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 -170:sc= 0.00528 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.135 X(o=-0.13,f=-0.13) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 171:sc= 1.04 (180deg=0.969) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 85 GLN : amide:sc= -0.0524 X(o=-0.052,f=-0.53) USER MOD Single : A 89 GLN : amide:sc= -0.69 X(o=-0.69,f=-0.94) USER MOD Single : B 168 SER OG : rot -9:sc= 0.945 USER MOD Single : B 169 LYS NZ :NH3+ -129:sc=-0.00485 (180deg=-0.547) USER MOD Single : B 174 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 175 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 176 MET CE :methyl 160:sc= -8.43! (180deg=-10.8!) USER MOD Single : B 184 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : B 185 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 188 GLN : amide:sc= -0.579 K(o=-0.58,f=0) USER MOD Single : B 189 GLN : amide:sc= -0.451 X(o=-0.45,f=0) USER MOD Single : B 191 SER OG : rot 90:sc= 0.0321 USER MOD Single : B 192 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 195 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.103) USER MOD Single : B 196 LYS NZ :NH3+ -137:sc= -0.196 (180deg=-1.92!) USER MOD Single : B 197 GLN : amide:sc= -2.86 K(o=-2.9,f=-10!) USER MOD Single : B 198 GLN : amide:sc= -0.373 X(o=-0.37,f=-0.12) USER MOD Single : B 199 GLN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD ----------------------------------------------------------------- ATOM 161 N LEU A 62 0.568 -18.093 3.394 1.00 0.00 N ATOM 162 CA LEU A 62 0.218 -17.319 2.164 1.00 0.00 C ATOM 163 C LEU A 62 -1.138 -16.632 2.342 1.00 0.00 C ATOM 164 O LEU A 62 -1.393 -15.587 1.773 1.00 0.00 O ATOM 165 CB LEU A 62 0.152 -18.355 1.039 1.00 0.00 C ATOM 166 CG LEU A 62 0.002 -17.641 -0.307 1.00 0.00 C ATOM 167 CD1 LEU A 62 1.386 -17.338 -0.882 1.00 0.00 C ATOM 168 CD2 LEU A 62 -0.765 -18.543 -1.278 1.00 0.00 C ATOM 0 HA LEU A 62 0.947 -16.537 1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.055 -18.966 1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.689 -19.029 1.200 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.544 -16.709 -0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.279 -16.830 -1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.935 -16.698 -0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.933 -18.270 -1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.873 -18.036 -2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.217 -19.475 -1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.752 -18.761 -0.870 1.00 0.00 H new ATOM 180 N GLU A 63 -2.006 -17.212 3.132 1.00 0.00 N ATOM 181 CA GLU A 63 -3.350 -16.597 3.354 1.00 0.00 C ATOM 182 C GLU A 63 -3.232 -15.407 4.308 1.00 0.00 C ATOM 183 O GLU A 63 -3.971 -14.445 4.207 1.00 0.00 O ATOM 184 CB GLU A 63 -4.203 -17.704 3.978 1.00 0.00 C ATOM 185 CG GLU A 63 -4.763 -18.602 2.873 1.00 0.00 C ATOM 186 CD GLU A 63 -6.048 -19.272 3.361 1.00 0.00 C ATOM 187 OE1 GLU A 63 -6.009 -19.887 4.413 1.00 0.00 O ATOM 188 OE2 GLU A 63 -7.050 -19.158 2.673 1.00 0.00 O ATOM 0 H GLU A 63 -1.842 -18.085 3.633 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.789 -16.223 2.429 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.602 -18.294 4.671 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.019 -17.268 4.555 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.965 -18.013 1.978 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.028 -19.358 2.597 1.00 0.00 H new ATOM 195 N GLU A 64 -2.303 -15.464 5.227 1.00 0.00 N ATOM 196 CA GLU A 64 -2.124 -14.335 6.190 1.00 0.00 C ATOM 197 C GLU A 64 -1.403 -13.176 5.501 1.00 0.00 C ATOM 198 O GLU A 64 -1.618 -12.022 5.819 1.00 0.00 O ATOM 199 CB GLU A 64 -1.270 -14.904 7.324 1.00 0.00 C ATOM 200 CG GLU A 64 -2.165 -15.667 8.304 1.00 0.00 C ATOM 201 CD GLU A 64 -1.322 -16.186 9.469 1.00 0.00 C ATOM 202 OE1 GLU A 64 -0.391 -16.932 9.214 1.00 0.00 O ATOM 203 OE2 GLU A 64 -1.620 -15.828 10.596 1.00 0.00 O ATOM 0 H GLU A 64 -1.659 -16.245 5.353 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.074 -13.949 6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.506 -15.568 6.920 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.750 -14.098 7.842 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.955 -15.014 8.676 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.652 -16.499 7.795 1.00 0.00 H new ATOM 210 N THR A 65 -0.554 -13.481 4.553 1.00 0.00 N ATOM 211 CA THR A 65 0.182 -12.403 3.826 1.00 0.00 C ATOM 212 C THR A 65 -0.759 -11.709 2.840 1.00 0.00 C ATOM 213 O THR A 65 -0.614 -10.536 2.551 1.00 0.00 O ATOM 214 CB THR A 65 1.310 -13.120 3.080 1.00 0.00 C ATOM 215 OG1 THR A 65 1.917 -14.071 3.943 1.00 0.00 O ATOM 216 CG2 THR A 65 2.358 -12.101 2.627 1.00 0.00 C ATOM 0 H THR A 65 -0.339 -14.431 4.251 1.00 0.00 H new ATOM 0 HA THR A 65 0.568 -11.637 4.498 1.00 0.00 H new ATOM 0 HB THR A 65 0.900 -13.628 2.207 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.734 -14.417 3.526 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.160 -12.615 2.096 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.893 -11.371 1.964 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.769 -11.590 3.498 1.00 0.00 H new ATOM 224 N LYS A 66 -1.727 -12.428 2.328 1.00 0.00 N ATOM 225 CA LYS A 66 -2.690 -11.816 1.364 1.00 0.00 C ATOM 226 C LYS A 66 -3.636 -10.862 2.098 1.00 0.00 C ATOM 227 O LYS A 66 -4.145 -9.918 1.523 1.00 0.00 O ATOM 228 CB LYS A 66 -3.470 -12.993 0.772 1.00 0.00 C ATOM 229 CG LYS A 66 -2.692 -13.582 -0.405 1.00 0.00 C ATOM 230 CD LYS A 66 -2.812 -12.653 -1.615 1.00 0.00 C ATOM 231 CE LYS A 66 -1.578 -12.811 -2.507 1.00 0.00 C ATOM 232 NZ LYS A 66 -2.085 -12.645 -3.897 1.00 0.00 N ATOM 0 H LYS A 66 -1.891 -13.413 2.537 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.185 -11.235 0.592 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.630 -13.756 1.534 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.454 -12.661 0.441 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.644 -13.709 -0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.080 -14.570 -0.652 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.714 -12.889 -2.180 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.904 -11.618 -1.284 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.821 -12.063 -2.271 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.114 -13.788 -2.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.296 -12.740 -4.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.799 -13.375 -4.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.515 -11.704 -4.000 1.00 0.00 H new ATOM 246 N GLU A 67 -3.872 -11.102 3.364 1.00 0.00 N ATOM 247 CA GLU A 67 -4.785 -10.209 4.142 1.00 0.00 C ATOM 248 C GLU A 67 -4.103 -8.870 4.420 1.00 0.00 C ATOM 249 O GLU A 67 -4.737 -7.831 4.429 1.00 0.00 O ATOM 250 CB GLU A 67 -5.063 -10.954 5.450 1.00 0.00 C ATOM 251 CG GLU A 67 -6.507 -10.699 5.885 1.00 0.00 C ATOM 252 CD GLU A 67 -6.764 -11.382 7.230 1.00 0.00 C ATOM 253 OE1 GLU A 67 -6.953 -12.587 7.233 1.00 0.00 O ATOM 254 OE2 GLU A 67 -6.765 -10.687 8.233 1.00 0.00 O ATOM 0 H GLU A 67 -3.472 -11.878 3.892 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.705 -9.991 3.600 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.896 -12.023 5.315 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.374 -10.619 6.225 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.689 -9.628 5.969 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.197 -11.082 5.133 1.00 0.00 H new ATOM 261 N GLN A 68 -2.814 -8.886 4.641 1.00 0.00 N ATOM 262 CA GLN A 68 -2.081 -7.613 4.913 1.00 0.00 C ATOM 263 C GLN A 68 -1.888 -6.841 3.609 1.00 0.00 C ATOM 264 O GLN A 68 -1.934 -5.625 3.584 1.00 0.00 O ATOM 265 CB GLN A 68 -0.732 -8.041 5.495 1.00 0.00 C ATOM 266 CG GLN A 68 0.080 -6.799 5.870 1.00 0.00 C ATOM 267 CD GLN A 68 -0.608 -6.068 7.025 1.00 0.00 C ATOM 268 OE1 GLN A 68 -0.548 -6.506 8.157 1.00 0.00 O ATOM 269 NE2 GLN A 68 -1.262 -4.965 6.786 1.00 0.00 N ATOM 0 H GLN A 68 -2.236 -9.727 4.645 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.621 -6.959 5.597 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.885 -8.667 6.374 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.184 -8.641 4.768 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.091 -7.086 6.158 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.170 -6.137 5.009 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -1.312 -4.598 5.836 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.723 -4.470 7.549 1.00 0.00 H new ATOM 278 N ILE A 69 -1.684 -7.544 2.527 1.00 0.00 N ATOM 279 CA ILE A 69 -1.497 -6.864 1.211 1.00 0.00 C ATOM 280 C ILE A 69 -2.850 -6.362 0.698 1.00 0.00 C ATOM 281 O ILE A 69 -2.926 -5.380 -0.016 1.00 0.00 O ATOM 282 CB ILE A 69 -0.919 -7.936 0.278 1.00 0.00 C ATOM 283 CG1 ILE A 69 0.412 -8.440 0.844 1.00 0.00 C ATOM 284 CG2 ILE A 69 -0.678 -7.341 -1.113 1.00 0.00 C ATOM 285 CD1 ILE A 69 0.789 -9.759 0.171 1.00 0.00 C ATOM 0 H ILE A 69 -1.639 -8.563 2.497 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.836 -6.000 1.276 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.627 -8.762 0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.194 -7.699 0.677 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.330 -8.580 1.922 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.268 -8.107 -1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.621 -6.979 -1.522 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.026 -6.513 -1.037 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.736 -10.116 0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.012 -10.499 0.360 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.888 -9.604 -0.903 1.00 0.00 H new ATOM 297 N LEU A 70 -3.917 -7.026 1.069 1.00 0.00 N ATOM 298 CA LEU A 70 -5.271 -6.585 0.618 1.00 0.00 C ATOM 299 C LEU A 70 -5.695 -5.345 1.405 1.00 0.00 C ATOM 300 O LEU A 70 -6.315 -4.445 0.871 1.00 0.00 O ATOM 301 CB LEU A 70 -6.201 -7.763 0.921 1.00 0.00 C ATOM 302 CG LEU A 70 -7.601 -7.459 0.387 1.00 0.00 C ATOM 303 CD1 LEU A 70 -8.297 -8.766 0.003 1.00 0.00 C ATOM 304 CD2 LEU A 70 -8.415 -6.749 1.471 1.00 0.00 C ATOM 0 H LEU A 70 -3.908 -7.854 1.665 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.294 -6.321 -0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.815 -8.673 0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.241 -7.941 1.996 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.523 -6.818 -0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.295 -8.549 -0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.717 -9.274 -0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.375 -9.408 0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.414 -6.531 1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.492 -7.392 2.348 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.920 -5.817 1.746 1.00 0.00 H new ATOM 316 N LYS A 71 -5.353 -5.289 2.668 1.00 0.00 N ATOM 317 CA LYS A 71 -5.723 -4.098 3.491 1.00 0.00 C ATOM 318 C LYS A 71 -4.970 -2.869 2.977 1.00 0.00 C ATOM 319 O LYS A 71 -5.443 -1.753 3.077 1.00 0.00 O ATOM 320 CB LYS A 71 -5.287 -4.438 4.918 1.00 0.00 C ATOM 321 CG LYS A 71 -5.695 -3.304 5.861 1.00 0.00 C ATOM 322 CD LYS A 71 -6.096 -3.886 7.219 1.00 0.00 C ATOM 323 CE LYS A 71 -7.126 -2.971 7.885 1.00 0.00 C ATOM 324 NZ LYS A 71 -8.111 -3.894 8.515 1.00 0.00 N ATOM 0 H LYS A 71 -4.835 -6.015 3.163 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.789 -3.873 3.443 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.747 -5.373 5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.208 -4.585 4.954 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.869 -2.604 5.984 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.527 -2.744 5.434 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.512 -4.885 7.089 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.218 -3.987 7.857 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.658 -2.326 8.629 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.606 -2.320 7.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.850 -3.340 8.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.545 -4.491 7.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.627 -4.497 9.211 1.00 0.00 H new ATOM 338 N LEU A 72 -3.801 -3.074 2.422 1.00 0.00 N ATOM 339 CA LEU A 72 -3.008 -1.925 1.889 1.00 0.00 C ATOM 340 C LEU A 72 -3.781 -1.237 0.762 1.00 0.00 C ATOM 341 O LEU A 72 -3.692 -0.036 0.583 1.00 0.00 O ATOM 342 CB LEU A 72 -1.713 -2.540 1.352 1.00 0.00 C ATOM 343 CG LEU A 72 -0.599 -2.383 2.389 1.00 0.00 C ATOM 344 CD1 LEU A 72 0.656 -3.114 1.906 1.00 0.00 C ATOM 345 CD2 LEU A 72 -0.282 -0.897 2.579 1.00 0.00 C ATOM 0 H LEU A 72 -3.362 -3.988 2.315 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.810 -1.172 2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.867 -3.595 1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.427 -2.053 0.420 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.925 -2.809 3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.449 -3.002 2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.432 -4.172 1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.982 -2.689 0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.512 -0.786 3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.043 -0.470 1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.175 -0.376 2.924 1.00 0.00 H new ATOM 357 N GLU A 73 -4.542 -1.989 0.003 1.00 0.00 N ATOM 358 CA GLU A 73 -5.326 -1.375 -1.114 1.00 0.00 C ATOM 359 C GLU A 73 -6.319 -0.357 -0.554 1.00 0.00 C ATOM 360 O GLU A 73 -6.567 0.674 -1.151 1.00 0.00 O ATOM 361 CB GLU A 73 -6.064 -2.538 -1.783 1.00 0.00 C ATOM 362 CG GLU A 73 -5.166 -3.165 -2.852 1.00 0.00 C ATOM 363 CD GLU A 73 -5.680 -4.564 -3.192 1.00 0.00 C ATOM 364 OE1 GLU A 73 -6.887 -4.731 -3.258 1.00 0.00 O ATOM 365 OE2 GLU A 73 -4.858 -5.445 -3.384 1.00 0.00 O ATOM 0 H GLU A 73 -4.654 -2.997 0.108 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.689 -0.847 -1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.337 -3.286 -1.038 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.991 -2.183 -2.234 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.157 -2.542 -3.746 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.139 -3.221 -2.492 1.00 0.00 H new ATOM 372 N GLU A 74 -6.875 -0.636 0.596 1.00 0.00 N ATOM 373 CA GLU A 74 -7.843 0.319 1.214 1.00 0.00 C ATOM 374 C GLU A 74 -7.076 1.480 1.845 1.00 0.00 C ATOM 375 O GLU A 74 -7.549 2.600 1.890 1.00 0.00 O ATOM 376 CB GLU A 74 -8.582 -0.488 2.286 1.00 0.00 C ATOM 377 CG GLU A 74 -9.995 -0.821 1.801 1.00 0.00 C ATOM 378 CD GLU A 74 -10.699 -1.692 2.843 1.00 0.00 C ATOM 379 OE1 GLU A 74 -10.404 -2.875 2.896 1.00 0.00 O ATOM 380 OE2 GLU A 74 -11.523 -1.162 3.570 1.00 0.00 O ATOM 0 H GLU A 74 -6.701 -1.484 1.135 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.537 0.741 0.487 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.036 -1.406 2.504 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.631 0.082 3.214 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.560 0.096 1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.950 -1.343 0.845 1.00 0.00 H new ATOM 387 N LYS A 75 -5.887 1.216 2.323 1.00 0.00 N ATOM 388 CA LYS A 75 -5.066 2.297 2.947 1.00 0.00 C ATOM 389 C LYS A 75 -4.508 3.213 1.856 1.00 0.00 C ATOM 390 O LYS A 75 -4.314 4.395 2.068 1.00 0.00 O ATOM 391 CB LYS A 75 -3.931 1.572 3.674 1.00 0.00 C ATOM 392 CG LYS A 75 -3.549 2.354 4.933 1.00 0.00 C ATOM 393 CD LYS A 75 -4.660 2.222 5.975 1.00 0.00 C ATOM 394 CE LYS A 75 -4.352 1.046 6.905 1.00 0.00 C ATOM 395 NZ LYS A 75 -5.684 0.540 7.339 1.00 0.00 N ATOM 0 H LYS A 75 -5.448 0.295 2.308 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.645 2.920 3.629 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.242 0.562 3.941 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.067 1.476 3.017 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.610 1.976 5.338 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.390 3.404 4.687 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.743 3.143 6.552 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.619 2.067 5.481 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.785 0.272 6.388 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.753 1.364 7.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.556 -0.269 7.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.198 1.296 7.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.229 0.238 6.506 1.00 0.00 H new ATOM 409 N LEU A 76 -4.260 2.674 0.688 1.00 0.00 N ATOM 410 CA LEU A 76 -3.723 3.512 -0.427 1.00 0.00 C ATOM 411 C LEU A 76 -4.834 4.405 -0.980 1.00 0.00 C ATOM 412 O LEU A 76 -4.599 5.533 -1.374 1.00 0.00 O ATOM 413 CB LEU A 76 -3.251 2.516 -1.490 1.00 0.00 C ATOM 414 CG LEU A 76 -2.592 3.272 -2.645 1.00 0.00 C ATOM 415 CD1 LEU A 76 -1.313 3.952 -2.150 1.00 0.00 C ATOM 416 CD2 LEU A 76 -2.244 2.287 -3.762 1.00 0.00 C ATOM 0 H LEU A 76 -4.406 1.691 0.459 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.913 4.165 -0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.544 1.811 -1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.096 1.934 -1.858 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.280 4.028 -3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.845 4.490 -2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.559 4.653 -1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.623 3.198 -1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.774 2.823 -4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.556 1.533 -3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.154 1.802 -4.116 1.00 0.00 H new ATOM 428 N LEU A 77 -6.043 3.909 -0.999 1.00 0.00 N ATOM 429 CA LEU A 77 -7.185 4.725 -1.512 1.00 0.00 C ATOM 430 C LEU A 77 -7.515 5.830 -0.512 1.00 0.00 C ATOM 431 O LEU A 77 -7.852 6.938 -0.885 1.00 0.00 O ATOM 432 CB LEU A 77 -8.355 3.747 -1.642 1.00 0.00 C ATOM 433 CG LEU A 77 -9.166 4.082 -2.894 1.00 0.00 C ATOM 434 CD1 LEU A 77 -8.406 3.611 -4.136 1.00 0.00 C ATOM 435 CD2 LEU A 77 -10.521 3.374 -2.827 1.00 0.00 C ATOM 0 H LEU A 77 -6.290 2.972 -0.681 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.959 5.206 -2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.983 2.724 -1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.991 3.805 -0.758 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.320 5.160 -2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.984 3.850 -5.029 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.440 4.114 -4.184 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.252 2.533 -4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.100 3.612 -3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.366 2.296 -2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -11.063 3.709 -1.942 1.00 0.00 H new ATOM 447 N ALA A 78 -7.406 5.535 0.757 1.00 0.00 N ATOM 448 CA ALA A 78 -7.697 6.568 1.797 1.00 0.00 C ATOM 449 C ALA A 78 -6.662 7.690 1.705 1.00 0.00 C ATOM 450 O ALA A 78 -6.944 8.835 2.001 1.00 0.00 O ATOM 451 CB ALA A 78 -7.584 5.839 3.137 1.00 0.00 C ATOM 0 H ALA A 78 -7.128 4.623 1.119 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.681 7.020 1.672 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.786 6.537 3.949 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.308 5.025 3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.578 5.435 3.248 1.00 0.00 H new ATOM 457 N LEU A 79 -5.465 7.362 1.287 1.00 0.00 N ATOM 458 CA LEU A 79 -4.396 8.400 1.160 1.00 0.00 C ATOM 459 C LEU A 79 -4.820 9.460 0.140 1.00 0.00 C ATOM 460 O LEU A 79 -4.630 10.643 0.349 1.00 0.00 O ATOM 461 CB LEU A 79 -3.152 7.644 0.670 1.00 0.00 C ATOM 462 CG LEU A 79 -2.123 7.536 1.799 1.00 0.00 C ATOM 463 CD1 LEU A 79 -2.704 6.720 2.959 1.00 0.00 C ATOM 464 CD2 LEU A 79 -0.869 6.838 1.272 1.00 0.00 C ATOM 0 H LEU A 79 -5.181 6.417 1.027 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.206 8.916 2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.434 6.648 0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.714 8.163 -0.183 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.872 8.536 2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.966 6.647 3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.601 7.212 3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.959 5.720 2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.133 6.759 2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.129 5.840 0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.449 7.417 0.449 1.00 0.00 H new ATOM 476 N GLN A 80 -5.398 9.041 -0.958 1.00 0.00 N ATOM 477 CA GLN A 80 -5.844 10.022 -1.993 1.00 0.00 C ATOM 478 C GLN A 80 -7.001 10.859 -1.447 1.00 0.00 C ATOM 479 O GLN A 80 -7.172 12.009 -1.810 1.00 0.00 O ATOM 480 CB GLN A 80 -6.304 9.178 -3.184 1.00 0.00 C ATOM 481 CG GLN A 80 -6.311 10.039 -4.448 1.00 0.00 C ATOM 482 CD GLN A 80 -5.991 9.165 -5.663 1.00 0.00 C ATOM 483 OE1 GLN A 80 -6.866 8.847 -6.444 1.00 0.00 O ATOM 484 NE2 GLN A 80 -4.766 8.761 -5.855 1.00 0.00 N ATOM 0 H GLN A 80 -5.580 8.063 -1.182 1.00 0.00 H new ATOM 0 HA GLN A 80 -5.050 10.713 -2.277 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.639 8.324 -3.317 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -7.301 8.780 -2.997 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.285 10.512 -4.573 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -5.577 10.840 -4.359 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -4.032 9.028 -5.199 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -4.542 8.178 -6.661 1.00 0.00 H new ATOM 493 N GLU A 81 -7.790 10.290 -0.573 1.00 0.00 N ATOM 494 CA GLU A 81 -8.937 11.048 0.012 1.00 0.00 C ATOM 495 C GLU A 81 -8.412 12.170 0.908 1.00 0.00 C ATOM 496 O GLU A 81 -9.035 13.207 1.047 1.00 0.00 O ATOM 497 CB GLU A 81 -9.723 10.024 0.835 1.00 0.00 C ATOM 498 CG GLU A 81 -10.886 9.483 0.002 1.00 0.00 C ATOM 499 CD GLU A 81 -10.349 8.527 -1.065 1.00 0.00 C ATOM 500 OE1 GLU A 81 -9.652 8.992 -1.952 1.00 0.00 O ATOM 501 OE2 GLU A 81 -10.644 7.346 -0.978 1.00 0.00 O ATOM 0 H GLU A 81 -7.690 9.332 -0.238 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.561 11.510 -0.753 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.069 9.207 1.139 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.100 10.487 1.747 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.597 8.965 0.645 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -11.423 10.306 -0.469 1.00 0.00 H new ATOM 508 N GLU A 82 -7.268 11.970 1.511 1.00 0.00 N ATOM 509 CA GLU A 82 -6.690 13.026 2.397 1.00 0.00 C ATOM 510 C GLU A 82 -6.241 14.220 1.554 1.00 0.00 C ATOM 511 O GLU A 82 -6.573 15.354 1.844 1.00 0.00 O ATOM 512 CB GLU A 82 -5.489 12.369 3.086 1.00 0.00 C ATOM 513 CG GLU A 82 -5.863 11.985 4.520 1.00 0.00 C ATOM 514 CD GLU A 82 -4.594 11.645 5.305 1.00 0.00 C ATOM 515 OE1 GLU A 82 -3.907 10.718 4.908 1.00 0.00 O ATOM 516 OE2 GLU A 82 -4.332 12.317 6.288 1.00 0.00 O ATOM 0 H GLU A 82 -6.709 11.121 1.428 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.413 13.397 3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.179 11.483 2.531 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.641 13.054 3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.392 12.807 5.002 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.540 11.131 4.514 1.00 0.00 H new ATOM 523 N LYS A 83 -5.497 13.970 0.505 1.00 0.00 N ATOM 524 CA LYS A 83 -5.034 15.092 -0.369 1.00 0.00 C ATOM 525 C LYS A 83 -6.236 15.715 -1.079 1.00 0.00 C ATOM 526 O LYS A 83 -6.258 16.899 -1.360 1.00 0.00 O ATOM 527 CB LYS A 83 -4.080 14.453 -1.381 1.00 0.00 C ATOM 528 CG LYS A 83 -2.962 15.440 -1.721 1.00 0.00 C ATOM 529 CD LYS A 83 -2.020 14.811 -2.749 1.00 0.00 C ATOM 530 CE LYS A 83 -2.515 15.133 -4.161 1.00 0.00 C ATOM 531 NZ LYS A 83 -1.291 15.129 -5.008 1.00 0.00 N ATOM 0 H LYS A 83 -5.191 13.041 0.217 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.542 15.884 0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.658 13.536 -0.970 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.623 14.177 -2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.385 16.363 -2.117 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.409 15.704 -0.819 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.008 15.192 -2.611 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.976 13.731 -2.605 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.236 14.391 -4.505 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.014 16.101 -4.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.562 15.190 -6.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.695 15.944 -4.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.760 14.250 -4.846 1.00 0.00 H new ATOM 545 N HIS A 84 -7.237 14.922 -1.361 1.00 0.00 N ATOM 546 CA HIS A 84 -8.454 15.456 -2.046 1.00 0.00 C ATOM 547 C HIS A 84 -9.231 16.362 -1.089 1.00 0.00 C ATOM 548 O HIS A 84 -9.886 17.301 -1.503 1.00 0.00 O ATOM 549 CB HIS A 84 -9.284 14.224 -2.414 1.00 0.00 C ATOM 550 CG HIS A 84 -10.497 14.649 -3.197 1.00 0.00 C ATOM 551 ND1 HIS A 84 -11.771 14.199 -2.888 1.00 0.00 N ATOM 552 CD2 HIS A 84 -10.646 15.482 -4.278 1.00 0.00 C ATOM 553 CE1 HIS A 84 -12.624 14.758 -3.767 1.00 0.00 C ATOM 554 NE2 HIS A 84 -11.990 15.549 -4.636 1.00 0.00 N ATOM 0 H HIS A 84 -7.265 13.925 -1.146 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.208 16.051 -2.926 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.683 13.531 -3.003 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.588 13.695 -1.511 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -9.843 16.006 -4.775 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -13.690 14.587 -3.769 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -12.402 16.087 -5.399 1.00 0.00 H new ATOM 562 N GLN A 85 -9.158 16.088 0.188 1.00 0.00 N ATOM 563 CA GLN A 85 -9.886 16.932 1.184 1.00 0.00 C ATOM 564 C GLN A 85 -9.269 18.332 1.230 1.00 0.00 C ATOM 565 O GLN A 85 -9.943 19.308 1.504 1.00 0.00 O ATOM 566 CB GLN A 85 -9.705 16.222 2.528 1.00 0.00 C ATOM 567 CG GLN A 85 -10.532 16.936 3.598 1.00 0.00 C ATOM 568 CD GLN A 85 -11.988 16.477 3.510 1.00 0.00 C ATOM 569 OE1 GLN A 85 -12.262 15.296 3.425 1.00 0.00 O ATOM 570 NE2 GLN A 85 -12.943 17.368 3.526 1.00 0.00 N ATOM 0 H GLN A 85 -8.625 15.315 0.585 1.00 0.00 H new ATOM 0 HA GLN A 85 -10.940 17.051 0.931 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -10.018 15.181 2.446 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.652 16.217 2.810 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.131 16.719 4.588 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.471 18.015 3.459 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.714 18.359 3.597 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -13.917 17.072 3.467 1.00 0.00 H new ATOM 579 N LEU A 86 -7.993 18.435 0.956 1.00 0.00 N ATOM 580 CA LEU A 86 -7.322 19.771 0.976 1.00 0.00 C ATOM 581 C LEU A 86 -7.873 20.648 -0.150 1.00 0.00 C ATOM 582 O LEU A 86 -8.082 21.834 0.019 1.00 0.00 O ATOM 583 CB LEU A 86 -5.836 19.482 0.751 1.00 0.00 C ATOM 584 CG LEU A 86 -5.115 19.419 2.098 1.00 0.00 C ATOM 585 CD1 LEU A 86 -3.975 18.402 2.021 1.00 0.00 C ATOM 586 CD2 LEU A 86 -4.542 20.798 2.433 1.00 0.00 C ATOM 0 H LEU A 86 -7.386 17.650 0.719 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.491 20.303 1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.715 18.539 0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.395 20.259 0.127 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.820 19.117 2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.462 18.358 2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.380 17.419 1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.270 18.704 1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.028 20.755 3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.838 21.098 1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.352 21.525 2.488 1.00 0.00 H new ATOM 598 N PHE A 87 -8.110 20.067 -1.301 1.00 0.00 N ATOM 599 CA PHE A 87 -8.651 20.859 -2.449 1.00 0.00 C ATOM 600 C PHE A 87 -10.016 21.448 -2.086 1.00 0.00 C ATOM 601 O PHE A 87 -10.400 22.493 -2.575 1.00 0.00 O ATOM 602 CB PHE A 87 -8.791 19.858 -3.600 1.00 0.00 C ATOM 603 CG PHE A 87 -7.543 19.887 -4.450 1.00 0.00 C ATOM 604 CD1 PHE A 87 -7.373 20.891 -5.410 1.00 0.00 C ATOM 605 CD2 PHE A 87 -6.556 18.909 -4.278 1.00 0.00 C ATOM 606 CE1 PHE A 87 -6.216 20.918 -6.199 1.00 0.00 C ATOM 607 CE2 PHE A 87 -5.399 18.935 -5.066 1.00 0.00 C ATOM 608 CZ PHE A 87 -5.229 19.939 -6.027 1.00 0.00 C ATOM 0 H PHE A 87 -7.952 19.078 -1.495 1.00 0.00 H new ATOM 0 HA PHE A 87 -8.001 21.693 -2.714 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.951 18.855 -3.205 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -9.662 20.105 -4.207 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -8.134 21.645 -5.543 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.687 18.134 -3.537 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.085 21.693 -6.940 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.638 18.181 -4.933 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.337 19.959 -6.636 1.00 0.00 H new ATOM 618 N LEU A 88 -10.746 20.783 -1.228 1.00 0.00 N ATOM 619 CA LEU A 88 -12.090 21.297 -0.822 1.00 0.00 C ATOM 620 C LEU A 88 -11.937 22.548 0.048 1.00 0.00 C ATOM 621 O LEU A 88 -12.806 23.399 0.083 1.00 0.00 O ATOM 622 CB LEU A 88 -12.731 20.163 -0.019 1.00 0.00 C ATOM 623 CG LEU A 88 -14.228 20.104 -0.323 1.00 0.00 C ATOM 624 CD1 LEU A 88 -14.454 19.356 -1.638 1.00 0.00 C ATOM 625 CD2 LEU A 88 -14.949 19.369 0.810 1.00 0.00 C ATOM 0 H LEU A 88 -10.469 19.904 -0.790 1.00 0.00 H new ATOM 0 HA LEU A 88 -12.698 21.578 -1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -12.260 19.213 -0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -12.572 20.323 1.047 1.00 0.00 H new ATOM 0 HG LEU A 88 -14.621 21.117 -0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -15.522 19.314 -1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -13.940 19.877 -2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.061 18.343 -1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -16.017 19.326 0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.555 18.356 0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.789 19.901 1.748 1.00 0.00 H new ATOM 637 N GLN A 89 -10.838 22.663 0.749 1.00 0.00 N ATOM 638 CA GLN A 89 -10.619 23.857 1.622 1.00 0.00 C ATOM 639 C GLN A 89 -9.362 24.617 1.183 1.00 0.00 C ATOM 640 O GLN A 89 -8.726 25.286 1.975 1.00 0.00 O ATOM 641 CB GLN A 89 -10.448 23.298 3.039 1.00 0.00 C ATOM 642 CG GLN A 89 -9.279 22.304 3.078 1.00 0.00 C ATOM 643 CD GLN A 89 -8.540 22.434 4.412 1.00 0.00 C ATOM 644 OE1 GLN A 89 -9.110 22.858 5.397 1.00 0.00 O ATOM 645 NE2 GLN A 89 -7.285 22.082 4.485 1.00 0.00 N ATOM 0 H GLN A 89 -10.081 21.980 0.755 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.448 24.562 1.565 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -10.266 24.113 3.740 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -11.366 22.804 3.356 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.649 21.286 2.953 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.595 22.498 2.251 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -6.806 21.726 3.658 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -6.783 22.163 5.369 1.00 0.00 H new ATOM 654 N LEU A 90 -9.003 24.519 -0.073 1.00 0.00 N ATOM 655 CA LEU A 90 -7.787 25.238 -0.566 1.00 0.00 C ATOM 656 C LEU A 90 -7.982 26.752 -0.429 1.00 0.00 C ATOM 657 O LEU A 90 -7.580 27.290 0.589 1.00 0.00 O ATOM 658 CB LEU A 90 -7.653 24.841 -2.041 1.00 0.00 C ATOM 659 CG LEU A 90 -6.416 25.512 -2.646 1.00 0.00 C ATOM 660 CD1 LEU A 90 -5.152 24.840 -2.107 1.00 0.00 C ATOM 661 CD2 LEU A 90 -6.458 25.374 -4.170 1.00 0.00 C ATOM 662 OXT LEU A 90 -8.529 27.345 -1.344 1.00 0.00 O ATOM 0 H LEU A 90 -9.499 23.973 -0.778 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.894 24.978 0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.571 23.758 -2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.546 25.139 -2.590 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.407 26.568 -2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.273 25.319 -2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.122 24.938 -1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.159 23.784 -2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.579 25.851 -4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.468 24.318 -4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.358 25.855 -4.554 1.00 0.00 H new ATOM 675 N GLY B 166 -8.900 27.812 3.619 1.00 0.00 N ATOM 676 CA GLY B 166 -8.475 29.105 3.011 1.00 0.00 C ATOM 677 C GLY B 166 -7.596 29.871 4.001 1.00 0.00 C ATOM 678 O GLY B 166 -7.999 30.147 5.116 1.00 0.00 O ATOM 0 HA2 GLY B 166 -7.926 28.921 2.088 1.00 0.00 H new ATOM 0 HA3 GLY B 166 -9.350 29.700 2.749 1.00 0.00 H new ATOM 684 N LEU B 167 -6.398 30.215 3.601 1.00 0.00 N ATOM 685 CA LEU B 167 -5.481 30.968 4.518 1.00 0.00 C ATOM 686 C LEU B 167 -4.670 32.009 3.733 1.00 0.00 C ATOM 687 O LEU B 167 -4.972 33.187 3.771 1.00 0.00 O ATOM 688 CB LEU B 167 -4.549 29.932 5.198 1.00 0.00 C ATOM 689 CG LEU B 167 -4.240 28.728 4.282 1.00 0.00 C ATOM 690 CD1 LEU B 167 -2.758 28.359 4.399 1.00 0.00 C ATOM 691 CD2 LEU B 167 -5.096 27.530 4.705 1.00 0.00 C ATOM 0 H LEU B 167 -6.013 30.008 2.679 1.00 0.00 H new ATOM 0 HA LEU B 167 -6.051 31.510 5.272 1.00 0.00 H new ATOM 0 HB2 LEU B 167 -3.616 30.418 5.482 1.00 0.00 H new ATOM 0 HB3 LEU B 167 -5.015 29.576 6.117 1.00 0.00 H new ATOM 0 HG LEU B 167 -4.468 28.993 3.250 1.00 0.00 H new ATOM 0 HD11 LEU B 167 -2.542 27.509 3.752 1.00 0.00 H new ATOM 0 HD12 LEU B 167 -2.146 29.209 4.097 1.00 0.00 H new ATOM 0 HD13 LEU B 167 -2.529 28.096 5.432 1.00 0.00 H new ATOM 0 HD21 LEU B 167 -4.878 26.680 4.058 1.00 0.00 H new ATOM 0 HD22 LEU B 167 -4.869 27.267 5.738 1.00 0.00 H new ATOM 0 HD23 LEU B 167 -6.151 27.789 4.620 1.00 0.00 H new ATOM 703 N SER B 168 -3.645 31.594 3.025 1.00 0.00 N ATOM 704 CA SER B 168 -2.824 32.570 2.247 1.00 0.00 C ATOM 705 C SER B 168 -2.508 32.026 0.849 1.00 0.00 C ATOM 706 O SER B 168 -1.591 32.487 0.196 1.00 0.00 O ATOM 707 CB SER B 168 -1.538 32.732 3.056 1.00 0.00 C ATOM 708 OG SER B 168 -0.584 33.450 2.285 1.00 0.00 O ATOM 0 H SER B 168 -3.344 30.622 2.954 1.00 0.00 H new ATOM 0 HA SER B 168 -3.346 33.516 2.102 1.00 0.00 H new ATOM 0 HB2 SER B 168 -1.744 33.262 3.986 1.00 0.00 H new ATOM 0 HB3 SER B 168 -1.141 31.754 3.328 1.00 0.00 H new ATOM 0 HG SER B 168 -0.911 33.545 1.366 1.00 0.00 H new ATOM 714 N LYS B 169 -3.251 31.044 0.384 1.00 0.00 N ATOM 715 CA LYS B 169 -2.987 30.460 -0.974 1.00 0.00 C ATOM 716 C LYS B 169 -1.504 30.090 -1.123 1.00 0.00 C ATOM 717 O LYS B 169 -0.970 30.051 -2.215 1.00 0.00 O ATOM 718 CB LYS B 169 -3.371 31.555 -1.971 1.00 0.00 C ATOM 719 CG LYS B 169 -3.559 30.940 -3.361 1.00 0.00 C ATOM 720 CD LYS B 169 -4.757 29.988 -3.342 1.00 0.00 C ATOM 721 CE LYS B 169 -5.206 29.703 -4.777 1.00 0.00 C ATOM 722 NZ LYS B 169 -6.215 28.615 -4.655 1.00 0.00 N ATOM 0 H LYS B 169 -4.030 30.622 0.888 1.00 0.00 H new ATOM 0 HA LYS B 169 -3.557 29.546 -1.139 1.00 0.00 H new ATOM 0 HB2 LYS B 169 -4.291 32.046 -1.652 1.00 0.00 H new ATOM 0 HB3 LYS B 169 -2.596 32.321 -2.003 1.00 0.00 H new ATOM 0 HG2 LYS B 169 -3.718 31.726 -4.099 1.00 0.00 H new ATOM 0 HG3 LYS B 169 -2.658 30.402 -3.657 1.00 0.00 H new ATOM 0 HD2 LYS B 169 -4.488 29.057 -2.842 1.00 0.00 H new ATOM 0 HD3 LYS B 169 -5.576 30.429 -2.774 1.00 0.00 H new ATOM 0 HE2 LYS B 169 -5.637 30.591 -5.240 1.00 0.00 H new ATOM 0 HE3 LYS B 169 -4.366 29.395 -5.400 1.00 0.00 H new ATOM 0 HZ1 LYS B 169 -5.973 27.843 -5.308 1.00 0.00 H new ATOM 0 HZ2 LYS B 169 -6.220 28.254 -3.680 1.00 0.00 H new ATOM 0 HZ3 LYS B 169 -7.157 28.987 -4.892 1.00 0.00 H new ATOM 736 N GLU B 170 -0.845 29.821 -0.026 1.00 0.00 N ATOM 737 CA GLU B 170 0.597 29.453 -0.077 1.00 0.00 C ATOM 738 C GLU B 170 0.913 28.483 1.059 1.00 0.00 C ATOM 739 O GLU B 170 1.551 27.467 0.857 1.00 0.00 O ATOM 740 CB GLU B 170 1.352 30.770 0.109 1.00 0.00 C ATOM 741 CG GLU B 170 1.474 31.483 -1.240 1.00 0.00 C ATOM 742 CD GLU B 170 2.390 32.700 -1.093 1.00 0.00 C ATOM 743 OE1 GLU B 170 3.555 32.507 -0.784 1.00 0.00 O ATOM 744 OE2 GLU B 170 1.910 33.804 -1.291 1.00 0.00 O ATOM 0 H GLU B 170 -1.250 29.841 0.910 1.00 0.00 H new ATOM 0 HA GLU B 170 0.875 28.963 -1.010 1.00 0.00 H new ATOM 0 HB2 GLU B 170 0.826 31.405 0.822 1.00 0.00 H new ATOM 0 HB3 GLU B 170 2.342 30.579 0.522 1.00 0.00 H new ATOM 0 HG2 GLU B 170 1.876 30.801 -1.989 1.00 0.00 H new ATOM 0 HG3 GLU B 170 0.490 31.795 -1.589 1.00 0.00 H new ATOM 751 N GLU B 171 0.460 28.785 2.250 1.00 0.00 N ATOM 752 CA GLU B 171 0.721 27.872 3.400 1.00 0.00 C ATOM 753 C GLU B 171 -0.059 26.573 3.198 1.00 0.00 C ATOM 754 O GLU B 171 0.383 25.506 3.580 1.00 0.00 O ATOM 755 CB GLU B 171 0.227 28.619 4.642 1.00 0.00 C ATOM 756 CG GLU B 171 1.421 29.217 5.391 1.00 0.00 C ATOM 757 CD GLU B 171 2.003 28.170 6.341 1.00 0.00 C ATOM 758 OE1 GLU B 171 2.275 27.071 5.886 1.00 0.00 O ATOM 759 OE2 GLU B 171 2.171 28.485 7.507 1.00 0.00 O ATOM 0 H GLU B 171 -0.078 29.622 2.473 1.00 0.00 H new ATOM 0 HA GLU B 171 1.775 27.610 3.496 1.00 0.00 H new ATOM 0 HB2 GLU B 171 -0.466 29.409 4.352 1.00 0.00 H new ATOM 0 HB3 GLU B 171 -0.320 27.939 5.294 1.00 0.00 H new ATOM 0 HG2 GLU B 171 2.182 29.544 4.682 1.00 0.00 H new ATOM 0 HG3 GLU B 171 1.108 30.098 5.951 1.00 0.00 H new ATOM 766 N LEU B 172 -1.206 26.662 2.579 1.00 0.00 N ATOM 767 CA LEU B 172 -2.018 25.439 2.320 1.00 0.00 C ATOM 768 C LEU B 172 -1.440 24.700 1.113 1.00 0.00 C ATOM 769 O LEU B 172 -1.528 23.491 1.010 1.00 0.00 O ATOM 770 CB LEU B 172 -3.429 25.947 2.016 1.00 0.00 C ATOM 771 CG LEU B 172 -4.445 24.851 2.340 1.00 0.00 C ATOM 772 CD1 LEU B 172 -5.857 25.437 2.306 1.00 0.00 C ATOM 773 CD2 LEU B 172 -4.333 23.731 1.304 1.00 0.00 C ATOM 0 H LEU B 172 -1.616 27.532 2.241 1.00 0.00 H new ATOM 0 HA LEU B 172 -2.019 24.747 3.162 1.00 0.00 H new ATOM 0 HB2 LEU B 172 -3.641 26.840 2.605 1.00 0.00 H new ATOM 0 HB3 LEU B 172 -3.507 26.231 0.967 1.00 0.00 H new ATOM 0 HG LEU B 172 -4.243 24.450 3.333 1.00 0.00 H new ATOM 0 HD11 LEU B 172 -6.581 24.656 2.537 1.00 0.00 H new ATOM 0 HD12 LEU B 172 -5.937 26.236 3.044 1.00 0.00 H new ATOM 0 HD13 LEU B 172 -6.061 25.838 1.313 1.00 0.00 H new ATOM 0 HD21 LEU B 172 -5.057 22.949 1.534 1.00 0.00 H new ATOM 0 HD22 LEU B 172 -4.535 24.132 0.311 1.00 0.00 H new ATOM 0 HD23 LEU B 172 -3.327 23.312 1.328 1.00 0.00 H new ATOM 785 N ILE B 173 -0.835 25.427 0.205 1.00 0.00 N ATOM 786 CA ILE B 173 -0.229 24.781 -0.997 1.00 0.00 C ATOM 787 C ILE B 173 0.981 23.950 -0.571 1.00 0.00 C ATOM 788 O ILE B 173 1.298 22.944 -1.177 1.00 0.00 O ATOM 789 CB ILE B 173 0.205 25.937 -1.911 1.00 0.00 C ATOM 790 CG1 ILE B 173 -1.006 26.823 -2.259 1.00 0.00 C ATOM 791 CG2 ILE B 173 0.816 25.374 -3.197 1.00 0.00 C ATOM 792 CD1 ILE B 173 -2.082 26.001 -2.980 1.00 0.00 C ATOM 0 H ILE B 173 -0.736 26.441 0.246 1.00 0.00 H new ATOM 0 HA ILE B 173 -0.924 24.113 -1.506 1.00 0.00 H new ATOM 0 HB ILE B 173 0.947 26.541 -1.389 1.00 0.00 H new ATOM 0 HG12 ILE B 173 -1.420 27.257 -1.349 1.00 0.00 H new ATOM 0 HG13 ILE B 173 -0.688 27.652 -2.892 1.00 0.00 H new ATOM 0 HG21 ILE B 173 1.123 26.196 -3.844 1.00 0.00 H new ATOM 0 HG22 ILE B 173 1.684 24.763 -2.950 1.00 0.00 H new ATOM 0 HG23 ILE B 173 0.076 24.762 -3.714 1.00 0.00 H new ATOM 0 HD11 ILE B 173 -2.931 26.642 -3.219 1.00 0.00 H new ATOM 0 HD12 ILE B 173 -1.669 25.588 -3.900 1.00 0.00 H new ATOM 0 HD13 ILE B 173 -2.412 25.188 -2.334 1.00 0.00 H new ATOM 804 N GLN B 174 1.655 24.363 0.475 1.00 0.00 N ATOM 805 CA GLN B 174 2.845 23.597 0.953 1.00 0.00 C ATOM 806 C GLN B 174 2.391 22.298 1.621 1.00 0.00 C ATOM 807 O GLN B 174 3.082 21.298 1.587 1.00 0.00 O ATOM 808 CB GLN B 174 3.536 24.512 1.967 1.00 0.00 C ATOM 809 CG GLN B 174 4.907 23.935 2.324 1.00 0.00 C ATOM 810 CD GLN B 174 5.278 24.347 3.750 1.00 0.00 C ATOM 811 OE1 GLN B 174 5.772 25.435 3.971 1.00 0.00 O ATOM 812 NE2 GLN B 174 5.061 23.518 4.734 1.00 0.00 N ATOM 0 H GLN B 174 1.431 25.197 1.017 1.00 0.00 H new ATOM 0 HA GLN B 174 3.516 23.324 0.139 1.00 0.00 H new ATOM 0 HB2 GLN B 174 3.648 25.514 1.552 1.00 0.00 H new ATOM 0 HB3 GLN B 174 2.924 24.606 2.864 1.00 0.00 H new ATOM 0 HG2 GLN B 174 4.889 22.848 2.241 1.00 0.00 H new ATOM 0 HG3 GLN B 174 5.659 24.296 1.622 1.00 0.00 H new ATOM 0 HE21 GLN B 174 4.646 22.605 4.549 1.00 0.00 H new ATOM 0 HE22 GLN B 174 5.306 23.783 5.688 1.00 0.00 H new ATOM 821 N ASN B 175 1.228 22.308 2.220 1.00 0.00 N ATOM 822 CA ASN B 175 0.712 21.076 2.886 1.00 0.00 C ATOM 823 C ASN B 175 0.235 20.079 1.828 1.00 0.00 C ATOM 824 O ASN B 175 0.316 18.879 2.010 1.00 0.00 O ATOM 825 CB ASN B 175 -0.460 21.543 3.752 1.00 0.00 C ATOM 826 CG ASN B 175 0.065 22.396 4.909 1.00 0.00 C ATOM 827 OD1 ASN B 175 1.202 22.261 5.312 1.00 0.00 O ATOM 828 ND2 ASN B 175 -0.724 23.276 5.463 1.00 0.00 N ATOM 0 H ASN B 175 0.612 23.119 2.276 1.00 0.00 H new ATOM 0 HA ASN B 175 1.475 20.576 3.482 1.00 0.00 H new ATOM 0 HB2 ASN B 175 -1.162 22.120 3.151 1.00 0.00 H new ATOM 0 HB3 ASN B 175 -1.005 20.682 4.140 1.00 0.00 H new ATOM 0 HD21 ASN B 175 -0.385 23.850 6.235 1.00 0.00 H new ATOM 0 HD22 ASN B 175 -1.679 23.389 5.124 1.00 0.00 H new ATOM 835 N MET B 176 -0.257 20.576 0.723 1.00 0.00 N ATOM 836 CA MET B 176 -0.740 19.668 -0.363 1.00 0.00 C ATOM 837 C MET B 176 0.449 18.965 -1.020 1.00 0.00 C ATOM 838 O MET B 176 0.340 17.847 -1.486 1.00 0.00 O ATOM 839 CB MET B 176 -1.446 20.582 -1.369 1.00 0.00 C ATOM 840 CG MET B 176 -2.961 20.493 -1.171 1.00 0.00 C ATOM 841 SD MET B 176 -3.792 20.831 -2.744 1.00 0.00 S ATOM 842 CE MET B 176 -5.248 21.654 -2.054 1.00 0.00 C ATOM 0 H MET B 176 -0.346 21.573 0.524 1.00 0.00 H new ATOM 0 HA MET B 176 -1.407 18.892 0.013 1.00 0.00 H new ATOM 0 HB2 MET B 176 -1.112 21.611 -1.237 1.00 0.00 H new ATOM 0 HB3 MET B 176 -1.185 20.290 -2.386 1.00 0.00 H new ATOM 0 HG2 MET B 176 -3.234 19.502 -0.808 1.00 0.00 H new ATOM 0 HG3 MET B 176 -3.283 21.209 -0.415 1.00 0.00 H new ATOM 0 HE1 MET B 176 -5.726 22.256 -2.827 1.00 0.00 H new ATOM 0 HE2 MET B 176 -5.952 20.905 -1.691 1.00 0.00 H new ATOM 0 HE3 MET B 176 -4.945 22.298 -1.228 1.00 0.00 H new ATOM 852 N ASP B 177 1.584 19.615 -1.054 1.00 0.00 N ATOM 853 CA ASP B 177 2.792 18.992 -1.674 1.00 0.00 C ATOM 854 C ASP B 177 3.392 17.959 -0.720 1.00 0.00 C ATOM 855 O ASP B 177 3.967 16.973 -1.139 1.00 0.00 O ATOM 856 CB ASP B 177 3.768 20.146 -1.903 1.00 0.00 C ATOM 857 CG ASP B 177 4.848 19.712 -2.895 1.00 0.00 C ATOM 858 OD1 ASP B 177 5.777 19.041 -2.474 1.00 0.00 O ATOM 859 OD2 ASP B 177 4.730 20.059 -4.059 1.00 0.00 O ATOM 0 H ASP B 177 1.727 20.552 -0.678 1.00 0.00 H new ATOM 0 HA ASP B 177 2.559 18.473 -2.604 1.00 0.00 H new ATOM 0 HB2 ASP B 177 3.235 21.016 -2.287 1.00 0.00 H new ATOM 0 HB3 ASP B 177 4.225 20.443 -0.959 1.00 0.00 H new ATOM 864 N ARG B 178 3.253 18.180 0.562 1.00 0.00 N ATOM 865 CA ARG B 178 3.806 17.213 1.558 1.00 0.00 C ATOM 866 C ARG B 178 2.902 15.981 1.639 1.00 0.00 C ATOM 867 O ARG B 178 3.355 14.886 1.916 1.00 0.00 O ATOM 868 CB ARG B 178 3.811 17.969 2.891 1.00 0.00 C ATOM 869 CG ARG B 178 5.119 17.686 3.643 1.00 0.00 C ATOM 870 CD ARG B 178 6.074 18.872 3.478 1.00 0.00 C ATOM 871 NE ARG B 178 6.658 18.711 2.118 1.00 0.00 N ATOM 872 CZ ARG B 178 7.936 18.898 1.930 1.00 0.00 C ATOM 873 NH1 ARG B 178 8.534 19.916 2.485 1.00 0.00 N ATOM 874 NH2 ARG B 178 8.615 18.065 1.190 1.00 0.00 N ATOM 0 H ARG B 178 2.780 18.990 0.963 1.00 0.00 H new ATOM 0 HA ARG B 178 4.803 16.864 1.291 1.00 0.00 H new ATOM 0 HB2 ARG B 178 3.707 19.039 2.713 1.00 0.00 H new ATOM 0 HB3 ARG B 178 2.958 17.662 3.497 1.00 0.00 H new ATOM 0 HG2 ARG B 178 4.913 17.516 4.700 1.00 0.00 H new ATOM 0 HG3 ARG B 178 5.582 16.777 3.258 1.00 0.00 H new ATOM 0 HD2 ARG B 178 5.545 19.820 3.570 1.00 0.00 H new ATOM 0 HD3 ARG B 178 6.849 18.864 4.244 1.00 0.00 H new ATOM 0 HE ARG B 178 6.059 18.455 1.333 1.00 0.00 H new ATOM 0 HH11 ARG B 178 8.003 20.565 3.065 1.00 0.00 H new ATOM 0 HH12 ARG B 178 9.533 20.063 2.339 1.00 0.00 H new ATOM 0 HH21 ARG B 178 8.147 17.268 0.759 1.00 0.00 H new ATOM 0 HH22 ARG B 178 9.614 18.211 1.043 1.00 0.00 H new ATOM 888 N VAL B 179 1.629 16.154 1.394 1.00 0.00 N ATOM 889 CA VAL B 179 0.686 14.998 1.447 1.00 0.00 C ATOM 890 C VAL B 179 0.878 14.114 0.210 1.00 0.00 C ATOM 891 O VAL B 179 0.643 12.922 0.250 1.00 0.00 O ATOM 892 CB VAL B 179 -0.718 15.618 1.461 1.00 0.00 C ATOM 893 CG1 VAL B 179 -1.775 14.510 1.498 1.00 0.00 C ATOM 894 CG2 VAL B 179 -0.873 16.505 2.700 1.00 0.00 C ATOM 0 H VAL B 179 1.201 17.049 1.159 1.00 0.00 H new ATOM 0 HA VAL B 179 0.851 14.368 2.321 1.00 0.00 H new ATOM 0 HB VAL B 179 -0.853 16.217 0.560 1.00 0.00 H new ATOM 0 HG11 VAL B 179 -2.770 14.956 1.508 1.00 0.00 H new ATOM 0 HG12 VAL B 179 -1.670 13.877 0.617 1.00 0.00 H new ATOM 0 HG13 VAL B 179 -1.639 13.907 2.396 1.00 0.00 H new ATOM 0 HG21 VAL B 179 -1.870 16.945 2.710 1.00 0.00 H new ATOM 0 HG22 VAL B 179 -0.733 15.903 3.598 1.00 0.00 H new ATOM 0 HG23 VAL B 179 -0.126 17.299 2.675 1.00 0.00 H new ATOM 904 N ASP B 180 1.306 14.693 -0.884 1.00 0.00 N ATOM 905 CA ASP B 180 1.518 13.888 -2.125 1.00 0.00 C ATOM 906 C ASP B 180 2.788 13.048 -1.994 1.00 0.00 C ATOM 907 O ASP B 180 2.849 11.923 -2.454 1.00 0.00 O ATOM 908 CB ASP B 180 1.665 14.914 -3.252 1.00 0.00 C ATOM 909 CG ASP B 180 1.662 14.195 -4.601 1.00 0.00 C ATOM 910 OD1 ASP B 180 0.767 13.396 -4.823 1.00 0.00 O ATOM 911 OD2 ASP B 180 2.555 14.455 -5.390 1.00 0.00 O ATOM 0 H ASP B 180 1.517 15.687 -0.971 1.00 0.00 H new ATOM 0 HA ASP B 180 0.696 13.198 -2.314 1.00 0.00 H new ATOM 0 HB2 ASP B 180 0.848 15.635 -3.210 1.00 0.00 H new ATOM 0 HB3 ASP B 180 2.592 15.475 -3.129 1.00 0.00 H new ATOM 916 N ARG B 181 3.799 13.587 -1.363 1.00 0.00 N ATOM 917 CA ARG B 181 5.071 12.824 -1.189 1.00 0.00 C ATOM 918 C ARG B 181 4.860 11.673 -0.199 1.00 0.00 C ATOM 919 O ARG B 181 5.547 10.670 -0.249 1.00 0.00 O ATOM 920 CB ARG B 181 6.076 13.834 -0.631 1.00 0.00 C ATOM 921 CG ARG B 181 6.910 14.412 -1.778 1.00 0.00 C ATOM 922 CD ARG B 181 7.503 15.757 -1.352 1.00 0.00 C ATOM 923 NE ARG B 181 8.504 16.085 -2.404 1.00 0.00 N ATOM 924 CZ ARG B 181 8.282 17.070 -3.231 1.00 0.00 C ATOM 925 NH1 ARG B 181 7.589 16.865 -4.318 1.00 0.00 N ATOM 926 NH2 ARG B 181 8.753 18.259 -2.972 1.00 0.00 N ATOM 0 H ARG B 181 3.799 14.524 -0.960 1.00 0.00 H new ATOM 0 HA ARG B 181 5.419 12.385 -2.124 1.00 0.00 H new ATOM 0 HB2 ARG B 181 5.552 14.635 -0.109 1.00 0.00 H new ATOM 0 HB3 ARG B 181 6.726 13.351 0.098 1.00 0.00 H new ATOM 0 HG2 ARG B 181 7.708 13.720 -2.046 1.00 0.00 H new ATOM 0 HG3 ARG B 181 6.289 14.541 -2.664 1.00 0.00 H new ATOM 0 HD2 ARG B 181 6.733 16.525 -1.286 1.00 0.00 H new ATOM 0 HD3 ARG B 181 7.970 15.689 -0.370 1.00 0.00 H new ATOM 0 HE ARG B 181 9.363 15.540 -2.478 1.00 0.00 H new ATOM 0 HH11 ARG B 181 7.221 15.935 -4.521 1.00 0.00 H new ATOM 0 HH12 ARG B 181 7.415 17.634 -4.965 1.00 0.00 H new ATOM 0 HH21 ARG B 181 9.295 18.419 -2.123 1.00 0.00 H new ATOM 0 HH22 ARG B 181 8.579 19.028 -3.619 1.00 0.00 H new ATOM 940 N GLU B 182 3.913 11.811 0.697 1.00 0.00 N ATOM 941 CA GLU B 182 3.652 10.726 1.690 1.00 0.00 C ATOM 942 C GLU B 182 2.971 9.540 1.007 1.00 0.00 C ATOM 943 O GLU B 182 3.224 8.396 1.335 1.00 0.00 O ATOM 944 CB GLU B 182 2.725 11.349 2.736 1.00 0.00 C ATOM 945 CG GLU B 182 3.010 10.732 4.106 1.00 0.00 C ATOM 946 CD GLU B 182 2.064 11.335 5.145 1.00 0.00 C ATOM 947 OE1 GLU B 182 2.299 12.463 5.547 1.00 0.00 O ATOM 948 OE2 GLU B 182 1.120 10.660 5.521 1.00 0.00 O ATOM 0 H GLU B 182 3.310 12.629 0.782 1.00 0.00 H new ATOM 0 HA GLU B 182 4.572 10.351 2.139 1.00 0.00 H new ATOM 0 HB2 GLU B 182 2.875 12.428 2.773 1.00 0.00 H new ATOM 0 HB3 GLU B 182 1.684 11.182 2.460 1.00 0.00 H new ATOM 0 HG2 GLU B 182 2.879 9.651 4.064 1.00 0.00 H new ATOM 0 HG3 GLU B 182 4.046 10.917 4.391 1.00 0.00 H new ATOM 955 N ILE B 183 2.112 9.806 0.057 1.00 0.00 N ATOM 956 CA ILE B 183 1.411 8.695 -0.656 1.00 0.00 C ATOM 957 C ILE B 183 2.416 7.902 -1.502 1.00 0.00 C ATOM 958 O ILE B 183 2.238 6.724 -1.747 1.00 0.00 O ATOM 959 CB ILE B 183 0.360 9.375 -1.542 1.00 0.00 C ATOM 960 CG1 ILE B 183 -0.624 10.145 -0.655 1.00 0.00 C ATOM 961 CG2 ILE B 183 -0.405 8.317 -2.345 1.00 0.00 C ATOM 962 CD1 ILE B 183 -1.595 10.941 -1.530 1.00 0.00 C ATOM 0 H ILE B 183 1.865 10.745 -0.256 1.00 0.00 H new ATOM 0 HA ILE B 183 0.948 7.988 0.032 1.00 0.00 H new ATOM 0 HB ILE B 183 0.855 10.061 -2.229 1.00 0.00 H new ATOM 0 HG12 ILE B 183 -1.176 9.451 -0.021 1.00 0.00 H new ATOM 0 HG13 ILE B 183 -0.081 10.819 0.007 1.00 0.00 H new ATOM 0 HG21 ILE B 183 -1.150 8.805 -2.973 1.00 0.00 H new ATOM 0 HG22 ILE B 183 0.292 7.763 -2.974 1.00 0.00 H new ATOM 0 HG23 ILE B 183 -0.901 7.629 -1.660 1.00 0.00 H new ATOM 0 HD11 ILE B 183 -2.293 11.487 -0.895 1.00 0.00 H new ATOM 0 HD12 ILE B 183 -1.036 11.646 -2.145 1.00 0.00 H new ATOM 0 HD13 ILE B 183 -2.149 10.258 -2.174 1.00 0.00 H new ATOM 974 N THR B 184 3.471 8.541 -1.940 1.00 0.00 N ATOM 975 CA THR B 184 4.495 7.828 -2.764 1.00 0.00 C ATOM 976 C THR B 184 5.224 6.793 -1.903 1.00 0.00 C ATOM 977 O THR B 184 5.590 5.731 -2.371 1.00 0.00 O ATOM 978 CB THR B 184 5.466 8.913 -3.236 1.00 0.00 C ATOM 979 OG1 THR B 184 4.728 10.031 -3.709 1.00 0.00 O ATOM 980 CG2 THR B 184 6.341 8.362 -4.362 1.00 0.00 C ATOM 0 H THR B 184 3.668 9.526 -1.763 1.00 0.00 H new ATOM 0 HA THR B 184 4.050 7.296 -3.605 1.00 0.00 H new ATOM 0 HB THR B 184 6.101 9.221 -2.405 1.00 0.00 H new ATOM 0 HG1 THR B 184 5.347 10.728 -4.010 1.00 0.00 H new ATOM 0 HG21 THR B 184 7.032 9.135 -4.697 1.00 0.00 H new ATOM 0 HG22 THR B 184 6.906 7.504 -3.997 1.00 0.00 H new ATOM 0 HG23 THR B 184 5.710 8.053 -5.195 1.00 0.00 H new ATOM 988 N MET B 185 5.427 7.095 -0.644 1.00 0.00 N ATOM 989 CA MET B 185 6.124 6.128 0.257 1.00 0.00 C ATOM 990 C MET B 185 5.185 4.967 0.595 1.00 0.00 C ATOM 991 O MET B 185 5.600 3.827 0.680 1.00 0.00 O ATOM 992 CB MET B 185 6.468 6.925 1.517 1.00 0.00 C ATOM 993 CG MET B 185 7.867 7.528 1.373 1.00 0.00 C ATOM 994 SD MET B 185 8.610 7.727 3.011 1.00 0.00 S ATOM 995 CE MET B 185 8.622 9.537 3.036 1.00 0.00 C ATOM 0 H MET B 185 5.140 7.969 -0.203 1.00 0.00 H new ATOM 0 HA MET B 185 7.015 5.701 -0.203 1.00 0.00 H new ATOM 0 HB2 MET B 185 5.734 7.716 1.672 1.00 0.00 H new ATOM 0 HB3 MET B 185 6.428 6.277 2.392 1.00 0.00 H new ATOM 0 HG2 MET B 185 8.491 6.882 0.755 1.00 0.00 H new ATOM 0 HG3 MET B 185 7.809 8.493 0.869 1.00 0.00 H new ATOM 0 HE1 MET B 185 9.049 9.885 3.977 1.00 0.00 H new ATOM 0 HE2 MET B 185 9.223 9.908 2.206 1.00 0.00 H new ATOM 0 HE3 MET B 185 7.602 9.909 2.941 1.00 0.00 H new ATOM 1005 N VAL B 186 3.921 5.253 0.778 1.00 0.00 N ATOM 1006 CA VAL B 186 2.942 4.171 1.100 1.00 0.00 C ATOM 1007 C VAL B 186 2.673 3.332 -0.152 1.00 0.00 C ATOM 1008 O VAL B 186 2.396 2.150 -0.072 1.00 0.00 O ATOM 1009 CB VAL B 186 1.669 4.894 1.554 1.00 0.00 C ATOM 1010 CG1 VAL B 186 0.595 3.867 1.922 1.00 0.00 C ATOM 1011 CG2 VAL B 186 1.978 5.761 2.778 1.00 0.00 C ATOM 0 H VAL B 186 3.524 6.191 0.718 1.00 0.00 H new ATOM 0 HA VAL B 186 3.309 3.494 1.871 1.00 0.00 H new ATOM 0 HB VAL B 186 1.307 5.524 0.741 1.00 0.00 H new ATOM 0 HG11 VAL B 186 -0.308 4.385 2.244 1.00 0.00 H new ATOM 0 HG12 VAL B 186 0.369 3.250 1.053 1.00 0.00 H new ATOM 0 HG13 VAL B 186 0.959 3.234 2.732 1.00 0.00 H new ATOM 0 HG21 VAL B 186 1.071 6.274 3.099 1.00 0.00 H new ATOM 0 HG22 VAL B 186 2.344 5.130 3.588 1.00 0.00 H new ATOM 0 HG23 VAL B 186 2.739 6.497 2.520 1.00 0.00 H new ATOM 1021 N GLU B 187 2.759 3.940 -1.309 1.00 0.00 N ATOM 1022 CA GLU B 187 2.516 3.187 -2.577 1.00 0.00 C ATOM 1023 C GLU B 187 3.712 2.285 -2.887 1.00 0.00 C ATOM 1024 O GLU B 187 3.572 1.243 -3.498 1.00 0.00 O ATOM 1025 CB GLU B 187 2.358 4.260 -3.656 1.00 0.00 C ATOM 1026 CG GLU B 187 1.930 3.604 -4.971 1.00 0.00 C ATOM 1027 CD GLU B 187 2.436 4.441 -6.148 1.00 0.00 C ATOM 1028 OE1 GLU B 187 1.731 5.354 -6.545 1.00 0.00 O ATOM 1029 OE2 GLU B 187 3.518 4.154 -6.631 1.00 0.00 O ATOM 0 H GLU B 187 2.987 4.927 -1.430 1.00 0.00 H new ATOM 0 HA GLU B 187 1.638 2.544 -2.515 1.00 0.00 H new ATOM 0 HB2 GLU B 187 1.616 4.996 -3.346 1.00 0.00 H new ATOM 0 HB3 GLU B 187 3.298 4.794 -3.793 1.00 0.00 H new ATOM 0 HG2 GLU B 187 2.330 2.592 -5.032 1.00 0.00 H new ATOM 0 HG3 GLU B 187 0.844 3.520 -5.011 1.00 0.00 H new ATOM 1036 N GLN B 188 4.886 2.680 -2.462 1.00 0.00 N ATOM 1037 CA GLN B 188 6.100 1.849 -2.724 1.00 0.00 C ATOM 1038 C GLN B 188 6.090 0.613 -1.824 1.00 0.00 C ATOM 1039 O GLN B 188 6.592 -0.434 -2.188 1.00 0.00 O ATOM 1040 CB GLN B 188 7.288 2.751 -2.383 1.00 0.00 C ATOM 1041 CG GLN B 188 8.500 2.345 -3.225 1.00 0.00 C ATOM 1042 CD GLN B 188 8.573 3.219 -4.479 1.00 0.00 C ATOM 1043 OE1 GLN B 188 9.643 3.622 -4.890 1.00 0.00 O ATOM 1044 NE2 GLN B 188 7.473 3.534 -5.107 1.00 0.00 N ATOM 0 H GLN B 188 5.056 3.543 -1.945 1.00 0.00 H new ATOM 0 HA GLN B 188 6.144 1.497 -3.755 1.00 0.00 H new ATOM 0 HB2 GLN B 188 7.033 3.793 -2.574 1.00 0.00 H new ATOM 0 HB3 GLN B 188 7.526 2.670 -1.322 1.00 0.00 H new ATOM 0 HG2 GLN B 188 9.414 2.454 -2.641 1.00 0.00 H new ATOM 0 HG3 GLN B 188 8.424 1.295 -3.506 1.00 0.00 H new ATOM 0 HE21 GLN B 188 6.574 3.196 -4.763 1.00 0.00 H new ATOM 0 HE22 GLN B 188 7.512 4.118 -5.942 1.00 0.00 H new ATOM 1053 N GLN B 189 5.519 0.729 -0.654 1.00 0.00 N ATOM 1054 CA GLN B 189 5.469 -0.437 0.279 1.00 0.00 C ATOM 1055 C GLN B 189 4.490 -1.487 -0.250 1.00 0.00 C ATOM 1056 O GLN B 189 4.679 -2.674 -0.062 1.00 0.00 O ATOM 1057 CB GLN B 189 4.977 0.135 1.613 1.00 0.00 C ATOM 1058 CG GLN B 189 5.795 -0.460 2.763 1.00 0.00 C ATOM 1059 CD GLN B 189 6.939 0.489 3.123 1.00 0.00 C ATOM 1060 OE1 GLN B 189 7.232 0.693 4.285 1.00 0.00 O ATOM 1061 NE2 GLN B 189 7.605 1.083 2.170 1.00 0.00 N ATOM 0 H GLN B 189 5.084 1.582 -0.303 1.00 0.00 H new ATOM 0 HA GLN B 189 6.438 -0.925 0.383 1.00 0.00 H new ATOM 0 HB2 GLN B 189 5.071 1.221 1.611 1.00 0.00 H new ATOM 0 HB3 GLN B 189 3.920 -0.093 1.750 1.00 0.00 H new ATOM 0 HG2 GLN B 189 5.156 -0.622 3.631 1.00 0.00 H new ATOM 0 HG3 GLN B 189 6.193 -1.433 2.474 1.00 0.00 H new ATOM 0 HE21 GLN B 189 7.360 0.913 1.194 1.00 0.00 H new ATOM 0 HE22 GLN B 189 8.370 1.717 2.401 1.00 0.00 H new ATOM 1070 N ILE B 190 3.447 -1.056 -0.915 1.00 0.00 N ATOM 1071 CA ILE B 190 2.450 -2.025 -1.465 1.00 0.00 C ATOM 1072 C ILE B 190 3.026 -2.711 -2.705 1.00 0.00 C ATOM 1073 O ILE B 190 2.719 -3.852 -2.993 1.00 0.00 O ATOM 1074 CB ILE B 190 1.221 -1.182 -1.825 1.00 0.00 C ATOM 1075 CG1 ILE B 190 0.700 -0.482 -0.564 1.00 0.00 C ATOM 1076 CG2 ILE B 190 0.125 -2.089 -2.392 1.00 0.00 C ATOM 1077 CD1 ILE B 190 -0.456 0.452 -0.930 1.00 0.00 C ATOM 0 H ILE B 190 3.243 -0.074 -1.101 1.00 0.00 H new ATOM 0 HA ILE B 190 2.196 -2.811 -0.754 1.00 0.00 H new ATOM 0 HB ILE B 190 1.497 -0.437 -2.571 1.00 0.00 H new ATOM 0 HG12 ILE B 190 0.365 -1.223 0.162 1.00 0.00 H new ATOM 0 HG13 ILE B 190 1.503 0.085 -0.094 1.00 0.00 H new ATOM 0 HG21 ILE B 190 -0.748 -1.489 -2.647 1.00 0.00 H new ATOM 0 HG22 ILE B 190 0.495 -2.591 -3.286 1.00 0.00 H new ATOM 0 HG23 ILE B 190 -0.153 -2.834 -1.646 1.00 0.00 H new ATOM 0 HD11 ILE B 190 -0.823 0.947 -0.031 1.00 0.00 H new ATOM 0 HD12 ILE B 190 -0.107 1.202 -1.640 1.00 0.00 H new ATOM 0 HD13 ILE B 190 -1.263 -0.127 -1.380 1.00 0.00 H new ATOM 1089 N SER B 191 3.868 -2.022 -3.433 1.00 0.00 N ATOM 1090 CA SER B 191 4.481 -2.629 -4.652 1.00 0.00 C ATOM 1091 C SER B 191 5.568 -3.621 -4.241 1.00 0.00 C ATOM 1092 O SER B 191 5.748 -4.652 -4.862 1.00 0.00 O ATOM 1093 CB SER B 191 5.086 -1.458 -5.426 1.00 0.00 C ATOM 1094 OG SER B 191 4.042 -0.710 -6.037 1.00 0.00 O ATOM 0 H SER B 191 4.157 -1.064 -3.235 1.00 0.00 H new ATOM 0 HA SER B 191 3.755 -3.174 -5.255 1.00 0.00 H new ATOM 0 HB2 SER B 191 5.660 -0.821 -4.754 1.00 0.00 H new ATOM 0 HB3 SER B 191 5.777 -1.826 -6.184 1.00 0.00 H new ATOM 0 HG SER B 191 3.736 -0.012 -5.421 1.00 0.00 H new ATOM 1100 N LYS B 192 6.285 -3.319 -3.187 1.00 0.00 N ATOM 1101 CA LYS B 192 7.356 -4.246 -2.719 1.00 0.00 C ATOM 1102 C LYS B 192 6.720 -5.470 -2.057 1.00 0.00 C ATOM 1103 O LYS B 192 7.222 -6.572 -2.160 1.00 0.00 O ATOM 1104 CB LYS B 192 8.173 -3.443 -1.703 1.00 0.00 C ATOM 1105 CG LYS B 192 9.055 -2.432 -2.440 1.00 0.00 C ATOM 1106 CD LYS B 192 10.383 -2.274 -1.699 1.00 0.00 C ATOM 1107 CE LYS B 192 10.179 -1.390 -0.466 1.00 0.00 C ATOM 1108 NZ LYS B 192 11.475 -1.446 0.266 1.00 0.00 N ATOM 0 H LYS B 192 6.174 -2.471 -2.632 1.00 0.00 H new ATOM 0 HA LYS B 192 7.982 -4.607 -3.535 1.00 0.00 H new ATOM 0 HB2 LYS B 192 7.507 -2.925 -1.013 1.00 0.00 H new ATOM 0 HB3 LYS B 192 8.791 -4.114 -1.106 1.00 0.00 H new ATOM 0 HG2 LYS B 192 9.235 -2.767 -3.461 1.00 0.00 H new ATOM 0 HG3 LYS B 192 8.547 -1.470 -2.505 1.00 0.00 H new ATOM 0 HD2 LYS B 192 10.763 -3.251 -1.400 1.00 0.00 H new ATOM 0 HD3 LYS B 192 11.129 -1.830 -2.358 1.00 0.00 H new ATOM 0 HE2 LYS B 192 9.930 -0.368 -0.750 1.00 0.00 H new ATOM 0 HE3 LYS B 192 9.360 -1.758 0.152 1.00 0.00 H new ATOM 0 HZ1 LYS B 192 11.414 -0.863 1.125 1.00 0.00 H new ATOM 0 HZ2 LYS B 192 11.683 -2.430 0.529 1.00 0.00 H new ATOM 0 HZ3 LYS B 192 12.235 -1.083 -0.345 1.00 0.00 H new ATOM 1122 N LEU B 193 5.606 -5.279 -1.392 1.00 0.00 N ATOM 1123 CA LEU B 193 4.920 -6.432 -0.736 1.00 0.00 C ATOM 1124 C LEU B 193 4.344 -7.353 -1.813 1.00 0.00 C ATOM 1125 O LEU B 193 4.337 -8.562 -1.670 1.00 0.00 O ATOM 1126 CB LEU B 193 3.798 -5.818 0.116 1.00 0.00 C ATOM 1127 CG LEU B 193 4.004 -6.189 1.591 1.00 0.00 C ATOM 1128 CD1 LEU B 193 4.689 -5.031 2.321 1.00 0.00 C ATOM 1129 CD2 LEU B 193 2.648 -6.468 2.246 1.00 0.00 C ATOM 0 H LEU B 193 5.145 -4.377 -1.276 1.00 0.00 H new ATOM 0 HA LEU B 193 5.596 -7.027 -0.121 1.00 0.00 H new ATOM 0 HB2 LEU B 193 3.793 -4.734 0.001 1.00 0.00 H new ATOM 0 HB3 LEU B 193 2.829 -6.179 -0.228 1.00 0.00 H new ATOM 0 HG LEU B 193 4.629 -7.080 1.653 1.00 0.00 H new ATOM 0 HD11 LEU B 193 4.834 -5.296 3.368 1.00 0.00 H new ATOM 0 HD12 LEU B 193 5.656 -4.831 1.860 1.00 0.00 H new ATOM 0 HD13 LEU B 193 4.065 -4.140 2.256 1.00 0.00 H new ATOM 0 HD21 LEU B 193 2.797 -6.731 3.293 1.00 0.00 H new ATOM 0 HD22 LEU B 193 2.023 -5.578 2.181 1.00 0.00 H new ATOM 0 HD23 LEU B 193 2.158 -7.294 1.731 1.00 0.00 H new ATOM 1141 N LYS B 194 3.875 -6.785 -2.897 1.00 0.00 N ATOM 1142 CA LYS B 194 3.313 -7.622 -4.000 1.00 0.00 C ATOM 1143 C LYS B 194 4.422 -8.495 -4.586 1.00 0.00 C ATOM 1144 O LYS B 194 4.256 -9.687 -4.765 1.00 0.00 O ATOM 1145 CB LYS B 194 2.797 -6.629 -5.045 1.00 0.00 C ATOM 1146 CG LYS B 194 1.504 -7.163 -5.664 1.00 0.00 C ATOM 1147 CD LYS B 194 0.337 -6.915 -4.706 1.00 0.00 C ATOM 1148 CE LYS B 194 -0.979 -6.947 -5.485 1.00 0.00 C ATOM 1149 NZ LYS B 194 -1.993 -6.388 -4.549 1.00 0.00 N ATOM 0 H LYS B 194 3.857 -5.779 -3.065 1.00 0.00 H new ATOM 0 HA LYS B 194 2.518 -8.285 -3.659 1.00 0.00 H new ATOM 0 HB2 LYS B 194 2.617 -5.659 -4.582 1.00 0.00 H new ATOM 0 HB3 LYS B 194 3.548 -6.478 -5.820 1.00 0.00 H new ATOM 0 HG2 LYS B 194 1.315 -6.671 -6.618 1.00 0.00 H new ATOM 0 HG3 LYS B 194 1.600 -8.229 -5.868 1.00 0.00 H new ATOM 0 HD2 LYS B 194 0.327 -7.674 -3.924 1.00 0.00 H new ATOM 0 HD3 LYS B 194 0.456 -5.950 -4.213 1.00 0.00 H new ATOM 0 HE2 LYS B 194 -0.913 -6.353 -6.396 1.00 0.00 H new ATOM 0 HE3 LYS B 194 -1.236 -7.963 -5.785 1.00 0.00 H new ATOM 0 HZ1 LYS B 194 -2.924 -6.377 -5.012 1.00 0.00 H new ATOM 0 HZ2 LYS B 194 -2.038 -6.978 -3.694 1.00 0.00 H new ATOM 0 HZ3 LYS B 194 -1.726 -5.418 -4.287 1.00 0.00 H new ATOM 1163 N LYS B 195 5.559 -7.907 -4.867 1.00 0.00 N ATOM 1164 CA LYS B 195 6.695 -8.702 -5.422 1.00 0.00 C ATOM 1165 C LYS B 195 7.196 -9.672 -4.351 1.00 0.00 C ATOM 1166 O LYS B 195 7.646 -10.763 -4.649 1.00 0.00 O ATOM 1167 CB LYS B 195 7.773 -7.676 -5.774 1.00 0.00 C ATOM 1168 CG LYS B 195 8.909 -8.367 -6.533 1.00 0.00 C ATOM 1169 CD LYS B 195 8.575 -8.406 -8.026 1.00 0.00 C ATOM 1170 CE LYS B 195 9.196 -7.192 -8.721 1.00 0.00 C ATOM 1171 NZ LYS B 195 10.623 -7.562 -8.934 1.00 0.00 N ATOM 0 H LYS B 195 5.748 -6.913 -4.736 1.00 0.00 H new ATOM 0 HA LYS B 195 6.413 -9.292 -6.294 1.00 0.00 H new ATOM 0 HB2 LYS B 195 7.346 -6.879 -6.383 1.00 0.00 H new ATOM 0 HB3 LYS B 195 8.158 -7.212 -4.866 1.00 0.00 H new ATOM 0 HG2 LYS B 195 9.846 -7.833 -6.373 1.00 0.00 H new ATOM 0 HG3 LYS B 195 9.051 -9.379 -6.155 1.00 0.00 H new ATOM 0 HD2 LYS B 195 8.955 -9.326 -8.470 1.00 0.00 H new ATOM 0 HD3 LYS B 195 7.494 -8.406 -8.168 1.00 0.00 H new ATOM 0 HE2 LYS B 195 8.697 -6.980 -9.667 1.00 0.00 H new ATOM 0 HE3 LYS B 195 9.107 -6.296 -8.106 1.00 0.00 H new ATOM 0 HZ1 LYS B 195 11.226 -6.732 -8.763 1.00 0.00 H new ATOM 0 HZ2 LYS B 195 10.886 -8.323 -8.276 1.00 0.00 H new ATOM 0 HZ3 LYS B 195 10.754 -7.890 -9.912 1.00 0.00 H new ATOM 1185 N LYS B 196 7.103 -9.281 -3.105 1.00 0.00 N ATOM 1186 CA LYS B 196 7.553 -10.177 -1.998 1.00 0.00 C ATOM 1187 C LYS B 196 6.664 -11.421 -1.964 1.00 0.00 C ATOM 1188 O LYS B 196 7.115 -12.509 -1.657 1.00 0.00 O ATOM 1189 CB LYS B 196 7.384 -9.350 -0.717 1.00 0.00 C ATOM 1190 CG LYS B 196 7.807 -10.179 0.502 1.00 0.00 C ATOM 1191 CD LYS B 196 6.845 -9.914 1.663 1.00 0.00 C ATOM 1192 CE LYS B 196 5.481 -10.539 1.354 1.00 0.00 C ATOM 1193 NZ LYS B 196 5.627 -11.978 1.714 1.00 0.00 N ATOM 0 H LYS B 196 6.734 -8.378 -2.807 1.00 0.00 H new ATOM 0 HA LYS B 196 8.582 -10.515 -2.118 1.00 0.00 H new ATOM 0 HB2 LYS B 196 7.986 -8.444 -0.777 1.00 0.00 H new ATOM 0 HB3 LYS B 196 6.346 -9.036 -0.611 1.00 0.00 H new ATOM 0 HG2 LYS B 196 7.806 -11.240 0.251 1.00 0.00 H new ATOM 0 HG3 LYS B 196 8.825 -9.921 0.794 1.00 0.00 H new ATOM 0 HD2 LYS B 196 7.248 -10.333 2.585 1.00 0.00 H new ATOM 0 HD3 LYS B 196 6.737 -8.841 1.821 1.00 0.00 H new ATOM 0 HE2 LYS B 196 4.689 -10.065 1.934 1.00 0.00 H new ATOM 0 HE3 LYS B 196 5.221 -10.419 0.302 1.00 0.00 H new ATOM 0 HZ1 LYS B 196 5.185 -12.566 0.979 1.00 0.00 H new ATOM 0 HZ2 LYS B 196 6.637 -12.217 1.787 1.00 0.00 H new ATOM 0 HZ3 LYS B 196 5.162 -12.156 2.627 1.00 0.00 H new ATOM 1207 N GLN B 197 5.407 -11.263 -2.288 1.00 0.00 N ATOM 1208 CA GLN B 197 4.477 -12.434 -2.289 1.00 0.00 C ATOM 1209 C GLN B 197 4.934 -13.448 -3.341 1.00 0.00 C ATOM 1210 O GLN B 197 4.749 -14.641 -3.189 1.00 0.00 O ATOM 1211 CB GLN B 197 3.097 -11.865 -2.648 1.00 0.00 C ATOM 1212 CG GLN B 197 2.177 -11.924 -1.425 1.00 0.00 C ATOM 1213 CD GLN B 197 1.883 -13.384 -1.073 1.00 0.00 C ATOM 1214 OE1 GLN B 197 2.633 -14.273 -1.429 1.00 0.00 O ATOM 1215 NE2 GLN B 197 0.813 -13.672 -0.383 1.00 0.00 N ATOM 0 H GLN B 197 4.983 -10.374 -2.552 1.00 0.00 H new ATOM 0 HA GLN B 197 4.454 -12.947 -1.328 1.00 0.00 H new ATOM 0 HB2 GLN B 197 3.196 -10.835 -2.990 1.00 0.00 H new ATOM 0 HB3 GLN B 197 2.662 -12.434 -3.470 1.00 0.00 H new ATOM 0 HG2 GLN B 197 2.648 -11.423 -0.579 1.00 0.00 H new ATOM 0 HG3 GLN B 197 1.247 -11.395 -1.631 1.00 0.00 H new ATOM 0 HE21 GLN B 197 0.183 -12.927 -0.084 1.00 0.00 H new ATOM 0 HE22 GLN B 197 0.607 -14.642 -0.143 1.00 0.00 H new ATOM 1224 N GLN B 198 5.537 -12.976 -4.403 1.00 0.00 N ATOM 1225 CA GLN B 198 6.020 -13.902 -5.472 1.00 0.00 C ATOM 1226 C GLN B 198 7.056 -14.867 -4.895 1.00 0.00 C ATOM 1227 O GLN B 198 7.006 -16.060 -5.126 1.00 0.00 O ATOM 1228 CB GLN B 198 6.662 -13.003 -6.531 1.00 0.00 C ATOM 1229 CG GLN B 198 6.759 -13.761 -7.857 1.00 0.00 C ATOM 1230 CD GLN B 198 6.529 -12.790 -9.016 1.00 0.00 C ATOM 1231 OE1 GLN B 198 7.311 -12.737 -9.945 1.00 0.00 O ATOM 1232 NE2 GLN B 198 5.482 -12.013 -9.001 1.00 0.00 N ATOM 0 H GLN B 198 5.716 -11.987 -4.576 1.00 0.00 H new ATOM 0 HA GLN B 198 5.212 -14.503 -5.890 1.00 0.00 H new ATOM 0 HB2 GLN B 198 6.070 -12.097 -6.661 1.00 0.00 H new ATOM 0 HB3 GLN B 198 7.654 -12.691 -6.205 1.00 0.00 H new ATOM 0 HG2 GLN B 198 7.739 -14.229 -7.950 1.00 0.00 H new ATOM 0 HG3 GLN B 198 6.019 -14.561 -7.886 1.00 0.00 H new ATOM 0 HE21 GLN B 198 4.825 -12.057 -8.222 1.00 0.00 H new ATOM 0 HE22 GLN B 198 5.320 -11.361 -9.769 1.00 0.00 H new ATOM 1241 N GLN B 199 7.987 -14.352 -4.136 1.00 0.00 N ATOM 1242 CA GLN B 199 9.032 -15.230 -3.526 1.00 0.00 C ATOM 1243 C GLN B 199 8.372 -16.246 -2.591 1.00 0.00 C ATOM 1244 O GLN B 199 8.753 -17.401 -2.548 1.00 0.00 O ATOM 1245 CB GLN B 199 9.944 -14.287 -2.736 1.00 0.00 C ATOM 1246 CG GLN B 199 10.715 -13.389 -3.706 1.00 0.00 C ATOM 1247 CD GLN B 199 11.472 -12.318 -2.919 1.00 0.00 C ATOM 1248 OE1 GLN B 199 12.441 -12.611 -2.249 1.00 0.00 O ATOM 1249 NE2 GLN B 199 11.067 -11.078 -2.972 1.00 0.00 N ATOM 0 H GLN B 199 8.070 -13.361 -3.911 1.00 0.00 H new ATOM 0 HA GLN B 199 9.589 -15.792 -4.275 1.00 0.00 H new ATOM 0 HB2 GLN B 199 9.351 -13.678 -2.053 1.00 0.00 H new ATOM 0 HB3 GLN B 199 10.640 -14.863 -2.126 1.00 0.00 H new ATOM 0 HG2 GLN B 199 11.413 -13.985 -4.293 1.00 0.00 H new ATOM 0 HG3 GLN B 199 10.027 -12.920 -4.409 1.00 0.00 H new ATOM 0 HE21 GLN B 199 10.253 -10.831 -3.535 1.00 0.00 H new ATOM 0 HE22 GLN B 199 11.565 -10.356 -2.451 1.00 0.00 H new ATOM 1258 N LEU B 200 7.377 -15.823 -1.853 1.00 0.00 N ATOM 1259 CA LEU B 200 6.675 -16.760 -0.927 1.00 0.00 C ATOM 1260 C LEU B 200 5.768 -17.693 -1.732 1.00 0.00 C ATOM 1261 O LEU B 200 5.542 -18.829 -1.358 1.00 0.00 O ATOM 1262 CB LEU B 200 5.843 -15.866 -0.004 1.00 0.00 C ATOM 1263 CG LEU B 200 5.148 -16.727 1.051 1.00 0.00 C ATOM 1264 CD1 LEU B 200 6.132 -17.053 2.176 1.00 0.00 C ATOM 1265 CD2 LEU B 200 3.954 -15.961 1.628 1.00 0.00 C ATOM 0 H LEU B 200 7.021 -14.867 -1.853 1.00 0.00 H new ATOM 0 HA LEU B 200 7.367 -17.385 -0.362 1.00 0.00 H new ATOM 0 HB2 LEU B 200 6.483 -15.128 0.478 1.00 0.00 H new ATOM 0 HB3 LEU B 200 5.103 -15.315 -0.584 1.00 0.00 H new ATOM 0 HG LEU B 200 4.802 -17.653 0.591 1.00 0.00 H new ATOM 0 HD11 LEU B 200 5.635 -17.667 2.927 1.00 0.00 H new ATOM 0 HD12 LEU B 200 6.984 -17.597 1.768 1.00 0.00 H new ATOM 0 HD13 LEU B 200 6.479 -16.127 2.635 1.00 0.00 H new ATOM 0 HD21 LEU B 200 3.458 -16.574 2.380 1.00 0.00 H new ATOM 0 HD22 LEU B 200 4.303 -15.035 2.086 1.00 0.00 H new ATOM 0 HD23 LEU B 200 3.251 -15.728 0.829 1.00 0.00 H new ATOM 1277 N GLU B 201 5.258 -17.221 -2.841 1.00 0.00 N ATOM 1278 CA GLU B 201 4.373 -18.074 -3.689 1.00 0.00 C ATOM 1279 C GLU B 201 5.222 -19.045 -4.508 1.00 0.00 C ATOM 1280 O GLU B 201 4.806 -20.149 -4.807 1.00 0.00 O ATOM 1281 CB GLU B 201 3.634 -17.099 -4.609 1.00 0.00 C ATOM 1282 CG GLU B 201 2.444 -16.492 -3.864 1.00 0.00 C ATOM 1283 CD GLU B 201 1.496 -15.833 -4.867 1.00 0.00 C ATOM 1284 OE1 GLU B 201 1.279 -16.414 -5.918 1.00 0.00 O ATOM 1285 OE2 GLU B 201 1.005 -14.756 -4.568 1.00 0.00 O ATOM 0 H GLU B 201 5.417 -16.278 -3.196 1.00 0.00 H new ATOM 0 HA GLU B 201 3.680 -18.671 -3.096 1.00 0.00 H new ATOM 0 HB2 GLU B 201 4.310 -16.310 -4.938 1.00 0.00 H new ATOM 0 HB3 GLU B 201 3.290 -17.618 -5.504 1.00 0.00 H new ATOM 0 HG2 GLU B 201 1.918 -17.266 -3.305 1.00 0.00 H new ATOM 0 HG3 GLU B 201 2.792 -15.756 -3.139 1.00 0.00 H new