USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 593 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 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 14 ASN : amide:sc= -0.135 K(o=-0.21,f=-2.4!) USER MOD Set 2.2: A 50 HIS : no HD1:sc= -0.0733 X(o=-0.21,f=-0.35) USER MOD Single : A 12 SER OG : rot 160:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -5.18! C(o=-5.2!,f=-4.8!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0863 K(o=-0.086,f=-1.5!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 15:sc= -2.06! USER MOD Single : A 42 GLN : amide:sc= -0.0447 K(o=-0.045,f=-1.5!) USER MOD Single : A 43 HIS : no HD1:sc= -0.0363 X(o=-0.036,f=0.002) USER MOD Single : A 46 GLN : amide:sc=-0.00809 X(o=-0.0081,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 158:sc= -0.0681 (180deg=-0.365) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.507 K(o=-0.51,f=-2.8!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 153:sc= -0.0385 (180deg=-1.51) USER MOD Single : A 63 GLN : amide:sc= -0.223 K(o=-0.22,f=-1.3) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -1.26 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -161:sc= -0.387 (180deg=-1.12) USER MOD ----------------------------------------------------------------- ATOM 119 N SER A 12 -5.794 20.629 6.490 1.00 0.00 N ATOM 120 CA SER A 12 -6.109 20.235 5.122 1.00 0.00 C ATOM 121 C SER A 12 -6.897 18.929 5.100 1.00 0.00 C ATOM 122 O SER A 12 -6.823 18.114 6.020 1.00 0.00 O ATOM 123 CB SER A 12 -4.825 20.084 4.304 1.00 0.00 C ATOM 124 OG SER A 12 -4.233 21.345 4.045 1.00 0.00 O ATOM 0 HA SER A 12 -6.724 21.017 4.677 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.119 19.451 4.843 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.047 19.583 3.362 1.00 0.00 H new ATOM 0 HG SER A 12 -3.288 21.222 3.817 1.00 0.00 H new ATOM 130 N PRO A 13 -7.671 18.724 4.024 1.00 0.00 N ATOM 131 CA PRO A 13 -8.487 17.518 3.855 1.00 0.00 C ATOM 132 C PRO A 13 -7.641 16.275 3.605 1.00 0.00 C ATOM 133 O PRO A 13 -7.863 15.229 4.214 1.00 0.00 O ATOM 134 CB PRO A 13 -9.342 17.839 2.626 1.00 0.00 C ATOM 135 CG PRO A 13 -8.547 18.841 1.862 1.00 0.00 C ATOM 136 CD PRO A 13 -7.807 19.652 2.889 1.00 0.00 C ATOM 0 HA PRO A 13 -9.068 17.290 4.749 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.530 16.946 2.030 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.314 18.241 2.914 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.854 18.350 1.179 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.196 19.475 1.257 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.835 19.979 2.519 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.360 20.549 3.167 1.00 0.00 H new ATOM 144 N ASN A 14 -6.670 16.397 2.706 1.00 0.00 N ATOM 145 CA ASN A 14 -5.789 15.281 2.376 1.00 0.00 C ATOM 146 C ASN A 14 -5.059 14.779 3.617 1.00 0.00 C ATOM 147 O ASN A 14 -5.024 13.578 3.888 1.00 0.00 O ATOM 148 CB ASN A 14 -4.776 15.703 1.309 1.00 0.00 C ATOM 149 CG ASN A 14 -4.274 14.528 0.493 1.00 0.00 C ATOM 150 OD1 ASN A 14 -3.485 13.715 0.974 1.00 0.00 O ATOM 151 ND2 ASN A 14 -4.731 14.433 -0.751 1.00 0.00 N ATOM 0 H ASN A 14 -6.473 17.256 2.193 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.402 14.469 1.985 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.236 16.434 0.644 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.931 16.196 1.789 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.429 13.663 -1.348 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.384 15.130 -1.109 1.00 0.00 H new ATOM 158 N LEU A 15 -4.476 15.706 4.369 1.00 0.00 N ATOM 159 CA LEU A 15 -3.745 15.359 5.583 1.00 0.00 C ATOM 160 C LEU A 15 -4.644 14.613 6.564 1.00 0.00 C ATOM 161 O LEU A 15 -4.333 13.497 6.978 1.00 0.00 O ATOM 162 CB LEU A 15 -3.186 16.620 6.244 1.00 0.00 C ATOM 163 CG LEU A 15 -2.469 16.416 7.579 1.00 0.00 C ATOM 164 CD1 LEU A 15 -1.290 15.469 7.413 1.00 0.00 C ATOM 165 CD2 LEU A 15 -2.007 17.751 8.145 1.00 0.00 C ATOM 0 H LEU A 15 -4.495 16.704 4.159 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.918 14.705 5.306 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.491 17.093 5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.007 17.320 6.399 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.171 15.969 8.282 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.792 15.336 8.373 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.646 14.504 7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.586 15.887 6.694 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.499 17.587 9.095 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.321 18.226 7.444 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.870 18.398 8.302 1.00 0.00 H new ATOM 177 N GLN A 16 -5.759 15.237 6.929 1.00 0.00 N ATOM 178 CA GLN A 16 -6.703 14.631 7.860 1.00 0.00 C ATOM 179 C GLN A 16 -6.981 13.178 7.486 1.00 0.00 C ATOM 180 O GLN A 16 -6.838 12.275 8.311 1.00 0.00 O ATOM 181 CB GLN A 16 -8.012 15.423 7.881 1.00 0.00 C ATOM 182 CG GLN A 16 -9.006 14.929 8.920 1.00 0.00 C ATOM 183 CD GLN A 16 -9.350 13.462 8.747 1.00 0.00 C ATOM 184 OE1 GLN A 16 -9.841 13.048 7.696 1.00 0.00 O ATOM 185 NE2 GLN A 16 -9.093 12.668 9.779 1.00 0.00 N ATOM 0 H GLN A 16 -6.031 16.161 6.594 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.257 14.653 8.854 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.789 16.472 8.074 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.474 15.371 6.895 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.593 15.086 9.916 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.918 15.522 8.856 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.686 13.054 10.631 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.303 11.672 9.720 1.00 0.00 H new ATOM 194 N LYS A 17 -7.377 12.960 6.237 1.00 0.00 N ATOM 195 CA LYS A 17 -7.674 11.618 5.752 1.00 0.00 C ATOM 196 C LYS A 17 -6.480 10.690 5.951 1.00 0.00 C ATOM 197 O LYS A 17 -6.643 9.493 6.185 1.00 0.00 O ATOM 198 CB LYS A 17 -8.058 11.661 4.271 1.00 0.00 C ATOM 199 CG LYS A 17 -8.325 10.292 3.671 1.00 0.00 C ATOM 200 CD LYS A 17 -9.112 10.395 2.375 1.00 0.00 C ATOM 201 CE LYS A 17 -9.703 9.052 1.974 1.00 0.00 C ATOM 202 NZ LYS A 17 -10.448 9.136 0.687 1.00 0.00 N ATOM 0 H LYS A 17 -7.500 13.696 5.542 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.514 11.229 6.328 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.948 12.280 4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.257 12.144 3.711 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.378 9.785 3.484 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.877 9.682 4.386 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.912 11.126 2.491 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.461 10.759 1.580 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.904 8.316 1.884 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.373 8.701 2.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.835 8.201 0.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.226 9.820 0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.803 9.446 -0.068 1.00 0.00 H new ATOM 216 N ALA A 18 -5.279 11.252 5.858 1.00 0.00 N ATOM 217 CA ALA A 18 -4.057 10.476 6.032 1.00 0.00 C ATOM 218 C ALA A 18 -3.953 9.926 7.450 1.00 0.00 C ATOM 219 O ALA A 18 -3.612 8.760 7.651 1.00 0.00 O ATOM 220 CB ALA A 18 -2.840 11.327 5.702 1.00 0.00 C ATOM 0 H ALA A 18 -5.126 12.242 5.663 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.092 9.630 5.345 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.935 10.735 5.836 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.902 11.665 4.668 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.810 12.191 6.365 1.00 0.00 H new ATOM 226 N ILE A 19 -4.247 10.773 8.431 1.00 0.00 N ATOM 227 CA ILE A 19 -4.186 10.371 9.831 1.00 0.00 C ATOM 228 C ILE A 19 -5.127 9.204 10.109 1.00 0.00 C ATOM 229 O ILE A 19 -4.693 8.130 10.527 1.00 0.00 O ATOM 230 CB ILE A 19 -4.545 11.540 10.768 1.00 0.00 C ATOM 231 CG1 ILE A 19 -3.476 12.631 10.691 1.00 0.00 C ATOM 232 CG2 ILE A 19 -4.701 11.043 12.197 1.00 0.00 C ATOM 233 CD1 ILE A 19 -3.753 13.674 9.630 1.00 0.00 C ATOM 0 H ILE A 19 -4.530 11.742 8.282 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.159 10.061 10.026 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.495 11.966 10.446 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.399 13.122 11.661 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.510 12.168 10.491 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.955 11.880 12.848 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.495 10.298 12.238 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.765 10.595 12.531 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.955 14.416 9.632 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.801 13.195 8.652 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.704 14.164 9.841 1.00 0.00 H new ATOM 245 N ASP A 20 -6.416 9.420 9.871 1.00 0.00 N ATOM 246 CA ASP A 20 -7.419 8.385 10.093 1.00 0.00 C ATOM 247 C ASP A 20 -6.969 7.056 9.496 1.00 0.00 C ATOM 248 O ASP A 20 -6.947 6.031 10.179 1.00 0.00 O ATOM 249 CB ASP A 20 -8.758 8.804 9.485 1.00 0.00 C ATOM 250 CG ASP A 20 -9.940 8.203 10.220 1.00 0.00 C ATOM 251 OD1 ASP A 20 -9.942 8.234 11.468 1.00 0.00 O ATOM 252 OD2 ASP A 20 -10.865 7.702 9.546 1.00 0.00 O ATOM 0 H ASP A 20 -6.791 10.303 9.524 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.542 8.257 11.168 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.837 9.891 9.502 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.790 8.499 8.439 1.00 0.00 H new ATOM 257 N LEU A 21 -6.611 7.079 8.216 1.00 0.00 N ATOM 258 CA LEU A 21 -6.162 5.875 7.526 1.00 0.00 C ATOM 259 C LEU A 21 -5.062 5.172 8.315 1.00 0.00 C ATOM 260 O LEU A 21 -5.179 3.992 8.645 1.00 0.00 O ATOM 261 CB LEU A 21 -5.656 6.225 6.125 1.00 0.00 C ATOM 262 CG LEU A 21 -6.730 6.472 5.065 1.00 0.00 C ATOM 263 CD1 LEU A 21 -6.110 7.049 3.802 1.00 0.00 C ATOM 264 CD2 LEU A 21 -7.478 5.184 4.755 1.00 0.00 C ATOM 0 H LEU A 21 -6.623 7.918 7.636 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.012 5.197 7.441 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.034 7.117 6.198 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.013 5.415 5.780 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.443 7.197 5.458 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.889 7.218 3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.620 7.994 4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.375 6.349 3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.239 5.378 3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.777 4.437 4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.955 4.813 5.662 1.00 0.00 H new ATOM 276 N ALA A 22 -3.996 5.906 8.616 1.00 0.00 N ATOM 277 CA ALA A 22 -2.877 5.354 9.371 1.00 0.00 C ATOM 278 C ALA A 22 -3.353 4.721 10.674 1.00 0.00 C ATOM 279 O ALA A 22 -2.910 3.634 11.045 1.00 0.00 O ATOM 280 CB ALA A 22 -1.846 6.437 9.653 1.00 0.00 C ATOM 0 H ALA A 22 -3.883 6.884 8.349 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.413 4.574 8.768 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.016 6.011 10.217 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.475 6.840 8.711 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.307 7.236 10.233 1.00 0.00 H new ATOM 286 N SER A 23 -4.258 5.408 11.364 1.00 0.00 N ATOM 287 CA SER A 23 -4.791 4.914 12.629 1.00 0.00 C ATOM 288 C SER A 23 -5.539 3.600 12.427 1.00 0.00 C ATOM 289 O SER A 23 -5.313 2.626 13.146 1.00 0.00 O ATOM 290 CB SER A 23 -5.723 5.954 13.254 1.00 0.00 C ATOM 291 OG SER A 23 -5.935 5.687 14.630 1.00 0.00 O ATOM 0 H SER A 23 -4.637 6.308 11.069 1.00 0.00 H new ATOM 0 HA SER A 23 -3.953 4.735 13.303 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.294 6.949 13.135 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.678 5.953 12.729 1.00 0.00 H new ATOM 0 HG SER A 23 -6.532 6.366 15.007 1.00 0.00 H new ATOM 297 N LYS A 24 -6.431 3.579 11.443 1.00 0.00 N ATOM 298 CA LYS A 24 -7.213 2.386 11.143 1.00 0.00 C ATOM 299 C LYS A 24 -6.307 1.171 10.971 1.00 0.00 C ATOM 300 O LYS A 24 -6.533 0.125 11.579 1.00 0.00 O ATOM 301 CB LYS A 24 -8.044 2.600 9.876 1.00 0.00 C ATOM 302 CG LYS A 24 -9.283 1.725 9.806 1.00 0.00 C ATOM 303 CD LYS A 24 -10.077 1.982 8.536 1.00 0.00 C ATOM 304 CE LYS A 24 -11.316 1.104 8.465 1.00 0.00 C ATOM 305 NZ LYS A 24 -11.872 1.038 7.085 1.00 0.00 N ATOM 0 H LYS A 24 -6.631 4.376 10.839 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.884 2.201 11.982 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.345 3.646 9.821 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.420 2.402 9.005 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.991 0.676 9.847 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.913 1.915 10.675 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.371 3.031 8.495 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.446 1.794 7.667 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.068 0.098 8.805 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.075 1.492 9.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.716 0.430 7.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.132 1.994 6.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.157 0.644 6.441 1.00 0.00 H new ATOM 319 N ALA A 25 -5.281 1.317 10.139 1.00 0.00 N ATOM 320 CA ALA A 25 -4.340 0.233 9.889 1.00 0.00 C ATOM 321 C ALA A 25 -4.040 -0.539 11.170 1.00 0.00 C ATOM 322 O ALA A 25 -4.298 -1.739 11.257 1.00 0.00 O ATOM 323 CB ALA A 25 -3.054 0.779 9.286 1.00 0.00 C ATOM 0 H ALA A 25 -5.081 2.176 9.627 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.797 -0.456 9.179 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.360 -0.042 9.104 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.278 1.280 8.344 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.602 1.490 9.977 1.00 0.00 H new ATOM 329 N ALA A 26 -3.493 0.157 12.161 1.00 0.00 N ATOM 330 CA ALA A 26 -3.159 -0.463 13.437 1.00 0.00 C ATOM 331 C ALA A 26 -4.296 -1.352 13.930 1.00 0.00 C ATOM 332 O ALA A 26 -4.104 -2.542 14.173 1.00 0.00 O ATOM 333 CB ALA A 26 -2.833 0.603 14.473 1.00 0.00 C ATOM 0 H ALA A 26 -3.272 1.151 12.105 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.280 -1.091 13.289 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.585 0.125 15.421 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.983 1.194 14.132 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.697 1.254 14.609 1.00 0.00 H new ATOM 339 N GLN A 27 -5.479 -0.764 14.075 1.00 0.00 N ATOM 340 CA GLN A 27 -6.647 -1.504 14.541 1.00 0.00 C ATOM 341 C GLN A 27 -6.756 -2.850 13.833 1.00 0.00 C ATOM 342 O GLN A 27 -6.927 -3.886 14.475 1.00 0.00 O ATOM 343 CB GLN A 27 -7.920 -0.688 14.308 1.00 0.00 C ATOM 344 CG GLN A 27 -7.770 0.785 14.656 1.00 0.00 C ATOM 345 CD GLN A 27 -9.106 1.482 14.827 1.00 0.00 C ATOM 346 OE1 GLN A 27 -9.727 1.907 13.853 1.00 0.00 O ATOM 347 NE2 GLN A 27 -9.555 1.603 16.071 1.00 0.00 N ATOM 0 H GLN A 27 -5.654 0.221 13.877 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.529 -1.684 15.610 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.213 -0.778 13.262 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.728 -1.113 14.903 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.194 0.880 15.576 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.202 1.284 13.871 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.007 1.236 16.849 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.448 2.063 16.248 1.00 0.00 H new ATOM 356 N GLU A 28 -6.655 -2.827 12.508 1.00 0.00 N ATOM 357 CA GLU A 28 -6.744 -4.047 11.714 1.00 0.00 C ATOM 358 C GLU A 28 -5.632 -5.023 12.090 1.00 0.00 C ATOM 359 O GLU A 28 -5.871 -6.219 12.252 1.00 0.00 O ATOM 360 CB GLU A 28 -6.665 -3.718 10.222 1.00 0.00 C ATOM 361 CG GLU A 28 -7.846 -2.907 9.714 1.00 0.00 C ATOM 362 CD GLU A 28 -9.173 -3.416 10.243 1.00 0.00 C ATOM 363 OE1 GLU A 28 -9.436 -3.240 11.452 1.00 0.00 O ATOM 364 OE2 GLU A 28 -9.949 -3.989 9.450 1.00 0.00 O ATOM 0 H GLU A 28 -6.512 -1.978 11.962 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.704 -4.518 11.925 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.746 -3.165 10.029 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.603 -4.648 9.656 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.719 -1.864 10.006 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.859 -2.934 8.624 1.00 0.00 H new ATOM 371 N ASP A 29 -4.418 -4.502 12.227 1.00 0.00 N ATOM 372 CA ASP A 29 -3.269 -5.326 12.584 1.00 0.00 C ATOM 373 C ASP A 29 -3.489 -6.013 13.928 1.00 0.00 C ATOM 374 O ASP A 29 -3.175 -7.191 14.094 1.00 0.00 O ATOM 375 CB ASP A 29 -1.999 -4.474 12.634 1.00 0.00 C ATOM 376 CG ASP A 29 -0.744 -5.290 12.398 1.00 0.00 C ATOM 377 OD1 ASP A 29 -0.576 -6.327 13.073 1.00 0.00 O ATOM 378 OD2 ASP A 29 0.070 -4.892 11.539 1.00 0.00 O ATOM 0 H ASP A 29 -4.204 -3.513 12.096 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.152 -6.094 11.819 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.063 -3.687 11.883 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.932 -3.983 13.605 1.00 0.00 H new ATOM 383 N LYS A 30 -4.031 -5.267 14.885 1.00 0.00 N ATOM 384 CA LYS A 30 -4.294 -5.803 16.216 1.00 0.00 C ATOM 385 C LYS A 30 -5.455 -6.792 16.184 1.00 0.00 C ATOM 386 O LYS A 30 -5.455 -7.786 16.909 1.00 0.00 O ATOM 387 CB LYS A 30 -4.604 -4.667 17.193 1.00 0.00 C ATOM 388 CG LYS A 30 -4.197 -4.968 18.625 1.00 0.00 C ATOM 389 CD LYS A 30 -4.225 -3.718 19.488 1.00 0.00 C ATOM 390 CE LYS A 30 -5.648 -3.331 19.862 1.00 0.00 C ATOM 391 NZ LYS A 30 -5.694 -2.046 20.612 1.00 0.00 N ATOM 0 H LYS A 30 -4.297 -4.290 14.764 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.401 -6.329 16.552 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.092 -3.764 16.861 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.673 -4.456 17.165 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.869 -5.716 19.045 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.195 -5.397 18.637 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.643 -3.887 20.394 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.751 -2.895 18.953 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.251 -3.246 18.958 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.092 -4.121 20.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.681 -1.817 20.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.140 -2.135 21.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.294 -1.287 20.025 1.00 0.00 H new ATOM 405 N ALA A 31 -6.441 -6.512 15.339 1.00 0.00 N ATOM 406 CA ALA A 31 -7.606 -7.379 15.211 1.00 0.00 C ATOM 407 C ALA A 31 -7.243 -8.687 14.515 1.00 0.00 C ATOM 408 O ALA A 31 -7.940 -9.691 14.657 1.00 0.00 O ATOM 409 CB ALA A 31 -8.715 -6.665 14.452 1.00 0.00 C ATOM 0 H ALA A 31 -6.457 -5.692 14.733 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.962 -7.618 16.213 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.579 -7.324 14.364 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.001 -5.762 14.991 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.360 -6.397 13.457 1.00 0.00 H new ATOM 415 N GLY A 32 -6.149 -8.667 13.760 1.00 0.00 N ATOM 416 CA GLY A 32 -5.713 -9.856 13.053 1.00 0.00 C ATOM 417 C GLY A 32 -5.731 -9.675 11.548 1.00 0.00 C ATOM 418 O GLY A 32 -5.323 -10.566 10.804 1.00 0.00 O ATOM 0 H GLY A 32 -5.557 -7.848 13.626 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.704 -10.115 13.373 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.358 -10.692 13.323 1.00 0.00 H new ATOM 422 N ASN A 33 -6.208 -8.519 11.098 1.00 0.00 N ATOM 423 CA ASN A 33 -6.280 -8.225 9.672 1.00 0.00 C ATOM 424 C ASN A 33 -4.974 -7.612 9.176 1.00 0.00 C ATOM 425 O ASN A 33 -4.782 -6.397 9.240 1.00 0.00 O ATOM 426 CB ASN A 33 -7.444 -7.274 9.384 1.00 0.00 C ATOM 427 CG ASN A 33 -8.782 -7.988 9.364 1.00 0.00 C ATOM 428 OD1 ASN A 33 -8.864 -9.168 9.023 1.00 0.00 O ATOM 429 ND2 ASN A 33 -9.839 -7.273 9.730 1.00 0.00 N ATOM 0 H ASN A 33 -6.550 -7.771 11.701 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.445 -9.163 9.141 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.465 -6.490 10.141 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.281 -6.785 8.423 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.766 -7.699 9.736 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.724 -6.298 10.005 1.00 0.00 H new ATOM 436 N TYR A 34 -4.079 -8.460 8.682 1.00 0.00 N ATOM 437 CA TYR A 34 -2.790 -8.003 8.177 1.00 0.00 C ATOM 438 C TYR A 34 -2.928 -7.430 6.769 1.00 0.00 C ATOM 439 O TYR A 34 -2.516 -6.302 6.504 1.00 0.00 O ATOM 440 CB TYR A 34 -1.782 -9.154 8.174 1.00 0.00 C ATOM 441 CG TYR A 34 -1.148 -9.406 9.523 1.00 0.00 C ATOM 442 CD1 TYR A 34 -1.893 -9.310 10.692 1.00 0.00 C ATOM 443 CD2 TYR A 34 0.197 -9.739 9.630 1.00 0.00 C ATOM 444 CE1 TYR A 34 -1.318 -9.538 11.927 1.00 0.00 C ATOM 445 CE2 TYR A 34 0.780 -9.971 10.860 1.00 0.00 C ATOM 446 CZ TYR A 34 0.019 -9.869 12.006 1.00 0.00 C ATOM 447 OH TYR A 34 0.596 -10.098 13.234 1.00 0.00 O ATOM 0 H TYR A 34 -4.223 -9.468 8.621 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.429 -7.214 8.837 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.282 -10.063 7.841 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.998 -8.938 7.448 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -2.940 -9.053 10.634 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.797 -9.818 8.735 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.912 -9.458 12.826 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.826 -10.231 10.924 1.00 0.00 H new ATOM 0 HH TYR A 34 1.543 -10.321 13.114 1.00 0.00 H new ATOM 457 N GLU A 35 -3.513 -8.218 5.872 1.00 0.00 N ATOM 458 CA GLU A 35 -3.706 -7.790 4.491 1.00 0.00 C ATOM 459 C GLU A 35 -4.411 -6.438 4.434 1.00 0.00 C ATOM 460 O GLU A 35 -4.046 -5.570 3.643 1.00 0.00 O ATOM 461 CB GLU A 35 -4.517 -8.833 3.719 1.00 0.00 C ATOM 462 CG GLU A 35 -5.705 -9.376 4.495 1.00 0.00 C ATOM 463 CD GLU A 35 -6.661 -10.164 3.621 1.00 0.00 C ATOM 464 OE1 GLU A 35 -6.392 -11.358 3.374 1.00 0.00 O ATOM 465 OE2 GLU A 35 -7.678 -9.586 3.183 1.00 0.00 O ATOM 0 H GLU A 35 -3.861 -9.155 6.076 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.724 -7.688 4.029 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.873 -8.389 2.789 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.863 -9.661 3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.346 -10.015 5.302 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.241 -8.548 4.958 1.00 0.00 H new ATOM 472 N GLU A 36 -5.422 -6.268 5.280 1.00 0.00 N ATOM 473 CA GLU A 36 -6.179 -5.023 5.325 1.00 0.00 C ATOM 474 C GLU A 36 -5.355 -3.908 5.963 1.00 0.00 C ATOM 475 O GLU A 36 -5.395 -2.760 5.520 1.00 0.00 O ATOM 476 CB GLU A 36 -7.481 -5.219 6.104 1.00 0.00 C ATOM 477 CG GLU A 36 -8.527 -4.153 5.820 1.00 0.00 C ATOM 478 CD GLU A 36 -9.386 -4.485 4.616 1.00 0.00 C ATOM 479 OE1 GLU A 36 -10.375 -5.230 4.780 1.00 0.00 O ATOM 480 OE2 GLU A 36 -9.070 -4.000 3.510 1.00 0.00 O ATOM 0 H GLU A 36 -5.736 -6.977 5.943 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.417 -4.736 4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.896 -6.197 5.861 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.259 -5.223 7.171 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.165 -4.034 6.695 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.030 -3.197 5.655 1.00 0.00 H new ATOM 487 N ALA A 37 -4.608 -4.255 7.006 1.00 0.00 N ATOM 488 CA ALA A 37 -3.773 -3.285 7.704 1.00 0.00 C ATOM 489 C ALA A 37 -2.637 -2.797 6.812 1.00 0.00 C ATOM 490 O ALA A 37 -2.148 -1.677 6.969 1.00 0.00 O ATOM 491 CB ALA A 37 -3.219 -3.892 8.985 1.00 0.00 C ATOM 0 H ALA A 37 -4.564 -5.200 7.386 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.392 -2.426 7.961 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.597 -3.157 9.497 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.043 -4.185 9.635 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.619 -4.769 8.742 1.00 0.00 H new ATOM 497 N LEU A 38 -2.219 -3.643 5.877 1.00 0.00 N ATOM 498 CA LEU A 38 -1.138 -3.297 4.960 1.00 0.00 C ATOM 499 C LEU A 38 -1.541 -2.134 4.059 1.00 0.00 C ATOM 500 O LEU A 38 -0.900 -1.083 4.063 1.00 0.00 O ATOM 501 CB LEU A 38 -0.758 -4.509 4.109 1.00 0.00 C ATOM 502 CG LEU A 38 0.273 -4.259 3.007 1.00 0.00 C ATOM 503 CD1 LEU A 38 1.649 -4.018 3.609 1.00 0.00 C ATOM 504 CD2 LEU A 38 0.311 -5.431 2.037 1.00 0.00 C ATOM 0 H LEU A 38 -2.612 -4.573 5.734 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.275 -2.992 5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.373 -5.285 4.770 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.664 -4.903 3.649 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.021 -3.366 2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.370 -3.842 2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.612 -3.147 4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.952 -4.892 4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.050 -5.236 1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.581 -6.340 2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.671 -5.558 1.581 1.00 0.00 H new ATOM 516 N GLN A 39 -2.606 -2.330 3.289 1.00 0.00 N ATOM 517 CA GLN A 39 -3.094 -1.297 2.383 1.00 0.00 C ATOM 518 C GLN A 39 -3.248 0.035 3.110 1.00 0.00 C ATOM 519 O GLN A 39 -2.774 1.070 2.639 1.00 0.00 O ATOM 520 CB GLN A 39 -4.433 -1.715 1.772 1.00 0.00 C ATOM 521 CG GLN A 39 -4.297 -2.730 0.648 1.00 0.00 C ATOM 522 CD GLN A 39 -3.999 -2.083 -0.690 1.00 0.00 C ATOM 523 OE1 GLN A 39 -2.841 -1.831 -1.027 1.00 0.00 O ATOM 524 NE2 GLN A 39 -5.044 -1.809 -1.462 1.00 0.00 N ATOM 0 H GLN A 39 -3.147 -3.194 3.274 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.362 -1.173 1.585 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.065 -2.134 2.555 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.942 -0.829 1.391 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.501 -3.433 0.893 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.219 -3.307 0.571 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.986 -2.035 -1.144 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.904 -1.373 -2.373 1.00 0.00 H new ATOM 533 N LEU A 40 -3.914 0.003 4.259 1.00 0.00 N ATOM 534 CA LEU A 40 -4.131 1.209 5.051 1.00 0.00 C ATOM 535 C LEU A 40 -2.804 1.866 5.416 1.00 0.00 C ATOM 536 O LEU A 40 -2.706 3.092 5.489 1.00 0.00 O ATOM 537 CB LEU A 40 -4.914 0.873 6.322 1.00 0.00 C ATOM 538 CG LEU A 40 -6.385 0.508 6.127 1.00 0.00 C ATOM 539 CD1 LEU A 40 -6.939 -0.163 7.374 1.00 0.00 C ATOM 540 CD2 LEU A 40 -7.200 1.745 5.779 1.00 0.00 C ATOM 0 H LEU A 40 -4.313 -0.844 4.663 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.709 1.911 4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.417 0.041 6.822 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.859 1.728 6.995 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.457 -0.196 5.298 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.988 -0.415 7.216 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.374 -1.072 7.580 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.853 0.517 8.222 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.245 1.466 5.644 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.120 2.472 6.587 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.819 2.184 4.857 1.00 0.00 H new ATOM 552 N TYR A 41 -1.785 1.045 5.643 1.00 0.00 N ATOM 553 CA TYR A 41 -0.464 1.547 6.001 1.00 0.00 C ATOM 554 C TYR A 41 0.177 2.279 4.826 1.00 0.00 C ATOM 555 O TYR A 41 0.879 3.273 5.009 1.00 0.00 O ATOM 556 CB TYR A 41 0.437 0.396 6.452 1.00 0.00 C ATOM 557 CG TYR A 41 0.282 0.042 7.913 1.00 0.00 C ATOM 558 CD1 TYR A 41 0.316 1.025 8.894 1.00 0.00 C ATOM 559 CD2 TYR A 41 0.101 -1.277 8.314 1.00 0.00 C ATOM 560 CE1 TYR A 41 0.175 0.707 10.231 1.00 0.00 C ATOM 561 CE2 TYR A 41 -0.042 -1.604 9.648 1.00 0.00 C ATOM 562 CZ TYR A 41 -0.004 -0.609 10.603 1.00 0.00 C ATOM 563 OH TYR A 41 -0.145 -0.932 11.933 1.00 0.00 O ATOM 0 H TYR A 41 -1.848 0.029 5.585 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.582 2.252 6.824 1.00 0.00 H new ATOM 0 HB2 TYR A 41 0.217 -0.484 5.848 1.00 0.00 H new ATOM 0 HB3 TYR A 41 1.476 0.663 6.260 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.455 2.057 8.606 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.072 -2.059 7.570 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.205 1.484 10.980 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.183 -2.634 9.942 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.333 -0.120 12.449 1.00 0.00 H new ATOM 573 N GLN A 42 -0.070 1.779 3.620 1.00 0.00 N ATOM 574 CA GLN A 42 0.482 2.386 2.414 1.00 0.00 C ATOM 575 C GLN A 42 -0.255 3.675 2.066 1.00 0.00 C ATOM 576 O GLN A 42 0.366 4.693 1.760 1.00 0.00 O ATOM 577 CB GLN A 42 0.402 1.406 1.242 1.00 0.00 C ATOM 578 CG GLN A 42 1.075 0.071 1.518 1.00 0.00 C ATOM 579 CD GLN A 42 1.281 -0.750 0.260 1.00 0.00 C ATOM 580 OE1 GLN A 42 1.231 -0.225 -0.853 1.00 0.00 O ATOM 581 NE2 GLN A 42 1.515 -2.046 0.430 1.00 0.00 N ATOM 0 H GLN A 42 -0.648 0.956 3.452 1.00 0.00 H new ATOM 0 HA GLN A 42 1.527 2.628 2.606 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.645 1.231 0.996 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.863 1.862 0.366 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.039 0.246 1.995 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.469 -0.498 2.223 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.548 -2.439 1.371 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.662 -2.648 -0.380 1.00 0.00 H new ATOM 590 N HIS A 43 -1.582 3.623 2.114 1.00 0.00 N ATOM 591 CA HIS A 43 -2.404 4.787 1.804 1.00 0.00 C ATOM 592 C HIS A 43 -2.017 5.975 2.681 1.00 0.00 C ATOM 593 O HIS A 43 -1.606 7.021 2.180 1.00 0.00 O ATOM 594 CB HIS A 43 -3.885 4.458 1.995 1.00 0.00 C ATOM 595 CG HIS A 43 -4.505 3.779 0.813 1.00 0.00 C ATOM 596 ND1 HIS A 43 -4.937 4.460 -0.305 1.00 0.00 N ATOM 597 CD2 HIS A 43 -4.763 2.471 0.578 1.00 0.00 C ATOM 598 CE1 HIS A 43 -5.436 3.601 -1.176 1.00 0.00 C ATOM 599 NE2 HIS A 43 -5.341 2.387 -0.664 1.00 0.00 N ATOM 0 H HIS A 43 -2.111 2.788 2.364 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.231 5.056 0.762 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.997 3.819 2.871 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.430 5.379 2.201 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.553 1.647 1.244 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.851 3.849 -2.142 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -5.648 1.527 -1.118 1.00 0.00 H new ATOM 608 N ALA A 44 -2.153 5.805 3.992 1.00 0.00 N ATOM 609 CA ALA A 44 -1.817 6.861 4.938 1.00 0.00 C ATOM 610 C ALA A 44 -0.593 7.644 4.475 1.00 0.00 C ATOM 611 O ALA A 44 -0.590 8.875 4.485 1.00 0.00 O ATOM 612 CB ALA A 44 -1.579 6.275 6.322 1.00 0.00 C ATOM 0 H ALA A 44 -2.494 4.946 4.423 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.659 7.551 4.988 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.329 7.076 7.018 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.481 5.767 6.662 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.756 5.562 6.279 1.00 0.00 H new ATOM 618 N VAL A 45 0.447 6.921 4.071 1.00 0.00 N ATOM 619 CA VAL A 45 1.678 7.548 3.604 1.00 0.00 C ATOM 620 C VAL A 45 1.437 8.353 2.331 1.00 0.00 C ATOM 621 O VAL A 45 1.855 9.505 2.226 1.00 0.00 O ATOM 622 CB VAL A 45 2.775 6.500 3.335 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.057 7.175 2.872 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.024 5.660 4.578 1.00 0.00 C ATOM 0 H VAL A 45 0.462 5.901 4.058 1.00 0.00 H new ATOM 0 HA VAL A 45 2.012 8.218 4.396 1.00 0.00 H new ATOM 0 HB VAL A 45 2.434 5.838 2.539 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.820 6.419 2.687 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.865 7.729 1.953 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.406 7.861 3.644 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.802 4.925 4.371 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.344 6.306 5.396 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.105 5.146 4.860 1.00 0.00 H new ATOM 634 N GLN A 46 0.759 7.737 1.368 1.00 0.00 N ATOM 635 CA GLN A 46 0.461 8.397 0.102 1.00 0.00 C ATOM 636 C GLN A 46 -0.131 9.782 0.336 1.00 0.00 C ATOM 637 O GLN A 46 0.320 10.768 -0.248 1.00 0.00 O ATOM 638 CB GLN A 46 -0.506 7.548 -0.724 1.00 0.00 C ATOM 639 CG GLN A 46 0.094 6.239 -1.210 1.00 0.00 C ATOM 640 CD GLN A 46 1.003 6.423 -2.409 1.00 0.00 C ATOM 641 OE1 GLN A 46 2.218 6.245 -2.315 1.00 0.00 O ATOM 642 NE2 GLN A 46 0.419 6.782 -3.546 1.00 0.00 N ATOM 0 H GLN A 46 0.406 6.783 1.440 1.00 0.00 H new ATOM 0 HA GLN A 46 1.395 8.510 -0.449 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.390 7.332 -0.124 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.839 8.127 -1.585 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.658 5.779 -0.399 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.709 5.550 -1.470 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.591 6.919 -3.579 1.00 0.00 H new ATOM 0 HE22 GLN A 46 0.981 6.921 -4.386 1.00 0.00 H new ATOM 651 N TYR A 47 -1.144 9.850 1.193 1.00 0.00 N ATOM 652 CA TYR A 47 -1.800 11.115 1.503 1.00 0.00 C ATOM 653 C TYR A 47 -0.848 12.059 2.230 1.00 0.00 C ATOM 654 O TYR A 47 -0.729 13.233 1.877 1.00 0.00 O ATOM 655 CB TYR A 47 -3.046 10.872 2.356 1.00 0.00 C ATOM 656 CG TYR A 47 -4.163 10.176 1.612 1.00 0.00 C ATOM 657 CD1 TYR A 47 -5.056 10.897 0.828 1.00 0.00 C ATOM 658 CD2 TYR A 47 -4.327 8.799 1.694 1.00 0.00 C ATOM 659 CE1 TYR A 47 -6.079 10.266 0.147 1.00 0.00 C ATOM 660 CE2 TYR A 47 -5.346 8.160 1.015 1.00 0.00 C ATOM 661 CZ TYR A 47 -6.220 8.897 0.244 1.00 0.00 C ATOM 662 OH TYR A 47 -7.237 8.264 -0.433 1.00 0.00 O ATOM 0 H TYR A 47 -1.529 9.044 1.685 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.097 11.581 0.563 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.771 10.273 3.224 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.411 11.828 2.731 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.948 11.969 0.750 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.646 8.218 2.299 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.764 10.841 -0.458 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.458 7.088 1.088 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.195 7.300 -0.259 1.00 0.00 H new ATOM 672 N PHE A 48 -0.170 11.538 3.247 1.00 0.00 N ATOM 673 CA PHE A 48 0.772 12.333 4.026 1.00 0.00 C ATOM 674 C PHE A 48 1.760 13.054 3.113 1.00 0.00 C ATOM 675 O PHE A 48 2.024 14.245 3.282 1.00 0.00 O ATOM 676 CB PHE A 48 1.530 11.443 5.013 1.00 0.00 C ATOM 677 CG PHE A 48 0.827 11.275 6.330 1.00 0.00 C ATOM 678 CD1 PHE A 48 0.322 12.374 7.006 1.00 0.00 C ATOM 679 CD2 PHE A 48 0.671 10.018 6.892 1.00 0.00 C ATOM 680 CE1 PHE A 48 -0.326 12.223 8.217 1.00 0.00 C ATOM 681 CE2 PHE A 48 0.024 9.861 8.102 1.00 0.00 C ATOM 682 CZ PHE A 48 -0.474 10.965 8.767 1.00 0.00 C ATOM 0 H PHE A 48 -0.255 10.568 3.551 1.00 0.00 H new ATOM 0 HA PHE A 48 0.205 13.080 4.582 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.681 10.462 4.563 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.518 11.869 5.189 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.436 13.360 6.581 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.060 9.151 6.378 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.716 13.088 8.733 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.093 8.876 8.528 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.978 10.844 9.715 1.00 0.00 H new ATOM 692 N LEU A 49 2.303 12.324 2.145 1.00 0.00 N ATOM 693 CA LEU A 49 3.262 12.892 1.204 1.00 0.00 C ATOM 694 C LEU A 49 2.622 14.002 0.377 1.00 0.00 C ATOM 695 O LEU A 49 3.036 15.160 0.447 1.00 0.00 O ATOM 696 CB LEU A 49 3.807 11.801 0.280 1.00 0.00 C ATOM 697 CG LEU A 49 4.747 10.782 0.925 1.00 0.00 C ATOM 698 CD1 LEU A 49 4.934 9.578 0.015 1.00 0.00 C ATOM 699 CD2 LEU A 49 6.089 11.424 1.246 1.00 0.00 C ATOM 0 H LEU A 49 2.095 11.337 1.991 1.00 0.00 H new ATOM 0 HA LEU A 49 4.085 13.320 1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.963 11.264 -0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.335 12.281 -0.544 1.00 0.00 H new ATOM 0 HG LEU A 49 4.298 10.440 1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.606 8.863 0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.969 9.104 -0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.361 9.902 -0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.746 10.685 1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.544 11.794 0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.939 12.254 1.936 1.00 0.00 H new ATOM 711 N HIS A 50 1.608 13.642 -0.404 1.00 0.00 N ATOM 712 CA HIS A 50 0.908 14.609 -1.242 1.00 0.00 C ATOM 713 C HIS A 50 0.786 15.955 -0.533 1.00 0.00 C ATOM 714 O HIS A 50 0.868 17.009 -1.163 1.00 0.00 O ATOM 715 CB HIS A 50 -0.480 14.086 -1.610 1.00 0.00 C ATOM 716 CG HIS A 50 -1.049 14.715 -2.844 1.00 0.00 C ATOM 717 ND1 HIS A 50 -0.351 14.814 -4.029 1.00 0.00 N ATOM 718 CD2 HIS A 50 -2.259 15.278 -3.074 1.00 0.00 C ATOM 719 CE1 HIS A 50 -1.106 15.412 -4.934 1.00 0.00 C ATOM 720 NE2 HIS A 50 -2.269 15.704 -4.379 1.00 0.00 N ATOM 0 H HIS A 50 1.253 12.688 -0.474 1.00 0.00 H new ATOM 0 HA HIS A 50 1.488 14.750 -2.154 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.426 13.007 -1.754 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.159 14.263 -0.776 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -3.066 15.374 -2.363 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -0.821 15.626 -5.954 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -3.048 16.170 -4.845 1.00 0.00 H new ATOM 729 N VAL A 51 0.589 15.911 0.781 1.00 0.00 N ATOM 730 CA VAL A 51 0.456 17.126 1.575 1.00 0.00 C ATOM 731 C VAL A 51 1.775 17.888 1.640 1.00 0.00 C ATOM 732 O VAL A 51 1.829 19.082 1.347 1.00 0.00 O ATOM 733 CB VAL A 51 -0.014 16.811 3.008 1.00 0.00 C ATOM 734 CG1 VAL A 51 0.015 18.066 3.867 1.00 0.00 C ATOM 735 CG2 VAL A 51 -1.406 16.199 2.990 1.00 0.00 C ATOM 0 H VAL A 51 0.518 15.047 1.318 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.294 17.745 1.082 1.00 0.00 H new ATOM 0 HB VAL A 51 0.671 16.084 3.445 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.320 17.824 4.876 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.032 18.457 3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.646 18.818 3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.722 15.983 4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.106 16.900 2.534 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.390 15.275 2.412 1.00 0.00 H new ATOM 745 N VAL A 52 2.837 17.188 2.025 1.00 0.00 N ATOM 746 CA VAL A 52 4.158 17.798 2.127 1.00 0.00 C ATOM 747 C VAL A 52 4.666 18.240 0.760 1.00 0.00 C ATOM 748 O VAL A 52 5.714 18.877 0.650 1.00 0.00 O ATOM 749 CB VAL A 52 5.177 16.827 2.753 1.00 0.00 C ATOM 750 CG1 VAL A 52 6.591 17.368 2.602 1.00 0.00 C ATOM 751 CG2 VAL A 52 4.846 16.578 4.216 1.00 0.00 C ATOM 0 H VAL A 52 2.809 16.199 2.271 1.00 0.00 H new ATOM 0 HA VAL A 52 4.055 18.671 2.772 1.00 0.00 H new ATOM 0 HB VAL A 52 5.119 15.875 2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.298 16.669 3.050 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.823 17.490 1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.667 18.333 3.104 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.576 15.890 4.642 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.875 17.521 4.761 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.849 16.144 4.295 1.00 0.00 H new ATOM 761 N LYS A 53 3.917 17.898 -0.283 1.00 0.00 N ATOM 762 CA LYS A 53 4.289 18.260 -1.645 1.00 0.00 C ATOM 763 C LYS A 53 3.589 19.545 -2.077 1.00 0.00 C ATOM 764 O LYS A 53 4.238 20.554 -2.352 1.00 0.00 O ATOM 765 CB LYS A 53 3.937 17.126 -2.611 1.00 0.00 C ATOM 766 CG LYS A 53 4.402 17.374 -4.035 1.00 0.00 C ATOM 767 CD LYS A 53 5.840 16.927 -4.239 1.00 0.00 C ATOM 768 CE LYS A 53 6.471 17.612 -5.441 1.00 0.00 C ATOM 769 NZ LYS A 53 6.654 19.073 -5.214 1.00 0.00 N ATOM 0 H LYS A 53 3.047 17.370 -0.210 1.00 0.00 H new ATOM 0 HA LYS A 53 5.366 18.428 -1.668 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.383 16.200 -2.248 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.857 16.982 -2.610 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.752 16.840 -4.729 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.314 18.435 -4.268 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.422 17.150 -3.345 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.870 15.846 -4.377 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.437 17.154 -5.655 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.843 17.457 -6.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.392 19.434 -5.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.760 19.569 -5.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.938 19.238 -4.227 1.00 0.00 H new ATOM 783 N TYR A 54 2.262 19.500 -2.133 1.00 0.00 N ATOM 784 CA TYR A 54 1.475 20.660 -2.532 1.00 0.00 C ATOM 785 C TYR A 54 0.930 21.395 -1.311 1.00 0.00 C ATOM 786 O TYR A 54 1.151 22.595 -1.146 1.00 0.00 O ATOM 787 CB TYR A 54 0.320 20.232 -3.439 1.00 0.00 C ATOM 788 CG TYR A 54 0.773 19.600 -4.737 1.00 0.00 C ATOM 789 CD1 TYR A 54 1.305 18.317 -4.759 1.00 0.00 C ATOM 790 CD2 TYR A 54 0.668 20.287 -5.940 1.00 0.00 C ATOM 791 CE1 TYR A 54 1.720 17.736 -5.941 1.00 0.00 C ATOM 792 CE2 TYR A 54 1.080 19.713 -7.128 1.00 0.00 C ATOM 793 CZ TYR A 54 1.605 18.438 -7.123 1.00 0.00 C ATOM 794 OH TYR A 54 2.017 17.863 -8.304 1.00 0.00 O ATOM 0 H TYR A 54 1.710 18.673 -1.907 1.00 0.00 H new ATOM 0 HA TYR A 54 2.128 21.338 -3.081 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.311 19.525 -2.901 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.297 21.102 -3.664 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.396 17.764 -3.836 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.258 21.286 -5.947 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.132 16.738 -5.940 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.991 20.260 -8.055 1.00 0.00 H new ATOM 0 HH TYR A 54 1.867 18.489 -9.043 1.00 0.00 H new ATOM 804 N GLU A 55 0.219 20.666 -0.458 1.00 0.00 N ATOM 805 CA GLU A 55 -0.358 21.248 0.749 1.00 0.00 C ATOM 806 C GLU A 55 0.670 21.292 1.876 1.00 0.00 C ATOM 807 O GLU A 55 0.334 21.098 3.044 1.00 0.00 O ATOM 808 CB GLU A 55 -1.584 20.448 1.193 1.00 0.00 C ATOM 809 CG GLU A 55 -2.441 19.957 0.038 1.00 0.00 C ATOM 810 CD GLU A 55 -3.701 19.254 0.504 1.00 0.00 C ATOM 811 OE1 GLU A 55 -4.500 19.884 1.228 1.00 0.00 O ATOM 812 OE2 GLU A 55 -3.888 18.072 0.145 1.00 0.00 O ATOM 0 H GLU A 55 0.028 19.671 -0.580 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.664 22.269 0.519 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.255 19.591 1.780 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.194 21.069 1.849 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.714 20.803 -0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.856 19.275 -0.579 1.00 0.00 H new ATOM 819 N ALA A 56 1.923 21.549 1.517 1.00 0.00 N ATOM 820 CA ALA A 56 3.000 21.620 2.497 1.00 0.00 C ATOM 821 C ALA A 56 2.677 22.627 3.595 1.00 0.00 C ATOM 822 O ALA A 56 1.936 23.584 3.372 1.00 0.00 O ATOM 823 CB ALA A 56 4.311 21.982 1.815 1.00 0.00 C ATOM 0 H ALA A 56 2.218 21.712 0.554 1.00 0.00 H new ATOM 0 HA ALA A 56 3.103 20.638 2.959 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.106 22.032 2.559 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.556 21.223 1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.211 22.951 1.326 1.00 0.00 H new ATOM 829 N GLN A 57 3.237 22.404 4.779 1.00 0.00 N ATOM 830 CA GLN A 57 3.006 23.293 5.912 1.00 0.00 C ATOM 831 C GLN A 57 4.271 24.072 6.259 1.00 0.00 C ATOM 832 O GLN A 57 4.314 25.295 6.132 1.00 0.00 O ATOM 833 CB GLN A 57 2.536 22.492 7.128 1.00 0.00 C ATOM 834 CG GLN A 57 1.644 21.314 6.773 1.00 0.00 C ATOM 835 CD GLN A 57 0.213 21.729 6.495 1.00 0.00 C ATOM 836 OE1 GLN A 57 -0.049 22.860 6.083 1.00 0.00 O ATOM 837 NE2 GLN A 57 -0.723 20.814 6.718 1.00 0.00 N ATOM 0 H GLN A 57 3.853 21.616 4.979 1.00 0.00 H new ATOM 0 HA GLN A 57 2.229 24.004 5.632 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.408 22.126 7.671 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.996 23.156 7.803 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.048 20.808 5.896 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.657 20.594 7.591 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.461 19.889 7.059 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.704 21.036 6.548 1.00 0.00 H new ATOM 846 N GLY A 58 5.300 23.354 6.700 1.00 0.00 N ATOM 847 CA GLY A 58 6.551 23.995 7.059 1.00 0.00 C ATOM 848 C GLY A 58 7.658 22.995 7.330 1.00 0.00 C ATOM 849 O GLY A 58 7.410 21.915 7.865 1.00 0.00 O ATOM 0 H GLY A 58 5.289 22.341 6.815 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.858 24.663 6.254 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.398 24.612 7.944 1.00 0.00 H new ATOM 853 N ASP A 59 8.882 23.355 6.959 1.00 0.00 N ATOM 854 CA ASP A 59 10.031 22.481 7.164 1.00 0.00 C ATOM 855 C ASP A 59 9.915 21.733 8.488 1.00 0.00 C ATOM 856 O ASP A 59 10.430 20.624 8.635 1.00 0.00 O ATOM 857 CB ASP A 59 11.327 23.292 7.134 1.00 0.00 C ATOM 858 CG ASP A 59 11.357 24.376 8.194 1.00 0.00 C ATOM 859 OD1 ASP A 59 10.324 25.054 8.379 1.00 0.00 O ATOM 860 OD2 ASP A 59 12.412 24.545 8.839 1.00 0.00 O ATOM 0 H ASP A 59 9.104 24.246 6.515 1.00 0.00 H new ATOM 0 HA ASP A 59 10.050 21.751 6.355 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.175 22.622 7.279 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.445 23.747 6.150 1.00 0.00 H new ATOM 865 N LYS A 60 9.236 22.347 9.451 1.00 0.00 N ATOM 866 CA LYS A 60 9.051 21.740 10.764 1.00 0.00 C ATOM 867 C LYS A 60 7.996 20.640 10.711 1.00 0.00 C ATOM 868 O LYS A 60 8.217 19.531 11.197 1.00 0.00 O ATOM 869 CB LYS A 60 8.644 22.803 11.787 1.00 0.00 C ATOM 870 CG LYS A 60 9.708 23.861 12.022 1.00 0.00 C ATOM 871 CD LYS A 60 10.665 23.453 13.130 1.00 0.00 C ATOM 872 CE LYS A 60 11.370 24.659 13.729 1.00 0.00 C ATOM 873 NZ LYS A 60 12.652 24.283 14.387 1.00 0.00 N ATOM 0 H LYS A 60 8.804 23.265 9.347 1.00 0.00 H new ATOM 0 HA LYS A 60 9.999 21.296 11.068 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.729 23.289 11.449 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.414 22.315 12.734 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.266 24.028 11.101 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.231 24.806 12.281 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.116 22.926 13.911 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.405 22.757 12.735 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.565 25.391 12.946 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.715 25.138 14.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.102 25.133 14.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.464 23.603 15.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.287 23.849 13.687 1.00 0.00 H new ATOM 887 N ALA A 61 6.849 20.953 10.117 1.00 0.00 N ATOM 888 CA ALA A 61 5.762 19.990 9.998 1.00 0.00 C ATOM 889 C ALA A 61 6.149 18.837 9.079 1.00 0.00 C ATOM 890 O ALA A 61 5.769 17.689 9.311 1.00 0.00 O ATOM 891 CB ALA A 61 4.503 20.675 9.488 1.00 0.00 C ATOM 0 H ALA A 61 6.649 21.867 9.711 1.00 0.00 H new ATOM 0 HA ALA A 61 5.563 19.580 10.988 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.699 19.943 9.404 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.208 21.460 10.185 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.698 21.113 8.509 1.00 0.00 H new ATOM 897 N LYS A 62 6.906 19.149 8.032 1.00 0.00 N ATOM 898 CA LYS A 62 7.345 18.139 7.077 1.00 0.00 C ATOM 899 C LYS A 62 8.041 16.983 7.788 1.00 0.00 C ATOM 900 O LYS A 62 7.542 15.858 7.797 1.00 0.00 O ATOM 901 CB LYS A 62 8.289 18.760 6.045 1.00 0.00 C ATOM 902 CG LYS A 62 7.570 19.413 4.877 1.00 0.00 C ATOM 903 CD LYS A 62 7.250 20.871 5.165 1.00 0.00 C ATOM 904 CE LYS A 62 6.913 21.629 3.890 1.00 0.00 C ATOM 905 NZ LYS A 62 7.283 23.069 3.987 1.00 0.00 N ATOM 0 H LYS A 62 7.228 20.094 7.824 1.00 0.00 H new ATOM 0 HA LYS A 62 6.464 17.750 6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.914 19.505 6.538 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.956 17.987 5.664 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.190 19.345 3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.648 18.871 4.667 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.411 20.931 5.858 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.102 21.342 5.655 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.437 21.175 3.048 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.846 21.541 3.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.478 23.442 3.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.498 23.601 4.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.132 23.170 4.579 1.00 0.00 H new ATOM 919 N GLN A 63 9.195 17.269 8.383 1.00 0.00 N ATOM 920 CA GLN A 63 9.958 16.253 9.097 1.00 0.00 C ATOM 921 C GLN A 63 9.048 15.416 9.990 1.00 0.00 C ATOM 922 O GLN A 63 9.188 14.196 10.066 1.00 0.00 O ATOM 923 CB GLN A 63 11.056 16.906 9.938 1.00 0.00 C ATOM 924 CG GLN A 63 10.562 18.062 10.793 1.00 0.00 C ATOM 925 CD GLN A 63 11.694 18.833 11.443 1.00 0.00 C ATOM 926 OE1 GLN A 63 12.851 18.720 11.037 1.00 0.00 O ATOM 927 NE2 GLN A 63 11.365 19.623 12.458 1.00 0.00 N ATOM 0 H GLN A 63 9.621 18.196 8.384 1.00 0.00 H new ATOM 0 HA GLN A 63 10.418 15.595 8.359 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.503 16.152 10.585 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.844 17.266 9.276 1.00 0.00 H new ATOM 0 HG2 GLN A 63 9.973 18.740 10.175 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.897 17.678 11.567 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.393 19.686 12.761 1.00 0.00 H new ATOM 0 HE22 GLN A 63 12.084 20.167 12.935 1.00 0.00 H new ATOM 936 N SER A 64 8.115 16.081 10.665 1.00 0.00 N ATOM 937 CA SER A 64 7.185 15.399 11.557 1.00 0.00 C ATOM 938 C SER A 64 6.410 14.318 10.810 1.00 0.00 C ATOM 939 O SER A 64 6.432 13.147 11.192 1.00 0.00 O ATOM 940 CB SER A 64 6.211 16.403 12.177 1.00 0.00 C ATOM 941 OG SER A 64 5.793 15.980 13.464 1.00 0.00 O ATOM 0 H SER A 64 7.984 17.091 10.611 1.00 0.00 H new ATOM 0 HA SER A 64 7.763 14.925 12.351 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.688 17.380 12.249 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.342 16.519 11.529 1.00 0.00 H new ATOM 0 HG SER A 64 5.173 16.639 13.840 1.00 0.00 H new ATOM 947 N ILE A 65 5.727 14.718 9.743 1.00 0.00 N ATOM 948 CA ILE A 65 4.947 13.784 8.941 1.00 0.00 C ATOM 949 C ILE A 65 5.826 12.667 8.387 1.00 0.00 C ATOM 950 O ILE A 65 5.483 11.489 8.483 1.00 0.00 O ATOM 951 CB ILE A 65 4.244 14.497 7.770 1.00 0.00 C ATOM 952 CG1 ILE A 65 3.377 15.646 8.291 1.00 0.00 C ATOM 953 CG2 ILE A 65 3.403 13.509 6.976 1.00 0.00 C ATOM 954 CD1 ILE A 65 2.910 16.589 7.205 1.00 0.00 C ATOM 0 H ILE A 65 5.698 15.683 9.414 1.00 0.00 H new ATOM 0 HA ILE A 65 4.192 13.356 9.601 1.00 0.00 H new ATOM 0 HB ILE A 65 5.004 14.911 7.107 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.507 15.232 8.801 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.943 16.210 9.033 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.913 14.028 6.152 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.044 12.722 6.579 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.648 13.068 7.627 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.301 17.378 7.646 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.775 17.031 6.710 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.317 16.038 6.475 1.00 0.00 H new ATOM 966 N ARG A 66 6.961 13.046 7.809 1.00 0.00 N ATOM 967 CA ARG A 66 7.889 12.077 7.241 1.00 0.00 C ATOM 968 C ARG A 66 8.185 10.959 8.236 1.00 0.00 C ATOM 969 O ARG A 66 8.102 9.778 7.900 1.00 0.00 O ATOM 970 CB ARG A 66 9.192 12.766 6.831 1.00 0.00 C ATOM 971 CG ARG A 66 9.101 13.500 5.503 1.00 0.00 C ATOM 972 CD ARG A 66 10.244 14.488 5.332 1.00 0.00 C ATOM 973 NE ARG A 66 11.536 13.815 5.217 1.00 0.00 N ATOM 974 CZ ARG A 66 12.663 14.440 4.894 1.00 0.00 C ATOM 975 NH1 ARG A 66 12.658 15.744 4.657 1.00 0.00 N ATOM 976 NH2 ARG A 66 13.799 13.759 4.809 1.00 0.00 N ATOM 0 H ARG A 66 7.260 14.017 7.722 1.00 0.00 H new ATOM 0 HA ARG A 66 7.423 11.640 6.358 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.479 13.474 7.609 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.984 12.020 6.771 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.117 12.779 4.686 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.150 14.029 5.443 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.070 15.093 4.442 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.265 15.170 6.182 1.00 0.00 H new ATOM 0 HE ARG A 66 11.575 12.811 5.394 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.787 16.271 4.722 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.525 16.221 4.409 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.807 12.756 4.992 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.664 14.239 4.561 1.00 0.00 H new ATOM 990 N ALA A 67 8.530 11.340 9.461 1.00 0.00 N ATOM 991 CA ALA A 67 8.836 10.370 10.506 1.00 0.00 C ATOM 992 C ALA A 67 7.778 9.274 10.564 1.00 0.00 C ATOM 993 O ALA A 67 8.095 8.100 10.755 1.00 0.00 O ATOM 994 CB ALA A 67 8.954 11.066 11.854 1.00 0.00 C ATOM 0 H ALA A 67 8.605 12.314 9.755 1.00 0.00 H new ATOM 0 HA ALA A 67 9.791 9.903 10.266 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.183 10.330 12.625 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.752 11.807 11.812 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.012 11.560 12.092 1.00 0.00 H new ATOM 1000 N LYS A 68 6.519 9.665 10.400 1.00 0.00 N ATOM 1001 CA LYS A 68 5.412 8.716 10.433 1.00 0.00 C ATOM 1002 C LYS A 68 5.413 7.835 9.188 1.00 0.00 C ATOM 1003 O LYS A 68 5.206 6.623 9.274 1.00 0.00 O ATOM 1004 CB LYS A 68 4.079 9.459 10.544 1.00 0.00 C ATOM 1005 CG LYS A 68 3.636 9.704 11.976 1.00 0.00 C ATOM 1006 CD LYS A 68 4.508 10.744 12.659 1.00 0.00 C ATOM 1007 CE LYS A 68 5.699 10.103 13.354 1.00 0.00 C ATOM 1008 NZ LYS A 68 6.171 10.916 14.509 1.00 0.00 N ATOM 0 H LYS A 68 6.239 10.633 10.243 1.00 0.00 H new ATOM 0 HA LYS A 68 5.539 8.078 11.308 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.162 10.416 10.030 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.309 8.886 10.028 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.598 10.036 11.985 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.677 8.769 12.535 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.861 11.466 11.922 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.914 11.296 13.387 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.425 9.106 13.700 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.513 9.980 12.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.984 10.445 14.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.457 11.859 14.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.402 11.012 15.203 1.00 0.00 H new ATOM 1022 N CYS A 69 5.649 8.449 8.035 1.00 0.00 N ATOM 1023 CA CYS A 69 5.678 7.719 6.772 1.00 0.00 C ATOM 1024 C CYS A 69 6.631 6.531 6.852 1.00 0.00 C ATOM 1025 O CYS A 69 6.326 5.442 6.365 1.00 0.00 O ATOM 1026 CB CYS A 69 6.097 8.648 5.632 1.00 0.00 C ATOM 1027 SG CYS A 69 4.861 9.897 5.205 1.00 0.00 S ATOM 0 H CYS A 69 5.823 9.450 7.948 1.00 0.00 H new ATOM 0 HA CYS A 69 4.674 7.343 6.575 1.00 0.00 H new ATOM 0 HB2 CYS A 69 7.024 9.150 5.909 1.00 0.00 H new ATOM 0 HB3 CYS A 69 6.311 8.047 4.748 1.00 0.00 H new ATOM 0 HG CYS A 69 5.308 10.635 4.233 1.00 0.00 H new ATOM 1033 N THR A 70 7.789 6.748 7.469 1.00 0.00 N ATOM 1034 CA THR A 70 8.788 5.696 7.611 1.00 0.00 C ATOM 1035 C THR A 70 8.322 4.623 8.588 1.00 0.00 C ATOM 1036 O THR A 70 8.510 3.431 8.350 1.00 0.00 O ATOM 1037 CB THR A 70 10.136 6.264 8.094 1.00 0.00 C ATOM 1038 OG1 THR A 70 10.652 7.188 7.130 1.00 0.00 O ATOM 1039 CG2 THR A 70 11.143 5.147 8.322 1.00 0.00 C ATOM 0 H THR A 70 8.058 7.643 7.878 1.00 0.00 H new ATOM 0 HA THR A 70 8.921 5.251 6.625 1.00 0.00 H new ATOM 0 HB THR A 70 9.970 6.781 9.039 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.508 7.546 7.445 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.087 5.572 8.663 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.760 4.461 9.078 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.304 4.606 7.389 1.00 0.00 H new ATOM 1047 N GLU A 71 7.712 5.055 9.687 1.00 0.00 N ATOM 1048 CA GLU A 71 7.219 4.129 10.700 1.00 0.00 C ATOM 1049 C GLU A 71 6.142 3.215 10.124 1.00 0.00 C ATOM 1050 O GLU A 71 6.231 1.991 10.224 1.00 0.00 O ATOM 1051 CB GLU A 71 6.662 4.899 11.899 1.00 0.00 C ATOM 1052 CG GLU A 71 6.151 4.003 13.014 1.00 0.00 C ATOM 1053 CD GLU A 71 7.093 2.854 13.318 1.00 0.00 C ATOM 1054 OE1 GLU A 71 8.011 3.044 14.144 1.00 0.00 O ATOM 1055 OE2 GLU A 71 6.914 1.767 12.731 1.00 0.00 O ATOM 0 H GLU A 71 7.547 6.039 9.899 1.00 0.00 H new ATOM 0 HA GLU A 71 8.056 3.513 11.030 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.441 5.550 12.296 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.850 5.543 11.561 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.007 4.598 13.916 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.175 3.604 12.736 1.00 0.00 H new ATOM 1062 N TYR A 72 5.124 3.818 9.520 1.00 0.00 N ATOM 1063 CA TYR A 72 4.027 3.060 8.930 1.00 0.00 C ATOM 1064 C TYR A 72 4.517 2.216 7.758 1.00 0.00 C ATOM 1065 O TYR A 72 4.011 1.120 7.511 1.00 0.00 O ATOM 1066 CB TYR A 72 2.918 4.005 8.464 1.00 0.00 C ATOM 1067 CG TYR A 72 2.383 4.898 9.561 1.00 0.00 C ATOM 1068 CD1 TYR A 72 2.141 4.398 10.835 1.00 0.00 C ATOM 1069 CD2 TYR A 72 2.118 6.241 9.324 1.00 0.00 C ATOM 1070 CE1 TYR A 72 1.652 5.209 11.840 1.00 0.00 C ATOM 1071 CE2 TYR A 72 1.630 7.060 10.323 1.00 0.00 C ATOM 1072 CZ TYR A 72 1.398 6.540 11.579 1.00 0.00 C ATOM 1073 OH TYR A 72 0.911 7.352 12.577 1.00 0.00 O ATOM 0 H TYR A 72 5.036 4.830 9.426 1.00 0.00 H new ATOM 0 HA TYR A 72 3.629 2.392 9.694 1.00 0.00 H new ATOM 0 HB2 TYR A 72 3.299 4.627 7.654 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.098 3.415 8.055 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.339 3.357 11.043 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.297 6.652 8.341 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.469 4.804 12.824 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.431 8.102 10.122 1.00 0.00 H new ATOM 0 HH TYR A 72 0.788 8.260 12.229 1.00 0.00 H new ATOM 1083 N LEU A 73 5.506 2.734 7.037 1.00 0.00 N ATOM 1084 CA LEU A 73 6.067 2.029 5.890 1.00 0.00 C ATOM 1085 C LEU A 73 6.755 0.739 6.326 1.00 0.00 C ATOM 1086 O LEU A 73 6.541 -0.320 5.737 1.00 0.00 O ATOM 1087 CB LEU A 73 7.061 2.926 5.151 1.00 0.00 C ATOM 1088 CG LEU A 73 6.465 3.876 4.112 1.00 0.00 C ATOM 1089 CD1 LEU A 73 7.492 4.913 3.684 1.00 0.00 C ATOM 1090 CD2 LEU A 73 5.958 3.097 2.907 1.00 0.00 C ATOM 0 H LEU A 73 5.936 3.639 7.227 1.00 0.00 H new ATOM 0 HA LEU A 73 5.249 1.773 5.217 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.602 3.519 5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.794 2.290 4.654 1.00 0.00 H new ATOM 0 HG LEU A 73 5.621 4.396 4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.049 5.580 2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.808 5.492 4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.356 4.411 3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.537 3.789 2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.784 2.550 2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.189 2.394 3.226 1.00 0.00 H new ATOM 1102 N ASP A 74 7.581 0.837 7.362 1.00 0.00 N ATOM 1103 CA ASP A 74 8.298 -0.322 7.880 1.00 0.00 C ATOM 1104 C ASP A 74 7.324 -1.384 8.381 1.00 0.00 C ATOM 1105 O ASP A 74 7.436 -2.558 8.028 1.00 0.00 O ATOM 1106 CB ASP A 74 9.240 0.097 9.009 1.00 0.00 C ATOM 1107 CG ASP A 74 10.383 -0.880 9.203 1.00 0.00 C ATOM 1108 OD1 ASP A 74 10.108 -2.069 9.469 1.00 0.00 O ATOM 1109 OD2 ASP A 74 11.552 -0.457 9.090 1.00 0.00 O ATOM 0 H ASP A 74 7.770 1.707 7.859 1.00 0.00 H new ATOM 0 HA ASP A 74 8.886 -0.748 7.067 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.644 1.086 8.793 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.675 0.180 9.938 1.00 0.00 H new ATOM 1114 N ARG A 75 6.371 -0.964 9.207 1.00 0.00 N ATOM 1115 CA ARG A 75 5.380 -1.879 9.759 1.00 0.00 C ATOM 1116 C ARG A 75 4.766 -2.742 8.660 1.00 0.00 C ATOM 1117 O ARG A 75 4.535 -3.936 8.851 1.00 0.00 O ATOM 1118 CB ARG A 75 4.282 -1.099 10.483 1.00 0.00 C ATOM 1119 CG ARG A 75 3.056 -1.936 10.812 1.00 0.00 C ATOM 1120 CD ARG A 75 3.341 -2.925 11.931 1.00 0.00 C ATOM 1121 NE ARG A 75 2.147 -3.217 12.720 1.00 0.00 N ATOM 1122 CZ ARG A 75 1.545 -2.327 13.500 1.00 0.00 C ATOM 1123 NH1 ARG A 75 2.023 -1.093 13.595 1.00 0.00 N ATOM 1124 NH2 ARG A 75 0.463 -2.669 14.187 1.00 0.00 N ATOM 0 H ARG A 75 6.265 0.005 9.508 1.00 0.00 H new ATOM 0 HA ARG A 75 5.882 -2.532 10.472 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.689 -0.688 11.407 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.979 -0.254 9.864 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.235 -1.281 11.104 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.733 -2.475 9.922 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.730 -3.850 11.507 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.116 -2.522 12.582 1.00 0.00 H new ATOM 0 HE ARG A 75 1.754 -4.157 12.669 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.855 -0.826 13.068 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.559 -0.411 14.195 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.093 -3.617 14.116 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.002 -1.984 14.786 1.00 0.00 H new ATOM 1138 N ALA A 76 4.503 -2.129 7.511 1.00 0.00 N ATOM 1139 CA ALA A 76 3.918 -2.841 6.382 1.00 0.00 C ATOM 1140 C ALA A 76 4.886 -3.879 5.825 1.00 0.00 C ATOM 1141 O ALA A 76 4.519 -5.035 5.619 1.00 0.00 O ATOM 1142 CB ALA A 76 3.510 -1.859 5.293 1.00 0.00 C ATOM 0 H ALA A 76 4.686 -1.141 7.337 1.00 0.00 H new ATOM 0 HA ALA A 76 3.030 -3.365 6.736 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.075 -2.404 4.456 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.776 -1.159 5.691 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.387 -1.310 4.951 1.00 0.00 H new ATOM 1148 N GLU A 77 6.123 -3.457 5.582 1.00 0.00 N ATOM 1149 CA GLU A 77 7.143 -4.351 5.047 1.00 0.00 C ATOM 1150 C GLU A 77 7.015 -5.746 5.652 1.00 0.00 C ATOM 1151 O GLU A 77 7.042 -6.750 4.940 1.00 0.00 O ATOM 1152 CB GLU A 77 8.540 -3.790 5.322 1.00 0.00 C ATOM 1153 CG GLU A 77 8.800 -2.451 4.654 1.00 0.00 C ATOM 1154 CD GLU A 77 10.279 -2.143 4.520 1.00 0.00 C ATOM 1155 OE1 GLU A 77 11.010 -2.302 5.520 1.00 0.00 O ATOM 1156 OE2 GLU A 77 10.705 -1.744 3.416 1.00 0.00 O ATOM 0 H GLU A 77 6.443 -2.503 5.747 1.00 0.00 H new ATOM 0 HA GLU A 77 6.995 -4.426 3.970 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.673 -3.682 6.398 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.285 -4.508 4.979 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.341 -2.447 3.665 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.319 -1.662 5.232 1.00 0.00 H new ATOM 1163 N LYS A 78 6.876 -5.801 6.973 1.00 0.00 N ATOM 1164 CA LYS A 78 6.743 -7.072 7.676 1.00 0.00 C ATOM 1165 C LYS A 78 5.478 -7.804 7.242 1.00 0.00 C ATOM 1166 O LYS A 78 5.521 -8.983 6.888 1.00 0.00 O ATOM 1167 CB LYS A 78 6.718 -6.840 9.189 1.00 0.00 C ATOM 1168 CG LYS A 78 8.044 -6.362 9.753 1.00 0.00 C ATOM 1169 CD LYS A 78 9.065 -7.486 9.810 1.00 0.00 C ATOM 1170 CE LYS A 78 10.093 -7.250 10.905 1.00 0.00 C ATOM 1171 NZ LYS A 78 10.988 -8.427 11.089 1.00 0.00 N ATOM 0 H LYS A 78 6.853 -4.980 7.578 1.00 0.00 H new ATOM 0 HA LYS A 78 7.604 -7.691 7.423 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.947 -6.105 9.423 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.435 -7.768 9.686 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.430 -5.550 9.137 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.890 -5.958 10.754 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.555 -8.433 9.986 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.570 -7.570 8.848 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.692 -6.373 10.658 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.581 -7.033 11.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.674 -8.226 11.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.420 -9.258 11.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.496 -8.619 10.202 1.00 0.00 H new ATOM 1185 N LEU A 79 4.353 -7.099 7.269 1.00 0.00 N ATOM 1186 CA LEU A 79 3.074 -7.682 6.877 1.00 0.00 C ATOM 1187 C LEU A 79 3.194 -8.405 5.539 1.00 0.00 C ATOM 1188 O LEU A 79 2.478 -9.372 5.277 1.00 0.00 O ATOM 1189 CB LEU A 79 2.002 -6.595 6.788 1.00 0.00 C ATOM 1190 CG LEU A 79 1.575 -5.963 8.113 1.00 0.00 C ATOM 1191 CD1 LEU A 79 0.640 -4.789 7.868 1.00 0.00 C ATOM 1192 CD2 LEU A 79 0.910 -6.999 9.008 1.00 0.00 C ATOM 0 H LEU A 79 4.300 -6.122 7.558 1.00 0.00 H new ATOM 0 HA LEU A 79 2.784 -8.408 7.637 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.368 -5.805 6.133 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.120 -7.021 6.311 1.00 0.00 H new ATOM 0 HG LEU A 79 2.466 -5.592 8.620 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.347 -4.352 8.823 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.150 -4.037 7.266 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.248 -5.135 7.339 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.613 -6.532 9.947 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.029 -7.400 8.507 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.612 -7.808 9.212 1.00 0.00 H new ATOM 1204 N LYS A 80 4.105 -7.932 4.696 1.00 0.00 N ATOM 1205 CA LYS A 80 4.322 -8.535 3.386 1.00 0.00 C ATOM 1206 C LYS A 80 5.115 -9.832 3.509 1.00 0.00 C ATOM 1207 O LYS A 80 4.796 -10.828 2.861 1.00 0.00 O ATOM 1208 CB LYS A 80 5.061 -7.558 2.468 1.00 0.00 C ATOM 1209 CG LYS A 80 4.367 -6.214 2.326 1.00 0.00 C ATOM 1210 CD LYS A 80 5.214 -5.230 1.538 1.00 0.00 C ATOM 1211 CE LYS A 80 4.746 -3.798 1.749 1.00 0.00 C ATOM 1212 NZ LYS A 80 5.823 -2.813 1.452 1.00 0.00 N ATOM 0 H LYS A 80 4.706 -7.132 4.896 1.00 0.00 H new ATOM 0 HA LYS A 80 3.348 -8.765 2.953 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.067 -7.399 2.855 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.167 -8.009 1.481 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.407 -6.350 1.828 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.158 -5.805 3.315 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.257 -5.322 1.841 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.168 -5.476 0.477 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.886 -3.599 1.110 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.413 -3.673 2.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.465 -1.849 1.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.634 -2.986 2.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.123 -2.915 0.461 1.00 0.00 H new ATOM 1226 N GLU A 81 6.149 -9.811 4.344 1.00 0.00 N ATOM 1227 CA GLU A 81 6.987 -10.987 4.551 1.00 0.00 C ATOM 1228 C GLU A 81 6.230 -12.065 5.322 1.00 0.00 C ATOM 1229 O GLU A 81 6.732 -13.172 5.517 1.00 0.00 O ATOM 1230 CB GLU A 81 8.262 -10.606 5.306 1.00 0.00 C ATOM 1231 CG GLU A 81 8.937 -9.356 4.766 1.00 0.00 C ATOM 1232 CD GLU A 81 9.904 -9.656 3.637 1.00 0.00 C ATOM 1233 OE1 GLU A 81 11.047 -10.068 3.927 1.00 0.00 O ATOM 1234 OE2 GLU A 81 9.517 -9.480 2.463 1.00 0.00 O ATOM 0 H GLU A 81 6.427 -8.994 4.888 1.00 0.00 H new ATOM 0 HA GLU A 81 7.258 -11.385 3.573 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.020 -10.453 6.358 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.965 -11.438 5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.176 -8.661 4.412 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.472 -8.858 5.575 1.00 0.00 H new ATOM 1241 N TYR A 82 5.020 -11.733 5.759 1.00 0.00 N ATOM 1242 CA TYR A 82 4.195 -12.670 6.511 1.00 0.00 C ATOM 1243 C TYR A 82 3.043 -13.190 5.656 1.00 0.00 C ATOM 1244 O TYR A 82 2.763 -14.389 5.633 1.00 0.00 O ATOM 1245 CB TYR A 82 3.647 -12.001 7.772 1.00 0.00 C ATOM 1246 CG TYR A 82 2.335 -12.586 8.246 1.00 0.00 C ATOM 1247 CD1 TYR A 82 2.308 -13.714 9.057 1.00 0.00 C ATOM 1248 CD2 TYR A 82 1.124 -12.010 7.884 1.00 0.00 C ATOM 1249 CE1 TYR A 82 1.112 -14.253 9.492 1.00 0.00 C ATOM 1250 CE2 TYR A 82 -0.076 -12.541 8.316 1.00 0.00 C ATOM 1251 CZ TYR A 82 -0.077 -13.662 9.119 1.00 0.00 C ATOM 1252 OH TYR A 82 -1.271 -14.194 9.550 1.00 0.00 O ATOM 0 H TYR A 82 4.589 -10.821 5.605 1.00 0.00 H new ATOM 0 HA TYR A 82 4.820 -13.515 6.798 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.384 -12.090 8.570 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.512 -10.937 7.579 1.00 0.00 H new ATOM 0 HD1 TYR A 82 3.238 -14.178 9.353 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.120 -11.133 7.254 1.00 0.00 H new ATOM 0 HE1 TYR A 82 1.109 -15.132 10.120 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -1.009 -12.080 8.026 1.00 0.00 H new ATOM 0 HH TYR A 82 -2.013 -13.659 9.199 1.00 0.00 H new ATOM 1262 N LEU A 83 2.380 -12.279 4.952 1.00 0.00 N ATOM 1263 CA LEU A 83 1.258 -12.643 4.094 1.00 0.00 C ATOM 1264 C LEU A 83 1.729 -13.481 2.909 1.00 0.00 C ATOM 1265 O LEU A 83 1.015 -14.366 2.438 1.00 0.00 O ATOM 1266 CB LEU A 83 0.545 -11.386 3.593 1.00 0.00 C ATOM 1267 CG LEU A 83 -0.366 -10.684 4.601 1.00 0.00 C ATOM 1268 CD1 LEU A 83 -0.803 -9.327 4.071 1.00 0.00 C ATOM 1269 CD2 LEU A 83 -1.577 -11.550 4.918 1.00 0.00 C ATOM 0 H LEU A 83 2.600 -11.283 4.958 1.00 0.00 H new ATOM 0 HA LEU A 83 0.560 -13.239 4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.299 -10.674 3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.051 -11.654 2.720 1.00 0.00 H new ATOM 0 HG LEU A 83 0.195 -10.528 5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.451 -8.842 4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.075 -8.705 3.895 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.347 -9.460 3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.214 -11.035 5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.139 -11.738 4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.245 -12.498 5.341 1.00 0.00 H new ATOM 1281 N LYS A 84 2.936 -13.196 2.432 1.00 0.00 N ATOM 1282 CA LYS A 84 3.505 -13.925 1.305 1.00 0.00 C ATOM 1283 C LYS A 84 3.889 -15.344 1.712 1.00 0.00 C ATOM 1284 O LYS A 84 4.106 -16.206 0.861 1.00 0.00 O ATOM 1285 CB LYS A 84 4.733 -13.189 0.763 1.00 0.00 C ATOM 1286 CG LYS A 84 6.035 -13.611 1.422 1.00 0.00 C ATOM 1287 CD LYS A 84 7.041 -12.473 1.449 1.00 0.00 C ATOM 1288 CE LYS A 84 7.697 -12.277 0.090 1.00 0.00 C ATOM 1289 NZ LYS A 84 8.048 -13.576 -0.549 1.00 0.00 N ATOM 0 H LYS A 84 3.539 -12.465 2.809 1.00 0.00 H new ATOM 0 HA LYS A 84 2.748 -13.983 0.523 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.806 -13.363 -0.311 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.595 -12.117 0.904 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.837 -13.946 2.440 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.458 -14.459 0.884 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.542 -11.552 1.750 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.806 -12.680 2.197 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.023 -11.722 -0.562 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.598 -11.674 0.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.760 -13.417 -1.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.434 -14.223 0.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.196 -13.997 -0.971 1.00 0.00 H new