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 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0999 X(o=-0.1,f=-0.078) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0131) USER MOD Single : A 80 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.39) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.797 K(o=-0.8,f=-0.13) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 89 GLN : amide:sc= -0.0818 X(o=-0.082,f=0) USER MOD Single : B 168 SER OG : rot 180:sc= 0 USER MOD Single : B 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 174 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : B 175 ASN : amide:sc= -0.809 K(o=-0.81,f=-1.4) USER MOD Single : B 176 MET CE :methyl -153:sc= -7.27! (180deg=-9.7!) USER MOD Single : B 184 THR OG1 : rot 82:sc= 0.199 USER MOD Single : B 185 MET CE :methyl -166:sc= -0.0227 (180deg=-0.148) USER MOD Single : B 188 GLN : amide:sc= -0.593 K(o=-0.59,f=0) USER MOD Single : B 189 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.15) USER MOD Single : B 191 SER OG : rot 180:sc= 0 USER MOD Single : B 192 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 194 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0112) USER MOD Single : B 195 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 196 LYS NZ :NH3+ 138:sc= -0.17 (180deg=-1.6!) USER MOD Single : B 197 GLN : amide:sc= -3.14 K(o=-3.1,f=-4.5!) USER MOD Single : B 198 GLN : amide:sc= -0.365 X(o=-0.37,f=-0.12) USER MOD Single : B 199 GLN : amide:sc=-0.00632 X(o=-0.0063,f=0) USER MOD ----------------------------------------------------------------- ATOM 161 N LEU A 62 0.677 -18.424 3.374 1.00 0.00 N ATOM 162 CA LEU A 62 0.452 -17.527 2.199 1.00 0.00 C ATOM 163 C LEU A 62 -0.959 -16.938 2.252 1.00 0.00 C ATOM 164 O LEU A 62 -1.203 -15.848 1.770 1.00 0.00 O ATOM 165 CB LEU A 62 0.613 -18.423 0.969 1.00 0.00 C ATOM 166 CG LEU A 62 1.285 -17.631 -0.155 1.00 0.00 C ATOM 167 CD1 LEU A 62 1.801 -18.597 -1.223 1.00 0.00 C ATOM 168 CD2 LEU A 62 0.269 -16.675 -0.782 1.00 0.00 C ATOM 0 HA LEU A 62 1.149 -16.690 2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.212 -19.299 1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.361 -18.786 0.640 1.00 0.00 H new ATOM 0 HG LEU A 62 2.120 -17.060 0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.280 -18.033 -2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.525 -19.279 -0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.967 -19.168 -1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.747 -16.110 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.565 -17.246 -1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.099 -15.986 -0.022 1.00 0.00 H new ATOM 180 N GLU A 63 -1.887 -17.653 2.837 1.00 0.00 N ATOM 181 CA GLU A 63 -3.288 -17.138 2.928 1.00 0.00 C ATOM 182 C GLU A 63 -3.352 -15.969 3.911 1.00 0.00 C ATOM 183 O GLU A 63 -4.086 -15.018 3.713 1.00 0.00 O ATOM 184 CB GLU A 63 -4.121 -18.316 3.438 1.00 0.00 C ATOM 185 CG GLU A 63 -4.679 -19.098 2.248 1.00 0.00 C ATOM 186 CD GLU A 63 -5.721 -20.104 2.741 1.00 0.00 C ATOM 187 OE1 GLU A 63 -6.526 -19.730 3.577 1.00 0.00 O ATOM 188 OE2 GLU A 63 -5.696 -21.231 2.273 1.00 0.00 O ATOM 0 H GLU A 63 -1.735 -18.571 3.255 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.655 -16.772 1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.507 -18.968 4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.937 -17.955 4.064 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.130 -18.414 1.529 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.873 -19.618 1.731 1.00 0.00 H new ATOM 195 N GLU A 64 -2.581 -16.032 4.965 1.00 0.00 N ATOM 196 CA GLU A 64 -2.582 -14.923 5.966 1.00 0.00 C ATOM 197 C GLU A 64 -1.832 -13.716 5.402 1.00 0.00 C ATOM 198 O GLU A 64 -2.141 -12.580 5.712 1.00 0.00 O ATOM 199 CB GLU A 64 -1.857 -15.484 7.192 1.00 0.00 C ATOM 200 CG GLU A 64 -2.243 -14.676 8.435 1.00 0.00 C ATOM 201 CD GLU A 64 -1.165 -13.628 8.724 1.00 0.00 C ATOM 202 OE1 GLU A 64 -0.589 -13.120 7.775 1.00 0.00 O ATOM 203 OE2 GLU A 64 -0.934 -13.351 9.889 1.00 0.00 O ATOM 0 H GLU A 64 -1.950 -16.805 5.177 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.590 -14.590 6.215 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.118 -16.533 7.333 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.779 -15.442 7.040 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.205 -14.189 8.279 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.357 -15.340 9.292 1.00 0.00 H new ATOM 210 N THR A 65 -0.855 -13.958 4.566 1.00 0.00 N ATOM 211 CA THR A 65 -0.081 -12.832 3.965 1.00 0.00 C ATOM 212 C THR A 65 -0.934 -12.131 2.906 1.00 0.00 C ATOM 213 O THR A 65 -0.807 -10.941 2.682 1.00 0.00 O ATOM 214 CB THR A 65 1.148 -13.480 3.325 1.00 0.00 C ATOM 215 OG1 THR A 65 1.865 -14.208 4.312 1.00 0.00 O ATOM 216 CG2 THR A 65 2.049 -12.398 2.731 1.00 0.00 C ATOM 0 H THR A 65 -0.560 -14.889 4.273 1.00 0.00 H new ATOM 0 HA THR A 65 0.203 -12.082 4.703 1.00 0.00 H new ATOM 0 HB THR A 65 0.830 -14.157 2.533 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.652 -14.625 3.903 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.924 -12.862 2.276 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.498 -11.841 1.973 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.369 -11.717 3.520 1.00 0.00 H new ATOM 224 N LYS A 66 -1.806 -12.862 2.258 1.00 0.00 N ATOM 225 CA LYS A 66 -2.680 -12.245 1.213 1.00 0.00 C ATOM 226 C LYS A 66 -3.702 -11.313 1.867 1.00 0.00 C ATOM 227 O LYS A 66 -4.146 -10.349 1.269 1.00 0.00 O ATOM 228 CB LYS A 66 -3.385 -13.420 0.530 1.00 0.00 C ATOM 229 CG LYS A 66 -2.593 -13.841 -0.709 1.00 0.00 C ATOM 230 CD LYS A 66 -2.811 -12.819 -1.826 1.00 0.00 C ATOM 231 CE LYS A 66 -4.224 -12.973 -2.391 1.00 0.00 C ATOM 232 NZ LYS A 66 -4.093 -12.675 -3.844 1.00 0.00 N ATOM 0 H LYS A 66 -1.951 -13.861 2.408 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.111 -11.647 0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.471 -14.258 1.222 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.398 -13.135 0.247 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.532 -13.912 -0.469 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.912 -14.830 -1.039 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.670 -11.809 -1.442 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.074 -12.965 -2.616 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.607 -13.980 -2.228 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.919 -12.286 -1.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.023 -12.760 -4.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.733 -11.707 -3.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.431 -13.349 -4.278 1.00 0.00 H new ATOM 246 N GLU A 67 -4.079 -11.595 3.088 1.00 0.00 N ATOM 247 CA GLU A 67 -5.074 -10.728 3.791 1.00 0.00 C ATOM 248 C GLU A 67 -4.441 -9.382 4.148 1.00 0.00 C ATOM 249 O GLU A 67 -5.100 -8.359 4.154 1.00 0.00 O ATOM 250 CB GLU A 67 -5.457 -11.496 5.058 1.00 0.00 C ATOM 251 CG GLU A 67 -6.629 -12.430 4.754 1.00 0.00 C ATOM 252 CD GLU A 67 -7.294 -12.856 6.065 1.00 0.00 C ATOM 253 OE1 GLU A 67 -7.590 -11.985 6.867 1.00 0.00 O ATOM 254 OE2 GLU A 67 -7.495 -14.046 6.246 1.00 0.00 O ATOM 0 H GLU A 67 -3.740 -12.390 3.630 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.945 -10.516 3.170 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.604 -12.071 5.419 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.730 -10.799 5.850 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.353 -11.926 4.113 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.278 -13.307 4.210 1.00 0.00 H new ATOM 261 N GLN A 68 -3.167 -9.380 4.444 1.00 0.00 N ATOM 262 CA GLN A 68 -2.480 -8.101 4.800 1.00 0.00 C ATOM 263 C GLN A 68 -2.307 -7.237 3.551 1.00 0.00 C ATOM 264 O GLN A 68 -2.389 -6.025 3.606 1.00 0.00 O ATOM 265 CB GLN A 68 -1.118 -8.516 5.363 1.00 0.00 C ATOM 266 CG GLN A 68 -0.359 -7.274 5.833 1.00 0.00 C ATOM 267 CD GLN A 68 -0.969 -6.767 7.140 1.00 0.00 C ATOM 268 OE1 GLN A 68 -0.673 -7.280 8.201 1.00 0.00 O ATOM 269 NE2 GLN A 68 -1.815 -5.774 7.111 1.00 0.00 N ATOM 0 H GLN A 68 -2.572 -10.208 4.455 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.049 -7.513 5.520 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.252 -9.209 6.194 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.542 -9.040 4.600 1.00 0.00 H new ATOM 0 HG2 GLN A 68 0.694 -7.512 5.980 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.407 -6.496 5.071 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -2.064 -5.342 6.221 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.227 -5.429 7.978 1.00 0.00 H new ATOM 278 N ILE A 69 -2.077 -7.859 2.424 1.00 0.00 N ATOM 279 CA ILE A 69 -1.907 -7.085 1.157 1.00 0.00 C ATOM 280 C ILE A 69 -3.241 -6.443 0.758 1.00 0.00 C ATOM 281 O ILE A 69 -3.274 -5.414 0.112 1.00 0.00 O ATOM 282 CB ILE A 69 -1.455 -8.109 0.110 1.00 0.00 C ATOM 283 CG1 ILE A 69 -0.131 -8.738 0.554 1.00 0.00 C ATOM 284 CG2 ILE A 69 -1.256 -7.418 -1.241 1.00 0.00 C ATOM 285 CD1 ILE A 69 0.207 -9.919 -0.357 1.00 0.00 C ATOM 0 H ILE A 69 -1.999 -8.871 2.326 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.182 -6.277 1.258 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.217 -8.882 0.012 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.667 -7.996 0.516 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.205 -9.073 1.589 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.935 -8.151 -1.981 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.195 -6.967 -1.561 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.496 -6.643 -1.145 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.149 -10.365 -0.040 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.586 -10.664 -0.296 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.299 -9.570 -1.386 1.00 0.00 H new ATOM 297 N LEU A 70 -4.339 -7.043 1.149 1.00 0.00 N ATOM 298 CA LEU A 70 -5.674 -6.467 0.803 1.00 0.00 C ATOM 299 C LEU A 70 -5.900 -5.174 1.590 1.00 0.00 C ATOM 300 O LEU A 70 -6.350 -4.181 1.050 1.00 0.00 O ATOM 301 CB LEU A 70 -6.694 -7.532 1.211 1.00 0.00 C ATOM 302 CG LEU A 70 -7.990 -7.325 0.425 1.00 0.00 C ATOM 303 CD1 LEU A 70 -8.851 -8.586 0.517 1.00 0.00 C ATOM 304 CD2 LEU A 70 -8.760 -6.140 1.013 1.00 0.00 C ATOM 0 H LEU A 70 -4.367 -7.906 1.692 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.757 -6.220 -0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.294 -8.527 1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.891 -7.471 2.281 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.752 -7.123 -0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.774 -8.438 -0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.304 -9.431 0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.089 -8.789 1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.683 -5.992 0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.997 -6.342 2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.148 -5.240 0.948 1.00 0.00 H new ATOM 316 N LYS A 71 -5.583 -5.180 2.860 1.00 0.00 N ATOM 317 CA LYS A 71 -5.767 -3.948 3.686 1.00 0.00 C ATOM 318 C LYS A 71 -4.831 -2.847 3.184 1.00 0.00 C ATOM 319 O LYS A 71 -5.138 -1.672 3.264 1.00 0.00 O ATOM 320 CB LYS A 71 -5.398 -4.356 5.114 1.00 0.00 C ATOM 321 CG LYS A 71 -6.369 -5.431 5.605 1.00 0.00 C ATOM 322 CD LYS A 71 -7.526 -4.769 6.357 1.00 0.00 C ATOM 323 CE LYS A 71 -7.188 -4.689 7.847 1.00 0.00 C ATOM 324 NZ LYS A 71 -8.312 -3.926 8.456 1.00 0.00 N ATOM 0 H LYS A 71 -5.205 -5.984 3.361 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.785 -3.561 3.631 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.376 -4.734 5.143 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.436 -3.488 5.773 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.751 -6.004 4.760 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.851 -6.133 6.258 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.707 -3.770 5.960 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.443 -5.341 6.211 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.102 -5.683 8.286 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.235 -4.185 8.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.152 -3.829 9.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.365 -2.982 8.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.205 -4.433 8.292 1.00 0.00 H new ATOM 338 N LEU A 72 -3.692 -3.225 2.661 1.00 0.00 N ATOM 339 CA LEU A 72 -2.725 -2.212 2.142 1.00 0.00 C ATOM 340 C LEU A 72 -3.315 -1.504 0.919 1.00 0.00 C ATOM 341 O LEU A 72 -3.012 -0.356 0.652 1.00 0.00 O ATOM 342 CB LEU A 72 -1.479 -3.009 1.751 1.00 0.00 C ATOM 343 CG LEU A 72 -0.446 -2.932 2.876 1.00 0.00 C ATOM 344 CD1 LEU A 72 0.450 -4.171 2.835 1.00 0.00 C ATOM 345 CD2 LEU A 72 0.413 -1.677 2.695 1.00 0.00 C ATOM 0 H LEU A 72 -3.390 -4.195 2.571 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.497 -1.443 2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.745 -4.048 1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.056 -2.612 0.828 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.960 -2.887 3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.186 -4.115 3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.160 -5.065 2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.963 -4.217 1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.150 -1.621 3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.925 -1.722 1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.224 -0.793 2.725 1.00 0.00 H new ATOM 357 N GLU A 73 -4.155 -2.182 0.178 1.00 0.00 N ATOM 358 CA GLU A 73 -4.773 -1.550 -1.028 1.00 0.00 C ATOM 359 C GLU A 73 -5.739 -0.446 -0.603 1.00 0.00 C ATOM 360 O GLU A 73 -5.728 0.644 -1.144 1.00 0.00 O ATOM 361 CB GLU A 73 -5.523 -2.679 -1.739 1.00 0.00 C ATOM 362 CG GLU A 73 -5.930 -2.219 -3.141 1.00 0.00 C ATOM 363 CD GLU A 73 -6.306 -3.437 -3.987 1.00 0.00 C ATOM 364 OE1 GLU A 73 -6.995 -4.301 -3.472 1.00 0.00 O ATOM 365 OE2 GLU A 73 -5.897 -3.484 -5.135 1.00 0.00 O ATOM 0 H GLU A 73 -4.440 -3.145 0.356 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.029 -1.091 -1.679 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.891 -3.565 -1.805 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.407 -2.960 -1.166 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.773 -1.531 -3.079 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.109 -1.676 -3.610 1.00 0.00 H new ATOM 372 N GLU A 74 -6.568 -0.721 0.369 1.00 0.00 N ATOM 373 CA GLU A 74 -7.537 0.312 0.847 1.00 0.00 C ATOM 374 C GLU A 74 -6.773 1.494 1.445 1.00 0.00 C ATOM 375 O GLU A 74 -7.214 2.626 1.386 1.00 0.00 O ATOM 376 CB GLU A 74 -8.381 -0.385 1.919 1.00 0.00 C ATOM 377 CG GLU A 74 -9.862 -0.070 1.696 1.00 0.00 C ATOM 378 CD GLU A 74 -10.721 -1.091 2.445 1.00 0.00 C ATOM 379 OE1 GLU A 74 -10.851 -2.200 1.954 1.00 0.00 O ATOM 380 OE2 GLU A 74 -11.232 -0.746 3.498 1.00 0.00 O ATOM 0 H GLU A 74 -6.617 -1.617 0.854 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.160 0.701 0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.219 -1.462 1.880 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.074 -0.052 2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.087 0.937 2.047 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.094 -0.096 0.631 1.00 0.00 H new ATOM 387 N LYS A 75 -5.625 1.233 2.019 1.00 0.00 N ATOM 388 CA LYS A 75 -4.816 2.334 2.623 1.00 0.00 C ATOM 389 C LYS A 75 -4.362 3.306 1.532 1.00 0.00 C ATOM 390 O LYS A 75 -4.279 4.500 1.751 1.00 0.00 O ATOM 391 CB LYS A 75 -3.610 1.645 3.266 1.00 0.00 C ATOM 392 CG LYS A 75 -2.991 2.572 4.313 1.00 0.00 C ATOM 393 CD LYS A 75 -2.179 1.746 5.313 1.00 0.00 C ATOM 394 CE LYS A 75 -1.166 2.649 6.020 1.00 0.00 C ATOM 395 NZ LYS A 75 0.048 2.610 5.159 1.00 0.00 N ATOM 0 H LYS A 75 -5.213 0.303 2.095 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.384 2.911 3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.918 0.708 3.731 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.872 1.395 2.504 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.350 3.308 3.828 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.774 3.124 4.833 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.843 1.285 6.044 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.662 0.937 4.797 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.546 3.666 6.121 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.949 2.288 7.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.710 3.353 5.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.507 1.681 5.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.224 2.768 4.168 1.00 0.00 H new ATOM 409 N LEU A 76 -4.071 2.801 0.359 1.00 0.00 N ATOM 410 CA LEU A 76 -3.626 3.695 -0.753 1.00 0.00 C ATOM 411 C LEU A 76 -4.772 4.620 -1.165 1.00 0.00 C ATOM 412 O LEU A 76 -4.559 5.758 -1.540 1.00 0.00 O ATOM 413 CB LEU A 76 -3.248 2.760 -1.903 1.00 0.00 C ATOM 414 CG LEU A 76 -2.666 3.579 -3.057 1.00 0.00 C ATOM 415 CD1 LEU A 76 -1.217 3.952 -2.740 1.00 0.00 C ATOM 416 CD2 LEU A 76 -2.708 2.748 -4.342 1.00 0.00 C ATOM 0 H LEU A 76 -4.122 1.810 0.124 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.788 4.328 -0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.520 2.023 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.125 2.209 -2.241 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.254 4.487 -3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.803 4.535 -3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.185 4.543 -1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.628 3.044 -2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.294 3.330 -5.165 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.120 1.840 -4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.740 2.482 -4.569 1.00 0.00 H new ATOM 428 N LEU A 77 -5.984 4.138 -1.086 1.00 0.00 N ATOM 429 CA LEU A 77 -7.156 4.985 -1.461 1.00 0.00 C ATOM 430 C LEU A 77 -7.392 6.039 -0.380 1.00 0.00 C ATOM 431 O LEU A 77 -7.732 7.172 -0.666 1.00 0.00 O ATOM 432 CB LEU A 77 -8.343 4.022 -1.544 1.00 0.00 C ATOM 433 CG LEU A 77 -8.565 3.606 -3.000 1.00 0.00 C ATOM 434 CD1 LEU A 77 -9.230 2.229 -3.043 1.00 0.00 C ATOM 435 CD2 LEU A 77 -9.470 4.630 -3.689 1.00 0.00 C ATOM 0 H LEU A 77 -6.214 3.193 -0.778 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.005 5.512 -2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.154 3.142 -0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.240 4.500 -1.151 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.605 3.562 -3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.388 1.933 -4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.587 1.499 -2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -10.190 2.272 -2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.629 4.335 -4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.429 4.673 -3.173 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.997 5.612 -3.659 1.00 0.00 H new ATOM 447 N ALA A 78 -7.205 5.670 0.861 1.00 0.00 N ATOM 448 CA ALA A 78 -7.404 6.645 1.975 1.00 0.00 C ATOM 449 C ALA A 78 -6.347 7.750 1.895 1.00 0.00 C ATOM 450 O ALA A 78 -6.577 8.869 2.315 1.00 0.00 O ATOM 451 CB ALA A 78 -7.235 5.833 3.261 1.00 0.00 C ATOM 0 H ALA A 78 -6.923 4.734 1.151 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.380 7.128 1.931 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.368 6.486 4.124 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.980 5.038 3.290 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.237 5.396 3.287 1.00 0.00 H new ATOM 457 N LEU A 79 -5.194 7.442 1.355 1.00 0.00 N ATOM 458 CA LEU A 79 -4.118 8.473 1.240 1.00 0.00 C ATOM 459 C LEU A 79 -4.522 9.535 0.214 1.00 0.00 C ATOM 460 O LEU A 79 -4.356 10.720 0.439 1.00 0.00 O ATOM 461 CB LEU A 79 -2.866 7.710 0.771 1.00 0.00 C ATOM 462 CG LEU A 79 -1.688 7.971 1.724 1.00 0.00 C ATOM 463 CD1 LEU A 79 -1.347 9.465 1.741 1.00 0.00 C ATOM 464 CD2 LEU A 79 -2.053 7.511 3.140 1.00 0.00 C ATOM 0 H LEU A 79 -4.952 6.521 0.989 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.939 8.989 2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.078 6.642 0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.600 8.021 -0.239 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.821 7.411 1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.511 9.640 2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.073 9.787 0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.214 10.032 2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.215 7.698 3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.926 8.063 3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.278 6.445 3.129 1.00 0.00 H new ATOM 476 N GLN A 80 -5.058 9.117 -0.906 1.00 0.00 N ATOM 477 CA GLN A 80 -5.482 10.102 -1.948 1.00 0.00 C ATOM 478 C GLN A 80 -6.644 10.943 -1.420 1.00 0.00 C ATOM 479 O GLN A 80 -6.777 12.108 -1.743 1.00 0.00 O ATOM 480 CB GLN A 80 -5.926 9.260 -3.146 1.00 0.00 C ATOM 481 CG GLN A 80 -5.767 10.075 -4.431 1.00 0.00 C ATOM 482 CD GLN A 80 -4.346 9.902 -4.972 1.00 0.00 C ATOM 483 OE1 GLN A 80 -3.596 10.855 -5.058 1.00 0.00 O ATOM 484 NE2 GLN A 80 -3.943 8.719 -5.344 1.00 0.00 N ATOM 0 H GLN A 80 -5.220 8.138 -1.143 1.00 0.00 H new ATOM 0 HA GLN A 80 -4.681 10.790 -2.219 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.330 8.349 -3.205 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.965 8.954 -3.023 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.493 9.747 -5.175 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -5.967 11.128 -4.233 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -4.572 7.920 -5.272 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -2.998 8.593 -5.707 1.00 0.00 H new ATOM 493 N GLU A 81 -7.477 10.357 -0.600 1.00 0.00 N ATOM 494 CA GLU A 81 -8.631 11.116 -0.031 1.00 0.00 C ATOM 495 C GLU A 81 -8.117 12.226 0.889 1.00 0.00 C ATOM 496 O GLU A 81 -8.750 13.252 1.051 1.00 0.00 O ATOM 497 CB GLU A 81 -9.440 10.089 0.765 1.00 0.00 C ATOM 498 CG GLU A 81 -10.722 10.741 1.287 1.00 0.00 C ATOM 499 CD GLU A 81 -11.845 10.555 0.265 1.00 0.00 C ATOM 500 OE1 GLU A 81 -11.968 11.396 -0.609 1.00 0.00 O ATOM 501 OE2 GLU A 81 -12.561 9.573 0.375 1.00 0.00 O ATOM 0 H GLU A 81 -7.408 9.385 -0.299 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.236 11.590 -0.804 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.685 9.235 0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.847 9.710 1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.007 10.295 2.240 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.554 11.803 1.469 1.00 0.00 H new ATOM 508 N GLU A 82 -6.970 12.024 1.488 1.00 0.00 N ATOM 509 CA GLU A 82 -6.403 13.067 2.399 1.00 0.00 C ATOM 510 C GLU A 82 -6.101 14.340 1.603 1.00 0.00 C ATOM 511 O GLU A 82 -6.407 15.435 2.033 1.00 0.00 O ATOM 512 CB GLU A 82 -5.110 12.459 2.964 1.00 0.00 C ATOM 513 CG GLU A 82 -5.115 12.561 4.492 1.00 0.00 C ATOM 514 CD GLU A 82 -3.684 12.757 4.996 1.00 0.00 C ATOM 515 OE1 GLU A 82 -2.805 12.064 4.507 1.00 0.00 O ATOM 516 OE2 GLU A 82 -3.489 13.595 5.861 1.00 0.00 O ATOM 0 H GLU A 82 -6.402 11.183 1.386 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.094 13.341 3.196 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.024 11.416 2.660 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.244 12.981 2.558 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.741 13.395 4.809 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.544 11.658 4.926 1.00 0.00 H new ATOM 523 N LYS A 83 -5.507 14.199 0.443 1.00 0.00 N ATOM 524 CA LYS A 83 -5.190 15.402 -0.388 1.00 0.00 C ATOM 525 C LYS A 83 -6.487 16.068 -0.849 1.00 0.00 C ATOM 526 O LYS A 83 -6.544 17.268 -1.043 1.00 0.00 O ATOM 527 CB LYS A 83 -4.399 14.873 -1.587 1.00 0.00 C ATOM 528 CG LYS A 83 -3.978 16.041 -2.480 1.00 0.00 C ATOM 529 CD LYS A 83 -2.621 15.736 -3.117 1.00 0.00 C ATOM 530 CE LYS A 83 -1.964 17.042 -3.569 1.00 0.00 C ATOM 531 NZ LYS A 83 -2.499 17.288 -4.937 1.00 0.00 N ATOM 0 H LYS A 83 -5.229 13.306 0.037 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.622 16.149 0.166 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.519 14.329 -1.244 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.007 14.169 -2.155 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.726 16.207 -3.255 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.918 16.958 -1.893 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.979 15.222 -2.402 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.749 15.067 -3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.211 17.862 -2.895 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.878 16.954 -3.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.094 18.168 -5.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.243 16.494 -5.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.535 17.374 -4.895 1.00 0.00 H new ATOM 545 N HIS A 84 -7.529 15.296 -1.021 1.00 0.00 N ATOM 546 CA HIS A 84 -8.833 15.876 -1.465 1.00 0.00 C ATOM 547 C HIS A 84 -9.414 16.758 -0.359 1.00 0.00 C ATOM 548 O HIS A 84 -10.048 17.762 -0.622 1.00 0.00 O ATOM 549 CB HIS A 84 -9.744 14.675 -1.729 1.00 0.00 C ATOM 550 CG HIS A 84 -11.054 15.153 -2.292 1.00 0.00 C ATOM 551 ND1 HIS A 84 -11.445 14.879 -3.594 1.00 0.00 N ATOM 552 CD2 HIS A 84 -12.075 15.889 -1.741 1.00 0.00 C ATOM 553 CE1 HIS A 84 -12.653 15.442 -3.781 1.00 0.00 C ATOM 554 NE2 HIS A 84 -13.082 16.069 -2.684 1.00 0.00 N ATOM 0 H HIS A 84 -7.533 14.287 -0.873 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.725 16.500 -2.352 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -9.265 13.988 -2.427 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.913 14.123 -0.804 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -12.093 16.270 -0.730 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -13.208 15.392 -4.706 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -13.961 16.573 -2.563 1.00 0.00 H new ATOM 562 N GLN A 85 -9.194 16.389 0.877 1.00 0.00 N ATOM 563 CA GLN A 85 -9.723 17.206 2.011 1.00 0.00 C ATOM 564 C GLN A 85 -8.978 18.540 2.077 1.00 0.00 C ATOM 565 O GLN A 85 -9.579 19.590 2.201 1.00 0.00 O ATOM 566 CB GLN A 85 -9.455 16.376 3.269 1.00 0.00 C ATOM 567 CG GLN A 85 -10.075 17.072 4.483 1.00 0.00 C ATOM 568 CD GLN A 85 -11.481 16.521 4.725 1.00 0.00 C ATOM 569 OE1 GLN A 85 -11.639 15.396 5.157 1.00 0.00 O ATOM 570 NE2 GLN A 85 -12.517 17.270 4.463 1.00 0.00 N ATOM 0 H GLN A 85 -8.671 15.557 1.150 1.00 0.00 H new ATOM 0 HA GLN A 85 -10.784 17.432 1.900 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.876 15.377 3.155 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.382 16.254 3.415 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.454 16.912 5.364 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.119 18.148 4.315 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.385 18.214 4.100 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -13.459 16.911 4.621 1.00 0.00 H new ATOM 579 N LEU A 86 -7.672 18.502 1.987 1.00 0.00 N ATOM 580 CA LEU A 86 -6.877 19.767 2.033 1.00 0.00 C ATOM 581 C LEU A 86 -7.254 20.661 0.848 1.00 0.00 C ATOM 582 O LEU A 86 -7.187 21.873 0.928 1.00 0.00 O ATOM 583 CB LEU A 86 -5.412 19.327 1.934 1.00 0.00 C ATOM 584 CG LEU A 86 -4.572 20.091 2.960 1.00 0.00 C ATOM 585 CD1 LEU A 86 -3.485 19.171 3.519 1.00 0.00 C ATOM 586 CD2 LEU A 86 -3.919 21.301 2.287 1.00 0.00 C ATOM 0 H LEU A 86 -7.122 17.649 1.884 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.063 20.341 2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.332 18.254 2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.034 19.514 0.929 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.214 20.430 3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.887 19.716 4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.949 18.310 4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.843 18.831 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.321 21.845 3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.278 20.963 1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.693 21.958 1.890 1.00 0.00 H new ATOM 598 N PHE A 87 -7.653 20.066 -0.249 1.00 0.00 N ATOM 599 CA PHE A 87 -8.041 20.872 -1.447 1.00 0.00 C ATOM 600 C PHE A 87 -9.302 21.682 -1.141 1.00 0.00 C ATOM 601 O PHE A 87 -9.471 22.789 -1.617 1.00 0.00 O ATOM 602 CB PHE A 87 -8.310 19.847 -2.555 1.00 0.00 C ATOM 603 CG PHE A 87 -7.671 20.308 -3.844 1.00 0.00 C ATOM 604 CD1 PHE A 87 -8.217 21.387 -4.549 1.00 0.00 C ATOM 605 CD2 PHE A 87 -6.534 19.655 -4.333 1.00 0.00 C ATOM 606 CE1 PHE A 87 -7.625 21.813 -5.745 1.00 0.00 C ATOM 607 CE2 PHE A 87 -5.942 20.080 -5.529 1.00 0.00 C ATOM 608 CZ PHE A 87 -6.487 21.160 -6.234 1.00 0.00 C ATOM 0 H PHE A 87 -7.727 19.055 -0.366 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.267 21.581 -1.739 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -7.911 18.874 -2.268 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -9.384 19.722 -2.695 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -9.094 21.891 -4.171 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.113 18.823 -3.788 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.046 22.645 -6.290 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.066 19.575 -5.907 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.030 21.489 -7.155 1.00 0.00 H new ATOM 618 N LEU A 88 -10.185 21.136 -0.345 1.00 0.00 N ATOM 619 CA LEU A 88 -11.440 21.869 0.005 1.00 0.00 C ATOM 620 C LEU A 88 -11.099 23.141 0.783 1.00 0.00 C ATOM 621 O LEU A 88 -11.799 24.134 0.706 1.00 0.00 O ATOM 622 CB LEU A 88 -12.242 20.903 0.881 1.00 0.00 C ATOM 623 CG LEU A 88 -13.735 21.070 0.592 1.00 0.00 C ATOM 624 CD1 LEU A 88 -14.165 20.063 -0.477 1.00 0.00 C ATOM 625 CD2 LEU A 88 -14.533 20.822 1.874 1.00 0.00 C ATOM 0 H LEU A 88 -10.091 20.213 0.079 1.00 0.00 H new ATOM 0 HA LEU A 88 -12.002 22.171 -0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -11.935 19.876 0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -12.041 21.098 1.934 1.00 0.00 H new ATOM 0 HG LEU A 88 -13.924 22.082 0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -15.229 20.182 -0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -13.597 20.238 -1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -13.976 19.051 -0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.597 20.941 1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.343 19.810 2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.228 21.539 2.637 1.00 0.00 H new ATOM 637 N GLN A 89 -10.024 23.115 1.526 1.00 0.00 N ATOM 638 CA GLN A 89 -9.617 24.316 2.314 1.00 0.00 C ATOM 639 C GLN A 89 -8.786 25.275 1.450 1.00 0.00 C ATOM 640 O GLN A 89 -8.624 26.433 1.782 1.00 0.00 O ATOM 641 CB GLN A 89 -8.770 23.765 3.462 1.00 0.00 C ATOM 642 CG GLN A 89 -9.675 23.055 4.472 1.00 0.00 C ATOM 643 CD GLN A 89 -8.935 21.854 5.064 1.00 0.00 C ATOM 644 OE1 GLN A 89 -9.509 20.797 5.234 1.00 0.00 O ATOM 645 NE2 GLN A 89 -7.677 21.974 5.389 1.00 0.00 N ATOM 0 H GLN A 89 -9.407 22.309 1.621 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.478 24.881 2.670 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.024 23.071 3.076 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.229 24.576 3.950 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.964 23.745 5.265 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -10.593 22.726 3.985 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.196 22.862 5.246 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.175 21.180 5.786 1.00 0.00 H new ATOM 654 N LEU A 90 -8.254 24.803 0.343 1.00 0.00 N ATOM 655 CA LEU A 90 -7.428 25.688 -0.543 1.00 0.00 C ATOM 656 C LEU A 90 -8.198 26.966 -0.905 1.00 0.00 C ATOM 657 O LEU A 90 -7.613 28.032 -0.810 1.00 0.00 O ATOM 658 CB LEU A 90 -7.160 24.858 -1.801 1.00 0.00 C ATOM 659 CG LEU A 90 -6.250 25.640 -2.751 1.00 0.00 C ATOM 660 CD1 LEU A 90 -4.873 25.824 -2.108 1.00 0.00 C ATOM 661 CD2 LEU A 90 -6.102 24.870 -4.065 1.00 0.00 C ATOM 662 OXT LEU A 90 -9.356 26.853 -1.270 1.00 0.00 O ATOM 0 H LEU A 90 -8.357 23.842 0.016 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.507 26.003 -0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.692 23.911 -1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.100 24.619 -2.298 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.689 26.618 -2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.226 26.381 -2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.979 26.374 -1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.432 24.848 -1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.454 25.427 -4.742 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.664 23.892 -3.866 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.082 24.742 -4.524 1.00 0.00 H new ATOM 675 N GLY B 166 -8.179 30.439 2.917 1.00 0.00 N ATOM 676 CA GLY B 166 -6.852 29.777 3.064 1.00 0.00 C ATOM 677 C GLY B 166 -5.943 30.640 3.939 1.00 0.00 C ATOM 678 O GLY B 166 -6.404 31.379 4.788 1.00 0.00 O ATOM 0 HA2 GLY B 166 -6.974 28.790 3.511 1.00 0.00 H new ATOM 0 HA3 GLY B 166 -6.397 29.629 2.084 1.00 0.00 H new ATOM 684 N LEU B 167 -4.653 30.551 3.736 1.00 0.00 N ATOM 685 CA LEU B 167 -3.699 31.368 4.555 1.00 0.00 C ATOM 686 C LEU B 167 -3.109 32.475 3.682 1.00 0.00 C ATOM 687 O LEU B 167 -3.285 33.650 3.940 1.00 0.00 O ATOM 688 CB LEU B 167 -2.570 30.419 5.017 1.00 0.00 C ATOM 689 CG LEU B 167 -3.105 29.009 5.321 1.00 0.00 C ATOM 690 CD1 LEU B 167 -2.931 28.125 4.079 1.00 0.00 C ATOM 691 CD2 LEU B 167 -2.326 28.408 6.493 1.00 0.00 C ATOM 0 H LEU B 167 -4.216 29.948 3.039 1.00 0.00 H new ATOM 0 HA LEU B 167 -4.201 31.822 5.410 1.00 0.00 H new ATOM 0 HB2 LEU B 167 -1.805 30.359 4.243 1.00 0.00 H new ATOM 0 HB3 LEU B 167 -2.092 30.827 5.907 1.00 0.00 H new ATOM 0 HG LEU B 167 -4.161 29.066 5.584 1.00 0.00 H new ATOM 0 HD11 LEU B 167 -3.309 27.124 4.289 1.00 0.00 H new ATOM 0 HD12 LEU B 167 -3.486 28.555 3.246 1.00 0.00 H new ATOM 0 HD13 LEU B 167 -1.874 28.067 3.819 1.00 0.00 H new ATOM 0 HD21 LEU B 167 -2.705 27.409 6.708 1.00 0.00 H new ATOM 0 HD22 LEU B 167 -1.269 28.347 6.234 1.00 0.00 H new ATOM 0 HD23 LEU B 167 -2.448 29.040 7.373 1.00 0.00 H new ATOM 703 N SER B 168 -2.412 32.092 2.645 1.00 0.00 N ATOM 704 CA SER B 168 -1.800 33.093 1.726 1.00 0.00 C ATOM 705 C SER B 168 -1.618 32.467 0.344 1.00 0.00 C ATOM 706 O SER B 168 -0.637 32.705 -0.334 1.00 0.00 O ATOM 707 CB SER B 168 -0.446 33.430 2.349 1.00 0.00 C ATOM 708 OG SER B 168 0.355 32.256 2.395 1.00 0.00 O ATOM 0 H SER B 168 -2.240 31.118 2.394 1.00 0.00 H new ATOM 0 HA SER B 168 -2.415 33.984 1.602 1.00 0.00 H new ATOM 0 HB2 SER B 168 0.054 34.203 1.765 1.00 0.00 H new ATOM 0 HB3 SER B 168 -0.584 33.829 3.354 1.00 0.00 H new ATOM 0 HG SER B 168 1.225 32.469 2.793 1.00 0.00 H new ATOM 714 N LYS B 169 -2.558 31.650 -0.071 1.00 0.00 N ATOM 715 CA LYS B 169 -2.459 30.975 -1.406 1.00 0.00 C ATOM 716 C LYS B 169 -1.107 30.265 -1.546 1.00 0.00 C ATOM 717 O LYS B 169 -0.609 30.067 -2.638 1.00 0.00 O ATOM 718 CB LYS B 169 -2.594 32.091 -2.445 1.00 0.00 C ATOM 719 CG LYS B 169 -2.934 31.482 -3.808 1.00 0.00 C ATOM 720 CD LYS B 169 -4.379 30.975 -3.799 1.00 0.00 C ATOM 721 CE LYS B 169 -4.758 30.487 -5.198 1.00 0.00 C ATOM 722 NZ LYS B 169 -6.247 30.435 -5.196 1.00 0.00 N ATOM 0 H LYS B 169 -3.396 31.420 0.462 1.00 0.00 H new ATOM 0 HA LYS B 169 -3.230 30.215 -1.534 1.00 0.00 H new ATOM 0 HB2 LYS B 169 -3.373 32.791 -2.143 1.00 0.00 H new ATOM 0 HB3 LYS B 169 -1.665 32.657 -2.509 1.00 0.00 H new ATOM 0 HG2 LYS B 169 -2.804 32.227 -4.593 1.00 0.00 H new ATOM 0 HG3 LYS B 169 -2.252 30.662 -4.031 1.00 0.00 H new ATOM 0 HD2 LYS B 169 -4.487 30.164 -3.078 1.00 0.00 H new ATOM 0 HD3 LYS B 169 -5.053 31.772 -3.485 1.00 0.00 H new ATOM 0 HE2 LYS B 169 -4.387 31.165 -5.967 1.00 0.00 H new ATOM 0 HE3 LYS B 169 -4.329 29.506 -5.404 1.00 0.00 H new ATOM 0 HZ1 LYS B 169 -6.584 30.108 -6.124 1.00 0.00 H new ATOM 0 HZ2 LYS B 169 -6.570 29.777 -4.459 1.00 0.00 H new ATOM 0 HZ3 LYS B 169 -6.627 31.384 -5.004 1.00 0.00 H new ATOM 736 N GLU B 170 -0.516 29.881 -0.442 1.00 0.00 N ATOM 737 CA GLU B 170 0.799 29.184 -0.499 1.00 0.00 C ATOM 738 C GLU B 170 0.970 28.275 0.717 1.00 0.00 C ATOM 739 O GLU B 170 1.408 27.145 0.594 1.00 0.00 O ATOM 740 CB GLU B 170 1.844 30.300 -0.490 1.00 0.00 C ATOM 741 CG GLU B 170 2.215 30.663 -1.930 1.00 0.00 C ATOM 742 CD GLU B 170 3.542 31.424 -1.939 1.00 0.00 C ATOM 743 OE1 GLU B 170 4.574 30.776 -1.994 1.00 0.00 O ATOM 744 OE2 GLU B 170 3.503 32.642 -1.890 1.00 0.00 O ATOM 0 H GLU B 170 -0.891 30.022 0.496 1.00 0.00 H new ATOM 0 HA GLU B 170 0.891 28.551 -1.381 1.00 0.00 H new ATOM 0 HB2 GLU B 170 1.452 31.176 0.028 1.00 0.00 H new ATOM 0 HB3 GLU B 170 2.731 29.978 0.055 1.00 0.00 H new ATOM 0 HG2 GLU B 170 2.298 29.760 -2.534 1.00 0.00 H new ATOM 0 HG3 GLU B 170 1.430 31.274 -2.376 1.00 0.00 H new ATOM 751 N GLU B 171 0.625 28.752 1.887 1.00 0.00 N ATOM 752 CA GLU B 171 0.768 27.900 3.107 1.00 0.00 C ATOM 753 C GLU B 171 -0.121 26.658 2.976 1.00 0.00 C ATOM 754 O GLU B 171 0.186 25.605 3.502 1.00 0.00 O ATOM 755 CB GLU B 171 0.318 28.778 4.284 1.00 0.00 C ATOM 756 CG GLU B 171 1.454 28.901 5.303 1.00 0.00 C ATOM 757 CD GLU B 171 1.372 30.263 5.996 1.00 0.00 C ATOM 758 OE1 GLU B 171 0.425 30.475 6.735 1.00 0.00 O ATOM 759 OE2 GLU B 171 2.259 31.072 5.775 1.00 0.00 O ATOM 0 H GLU B 171 0.253 29.688 2.050 1.00 0.00 H new ATOM 0 HA GLU B 171 1.790 27.550 3.250 1.00 0.00 H new ATOM 0 HB2 GLU B 171 0.032 29.766 3.924 1.00 0.00 H new ATOM 0 HB3 GLU B 171 -0.562 28.344 4.758 1.00 0.00 H new ATOM 0 HG2 GLU B 171 1.384 28.101 6.040 1.00 0.00 H new ATOM 0 HG3 GLU B 171 2.417 28.792 4.805 1.00 0.00 H new ATOM 766 N LEU B 172 -1.210 26.775 2.260 1.00 0.00 N ATOM 767 CA LEU B 172 -2.117 25.606 2.065 1.00 0.00 C ATOM 768 C LEU B 172 -1.613 24.770 0.886 1.00 0.00 C ATOM 769 O LEU B 172 -1.800 23.569 0.838 1.00 0.00 O ATOM 770 CB LEU B 172 -3.496 26.209 1.758 1.00 0.00 C ATOM 771 CG LEU B 172 -4.505 25.757 2.817 1.00 0.00 C ATOM 772 CD1 LEU B 172 -5.773 26.605 2.709 1.00 0.00 C ATOM 773 CD2 LEU B 172 -4.858 24.285 2.588 1.00 0.00 C ATOM 0 H LEU B 172 -1.511 27.635 1.800 1.00 0.00 H new ATOM 0 HA LEU B 172 -2.158 24.952 2.936 1.00 0.00 H new ATOM 0 HB2 LEU B 172 -3.433 27.297 1.743 1.00 0.00 H new ATOM 0 HB3 LEU B 172 -3.828 25.896 0.768 1.00 0.00 H new ATOM 0 HG LEU B 172 -4.069 25.879 3.809 1.00 0.00 H new ATOM 0 HD11 LEU B 172 -6.491 26.283 3.463 1.00 0.00 H new ATOM 0 HD12 LEU B 172 -5.524 27.654 2.869 1.00 0.00 H new ATOM 0 HD13 LEU B 172 -6.209 26.483 1.717 1.00 0.00 H new ATOM 0 HD21 LEU B 172 -5.576 23.962 3.341 1.00 0.00 H new ATOM 0 HD22 LEU B 172 -5.294 24.165 1.596 1.00 0.00 H new ATOM 0 HD23 LEU B 172 -3.956 23.678 2.663 1.00 0.00 H new ATOM 785 N ILE B 173 -0.964 25.404 -0.058 1.00 0.00 N ATOM 786 CA ILE B 173 -0.425 24.664 -1.235 1.00 0.00 C ATOM 787 C ILE B 173 0.868 23.955 -0.818 1.00 0.00 C ATOM 788 O ILE B 173 1.184 22.887 -1.307 1.00 0.00 O ATOM 789 CB ILE B 173 -0.179 25.743 -2.309 1.00 0.00 C ATOM 790 CG1 ILE B 173 -1.525 26.212 -2.873 1.00 0.00 C ATOM 791 CG2 ILE B 173 0.665 25.180 -3.461 1.00 0.00 C ATOM 792 CD1 ILE B 173 -2.200 27.162 -1.884 1.00 0.00 C ATOM 0 H ILE B 173 -0.784 26.408 -0.062 1.00 0.00 H new ATOM 0 HA ILE B 173 -1.097 23.896 -1.617 1.00 0.00 H new ATOM 0 HB ILE B 173 0.354 26.574 -1.848 1.00 0.00 H new ATOM 0 HG12 ILE B 173 -1.374 26.715 -3.828 1.00 0.00 H new ATOM 0 HG13 ILE B 173 -2.169 25.353 -3.063 1.00 0.00 H new ATOM 0 HG21 ILE B 173 0.827 25.958 -4.207 1.00 0.00 H new ATOM 0 HG22 ILE B 173 1.627 24.841 -3.076 1.00 0.00 H new ATOM 0 HG23 ILE B 173 0.142 24.341 -3.919 1.00 0.00 H new ATOM 0 HD11 ILE B 173 -3.156 27.492 -2.291 1.00 0.00 H new ATOM 0 HD12 ILE B 173 -2.367 26.645 -0.939 1.00 0.00 H new ATOM 0 HD13 ILE B 173 -1.559 28.028 -1.716 1.00 0.00 H new ATOM 804 N GLN B 174 1.602 24.536 0.100 1.00 0.00 N ATOM 805 CA GLN B 174 2.860 23.885 0.569 1.00 0.00 C ATOM 806 C GLN B 174 2.500 22.612 1.330 1.00 0.00 C ATOM 807 O GLN B 174 3.204 21.622 1.277 1.00 0.00 O ATOM 808 CB GLN B 174 3.529 24.902 1.495 1.00 0.00 C ATOM 809 CG GLN B 174 4.883 24.360 1.959 1.00 0.00 C ATOM 810 CD GLN B 174 5.552 25.380 2.881 1.00 0.00 C ATOM 811 OE1 GLN B 174 4.884 26.133 3.561 1.00 0.00 O ATOM 812 NE2 GLN B 174 6.855 25.436 2.935 1.00 0.00 N ATOM 0 H GLN B 174 1.384 25.429 0.542 1.00 0.00 H new ATOM 0 HA GLN B 174 3.525 23.608 -0.249 1.00 0.00 H new ATOM 0 HB2 GLN B 174 3.664 25.850 0.974 1.00 0.00 H new ATOM 0 HB3 GLN B 174 2.891 25.100 2.356 1.00 0.00 H new ATOM 0 HG2 GLN B 174 4.748 23.414 2.483 1.00 0.00 H new ATOM 0 HG3 GLN B 174 5.521 24.159 1.098 1.00 0.00 H new ATOM 0 HE21 GLN B 174 7.417 24.804 2.364 1.00 0.00 H new ATOM 0 HE22 GLN B 174 7.311 26.112 3.548 1.00 0.00 H new ATOM 821 N ASN B 175 1.389 22.634 2.020 1.00 0.00 N ATOM 822 CA ASN B 175 0.947 21.427 2.773 1.00 0.00 C ATOM 823 C ASN B 175 0.309 20.438 1.799 1.00 0.00 C ATOM 824 O ASN B 175 0.402 19.236 1.967 1.00 0.00 O ATOM 825 CB ASN B 175 -0.086 21.935 3.782 1.00 0.00 C ATOM 826 CG ASN B 175 0.613 22.785 4.843 1.00 0.00 C ATOM 827 OD1 ASN B 175 1.765 22.561 5.157 1.00 0.00 O ATOM 828 ND2 ASN B 175 -0.041 23.759 5.416 1.00 0.00 N ATOM 0 H ASN B 175 0.768 23.440 2.093 1.00 0.00 H new ATOM 0 HA ASN B 175 1.769 20.916 3.273 1.00 0.00 H new ATOM 0 HB2 ASN B 175 -0.848 22.525 3.273 1.00 0.00 H new ATOM 0 HB3 ASN B 175 -0.595 21.094 4.252 1.00 0.00 H new ATOM 0 HD21 ASN B 175 0.415 24.331 6.127 1.00 0.00 H new ATOM 0 HD22 ASN B 175 -1.008 23.948 5.153 1.00 0.00 H new ATOM 835 N MET B 176 -0.329 20.943 0.772 1.00 0.00 N ATOM 836 CA MET B 176 -0.967 20.042 -0.235 1.00 0.00 C ATOM 837 C MET B 176 0.116 19.362 -1.076 1.00 0.00 C ATOM 838 O MET B 176 -0.056 18.252 -1.544 1.00 0.00 O ATOM 839 CB MET B 176 -1.836 20.956 -1.111 1.00 0.00 C ATOM 840 CG MET B 176 -3.321 20.746 -0.776 1.00 0.00 C ATOM 841 SD MET B 176 -4.292 20.635 -2.303 1.00 0.00 S ATOM 842 CE MET B 176 -4.929 22.327 -2.288 1.00 0.00 C ATOM 0 H MET B 176 -0.435 21.941 0.588 1.00 0.00 H new ATOM 0 HA MET B 176 -1.560 19.255 0.231 1.00 0.00 H new ATOM 0 HB2 MET B 176 -1.562 21.998 -0.948 1.00 0.00 H new ATOM 0 HB3 MET B 176 -1.658 20.741 -2.165 1.00 0.00 H new ATOM 0 HG2 MET B 176 -3.445 19.835 -0.190 1.00 0.00 H new ATOM 0 HG3 MET B 176 -3.684 21.571 -0.164 1.00 0.00 H new ATOM 0 HE1 MET B 176 -5.881 22.362 -2.817 1.00 0.00 H new ATOM 0 HE2 MET B 176 -5.074 22.652 -1.258 1.00 0.00 H new ATOM 0 HE3 MET B 176 -4.216 22.989 -2.780 1.00 0.00 H new ATOM 852 N ASP B 177 1.233 20.020 -1.264 1.00 0.00 N ATOM 853 CA ASP B 177 2.337 19.415 -2.069 1.00 0.00 C ATOM 854 C ASP B 177 3.046 18.337 -1.249 1.00 0.00 C ATOM 855 O ASP B 177 3.506 17.342 -1.778 1.00 0.00 O ATOM 856 CB ASP B 177 3.290 20.569 -2.381 1.00 0.00 C ATOM 857 CG ASP B 177 2.792 21.324 -3.615 1.00 0.00 C ATOM 858 OD1 ASP B 177 1.591 21.511 -3.725 1.00 0.00 O ATOM 859 OD2 ASP B 177 3.619 21.702 -4.428 1.00 0.00 O ATOM 0 H ASP B 177 1.427 20.951 -0.894 1.00 0.00 H new ATOM 0 HA ASP B 177 1.973 18.940 -2.980 1.00 0.00 H new ATOM 0 HB2 ASP B 177 3.351 21.245 -1.528 1.00 0.00 H new ATOM 0 HB3 ASP B 177 4.295 20.187 -2.557 1.00 0.00 H new ATOM 864 N ARG B 178 3.130 18.529 0.042 1.00 0.00 N ATOM 865 CA ARG B 178 3.801 17.517 0.912 1.00 0.00 C ATOM 866 C ARG B 178 2.927 16.266 1.025 1.00 0.00 C ATOM 867 O ARG B 178 3.419 15.168 1.200 1.00 0.00 O ATOM 868 CB ARG B 178 3.953 18.193 2.277 1.00 0.00 C ATOM 869 CG ARG B 178 4.782 17.299 3.204 1.00 0.00 C ATOM 870 CD ARG B 178 5.693 18.169 4.076 1.00 0.00 C ATOM 871 NE ARG B 178 4.770 18.999 4.903 1.00 0.00 N ATOM 872 CZ ARG B 178 5.248 19.749 5.857 1.00 0.00 C ATOM 873 NH1 ARG B 178 5.918 20.830 5.564 1.00 0.00 N ATOM 874 NH2 ARG B 178 5.057 19.418 7.105 1.00 0.00 N ATOM 0 H ARG B 178 2.762 19.344 0.532 1.00 0.00 H new ATOM 0 HA ARG B 178 4.764 17.202 0.511 1.00 0.00 H new ATOM 0 HB2 ARG B 178 4.437 19.163 2.162 1.00 0.00 H new ATOM 0 HB3 ARG B 178 2.972 18.377 2.714 1.00 0.00 H new ATOM 0 HG2 ARG B 178 4.123 16.700 3.833 1.00 0.00 H new ATOM 0 HG3 ARG B 178 5.381 16.603 2.616 1.00 0.00 H new ATOM 0 HD2 ARG B 178 6.340 17.556 4.704 1.00 0.00 H new ATOM 0 HD3 ARG B 178 6.343 18.794 3.464 1.00 0.00 H new ATOM 0 HE ARG B 178 3.766 18.980 4.723 1.00 0.00 H new ATOM 0 HH11 ARG B 178 6.068 21.088 4.589 1.00 0.00 H new ATOM 0 HH12 ARG B 178 6.292 21.416 6.310 1.00 0.00 H new ATOM 0 HH21 ARG B 178 4.534 18.573 7.334 1.00 0.00 H new ATOM 0 HH22 ARG B 178 5.431 20.004 7.851 1.00 0.00 H new ATOM 888 N VAL B 179 1.632 16.429 0.919 1.00 0.00 N ATOM 889 CA VAL B 179 0.714 15.253 1.012 1.00 0.00 C ATOM 890 C VAL B 179 0.883 14.370 -0.227 1.00 0.00 C ATOM 891 O VAL B 179 0.750 13.162 -0.160 1.00 0.00 O ATOM 892 CB VAL B 179 -0.701 15.844 1.071 1.00 0.00 C ATOM 893 CG1 VAL B 179 -1.729 14.713 1.164 1.00 0.00 C ATOM 894 CG2 VAL B 179 -0.829 16.746 2.304 1.00 0.00 C ATOM 0 H VAL B 179 1.171 17.327 0.772 1.00 0.00 H new ATOM 0 HA VAL B 179 0.920 14.631 1.883 1.00 0.00 H new ATOM 0 HB VAL B 179 -0.883 16.428 0.169 1.00 0.00 H new ATOM 0 HG11 VAL B 179 -2.733 15.136 1.206 1.00 0.00 H new ATOM 0 HG12 VAL B 179 -1.642 14.070 0.288 1.00 0.00 H new ATOM 0 HG13 VAL B 179 -1.545 14.127 2.064 1.00 0.00 H new ATOM 0 HG21 VAL B 179 -1.834 17.165 2.345 1.00 0.00 H new ATOM 0 HG22 VAL B 179 -0.643 16.160 3.204 1.00 0.00 H new ATOM 0 HG23 VAL B 179 -0.101 17.555 2.240 1.00 0.00 H new ATOM 904 N ASP B 180 1.177 14.967 -1.353 1.00 0.00 N ATOM 905 CA ASP B 180 1.362 14.169 -2.603 1.00 0.00 C ATOM 906 C ASP B 180 2.563 13.236 -2.449 1.00 0.00 C ATOM 907 O ASP B 180 2.551 12.112 -2.915 1.00 0.00 O ATOM 908 CB ASP B 180 1.618 15.196 -3.709 1.00 0.00 C ATOM 909 CG ASP B 180 1.590 14.499 -5.069 1.00 0.00 C ATOM 910 OD1 ASP B 180 2.414 13.625 -5.283 1.00 0.00 O ATOM 911 OD2 ASP B 180 0.745 14.851 -5.876 1.00 0.00 O ATOM 0 H ASP B 180 1.297 15.974 -1.461 1.00 0.00 H new ATOM 0 HA ASP B 180 0.495 13.547 -2.827 1.00 0.00 H new ATOM 0 HB2 ASP B 180 0.861 15.980 -3.674 1.00 0.00 H new ATOM 0 HB3 ASP B 180 2.583 15.678 -3.556 1.00 0.00 H new ATOM 916 N ARG B 181 3.593 13.696 -1.790 1.00 0.00 N ATOM 917 CA ARG B 181 4.803 12.841 -1.589 1.00 0.00 C ATOM 918 C ARG B 181 4.477 11.705 -0.616 1.00 0.00 C ATOM 919 O ARG B 181 5.047 10.633 -0.689 1.00 0.00 O ATOM 920 CB ARG B 181 5.862 13.771 -0.995 1.00 0.00 C ATOM 921 CG ARG B 181 6.785 14.274 -2.106 1.00 0.00 C ATOM 922 CD ARG B 181 7.225 15.707 -1.798 1.00 0.00 C ATOM 923 NE ARG B 181 8.041 15.598 -0.557 1.00 0.00 N ATOM 924 CZ ARG B 181 7.653 16.199 0.534 1.00 0.00 C ATOM 925 NH1 ARG B 181 7.219 17.429 0.483 1.00 0.00 N ATOM 926 NH2 ARG B 181 7.699 15.571 1.677 1.00 0.00 N ATOM 0 H ARG B 181 3.650 14.629 -1.381 1.00 0.00 H new ATOM 0 HA ARG B 181 5.147 12.384 -2.517 1.00 0.00 H new ATOM 0 HB2 ARG B 181 5.382 14.614 -0.498 1.00 0.00 H new ATOM 0 HB3 ARG B 181 6.442 13.242 -0.238 1.00 0.00 H new ATOM 0 HG2 ARG B 181 7.657 13.625 -2.190 1.00 0.00 H new ATOM 0 HG3 ARG B 181 6.269 14.240 -3.065 1.00 0.00 H new ATOM 0 HD2 ARG B 181 7.807 16.127 -2.618 1.00 0.00 H new ATOM 0 HD3 ARG B 181 6.366 16.361 -1.650 1.00 0.00 H new ATOM 0 HE ARG B 181 8.903 15.053 -0.560 1.00 0.00 H new ATOM 0 HH11 ARG B 181 7.183 17.921 -0.410 1.00 0.00 H new ATOM 0 HH12 ARG B 181 6.916 17.899 1.336 1.00 0.00 H new ATOM 0 HH21 ARG B 181 8.038 14.610 1.718 1.00 0.00 H new ATOM 0 HH22 ARG B 181 7.396 16.041 2.530 1.00 0.00 H new ATOM 940 N GLU B 182 3.560 11.936 0.290 1.00 0.00 N ATOM 941 CA GLU B 182 3.185 10.871 1.271 1.00 0.00 C ATOM 942 C GLU B 182 2.433 9.747 0.556 1.00 0.00 C ATOM 943 O GLU B 182 2.531 8.592 0.926 1.00 0.00 O ATOM 944 CB GLU B 182 2.278 11.563 2.291 1.00 0.00 C ATOM 945 CG GLU B 182 2.372 10.836 3.634 1.00 0.00 C ATOM 946 CD GLU B 182 2.087 11.822 4.769 1.00 0.00 C ATOM 947 OE1 GLU B 182 1.045 12.455 4.729 1.00 0.00 O ATOM 948 OE2 GLU B 182 2.916 11.927 5.657 1.00 0.00 O ATOM 0 H GLU B 182 3.055 12.816 0.393 1.00 0.00 H new ATOM 0 HA GLU B 182 4.056 10.422 1.748 1.00 0.00 H new ATOM 0 HB2 GLU B 182 2.574 12.605 2.408 1.00 0.00 H new ATOM 0 HB3 GLU B 182 1.247 11.562 1.936 1.00 0.00 H new ATOM 0 HG2 GLU B 182 1.658 10.013 3.665 1.00 0.00 H new ATOM 0 HG3 GLU B 182 3.364 10.402 3.756 1.00 0.00 H new ATOM 955 N ILE B 183 1.687 10.080 -0.465 1.00 0.00 N ATOM 956 CA ILE B 183 0.928 9.034 -1.216 1.00 0.00 C ATOM 957 C ILE B 183 1.899 8.193 -2.049 1.00 0.00 C ATOM 958 O ILE B 183 1.699 7.009 -2.244 1.00 0.00 O ATOM 959 CB ILE B 183 -0.042 9.804 -2.122 1.00 0.00 C ATOM 960 CG1 ILE B 183 -0.976 10.660 -1.260 1.00 0.00 C ATOM 961 CG2 ILE B 183 -0.878 8.817 -2.941 1.00 0.00 C ATOM 962 CD1 ILE B 183 -1.829 11.553 -2.162 1.00 0.00 C ATOM 0 H ILE B 183 1.570 11.032 -0.812 1.00 0.00 H new ATOM 0 HA ILE B 183 0.394 8.351 -0.555 1.00 0.00 H new ATOM 0 HB ILE B 183 0.528 10.444 -2.795 1.00 0.00 H new ATOM 0 HG12 ILE B 183 -1.617 10.020 -0.654 1.00 0.00 H new ATOM 0 HG13 ILE B 183 -0.393 11.272 -0.571 1.00 0.00 H new ATOM 0 HG21 ILE B 183 -1.566 9.368 -3.583 1.00 0.00 H new ATOM 0 HG22 ILE B 183 -0.219 8.205 -3.556 1.00 0.00 H new ATOM 0 HG23 ILE B 183 -1.446 8.175 -2.268 1.00 0.00 H new ATOM 0 HD11 ILE B 183 -2.493 12.162 -1.548 1.00 0.00 H new ATOM 0 HD12 ILE B 183 -1.180 12.203 -2.749 1.00 0.00 H new ATOM 0 HD13 ILE B 183 -2.423 10.932 -2.833 1.00 0.00 H new ATOM 974 N THR B 184 2.951 8.800 -2.531 1.00 0.00 N ATOM 975 CA THR B 184 3.951 8.045 -3.345 1.00 0.00 C ATOM 976 C THR B 184 4.751 7.109 -2.438 1.00 0.00 C ATOM 977 O THR B 184 5.147 6.031 -2.837 1.00 0.00 O ATOM 978 CB THR B 184 4.862 9.110 -3.958 1.00 0.00 C ATOM 979 OG1 THR B 184 4.075 10.041 -4.688 1.00 0.00 O ATOM 980 CG2 THR B 184 5.870 8.444 -4.897 1.00 0.00 C ATOM 0 H THR B 184 3.162 9.789 -2.396 1.00 0.00 H new ATOM 0 HA THR B 184 3.482 7.430 -4.114 1.00 0.00 H new ATOM 0 HB THR B 184 5.398 9.630 -3.164 1.00 0.00 H new ATOM 0 HG1 THR B 184 3.694 10.701 -4.072 1.00 0.00 H new ATOM 0 HG21 THR B 184 6.518 9.204 -5.333 1.00 0.00 H new ATOM 0 HG22 THR B 184 6.474 7.731 -4.336 1.00 0.00 H new ATOM 0 HG23 THR B 184 5.337 7.922 -5.692 1.00 0.00 H new ATOM 988 N MET B 185 4.982 7.516 -1.215 1.00 0.00 N ATOM 989 CA MET B 185 5.749 6.654 -0.266 1.00 0.00 C ATOM 990 C MET B 185 4.898 5.448 0.134 1.00 0.00 C ATOM 991 O MET B 185 5.384 4.336 0.211 1.00 0.00 O ATOM 992 CB MET B 185 6.036 7.540 0.948 1.00 0.00 C ATOM 993 CG MET B 185 7.468 8.075 0.869 1.00 0.00 C ATOM 994 SD MET B 185 7.607 9.222 -0.524 1.00 0.00 S ATOM 995 CE MET B 185 8.779 8.249 -1.501 1.00 0.00 C ATOM 0 H MET B 185 4.672 8.409 -0.833 1.00 0.00 H new ATOM 0 HA MET B 185 6.670 6.270 -0.704 1.00 0.00 H new ATOM 0 HB2 MET B 185 5.329 8.369 0.981 1.00 0.00 H new ATOM 0 HB3 MET B 185 5.901 6.969 1.867 1.00 0.00 H new ATOM 0 HG2 MET B 185 7.730 8.581 1.798 1.00 0.00 H new ATOM 0 HG3 MET B 185 8.170 7.250 0.746 1.00 0.00 H new ATOM 0 HE1 MET B 185 9.200 8.872 -2.290 1.00 0.00 H new ATOM 0 HE2 MET B 185 9.580 7.890 -0.856 1.00 0.00 H new ATOM 0 HE3 MET B 185 8.263 7.399 -1.947 1.00 0.00 H new ATOM 1005 N VAL B 186 3.629 5.663 0.378 1.00 0.00 N ATOM 1006 CA VAL B 186 2.740 4.527 0.762 1.00 0.00 C ATOM 1007 C VAL B 186 2.569 3.594 -0.436 1.00 0.00 C ATOM 1008 O VAL B 186 2.528 2.388 -0.293 1.00 0.00 O ATOM 1009 CB VAL B 186 1.400 5.164 1.150 1.00 0.00 C ATOM 1010 CG1 VAL B 186 0.408 4.071 1.563 1.00 0.00 C ATOM 1011 CG2 VAL B 186 1.613 6.122 2.325 1.00 0.00 C ATOM 0 H VAL B 186 3.173 6.574 0.328 1.00 0.00 H new ATOM 0 HA VAL B 186 3.147 3.937 1.584 1.00 0.00 H new ATOM 0 HB VAL B 186 1.002 5.712 0.296 1.00 0.00 H new ATOM 0 HG11 VAL B 186 -0.543 4.528 1.838 1.00 0.00 H new ATOM 0 HG12 VAL B 186 0.254 3.386 0.729 1.00 0.00 H new ATOM 0 HG13 VAL B 186 0.807 3.521 2.416 1.00 0.00 H new ATOM 0 HG21 VAL B 186 0.661 6.576 2.602 1.00 0.00 H new ATOM 0 HG22 VAL B 186 2.013 5.571 3.176 1.00 0.00 H new ATOM 0 HG23 VAL B 186 2.316 6.903 2.035 1.00 0.00 H new ATOM 1021 N GLU B 187 2.478 4.152 -1.616 1.00 0.00 N ATOM 1022 CA GLU B 187 2.317 3.308 -2.839 1.00 0.00 C ATOM 1023 C GLU B 187 3.550 2.424 -3.027 1.00 0.00 C ATOM 1024 O GLU B 187 3.458 1.306 -3.498 1.00 0.00 O ATOM 1025 CB GLU B 187 2.184 4.298 -4.001 1.00 0.00 C ATOM 1026 CG GLU B 187 1.806 3.541 -5.276 1.00 0.00 C ATOM 1027 CD GLU B 187 1.583 4.539 -6.413 1.00 0.00 C ATOM 1028 OE1 GLU B 187 2.506 5.278 -6.716 1.00 0.00 O ATOM 1029 OE2 GLU B 187 0.495 4.545 -6.965 1.00 0.00 O ATOM 0 H GLU B 187 2.508 5.157 -1.786 1.00 0.00 H new ATOM 0 HA GLU B 187 1.453 2.647 -2.773 1.00 0.00 H new ATOM 0 HB2 GLU B 187 1.425 5.046 -3.771 1.00 0.00 H new ATOM 0 HB3 GLU B 187 3.123 4.832 -4.147 1.00 0.00 H new ATOM 0 HG2 GLU B 187 2.596 2.839 -5.543 1.00 0.00 H new ATOM 0 HG3 GLU B 187 0.902 2.955 -5.110 1.00 0.00 H new ATOM 1036 N GLN B 188 4.702 2.919 -2.654 1.00 0.00 N ATOM 1037 CA GLN B 188 5.952 2.111 -2.800 1.00 0.00 C ATOM 1038 C GLN B 188 5.905 0.907 -1.859 1.00 0.00 C ATOM 1039 O GLN B 188 6.467 -0.135 -2.139 1.00 0.00 O ATOM 1040 CB GLN B 188 7.093 3.054 -2.410 1.00 0.00 C ATOM 1041 CG GLN B 188 8.332 2.731 -3.249 1.00 0.00 C ATOM 1042 CD GLN B 188 8.370 3.644 -4.477 1.00 0.00 C ATOM 1043 OE1 GLN B 188 9.417 4.131 -4.854 1.00 0.00 O ATOM 1044 NE2 GLN B 188 7.264 3.896 -5.124 1.00 0.00 N ATOM 0 H GLN B 188 4.832 3.848 -2.254 1.00 0.00 H new ATOM 0 HA GLN B 188 6.079 1.726 -3.812 1.00 0.00 H new ATOM 0 HB2 GLN B 188 6.793 4.090 -2.569 1.00 0.00 H new ATOM 0 HB3 GLN B 188 7.321 2.947 -1.349 1.00 0.00 H new ATOM 0 HG2 GLN B 188 9.234 2.868 -2.653 1.00 0.00 H new ATOM 0 HG3 GLN B 188 8.311 1.686 -3.560 1.00 0.00 H new ATOM 0 HE21 GLN B 188 6.384 3.488 -4.808 1.00 0.00 H new ATOM 0 HE22 GLN B 188 7.280 4.501 -5.945 1.00 0.00 H new ATOM 1053 N GLN B 189 5.231 1.045 -0.745 1.00 0.00 N ATOM 1054 CA GLN B 189 5.134 -0.087 0.224 1.00 0.00 C ATOM 1055 C GLN B 189 4.199 -1.175 -0.318 1.00 0.00 C ATOM 1056 O GLN B 189 4.272 -2.319 0.090 1.00 0.00 O ATOM 1057 CB GLN B 189 4.556 0.525 1.502 1.00 0.00 C ATOM 1058 CG GLN B 189 5.218 -0.120 2.723 1.00 0.00 C ATOM 1059 CD GLN B 189 6.666 0.360 2.832 1.00 0.00 C ATOM 1060 OE1 GLN B 189 7.580 -0.438 2.887 1.00 0.00 O ATOM 1061 NE2 GLN B 189 6.915 1.641 2.867 1.00 0.00 N ATOM 0 H GLN B 189 4.743 1.896 -0.465 1.00 0.00 H new ATOM 0 HA GLN B 189 6.101 -0.557 0.399 1.00 0.00 H new ATOM 0 HB2 GLN B 189 4.724 1.602 1.510 1.00 0.00 H new ATOM 0 HB3 GLN B 189 3.478 0.371 1.536 1.00 0.00 H new ATOM 0 HG2 GLN B 189 4.668 0.140 3.628 1.00 0.00 H new ATOM 0 HG3 GLN B 189 5.190 -1.206 2.634 1.00 0.00 H new ATOM 0 HE21 GLN B 189 6.147 2.311 2.821 1.00 0.00 H new ATOM 0 HE22 GLN B 189 7.877 1.972 2.941 1.00 0.00 H new ATOM 1070 N ILE B 190 3.325 -0.830 -1.234 1.00 0.00 N ATOM 1071 CA ILE B 190 2.388 -1.851 -1.800 1.00 0.00 C ATOM 1072 C ILE B 190 3.115 -2.686 -2.853 1.00 0.00 C ATOM 1073 O ILE B 190 2.930 -3.885 -2.947 1.00 0.00 O ATOM 1074 CB ILE B 190 1.232 -1.066 -2.446 1.00 0.00 C ATOM 1075 CG1 ILE B 190 0.663 -0.017 -1.471 1.00 0.00 C ATOM 1076 CG2 ILE B 190 0.118 -2.039 -2.837 1.00 0.00 C ATOM 1077 CD1 ILE B 190 0.186 -0.685 -0.175 1.00 0.00 C ATOM 0 H ILE B 190 3.221 0.111 -1.613 1.00 0.00 H new ATOM 0 HA ILE B 190 2.019 -2.530 -1.031 1.00 0.00 H new ATOM 0 HB ILE B 190 1.615 -0.551 -3.327 1.00 0.00 H new ATOM 0 HG12 ILE B 190 1.426 0.727 -1.243 1.00 0.00 H new ATOM 0 HG13 ILE B 190 -0.167 0.511 -1.941 1.00 0.00 H new ATOM 0 HG21 ILE B 190 -0.703 -1.487 -3.295 1.00 0.00 H new ATOM 0 HG22 ILE B 190 0.505 -2.769 -3.548 1.00 0.00 H new ATOM 0 HG23 ILE B 190 -0.243 -2.555 -1.947 1.00 0.00 H new ATOM 0 HD11 ILE B 190 -0.212 0.073 0.500 1.00 0.00 H new ATOM 0 HD12 ILE B 190 -0.594 -1.411 -0.406 1.00 0.00 H new ATOM 0 HD13 ILE B 190 1.024 -1.192 0.303 1.00 0.00 H new ATOM 1089 N SER B 191 3.947 -2.057 -3.641 1.00 0.00 N ATOM 1090 CA SER B 191 4.702 -2.804 -4.692 1.00 0.00 C ATOM 1091 C SER B 191 5.787 -3.663 -4.037 1.00 0.00 C ATOM 1092 O SER B 191 6.145 -4.713 -4.537 1.00 0.00 O ATOM 1093 CB SER B 191 5.329 -1.729 -5.582 1.00 0.00 C ATOM 1094 OG SER B 191 5.188 -2.108 -6.945 1.00 0.00 O ATOM 0 H SER B 191 4.137 -1.056 -3.602 1.00 0.00 H new ATOM 0 HA SER B 191 4.062 -3.474 -5.266 1.00 0.00 H new ATOM 0 HB2 SER B 191 4.845 -0.768 -5.408 1.00 0.00 H new ATOM 0 HB3 SER B 191 6.383 -1.604 -5.334 1.00 0.00 H new ATOM 0 HG SER B 191 5.587 -1.421 -7.519 1.00 0.00 H new ATOM 1100 N LYS B 192 6.305 -3.222 -2.919 1.00 0.00 N ATOM 1101 CA LYS B 192 7.363 -4.007 -2.217 1.00 0.00 C ATOM 1102 C LYS B 192 6.735 -5.212 -1.513 1.00 0.00 C ATOM 1103 O LYS B 192 7.318 -6.278 -1.453 1.00 0.00 O ATOM 1104 CB LYS B 192 7.971 -3.042 -1.196 1.00 0.00 C ATOM 1105 CG LYS B 192 8.597 -1.852 -1.927 1.00 0.00 C ATOM 1106 CD LYS B 192 10.087 -2.116 -2.154 1.00 0.00 C ATOM 1107 CE LYS B 192 10.618 -1.160 -3.223 1.00 0.00 C ATOM 1108 NZ LYS B 192 10.388 -1.862 -4.517 1.00 0.00 N ATOM 0 H LYS B 192 6.040 -2.350 -2.462 1.00 0.00 H new ATOM 0 HA LYS B 192 8.117 -4.392 -2.903 1.00 0.00 H new ATOM 0 HB2 LYS B 192 7.202 -2.695 -0.506 1.00 0.00 H new ATOM 0 HB3 LYS B 192 8.726 -3.555 -0.600 1.00 0.00 H new ATOM 0 HG2 LYS B 192 8.096 -1.694 -2.882 1.00 0.00 H new ATOM 0 HG3 LYS B 192 8.463 -0.942 -1.342 1.00 0.00 H new ATOM 0 HD2 LYS B 192 10.637 -1.979 -1.223 1.00 0.00 H new ATOM 0 HD3 LYS B 192 10.241 -3.149 -2.466 1.00 0.00 H new ATOM 0 HE2 LYS B 192 10.094 -0.205 -3.194 1.00 0.00 H new ATOM 0 HE3 LYS B 192 11.676 -0.948 -3.072 1.00 0.00 H new ATOM 0 HZ1 LYS B 192 10.727 -1.267 -5.300 1.00 0.00 H new ATOM 0 HZ2 LYS B 192 10.905 -2.765 -4.519 1.00 0.00 H new ATOM 0 HZ3 LYS B 192 9.371 -2.045 -4.637 1.00 0.00 H new ATOM 1122 N LEU B 193 5.547 -5.049 -0.985 1.00 0.00 N ATOM 1123 CA LEU B 193 4.870 -6.184 -0.288 1.00 0.00 C ATOM 1124 C LEU B 193 4.356 -7.204 -1.311 1.00 0.00 C ATOM 1125 O LEU B 193 4.141 -8.358 -0.988 1.00 0.00 O ATOM 1126 CB LEU B 193 3.704 -5.548 0.477 1.00 0.00 C ATOM 1127 CG LEU B 193 3.628 -6.137 1.894 1.00 0.00 C ATOM 1128 CD1 LEU B 193 3.379 -5.014 2.905 1.00 0.00 C ATOM 1129 CD2 LEU B 193 2.482 -7.151 1.967 1.00 0.00 C ATOM 0 H LEU B 193 5.017 -4.178 -1.007 1.00 0.00 H new ATOM 0 HA LEU B 193 5.546 -6.719 0.379 1.00 0.00 H new ATOM 0 HB2 LEU B 193 3.838 -4.467 0.529 1.00 0.00 H new ATOM 0 HB3 LEU B 193 2.768 -5.728 -0.052 1.00 0.00 H new ATOM 0 HG LEU B 193 4.569 -6.634 2.128 1.00 0.00 H new ATOM 0 HD11 LEU B 193 3.325 -5.434 3.909 1.00 0.00 H new ATOM 0 HD12 LEU B 193 4.195 -4.293 2.856 1.00 0.00 H new ATOM 0 HD13 LEU B 193 2.439 -4.515 2.670 1.00 0.00 H new ATOM 0 HD21 LEU B 193 2.429 -7.568 2.973 1.00 0.00 H new ATOM 0 HD22 LEU B 193 1.541 -6.654 1.730 1.00 0.00 H new ATOM 0 HD23 LEU B 193 2.659 -7.953 1.250 1.00 0.00 H new ATOM 1141 N LYS B 194 4.169 -6.795 -2.542 1.00 0.00 N ATOM 1142 CA LYS B 194 3.688 -7.750 -3.583 1.00 0.00 C ATOM 1143 C LYS B 194 4.863 -8.587 -4.093 1.00 0.00 C ATOM 1144 O LYS B 194 4.695 -9.718 -4.510 1.00 0.00 O ATOM 1145 CB LYS B 194 3.120 -6.873 -4.702 1.00 0.00 C ATOM 1146 CG LYS B 194 2.052 -7.654 -5.470 1.00 0.00 C ATOM 1147 CD LYS B 194 0.758 -7.688 -4.655 1.00 0.00 C ATOM 1148 CE LYS B 194 -0.441 -7.778 -5.600 1.00 0.00 C ATOM 1149 NZ LYS B 194 -1.454 -8.581 -4.861 1.00 0.00 N ATOM 0 H LYS B 194 4.329 -5.842 -2.869 1.00 0.00 H new ATOM 0 HA LYS B 194 2.939 -8.444 -3.201 1.00 0.00 H new ATOM 0 HB2 LYS B 194 2.690 -5.964 -4.283 1.00 0.00 H new ATOM 0 HB3 LYS B 194 3.918 -6.566 -5.378 1.00 0.00 H new ATOM 0 HG2 LYS B 194 1.872 -7.188 -6.439 1.00 0.00 H new ATOM 0 HG3 LYS B 194 2.398 -8.669 -5.664 1.00 0.00 H new ATOM 0 HD2 LYS B 194 0.765 -8.542 -3.978 1.00 0.00 H new ATOM 0 HD3 LYS B 194 0.681 -6.793 -4.038 1.00 0.00 H new ATOM 0 HE2 LYS B 194 -0.825 -6.788 -5.846 1.00 0.00 H new ATOM 0 HE3 LYS B 194 -0.167 -8.256 -6.540 1.00 0.00 H new ATOM 0 HZ1 LYS B 194 -2.294 -8.715 -5.459 1.00 0.00 H new ATOM 0 HZ2 LYS B 194 -1.051 -9.508 -4.617 1.00 0.00 H new ATOM 0 HZ3 LYS B 194 -1.725 -8.081 -3.990 1.00 0.00 H new ATOM 1163 N LYS B 195 6.053 -8.039 -4.052 1.00 0.00 N ATOM 1164 CA LYS B 195 7.249 -8.799 -4.522 1.00 0.00 C ATOM 1165 C LYS B 195 7.621 -9.866 -3.492 1.00 0.00 C ATOM 1166 O LYS B 195 7.973 -10.978 -3.842 1.00 0.00 O ATOM 1167 CB LYS B 195 8.363 -7.758 -4.650 1.00 0.00 C ATOM 1168 CG LYS B 195 9.339 -8.187 -5.748 1.00 0.00 C ATOM 1169 CD LYS B 195 8.850 -7.665 -7.100 1.00 0.00 C ATOM 1170 CE LYS B 195 9.452 -8.512 -8.224 1.00 0.00 C ATOM 1171 NZ LYS B 195 8.987 -7.867 -9.483 1.00 0.00 N ATOM 0 H LYS B 195 6.246 -7.097 -3.713 1.00 0.00 H new ATOM 0 HA LYS B 195 7.071 -9.312 -5.467 1.00 0.00 H new ATOM 0 HB2 LYS B 195 7.938 -6.783 -4.887 1.00 0.00 H new ATOM 0 HB3 LYS B 195 8.889 -7.654 -3.701 1.00 0.00 H new ATOM 0 HG2 LYS B 195 10.335 -7.799 -5.535 1.00 0.00 H new ATOM 0 HG3 LYS B 195 9.419 -9.274 -5.773 1.00 0.00 H new ATOM 0 HD2 LYS B 195 7.762 -7.704 -7.144 1.00 0.00 H new ATOM 0 HD3 LYS B 195 9.137 -6.621 -7.224 1.00 0.00 H new ATOM 0 HE2 LYS B 195 10.540 -8.528 -8.167 1.00 0.00 H new ATOM 0 HE3 LYS B 195 9.115 -9.547 -8.163 1.00 0.00 H new ATOM 0 HZ1 LYS B 195 9.360 -8.392 -10.300 1.00 0.00 H new ATOM 0 HZ2 LYS B 195 7.947 -7.873 -9.513 1.00 0.00 H new ATOM 0 HZ3 LYS B 195 9.329 -6.885 -9.517 1.00 0.00 H new ATOM 1185 N LYS B 196 7.536 -9.541 -2.225 1.00 0.00 N ATOM 1186 CA LYS B 196 7.877 -10.547 -1.172 1.00 0.00 C ATOM 1187 C LYS B 196 6.880 -11.711 -1.229 1.00 0.00 C ATOM 1188 O LYS B 196 7.193 -12.823 -0.848 1.00 0.00 O ATOM 1189 CB LYS B 196 7.784 -9.800 0.165 1.00 0.00 C ATOM 1190 CG LYS B 196 6.375 -9.245 0.364 1.00 0.00 C ATOM 1191 CD LYS B 196 6.180 -8.859 1.833 1.00 0.00 C ATOM 1192 CE LYS B 196 4.734 -9.133 2.247 1.00 0.00 C ATOM 1193 NZ LYS B 196 4.751 -10.513 2.809 1.00 0.00 N ATOM 0 H LYS B 196 7.247 -8.627 -1.876 1.00 0.00 H new ATOM 0 HA LYS B 196 8.872 -10.971 -1.310 1.00 0.00 H new ATOM 0 HB2 LYS B 196 8.036 -10.473 0.984 1.00 0.00 H new ATOM 0 HB3 LYS B 196 8.509 -8.987 0.186 1.00 0.00 H new ATOM 0 HG2 LYS B 196 6.222 -8.375 -0.275 1.00 0.00 H new ATOM 0 HG3 LYS B 196 5.635 -9.990 0.071 1.00 0.00 H new ATOM 0 HD2 LYS B 196 6.863 -9.428 2.463 1.00 0.00 H new ATOM 0 HD3 LYS B 196 6.417 -7.805 1.977 1.00 0.00 H new ATOM 0 HE2 LYS B 196 4.391 -8.409 2.987 1.00 0.00 H new ATOM 0 HE3 LYS B 196 4.059 -9.062 1.394 1.00 0.00 H new ATOM 0 HZ1 LYS B 196 4.164 -10.546 3.667 1.00 0.00 H new ATOM 0 HZ2 LYS B 196 4.373 -11.179 2.105 1.00 0.00 H new ATOM 0 HZ3 LYS B 196 5.728 -10.779 3.048 1.00 0.00 H new ATOM 1207 N GLN B 197 5.686 -11.463 -1.715 1.00 0.00 N ATOM 1208 CA GLN B 197 4.672 -12.556 -1.810 1.00 0.00 C ATOM 1209 C GLN B 197 5.094 -13.554 -2.890 1.00 0.00 C ATOM 1210 O GLN B 197 4.807 -14.734 -2.804 1.00 0.00 O ATOM 1211 CB GLN B 197 3.363 -11.864 -2.197 1.00 0.00 C ATOM 1212 CG GLN B 197 2.236 -12.897 -2.250 1.00 0.00 C ATOM 1213 CD GLN B 197 1.774 -13.223 -0.829 1.00 0.00 C ATOM 1214 OE1 GLN B 197 2.512 -13.802 -0.056 1.00 0.00 O ATOM 1215 NE2 GLN B 197 0.575 -12.873 -0.449 1.00 0.00 N ATOM 0 H GLN B 197 5.373 -10.552 -2.049 1.00 0.00 H new ATOM 0 HA GLN B 197 4.569 -13.110 -0.877 1.00 0.00 H new ATOM 0 HB2 GLN B 197 3.123 -11.085 -1.473 1.00 0.00 H new ATOM 0 HB3 GLN B 197 3.470 -11.376 -3.166 1.00 0.00 H new ATOM 0 HG2 GLN B 197 1.402 -12.510 -2.835 1.00 0.00 H new ATOM 0 HG3 GLN B 197 2.582 -13.803 -2.748 1.00 0.00 H new ATOM 0 HE21 GLN B 197 -0.044 -12.387 -1.098 1.00 0.00 H new ATOM 0 HE22 GLN B 197 0.257 -13.085 0.497 1.00 0.00 H new ATOM 1224 N GLN B 198 5.780 -13.085 -3.902 1.00 0.00 N ATOM 1225 CA GLN B 198 6.236 -13.999 -4.992 1.00 0.00 C ATOM 1226 C GLN B 198 7.190 -15.047 -4.422 1.00 0.00 C ATOM 1227 O GLN B 198 7.097 -16.220 -4.733 1.00 0.00 O ATOM 1228 CB GLN B 198 6.964 -13.102 -5.997 1.00 0.00 C ATOM 1229 CG GLN B 198 6.730 -13.621 -7.422 1.00 0.00 C ATOM 1230 CD GLN B 198 6.387 -12.450 -8.346 1.00 0.00 C ATOM 1231 OE1 GLN B 198 6.943 -12.323 -9.420 1.00 0.00 O ATOM 1232 NE2 GLN B 198 5.489 -11.582 -7.970 1.00 0.00 N ATOM 0 H GLN B 198 6.044 -12.107 -4.020 1.00 0.00 H new ATOM 0 HA GLN B 198 5.407 -14.532 -5.458 1.00 0.00 H new ATOM 0 HB2 GLN B 198 6.605 -12.077 -5.910 1.00 0.00 H new ATOM 0 HB3 GLN B 198 8.031 -13.085 -5.777 1.00 0.00 H new ATOM 0 HG2 GLN B 198 7.621 -14.134 -7.784 1.00 0.00 H new ATOM 0 HG3 GLN B 198 5.919 -14.350 -7.426 1.00 0.00 H new ATOM 0 HE21 GLN B 198 5.023 -11.688 -7.069 1.00 0.00 H new ATOM 0 HE22 GLN B 198 5.253 -10.797 -8.577 1.00 0.00 H new ATOM 1241 N GLN B 199 8.098 -14.628 -3.581 1.00 0.00 N ATOM 1242 CA GLN B 199 9.063 -15.594 -2.970 1.00 0.00 C ATOM 1243 C GLN B 199 8.300 -16.630 -2.143 1.00 0.00 C ATOM 1244 O GLN B 199 8.708 -17.771 -2.029 1.00 0.00 O ATOM 1245 CB GLN B 199 9.971 -14.749 -2.072 1.00 0.00 C ATOM 1246 CG GLN B 199 11.174 -14.257 -2.879 1.00 0.00 C ATOM 1247 CD GLN B 199 11.689 -12.947 -2.283 1.00 0.00 C ATOM 1248 OE1 GLN B 199 12.649 -12.941 -1.539 1.00 0.00 O ATOM 1249 NE2 GLN B 199 11.086 -11.828 -2.579 1.00 0.00 N ATOM 0 H GLN B 199 8.215 -13.658 -3.289 1.00 0.00 H new ATOM 0 HA GLN B 199 9.638 -16.137 -3.720 1.00 0.00 H new ATOM 0 HB2 GLN B 199 9.416 -13.900 -1.672 1.00 0.00 H new ATOM 0 HB3 GLN B 199 10.308 -15.339 -1.220 1.00 0.00 H new ATOM 0 HG2 GLN B 199 11.964 -15.008 -2.869 1.00 0.00 H new ATOM 0 HG3 GLN B 199 10.890 -14.108 -3.921 1.00 0.00 H new ATOM 0 HE21 GLN B 199 10.280 -11.833 -3.204 1.00 0.00 H new ATOM 0 HE22 GLN B 199 11.421 -10.949 -2.186 1.00 0.00 H new ATOM 1258 N LEU B 200 7.188 -16.237 -1.574 1.00 0.00 N ATOM 1259 CA LEU B 200 6.379 -17.193 -0.762 1.00 0.00 C ATOM 1260 C LEU B 200 5.592 -18.116 -1.693 1.00 0.00 C ATOM 1261 O LEU B 200 5.445 -19.296 -1.435 1.00 0.00 O ATOM 1262 CB LEU B 200 5.429 -16.318 0.060 1.00 0.00 C ATOM 1263 CG LEU B 200 5.230 -16.935 1.444 1.00 0.00 C ATOM 1264 CD1 LEU B 200 6.484 -16.707 2.291 1.00 0.00 C ATOM 1265 CD2 LEU B 200 4.029 -16.274 2.127 1.00 0.00 C ATOM 0 H LEU B 200 6.806 -15.293 -1.638 1.00 0.00 H new ATOM 0 HA LEU B 200 6.995 -17.825 -0.122 1.00 0.00 H new ATOM 0 HB2 LEU B 200 5.836 -15.311 0.155 1.00 0.00 H new ATOM 0 HB3 LEU B 200 4.470 -16.227 -0.450 1.00 0.00 H new ATOM 0 HG LEU B 200 5.050 -18.005 1.342 1.00 0.00 H new ATOM 0 HD11 LEU B 200 6.341 -17.147 3.278 1.00 0.00 H new ATOM 0 HD12 LEU B 200 7.341 -17.174 1.806 1.00 0.00 H new ATOM 0 HD13 LEU B 200 6.664 -15.637 2.394 1.00 0.00 H new ATOM 0 HD21 LEU B 200 3.885 -16.713 3.114 1.00 0.00 H new ATOM 0 HD22 LEU B 200 4.211 -15.204 2.228 1.00 0.00 H new ATOM 0 HD23 LEU B 200 3.135 -16.434 1.525 1.00 0.00 H new ATOM 1277 N GLU B 201 5.096 -17.583 -2.781 1.00 0.00 N ATOM 1278 CA GLU B 201 4.326 -18.421 -3.747 1.00 0.00 C ATOM 1279 C GLU B 201 5.292 -19.277 -4.567 1.00 0.00 C ATOM 1280 O GLU B 201 4.969 -20.377 -4.975 1.00 0.00 O ATOM 1281 CB GLU B 201 3.591 -17.426 -4.649 1.00 0.00 C ATOM 1282 CG GLU B 201 2.313 -16.953 -3.954 1.00 0.00 C ATOM 1283 CD GLU B 201 1.471 -16.136 -4.936 1.00 0.00 C ATOM 1284 OE1 GLU B 201 1.700 -14.942 -5.029 1.00 0.00 O ATOM 1285 OE2 GLU B 201 0.613 -16.719 -5.578 1.00 0.00 O ATOM 0 H GLU B 201 5.192 -16.602 -3.042 1.00 0.00 H new ATOM 0 HA GLU B 201 3.632 -19.098 -3.250 1.00 0.00 H new ATOM 0 HB2 GLU B 201 4.235 -16.574 -4.869 1.00 0.00 H new ATOM 0 HB3 GLU B 201 3.347 -17.895 -5.602 1.00 0.00 H new ATOM 0 HG2 GLU B 201 1.743 -17.810 -3.595 1.00 0.00 H new ATOM 0 HG3 GLU B 201 2.563 -16.348 -3.082 1.00 0.00 H new