 0.00 H new ATOM 0 HE ARG B 178 5.121 19.232 0.371 1.00 0.00 H new ATOM 0 HH11 ARG B 178 6.002 22.094 -0.089 1.00 0.00 H new ATOM 0 HH12 ARG B 178 7.747 21.909 -0.294 1.00 0.00 H new ATOM 0 HH21 ARG B 178 7.827 18.717 1.130 1.00 0.00 H new ATOM 0 HH22 ARG B 178 8.770 20.014 0.389 1.00 0.00 H new ATOM 888 N VAL B 179 1.342 16.444 1.070 1.00 0.00 N ATOM 889 CA VAL B 179 0.440 15.258 1.189 1.00 0.00 C ATOM 890 C VAL B 179 0.753 14.257 0.074 1.00 0.00 C ATOM 891 O VAL B 179 0.624 13.060 0.248 1.00 0.00 O ATOM 892 CB VAL B 179 -0.982 15.813 1.039 1.00 0.00 C ATOM 893 CG1 VAL B 179 -1.997 14.671 1.152 1.00 0.00 C ATOM 894 CG2 VAL B 179 -1.254 16.841 2.144 1.00 0.00 C ATOM 0 H VAL B 179 0.906 17.281 0.683 1.00 0.00 H new ATOM 0 HA VAL B 179 0.565 14.734 2.136 1.00 0.00 H new ATOM 0 HB VAL B 179 -1.077 16.291 0.064 1.00 0.00 H new ATOM 0 HG11 VAL B 179 -3.006 15.069 1.045 1.00 0.00 H new ATOM 0 HG12 VAL B 179 -1.810 13.939 0.366 1.00 0.00 H new ATOM 0 HG13 VAL B 179 -1.898 14.191 2.126 1.00 0.00 H new ATOM 0 HG21 VAL B 179 -2.265 17.234 2.035 1.00 0.00 H new ATOM 0 HG22 VAL B 179 -1.154 16.363 3.118 1.00 0.00 H new ATOM 0 HG23 VAL B 179 -0.537 17.658 2.065 1.00 0.00 H new ATOM 904 N ASP B 180 1.169 14.743 -1.068 1.00 0.00 N ATOM 905 CA ASP B 180 1.499 13.825 -2.201 1.00 0.00 C ATOM 906 C ASP B 180 2.821 13.107 -1.922 1.00 0.00 C ATOM 907 O ASP B 180 3.033 11.990 -2.355 1.00 0.00 O ATOM 908 CB ASP B 180 1.626 14.728 -3.429 1.00 0.00 C ATOM 909 CG ASP B 180 1.837 13.868 -4.676 1.00 0.00 C ATOM 910 OD1 ASP B 180 1.183 12.844 -4.783 1.00 0.00 O ATOM 911 OD2 ASP B 180 2.650 14.248 -5.502 1.00 0.00 O ATOM 0 H ASP B 180 1.295 15.736 -1.265 1.00 0.00 H new ATOM 0 HA ASP B 180 0.740 13.056 -2.345 1.00 0.00 H new ATOM 0 HB2 ASP B 180 0.728 15.335 -3.541 1.00 0.00 H new ATOM 0 HB3 ASP B 180 2.462 15.416 -3.303 1.00 0.00 H new ATOM 916 N ARG B 181 3.705 13.743 -1.197 1.00 0.00 N ATOM 917 CA ARG B 181 5.016 13.105 -0.875 1.00 0.00 C ATOM 918 C ARG B 181 4.816 12.000 0.165 1.00 0.00 C ATOM 919 O ARG B 181 5.544 11.026 0.197 1.00 0.00 O ATOM 920 CB ARG B 181 5.884 14.231 -0.307 1.00 0.00 C ATOM 921 CG ARG B 181 7.298 14.137 -0.888 1.00 0.00 C ATOM 922 CD ARG B 181 7.346 14.848 -2.245 1.00 0.00 C ATOM 923 NE ARG B 181 8.602 15.652 -2.223 1.00 0.00 N ATOM 924 CZ ARG B 181 9.052 16.186 -3.326 1.00 0.00 C ATOM 925 NH1 ARG B 181 9.808 15.487 -4.127 1.00 0.00 N ATOM 926 NH2 ARG B 181 8.745 17.418 -3.627 1.00 0.00 N ATOM 0 H ARG B 181 3.575 14.679 -0.813 1.00 0.00 H new ATOM 0 HA ARG B 181 5.478 12.644 -1.748 1.00 0.00 H new ATOM 0 HB2 ARG B 181 5.445 15.199 -0.549 1.00 0.00 H new ATOM 0 HB3 ARG B 181 5.922 14.161 0.780 1.00 0.00 H new ATOM 0 HG2 ARG B 181 8.014 14.591 -0.203 1.00 0.00 H new ATOM 0 HG3 ARG B 181 7.586 13.092 -1.003 1.00 0.00 H new ATOM 0 HD2 ARG B 181 7.353 14.130 -3.065 1.00 0.00 H new ATOM 0 HD3 ARG B 181 6.473 15.485 -2.386 1.00 0.00 H new ATOM 0 HE ARG B 181 9.109 15.784 -1.348 1.00 0.00 H new ATOM 0 HH11 ARG B 181 10.047 14.524 -3.891 1.00 0.00 H new ATOM 0 HH12 ARG B 181 10.160 15.904 -4.989 1.00 0.00 H new ATOM 0 HH21 ARG B 181 8.153 17.964 -3.000 1.00 0.00 H new ATOM 0 HH22 ARG B 181 9.097 17.835 -4.489 1.00 0.00 H new ATOM 940 N GLU B 182 3.829 12.148 1.012 1.00 0.00 N ATOM 941 CA GLU B 182 3.568 11.108 2.054 1.00 0.00 C ATOM 942 C GLU B 182 2.966 9.861 1.407 1.00 0.00 C ATOM 943 O GLU B 182 3.289 8.745 1.771 1.00 0.00 O ATOM 944 CB GLU B 182 2.572 11.746 3.023 1.00 0.00 C ATOM 945 CG GLU B 182 2.887 11.296 4.451 1.00 0.00 C ATOM 946 CD GLU B 182 3.994 12.178 5.033 1.00 0.00 C ATOM 947 OE1 GLU B 182 3.717 13.331 5.317 1.00 0.00 O ATOM 948 OE2 GLU B 182 5.099 11.683 5.183 1.00 0.00 O ATOM 0 H GLU B 182 3.192 12.945 1.027 1.00 0.00 H new ATOM 0 HA GLU B 182 4.480 10.797 2.564 1.00 0.00 H new ATOM 0 HB2 GLU B 182 2.626 12.832 2.953 1.00 0.00 H new ATOM 0 HB3 GLU B 182 1.555 11.459 2.756 1.00 0.00 H new ATOM 0 HG2 GLU B 182 1.992 11.362 5.070 1.00 0.00 H new ATOM 0 HG3 GLU B 182 3.200 10.252 4.454 1.00 0.00 H new ATOM 955 N ILE B 183 2.100 10.046 0.445 1.00 0.00 N ATOM 956 CA ILE B 183 1.475 8.873 -0.240 1.00 0.00 C ATOM 957 C ILE B 183 2.543 8.107 -1.032 1.00 0.00 C ATOM 958 O ILE B 183 2.436 6.912 -1.236 1.00 0.00 O ATOM 959 CB ILE B 183 0.415 9.464 -1.176 1.00 0.00 C ATOM 960 CG1 ILE B 183 -0.625 10.223 -0.346 1.00 0.00 C ATOM 961 CG2 ILE B 183 -0.281 8.338 -1.946 1.00 0.00 C ATOM 962 CD1 ILE B 183 -1.601 10.944 -1.278 1.00 0.00 C ATOM 0 H ILE B 183 1.798 10.958 0.103 1.00 0.00 H new ATOM 0 HA ILE B 183 1.031 8.168 0.463 1.00 0.00 H new ATOM 0 HB ILE B 183 0.895 10.143 -1.881 1.00 0.00 H new ATOM 0 HG12 ILE B 183 -1.167 9.530 0.298 1.00 0.00 H new ATOM 0 HG13 ILE B 183 -0.130 10.943 0.305 1.00 0.00 H new ATOM 0 HG21 ILE B 183 -1.034 8.763 -2.610 1.00 0.00 H new ATOM 0 HG22 ILE B 183 0.455 7.791 -2.535 1.00 0.00 H new ATOM 0 HG23 ILE B 183 -0.761 7.658 -1.242 1.00 0.00 H new ATOM 0 HD11 ILE B 183 -2.340 11.483 -0.685 1.00 0.00 H new ATOM 0 HD12 ILE B 183 -1.053 11.649 -1.903 1.00 0.00 H new ATOM 0 HD13 ILE B 183 -2.106 10.214 -1.911 1.00 0.00 H new ATOM 974 N THR B 184 3.572 8.789 -1.471 1.00 0.00 N ATOM 975 CA THR B 184 4.654 8.105 -2.243 1.00 0.00 C ATOM 976 C THR B 184 5.408 7.133 -1.333 1.00 0.00 C ATOM 977 O THR B 184 5.823 6.070 -1.757 1.00 0.00 O ATOM 978 CB THR B 184 5.583 9.226 -2.718 1.00 0.00 C ATOM 979 OG1 THR B 184 4.808 10.264 -3.301 1.00 0.00 O ATOM 980 CG2 THR B 184 6.564 8.675 -3.754 1.00 0.00 C ATOM 0 H THR B 184 3.709 9.790 -1.328 1.00 0.00 H new ATOM 0 HA THR B 184 4.262 7.526 -3.079 1.00 0.00 H new ATOM 0 HB THR B 184 6.141 9.621 -1.869 1.00 0.00 H new ATOM 0 HG1 THR B 184 4.536 10.899 -2.606 1.00 0.00 H new ATOM 0 HG21 THR B 184 7.224 9.474 -4.091 1.00 0.00 H new ATOM 0 HG22 THR B 184 7.158 7.879 -3.305 1.00 0.00 H new ATOM 0 HG23 THR B 184 6.010 8.279 -4.605 1.00 0.00 H new ATOM 988 N MET B 185 5.580 7.489 -0.085 1.00 0.00 N ATOM 989 CA MET B 185 6.302 6.585 0.863 1.00 0.00 C ATOM 990 C MET B 185 5.424 5.380 1.202 1.00 0.00 C ATOM 991 O MET B 185 5.903 4.270 1.336 1.00 0.00 O ATOM 992 CB MET B 185 6.559 7.432 2.112 1.00 0.00 C ATOM 993 CG MET B 185 7.873 6.994 2.762 1.00 0.00 C ATOM 994 SD MET B 185 8.021 7.758 4.397 1.00 0.00 S ATOM 995 CE MET B 185 9.185 6.566 5.102 1.00 0.00 C ATOM 0 H MET B 185 5.252 8.366 0.319 1.00 0.00 H new ATOM 0 HA MET B 185 7.230 6.199 0.441 1.00 0.00 H new ATOM 0 HB2 MET B 185 6.607 8.488 1.845 1.00 0.00 H new ATOM 0 HB3 MET B 185 5.736 7.318 2.818 1.00 0.00 H new ATOM 0 HG2 MET B 185 7.902 5.908 2.852 1.00 0.00 H new ATOM 0 HG3 MET B 185 8.716 7.285 2.135 1.00 0.00 H new ATOM 0 HE1 MET B 185 9.419 6.850 6.128 1.00 0.00 H new ATOM 0 HE2 MET B 185 8.738 5.572 5.093 1.00 0.00 H new ATOM 0 HE3 MET B 185 10.100 6.557 4.510 1.00 0.00 H new ATOM 1005 N VAL B 186 4.140 5.593 1.335 1.00 0.00 N ATOM 1006 CA VAL B 186 3.217 4.461 1.658 1.00 0.00 C ATOM 1007 C VAL B 186 3.048 3.568 0.426 1.00 0.00 C ATOM 1008 O VAL B 186 2.848 2.375 0.537 1.00 0.00 O ATOM 1009 CB VAL B 186 1.885 5.117 2.041 1.00 0.00 C ATOM 1010 CG1 VAL B 186 0.864 4.038 2.416 1.00 0.00 C ATOM 1011 CG2 VAL B 186 2.096 6.048 3.239 1.00 0.00 C ATOM 0 H VAL B 186 3.689 6.502 1.234 1.00 0.00 H new ATOM 0 HA VAL B 186 3.596 3.832 2.464 1.00 0.00 H new ATOM 0 HB VAL B 186 1.513 5.690 1.192 1.00 0.00 H new ATOM 0 HG11 VAL B 186 -0.081 4.509 2.687 1.00 0.00 H new ATOM 0 HG12 VAL B 186 0.707 3.374 1.566 1.00 0.00 H new ATOM 0 HG13 VAL B 186 1.238 3.462 3.262 1.00 0.00 H new ATOM 0 HG21 VAL B 186 1.148 6.513 3.510 1.00 0.00 H new ATOM 0 HG22 VAL B 186 2.472 5.473 4.085 1.00 0.00 H new ATOM 0 HG23 VAL B 186 2.818 6.821 2.976 1.00 0.00 H new ATOM 1021 N GLU B 187 3.135 4.145 -0.745 1.00 0.00 N ATOM 1022 CA GLU B 187 2.987 3.339 -1.994 1.00 0.00 C ATOM 1023 C GLU B 187 4.245 2.500 -2.230 1.00 0.00 C ATOM 1024 O GLU B 187 4.190 1.438 -2.822 1.00 0.00 O ATOM 1025 CB GLU B 187 2.806 4.363 -3.117 1.00 0.00 C ATOM 1026 CG GLU B 187 2.313 3.655 -4.380 1.00 0.00 C ATOM 1027 CD GLU B 187 2.411 4.609 -5.572 1.00 0.00 C ATOM 1028 OE1 GLU B 187 1.547 5.461 -5.696 1.00 0.00 O ATOM 1029 OE2 GLU B 187 3.349 4.472 -6.340 1.00 0.00 O ATOM 0 H GLU B 187 3.302 5.141 -0.890 1.00 0.00 H new ATOM 0 HA GLU B 187 2.146 2.647 -1.940 1.00 0.00 H new ATOM 0 HB2 GLU B 187 2.091 5.128 -2.814 1.00 0.00 H new ATOM 0 HB3 GLU B 187 3.750 4.870 -3.317 1.00 0.00 H new ATOM 0 HG2 GLU B 187 2.910 2.762 -4.565 1.00 0.00 H new ATOM 0 HG3 GLU B 187 1.282 3.327 -4.247 1.00 0.00 H new ATOM 1036 N GLN B 188 5.375 2.969 -1.767 1.00 0.00 N ATOM 1037 CA GLN B 188 6.644 2.202 -1.957 1.00 0.00 C ATOM 1038 C GLN B 188 6.673 0.995 -1.017 1.00 0.00 C ATOM 1039 O GLN B 188 7.270 -0.021 -1.320 1.00 0.00 O ATOM 1040 CB GLN B 188 7.765 3.183 -1.606 1.00 0.00 C ATOM 1041 CG GLN B 188 9.012 2.851 -2.429 1.00 0.00 C ATOM 1042 CD GLN B 188 9.036 3.709 -3.696 1.00 0.00 C ATOM 1043 OE1 GLN B 188 10.079 4.179 -4.105 1.00 0.00 O ATOM 1044 NE2 GLN B 188 7.923 3.935 -4.340 1.00 0.00 N ATOM 0 H GLN B 188 5.474 3.851 -1.265 1.00 0.00 H new ATOM 0 HA GLN B 188 6.746 1.820 -2.973 1.00 0.00 H new ATOM 0 HB2 GLN B 188 7.445 4.205 -1.808 1.00 0.00 H new ATOM 0 HB3 GLN B 188 7.993 3.125 -0.542 1.00 0.00 H new ATOM 0 HG2 GLN B 188 9.909 3.033 -1.838 1.00 0.00 H new ATOM 0 HG3 GLN B 188 9.014 1.794 -2.694 1.00 0.00 H new ATOM 0 HE21 GLN B 188 7.047 3.541 -3.998 1.00 0.00 H new ATOM 0 HE22 GLN B 188 7.930 4.506 -5.185 1.00 0.00 H new ATOM 1053 N GLN B 189 6.028 1.101 0.115 1.00 0.00 N ATOM 1054 CA GLN B 189 6.008 -0.039 1.080 1.00 0.00 C ATOM 1055 C GLN B 189 5.060 -1.130 0.579 1.00 0.00 C ATOM 1056 O GLN B 189 5.327 -2.309 0.718 1.00 0.00 O ATOM 1057 CB GLN B 189 5.500 0.556 2.398 1.00 0.00 C ATOM 1058 CG GLN B 189 6.317 -0.005 3.568 1.00 0.00 C ATOM 1059 CD GLN B 189 7.379 1.012 3.992 1.00 0.00 C ATOM 1060 OE1 GLN B 189 7.618 1.203 5.167 1.00 0.00 O ATOM 1061 NE2 GLN B 189 8.029 1.678 3.076 1.00 0.00 N ATOM 0 H GLN B 189 5.513 1.929 0.414 1.00 0.00 H new ATOM 0 HA GLN B 189 6.990 -0.498 1.199 1.00 0.00 H new ATOM 0 HB2 GLN B 189 5.582 1.643 2.373 1.00 0.00 H new ATOM 0 HB3 GLN B 189 4.445 0.319 2.532 1.00 0.00 H new ATOM 0 HG2 GLN B 189 5.660 -0.230 4.408 1.00 0.00 H new ATOM 0 HG3 GLN B 189 6.793 -0.941 3.276 1.00 0.00 H new ATOM 0 HE21 GLN B 189 7.828 1.517 2.089 1.00 0.00 H new ATOM 0 HE22 GLN B 189 8.738 2.359 3.347 1.00 0.00 H new ATOM 1070 N ILE B 190 3.957 -0.741 -0.010 1.00 0.00 N ATOM 1071 CA ILE B 190 2.985 -1.751 -0.531 1.00 0.00 C ATOM 1072 C ILE B 190 3.557 -2.416 -1.785 1.00 0.00 C ATOM 1073 O ILE B 190 3.288 -3.569 -2.065 1.00 0.00 O ATOM 1074 CB ILE B 190 1.714 -0.962 -0.864 1.00 0.00 C ATOM 1075 CG1 ILE B 190 1.197 -0.268 0.400 1.00 0.00 C ATOM 1076 CG2 ILE B 190 0.639 -1.919 -1.389 1.00 0.00 C ATOM 1077 CD1 ILE B 190 0.019 0.640 0.042 1.00 0.00 C ATOM 0 H ILE B 190 3.687 0.232 -0.153 1.00 0.00 H new ATOM 0 HA ILE B 190 2.781 -2.543 0.190 1.00 0.00 H new ATOM 0 HB ILE B 190 1.942 -0.216 -1.625 1.00 0.00 H new ATOM 0 HG12 ILE B 190 0.886 -1.012 1.134 1.00 0.00 H new ATOM 0 HG13 ILE B 190 1.994 0.317 0.858 1.00 0.00 H new ATOM 0 HG21 ILE B 190 -0.264 -1.357 -1.625 1.00 0.00 H new ATOM 0 HG22 ILE B 190 1.003 -2.417 -2.288 1.00 0.00 H new ATOM 0 HG23 ILE B 190 0.413 -2.665 -0.627 1.00 0.00 H new ATOM 0 HD11 ILE B 190 -0.347 1.133 0.943 1.00 0.00 H new ATOM 0 HD12 ILE B 190 0.345 1.392 -0.676 1.00 0.00 H new ATOM 0 HD13 ILE B 190 -0.781 0.043 -0.396 1.00 0.00 H new ATOM 1089 N SER B 191 4.354 -1.696 -2.533 1.00 0.00 N ATOM 1090 CA SER B 191 4.961 -2.281 -3.768 1.00 0.00 C ATOM 1091 C SER B 191 6.029 -3.302 -3.380 1.00 0.00 C ATOM 1092 O SER B 191 6.205 -4.310 -4.040 1.00 0.00 O ATOM 1093 CB SER B 191 5.587 -1.101 -4.511 1.00 0.00 C ATOM 1094 OG SER B 191 4.562 -0.350 -5.148 1.00 0.00 O ATOM 0 H SER B 191 4.611 -0.728 -2.342 1.00 0.00 H new ATOM 0 HA SER B 191 4.228 -2.797 -4.388 1.00 0.00 H new ATOM 0 HB2 SER B 191 6.138 -0.469 -3.815 1.00 0.00 H new ATOM 0 HB3 SER B 191 6.303 -1.460 -5.250 1.00 0.00 H new ATOM 0 HG SER B 191 4.258 0.363 -4.548 1.00 0.00 H new ATOM 1100 N LYS B 192 6.735 -3.052 -2.307 1.00 0.00 N ATOM 1101 CA LYS B 192 7.789 -4.011 -1.860 1.00 0.00 C ATOM 1102 C LYS B 192 7.126 -5.229 -1.213 1.00 0.00 C ATOM 1103 O LYS B 192 7.564 -6.350 -1.387 1.00 0.00 O ATOM 1104 CB LYS B 192 8.630 -3.243 -0.839 1.00 0.00 C ATOM 1105 CG LYS B 192 9.270 -2.025 -1.512 1.00 0.00 C ATOM 1106 CD LYS B 192 10.666 -2.396 -2.018 1.00 0.00 C ATOM 1107 CE LYS B 192 11.520 -1.132 -2.134 1.00 0.00 C ATOM 1108 NZ LYS B 192 12.066 -0.910 -0.766 1.00 0.00 N ATOM 0 H LYS B 192 6.627 -2.224 -1.721 1.00 0.00 H new ATOM 0 HA LYS B 192 8.403 -4.374 -2.684 1.00 0.00 H new ATOM 0 HB2 LYS B 192 8.005 -2.924 -0.005 1.00 0.00 H new ATOM 0 HB3 LYS B 192 9.403 -3.892 -0.428 1.00 0.00 H new ATOM 0 HG2 LYS B 192 8.649 -1.686 -2.341 1.00 0.00 H new ATOM 0 HG3 LYS B 192 9.336 -1.198 -0.805 1.00 0.00 H new ATOM 0 HD2 LYS B 192 11.136 -3.104 -1.335 1.00 0.00 H new ATOM 0 HD3 LYS B 192 10.594 -2.889 -2.987 1.00 0.00 H new ATOM 0 HE2 LYS B 192 12.320 -1.262 -2.862 1.00 0.00 H new ATOM 0 HE3 LYS B 192 10.924 -0.281 -2.464 1.00 0.00 H new ATOM 0 HZ1 LYS B 192 12.273 0.101 -0.635 1.00 0.00 H new ATOM 0 HZ2 LYS B 192 11.366 -1.214 -0.059 1.00 0.00 H new ATOM 0 HZ3 LYS B 192 12.940 -1.461 -0.647 1.00 0.00 H new ATOM 1122 N LEU B 193 6.064 -5.011 -0.481 1.00 0.00 N ATOM 1123 CA LEU B 193 5.352 -6.152 0.170 1.00 0.00 C ATOM 1124 C LEU B 193 4.618 -6.970 -0.896 1.00 0.00 C ATOM 1125 O LEU B 193 4.448 -8.167 -0.762 1.00 0.00 O ATOM 1126 CB LEU B 193 4.357 -5.508 1.139 1.00 0.00 C ATOM 1127 CG LEU B 193 4.326 -6.303 2.449 1.00 0.00 C ATOM 1128 CD1 LEU B 193 4.170 -5.341 3.628 1.00 0.00 C ATOM 1129 CD2 LEU B 193 3.145 -7.277 2.430 1.00 0.00 C ATOM 0 H LEU B 193 5.659 -4.092 -0.306 1.00 0.00 H new ATOM 0 HA LEU B 193 6.031 -6.828 0.689 1.00 0.00 H new ATOM 0 HB2 LEU B 193 4.643 -4.475 1.336 1.00 0.00 H new ATOM 0 HB3 LEU B 193 3.363 -5.484 0.693 1.00 0.00 H new ATOM 0 HG LEU B 193 5.257 -6.861 2.554 1.00 0.00 H new ATOM 0 HD11 LEU B 193 4.148 -5.907 4.559 1.00 0.00 H new ATOM 0 HD12 LEU B 193 5.010 -4.647 3.645 1.00 0.00 H new ATOM 0 HD13 LEU B 193 3.240 -4.782 3.521 1.00 0.00 H new ATOM 0 HD21 LEU B 193 3.124 -7.842 3.362 1.00 0.00 H new ATOM 0 HD22 LEU B 193 2.215 -6.719 2.323 1.00 0.00 H new ATOM 0 HD23 LEU B 193 3.254 -7.965 1.591 1.00 0.00 H new ATOM 1141 N LYS B 194 4.193 -6.329 -1.956 1.00 0.00 N ATOM 1142 CA LYS B 194 3.478 -7.062 -3.043 1.00 0.00 C ATOM 1143 C LYS B 194 4.462 -7.966 -3.786 1.00 0.00 C ATOM 1144 O LYS B 194 4.151 -9.094 -4.119 1.00 0.00 O ATOM 1145 CB LYS B 194 2.931 -5.977 -3.974 1.00 0.00 C ATOM 1146 CG LYS B 194 2.041 -6.620 -5.039 1.00 0.00 C ATOM 1147 CD LYS B 194 0.698 -7.008 -4.416 1.00 0.00 C ATOM 1148 CE LYS B 194 -0.090 -7.875 -5.399 1.00 0.00 C ATOM 1149 NZ LYS B 194 -1.514 -7.488 -5.197 1.00 0.00 N ATOM 0 H LYS B 194 4.311 -5.328 -2.115 1.00 0.00 H new ATOM 0 HA LYS B 194 2.679 -7.697 -2.661 1.00 0.00 H new ATOM 0 HB2 LYS B 194 2.361 -5.245 -3.402 1.00 0.00 H new ATOM 0 HB3 LYS B 194 3.753 -5.441 -4.447 1.00 0.00 H new ATOM 0 HG2 LYS B 194 1.884 -5.926 -5.864 1.00 0.00 H new ATOM 0 HG3 LYS B 194 2.530 -7.502 -5.453 1.00 0.00 H new ATOM 0 HD2 LYS B 194 0.861 -7.551 -3.485 1.00 0.00 H new ATOM 0 HD3 LYS B 194 0.128 -6.113 -4.167 1.00 0.00 H new ATOM 0 HE2 LYS B 194 0.226 -7.694 -6.426 1.00 0.00 H new ATOM 0 HE3 LYS B 194 0.063 -8.936 -5.200 1.00 0.00 H new ATOM 0 HZ1 LYS B 194 -2.118 -8.041 -5.838 1.00 0.00 H new ATOM 0 HZ2 LYS B 194 -1.789 -7.678 -4.212 1.00 0.00 H new ATOM 0 HZ3 LYS B 194 -1.631 -6.475 -5.400 1.00 0.00 H new ATOM 1163 N LYS B 195 5.652 -7.479 -4.037 1.00 0.00 N ATOM 1164 CA LYS B 195 6.669 -8.315 -4.747 1.00 0.00 C ATOM 1165 C LYS B 195 7.081 -9.482 -3.849 1.00 0.00 C ATOM 1166 O LYS B 195 7.399 -10.558 -4.320 1.00 0.00 O ATOM 1167 CB LYS B 195 7.856 -7.381 -5.007 1.00 0.00 C ATOM 1168 CG LYS B 195 7.893 -6.992 -6.487 1.00 0.00 C ATOM 1169 CD LYS B 195 8.533 -8.122 -7.297 1.00 0.00 C ATOM 1170 CE LYS B 195 9.201 -7.541 -8.546 1.00 0.00 C ATOM 1171 NZ LYS B 195 8.089 -7.338 -9.516 1.00 0.00 N ATOM 0 H LYS B 195 5.963 -6.542 -3.782 1.00 0.00 H new ATOM 0 HA LYS B 195 6.289 -8.737 -5.677 1.00 0.00 H new ATOM 0 HB2 LYS B 195 7.770 -6.488 -4.388 1.00 0.00 H new ATOM 0 HB3 LYS B 195 8.787 -7.874 -4.727 1.00 0.00 H new ATOM 0 HG2 LYS B 195 6.883 -6.798 -6.848 1.00 0.00 H new ATOM 0 HG3 LYS B 195 8.460 -6.070 -6.618 1.00 0.00 H new ATOM 0 HD2 LYS B 195 9.269 -8.647 -6.689 1.00 0.00 H new ATOM 0 HD3 LYS B 195 7.776 -8.852 -7.583 1.00 0.00 H new ATOM 0 HE2 LYS B 195 9.707 -6.602 -8.323 1.00 0.00 H new ATOM 0 HE3 LYS B 195 9.954 -8.222 -8.944 1.00 0.00 H new ATOM 0 HZ1 LYS B 195 8.470 -6.957 -10.406 1.00 0.00 H new ATOM 0 HZ2 LYS B 195 7.620 -8.247 -9.701 1.00 0.00 H new ATOM 0 HZ3 LYS B 195 7.400 -6.667 -9.119 1.00 0.00 H new ATOM 1185 N LYS B 196 7.061 -9.276 -2.555 1.00 0.00 N ATOM 1186 CA LYS B 196 7.434 -10.374 -1.612 1.00 0.00 C ATOM 1187 C LYS B 196 6.429 -11.518 -1.746 1.00 0.00 C ATOM 1188 O LYS B 196 6.780 -12.680 -1.659 1.00 0.00 O ATOM 1189 CB LYS B 196 7.361 -9.747 -0.215 1.00 0.00 C ATOM 1190 CG LYS B 196 7.749 -10.785 0.842 1.00 0.00 C ATOM 1191 CD LYS B 196 6.988 -10.500 2.139 1.00 0.00 C ATOM 1192 CE LYS B 196 5.489 -10.715 1.914 1.00 0.00 C ATOM 1193 NZ LYS B 196 4.922 -10.924 3.276 1.00 0.00 N ATOM 0 H LYS B 196 6.802 -8.395 -2.112 1.00 0.00 H new ATOM 0 HA LYS B 196 8.424 -10.784 -1.812 1.00 0.00 H new ATOM 0 HB2 LYS B 196 8.030 -8.888 -0.157 1.00 0.00 H new ATOM 0 HB3 LYS B 196 6.353 -9.380 -0.024 1.00 0.00 H new ATOM 0 HG2 LYS B 196 7.517 -11.788 0.484 1.00 0.00 H new ATOM 0 HG3 LYS B 196 8.823 -10.752 1.023 1.00 0.00 H new ATOM 0 HD2 LYS B 196 7.344 -11.156 2.933 1.00 0.00 H new ATOM 0 HD3 LYS B 196 7.174 -9.476 2.464 1.00 0.00 H new ATOM 0 HE2 LYS B 196 5.035 -9.853 1.425 1.00 0.00 H new ATOM 0 HE3 LYS B 196 5.306 -11.577 1.273 1.00 0.00 H new ATOM 0 HZ1 LYS B 196 4.016 -10.420 3.356 1.00 0.00 H new ATOM 0 HZ2 LYS B 196 4.768 -11.940 3.436 1.00 0.00 H new ATOM 0 HZ3 LYS B 196 5.586 -10.558 3.988 1.00 0.00 H new ATOM 1207 N GLN B 197 5.183 -11.190 -1.968 1.00 0.00 N ATOM 1208 CA GLN B 197 4.140 -12.250 -2.124 1.00 0.00 C ATOM 1209 C GLN B 197 4.455 -13.102 -3.355 1.00 0.00 C ATOM 1210 O GLN B 197 4.145 -14.278 -3.403 1.00 0.00 O ATOM 1211 CB GLN B 197 2.821 -11.495 -2.314 1.00 0.00 C ATOM 1212 CG GLN B 197 1.670 -12.496 -2.438 1.00 0.00 C ATOM 1213 CD GLN B 197 0.336 -11.749 -2.405 1.00 0.00 C ATOM 1214 OE1 GLN B 197 0.046 -10.961 -3.283 1.00 0.00 O ATOM 1215 NE2 GLN B 197 -0.492 -11.962 -1.419 1.00 0.00 N ATOM 0 H GLN B 197 4.841 -10.232 -2.048 1.00 0.00 H new ATOM 0 HA GLN B 197 4.096 -12.921 -1.266 1.00 0.00 H new ATOM 0 HB2 GLN B 197 2.647 -10.828 -1.469 1.00 0.00 H new ATOM 0 HB3 GLN B 197 2.872 -10.872 -3.207 1.00 0.00 H new ATOM 0 HG2 GLN B 197 1.761 -13.057 -3.368 1.00 0.00 H new ATOM 0 HG3 GLN B 197 1.714 -13.219 -1.624 1.00 0.00 H new ATOM 0 HE21 GLN B 197 -0.248 -12.624 -0.682 1.00 0.00 H new ATOM 0 HE22 GLN B 197 -1.383 -11.467 -1.385 1.00 0.00 H new ATOM 1224 N GLN B 198 5.078 -12.514 -4.345 1.00 0.00 N ATOM 1225 CA GLN B 198 5.430 -13.281 -5.580 1.00 0.00 C ATOM 1226 C GLN B 198 6.369 -14.433 -5.227 1.00 0.00 C ATOM 1227 O GLN B 198 6.227 -15.537 -5.719 1.00 0.00 O ATOM 1228 CB GLN B 198 6.136 -12.278 -6.494 1.00 0.00 C ATOM 1229 CG GLN B 198 6.150 -12.812 -7.926 1.00 0.00 C ATOM 1230 CD GLN B 198 4.872 -12.377 -8.646 1.00 0.00 C ATOM 1231 OE1 GLN B 198 4.178 -13.191 -9.221 1.00 0.00 O ATOM 1232 NE2 GLN B 198 4.531 -11.118 -8.637 1.00 0.00 N ATOM 0 H GLN B 198 5.359 -11.533 -4.352 1.00 0.00 H new ATOM 0 HA GLN B 198 4.552 -13.714 -6.059 1.00 0.00 H new ATOM 0 HB2 GLN B 198 5.625 -11.316 -6.459 1.00 0.00 H new ATOM 0 HB3 GLN B 198 7.156 -12.110 -6.148 1.00 0.00 H new ATOM 0 HG2 GLN B 198 7.025 -12.436 -8.457 1.00 0.00 H new ATOM 0 HG3 GLN B 198 6.224 -13.899 -7.919 1.00 0.00 H new ATOM 0 HE21 GLN B 198 5.114 -10.435 -8.154 1.00 0.00 H new ATOM 0 HE22 GLN B 198 3.681 -10.816 -9.113 1.00 0.00 H new ATOM 1241 N GLN B 199 7.324 -14.181 -4.371 1.00 0.00 N ATOM 1242 CA GLN B 199 8.281 -15.257 -3.970 1.00 0.00 C ATOM 1243 C GLN B 199 7.525 -16.398 -3.287 1.00 0.00 C ATOM 1244 O GLN B 199 7.688 -17.555 -3.631 1.00 0.00 O ATOM 1245 CB GLN B 199 9.250 -14.592 -2.989 1.00 0.00 C ATOM 1246 CG GLN B 199 10.447 -14.028 -3.755 1.00 0.00 C ATOM 1247 CD GLN B 199 10.132 -12.605 -4.220 1.00 0.00 C ATOM 1248 OE1 GLN B 199 9.923 -11.722 -3.411 1.00 0.00 O ATOM 1249 NE2 GLN B 199 10.089 -12.344 -5.498 1.00 0.00 N ATOM 0 H GLN B 199 7.484 -13.275 -3.931 1.00 0.00 H new ATOM 0 HA GLN B 199 8.805 -15.683 -4.825 1.00 0.00 H new ATOM 0 HB2 GLN B 199 8.744 -13.794 -2.446 1.00 0.00 H new ATOM 0 HB3 GLN B 199 9.588 -15.317 -2.248 1.00 0.00 H new ATOM 0 HG2 GLN B 199 11.332 -14.026 -3.118 1.00 0.00 H new ATOM 0 HG3 GLN B 199 10.674 -14.660 -4.613 1.00 0.00 H new ATOM 0 HE21 GLN B 199 10.265 -13.085 -6.176 1.00 0.00 H new ATOM 0 HE22 GLN B 199 9.880 -11.399 -5.819 1.00 0.00 H new ATOM 1258 N LEU B 200 6.694 -16.078 -2.329 1.00 0.00 N ATOM 1259 CA LEU B 200 5.914 -17.140 -1.623 1.00 0.00 C ATOM 1260 C LEU B 200 4.890 -17.751 -2.582 1.00 0.00 C ATOM 1261 O LEU B 200 4.538 -18.911 -2.470 1.00 0.00 O ATOM 1262 CB LEU B 200 5.209 -16.426 -0.467 1.00 0.00 C ATOM 1263 CG LEU B 200 4.464 -17.452 0.388 1.00 0.00 C ATOM 1264 CD1 LEU B 200 5.464 -18.213 1.260 1.00 0.00 C ATOM 1265 CD2 LEU B 200 3.453 -16.730 1.283 1.00 0.00 C ATOM 0 H LEU B 200 6.521 -15.127 -2.004 1.00 0.00 H new ATOM 0 HA LEU B 200 6.548 -17.951 -1.264 1.00 0.00 H new ATOM 0 HB2 LEU B 200 5.937 -15.890 0.142 1.00 0.00 H new ATOM 0 HB3 LEU B 200 4.511 -15.685 -0.855 1.00 0.00 H new ATOM 0 HG LEU B 200 3.941 -18.154 -0.261 1.00 0.00 H new ATOM 0 HD11 LEU B 200 4.933 -18.944 1.869 1.00 0.00 H new ATOM 0 HD12 LEU B 200 6.185 -18.726 0.624 1.00 0.00 H new ATOM 0 HD13 LEU B 200 5.988 -17.512 1.909 1.00 0.00 H new ATOM 0 HD21 LEU B 200 2.921 -17.460 1.893 1.00 0.00 H new ATOM 0 HD22 LEU B 200 3.977 -16.028 1.931 1.00 0.00 H new ATOM 0 HD23 LEU B 200 2.740 -16.187 0.662 1.00 0.00 H new ATOM 1277 N GLU B 201 4.416 -16.978 -3.526 1.00 0.00 N ATOM 1278 CA GLU B 201 3.418 -17.506 -4.504 1.00 0.00 C ATOM 1279 C GLU B 201 4.120 -18.377 -5.546 1.00 0.00 C ATOM 1280 O GLU B 201 3.555 -19.325 -6.057 1.00 0.00 O ATOM 1281 CB GLU B 201 2.804 -16.267 -5.162 1.00 0.00 C ATOM 1282 CG GLU B 201 1.648 -15.752 -4.302 1.00 0.00 C ATOM 1283 CD GLU B 201 0.573 -15.144 -5.204 1.00 0.00 C ATOM 1284 OE1 GLU B 201 -0.188 -15.902 -5.782 1.00 0.00 O ATOM 1285 OE2 GLU B 201 0.529 -13.927 -5.303 1.00 0.00 O ATOM 0 H GLU B 201 4.678 -16.002 -3.662 1.00 0.00 H new ATOM 0 HA GLU B 201 2.659 -18.126 -4.027 1.00 0.00 H new ATOM 0 HB2 GLU B 201 3.560 -15.490 -5.276 1.00 0.00 H new ATOM 0 HB3 GLU B 201 2.446 -16.513 -6.162 1.00 0.00 H new ATOM 0 HG2 GLU B 201 1.226 -16.568 -3.715 1.00 0.00 H new ATOM 0 HG3 GLU B 201 2.011 -15.005 -3.596 1.00 0.00 H new