USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 737 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 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 80 TYR OH : rot -54:sc= 0.0361 USER MOD Single : A 19 ASN : amide:sc= 0.553 K(o=0.55,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0409 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0315 X(o=-0.032,f=-0.012) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0471 USER MOD Single : A 52 GLN : amide:sc= 0.353 X(o=0.35,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 151:sc= 0.00975 (180deg=-0.197) USER MOD Single : A 55 LYS NZ :NH3+ -126:sc= 0.154 (180deg=-1.24) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.0286 X(o=-0.029,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.0461 K(o=-0.046,f=-1.4!) USER MOD Single : A 78 HIS : no HD1:sc= 0.34 K(o=0.34,f=-6!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.00046) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot -17:sc= 0.104 USER MOD Single : A 92 THR OG1 : rot 73:sc= 0.326 USER MOD ----------------------------------------------------------------- ATOM 117 N PHE A 8 -9.893 11.258 -4.783 1.00 0.00 N ATOM 118 CA PHE A 8 -9.248 11.393 -3.475 1.00 0.00 C ATOM 119 C PHE A 8 -7.978 10.548 -3.373 1.00 0.00 C ATOM 120 O PHE A 8 -7.211 10.684 -2.419 1.00 0.00 O ATOM 121 CB PHE A 8 -10.227 11.002 -2.363 1.00 0.00 C ATOM 122 CG PHE A 8 -11.305 12.024 -2.133 1.00 0.00 C ATOM 123 CD1 PHE A 8 -11.117 13.060 -1.231 1.00 0.00 C ATOM 124 CD2 PHE A 8 -12.502 11.952 -2.825 1.00 0.00 C ATOM 125 CE1 PHE A 8 -12.106 14.005 -1.027 1.00 0.00 C ATOM 126 CE2 PHE A 8 -13.493 12.893 -2.626 1.00 0.00 C ATOM 127 CZ PHE A 8 -13.295 13.921 -1.726 1.00 0.00 C ATOM 0 HA PHE A 8 -8.959 12.438 -3.358 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.689 10.047 -2.614 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.673 10.854 -1.436 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -10.189 13.130 -0.682 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -12.663 11.149 -3.530 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -11.949 14.808 -0.322 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -14.421 12.825 -3.174 1.00 0.00 H new ATOM 0 HZ PHE A 8 -14.068 14.658 -1.569 1.00 0.00 H new ATOM 137 N LEU A 9 -7.753 9.687 -4.363 1.00 0.00 N ATOM 138 CA LEU A 9 -6.578 8.813 -4.376 1.00 0.00 C ATOM 139 C LEU A 9 -5.272 9.558 -4.720 1.00 0.00 C ATOM 140 O LEU A 9 -4.274 9.380 -4.022 1.00 0.00 O ATOM 141 CB LEU A 9 -6.780 7.649 -5.350 1.00 0.00 C ATOM 142 CG LEU A 9 -6.109 6.336 -4.936 1.00 0.00 C ATOM 143 CD1 LEU A 9 -6.992 5.564 -3.968 1.00 0.00 C ATOM 144 CD2 LEU A 9 -5.795 5.488 -6.161 1.00 0.00 C ATOM 0 H LEU A 9 -8.369 9.574 -5.168 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.473 8.431 -3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.849 7.473 -5.465 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.398 7.942 -6.328 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.173 6.575 -4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.497 4.635 -3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.168 6.166 -3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.945 5.337 -4.446 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.319 4.559 -5.848 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.719 5.261 -6.693 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.122 6.036 -6.820 1.00 0.00 H new ATOM 156 N PRO A 10 -5.240 10.396 -5.791 1.00 0.00 N ATOM 157 CA PRO A 10 -4.021 11.125 -6.182 1.00 0.00 C ATOM 158 C PRO A 10 -3.568 12.155 -5.142 1.00 0.00 C ATOM 159 O PRO A 10 -2.450 12.667 -5.218 1.00 0.00 O ATOM 160 CB PRO A 10 -4.413 11.835 -7.490 1.00 0.00 C ATOM 161 CG PRO A 10 -5.671 11.179 -7.940 1.00 0.00 C ATOM 162 CD PRO A 10 -6.359 10.702 -6.698 1.00 0.00 C ATOM 0 HA PRO A 10 -3.178 10.441 -6.283 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.564 12.902 -7.327 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.629 11.735 -8.240 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.300 11.879 -8.490 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.458 10.347 -8.611 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.017 11.466 -6.283 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -6.974 9.823 -6.890 1.00 0.00 H new ATOM 170 N GLU A 11 -4.431 12.448 -4.172 1.00 0.00 N ATOM 171 CA GLU A 11 -4.112 13.418 -3.128 1.00 0.00 C ATOM 172 C GLU A 11 -3.404 12.757 -1.942 1.00 0.00 C ATOM 173 O GLU A 11 -2.454 13.312 -1.390 1.00 0.00 O ATOM 174 CB GLU A 11 -5.390 14.117 -2.656 1.00 0.00 C ATOM 175 CG GLU A 11 -5.960 15.097 -3.673 1.00 0.00 C ATOM 176 CD GLU A 11 -5.235 16.429 -3.679 1.00 0.00 C ATOM 177 OE1 GLU A 11 -5.637 17.327 -2.910 1.00 0.00 O ATOM 178 OE2 GLU A 11 -4.265 16.576 -4.455 1.00 0.00 O ATOM 0 H GLU A 11 -5.356 12.028 -4.087 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.431 14.155 -3.552 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.144 13.363 -2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.181 14.650 -1.728 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.904 14.654 -4.667 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.015 15.264 -3.457 1.00 0.00 H new ATOM 185 N ILE A 12 -3.867 11.567 -1.564 1.00 0.00 N ATOM 186 CA ILE A 12 -3.283 10.832 -0.442 1.00 0.00 C ATOM 187 C ILE A 12 -1.964 10.161 -0.831 1.00 0.00 C ATOM 188 O ILE A 12 -1.082 9.978 0.010 1.00 0.00 O ATOM 189 CB ILE A 12 -4.254 9.763 0.124 1.00 0.00 C ATOM 190 CG1 ILE A 12 -4.881 8.935 -1.000 1.00 0.00 C ATOM 191 CG2 ILE A 12 -5.343 10.424 0.955 1.00 0.00 C ATOM 192 CD1 ILE A 12 -4.269 7.559 -1.158 1.00 0.00 C ATOM 0 H ILE A 12 -4.646 11.090 -2.018 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.090 11.572 0.335 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.678 9.092 0.761 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.949 8.828 -0.808 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.779 9.478 -1.939 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.016 9.661 1.345 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.889 10.966 1.785 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.905 11.119 0.331 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.765 7.032 -1.973 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.207 7.657 -1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.395 6.997 -0.233 1.00 0.00 H new ATOM 204 N LEU A 13 -1.847 9.786 -2.109 1.00 0.00 N ATOM 205 CA LEU A 13 -0.649 9.121 -2.625 1.00 0.00 C ATOM 206 C LEU A 13 0.606 9.984 -2.455 1.00 0.00 C ATOM 207 O LEU A 13 1.697 9.462 -2.247 1.00 0.00 O ATOM 208 CB LEU A 13 -0.838 8.764 -4.104 1.00 0.00 C ATOM 209 CG LEU A 13 -1.630 7.478 -4.367 1.00 0.00 C ATOM 210 CD1 LEU A 13 -2.224 7.488 -5.766 1.00 0.00 C ATOM 211 CD2 LEU A 13 -0.754 6.250 -4.177 1.00 0.00 C ATOM 0 H LEU A 13 -2.574 9.934 -2.809 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.507 8.210 -2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.345 9.592 -4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.144 8.668 -4.567 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.444 7.434 -3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.782 6.566 -5.931 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.894 8.341 -5.871 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.423 7.564 -6.501 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.340 5.352 -4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.086 6.291 -4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.378 6.226 -3.154 1.00 0.00 H new ATOM 223 N ALA A 14 0.445 11.303 -2.539 1.00 0.00 N ATOM 224 CA ALA A 14 1.569 12.228 -2.396 1.00 0.00 C ATOM 225 C ALA A 14 2.163 12.168 -0.989 1.00 0.00 C ATOM 226 O ALA A 14 3.383 12.164 -0.818 1.00 0.00 O ATOM 227 CB ALA A 14 1.120 13.646 -2.723 1.00 0.00 C ATOM 0 H ALA A 14 -0.453 11.756 -2.705 1.00 0.00 H new ATOM 0 HA ALA A 14 2.348 11.929 -3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.963 14.329 -2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.752 13.684 -3.748 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.323 13.942 -2.041 1.00 0.00 H new ATOM 233 N GLU A 15 1.286 12.119 0.013 1.00 0.00 N ATOM 234 CA GLU A 15 1.706 12.063 1.413 1.00 0.00 C ATOM 235 C GLU A 15 2.235 10.682 1.821 1.00 0.00 C ATOM 236 O GLU A 15 2.861 10.547 2.872 1.00 0.00 O ATOM 237 CB GLU A 15 0.540 12.448 2.326 1.00 0.00 C ATOM 238 CG GLU A 15 0.210 13.933 2.317 1.00 0.00 C ATOM 239 CD GLU A 15 -0.956 14.273 3.225 1.00 0.00 C ATOM 240 OE1 GLU A 15 -2.113 14.188 2.763 1.00 0.00 O ATOM 241 OE2 GLU A 15 -0.712 14.619 4.400 1.00 0.00 O ATOM 0 H GLU A 15 0.275 12.117 -0.120 1.00 0.00 H new ATOM 0 HA GLU A 15 2.526 12.773 1.523 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.345 11.888 2.023 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.776 12.145 3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.087 14.499 2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.024 14.244 1.299 1.00 0.00 H new ATOM 248 N ILE A 16 1.995 9.657 1.001 1.00 0.00 N ATOM 249 CA ILE A 16 2.452 8.306 1.337 1.00 0.00 C ATOM 250 C ILE A 16 3.849 8.006 0.780 1.00 0.00 C ATOM 251 O ILE A 16 4.586 7.217 1.359 1.00 0.00 O ATOM 252 CB ILE A 16 1.454 7.209 0.871 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.697 5.906 1.641 1.00 0.00 C ATOM 254 CG2 ILE A 16 1.566 6.960 -0.625 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.434 5.133 1.955 1.00 0.00 C ATOM 0 H ILE A 16 1.496 9.732 0.115 1.00 0.00 H new ATOM 0 HA ILE A 16 2.504 8.281 2.425 1.00 0.00 H new ATOM 0 HB ILE A 16 0.445 7.565 1.081 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.364 5.271 1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.211 6.138 2.574 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.855 6.188 -0.920 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.345 7.881 -1.165 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.578 6.632 -0.865 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.690 4.225 2.501 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.227 5.749 2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.071 4.868 1.026 1.00 0.00 H new ATOM 267 N ILE A 17 4.227 8.637 -0.331 1.00 0.00 N ATOM 268 CA ILE A 17 5.544 8.391 -0.922 1.00 0.00 C ATOM 269 C ILE A 17 6.665 9.036 -0.098 1.00 0.00 C ATOM 270 O ILE A 17 7.799 8.555 -0.098 1.00 0.00 O ATOM 271 CB ILE A 17 5.627 8.899 -2.382 1.00 0.00 C ATOM 272 CG1 ILE A 17 4.455 8.366 -3.205 1.00 0.00 C ATOM 273 CG2 ILE A 17 6.944 8.481 -3.024 1.00 0.00 C ATOM 274 CD1 ILE A 17 4.067 9.260 -4.365 1.00 0.00 C ATOM 0 H ILE A 17 3.651 9.312 -0.834 1.00 0.00 H new ATOM 0 HA ILE A 17 5.679 7.309 -0.919 1.00 0.00 H new ATOM 0 HB ILE A 17 5.577 9.988 -2.363 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.712 7.379 -3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.592 8.239 -2.551 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.982 8.848 -4.050 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.775 8.902 -2.457 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.019 7.394 -3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.229 8.816 -4.902 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.778 10.241 -3.988 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.915 9.367 -5.041 1.00 0.00 H new ATOM 286 N ALA A 18 6.337 10.105 0.622 1.00 0.00 N ATOM 287 CA ALA A 18 7.326 10.819 1.426 1.00 0.00 C ATOM 288 C ALA A 18 7.419 10.294 2.861 1.00 0.00 C ATOM 289 O ALA A 18 8.448 10.459 3.516 1.00 0.00 O ATOM 290 CB ALA A 18 7.003 12.306 1.433 1.00 0.00 C ATOM 0 H ALA A 18 5.396 10.496 0.666 1.00 0.00 H new ATOM 0 HA ALA A 18 8.299 10.648 0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.742 12.836 2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.023 12.688 0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.011 12.461 1.858 1.00 0.00 H new ATOM 296 N ASN A 19 6.352 9.663 3.351 1.00 0.00 N ATOM 297 CA ASN A 19 6.335 9.149 4.725 1.00 0.00 C ATOM 298 C ASN A 19 6.579 7.640 4.804 1.00 0.00 C ATOM 299 O ASN A 19 7.255 7.167 5.718 1.00 0.00 O ATOM 300 CB ASN A 19 4.998 9.482 5.391 1.00 0.00 C ATOM 301 CG ASN A 19 4.926 10.922 5.864 1.00 0.00 C ATOM 302 OD1 ASN A 19 5.315 11.237 6.988 1.00 0.00 O ATOM 303 ND2 ASN A 19 4.425 11.805 5.008 1.00 0.00 N ATOM 0 H ASN A 19 5.495 9.495 2.825 1.00 0.00 H new ATOM 0 HA ASN A 19 7.156 9.637 5.250 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.188 9.294 4.686 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.843 8.816 6.240 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.351 12.787 5.273 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.114 11.501 4.085 1.00 0.00 H new ATOM 310 N LEU A 20 6.032 6.889 3.854 1.00 0.00 N ATOM 311 CA LEU A 20 6.173 5.433 3.849 1.00 0.00 C ATOM 312 C LEU A 20 7.475 4.983 3.195 1.00 0.00 C ATOM 313 O LEU A 20 7.970 5.612 2.260 1.00 0.00 O ATOM 314 CB LEU A 20 4.986 4.796 3.120 1.00 0.00 C ATOM 315 CG LEU A 20 4.937 3.266 3.151 1.00 0.00 C ATOM 316 CD1 LEU A 20 4.090 2.784 4.318 1.00 0.00 C ATOM 317 CD2 LEU A 20 4.389 2.728 1.837 1.00 0.00 C ATOM 0 H LEU A 20 5.487 7.262 3.077 1.00 0.00 H new ATOM 0 HA LEU A 20 6.193 5.105 4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.065 5.180 3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.004 5.120 2.080 1.00 0.00 H new ATOM 0 HG LEU A 20 5.951 2.889 3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.066 1.694 4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.520 3.143 5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.075 3.168 4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.360 1.639 1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.382 3.113 1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.032 3.046 1.017 1.00 0.00 H new ATOM 329 N ASP A 21 8.015 3.877 3.701 1.00 0.00 N ATOM 330 CA ASP A 21 9.248 3.302 3.175 1.00 0.00 C ATOM 331 C ASP A 21 8.989 1.885 2.666 1.00 0.00 C ATOM 332 O ASP A 21 8.820 0.961 3.460 1.00 0.00 O ATOM 333 CB ASP A 21 10.337 3.283 4.250 1.00 0.00 C ATOM 334 CG ASP A 21 10.849 4.670 4.579 1.00 0.00 C ATOM 335 OD1 ASP A 21 11.794 5.130 3.901 1.00 0.00 O ATOM 336 OD2 ASP A 21 10.306 5.298 5.512 1.00 0.00 O ATOM 0 H ASP A 21 7.613 3.358 4.482 1.00 0.00 H new ATOM 0 HA ASP A 21 9.592 3.921 2.347 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.942 2.820 5.155 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.167 2.663 3.911 1.00 0.00 H new ATOM 341 N PRO A 22 8.953 1.702 1.330 1.00 0.00 N ATOM 342 CA PRO A 22 8.697 0.393 0.694 1.00 0.00 C ATOM 343 C PRO A 22 9.707 -0.692 1.072 1.00 0.00 C ATOM 344 O PRO A 22 9.413 -1.878 0.954 1.00 0.00 O ATOM 345 CB PRO A 22 8.803 0.694 -0.806 1.00 0.00 C ATOM 346 CG PRO A 22 8.587 2.161 -0.926 1.00 0.00 C ATOM 347 CD PRO A 22 9.151 2.763 0.325 1.00 0.00 C ATOM 0 HA PRO A 22 7.734 -0.005 1.015 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.779 0.406 -1.197 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.056 0.138 -1.373 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.086 2.558 -1.810 1.00 0.00 H new ATOM 0 HG3 PRO A 22 7.527 2.393 -1.027 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.205 3.017 0.210 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.631 3.680 0.600 1.00 0.00 H new ATOM 355 N THR A 23 10.890 -0.285 1.517 1.00 0.00 N ATOM 356 CA THR A 23 11.943 -1.227 1.891 1.00 0.00 C ATOM 357 C THR A 23 11.687 -1.890 3.246 1.00 0.00 C ATOM 358 O THR A 23 11.835 -3.104 3.390 1.00 0.00 O ATOM 359 CB THR A 23 13.309 -0.519 1.955 1.00 0.00 C ATOM 360 OG1 THR A 23 13.158 0.781 2.541 1.00 0.00 O ATOM 361 CG2 THR A 23 13.921 -0.386 0.567 1.00 0.00 C ATOM 0 H THR A 23 11.147 0.696 1.629 1.00 0.00 H new ATOM 0 HA THR A 23 11.944 -1.998 1.120 1.00 0.00 H new ATOM 0 HB THR A 23 13.976 -1.123 2.570 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.031 1.225 2.580 1.00 0.00 H new ATOM 0 HG21 THR A 23 14.885 0.117 0.641 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.061 -1.377 0.135 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.255 0.197 -0.070 1.00 0.00 H new ATOM 369 N LYS A 24 11.306 -1.084 4.233 1.00 0.00 N ATOM 370 CA LYS A 24 11.072 -1.577 5.591 1.00 0.00 C ATOM 371 C LYS A 24 9.786 -2.396 5.719 1.00 0.00 C ATOM 372 O LYS A 24 9.711 -3.302 6.549 1.00 0.00 O ATOM 373 CB LYS A 24 11.040 -0.406 6.576 1.00 0.00 C ATOM 374 CG LYS A 24 11.606 -0.743 7.947 1.00 0.00 C ATOM 375 CD LYS A 24 11.542 0.452 8.886 1.00 0.00 C ATOM 376 CE LYS A 24 10.295 0.408 9.756 1.00 0.00 C ATOM 377 NZ LYS A 24 10.218 1.574 10.681 1.00 0.00 N ATOM 0 H LYS A 24 11.152 -0.082 4.119 1.00 0.00 H new ATOM 0 HA LYS A 24 11.900 -2.246 5.828 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.604 0.427 6.155 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.010 -0.068 6.691 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.049 -1.575 8.377 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.640 -1.071 7.844 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.429 0.467 9.519 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.550 1.374 8.305 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.410 0.391 9.120 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.290 -0.515 10.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.354 1.505 11.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.049 1.577 11.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.197 2.455 10.128 1.00 0.00 H new ATOM 391 N ILE A 25 8.782 -2.091 4.907 1.00 0.00 N ATOM 392 CA ILE A 25 7.506 -2.808 4.986 1.00 0.00 C ATOM 393 C ILE A 25 7.479 -4.066 4.116 1.00 0.00 C ATOM 394 O ILE A 25 6.816 -5.040 4.466 1.00 0.00 O ATOM 395 CB ILE A 25 6.304 -1.910 4.620 1.00 0.00 C ATOM 396 CG1 ILE A 25 6.549 -1.176 3.303 1.00 0.00 C ATOM 397 CG2 ILE A 25 6.020 -0.916 5.739 1.00 0.00 C ATOM 398 CD1 ILE A 25 5.280 -0.878 2.539 1.00 0.00 C ATOM 0 H ILE A 25 8.820 -1.363 4.194 1.00 0.00 H new ATOM 0 HA ILE A 25 7.415 -3.109 6.030 1.00 0.00 H new ATOM 0 HB ILE A 25 5.431 -2.550 4.493 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.069 -0.240 3.508 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.209 -1.777 2.677 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.170 -0.292 5.464 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.791 -1.457 6.657 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.896 -0.287 5.898 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.526 -0.356 1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.769 -1.812 2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.628 -0.251 3.147 1.00 0.00 H new ATOM 410 N LEU A 26 8.191 -4.040 2.988 1.00 0.00 N ATOM 411 CA LEU A 26 8.218 -5.179 2.063 1.00 0.00 C ATOM 412 C LEU A 26 8.679 -6.469 2.740 1.00 0.00 C ATOM 413 O LEU A 26 8.187 -7.552 2.418 1.00 0.00 O ATOM 414 CB LEU A 26 9.136 -4.881 0.877 1.00 0.00 C ATOM 415 CG LEU A 26 8.745 -5.572 -0.429 1.00 0.00 C ATOM 416 CD1 LEU A 26 7.723 -4.737 -1.182 1.00 0.00 C ATOM 417 CD2 LEU A 26 9.971 -5.823 -1.293 1.00 0.00 C ATOM 0 H LEU A 26 8.757 -3.245 2.691 1.00 0.00 H new ATOM 0 HA LEU A 26 7.194 -5.326 1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.152 -3.804 0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.151 -5.178 1.139 1.00 0.00 H new ATOM 0 HG LEU A 26 8.296 -6.536 -0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.454 -5.241 -2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.832 -4.610 -0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.149 -3.760 -1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.670 -6.316 -2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.451 -4.873 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.672 -6.460 -0.754 1.00 0.00 H new ATOM 429 N GLU A 27 9.608 -6.344 3.681 1.00 0.00 N ATOM 430 CA GLU A 27 10.157 -7.497 4.393 1.00 0.00 C ATOM 431 C GLU A 27 9.156 -8.113 5.373 1.00 0.00 C ATOM 432 O GLU A 27 9.228 -9.306 5.667 1.00 0.00 O ATOM 433 CB GLU A 27 11.422 -7.081 5.146 1.00 0.00 C ATOM 434 CG GLU A 27 12.622 -6.843 4.241 1.00 0.00 C ATOM 435 CD GLU A 27 13.282 -8.131 3.787 1.00 0.00 C ATOM 436 OE1 GLU A 27 12.873 -8.671 2.739 1.00 0.00 O ATOM 437 OE2 GLU A 27 14.209 -8.597 4.481 1.00 0.00 O ATOM 0 H GLU A 27 10.001 -5.449 3.972 1.00 0.00 H new ATOM 0 HA GLU A 27 10.391 -8.257 3.647 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.216 -6.171 5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.673 -7.855 5.872 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.304 -6.275 3.366 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.354 -6.232 4.769 1.00 0.00 H new ATOM 444 N GLU A 28 8.219 -7.304 5.864 1.00 0.00 N ATOM 445 CA GLU A 28 7.226 -7.775 6.830 1.00 0.00 C ATOM 446 C GLU A 28 6.143 -8.636 6.175 1.00 0.00 C ATOM 447 O GLU A 28 5.734 -9.658 6.728 1.00 0.00 O ATOM 448 CB GLU A 28 6.580 -6.584 7.542 1.00 0.00 C ATOM 449 CG GLU A 28 7.496 -5.907 8.551 1.00 0.00 C ATOM 450 CD GLU A 28 7.599 -6.673 9.855 1.00 0.00 C ATOM 451 OE1 GLU A 28 6.766 -6.428 10.752 1.00 0.00 O ATOM 452 OE2 GLU A 28 8.516 -7.511 9.981 1.00 0.00 O ATOM 0 H GLU A 28 8.126 -6.321 5.610 1.00 0.00 H new ATOM 0 HA GLU A 28 7.750 -8.400 7.554 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.269 -5.851 6.797 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.678 -6.922 8.052 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.491 -5.800 8.118 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.127 -4.902 8.753 1.00 0.00 H new ATOM 459 N LEU A 29 5.692 -8.220 4.996 1.00 0.00 N ATOM 460 CA LEU A 29 4.645 -8.942 4.274 1.00 0.00 C ATOM 461 C LEU A 29 5.197 -10.178 3.563 1.00 0.00 C ATOM 462 O LEU A 29 4.494 -11.180 3.412 1.00 0.00 O ATOM 463 CB LEU A 29 3.970 -8.009 3.264 1.00 0.00 C ATOM 464 CG LEU A 29 3.012 -6.981 3.876 1.00 0.00 C ATOM 465 CD1 LEU A 29 3.738 -5.680 4.175 1.00 0.00 C ATOM 466 CD2 LEU A 29 1.834 -6.726 2.949 1.00 0.00 C ATOM 0 H LEU A 29 6.034 -7.386 4.518 1.00 0.00 H new ATOM 0 HA LEU A 29 3.910 -9.282 5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.743 -7.478 2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.419 -8.614 2.544 1.00 0.00 H new ATOM 0 HG LEU A 29 2.633 -7.389 4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.039 -4.965 4.609 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.548 -5.869 4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.148 -5.272 3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.166 -5.993 3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.198 -6.344 1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.292 -7.657 2.784 1.00 0.00 H new ATOM 478 N LEU A 30 6.456 -10.102 3.135 1.00 0.00 N ATOM 479 CA LEU A 30 7.108 -11.208 2.436 1.00 0.00 C ATOM 480 C LEU A 30 7.341 -12.410 3.353 1.00 0.00 C ATOM 481 O LEU A 30 7.333 -13.554 2.897 1.00 0.00 O ATOM 482 CB LEU A 30 8.444 -10.746 1.853 1.00 0.00 C ATOM 483 CG LEU A 30 8.439 -10.495 0.347 1.00 0.00 C ATOM 484 CD1 LEU A 30 9.513 -9.485 -0.028 1.00 0.00 C ATOM 485 CD2 LEU A 30 8.644 -11.800 -0.406 1.00 0.00 C ATOM 0 H LEU A 30 7.048 -9.281 3.261 1.00 0.00 H new ATOM 0 HA LEU A 30 6.440 -11.522 1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.746 -9.828 2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.201 -11.497 2.078 1.00 0.00 H new ATOM 0 HG LEU A 30 7.470 -10.083 0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.495 -9.318 -1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.324 -8.544 0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.491 -9.868 0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.638 -11.606 -1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.601 -12.238 -0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.840 -12.493 -0.158 1.00 0.00 H new ATOM 497 N ARG A 31 7.551 -12.144 4.642 1.00 0.00 N ATOM 498 CA ARG A 31 7.801 -13.204 5.621 1.00 0.00 C ATOM 499 C ARG A 31 6.541 -14.021 5.902 1.00 0.00 C ATOM 500 O ARG A 31 6.623 -15.181 6.306 1.00 0.00 O ATOM 501 CB ARG A 31 8.338 -12.604 6.924 1.00 0.00 C ATOM 502 CG ARG A 31 9.789 -12.151 6.832 1.00 0.00 C ATOM 503 CD ARG A 31 10.760 -13.295 7.095 1.00 0.00 C ATOM 504 NE ARG A 31 10.862 -14.207 5.957 1.00 0.00 N ATOM 505 CZ ARG A 31 11.577 -15.332 5.967 1.00 0.00 C ATOM 506 NH1 ARG A 31 12.253 -15.685 7.054 1.00 0.00 N ATOM 507 NH2 ARG A 31 11.615 -16.103 4.888 1.00 0.00 N ATOM 0 H ARG A 31 7.553 -11.202 5.034 1.00 0.00 H new ATOM 0 HA ARG A 31 8.547 -13.876 5.197 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.717 -11.753 7.206 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.246 -13.343 7.720 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.977 -11.736 5.842 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.966 -11.352 7.552 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.745 -12.888 7.321 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.435 -13.850 7.975 1.00 0.00 H new ATOM 0 HE ARG A 31 10.356 -13.968 5.104 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.226 -15.095 7.885 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.799 -16.547 7.058 1.00 0.00 H new ATOM 0 HH21 ARG A 31 11.097 -15.835 4.051 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.162 -16.964 4.895 1.00 0.00 H new ATOM 521 N ARG A 32 5.379 -13.413 5.684 1.00 0.00 N ATOM 522 CA ARG A 32 4.106 -14.089 5.913 1.00 0.00 C ATOM 523 C ARG A 32 3.643 -14.827 4.658 1.00 0.00 C ATOM 524 O ARG A 32 2.720 -15.640 4.711 1.00 0.00 O ATOM 525 CB ARG A 32 3.048 -13.078 6.354 1.00 0.00 C ATOM 526 CG ARG A 32 3.344 -12.449 7.708 1.00 0.00 C ATOM 527 CD ARG A 32 2.105 -11.812 8.317 1.00 0.00 C ATOM 528 NE ARG A 32 1.179 -12.810 8.850 1.00 0.00 N ATOM 529 CZ ARG A 32 0.121 -12.515 9.603 1.00 0.00 C ATOM 530 NH1 ARG A 32 -0.149 -11.255 9.916 1.00 0.00 N ATOM 531 NH2 ARG A 32 -0.668 -13.486 10.046 1.00 0.00 N ATOM 0 H ARG A 32 5.292 -12.453 5.349 1.00 0.00 H new ATOM 0 HA ARG A 32 4.247 -14.825 6.704 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.973 -12.291 5.604 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.078 -13.573 6.395 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.732 -13.210 8.385 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.123 -11.695 7.596 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.403 -11.132 9.115 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.597 -11.214 7.561 1.00 0.00 H new ATOM 0 HE ARG A 32 1.354 -13.791 8.632 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.455 -10.505 9.580 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.961 -11.036 10.493 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.464 -14.457 9.810 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.479 -13.261 10.623 1.00 0.00 H new ATOM 545 N GLY A 33 4.297 -14.542 3.534 1.00 0.00 N ATOM 546 CA GLY A 33 3.950 -15.184 2.280 1.00 0.00 C ATOM 547 C GLY A 33 2.833 -14.470 1.543 1.00 0.00 C ATOM 548 O GLY A 33 2.009 -15.107 0.889 1.00 0.00 O ATOM 0 H GLY A 33 5.065 -13.874 3.471 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.832 -15.224 1.642 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.650 -16.214 2.475 1.00 0.00 H new ATOM 552 N LEU A 34 2.806 -13.142 1.647 1.00 0.00 N ATOM 553 CA LEU A 34 1.780 -12.341 0.982 1.00 0.00 C ATOM 554 C LEU A 34 2.264 -11.815 -0.365 1.00 0.00 C ATOM 555 O LEU A 34 1.466 -11.367 -1.186 1.00 0.00 O ATOM 556 CB LEU A 34 1.369 -11.162 1.870 1.00 0.00 C ATOM 557 CG LEU A 34 -0.003 -10.553 1.558 1.00 0.00 C ATOM 558 CD1 LEU A 34 -0.700 -10.129 2.841 1.00 0.00 C ATOM 559 CD2 LEU A 34 0.137 -9.369 0.609 1.00 0.00 C ATOM 0 H LEU A 34 3.482 -12.599 2.185 1.00 0.00 H new ATOM 0 HA LEU A 34 0.921 -12.989 0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.374 -11.492 2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.124 -10.381 1.780 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.612 -11.313 1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.672 -9.699 2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.836 -10.998 3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.092 -9.386 3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.848 -8.951 0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.765 -8.606 1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.595 -9.702 -0.323 1.00 0.00 H new ATOM 571 N LEU A 35 3.563 -11.904 -0.617 1.00 0.00 N ATOM 572 CA LEU A 35 4.111 -11.384 -1.857 1.00 0.00 C ATOM 573 C LEU A 35 4.574 -12.511 -2.778 1.00 0.00 C ATOM 574 O LEU A 35 5.229 -13.455 -2.337 1.00 0.00 O ATOM 575 CB LEU A 35 5.278 -10.442 -1.557 1.00 0.00 C ATOM 576 CG LEU A 35 5.231 -9.106 -2.300 1.00 0.00 C ATOM 577 CD1 LEU A 35 5.996 -8.041 -1.535 1.00 0.00 C ATOM 578 CD2 LEU A 35 5.788 -9.258 -3.707 1.00 0.00 C ATOM 0 H LEU A 35 4.246 -12.325 0.012 1.00 0.00 H new ATOM 0 HA LEU A 35 3.322 -10.834 -2.369 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.301 -10.245 -0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.210 -10.949 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 35 4.190 -8.792 -2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.951 -7.098 -2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.551 -7.912 -0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.036 -8.348 -1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.747 -8.297 -4.220 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.823 -9.597 -3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.195 -9.989 -4.256 1.00 0.00 H new ATOM 590 N THR A 36 4.223 -12.406 -4.061 1.00 0.00 N ATOM 591 CA THR A 36 4.606 -13.415 -5.043 1.00 0.00 C ATOM 592 C THR A 36 5.808 -12.958 -5.863 1.00 0.00 C ATOM 593 O THR A 36 6.026 -11.763 -6.036 1.00 0.00 O ATOM 594 CB THR A 36 3.445 -13.739 -6.002 1.00 0.00 C ATOM 595 OG1 THR A 36 2.920 -12.529 -6.563 1.00 0.00 O ATOM 596 CG2 THR A 36 2.342 -14.499 -5.277 1.00 0.00 C ATOM 0 H THR A 36 3.676 -11.634 -4.441 1.00 0.00 H new ATOM 0 HA THR A 36 4.868 -14.313 -4.483 1.00 0.00 H new ATOM 0 HB THR A 36 3.827 -14.370 -6.805 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.183 -12.744 -7.173 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.532 -14.717 -5.973 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.743 -15.433 -4.882 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.961 -13.892 -4.456 1.00 0.00 H new ATOM 604 N PRO A 37 6.604 -13.914 -6.374 1.00 0.00 N ATOM 605 CA PRO A 37 7.798 -13.621 -7.185 1.00 0.00 C ATOM 606 C PRO A 37 7.480 -12.884 -8.491 1.00 0.00 C ATOM 607 O PRO A 37 8.311 -12.132 -9.000 1.00 0.00 O ATOM 608 CB PRO A 37 8.385 -15.009 -7.478 1.00 0.00 C ATOM 609 CG PRO A 37 7.262 -15.964 -7.257 1.00 0.00 C ATOM 610 CD PRO A 37 6.412 -15.360 -6.181 1.00 0.00 C ATOM 0 HA PRO A 37 8.480 -12.954 -6.657 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.759 -15.071 -8.500 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.224 -15.229 -6.818 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.688 -16.110 -8.172 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.636 -16.943 -6.956 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.365 -15.645 -6.287 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.731 -15.680 -5.189 1.00 0.00 H new ATOM 618 N ALA A 38 6.275 -13.104 -9.022 1.00 0.00 N ATOM 619 CA ALA A 38 5.842 -12.458 -10.262 1.00 0.00 C ATOM 620 C ALA A 38 5.630 -10.960 -10.053 1.00 0.00 C ATOM 621 O ALA A 38 6.073 -10.141 -10.859 1.00 0.00 O ATOM 622 CB ALA A 38 4.565 -13.110 -10.770 1.00 0.00 C ATOM 0 H ALA A 38 5.580 -13.727 -8.610 1.00 0.00 H new ATOM 0 HA ALA A 38 6.626 -12.585 -11.009 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.250 -12.623 -11.693 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.748 -14.167 -10.962 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.781 -13.007 -10.020 1.00 0.00 H new ATOM 628 N GLU A 39 4.951 -10.617 -8.961 1.00 0.00 N ATOM 629 CA GLU A 39 4.681 -9.223 -8.615 1.00 0.00 C ATOM 630 C GLU A 39 5.947 -8.559 -8.078 1.00 0.00 C ATOM 631 O GLU A 39 6.180 -7.363 -8.283 1.00 0.00 O ATOM 632 CB GLU A 39 3.571 -9.155 -7.563 1.00 0.00 C ATOM 633 CG GLU A 39 2.186 -9.464 -8.111 1.00 0.00 C ATOM 634 CD GLU A 39 1.187 -9.774 -7.014 1.00 0.00 C ATOM 635 OE1 GLU A 39 1.185 -9.057 -5.992 1.00 0.00 O ATOM 636 OE2 GLU A 39 0.407 -10.737 -7.176 1.00 0.00 O ATOM 0 H GLU A 39 4.575 -11.292 -8.295 1.00 0.00 H new ATOM 0 HA GLU A 39 4.359 -8.693 -9.511 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.799 -9.857 -6.761 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.563 -8.159 -7.121 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.830 -8.614 -8.693 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.249 -10.313 -8.792 1.00 0.00 H new ATOM 643 N LEU A 40 6.753 -9.363 -7.389 1.00 0.00 N ATOM 644 CA LEU A 40 8.005 -8.911 -6.794 1.00 0.00 C ATOM 645 C LEU A 40 8.966 -8.366 -7.844 1.00 0.00 C ATOM 646 O LEU A 40 9.387 -7.218 -7.762 1.00 0.00 O ATOM 647 CB LEU A 40 8.665 -10.073 -6.045 1.00 0.00 C ATOM 648 CG LEU A 40 9.458 -9.690 -4.792 1.00 0.00 C ATOM 649 CD1 LEU A 40 9.472 -10.840 -3.797 1.00 0.00 C ATOM 650 CD2 LEU A 40 10.880 -9.295 -5.159 1.00 0.00 C ATOM 0 H LEU A 40 6.554 -10.350 -7.228 1.00 0.00 H new ATOM 0 HA LEU A 40 7.774 -8.101 -6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.890 -10.784 -5.759 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.334 -10.591 -6.732 1.00 0.00 H new ATOM 0 HG LEU A 40 8.969 -8.834 -4.327 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.040 -10.550 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.450 -11.083 -3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.936 -11.713 -4.256 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.428 -9.026 -4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.376 -10.134 -5.648 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.857 -8.442 -5.837 1.00 0.00 H new ATOM 662 N GLN A 41 9.297 -9.203 -8.828 1.00 0.00 N ATOM 663 CA GLN A 41 10.224 -8.845 -9.895 1.00 0.00 C ATOM 664 C GLN A 41 9.849 -7.552 -10.622 1.00 0.00 C ATOM 665 O GLN A 41 10.722 -6.877 -11.158 1.00 0.00 O ATOM 666 CB GLN A 41 10.301 -9.991 -10.897 1.00 0.00 C ATOM 667 CG GLN A 41 11.704 -10.261 -11.401 1.00 0.00 C ATOM 668 CD GLN A 41 12.586 -10.932 -10.361 1.00 0.00 C ATOM 669 OE1 GLN A 41 12.538 -12.149 -10.189 1.00 0.00 O ATOM 670 NE2 GLN A 41 13.403 -10.147 -9.659 1.00 0.00 N ATOM 0 H GLN A 41 8.927 -10.150 -8.905 1.00 0.00 H new ATOM 0 HA GLN A 41 11.193 -8.667 -9.428 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.910 -10.896 -10.432 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.656 -9.765 -11.746 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.651 -10.893 -12.288 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.162 -9.320 -11.707 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.415 -9.141 -9.829 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.016 -10.552 -8.951 1.00 0.00 H new ATOM 679 N GLU A 42 8.565 -7.209 -10.645 1.00 0.00 N ATOM 680 CA GLU A 42 8.123 -5.999 -11.337 1.00 0.00 C ATOM 681 C GLU A 42 8.458 -4.727 -10.553 1.00 0.00 C ATOM 682 O GLU A 42 9.169 -3.842 -11.054 1.00 0.00 O ATOM 683 CB GLU A 42 6.619 -6.066 -11.595 1.00 0.00 C ATOM 684 CG GLU A 42 6.180 -5.340 -12.856 1.00 0.00 C ATOM 685 CD GLU A 42 4.684 -5.416 -13.075 1.00 0.00 C ATOM 686 OE1 GLU A 42 3.966 -4.531 -12.566 1.00 0.00 O ATOM 687 OE2 GLU A 42 4.229 -6.361 -13.753 1.00 0.00 O ATOM 0 H GLU A 42 7.819 -7.743 -10.199 1.00 0.00 H new ATOM 0 HA GLU A 42 8.661 -5.952 -12.284 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.318 -7.111 -11.665 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.094 -5.640 -10.740 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.483 -4.295 -12.794 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.693 -5.770 -13.717 1.00 0.00 H new ATOM 694 N VAL A 43 7.981 -4.648 -9.313 1.00 0.00 N ATOM 695 CA VAL A 43 8.219 -3.466 -8.491 1.00 0.00 C ATOM 696 C VAL A 43 9.659 -3.424 -7.971 1.00 0.00 C ATOM 697 O VAL A 43 10.185 -2.356 -7.667 1.00 0.00 O ATOM 698 CB VAL A 43 7.200 -3.358 -7.326 1.00 0.00 C ATOM 699 CG1 VAL A 43 7.279 -4.556 -6.397 1.00 0.00 C ATOM 700 CG2 VAL A 43 7.391 -2.062 -6.550 1.00 0.00 C ATOM 0 H VAL A 43 7.434 -5.380 -8.860 1.00 0.00 H new ATOM 0 HA VAL A 43 8.072 -2.597 -9.133 1.00 0.00 H new ATOM 0 HB VAL A 43 6.204 -3.349 -7.769 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.550 -4.443 -5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.063 -5.466 -6.957 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.280 -4.621 -5.971 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.664 -2.013 -5.740 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.399 -2.031 -6.136 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.247 -1.213 -7.218 1.00 0.00 H new ATOM 710 N LEU A 44 10.309 -4.580 -7.895 1.00 0.00 N ATOM 711 CA LEU A 44 11.691 -4.636 -7.434 1.00 0.00 C ATOM 712 C LEU A 44 12.645 -4.246 -8.557 1.00 0.00 C ATOM 713 O LEU A 44 13.803 -3.905 -8.313 1.00 0.00 O ATOM 714 CB LEU A 44 12.037 -6.032 -6.918 1.00 0.00 C ATOM 715 CG LEU A 44 13.296 -6.106 -6.058 1.00 0.00 C ATOM 716 CD1 LEU A 44 12.959 -5.847 -4.599 1.00 0.00 C ATOM 717 CD2 LEU A 44 13.973 -7.457 -6.223 1.00 0.00 C ATOM 0 H LEU A 44 9.906 -5.483 -8.144 1.00 0.00 H new ATOM 0 HA LEU A 44 11.801 -3.926 -6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.195 -6.407 -6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.158 -6.699 -7.771 1.00 0.00 H new ATOM 0 HG LEU A 44 13.989 -5.333 -6.390 1.00 0.00 H new ATOM 0 HD11 LEU A 44 13.868 -5.904 -4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.519 -4.855 -4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.248 -6.596 -4.251 1.00 0.00 H new ATOM 0 HD21 LEU A 44 14.869 -7.493 -5.603 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.288 -8.247 -5.917 1.00 0.00 H new ATOM 0 HD23 LEU A 44 14.249 -7.601 -7.268 1.00 0.00 H new ATOM 729 N ASP A 45 12.143 -4.292 -9.791 1.00 0.00 N ATOM 730 CA ASP A 45 12.938 -3.940 -10.957 1.00 0.00 C ATOM 731 C ASP A 45 13.033 -2.430 -11.109 1.00 0.00 C ATOM 732 O ASP A 45 14.117 -1.895 -11.345 1.00 0.00 O ATOM 733 CB ASP A 45 12.332 -4.546 -12.224 1.00 0.00 C ATOM 734 CG ASP A 45 13.374 -4.828 -13.287 1.00 0.00 C ATOM 735 OD1 ASP A 45 13.987 -5.915 -13.243 1.00 0.00 O ATOM 736 OD2 ASP A 45 13.579 -3.961 -14.163 1.00 0.00 O ATOM 0 H ASP A 45 11.185 -4.571 -10.005 1.00 0.00 H new ATOM 0 HA ASP A 45 13.940 -4.344 -10.813 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.817 -5.472 -11.970 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.582 -3.865 -12.626 1.00 0.00 H new ATOM 741 N LEU A 46 11.898 -1.740 -10.969 1.00 0.00 N ATOM 742 CA LEU A 46 11.890 -0.283 -11.104 1.00 0.00 C ATOM 743 C LEU A 46 12.672 0.383 -9.978 1.00 0.00 C ATOM 744 O LEU A 46 12.725 -0.118 -8.854 1.00 0.00 O ATOM 745 CB LEU A 46 10.467 0.284 -11.137 1.00 0.00 C ATOM 746 CG LEU A 46 9.452 -0.401 -10.222 1.00 0.00 C ATOM 747 CD1 LEU A 46 9.298 0.375 -8.925 1.00 0.00 C ATOM 748 CD2 LEU A 46 8.111 -0.529 -10.922 1.00 0.00 C ATOM 0 H LEU A 46 10.990 -2.157 -10.766 1.00 0.00 H new ATOM 0 HA LEU A 46 12.372 -0.061 -12.056 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.512 1.340 -10.871 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.099 0.229 -12.161 1.00 0.00 H new ATOM 0 HG LEU A 46 9.818 -1.400 -9.987 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.572 -0.126 -8.285 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.259 0.424 -8.414 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.952 1.385 -9.144 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.399 -1.019 -10.258 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.741 0.462 -11.183 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.229 -1.123 -11.828 1.00 0.00 H new ATOM 760 N LYS A 47 13.276 1.520 -10.296 1.00 0.00 N ATOM 761 CA LYS A 47 14.047 2.273 -9.323 1.00 0.00 C ATOM 762 C LYS A 47 13.344 3.583 -8.999 1.00 0.00 C ATOM 763 O LYS A 47 13.913 4.465 -8.358 1.00 0.00 O ATOM 764 CB LYS A 47 15.450 2.552 -9.861 1.00 0.00 C ATOM 765 CG LYS A 47 16.373 1.348 -9.809 1.00 0.00 C ATOM 766 CD LYS A 47 17.760 1.700 -10.318 1.00 0.00 C ATOM 767 CE LYS A 47 18.692 0.501 -10.283 1.00 0.00 C ATOM 768 NZ LYS A 47 20.053 0.845 -10.779 1.00 0.00 N ATOM 0 H LYS A 47 13.245 1.940 -11.225 1.00 0.00 H new ATOM 0 HA LYS A 47 14.132 1.682 -8.411 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.373 2.895 -10.893 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.895 3.365 -9.287 1.00 0.00 H new ATOM 0 HG2 LYS A 47 16.440 0.981 -8.785 1.00 0.00 H new ATOM 0 HG3 LYS A 47 15.956 0.540 -10.410 1.00 0.00 H new ATOM 0 HD2 LYS A 47 17.689 2.076 -11.339 1.00 0.00 H new ATOM 0 HD3 LYS A 47 18.177 2.503 -9.711 1.00 0.00 H new ATOM 0 HE2 LYS A 47 18.761 0.124 -9.263 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.275 -0.301 -10.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 20.660 0.002 -10.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 19.990 1.181 -11.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 20.461 1.593 -10.183 1.00 0.00 H new ATOM 782 N THR A 48 12.101 3.700 -9.452 1.00 0.00 N ATOM 783 CA THR A 48 11.308 4.899 -9.223 1.00 0.00 C ATOM 784 C THR A 48 10.560 4.814 -7.892 1.00 0.00 C ATOM 785 O THR A 48 9.652 4.000 -7.743 1.00 0.00 O ATOM 786 CB THR A 48 10.306 5.113 -10.373 1.00 0.00 C ATOM 787 OG1 THR A 48 9.778 3.849 -10.793 1.00 0.00 O ATOM 788 CG2 THR A 48 10.983 5.802 -11.550 1.00 0.00 C ATOM 0 H THR A 48 11.620 2.974 -9.983 1.00 0.00 H new ATOM 0 HA THR A 48 11.990 5.748 -9.185 1.00 0.00 H new ATOM 0 HB THR A 48 9.495 5.748 -10.016 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.140 3.988 -11.523 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.260 5.945 -12.353 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.368 6.771 -11.232 1.00 0.00 H new ATOM 0 HG23 THR A 48 11.806 5.184 -11.909 1.00 0.00 H new ATOM 796 N PRO A 49 10.937 5.663 -6.914 1.00 0.00 N ATOM 797 CA PRO A 49 10.318 5.688 -5.575 1.00 0.00 C ATOM 798 C PRO A 49 8.809 5.920 -5.617 1.00 0.00 C ATOM 799 O PRO A 49 8.064 5.348 -4.819 1.00 0.00 O ATOM 800 CB PRO A 49 11.016 6.863 -4.880 1.00 0.00 C ATOM 801 CG PRO A 49 12.294 7.046 -5.620 1.00 0.00 C ATOM 802 CD PRO A 49 12.002 6.674 -7.042 1.00 0.00 C ATOM 0 HA PRO A 49 10.438 4.733 -5.064 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.405 7.764 -4.920 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.197 6.647 -3.827 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.642 8.077 -5.549 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.080 6.415 -5.205 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.672 7.535 -7.624 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.883 6.270 -7.542 1.00 0.00 H new ATOM 810 N GLU A 50 8.369 6.764 -6.548 1.00 0.00 N ATOM 811 CA GLU A 50 6.950 7.070 -6.706 1.00 0.00 C ATOM 812 C GLU A 50 6.165 5.827 -7.122 1.00 0.00 C ATOM 813 O GLU A 50 5.065 5.584 -6.627 1.00 0.00 O ATOM 814 CB GLU A 50 6.759 8.175 -7.748 1.00 0.00 C ATOM 815 CG GLU A 50 7.256 9.540 -7.300 1.00 0.00 C ATOM 816 CD GLU A 50 7.027 10.609 -8.350 1.00 0.00 C ATOM 817 OE1 GLU A 50 5.944 11.230 -8.340 1.00 0.00 O ATOM 818 OE2 GLU A 50 7.930 10.820 -9.186 1.00 0.00 O ATOM 0 H GLU A 50 8.978 7.250 -7.207 1.00 0.00 H new ATOM 0 HA GLU A 50 6.570 7.413 -5.744 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.280 7.892 -8.662 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.700 8.248 -7.995 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.748 9.824 -6.378 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.320 9.480 -7.072 1.00 0.00 H new ATOM 825 N GLU A 51 6.742 5.045 -8.035 1.00 0.00 N ATOM 826 CA GLU A 51 6.106 3.825 -8.523 1.00 0.00 C ATOM 827 C GLU A 51 6.164 2.709 -7.480 1.00 0.00 C ATOM 828 O GLU A 51 5.269 1.872 -7.424 1.00 0.00 O ATOM 829 CB GLU A 51 6.757 3.358 -9.827 1.00 0.00 C ATOM 830 CG GLU A 51 5.839 2.525 -10.710 1.00 0.00 C ATOM 831 CD GLU A 51 6.134 2.699 -12.186 1.00 0.00 C ATOM 832 OE1 GLU A 51 7.223 2.277 -12.627 1.00 0.00 O ATOM 833 OE2 GLU A 51 5.275 3.254 -12.901 1.00 0.00 O ATOM 0 H GLU A 51 7.653 5.238 -8.452 1.00 0.00 H new ATOM 0 HA GLU A 51 5.058 4.057 -8.715 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.091 4.231 -10.388 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.645 2.773 -9.589 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.942 1.473 -10.444 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.803 2.803 -10.515 1.00 0.00 H new ATOM 840 N GLN A 52 7.228 2.692 -6.670 1.00 0.00 N ATOM 841 CA GLN A 52 7.400 1.670 -5.632 1.00 0.00 C ATOM 842 C GLN A 52 6.225 1.671 -4.659 1.00 0.00 C ATOM 843 O GLN A 52 5.557 0.652 -4.476 1.00 0.00 O ATOM 844 CB GLN A 52 8.709 1.893 -4.865 1.00 0.00 C ATOM 845 CG GLN A 52 9.951 1.729 -5.725 1.00 0.00 C ATOM 846 CD GLN A 52 10.940 0.734 -5.155 1.00 0.00 C ATOM 847 OE1 GLN A 52 11.690 1.045 -4.232 1.00 0.00 O ATOM 848 NE2 GLN A 52 10.948 -0.473 -5.709 1.00 0.00 N ATOM 0 H GLN A 52 7.984 3.375 -6.713 1.00 0.00 H new ATOM 0 HA GLN A 52 7.439 0.700 -6.127 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.703 2.895 -4.436 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.758 1.191 -4.033 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.655 1.407 -6.723 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.440 2.697 -5.835 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.308 -0.688 -6.473 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.595 -1.185 -5.370 1.00 0.00 H new ATOM 857 N ALA A 53 5.975 2.826 -4.048 1.00 0.00 N ATOM 858 CA ALA A 53 4.883 2.974 -3.095 1.00 0.00 C ATOM 859 C ALA A 53 3.528 2.799 -3.776 1.00 0.00 C ATOM 860 O ALA A 53 2.622 2.189 -3.212 1.00 0.00 O ATOM 861 CB ALA A 53 4.960 4.331 -2.411 1.00 0.00 C ATOM 0 H ALA A 53 6.518 3.676 -4.198 1.00 0.00 H new ATOM 0 HA ALA A 53 4.984 2.192 -2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.138 4.428 -1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.909 4.418 -1.881 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.888 5.120 -3.159 1.00 0.00 H new ATOM 867 N LYS A 54 3.410 3.323 -4.998 1.00 0.00 N ATOM 868 CA LYS A 54 2.168 3.237 -5.766 1.00 0.00 C ATOM 869 C LYS A 54 1.826 1.790 -6.121 1.00 0.00 C ATOM 870 O LYS A 54 0.658 1.406 -6.109 1.00 0.00 O ATOM 871 CB LYS A 54 2.284 4.075 -7.044 1.00 0.00 C ATOM 872 CG LYS A 54 0.960 4.648 -7.531 1.00 0.00 C ATOM 873 CD LYS A 54 0.372 3.817 -8.661 1.00 0.00 C ATOM 874 CE LYS A 54 -0.944 4.398 -9.152 1.00 0.00 C ATOM 875 NZ LYS A 54 -1.643 3.478 -10.092 1.00 0.00 N ATOM 0 H LYS A 54 4.164 3.814 -5.478 1.00 0.00 H new ATOM 0 HA LYS A 54 1.363 3.629 -5.145 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.980 4.895 -6.867 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.713 3.458 -7.833 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.253 4.688 -6.702 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.110 5.672 -7.872 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.081 3.770 -9.487 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.214 2.794 -8.318 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.590 4.604 -8.299 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.757 5.350 -9.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.670 3.628 -10.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.327 3.669 -11.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.420 2.493 -9.843 1.00 0.00 H new ATOM 889 N LYS A 55 2.853 0.997 -6.428 1.00 0.00 N ATOM 890 CA LYS A 55 2.671 -0.407 -6.796 1.00 0.00 C ATOM 891 C LYS A 55 2.103 -1.218 -5.642 1.00 0.00 C ATOM 892 O LYS A 55 1.187 -2.011 -5.836 1.00 0.00 O ATOM 893 CB LYS A 55 3.993 -1.021 -7.262 1.00 0.00 C ATOM 894 CG LYS A 55 4.271 -0.806 -8.741 1.00 0.00 C ATOM 895 CD LYS A 55 3.604 -1.871 -9.598 1.00 0.00 C ATOM 896 CE LYS A 55 3.741 -1.559 -11.079 1.00 0.00 C ATOM 897 NZ LYS A 55 5.101 -1.884 -11.591 1.00 0.00 N ATOM 0 H LYS A 55 3.825 1.306 -6.429 1.00 0.00 H new ATOM 0 HA LYS A 55 1.955 -0.436 -7.618 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.809 -0.592 -6.681 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.981 -2.091 -7.054 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.912 0.179 -9.040 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.347 -0.820 -8.915 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.051 -2.842 -9.387 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.548 -1.942 -9.336 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.997 -2.125 -11.640 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.532 -0.503 -11.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.505 -1.048 -12.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.712 -2.166 -10.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.037 -2.666 -12.274 1.00 0.00 H new ATOM 911 N LEU A 56 2.630 -1.001 -4.442 1.00 0.00 N ATOM 912 CA LEU A 56 2.176 -1.733 -3.265 1.00 0.00 C ATOM 913 C LEU A 56 0.732 -1.402 -2.915 1.00 0.00 C ATOM 914 O LEU A 56 -0.066 -2.303 -2.670 1.00 0.00 O ATOM 915 CB LEU A 56 3.071 -1.434 -2.072 1.00 0.00 C ATOM 916 CG LEU A 56 3.249 -2.597 -1.091 1.00 0.00 C ATOM 917 CD1 LEU A 56 4.680 -2.659 -0.584 1.00 0.00 C ATOM 918 CD2 LEU A 56 2.276 -2.467 0.073 1.00 0.00 C ATOM 0 H LEU A 56 3.371 -0.325 -4.259 1.00 0.00 H new ATOM 0 HA LEU A 56 2.233 -2.795 -3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.053 -1.134 -2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.659 -0.582 -1.532 1.00 0.00 H new ATOM 0 HG LEU A 56 3.033 -3.525 -1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.784 -3.492 0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.358 -2.802 -1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.926 -1.728 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.417 -3.302 0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.460 -1.530 0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.254 -2.476 -0.305 1.00 0.00 H new ATOM 930 N ILE A 57 0.401 -0.112 -2.889 1.00 0.00 N ATOM 931 CA ILE A 57 -0.957 0.315 -2.570 1.00 0.00 C ATOM 932 C ILE A 57 -1.937 -0.179 -3.633 1.00 0.00 C ATOM 933 O ILE A 57 -3.099 -0.455 -3.344 1.00 0.00 O ATOM 934 CB ILE A 57 -1.054 1.852 -2.442 1.00 0.00 C ATOM 935 CG1 ILE A 57 -0.047 2.361 -1.412 1.00 0.00 C ATOM 936 CG2 ILE A 57 -2.465 2.273 -2.049 1.00 0.00 C ATOM 937 CD1 ILE A 57 0.280 3.827 -1.563 1.00 0.00 C ATOM 0 H ILE A 57 1.051 0.650 -3.084 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.219 -0.123 -1.607 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.821 2.292 -3.412 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.443 2.186 -0.412 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.872 1.781 -1.497 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.510 3.359 -1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.170 1.938 -2.810 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.725 1.823 -1.091 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.001 4.120 -0.799 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.706 4.005 -2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -0.630 4.416 -1.448 1.00 0.00 H new ATOM 949 N ASP A 58 -1.441 -0.312 -4.859 1.00 0.00 N ATOM 950 CA ASP A 58 -2.249 -0.781 -5.976 1.00 0.00 C ATOM 951 C ASP A 58 -2.415 -2.298 -5.929 1.00 0.00 C ATOM 952 O ASP A 58 -3.372 -2.840 -6.481 1.00 0.00 O ATOM 953 CB ASP A 58 -1.601 -0.368 -7.300 1.00 0.00 C ATOM 954 CG ASP A 58 -2.314 0.793 -7.965 1.00 0.00 C ATOM 955 OD1 ASP A 58 -2.479 1.843 -7.310 1.00 0.00 O ATOM 956 OD2 ASP A 58 -2.699 0.656 -9.146 1.00 0.00 O ATOM 0 H ASP A 58 -0.474 -0.099 -5.104 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.236 -0.325 -5.900 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.561 -0.095 -7.121 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.595 -1.221 -7.978 1.00 0.00 H new ATOM 961 N PHE A 59 -1.485 -2.981 -5.259 1.00 0.00 N ATOM 962 CA PHE A 59 -1.537 -4.437 -5.158 1.00 0.00 C ATOM 963 C PHE A 59 -2.431 -4.904 -4.010 1.00 0.00 C ATOM 964 O PHE A 59 -2.904 -6.038 -4.012 1.00 0.00 O ATOM 965 CB PHE A 59 -0.127 -5.015 -5.006 1.00 0.00 C ATOM 966 CG PHE A 59 0.533 -5.302 -6.324 1.00 0.00 C ATOM 967 CD1 PHE A 59 -0.132 -6.028 -7.298 1.00 0.00 C ATOM 968 CD2 PHE A 59 1.808 -4.831 -6.596 1.00 0.00 C ATOM 969 CE1 PHE A 59 0.461 -6.279 -8.520 1.00 0.00 C ATOM 970 CE2 PHE A 59 2.406 -5.082 -7.816 1.00 0.00 C ATOM 971 CZ PHE A 59 1.731 -5.806 -8.780 1.00 0.00 C ATOM 0 H PHE A 59 -0.693 -2.551 -4.782 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.977 -4.809 -6.083 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.489 -4.314 -4.442 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.178 -5.935 -4.423 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.126 -6.402 -7.100 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.339 -4.262 -5.847 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.069 -6.845 -9.272 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.401 -4.712 -8.016 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.196 -6.001 -9.735 1.00 0.00 H new ATOM 981 N ILE A 60 -2.665 -4.035 -3.031 1.00 0.00 N ATOM 982 CA ILE A 60 -3.514 -4.385 -1.892 1.00 0.00 C ATOM 983 C ILE A 60 -4.930 -3.835 -2.061 1.00 0.00 C ATOM 984 O ILE A 60 -5.878 -4.353 -1.470 1.00 0.00 O ATOM 985 CB ILE A 60 -2.927 -3.875 -0.553 1.00 0.00 C ATOM 986 CG1 ILE A 60 -2.516 -2.403 -0.661 1.00 0.00 C ATOM 987 CG2 ILE A 60 -1.739 -4.726 -0.133 1.00 0.00 C ATOM 988 CD1 ILE A 60 -3.524 -1.443 -0.068 1.00 0.00 C ATOM 0 H ILE A 60 -2.283 -3.090 -3.001 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.553 -5.474 -1.863 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.702 -3.958 0.209 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.558 -2.265 -0.160 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.365 -2.154 -1.711 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.339 -4.353 0.810 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.059 -5.761 -0.008 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.966 -4.676 -0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.164 -0.421 -0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.477 -1.551 -0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.658 -1.664 0.991 1.00 0.00 H new ATOM 1000 N LEU A 61 -5.068 -2.791 -2.878 1.00 0.00 N ATOM 1001 CA LEU A 61 -6.366 -2.164 -3.115 1.00 0.00 C ATOM 1002 C LEU A 61 -7.219 -2.986 -4.078 1.00 0.00 C ATOM 1003 O LEU A 61 -8.417 -2.743 -4.220 1.00 0.00 O ATOM 1004 CB LEU A 61 -6.184 -0.752 -3.672 1.00 0.00 C ATOM 1005 CG LEU A 61 -7.353 0.197 -3.411 1.00 0.00 C ATOM 1006 CD1 LEU A 61 -7.230 0.822 -2.031 1.00 0.00 C ATOM 1007 CD2 LEU A 61 -7.413 1.274 -4.484 1.00 0.00 C ATOM 0 H LEU A 61 -4.295 -2.362 -3.387 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.883 -2.113 -2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.281 -0.320 -3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.023 -0.819 -4.748 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.280 -0.375 -3.448 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.070 1.495 -1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.234 0.037 -1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.297 1.382 -1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.251 1.941 -4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.485 1.845 -4.478 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.546 0.808 -5.460 1.00 0.00 H new ATOM 1019 N LYS A 62 -6.598 -3.961 -4.732 1.00 0.00 N ATOM 1020 CA LYS A 62 -7.303 -4.809 -5.686 1.00 0.00 C ATOM 1021 C LYS A 62 -7.539 -6.202 -5.126 1.00 0.00 C ATOM 1022 O LYS A 62 -8.158 -7.043 -5.777 1.00 0.00 O ATOM 1023 CB LYS A 62 -6.503 -4.913 -6.979 1.00 0.00 C ATOM 1024 CG LYS A 62 -6.537 -3.650 -7.815 1.00 0.00 C ATOM 1025 CD LYS A 62 -5.700 -3.804 -9.068 1.00 0.00 C ATOM 1026 CE LYS A 62 -5.692 -2.530 -9.891 1.00 0.00 C ATOM 1027 NZ LYS A 62 -4.866 -2.670 -11.120 1.00 0.00 N ATOM 0 H LYS A 62 -5.609 -4.184 -4.619 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.272 -4.351 -5.884 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.467 -5.151 -6.738 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.891 -5.742 -7.571 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.567 -3.418 -8.088 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.166 -2.811 -7.227 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.678 -4.068 -8.794 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.091 -4.625 -9.670 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.714 -2.270 -10.168 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.307 -1.709 -9.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.886 -1.778 -11.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.885 -2.893 -10.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.248 -3.436 -11.710 1.00 0.00 H new ATOM 1041 N LEU A 63 -7.047 -6.449 -3.919 1.00 0.00 N ATOM 1042 CA LEU A 63 -7.207 -7.756 -3.299 1.00 0.00 C ATOM 1043 C LEU A 63 -8.388 -7.773 -2.335 1.00 0.00 C ATOM 1044 O LEU A 63 -9.142 -6.802 -2.238 1.00 0.00 O ATOM 1045 CB LEU A 63 -5.919 -8.166 -2.581 1.00 0.00 C ATOM 1046 CG LEU A 63 -4.995 -9.097 -3.378 1.00 0.00 C ATOM 1047 CD1 LEU A 63 -5.612 -10.480 -3.515 1.00 0.00 C ATOM 1048 CD2 LEU A 63 -4.693 -8.515 -4.750 1.00 0.00 C ATOM 0 H LEU A 63 -6.539 -5.768 -3.355 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.414 -8.479 -4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.364 -7.265 -2.321 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.184 -8.658 -1.645 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.057 -9.189 -2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.940 -11.123 -4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.772 -10.907 -2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.567 -10.403 -4.035 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.037 -9.192 -5.296 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.623 -8.386 -5.303 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.202 -7.548 -4.635 1.00 0.00 H new ATOM 1060 N SER A 64 -8.541 -8.884 -1.626 1.00 0.00 N ATOM 1061 CA SER A 64 -9.632 -9.050 -0.679 1.00 0.00 C ATOM 1062 C SER A 64 -9.350 -8.322 0.639 1.00 0.00 C ATOM 1063 O SER A 64 -8.214 -7.944 0.919 1.00 0.00 O ATOM 1064 CB SER A 64 -9.862 -10.544 -0.434 1.00 0.00 C ATOM 1065 OG SER A 64 -10.209 -11.208 -1.639 1.00 0.00 O ATOM 0 H SER A 64 -7.917 -9.688 -1.691 1.00 0.00 H new ATOM 0 HA SER A 64 -10.533 -8.606 -1.103 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.960 -10.991 -0.015 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.656 -10.678 0.301 1.00 0.00 H new ATOM 0 HG SER A 64 -10.349 -12.161 -1.459 1.00 0.00 H new ATOM 1071 N PRO A 65 -10.399 -8.099 1.459 1.00 0.00 N ATOM 1072 CA PRO A 65 -10.273 -7.417 2.760 1.00 0.00 C ATOM 1073 C PRO A 65 -9.280 -8.093 3.715 1.00 0.00 C ATOM 1074 O PRO A 65 -8.714 -7.439 4.591 1.00 0.00 O ATOM 1075 CB PRO A 65 -11.691 -7.480 3.334 1.00 0.00 C ATOM 1076 CG PRO A 65 -12.581 -7.654 2.152 1.00 0.00 C ATOM 1077 CD PRO A 65 -11.801 -8.470 1.170 1.00 0.00 C ATOM 0 HA PRO A 65 -9.883 -6.407 2.637 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.797 -8.310 4.033 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.936 -6.570 3.881 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -13.507 -8.157 2.431 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.858 -6.690 1.726 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -11.972 -9.538 1.308 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -12.076 -8.234 0.142 1.00 0.00 H new ATOM 1085 N ALA A 66 -9.087 -9.402 3.557 1.00 0.00 N ATOM 1086 CA ALA A 66 -8.163 -10.158 4.404 1.00 0.00 C ATOM 1087 C ALA A 66 -6.705 -9.814 4.091 1.00 0.00 C ATOM 1088 O ALA A 66 -5.823 -9.982 4.934 1.00 0.00 O ATOM 1089 CB ALA A 66 -8.403 -11.650 4.228 1.00 0.00 C ATOM 0 H ALA A 66 -9.559 -9.963 2.848 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.352 -9.882 5.441 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.712 -12.207 4.861 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.428 -11.890 4.511 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.241 -11.924 3.186 1.00 0.00 H new ATOM 1095 N ASP A 67 -6.462 -9.329 2.873 1.00 0.00 N ATOM 1096 CA ASP A 67 -5.116 -8.961 2.435 1.00 0.00 C ATOM 1097 C ASP A 67 -4.658 -7.638 3.051 1.00 0.00 C ATOM 1098 O ASP A 67 -3.507 -7.511 3.473 1.00 0.00 O ATOM 1099 CB ASP A 67 -5.072 -8.868 0.908 1.00 0.00 C ATOM 1100 CG ASP A 67 -5.229 -10.223 0.246 1.00 0.00 C ATOM 1101 OD1 ASP A 67 -6.384 -10.629 -0.009 1.00 0.00 O ATOM 1102 OD2 ASP A 67 -4.200 -10.879 -0.016 1.00 0.00 O ATOM 0 H ASP A 67 -7.185 -9.181 2.169 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.433 -9.739 2.776 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.864 -8.203 0.563 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.126 -8.423 0.600 1.00 0.00 H new ATOM 1107 N VAL A 68 -5.562 -6.659 3.107 1.00 0.00 N ATOM 1108 CA VAL A 68 -5.235 -5.343 3.666 1.00 0.00 C ATOM 1109 C VAL A 68 -5.091 -5.399 5.186 1.00 0.00 C ATOM 1110 O VAL A 68 -4.331 -4.623 5.764 1.00 0.00 O ATOM 1111 CB VAL A 68 -6.274 -4.256 3.301 1.00 0.00 C ATOM 1112 CG1 VAL A 68 -6.071 -3.764 1.877 1.00 0.00 C ATOM 1113 CG2 VAL A 68 -7.696 -4.755 3.495 1.00 0.00 C ATOM 0 H VAL A 68 -6.522 -6.750 2.774 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.281 -5.067 3.216 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.119 -3.418 3.980 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.814 -3.001 1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.072 -3.339 1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.181 -4.599 1.185 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.398 -3.965 3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.867 -5.623 2.858 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.844 -5.036 4.538 1.00 0.00 H new ATOM 1123 N GLN A 69 -5.846 -6.301 5.820 1.00 0.00 N ATOM 1124 CA GLN A 69 -5.826 -6.465 7.278 1.00 0.00 C ATOM 1125 C GLN A 69 -4.404 -6.626 7.817 1.00 0.00 C ATOM 1126 O GLN A 69 -4.060 -6.060 8.853 1.00 0.00 O ATOM 1127 CB GLN A 69 -6.674 -7.674 7.682 1.00 0.00 C ATOM 1128 CG GLN A 69 -7.315 -7.540 9.055 1.00 0.00 C ATOM 1129 CD GLN A 69 -8.548 -6.658 9.035 1.00 0.00 C ATOM 1130 OE1 GLN A 69 -9.652 -7.121 8.754 1.00 0.00 O ATOM 1131 NE2 GLN A 69 -8.364 -5.376 9.330 1.00 0.00 N ATOM 0 H GLN A 69 -6.485 -6.935 5.341 1.00 0.00 H new ATOM 0 HA GLN A 69 -6.245 -5.559 7.715 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.457 -7.822 6.938 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.048 -8.566 7.668 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -7.585 -8.529 9.425 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.588 -7.127 9.754 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -7.430 -5.034 9.557 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.156 -4.734 9.329 1.00 0.00 H new ATOM 1140 N ALA A 70 -3.583 -7.392 7.098 1.00 0.00 N ATOM 1141 CA ALA A 70 -2.199 -7.635 7.494 1.00 0.00 C ATOM 1142 C ALA A 70 -1.365 -6.355 7.455 1.00 0.00 C ATOM 1143 O ALA A 70 -0.501 -6.145 8.305 1.00 0.00 O ATOM 1144 CB ALA A 70 -1.581 -8.698 6.595 1.00 0.00 C ATOM 0 H ALA A 70 -3.857 -7.857 6.232 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.203 -7.991 8.524 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.548 -8.874 6.896 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.148 -9.625 6.684 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.604 -8.357 5.560 1.00 0.00 H new ATOM 1150 N ARG A 71 -1.642 -5.498 6.473 1.00 0.00 N ATOM 1151 CA ARG A 71 -0.914 -4.241 6.310 1.00 0.00 C ATOM 1152 C ARG A 71 -1.293 -3.218 7.378 1.00 0.00 C ATOM 1153 O ARG A 71 -0.447 -2.450 7.830 1.00 0.00 O ATOM 1154 CB ARG A 71 -1.174 -3.666 4.922 1.00 0.00 C ATOM 1155 CG ARG A 71 -0.092 -2.710 4.445 1.00 0.00 C ATOM 1156 CD ARG A 71 -0.513 -1.965 3.190 1.00 0.00 C ATOM 1157 NE ARG A 71 0.515 -1.030 2.741 1.00 0.00 N ATOM 1158 CZ ARG A 71 0.290 -0.040 1.882 1.00 0.00 C ATOM 1159 NH1 ARG A 71 -0.923 0.147 1.381 1.00 0.00 N ATOM 1160 NH2 ARG A 71 1.281 0.761 1.518 1.00 0.00 N ATOM 0 H ARG A 71 -2.369 -5.653 5.775 1.00 0.00 H new ATOM 0 HA ARG A 71 0.148 -4.458 6.425 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.262 -4.486 4.209 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.131 -3.144 4.928 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.134 -1.994 5.235 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.824 -3.267 4.248 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.724 -2.681 2.396 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.438 -1.422 3.383 1.00 0.00 H new ATOM 0 HE ARG A 71 1.460 -1.143 3.107 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.688 -0.470 1.654 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.091 0.908 0.722 1.00 0.00 H new ATOM 0 HH21 ARG A 71 2.217 0.618 1.897 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.107 1.520 0.859 1.00 0.00 H new ATOM 1174 N ILE A 72 -2.564 -3.205 7.773 1.00 0.00 N ATOM 1175 CA ILE A 72 -3.031 -2.278 8.801 1.00 0.00 C ATOM 1176 C ILE A 72 -2.446 -2.664 10.163 1.00 0.00 C ATOM 1177 O ILE A 72 -2.232 -1.812 11.028 1.00 0.00 O ATOM 1178 CB ILE A 72 -4.579 -2.248 8.874 1.00 0.00 C ATOM 1179 CG1 ILE A 72 -5.170 -1.828 7.526 1.00 0.00 C ATOM 1180 CG2 ILE A 72 -5.059 -1.300 9.967 1.00 0.00 C ATOM 1181 CD1 ILE A 72 -6.420 -2.595 7.148 1.00 0.00 C ATOM 0 H ILE A 72 -3.285 -3.822 7.399 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.689 -1.279 8.533 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.921 -3.254 9.116 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.402 -0.763 7.556 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.418 -1.969 6.749 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.149 -1.299 9.995 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.671 -1.630 10.931 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.701 -0.292 9.758 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.783 -2.245 6.182 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.189 -3.658 7.085 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.188 -2.434 7.904 1.00 0.00 H new ATOM 1193 N ASN A 73 -2.170 -3.958 10.327 1.00 0.00 N ATOM 1194 CA ASN A 73 -1.606 -4.484 11.567 1.00 0.00 C ATOM 1195 C ASN A 73 -0.138 -4.094 11.730 1.00 0.00 C ATOM 1196 O ASN A 73 0.277 -3.676 12.811 1.00 0.00 O ATOM 1197 CB ASN A 73 -1.736 -6.009 11.606 1.00 0.00 C ATOM 1198 CG ASN A 73 -3.143 -6.470 11.940 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -3.899 -5.768 12.610 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -3.502 -7.660 11.470 1.00 0.00 N ATOM 0 H ASN A 73 -2.330 -4.665 9.609 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.169 -4.046 12.391 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.444 -6.419 10.639 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.042 -6.410 12.345 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.436 -8.023 11.661 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.844 -8.210 10.918 1.00 0.00 H new ATOM 1207 N VAL A 74 0.651 -4.233 10.659 1.00 0.00 N ATOM 1208 CA VAL A 74 2.072 -3.893 10.723 1.00 0.00 C ATOM 1209 C VAL A 74 2.283 -2.383 10.737 1.00 0.00 C ATOM 1210 O VAL A 74 3.174 -1.885 11.419 1.00 0.00 O ATOM 1211 CB VAL A 74 2.888 -4.514 9.564 1.00 0.00 C ATOM 1212 CG1 VAL A 74 3.159 -5.988 9.828 1.00 0.00 C ATOM 1213 CG2 VAL A 74 2.183 -4.331 8.231 1.00 0.00 C ATOM 0 H VAL A 74 0.334 -4.574 9.751 1.00 0.00 H new ATOM 0 HA VAL A 74 2.437 -4.318 11.658 1.00 0.00 H new ATOM 0 HB VAL A 74 3.842 -3.990 9.511 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.734 -6.406 9.002 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.725 -6.094 10.754 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.213 -6.521 9.918 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.782 -4.778 7.438 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.207 -4.816 8.266 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.053 -3.267 8.031 1.00 0.00 H new ATOM 1223 N LEU A 75 1.450 -1.658 9.990 1.00 0.00 N ATOM 1224 CA LEU A 75 1.546 -0.200 9.913 1.00 0.00 C ATOM 1225 C LEU A 75 1.307 0.445 11.274 1.00 0.00 C ATOM 1226 O LEU A 75 1.944 1.441 11.616 1.00 0.00 O ATOM 1227 CB LEU A 75 0.538 0.337 8.898 1.00 0.00 C ATOM 1228 CG LEU A 75 1.024 1.525 8.070 1.00 0.00 C ATOM 1229 CD1 LEU A 75 2.098 1.085 7.091 1.00 0.00 C ATOM 1230 CD2 LEU A 75 -0.134 2.172 7.332 1.00 0.00 C ATOM 0 H LEU A 75 0.699 -2.058 9.428 1.00 0.00 H new ATOM 0 HA LEU A 75 2.556 0.054 9.591 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.263 -0.471 8.220 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.368 0.630 9.429 1.00 0.00 H new ATOM 0 HG LEU A 75 1.454 2.263 8.747 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.433 1.943 6.509 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.942 0.667 7.640 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.691 0.328 6.420 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.233 3.016 6.748 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.594 1.442 6.666 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.874 2.523 8.052 1.00 0.00 H new ATOM 1242 N ARG A 76 0.400 -0.140 12.047 1.00 0.00 N ATOM 1243 CA ARG A 76 0.060 0.373 13.365 1.00 0.00 C ATOM 1244 C ARG A 76 1.203 0.201 14.367 1.00 0.00 C ATOM 1245 O ARG A 76 1.462 1.090 15.177 1.00 0.00 O ATOM 1246 CB ARG A 76 -1.193 -0.336 13.875 1.00 0.00 C ATOM 1247 CG ARG A 76 -2.132 0.575 14.639 1.00 0.00 C ATOM 1248 CD ARG A 76 -3.168 1.199 13.721 1.00 0.00 C ATOM 1249 NE ARG A 76 -4.123 2.023 14.457 1.00 0.00 N ATOM 1250 CZ ARG A 76 -5.175 2.616 13.896 1.00 0.00 C ATOM 1251 NH1 ARG A 76 -5.405 2.473 12.598 1.00 0.00 N ATOM 1252 NH2 ARG A 76 -5.999 3.348 14.634 1.00 0.00 N ATOM 0 H ARG A 76 -0.117 -0.978 11.779 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.125 1.443 13.270 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.727 -0.768 13.028 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.896 -1.163 14.520 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.633 0.008 15.423 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.559 1.361 15.131 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.667 1.809 12.969 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.702 0.412 13.189 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.976 2.152 15.458 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.776 1.908 12.028 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.211 2.928 12.170 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.827 3.458 15.633 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.804 3.801 14.202 1.00 0.00 H new ATOM 1266 N ALA A 77 1.889 -0.935 14.306 1.00 0.00 N ATOM 1267 CA ALA A 77 2.982 -1.219 15.235 1.00 0.00 C ATOM 1268 C ALA A 77 4.330 -0.669 14.764 1.00 0.00 C ATOM 1269 O ALA A 77 5.245 -0.505 15.572 1.00 0.00 O ATOM 1270 CB ALA A 77 3.079 -2.716 15.476 1.00 0.00 C ATOM 0 H ALA A 77 1.710 -1.674 13.626 1.00 0.00 H new ATOM 0 HA ALA A 77 2.747 -0.706 16.168 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.895 -2.921 16.169 1.00 0.00 H new ATOM 0 HB2 ALA A 77 2.143 -3.078 15.901 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.269 -3.225 14.531 1.00 0.00 H new ATOM 1276 N HIS A 78 4.455 -0.377 13.470 1.00 0.00 N ATOM 1277 CA HIS A 78 5.717 0.130 12.921 1.00 0.00 C ATOM 1278 C HIS A 78 5.891 1.635 13.140 1.00 0.00 C ATOM 1279 O HIS A 78 6.963 2.180 12.876 1.00 0.00 O ATOM 1280 CB HIS A 78 5.823 -0.202 11.429 1.00 0.00 C ATOM 1281 CG HIS A 78 6.518 -1.505 11.167 1.00 0.00 C ATOM 1282 ND1 HIS A 78 7.801 -1.588 10.671 1.00 0.00 N ATOM 1283 CD2 HIS A 78 6.110 -2.783 11.357 1.00 0.00 C ATOM 1284 CE1 HIS A 78 8.151 -2.858 10.568 1.00 0.00 C ATOM 1285 NE2 HIS A 78 7.143 -3.600 10.979 1.00 0.00 N ATOM 0 H HIS A 78 3.706 -0.481 12.785 1.00 0.00 H new ATOM 0 HA HIS A 78 6.521 -0.369 13.462 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.822 -0.237 10.998 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.361 0.599 10.921 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.149 -3.099 11.736 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.101 -3.225 10.208 1.00 0.00 H new ATOM 0 HE2 HIS A 78 7.133 -4.619 11.011 1.00 0.00 H new ATOM 1294 N GLY A 79 4.845 2.302 13.621 1.00 0.00 N ATOM 1295 CA GLY A 79 4.932 3.733 13.871 1.00 0.00 C ATOM 1296 C GLY A 79 4.229 4.564 12.816 1.00 0.00 C ATOM 1297 O GLY A 79 4.165 5.789 12.924 1.00 0.00 O ATOM 0 H GLY A 79 3.943 1.881 13.842 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.498 3.953 14.847 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.981 4.025 13.916 1.00 0.00 H new ATOM 1301 N TYR A 80 3.693 3.896 11.801 1.00 0.00 N ATOM 1302 CA TYR A 80 2.983 4.573 10.719 1.00 0.00 C ATOM 1303 C TYR A 80 1.473 4.499 10.958 1.00 0.00 C ATOM 1304 O TYR A 80 0.694 4.159 10.069 1.00 0.00 O ATOM 1305 CB TYR A 80 3.369 3.942 9.377 1.00 0.00 C ATOM 1306 CG TYR A 80 4.850 4.047 9.070 1.00 0.00 C ATOM 1307 CD1 TYR A 80 5.406 5.245 8.638 1.00 0.00 C ATOM 1308 CD2 TYR A 80 5.689 2.950 9.218 1.00 0.00 C ATOM 1309 CE1 TYR A 80 6.758 5.345 8.361 1.00 0.00 C ATOM 1310 CE2 TYR A 80 7.041 3.043 8.943 1.00 0.00 C ATOM 1311 CZ TYR A 80 7.570 4.241 8.514 1.00 0.00 C ATOM 1312 OH TYR A 80 8.916 4.330 8.234 1.00 0.00 O ATOM 0 H TYR A 80 3.736 2.882 11.704 1.00 0.00 H new ATOM 0 HA TYR A 80 3.266 5.625 10.695 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.079 2.891 9.381 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.804 4.426 8.580 1.00 0.00 H new ATOM 0 HD1 TYR A 80 4.773 6.112 8.517 1.00 0.00 H new ATOM 0 HD2 TYR A 80 5.279 2.009 9.553 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.175 6.283 8.027 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.680 2.180 9.064 1.00 0.00 H new ATOM 0 HH TYR A 80 9.039 4.673 7.324 1.00 0.00 H new ATOM 1322 N GLN A 81 1.090 4.836 12.188 1.00 0.00 N ATOM 1323 CA GLN A 81 -0.304 4.814 12.640 1.00 0.00 C ATOM 1324 C GLN A 81 -1.178 5.833 11.911 1.00 0.00 C ATOM 1325 O GLN A 81 -2.316 5.529 11.552 1.00 0.00 O ATOM 1326 CB GLN A 81 -0.362 5.084 14.143 1.00 0.00 C ATOM 1327 CG GLN A 81 0.254 3.985 14.990 1.00 0.00 C ATOM 1328 CD GLN A 81 0.255 4.322 16.467 1.00 0.00 C ATOM 1329 OE1 GLN A 81 1.210 4.903 16.981 1.00 0.00 O ATOM 1330 NE2 GLN A 81 -0.818 3.958 17.158 1.00 0.00 N ATOM 0 H GLN A 81 1.746 5.136 12.909 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.697 3.823 12.412 1.00 0.00 H new ATOM 0 HB2 GLN A 81 0.151 6.022 14.354 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.403 5.217 14.438 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.297 3.058 14.833 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.278 3.807 14.660 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.587 3.478 16.690 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.874 4.158 18.157 1.00 0.00 H new ATOM 1339 N ALA A 82 -0.648 7.044 11.713 1.00 0.00 N ATOM 1340 CA ALA A 82 -1.383 8.110 11.028 1.00 0.00 C ATOM 1341 C ALA A 82 -1.786 7.680 9.621 1.00 0.00 C ATOM 1342 O ALA A 82 -2.847 8.057 9.119 1.00 0.00 O ATOM 1343 CB ALA A 82 -0.541 9.377 10.977 1.00 0.00 C ATOM 0 H ALA A 82 0.288 7.310 12.018 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.294 8.314 11.591 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.097 10.163 10.466 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.307 9.699 11.992 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.385 9.177 10.437 1.00 0.00 H new ATOM 1349 N LEU A 83 -0.923 6.886 9.000 1.00 0.00 N ATOM 1350 CA LEU A 83 -1.157 6.372 7.659 1.00 0.00 C ATOM 1351 C LEU A 83 -2.217 5.271 7.668 1.00 0.00 C ATOM 1352 O LEU A 83 -3.017 5.160 6.737 1.00 0.00 O ATOM 1353 CB LEU A 83 0.156 5.830 7.094 1.00 0.00 C ATOM 1354 CG LEU A 83 1.088 6.891 6.509 1.00 0.00 C ATOM 1355 CD1 LEU A 83 2.535 6.564 6.832 1.00 0.00 C ATOM 1356 CD2 LEU A 83 0.891 7.005 5.008 1.00 0.00 C ATOM 0 H LEU A 83 -0.042 6.581 9.413 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.524 7.184 7.031 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.684 5.299 7.886 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.073 5.100 6.318 1.00 0.00 H new ATOM 0 HG LEU A 83 0.842 7.852 6.962 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.184 7.330 6.408 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.668 6.533 7.913 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.792 5.594 6.407 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.563 7.765 4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.109 6.046 4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.141 7.286 4.797 1.00 0.00 H new ATOM 1368 N ALA A 84 -2.226 4.476 8.741 1.00 0.00 N ATOM 1369 CA ALA A 84 -3.164 3.361 8.885 1.00 0.00 C ATOM 1370 C ALA A 84 -4.600 3.833 9.106 1.00 0.00 C ATOM 1371 O ALA A 84 -5.542 3.072 8.894 1.00 0.00 O ATOM 1372 CB ALA A 84 -2.723 2.452 10.027 1.00 0.00 C ATOM 0 H ALA A 84 -1.588 4.586 9.529 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.152 2.803 7.949 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.427 1.626 10.127 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.729 2.059 9.816 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.698 3.021 10.956 1.00 0.00 H new ATOM 1378 N ASP A 85 -4.765 5.083 9.531 1.00 0.00 N ATOM 1379 CA ASP A 85 -6.093 5.640 9.778 1.00 0.00 C ATOM 1380 C ASP A 85 -6.696 6.236 8.506 1.00 0.00 C ATOM 1381 O ASP A 85 -7.918 6.292 8.356 1.00 0.00 O ATOM 1382 CB ASP A 85 -6.020 6.710 10.869 1.00 0.00 C ATOM 1383 CG ASP A 85 -7.300 6.802 11.674 1.00 0.00 C ATOM 1384 OD1 ASP A 85 -7.470 5.995 12.613 1.00 0.00 O ATOM 1385 OD2 ASP A 85 -8.134 7.680 11.366 1.00 0.00 O ATOM 0 H ASP A 85 -3.997 5.729 9.712 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.739 4.827 10.109 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.189 6.487 11.538 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.811 7.677 10.412 1.00 0.00 H new ATOM 1390 N LYS A 86 -5.833 6.669 7.591 1.00 0.00 N ATOM 1391 CA LYS A 86 -6.279 7.277 6.340 1.00 0.00 C ATOM 1392 C LYS A 86 -6.781 6.234 5.340 1.00 0.00 C ATOM 1393 O LYS A 86 -7.868 6.380 4.783 1.00 0.00 O ATOM 1394 CB LYS A 86 -5.148 8.101 5.720 1.00 0.00 C ATOM 1395 CG LYS A 86 -4.895 9.414 6.442 1.00 0.00 C ATOM 1396 CD LYS A 86 -3.783 10.212 5.780 1.00 0.00 C ATOM 1397 CE LYS A 86 -3.504 11.506 6.529 1.00 0.00 C ATOM 1398 NZ LYS A 86 -4.543 12.539 6.263 1.00 0.00 N ATOM 0 H LYS A 86 -4.820 6.610 7.692 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.117 7.932 6.577 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.232 7.510 5.725 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.388 8.308 4.677 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.810 10.005 6.454 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.631 9.214 7.480 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.875 9.610 5.741 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.060 10.439 4.750 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.460 11.303 7.599 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.527 11.891 6.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.315 13.405 6.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.568 12.752 5.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.472 12.183 6.565 1.00 0.00 H new ATOM 1412 N LEU A 87 -5.997 5.178 5.125 1.00 0.00 N ATOM 1413 CA LEU A 87 -6.374 4.131 4.174 1.00 0.00 C ATOM 1414 C LEU A 87 -7.516 3.258 4.699 1.00 0.00 C ATOM 1415 O LEU A 87 -8.259 2.676 3.912 1.00 0.00 O ATOM 1416 CB LEU A 87 -5.162 3.252 3.821 1.00 0.00 C ATOM 1417 CG LEU A 87 -4.341 2.736 5.010 1.00 0.00 C ATOM 1418 CD1 LEU A 87 -4.788 1.338 5.407 1.00 0.00 C ATOM 1419 CD2 LEU A 87 -2.859 2.737 4.668 1.00 0.00 C ATOM 0 H LEU A 87 -5.103 5.025 5.592 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.727 4.634 3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.514 2.394 3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.501 3.823 3.168 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.507 3.403 5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.193 0.992 6.252 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.841 1.359 5.689 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.652 0.660 4.565 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.289 2.369 5.521 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.684 2.091 3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.541 3.752 4.430 1.00 0.00 H new ATOM 1431 N ASN A 88 -7.652 3.170 6.022 1.00 0.00 N ATOM 1432 CA ASN A 88 -8.699 2.353 6.639 1.00 0.00 C ATOM 1433 C ASN A 88 -10.095 2.925 6.390 1.00 0.00 C ATOM 1434 O ASN A 88 -11.052 2.177 6.192 1.00 0.00 O ATOM 1435 CB ASN A 88 -8.459 2.233 8.144 1.00 0.00 C ATOM 1436 CG ASN A 88 -8.978 0.927 8.711 1.00 0.00 C ATOM 1437 OD1 ASN A 88 -8.284 -0.089 8.695 1.00 0.00 O ATOM 1438 ND2 ASN A 88 -10.205 0.946 9.218 1.00 0.00 N ATOM 0 H ASN A 88 -7.050 3.654 6.688 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.652 1.367 6.177 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.391 2.314 8.346 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.944 3.065 8.654 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.606 0.096 9.614 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -10.746 1.810 9.211 1.00 0.00 H new ATOM 1445 N LYS A 89 -10.204 4.251 6.393 1.00 0.00 N ATOM 1446 CA LYS A 89 -11.491 4.910 6.194 1.00 0.00 C ATOM 1447 C LYS A 89 -11.950 4.849 4.739 1.00 0.00 C ATOM 1448 O LYS A 89 -13.115 4.554 4.467 1.00 0.00 O ATOM 1449 CB LYS A 89 -11.425 6.364 6.664 1.00 0.00 C ATOM 1450 CG LYS A 89 -12.768 6.906 7.119 1.00 0.00 C ATOM 1451 CD LYS A 89 -12.709 8.395 7.411 1.00 0.00 C ATOM 1452 CE LYS A 89 -14.088 8.942 7.741 1.00 0.00 C ATOM 1453 NZ LYS A 89 -14.499 8.607 9.132 1.00 0.00 N ATOM 0 H LYS A 89 -9.419 4.888 6.531 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.225 4.370 6.793 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.712 6.442 7.485 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.046 6.985 5.852 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.516 6.717 6.349 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.090 6.373 8.014 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.032 8.579 8.245 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.302 8.922 6.548 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.090 10.024 7.613 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.817 8.537 7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -15.445 8.998 9.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.522 7.574 9.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.818 9.015 9.803 1.00 0.00 H new ATOM 1467 N TYR A 90 -11.038 5.130 3.809 1.00 0.00 N ATOM 1468 CA TYR A 90 -11.357 5.100 2.381 1.00 0.00 C ATOM 1469 C TYR A 90 -11.679 3.680 1.927 1.00 0.00 C ATOM 1470 O TYR A 90 -12.410 3.474 0.958 1.00 0.00 O ATOM 1471 CB TYR A 90 -10.192 5.658 1.564 1.00 0.00 C ATOM 1472 CG TYR A 90 -10.120 7.166 1.574 1.00 0.00 C ATOM 1473 CD1 TYR A 90 -10.865 7.922 0.680 1.00 0.00 C ATOM 1474 CD2 TYR A 90 -9.310 7.835 2.482 1.00 0.00 C ATOM 1475 CE1 TYR A 90 -10.804 9.302 0.689 1.00 0.00 C ATOM 1476 CE2 TYR A 90 -9.242 9.213 2.499 1.00 0.00 C ATOM 1477 CZ TYR A 90 -9.990 9.942 1.602 1.00 0.00 C ATOM 1478 OH TYR A 90 -9.923 11.316 1.618 1.00 0.00 O ATOM 0 H TYR A 90 -10.072 5.381 4.018 1.00 0.00 H new ATOM 0 HA TYR A 90 -12.236 5.723 2.217 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -9.258 5.255 1.955 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -10.282 5.313 0.534 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.503 7.423 -0.035 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.723 7.266 3.188 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.389 9.877 -0.014 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -8.606 9.717 3.212 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.278 11.671 0.776 1.00 0.00 H new ATOM 1488 N LEU A 91 -11.119 2.710 2.637 1.00 0.00 N ATOM 1489 CA LEU A 91 -11.331 1.302 2.337 1.00 0.00 C ATOM 1490 C LEU A 91 -12.763 0.871 2.660 1.00 0.00 C ATOM 1491 O LEU A 91 -13.357 0.074 1.936 1.00 0.00 O ATOM 1492 CB LEU A 91 -10.333 0.465 3.131 1.00 0.00 C ATOM 1493 CG LEU A 91 -10.564 -1.040 3.096 1.00 0.00 C ATOM 1494 CD1 LEU A 91 -9.659 -1.690 2.061 1.00 0.00 C ATOM 1495 CD2 LEU A 91 -10.327 -1.632 4.475 1.00 0.00 C ATOM 0 H LEU A 91 -10.506 2.877 3.435 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.176 1.146 1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.332 0.670 2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -10.355 0.794 4.170 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.597 -1.236 2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.835 -2.766 2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.875 -1.275 1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.617 -1.496 2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.494 -2.709 4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.301 -1.433 4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.016 -1.179 5.188 1.00 0.00 H new ATOM 1507 N THR A 92 -13.311 1.406 3.750 1.00 0.00 N ATOM 1508 CA THR A 92 -14.672 1.075 4.168 1.00 0.00 C ATOM 1509 C THR A 92 -15.681 2.104 3.657 1.00 0.00 C ATOM 1510 O THR A 92 -16.822 2.149 4.123 1.00 0.00 O ATOM 1511 CB THR A 92 -14.789 0.962 5.702 1.00 0.00 C ATOM 1512 OG1 THR A 92 -13.563 0.467 6.255 1.00 0.00 O ATOM 1513 CG2 THR A 92 -15.936 0.032 6.083 1.00 0.00 C ATOM 0 H THR A 92 -12.834 2.070 4.359 1.00 0.00 H new ATOM 0 HA THR A 92 -14.902 0.104 3.728 1.00 0.00 H new ATOM 0 HB THR A 92 -14.991 1.954 6.106 1.00 0.00 H new ATOM 0 HG1 THR A 92 -12.882 1.170 6.222 1.00 0.00 H new ATOM 0 HG21 THR A 92 -16.004 -0.036 7.169 1.00 0.00 H new ATOM 0 HG22 THR A 92 -16.871 0.426 5.685 1.00 0.00 H new ATOM 0 HG23 THR A 92 -15.754 -0.959 5.668 1.00 0.00 H new ATOM 1521 N LEU A 93 -15.247 2.936 2.708 1.00 0.00 N ATOM 1522 CA LEU A 93 -16.107 3.964 2.121 1.00 0.00 C ATOM 1523 C LEU A 93 -17.430 3.368 1.647 1.00 0.00 C ATOM 1524 O LEU A 93 -18.498 3.933 1.890 1.00 0.00 O ATOM 1525 CB LEU A 93 -15.399 4.639 0.945 1.00 0.00 C ATOM 1526 CG LEU A 93 -15.909 6.037 0.594 1.00 0.00 C ATOM 1527 CD1 LEU A 93 -15.268 7.081 1.491 1.00 0.00 C ATOM 1528 CD2 LEU A 93 -15.632 6.348 -0.868 1.00 0.00 C ATOM 0 H LEU A 93 -14.300 2.917 2.329 1.00 0.00 H new ATOM 0 HA LEU A 93 -16.316 4.705 2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -14.335 4.704 1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -15.500 4.002 0.067 1.00 0.00 H new ATOM 0 HG LEU A 93 -16.987 6.062 0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -15.644 8.069 1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -15.513 6.867 2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -14.186 7.057 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -16.000 7.346 -1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -14.559 6.304 -1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -16.138 5.616 -1.498 1.00 0.00 H new