USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 506 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 Set 1.1: A 37 SER OG : rot 180:sc= 0.448 USER MOD Set 1.2: A 40 GLN : amide:sc= 0.922 K(o=1.4,f=-3.2!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 164:sc= 2.09 (180deg=1.29) USER MOD Single : A 29 THR OG1 : rot -89:sc= 1.27 USER MOD Single : A 33 GLN : amide:sc=-0.00187 X(o=-0.0019,f=-0.088) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0.0661 USER MOD Single : A 50 ASN : amide:sc=-0.00443 X(o=-0.0044,f=-0.053) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -81:sc= 0.432 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0176 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.24) USER MOD Single : A 69 GLN : amide:sc= 0.747 K(o=0.75,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -166:sc= -0.0194 (180deg=-0.188) USER MOD ----------------------------------------------------------------- ATOM 152 N TYR A 23 5.513 0.215 5.303 1.00 0.00 N ATOM 153 CA TYR A 23 4.306 -0.450 4.861 1.00 0.00 C ATOM 154 C TYR A 23 3.839 -1.526 5.833 1.00 0.00 C ATOM 155 O TYR A 23 3.187 -2.455 5.376 1.00 0.00 O ATOM 156 CB TYR A 23 4.591 -0.875 3.428 1.00 0.00 C ATOM 157 CG TYR A 23 3.356 -1.445 2.761 1.00 0.00 C ATOM 158 CD1 TYR A 23 2.270 -0.591 2.542 1.00 0.00 C ATOM 159 CD2 TYR A 23 3.335 -2.739 2.221 1.00 0.00 C ATOM 160 CE1 TYR A 23 1.183 -0.988 1.752 1.00 0.00 C ATOM 161 CE2 TYR A 23 2.248 -3.202 1.461 1.00 0.00 C ATOM 162 CZ TYR A 23 1.195 -2.308 1.239 1.00 0.00 C ATOM 163 OH TYR A 23 0.092 -2.590 0.488 1.00 0.00 O ATOM 0 HA TYR A 23 3.428 0.196 4.859 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.951 -0.018 2.858 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.387 -1.620 3.420 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.269 0.392 2.990 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.175 -3.396 2.394 1.00 0.00 H new ATOM 0 HE1 TYR A 23 0.367 -0.313 1.542 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.226 -4.206 1.065 1.00 0.00 H new ATOM 0 HH TYR A 23 0.148 -3.511 0.157 1.00 0.00 H new ATOM 173 N TYR A 24 4.407 -1.637 7.040 1.00 0.00 N ATOM 174 CA TYR A 24 4.146 -2.682 8.010 1.00 0.00 C ATOM 175 C TYR A 24 2.824 -2.593 8.778 1.00 0.00 C ATOM 176 O TYR A 24 2.024 -1.737 8.406 1.00 0.00 O ATOM 177 CB TYR A 24 5.384 -2.624 8.894 1.00 0.00 C ATOM 178 CG TYR A 24 5.610 -1.385 9.714 1.00 0.00 C ATOM 179 CD1 TYR A 24 6.272 -0.323 9.090 1.00 0.00 C ATOM 180 CD2 TYR A 24 5.131 -1.300 11.045 1.00 0.00 C ATOM 181 CE1 TYR A 24 6.328 0.915 9.743 1.00 0.00 C ATOM 182 CE2 TYR A 24 5.249 -0.033 11.637 1.00 0.00 C ATOM 183 CZ TYR A 24 5.783 1.117 11.022 1.00 0.00 C ATOM 184 OH TYR A 24 5.806 2.329 11.635 1.00 0.00 O ATOM 0 H TYR A 24 5.094 -0.961 7.373 1.00 0.00 H new ATOM 0 HA TYR A 24 3.993 -3.645 7.523 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.347 -3.473 9.576 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.256 -2.766 8.256 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.732 -0.455 8.122 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.707 -2.147 11.565 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.808 1.745 9.245 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.900 0.070 12.654 1.00 0.00 H new ATOM 0 HH TYR A 24 5.377 2.259 12.514 1.00 0.00 H new ATOM 194 N LYS A 25 2.694 -3.365 9.854 1.00 0.00 N ATOM 195 CA LYS A 25 1.631 -3.188 10.826 1.00 0.00 C ATOM 196 C LYS A 25 0.841 -1.890 10.857 1.00 0.00 C ATOM 197 O LYS A 25 -0.388 -1.925 10.913 1.00 0.00 O ATOM 198 CB LYS A 25 2.121 -3.625 12.212 1.00 0.00 C ATOM 199 CG LYS A 25 1.073 -4.067 13.217 1.00 0.00 C ATOM 200 CD LYS A 25 1.584 -4.513 14.599 1.00 0.00 C ATOM 201 CE LYS A 25 2.345 -3.360 15.248 1.00 0.00 C ATOM 202 NZ LYS A 25 2.806 -3.881 16.539 1.00 0.00 N ATOM 0 H LYS A 25 3.329 -4.133 10.073 1.00 0.00 H new ATOM 0 HA LYS A 25 0.847 -3.846 10.451 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.825 -4.446 12.077 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.678 -2.796 12.649 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.373 -3.244 13.363 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.509 -4.892 12.780 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.747 -4.813 15.230 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.234 -5.382 14.497 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.184 -3.044 14.629 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.702 -2.490 15.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.338 -3.142 17.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.986 -4.167 17.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.422 -4.704 16.381 1.00 0.00 H new ATOM 216 N ILE A 26 1.509 -0.746 11.041 1.00 0.00 N ATOM 217 CA ILE A 26 0.765 0.496 11.100 1.00 0.00 C ATOM 218 C ILE A 26 -0.344 0.739 10.080 1.00 0.00 C ATOM 219 O ILE A 26 -1.424 1.163 10.470 1.00 0.00 O ATOM 220 CB ILE A 26 1.814 1.595 11.094 1.00 0.00 C ATOM 221 CG1 ILE A 26 1.260 2.964 11.483 1.00 0.00 C ATOM 222 CG2 ILE A 26 2.576 1.711 9.769 1.00 0.00 C ATOM 223 CD1 ILE A 26 0.566 3.086 12.840 1.00 0.00 C ATOM 0 H ILE A 26 2.520 -0.662 11.147 1.00 0.00 H new ATOM 0 HA ILE A 26 0.159 0.464 12.005 1.00 0.00 H new ATOM 0 HB ILE A 26 2.520 1.279 11.863 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.083 3.678 11.461 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.551 3.271 10.714 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.308 2.516 9.839 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.089 0.772 9.561 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.874 1.928 8.964 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.224 4.111 12.983 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.288 2.410 12.874 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.267 2.824 13.632 1.00 0.00 H new ATOM 235 N ILE A 27 -0.084 0.572 8.782 1.00 0.00 N ATOM 236 CA ILE A 27 -0.980 0.649 7.650 1.00 0.00 C ATOM 237 C ILE A 27 -1.691 -0.688 7.451 1.00 0.00 C ATOM 238 O ILE A 27 -2.893 -0.656 7.252 1.00 0.00 O ATOM 239 CB ILE A 27 -0.281 1.320 6.460 1.00 0.00 C ATOM 240 CG1 ILE A 27 -1.377 1.354 5.393 1.00 0.00 C ATOM 241 CG2 ILE A 27 1.017 0.577 6.133 1.00 0.00 C ATOM 242 CD1 ILE A 27 -0.961 1.863 4.024 1.00 0.00 C ATOM 0 H ILE A 27 0.865 0.357 8.477 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.818 1.325 7.819 1.00 0.00 H new ATOM 0 HB ILE A 27 0.084 2.335 6.613 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.775 0.346 5.278 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.192 1.979 5.758 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.509 1.058 5.287 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.678 0.601 6.999 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.790 -0.458 5.879 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.819 1.842 3.352 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.594 2.886 4.112 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.171 1.227 3.624 1.00 0.00 H new ATOM 254 N LYS A 28 -0.958 -1.801 7.481 1.00 0.00 N ATOM 255 CA LYS A 28 -1.465 -3.114 7.146 1.00 0.00 C ATOM 256 C LYS A 28 -2.722 -3.443 7.926 1.00 0.00 C ATOM 257 O LYS A 28 -3.689 -3.770 7.252 1.00 0.00 O ATOM 258 CB LYS A 28 -0.431 -4.214 7.277 1.00 0.00 C ATOM 259 CG LYS A 28 -0.990 -5.601 6.997 1.00 0.00 C ATOM 260 CD LYS A 28 0.192 -6.520 6.650 1.00 0.00 C ATOM 261 CE LYS A 28 -0.262 -7.975 6.572 1.00 0.00 C ATOM 262 NZ LYS A 28 -1.340 -8.220 5.602 1.00 0.00 N ATOM 0 H LYS A 28 0.027 -1.805 7.746 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.723 -3.069 6.088 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.390 -4.015 6.589 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.015 -4.194 8.284 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.526 -5.980 7.867 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.703 -5.567 6.173 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.627 -6.218 5.697 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.973 -6.417 7.404 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.594 -8.597 6.311 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.598 -8.292 7.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.407 -9.239 5.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.242 -7.882 5.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.134 -7.712 4.718 1.00 0.00 H new ATOM 276 N THR A 29 -2.731 -3.328 9.262 1.00 0.00 N ATOM 277 CA THR A 29 -3.864 -3.623 10.121 1.00 0.00 C ATOM 278 C THR A 29 -5.113 -2.989 9.537 1.00 0.00 C ATOM 279 O THR A 29 -6.108 -3.642 9.249 1.00 0.00 O ATOM 280 CB THR A 29 -3.572 -3.032 11.494 1.00 0.00 C ATOM 281 OG1 THR A 29 -2.996 -1.741 11.441 1.00 0.00 O ATOM 282 CG2 THR A 29 -2.580 -3.932 12.210 1.00 0.00 C ATOM 0 H THR A 29 -1.913 -3.014 9.784 1.00 0.00 H new ATOM 0 HA THR A 29 -4.023 -4.698 10.201 1.00 0.00 H new ATOM 0 HB THR A 29 -4.530 -2.957 12.009 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.020 -1.820 11.392 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.361 -3.521 13.196 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.006 -4.929 12.319 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.659 -3.993 11.630 1.00 0.00 H new ATOM 290 N ALA A 30 -5.027 -1.677 9.248 1.00 0.00 N ATOM 291 CA ALA A 30 -6.089 -0.777 8.830 1.00 0.00 C ATOM 292 C ALA A 30 -6.557 -0.868 7.377 1.00 0.00 C ATOM 293 O ALA A 30 -7.774 -0.813 7.231 1.00 0.00 O ATOM 294 CB ALA A 30 -5.550 0.639 9.007 1.00 0.00 C ATOM 0 H ALA A 30 -4.133 -1.190 9.310 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.952 -1.054 9.436 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.311 1.358 8.706 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.291 0.801 10.053 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.662 0.770 8.389 1.00 0.00 H new ATOM 300 N ARG A 31 -5.700 -1.114 6.392 1.00 0.00 N ATOM 301 CA ARG A 31 -6.191 -1.349 5.060 1.00 0.00 C ATOM 302 C ARG A 31 -7.168 -2.526 4.966 1.00 0.00 C ATOM 303 O ARG A 31 -8.033 -2.531 4.097 1.00 0.00 O ATOM 304 CB ARG A 31 -5.035 -1.276 4.071 1.00 0.00 C ATOM 305 CG ARG A 31 -4.195 -2.561 4.098 1.00 0.00 C ATOM 306 CD ARG A 31 -3.277 -2.729 2.900 1.00 0.00 C ATOM 307 NE ARG A 31 -2.708 -4.087 2.953 1.00 0.00 N ATOM 308 CZ ARG A 31 -3.235 -5.164 2.371 1.00 0.00 C ATOM 309 NH1 ARG A 31 -4.445 -5.165 1.774 1.00 0.00 N ATOM 310 NH2 ARG A 31 -2.640 -6.355 2.404 1.00 0.00 N ATOM 0 H ARG A 31 -4.686 -1.153 6.496 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.859 -0.545 4.750 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.424 -1.114 3.066 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.403 -0.421 4.310 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.593 -2.570 5.007 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.865 -3.419 4.151 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.830 -2.583 1.972 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.484 -1.982 2.919 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.842 -4.213 3.477 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.004 -4.312 1.753 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.801 -6.019 1.343 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.749 -6.467 2.887 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.076 -7.156 1.946 1.00 0.00 H new ATOM 324 N GLU A 32 -6.801 -3.610 5.642 1.00 0.00 N ATOM 325 CA GLU A 32 -7.612 -4.754 6.002 1.00 0.00 C ATOM 326 C GLU A 32 -8.866 -4.345 6.780 1.00 0.00 C ATOM 327 O GLU A 32 -9.837 -5.062 6.558 1.00 0.00 O ATOM 328 CB GLU A 32 -6.737 -5.755 6.760 1.00 0.00 C ATOM 329 CG GLU A 32 -6.015 -6.555 5.668 1.00 0.00 C ATOM 330 CD GLU A 32 -5.012 -7.553 6.218 1.00 0.00 C ATOM 331 OE1 GLU A 32 -5.245 -7.997 7.377 1.00 0.00 O ATOM 332 OE2 GLU A 32 -3.980 -7.804 5.586 1.00 0.00 O ATOM 0 H GLU A 32 -5.844 -3.713 5.978 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.986 -5.236 5.099 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.027 -5.245 7.411 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.340 -6.406 7.393 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.754 -7.086 5.068 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.500 -5.863 5.001 1.00 0.00 H new ATOM 339 N GLN A 33 -8.917 -3.329 7.626 1.00 0.00 N ATOM 340 CA GLN A 33 -10.123 -2.927 8.332 1.00 0.00 C ATOM 341 C GLN A 33 -11.106 -2.330 7.335 1.00 0.00 C ATOM 342 O GLN A 33 -12.276 -2.242 7.691 1.00 0.00 O ATOM 343 CB GLN A 33 -9.631 -1.965 9.406 1.00 0.00 C ATOM 344 CG GLN A 33 -10.688 -1.869 10.503 1.00 0.00 C ATOM 345 CD GLN A 33 -10.265 -2.453 11.843 1.00 0.00 C ATOM 346 OE1 GLN A 33 -9.516 -3.439 11.955 1.00 0.00 O ATOM 347 NE2 GLN A 33 -10.624 -1.887 12.994 1.00 0.00 N ATOM 0 H GLN A 33 -8.107 -2.750 7.845 1.00 0.00 H new ATOM 0 HA GLN A 33 -10.674 -3.740 8.806 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.686 -2.315 9.822 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.444 -0.981 8.975 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.951 -0.821 10.645 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.589 -2.381 10.167 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.238 -1.072 12.992 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.285 -2.268 13.877 1.00 0.00 H new ATOM 356 N LEU A 34 -10.621 -1.856 6.183 1.00 0.00 N ATOM 357 CA LEU A 34 -11.393 -1.221 5.139 1.00 0.00 C ATOM 358 C LEU A 34 -11.739 -2.174 3.997 1.00 0.00 C ATOM 359 O LEU A 34 -12.472 -1.854 3.060 1.00 0.00 O ATOM 360 CB LEU A 34 -10.512 -0.110 4.590 1.00 0.00 C ATOM 361 CG LEU A 34 -10.383 0.936 5.699 1.00 0.00 C ATOM 362 CD1 LEU A 34 -9.261 1.877 5.251 1.00 0.00 C ATOM 363 CD2 LEU A 34 -11.660 1.713 5.975 1.00 0.00 C ATOM 0 H LEU A 34 -9.629 -1.913 5.953 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.338 -0.867 5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.533 -0.496 4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.953 0.327 3.695 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.166 0.437 6.643 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.115 2.653 6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.337 1.311 5.131 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.530 2.338 4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -11.482 2.433 6.774 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -11.967 2.241 5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -12.448 1.023 6.277 1.00 0.00 H new ATOM 375 N GLY A 35 -11.094 -3.338 4.076 1.00 0.00 N ATOM 376 CA GLY A 35 -11.328 -4.474 3.182 1.00 0.00 C ATOM 377 C GLY A 35 -10.914 -4.330 1.730 1.00 0.00 C ATOM 378 O GLY A 35 -10.965 -5.322 0.999 1.00 0.00 O ATOM 0 H GLY A 35 -10.378 -3.522 4.779 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.806 -5.338 3.595 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.393 -4.704 3.205 1.00 0.00 H new ATOM 382 N ILE A 36 -10.501 -3.127 1.324 1.00 0.00 N ATOM 383 CA ILE A 36 -10.115 -2.712 -0.013 1.00 0.00 C ATOM 384 C ILE A 36 -8.987 -3.571 -0.552 1.00 0.00 C ATOM 385 O ILE A 36 -8.087 -3.845 0.233 1.00 0.00 O ATOM 386 CB ILE A 36 -9.846 -1.208 -0.062 1.00 0.00 C ATOM 387 CG1 ILE A 36 -8.661 -0.786 0.794 1.00 0.00 C ATOM 388 CG2 ILE A 36 -11.142 -0.431 0.165 1.00 0.00 C ATOM 389 CD1 ILE A 36 -7.993 0.538 0.433 1.00 0.00 C ATOM 0 H ILE A 36 -10.424 -2.355 1.987 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.950 -2.880 -0.694 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.515 -0.941 -1.065 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.993 -0.728 1.831 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.908 -1.572 0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.936 0.639 0.128 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.862 -0.689 -0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.554 -0.687 1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.164 0.725 1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.617 0.489 -0.589 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.720 1.346 0.514 1.00 0.00 H new ATOM 401 N SER A 37 -9.131 -4.138 -1.767 1.00 0.00 N ATOM 402 CA SER A 37 -8.186 -5.102 -2.267 1.00 0.00 C ATOM 403 C SER A 37 -6.771 -4.642 -2.605 1.00 0.00 C ATOM 404 O SER A 37 -6.492 -3.446 -2.644 1.00 0.00 O ATOM 405 CB SER A 37 -8.716 -5.783 -3.527 1.00 0.00 C ATOM 406 OG SER A 37 -8.719 -4.925 -4.645 1.00 0.00 O ATOM 0 H SER A 37 -9.900 -3.931 -2.405 1.00 0.00 H new ATOM 0 HA SER A 37 -8.091 -5.754 -1.399 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.105 -6.659 -3.747 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.730 -6.139 -3.344 1.00 0.00 H new ATOM 0 HG SER A 37 -9.065 -5.406 -5.426 1.00 0.00 H new ATOM 412 N GLN A 38 -5.768 -5.517 -2.737 1.00 0.00 N ATOM 413 CA GLN A 38 -4.467 -5.219 -3.284 1.00 0.00 C ATOM 414 C GLN A 38 -4.510 -4.459 -4.596 1.00 0.00 C ATOM 415 O GLN A 38 -3.771 -3.493 -4.789 1.00 0.00 O ATOM 416 CB GLN A 38 -3.542 -6.428 -3.298 1.00 0.00 C ATOM 417 CG GLN A 38 -3.174 -6.711 -1.841 1.00 0.00 C ATOM 418 CD GLN A 38 -2.102 -7.761 -1.602 1.00 0.00 C ATOM 419 OE1 GLN A 38 -1.105 -7.459 -0.943 1.00 0.00 O ATOM 420 NE2 GLN A 38 -2.241 -8.986 -2.112 1.00 0.00 N ATOM 0 H GLN A 38 -5.859 -6.491 -2.449 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.012 -4.515 -2.587 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.036 -7.289 -3.747 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.650 -6.227 -3.891 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.844 -5.777 -1.385 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.077 -7.020 -1.315 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.072 -9.221 -2.655 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.517 -9.687 -1.959 1.00 0.00 H new ATOM 429 N GLN A 39 -5.403 -4.880 -5.514 1.00 0.00 N ATOM 430 CA GLN A 39 -5.607 -4.221 -6.793 1.00 0.00 C ATOM 431 C GLN A 39 -6.246 -2.860 -6.580 1.00 0.00 C ATOM 432 O GLN A 39 -6.002 -1.934 -7.352 1.00 0.00 O ATOM 433 CB GLN A 39 -6.506 -5.096 -7.645 1.00 0.00 C ATOM 434 CG GLN A 39 -6.374 -4.627 -9.094 1.00 0.00 C ATOM 435 CD GLN A 39 -7.004 -5.595 -10.071 1.00 0.00 C ATOM 436 OE1 GLN A 39 -6.318 -6.431 -10.672 1.00 0.00 O ATOM 437 NE2 GLN A 39 -8.315 -5.573 -10.326 1.00 0.00 N ATOM 0 H GLN A 39 -6.001 -5.694 -5.375 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.651 -4.074 -7.295 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.218 -6.143 -7.554 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.541 -5.020 -7.311 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.844 -3.649 -9.201 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.319 -4.503 -9.339 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.916 -4.899 -9.851 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.715 -6.230 -10.995 1.00 0.00 H new ATOM 446 N GLN A 40 -7.126 -2.686 -5.600 1.00 0.00 N ATOM 447 CA GLN A 40 -7.770 -1.425 -5.339 1.00 0.00 C ATOM 448 C GLN A 40 -6.748 -0.454 -4.750 1.00 0.00 C ATOM 449 O GLN A 40 -6.785 0.688 -5.214 1.00 0.00 O ATOM 450 CB GLN A 40 -9.024 -1.572 -4.493 1.00 0.00 C ATOM 451 CG GLN A 40 -10.287 -2.098 -5.170 1.00 0.00 C ATOM 452 CD GLN A 40 -11.276 -2.586 -4.111 1.00 0.00 C ATOM 453 OE1 GLN A 40 -11.264 -3.711 -3.602 1.00 0.00 O ATOM 454 NE2 GLN A 40 -12.114 -1.705 -3.553 1.00 0.00 N ATOM 0 H GLN A 40 -7.408 -3.431 -4.963 1.00 0.00 H new ATOM 0 HA GLN A 40 -8.130 -1.008 -6.280 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -8.790 -2.236 -3.661 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.255 -0.596 -4.066 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -10.743 -1.312 -5.772 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.035 -2.913 -5.849 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.176 -0.756 -3.922 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.691 -1.982 -2.759 1.00 0.00 H new ATOM 463 N LEU A 41 -5.861 -0.838 -3.842 1.00 0.00 N ATOM 464 CA LEU A 41 -4.808 -0.052 -3.234 1.00 0.00 C ATOM 465 C LEU A 41 -3.792 0.508 -4.236 1.00 0.00 C ATOM 466 O LEU A 41 -3.231 1.591 -4.111 1.00 0.00 O ATOM 467 CB LEU A 41 -4.303 -0.882 -2.066 1.00 0.00 C ATOM 468 CG LEU A 41 -3.352 -0.096 -1.173 1.00 0.00 C ATOM 469 CD1 LEU A 41 -3.944 1.171 -0.531 1.00 0.00 C ATOM 470 CD2 LEU A 41 -2.857 -0.947 -0.010 1.00 0.00 C ATOM 0 H LEU A 41 -5.865 -1.793 -3.484 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.160 0.899 -2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.151 -1.229 -1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.794 -1.768 -2.445 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.559 0.195 -1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.186 1.656 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.270 1.857 -1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.797 0.899 0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.180 -0.358 0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.707 -1.273 0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.329 -1.819 -0.396 1.00 0.00 H new ATOM 482 N ALA A 42 -3.410 -0.437 -5.100 1.00 0.00 N ATOM 483 CA ALA A 42 -2.552 -0.161 -6.232 1.00 0.00 C ATOM 484 C ALA A 42 -3.010 0.944 -7.180 1.00 0.00 C ATOM 485 O ALA A 42 -2.134 1.604 -7.726 1.00 0.00 O ATOM 486 CB ALA A 42 -2.261 -1.467 -6.961 1.00 0.00 C ATOM 0 H ALA A 42 -3.693 -1.414 -5.025 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.636 0.261 -5.818 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.615 -1.270 -7.816 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.763 -2.160 -6.282 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.196 -1.907 -7.307 1.00 0.00 H new ATOM 492 N GLN A 43 -4.294 1.095 -7.470 1.00 0.00 N ATOM 493 CA GLN A 43 -4.892 2.258 -8.101 1.00 0.00 C ATOM 494 C GLN A 43 -4.784 3.528 -7.267 1.00 0.00 C ATOM 495 O GLN A 43 -4.658 4.616 -7.826 1.00 0.00 O ATOM 496 CB GLN A 43 -6.359 1.996 -8.443 1.00 0.00 C ATOM 497 CG GLN A 43 -6.484 0.938 -9.531 1.00 0.00 C ATOM 498 CD GLN A 43 -7.818 0.227 -9.717 1.00 0.00 C ATOM 499 OE1 GLN A 43 -8.750 0.774 -10.284 1.00 0.00 O ATOM 500 NE2 GLN A 43 -8.028 -0.913 -9.058 1.00 0.00 N ATOM 0 H GLN A 43 -4.981 0.371 -7.260 1.00 0.00 H new ATOM 0 HA GLN A 43 -4.319 2.425 -9.013 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -6.892 1.669 -7.550 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -6.830 2.921 -8.775 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -6.227 1.409 -10.480 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -5.729 0.176 -9.338 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -7.254 -1.377 -8.581 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -8.962 -1.322 -9.030 1.00 0.00 H new ATOM 509 N LYS A 44 -4.972 3.479 -5.947 1.00 0.00 N ATOM 510 CA LYS A 44 -4.873 4.591 -5.026 1.00 0.00 C ATOM 511 C LYS A 44 -3.462 5.153 -4.983 1.00 0.00 C ATOM 512 O LYS A 44 -3.262 6.170 -4.313 1.00 0.00 O ATOM 513 CB LYS A 44 -5.397 4.084 -3.684 1.00 0.00 C ATOM 514 CG LYS A 44 -6.893 3.767 -3.751 1.00 0.00 C ATOM 515 CD LYS A 44 -7.725 4.944 -4.234 1.00 0.00 C ATOM 516 CE LYS A 44 -9.161 4.732 -3.739 1.00 0.00 C ATOM 517 NZ LYS A 44 -10.103 5.703 -4.300 1.00 0.00 N ATOM 0 H LYS A 44 -5.211 2.607 -5.474 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.476 5.443 -5.341 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.847 3.190 -3.392 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.217 4.835 -2.915 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.050 2.919 -4.418 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.240 3.464 -2.763 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.322 5.881 -3.850 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.701 5.009 -5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.486 3.725 -4.000 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.180 4.801 -2.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.057 5.513 -3.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.813 6.664 -4.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.109 5.622 -5.337 1.00 0.00 H new ATOM 531 N LEU A 45 -2.562 4.590 -5.778 1.00 0.00 N ATOM 532 CA LEU A 45 -1.130 4.831 -5.767 1.00 0.00 C ATOM 533 C LEU A 45 -0.338 4.800 -7.058 1.00 0.00 C ATOM 534 O LEU A 45 0.855 5.082 -7.150 1.00 0.00 O ATOM 535 CB LEU A 45 -0.506 4.025 -4.632 1.00 0.00 C ATOM 536 CG LEU A 45 0.895 4.502 -4.221 1.00 0.00 C ATOM 537 CD1 LEU A 45 0.799 5.936 -3.704 1.00 0.00 C ATOM 538 CD2 LEU A 45 1.286 3.565 -3.093 1.00 0.00 C ATOM 0 H LEU A 45 -2.832 3.912 -6.490 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.049 5.904 -5.593 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.163 4.071 -3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.448 2.979 -4.933 1.00 0.00 H new ATOM 0 HG LEU A 45 1.616 4.491 -5.039 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.789 6.284 -3.410 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.407 6.581 -4.491 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.132 5.968 -2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.280 3.828 -2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.567 3.655 -2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.293 2.538 -3.459 1.00 0.00 H new ATOM 550 N LYS A 46 -1.131 4.631 -8.118 1.00 0.00 N ATOM 551 CA LYS A 46 -0.814 4.440 -9.509 1.00 0.00 C ATOM 552 C LYS A 46 0.179 3.319 -9.801 1.00 0.00 C ATOM 553 O LYS A 46 1.018 3.522 -10.669 1.00 0.00 O ATOM 554 CB LYS A 46 -0.521 5.829 -10.099 1.00 0.00 C ATOM 555 CG LYS A 46 -1.555 6.918 -9.844 1.00 0.00 C ATOM 556 CD LYS A 46 -1.220 8.231 -10.537 1.00 0.00 C ATOM 557 CE LYS A 46 -2.130 9.328 -10.002 1.00 0.00 C ATOM 558 NZ LYS A 46 -2.215 10.435 -10.979 1.00 0.00 N ATOM 0 H LYS A 46 -2.143 4.627 -7.987 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.667 4.026 -10.046 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.436 6.170 -9.704 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.401 5.721 -11.177 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.531 6.572 -10.186 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.636 7.090 -8.771 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.176 8.491 -10.363 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.348 8.130 -11.615 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.124 8.925 -9.809 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.746 9.699 -9.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.838 11.180 -10.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.266 10.827 -11.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.601 10.077 -11.876 1.00 0.00 H new ATOM 572 N VAL A 47 0.188 2.156 -9.162 1.00 0.00 N ATOM 573 CA VAL A 47 1.056 0.992 -9.220 1.00 0.00 C ATOM 574 C VAL A 47 0.317 -0.313 -9.458 1.00 0.00 C ATOM 575 O VAL A 47 -0.901 -0.288 -9.569 1.00 0.00 O ATOM 576 CB VAL A 47 1.962 0.892 -8.004 1.00 0.00 C ATOM 577 CG1 VAL A 47 2.930 2.070 -7.856 1.00 0.00 C ATOM 578 CG2 VAL A 47 1.065 0.813 -6.776 1.00 0.00 C ATOM 0 H VAL A 47 -0.544 1.985 -8.473 1.00 0.00 H new ATOM 0 HA VAL A 47 1.682 1.152 -10.098 1.00 0.00 H new ATOM 0 HB VAL A 47 2.588 0.007 -8.120 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.543 1.928 -6.966 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.573 2.125 -8.735 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.364 2.997 -7.762 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.681 0.740 -5.880 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.446 1.709 -6.719 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.425 -0.066 -6.849 1.00 0.00 H new ATOM 588 N SER A 48 0.966 -1.487 -9.388 1.00 0.00 N ATOM 589 CA SER A 48 0.361 -2.789 -9.555 1.00 0.00 C ATOM 590 C SER A 48 0.091 -3.537 -8.241 1.00 0.00 C ATOM 591 O SER A 48 0.834 -3.284 -7.305 1.00 0.00 O ATOM 592 CB SER A 48 1.313 -3.676 -10.338 1.00 0.00 C ATOM 593 OG SER A 48 2.645 -3.627 -9.892 1.00 0.00 O ATOM 0 H SER A 48 1.968 -1.541 -9.205 1.00 0.00 H new ATOM 0 HA SER A 48 -0.590 -2.603 -10.053 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.961 -4.706 -10.282 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.282 -3.385 -11.388 1.00 0.00 H new ATOM 0 HG SER A 48 3.196 -4.223 -10.441 1.00 0.00 H new ATOM 599 N GLU A 49 -0.916 -4.417 -8.234 1.00 0.00 N ATOM 600 CA GLU A 49 -1.064 -5.387 -7.157 1.00 0.00 C ATOM 601 C GLU A 49 0.255 -6.098 -6.901 1.00 0.00 C ATOM 602 O GLU A 49 0.575 -6.594 -5.819 1.00 0.00 O ATOM 603 CB GLU A 49 -2.072 -6.389 -7.705 1.00 0.00 C ATOM 604 CG GLU A 49 -2.636 -7.355 -6.662 1.00 0.00 C ATOM 605 CD GLU A 49 -3.558 -8.382 -7.299 1.00 0.00 C ATOM 606 OE1 GLU A 49 -3.058 -9.038 -8.243 1.00 0.00 O ATOM 607 OE2 GLU A 49 -4.657 -8.614 -6.759 1.00 0.00 O ATOM 0 H GLU A 49 -1.632 -4.474 -8.958 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.374 -4.924 -6.220 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.898 -5.843 -8.160 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.597 -6.967 -8.498 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.817 -7.864 -6.155 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.182 -6.795 -5.903 1.00 0.00 H new ATOM 614 N ASN A 50 1.019 -6.272 -7.968 1.00 0.00 N ATOM 615 CA ASN A 50 2.232 -7.082 -7.973 1.00 0.00 C ATOM 616 C ASN A 50 3.343 -6.346 -7.247 1.00 0.00 C ATOM 617 O ASN A 50 4.132 -7.032 -6.616 1.00 0.00 O ATOM 618 CB ASN A 50 2.503 -7.266 -9.468 1.00 0.00 C ATOM 619 CG ASN A 50 3.402 -8.490 -9.588 1.00 0.00 C ATOM 620 OD1 ASN A 50 4.576 -8.531 -9.225 1.00 0.00 O ATOM 621 ND2 ASN A 50 2.817 -9.538 -10.180 1.00 0.00 N ATOM 0 H ASN A 50 0.812 -5.848 -8.872 1.00 0.00 H new ATOM 0 HA ASN A 50 2.151 -8.039 -7.458 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.573 -7.411 -10.018 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.987 -6.384 -9.887 1.00 0.00 H new ATOM 0 HD21 ASN A 50 3.347 -10.395 -10.339 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.842 -9.480 -10.472 1.00 0.00 H new ATOM 628 N ILE A 51 3.402 -5.012 -7.221 1.00 0.00 N ATOM 629 CA ILE A 51 4.339 -4.230 -6.449 1.00 0.00 C ATOM 630 C ILE A 51 4.074 -4.266 -4.934 1.00 0.00 C ATOM 631 O ILE A 51 4.920 -4.264 -4.050 1.00 0.00 O ATOM 632 CB ILE A 51 4.220 -2.811 -7.004 1.00 0.00 C ATOM 633 CG1 ILE A 51 5.215 -2.784 -8.166 1.00 0.00 C ATOM 634 CG2 ILE A 51 4.642 -1.675 -6.083 1.00 0.00 C ATOM 635 CD1 ILE A 51 5.121 -1.510 -8.998 1.00 0.00 C ATOM 0 H ILE A 51 2.764 -4.432 -7.766 1.00 0.00 H new ATOM 0 HA ILE A 51 5.345 -4.637 -6.546 1.00 0.00 H new ATOM 0 HB ILE A 51 3.166 -2.639 -7.223 1.00 0.00 H new ATOM 0 HG12 ILE A 51 6.227 -2.882 -7.773 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.038 -3.646 -8.809 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.509 -0.722 -6.596 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.029 -1.691 -5.182 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.690 -1.797 -5.811 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.851 -1.549 -9.807 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.119 -1.422 -9.417 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.326 -0.646 -8.365 1.00 0.00 H new ATOM 647 N VAL A 52 2.841 -4.067 -4.485 1.00 0.00 N ATOM 648 CA VAL A 52 2.230 -4.120 -3.164 1.00 0.00 C ATOM 649 C VAL A 52 2.433 -5.462 -2.495 1.00 0.00 C ATOM 650 O VAL A 52 3.082 -5.494 -1.443 1.00 0.00 O ATOM 651 CB VAL A 52 0.835 -3.521 -3.105 1.00 0.00 C ATOM 652 CG1 VAL A 52 0.970 -2.121 -3.689 1.00 0.00 C ATOM 653 CG2 VAL A 52 -0.241 -4.361 -3.794 1.00 0.00 C ATOM 0 H VAL A 52 2.123 -3.821 -5.166 1.00 0.00 H new ATOM 0 HA VAL A 52 2.780 -3.432 -2.522 1.00 0.00 H new ATOM 0 HB VAL A 52 0.478 -3.492 -2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.002 -1.627 -3.678 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.677 -1.544 -3.092 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.332 -2.188 -4.715 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.205 -3.861 -3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.010 -4.480 -4.848 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.295 -5.342 -3.321 1.00 0.00 H new ATOM 663 N LYS A 53 2.222 -6.609 -3.133 1.00 0.00 N ATOM 664 CA LYS A 53 2.778 -7.851 -2.616 1.00 0.00 C ATOM 665 C LYS A 53 4.290 -7.803 -2.431 1.00 0.00 C ATOM 666 O LYS A 53 4.775 -8.274 -1.402 1.00 0.00 O ATOM 667 CB LYS A 53 2.516 -8.965 -3.610 1.00 0.00 C ATOM 668 CG LYS A 53 1.036 -9.407 -3.591 1.00 0.00 C ATOM 669 CD LYS A 53 0.765 -10.600 -4.500 1.00 0.00 C ATOM 670 CE LYS A 53 1.147 -10.339 -5.949 1.00 0.00 C ATOM 671 NZ LYS A 53 0.602 -11.413 -6.797 1.00 0.00 N ATOM 0 H LYS A 53 1.681 -6.703 -3.992 1.00 0.00 H new ATOM 0 HA LYS A 53 2.303 -8.014 -1.649 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.783 -8.630 -4.612 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.154 -9.818 -3.378 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.750 -9.661 -2.570 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.408 -8.571 -3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.320 -11.463 -4.133 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.293 -10.856 -4.449 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.758 -9.373 -6.271 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.232 -10.296 -6.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.861 -11.238 -7.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.993 -12.327 -6.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.434 -11.433 -6.709 1.00 0.00 H new ATOM 685 N ARG A 54 5.069 -7.215 -3.338 1.00 0.00 N ATOM 686 CA ARG A 54 6.506 -7.081 -3.230 1.00 0.00 C ATOM 687 C ARG A 54 6.945 -6.346 -1.976 1.00 0.00 C ATOM 688 O ARG A 54 7.923 -6.815 -1.401 1.00 0.00 O ATOM 689 CB ARG A 54 7.180 -6.558 -4.498 1.00 0.00 C ATOM 690 CG ARG A 54 8.511 -7.250 -4.766 1.00 0.00 C ATOM 691 CD ARG A 54 8.915 -7.230 -6.240 1.00 0.00 C ATOM 692 NE ARG A 54 9.958 -8.168 -6.674 1.00 0.00 N ATOM 693 CZ ARG A 54 9.864 -9.458 -7.030 1.00 0.00 C ATOM 694 NH1 ARG A 54 8.692 -10.045 -6.817 1.00 0.00 N ATOM 695 NH2 ARG A 54 10.892 -10.142 -7.538 1.00 0.00 N ATOM 0 H ARG A 54 4.696 -6.807 -4.195 1.00 0.00 H new ATOM 0 HA ARG A 54 6.872 -8.102 -3.121 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.516 -6.708 -5.349 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.342 -5.484 -4.405 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.290 -6.766 -4.176 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.450 -8.284 -4.427 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.022 -7.422 -6.835 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.249 -6.221 -6.483 1.00 0.00 H new ATOM 0 HE ARG A 54 10.900 -7.778 -6.710 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.924 -9.516 -6.403 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.559 -11.025 -7.067 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.794 -9.684 -7.669 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.775 -11.122 -7.795 1.00 0.00 H new ATOM 709 N PHE A 55 6.212 -5.330 -1.525 1.00 0.00 N ATOM 710 CA PHE A 55 6.487 -4.655 -0.264 1.00 0.00 C ATOM 711 C PHE A 55 6.131 -5.547 0.926 1.00 0.00 C ATOM 712 O PHE A 55 6.923 -5.685 1.853 1.00 0.00 O ATOM 713 CB PHE A 55 5.618 -3.413 -0.206 1.00 0.00 C ATOM 714 CG PHE A 55 5.632 -2.347 -1.274 1.00 0.00 C ATOM 715 CD1 PHE A 55 6.598 -2.262 -2.301 1.00 0.00 C ATOM 716 CD2 PHE A 55 4.672 -1.343 -1.171 1.00 0.00 C ATOM 717 CE1 PHE A 55 6.612 -1.145 -3.138 1.00 0.00 C ATOM 718 CE2 PHE A 55 4.613 -0.295 -2.104 1.00 0.00 C ATOM 719 CZ PHE A 55 5.523 -0.255 -3.164 1.00 0.00 C ATOM 0 H PHE A 55 5.409 -4.953 -2.028 1.00 0.00 H new ATOM 0 HA PHE A 55 7.548 -4.412 -0.211 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.588 -3.760 -0.130 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.856 -2.913 0.733 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.319 -3.054 -2.437 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.960 -1.371 -0.359 1.00 0.00 H new ATOM 0 HE1 PHE A 55 7.467 -0.962 -3.772 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.866 0.478 -2.003 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.394 0.440 -3.980 1.00 0.00 H new ATOM 729 N GLU A 56 4.972 -6.197 0.875 1.00 0.00 N ATOM 730 CA GLU A 56 4.505 -7.032 1.969 1.00 0.00 C ATOM 731 C GLU A 56 5.397 -8.253 2.100 1.00 0.00 C ATOM 732 O GLU A 56 5.259 -8.885 3.148 1.00 0.00 O ATOM 733 CB GLU A 56 3.020 -7.337 1.845 1.00 0.00 C ATOM 734 CG GLU A 56 2.241 -7.505 3.150 1.00 0.00 C ATOM 735 CD GLU A 56 0.760 -7.848 3.062 1.00 0.00 C ATOM 736 OE1 GLU A 56 0.446 -8.979 2.634 1.00 0.00 O ATOM 737 OE2 GLU A 56 -0.066 -6.984 3.423 1.00 0.00 O ATOM 0 H GLU A 56 4.336 -6.158 0.078 1.00 0.00 H new ATOM 0 HA GLU A 56 4.590 -6.490 2.911 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.555 -6.535 1.272 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.908 -8.251 1.262 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.730 -8.286 3.732 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.336 -6.579 3.716 1.00 0.00 H new ATOM 744 N SER A 57 6.276 -8.642 1.171 1.00 0.00 N ATOM 745 CA SER A 57 7.223 -9.747 1.241 1.00 0.00 C ATOM 746 C SER A 57 8.632 -9.255 1.524 1.00 0.00 C ATOM 747 O SER A 57 9.520 -10.109 1.614 1.00 0.00 O ATOM 748 CB SER A 57 7.259 -10.494 -0.096 1.00 0.00 C ATOM 749 OG SER A 57 7.435 -9.593 -1.149 1.00 0.00 O ATOM 0 H SER A 57 6.345 -8.149 0.281 1.00 0.00 H new ATOM 0 HA SER A 57 6.892 -10.401 2.048 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.070 -11.222 -0.092 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.332 -11.050 -0.235 1.00 0.00 H new ATOM 0 HG SER A 57 6.573 -9.189 -1.381 1.00 0.00 H new ATOM 755 N GLY A 58 8.915 -7.963 1.688 1.00 0.00 N ATOM 756 CA GLY A 58 10.231 -7.446 2.000 1.00 0.00 C ATOM 757 C GLY A 58 11.163 -7.234 0.807 1.00 0.00 C ATOM 758 O GLY A 58 12.254 -6.716 0.997 1.00 0.00 O ATOM 0 H GLY A 58 8.208 -7.232 1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.113 -6.494 2.518 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.714 -8.131 2.697 1.00 0.00 H new ATOM 762 N LYS A 59 10.692 -7.407 -0.436 1.00 0.00 N ATOM 763 CA LYS A 59 11.521 -7.519 -1.630 1.00 0.00 C ATOM 764 C LYS A 59 11.747 -6.215 -2.379 1.00 0.00 C ATOM 765 O LYS A 59 12.597 -6.171 -3.258 1.00 0.00 O ATOM 766 CB LYS A 59 10.790 -8.512 -2.527 1.00 0.00 C ATOM 767 CG LYS A 59 10.834 -9.907 -1.894 1.00 0.00 C ATOM 768 CD LYS A 59 10.201 -10.890 -2.879 1.00 0.00 C ATOM 769 CE LYS A 59 10.398 -12.339 -2.442 1.00 0.00 C ATOM 770 NZ LYS A 59 9.994 -13.295 -3.486 1.00 0.00 N ATOM 0 H LYS A 59 9.694 -7.474 -0.637 1.00 0.00 H new ATOM 0 HA LYS A 59 12.523 -7.834 -1.338 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.756 -8.198 -2.667 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.253 -8.535 -3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.862 -10.195 -1.676 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.293 -9.914 -0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.135 -10.679 -2.968 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.638 -10.746 -3.867 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.446 -12.501 -2.189 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.819 -12.526 -1.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.145 -14.266 -3.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.987 -13.160 -3.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.563 -13.136 -4.342 1.00 0.00 H new ATOM 784 N LEU A 60 10.844 -5.281 -2.061 1.00 0.00 N ATOM 785 CA LEU A 60 10.717 -3.971 -2.672 1.00 0.00 C ATOM 786 C LEU A 60 10.285 -2.964 -1.607 1.00 0.00 C ATOM 787 O LEU A 60 9.734 -3.315 -0.571 1.00 0.00 O ATOM 788 CB LEU A 60 9.824 -4.041 -3.920 1.00 0.00 C ATOM 789 CG LEU A 60 9.833 -2.784 -4.774 1.00 0.00 C ATOM 790 CD1 LEU A 60 11.237 -2.567 -5.346 1.00 0.00 C ATOM 791 CD2 LEU A 60 8.840 -3.039 -5.909 1.00 0.00 C ATOM 0 H LEU A 60 10.149 -5.436 -1.330 1.00 0.00 H new ATOM 0 HA LEU A 60 11.675 -3.614 -3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.144 -4.884 -4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.800 -4.245 -3.607 1.00 0.00 H new ATOM 0 HG LEU A 60 9.561 -1.899 -4.199 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.245 -1.666 -5.959 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.950 -2.456 -4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.517 -3.424 -5.958 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.801 -2.167 -6.561 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.160 -3.908 -6.484 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.850 -3.224 -5.492 1.00 0.00 H new ATOM 803 N LYS A 61 10.467 -1.665 -1.856 1.00 0.00 N ATOM 804 CA LYS A 61 9.937 -0.621 -1.011 1.00 0.00 C ATOM 805 C LYS A 61 9.254 0.492 -1.801 1.00 0.00 C ATOM 806 O LYS A 61 9.754 0.752 -2.896 1.00 0.00 O ATOM 807 CB LYS A 61 11.204 -0.090 -0.346 1.00 0.00 C ATOM 808 CG LYS A 61 11.064 0.882 0.829 1.00 0.00 C ATOM 809 CD LYS A 61 12.260 1.207 1.706 1.00 0.00 C ATOM 810 CE LYS A 61 12.053 2.401 2.627 1.00 0.00 C ATOM 811 NZ LYS A 61 13.217 2.661 3.491 1.00 0.00 N ATOM 0 H LYS A 61 10.992 -1.318 -2.659 1.00 0.00 H new ATOM 0 HA LYS A 61 9.169 -0.984 -0.328 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.780 -0.948 0.001 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.799 0.403 -1.114 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.696 1.825 0.425 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.284 0.489 1.481 1.00 0.00 H new ATOM 0 HD2 LYS A 61 12.501 0.333 2.311 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.122 1.400 1.068 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.847 3.287 2.026 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.175 2.227 3.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.023 3.484 4.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.401 1.828 4.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.051 2.855 2.901 1.00 0.00 H new ATOM 825 N PRO A 62 8.262 1.248 -1.323 1.00 0.00 N ATOM 826 CA PRO A 62 7.722 2.445 -1.941 1.00 0.00 C ATOM 827 C PRO A 62 8.815 3.506 -1.995 1.00 0.00 C ATOM 828 O PRO A 62 9.843 3.427 -1.331 1.00 0.00 O ATOM 829 CB PRO A 62 6.416 2.667 -1.186 1.00 0.00 C ATOM 830 CG PRO A 62 6.589 1.977 0.158 1.00 0.00 C ATOM 831 CD PRO A 62 7.614 0.868 -0.093 1.00 0.00 C ATOM 0 HA PRO A 62 7.445 2.425 -2.995 1.00 0.00 H new ATOM 0 HB2 PRO A 62 6.216 3.731 -1.056 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.572 2.248 -1.734 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.941 2.675 0.917 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.644 1.567 0.516 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.329 0.795 0.726 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.132 -0.105 -0.183 1.00 0.00 H new ATOM 839 N THR A 63 8.606 4.599 -2.742 1.00 0.00 N ATOM 840 CA THR A 63 9.421 5.804 -2.800 1.00 0.00 C ATOM 841 C THR A 63 8.872 6.880 -1.892 1.00 0.00 C ATOM 842 O THR A 63 8.011 6.660 -1.048 1.00 0.00 O ATOM 843 CB THR A 63 9.372 6.291 -4.249 1.00 0.00 C ATOM 844 OG1 THR A 63 8.002 6.548 -4.449 1.00 0.00 O ATOM 845 CG2 THR A 63 9.879 5.279 -5.269 1.00 0.00 C ATOM 0 H THR A 63 7.801 4.661 -3.365 1.00 0.00 H new ATOM 0 HA THR A 63 10.438 5.588 -2.473 1.00 0.00 H new ATOM 0 HB THR A 63 10.026 7.151 -4.395 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.860 6.872 -5.363 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.809 5.705 -6.270 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.918 5.032 -5.051 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.273 4.375 -5.217 1.00 0.00 H new ATOM 853 N ILE A 64 9.541 8.047 -1.836 1.00 0.00 N ATOM 854 CA ILE A 64 9.250 9.173 -0.968 1.00 0.00 C ATOM 855 C ILE A 64 7.906 9.850 -1.224 1.00 0.00 C ATOM 856 O ILE A 64 7.164 9.852 -0.242 1.00 0.00 O ATOM 857 CB ILE A 64 10.432 10.137 -1.009 1.00 0.00 C ATOM 858 CG1 ILE A 64 10.816 10.722 -2.359 1.00 0.00 C ATOM 859 CG2 ILE A 64 11.577 9.432 -0.275 1.00 0.00 C ATOM 860 CD1 ILE A 64 11.858 11.816 -2.176 1.00 0.00 C ATOM 0 H ILE A 64 10.345 8.226 -2.437 1.00 0.00 H new ATOM 0 HA ILE A 64 9.129 8.790 0.045 1.00 0.00 H new ATOM 0 HB ILE A 64 10.138 11.061 -0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 64 11.210 9.938 -3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 64 9.933 11.128 -2.853 1.00 0.00 H new ATOM 0 HG21 ILE A 64 12.457 10.075 -0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 64 11.276 9.221 0.751 1.00 0.00 H new ATOM 0 HG23 ILE A 64 11.814 8.497 -0.783 1.00 0.00 H new ATOM 0 HD11 ILE A 64 12.127 12.229 -3.148 1.00 0.00 H new ATOM 0 HD12 ILE A 64 11.449 12.606 -1.547 1.00 0.00 H new ATOM 0 HD13 ILE A 64 12.746 11.397 -1.702 1.00 0.00 H new ATOM 872 N SER A 65 7.564 10.359 -2.407 1.00 0.00 N ATOM 873 CA SER A 65 6.230 10.762 -2.761 1.00 0.00 C ATOM 874 C SER A 65 5.212 9.659 -2.492 1.00 0.00 C ATOM 875 O SER A 65 4.062 9.962 -2.170 1.00 0.00 O ATOM 876 CB SER A 65 6.145 11.244 -4.211 1.00 0.00 C ATOM 877 OG SER A 65 6.493 10.121 -4.990 1.00 0.00 O ATOM 0 H SER A 65 8.238 10.501 -3.159 1.00 0.00 H new ATOM 0 HA SER A 65 5.979 11.606 -2.118 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.142 11.596 -4.452 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.826 12.076 -4.391 1.00 0.00 H new ATOM 0 HG SER A 65 6.458 10.358 -5.940 1.00 0.00 H new ATOM 883 N GLN A 66 5.549 8.360 -2.557 1.00 0.00 N ATOM 884 CA GLN A 66 4.641 7.263 -2.347 1.00 0.00 C ATOM 885 C GLN A 66 4.424 7.072 -0.843 1.00 0.00 C ATOM 886 O GLN A 66 3.291 7.199 -0.407 1.00 0.00 O ATOM 887 CB GLN A 66 5.049 5.931 -2.975 1.00 0.00 C ATOM 888 CG GLN A 66 4.892 5.976 -4.491 1.00 0.00 C ATOM 889 CD GLN A 66 5.223 4.706 -5.255 1.00 0.00 C ATOM 890 OE1 GLN A 66 5.757 3.710 -4.778 1.00 0.00 O ATOM 891 NE2 GLN A 66 4.688 4.597 -6.481 1.00 0.00 N ATOM 0 H GLN A 66 6.499 8.054 -2.766 1.00 0.00 H new ATOM 0 HA GLN A 66 3.724 7.547 -2.863 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.084 5.705 -2.719 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.436 5.128 -2.565 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.861 6.249 -4.717 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.525 6.777 -4.874 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.235 5.402 -6.913 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.735 3.709 -6.981 1.00 0.00 H new ATOM 900 N ALA A 67 5.469 6.932 -0.019 1.00 0.00 N ATOM 901 CA ALA A 67 5.595 7.075 1.416 1.00 0.00 C ATOM 902 C ALA A 67 4.762 8.302 1.758 1.00 0.00 C ATOM 903 O ALA A 67 3.954 8.226 2.673 1.00 0.00 O ATOM 904 CB ALA A 67 7.059 7.133 1.829 1.00 0.00 C ATOM 0 H ALA A 67 6.373 6.678 -0.416 1.00 0.00 H new ATOM 0 HA ALA A 67 5.221 6.222 1.982 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.128 7.241 2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.560 6.215 1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.539 7.985 1.349 1.00 0.00 H new ATOM 910 N ARG A 68 4.830 9.443 1.051 1.00 0.00 N ATOM 911 CA ARG A 68 4.050 10.625 1.355 1.00 0.00 C ATOM 912 C ARG A 68 2.553 10.377 1.226 1.00 0.00 C ATOM 913 O ARG A 68 1.710 10.845 1.990 1.00 0.00 O ATOM 914 CB ARG A 68 4.392 11.778 0.413 1.00 0.00 C ATOM 915 CG ARG A 68 4.258 13.221 0.886 1.00 0.00 C ATOM 916 CD ARG A 68 5.395 13.610 1.831 1.00 0.00 C ATOM 917 NE ARG A 68 6.668 13.608 1.095 1.00 0.00 N ATOM 918 CZ ARG A 68 7.719 12.795 1.243 1.00 0.00 C ATOM 919 NH1 ARG A 68 7.707 11.795 2.135 1.00 0.00 N ATOM 920 NH2 ARG A 68 8.890 12.989 0.618 1.00 0.00 N ATOM 0 H ARG A 68 5.442 9.558 0.243 1.00 0.00 H new ATOM 0 HA ARG A 68 4.299 10.878 2.385 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.424 11.638 0.092 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.765 11.669 -0.472 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.256 13.888 0.024 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.302 13.351 1.393 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.209 14.597 2.254 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.444 12.910 2.665 1.00 0.00 H new ATOM 0 HE ARG A 68 6.762 14.324 0.374 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.884 11.642 2.718 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.520 11.187 2.231 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.009 13.788 -0.005 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.661 12.338 0.766 1.00 0.00 H new ATOM 934 N GLN A 69 2.172 9.623 0.199 1.00 0.00 N ATOM 935 CA GLN A 69 0.813 9.226 -0.098 1.00 0.00 C ATOM 936 C GLN A 69 0.225 8.072 0.697 1.00 0.00 C ATOM 937 O GLN A 69 -0.983 8.097 0.916 1.00 0.00 O ATOM 938 CB GLN A 69 0.770 8.973 -1.600 1.00 0.00 C ATOM 939 CG GLN A 69 0.791 10.218 -2.487 1.00 0.00 C ATOM 940 CD GLN A 69 1.126 9.901 -3.938 1.00 0.00 C ATOM 941 OE1 GLN A 69 0.305 9.511 -4.773 1.00 0.00 O ATOM 942 NE2 GLN A 69 2.371 9.885 -4.406 1.00 0.00 N ATOM 0 H GLN A 69 2.842 9.258 -0.478 1.00 0.00 H new ATOM 0 HA GLN A 69 0.160 10.037 0.223 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.620 8.345 -1.868 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.131 8.403 -1.827 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.182 10.708 -2.442 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.522 10.925 -2.096 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.143 10.185 -3.811 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.553 9.573 -5.360 1.00 0.00 H new ATOM 951 N LEU A 70 0.957 6.993 0.992 1.00 0.00 N ATOM 952 CA LEU A 70 0.630 6.043 2.048 1.00 0.00 C ATOM 953 C LEU A 70 0.214 6.694 3.357 1.00 0.00 C ATOM 954 O LEU A 70 -0.796 6.210 3.880 1.00 0.00 O ATOM 955 CB LEU A 70 1.805 5.148 2.448 1.00 0.00 C ATOM 956 CG LEU A 70 2.425 4.303 1.346 1.00 0.00 C ATOM 957 CD1 LEU A 70 3.613 3.526 1.913 1.00 0.00 C ATOM 958 CD2 LEU A 70 1.509 3.297 0.662 1.00 0.00 C ATOM 0 H LEU A 70 1.812 6.755 0.489 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.187 5.480 1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.585 5.780 2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.469 4.480 3.241 1.00 0.00 H new ATOM 0 HG LEU A 70 2.700 5.029 0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.060 2.919 1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.355 4.226 2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.272 2.879 2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.068 2.758 -0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.129 2.590 1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.673 3.822 0.199 1.00 0.00 H new ATOM 970 N GLU A 71 0.899 7.711 3.887 1.00 0.00 N ATOM 971 CA GLU A 71 0.487 8.316 5.139 1.00 0.00 C ATOM 972 C GLU A 71 -0.959 8.769 4.971 1.00 0.00 C ATOM 973 O GLU A 71 -1.701 8.613 5.954 1.00 0.00 O ATOM 974 CB GLU A 71 1.451 9.452 5.471 1.00 0.00 C ATOM 975 CG GLU A 71 2.779 8.928 6.010 1.00 0.00 C ATOM 976 CD GLU A 71 3.578 9.974 6.768 1.00 0.00 C ATOM 977 OE1 GLU A 71 4.119 10.920 6.139 1.00 0.00 O ATOM 978 OE2 GLU A 71 3.640 10.062 8.008 1.00 0.00 O ATOM 0 H GLU A 71 1.732 8.124 3.467 1.00 0.00 H new ATOM 0 HA GLU A 71 0.523 7.622 5.979 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.632 10.049 4.577 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.995 10.112 6.208 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.586 8.081 6.669 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.378 8.556 5.179 1.00 0.00 H new ATOM 985 N LYS A 72 -1.269 9.369 3.830 1.00 0.00 N ATOM 986 CA LYS A 72 -2.525 9.923 3.373 1.00 0.00 C ATOM 987 C LYS A 72 -3.530 8.997 2.710 1.00 0.00 C ATOM 988 O LYS A 72 -4.666 9.329 2.390 1.00 0.00 O ATOM 989 CB LYS A 72 -2.148 11.077 2.453 1.00 0.00 C ATOM 990 CG LYS A 72 -1.783 12.405 3.111 1.00 0.00 C ATOM 991 CD LYS A 72 -0.844 12.479 4.305 1.00 0.00 C ATOM 992 CE LYS A 72 -0.572 13.881 4.851 1.00 0.00 C ATOM 993 NZ LYS A 72 0.750 13.988 5.480 1.00 0.00 N ATOM 0 H LYS A 72 -0.550 9.491 3.117 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.083 10.212 4.264 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.303 10.759 1.842 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.983 11.254 1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.352 13.034 2.332 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.719 12.872 3.417 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.260 11.871 5.108 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.108 12.028 4.024 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.645 14.605 4.039 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.340 14.140 5.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.888 14.956 5.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.813 13.317 6.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.487 13.767 4.780 1.00 0.00 H new ATOM 1007 N ILE A 73 -3.236 7.715 2.456 1.00 0.00 N ATOM 1008 CA ILE A 73 -3.977 6.858 1.552 1.00 0.00 C ATOM 1009 C ILE A 73 -5.309 6.340 2.055 1.00 0.00 C ATOM 1010 O ILE A 73 -6.251 6.037 1.320 1.00 0.00 O ATOM 1011 CB ILE A 73 -3.138 5.657 1.101 1.00 0.00 C ATOM 1012 CG1 ILE A 73 -3.532 5.056 -0.235 1.00 0.00 C ATOM 1013 CG2 ILE A 73 -2.827 4.591 2.152 1.00 0.00 C ATOM 1014 CD1 ILE A 73 -2.381 4.390 -1.004 1.00 0.00 C ATOM 0 H ILE A 73 -2.447 7.240 2.895 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.202 7.528 0.722 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.179 6.149 0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.315 4.317 -0.068 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.961 5.840 -0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.228 3.799 1.701 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.272 5.042 2.975 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.759 4.170 2.530 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.756 3.989 -1.946 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.605 5.128 -1.207 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.964 3.580 -0.405 1.00 0.00 H new ATOM 1026 N LEU A 74 -5.503 6.102 3.362 1.00 0.00 N ATOM 1027 CA LEU A 74 -6.620 5.542 4.088 1.00 0.00 C ATOM 1028 C LEU A 74 -7.409 6.581 4.851 1.00 0.00 C ATOM 1029 O LEU A 74 -8.413 6.304 5.510 1.00 0.00 O ATOM 1030 CB LEU A 74 -6.198 4.493 5.110 1.00 0.00 C ATOM 1031 CG LEU A 74 -5.358 3.337 4.579 1.00 0.00 C ATOM 1032 CD1 LEU A 74 -4.971 2.571 5.839 1.00 0.00 C ATOM 1033 CD2 LEU A 74 -5.847 2.612 3.326 1.00 0.00 C ATOM 0 H LEU A 74 -4.758 6.340 4.017 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.233 5.093 3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.636 4.991 5.900 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -7.097 4.081 5.569 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.455 3.657 4.060 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.359 1.711 5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.405 3.225 6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.872 2.229 6.348 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.148 1.816 3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.831 2.183 3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.911 3.319 2.499 1.00 0.00 H new ATOM 1045 N GLY A 75 -6.974 7.837 4.931 1.00 0.00 N ATOM 1046 CA GLY A 75 -7.183 8.839 5.953 1.00 0.00 C ATOM 1047 C GLY A 75 -6.632 8.416 7.312 1.00 0.00 C ATOM 1048 O GLY A 75 -6.641 9.239 8.227 1.00 0.00 O ATOM 0 H GLY A 75 -6.394 8.214 4.181 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.707 9.770 5.646 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.250 9.042 6.045 1.00 0.00 H new ATOM 1052 N ILE A 76 -6.432 7.114 7.540 1.00 0.00 N ATOM 1053 CA ILE A 76 -6.072 6.546 8.821 1.00 0.00 C ATOM 1054 C ILE A 76 -4.906 5.578 8.839 1.00 0.00 C ATOM 1055 O ILE A 76 -4.047 5.484 7.956 1.00 0.00 O ATOM 1056 CB ILE A 76 -7.299 5.824 9.389 1.00 0.00 C ATOM 1057 CG1 ILE A 76 -7.726 4.611 8.573 1.00 0.00 C ATOM 1058 CG2 ILE A 76 -8.488 6.776 9.535 1.00 0.00 C ATOM 1059 CD1 ILE A 76 -8.477 3.530 9.356 1.00 0.00 C ATOM 0 H ILE A 76 -6.522 6.412 6.806 1.00 0.00 H new ATOM 0 HA ILE A 76 -5.740 7.396 9.417 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.988 5.465 10.370 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.359 4.949 7.753 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -6.838 4.163 8.126 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.342 6.233 9.940 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.222 7.589 10.210 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -8.749 7.185 8.559 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.737 2.710 8.686 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.842 3.156 10.159 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -9.387 3.954 9.780 1.00 0.00 H new ATOM 1071 N LYS A 77 -4.788 4.768 9.901 1.00 0.00 N ATOM 1072 CA LYS A 77 -3.702 3.882 10.228 1.00 0.00 C ATOM 1073 C LYS A 77 -4.115 3.109 11.467 1.00 0.00 C ATOM 1074 O LYS A 77 -5.223 3.293 11.961 1.00 0.00 O ATOM 1075 CB LYS A 77 -2.420 4.683 10.373 1.00 0.00 C ATOM 1076 CG LYS A 77 -2.408 5.876 11.324 1.00 0.00 C ATOM 1077 CD LYS A 77 -1.076 6.633 11.390 1.00 0.00 C ATOM 1078 CE LYS A 77 -1.145 8.110 11.781 1.00 0.00 C ATOM 1079 NZ LYS A 77 -1.915 8.914 10.806 1.00 0.00 N ATOM 0 H LYS A 77 -5.525 4.725 10.605 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.493 3.155 9.443 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.635 3.997 10.693 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.143 5.046 9.383 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -3.190 6.572 11.021 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.661 5.527 12.325 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.429 6.122 12.103 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.595 6.561 10.415 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.603 8.202 12.766 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.134 8.510 11.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.740 9.925 10.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.617 8.668 9.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.930 8.715 10.917 1.00 0.00 H new ATOM 1093 N LEU A 78 -3.327 2.144 11.961 1.00 0.00 N ATOM 1094 CA LEU A 78 -2.987 1.842 13.333 1.00 0.00 C ATOM 1095 C LEU A 78 -3.792 0.610 13.725 1.00 0.00 C ATOM 1096 O LEU A 78 -3.273 -0.375 14.226 1.00 0.00 O ATOM 1097 CB LEU A 78 -3.057 3.046 14.272 1.00 0.00 C ATOM 1098 CG LEU A 78 -2.690 2.673 15.700 1.00 0.00 C ATOM 1099 CD1 LEU A 78 -1.301 2.098 15.982 1.00 0.00 C ATOM 1100 CD2 LEU A 78 -2.898 3.909 16.564 1.00 0.00 C ATOM 0 H LEU A 78 -2.868 1.491 11.326 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.930 1.597 13.434 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.383 3.824 13.915 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.064 3.463 14.253 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.344 1.832 15.931 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.204 1.887 17.047 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.167 1.176 15.416 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.541 2.820 15.684 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.643 3.677 17.598 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.259 4.716 16.205 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.941 4.221 16.508 1.00 0.00 H new