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 Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -6.01! C(o=-6!,f=-7.6!) USER MOD Single : A 16 GLN : amide:sc=-0.00124 X(o=-0.0012,f=-0.0012) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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=-1.5!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.421 K(o=0.42,f=-2!) 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 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.429 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 87:sc= 0.128 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 57:sc= 0.522 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+ -165:sc= -0.0114 (180deg=-0.159) USER MOD Single : A 80 LYS NZ :NH3+ -131:sc= -0.0741 (180deg=-1.17) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0628) USER MOD ----------------------------------------------------------------- ATOM 119 N SER A 12 -6.337 20.423 7.117 1.00 0.00 N ATOM 120 CA SER A 12 -6.785 20.179 5.751 1.00 0.00 C ATOM 121 C SER A 12 -7.325 18.760 5.601 1.00 0.00 C ATOM 122 O SER A 12 -7.043 17.873 6.406 1.00 0.00 O ATOM 123 CB SER A 12 -5.637 20.407 4.766 1.00 0.00 C ATOM 124 OG SER A 12 -5.587 21.759 4.345 1.00 0.00 O ATOM 0 HA SER A 12 -7.589 20.880 5.529 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.692 20.134 5.235 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.763 19.758 3.900 1.00 0.00 H new ATOM 0 HG SER A 12 -4.844 21.879 3.717 1.00 0.00 H new ATOM 130 N PRO A 13 -8.120 18.539 4.544 1.00 0.00 N ATOM 131 CA PRO A 13 -8.716 17.230 4.262 1.00 0.00 C ATOM 132 C PRO A 13 -7.679 16.204 3.819 1.00 0.00 C ATOM 133 O PRO A 13 -7.645 15.084 4.325 1.00 0.00 O ATOM 134 CB PRO A 13 -9.697 17.525 3.123 1.00 0.00 C ATOM 135 CG PRO A 13 -9.149 18.739 2.456 1.00 0.00 C ATOM 136 CD PRO A 13 -8.499 19.551 3.543 1.00 0.00 C ATOM 0 HA PRO A 13 -9.185 16.797 5.146 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.761 16.687 2.429 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.703 17.702 3.503 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.427 18.469 1.686 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.940 19.306 1.966 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.630 20.095 3.173 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.185 20.289 3.958 1.00 0.00 H new ATOM 144 N ASN A 14 -6.834 16.595 2.871 1.00 0.00 N ATOM 145 CA ASN A 14 -5.795 15.709 2.360 1.00 0.00 C ATOM 146 C ASN A 14 -4.965 15.128 3.501 1.00 0.00 C ATOM 147 O ASN A 14 -4.645 13.939 3.508 1.00 0.00 O ATOM 148 CB ASN A 14 -4.886 16.462 1.386 1.00 0.00 C ATOM 149 CG ASN A 14 -4.773 17.936 1.723 1.00 0.00 C ATOM 150 OD1 ASN A 14 -5.767 18.663 1.716 1.00 0.00 O ATOM 151 ND2 ASN A 14 -3.559 18.384 2.019 1.00 0.00 N ATOM 0 H ASN A 14 -6.848 17.520 2.441 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.281 14.888 1.833 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.893 16.012 1.398 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -5.273 16.352 0.373 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.421 19.367 2.253 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.764 17.745 2.012 1.00 0.00 H new ATOM 158 N LEU A 15 -4.621 15.975 4.465 1.00 0.00 N ATOM 159 CA LEU A 15 -3.829 15.547 5.613 1.00 0.00 C ATOM 160 C LEU A 15 -4.666 14.700 6.566 1.00 0.00 C ATOM 161 O LEU A 15 -4.219 13.654 7.036 1.00 0.00 O ATOM 162 CB LEU A 15 -3.267 16.763 6.352 1.00 0.00 C ATOM 163 CG LEU A 15 -2.467 16.466 7.621 1.00 0.00 C ATOM 164 CD1 LEU A 15 -1.368 15.454 7.334 1.00 0.00 C ATOM 165 CD2 LEU A 15 -1.878 17.748 8.192 1.00 0.00 C ATOM 0 H LEU A 15 -4.878 16.962 4.475 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.002 14.939 5.247 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.628 17.317 5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.097 17.419 6.615 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.142 16.038 8.362 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.809 15.255 8.248 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.812 14.527 6.971 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.694 15.854 6.577 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.312 17.518 9.095 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.217 18.204 7.455 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.683 18.441 8.435 1.00 0.00 H new ATOM 177 N GLN A 16 -5.882 15.158 6.845 1.00 0.00 N ATOM 178 CA GLN A 16 -6.781 14.441 7.741 1.00 0.00 C ATOM 179 C GLN A 16 -6.981 13.003 7.275 1.00 0.00 C ATOM 180 O GLN A 16 -6.861 12.062 8.059 1.00 0.00 O ATOM 181 CB GLN A 16 -8.131 15.156 7.822 1.00 0.00 C ATOM 182 CG GLN A 16 -9.175 14.396 8.625 1.00 0.00 C ATOM 183 CD GLN A 16 -8.805 14.269 10.089 1.00 0.00 C ATOM 184 OE1 GLN A 16 -8.736 15.263 10.813 1.00 0.00 O ATOM 185 NE2 GLN A 16 -8.566 13.041 10.535 1.00 0.00 N ATOM 0 H GLN A 16 -6.267 16.022 6.464 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.327 14.423 8.732 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.986 16.139 8.269 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.508 15.318 6.812 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.135 14.905 8.540 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.303 13.401 8.199 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.635 12.246 9.900 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.314 12.893 11.512 1.00 0.00 H new ATOM 194 N LYS A 17 -7.288 12.839 5.992 1.00 0.00 N ATOM 195 CA LYS A 17 -7.505 11.516 5.420 1.00 0.00 C ATOM 196 C LYS A 17 -6.318 10.600 5.702 1.00 0.00 C ATOM 197 O LYS A 17 -6.487 9.404 5.935 1.00 0.00 O ATOM 198 CB LYS A 17 -7.732 11.622 3.910 1.00 0.00 C ATOM 199 CG LYS A 17 -7.937 10.279 3.230 1.00 0.00 C ATOM 200 CD LYS A 17 -8.833 10.403 2.009 1.00 0.00 C ATOM 201 CE LYS A 17 -9.527 9.088 1.691 1.00 0.00 C ATOM 202 NZ LYS A 17 -10.595 9.257 0.668 1.00 0.00 N ATOM 0 H LYS A 17 -7.392 13.607 5.329 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.392 11.087 5.886 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.603 12.250 3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.876 12.123 3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.971 9.869 2.934 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.378 9.576 3.936 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.580 11.177 2.182 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.239 10.719 1.151 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.792 8.367 1.333 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.960 8.676 2.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.044 8.338 0.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.310 9.925 1.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.179 9.626 -0.211 1.00 0.00 H new ATOM 216 N ALA A 18 -5.118 11.171 5.682 1.00 0.00 N ATOM 217 CA ALA A 18 -3.904 10.406 5.940 1.00 0.00 C ATOM 218 C ALA A 18 -3.870 9.899 7.378 1.00 0.00 C ATOM 219 O ALA A 18 -3.657 8.711 7.622 1.00 0.00 O ATOM 220 CB ALA A 18 -2.675 11.253 5.647 1.00 0.00 C ATOM 0 H ALA A 18 -4.961 12.160 5.490 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.901 9.540 5.278 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.776 10.670 5.844 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.686 11.561 4.601 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.681 12.136 6.285 1.00 0.00 H new ATOM 226 N ILE A 19 -4.079 10.807 8.326 1.00 0.00 N ATOM 227 CA ILE A 19 -4.072 10.451 9.739 1.00 0.00 C ATOM 228 C ILE A 19 -5.052 9.318 10.025 1.00 0.00 C ATOM 229 O ILE A 19 -4.667 8.265 10.534 1.00 0.00 O ATOM 230 CB ILE A 19 -4.428 11.659 10.626 1.00 0.00 C ATOM 231 CG1 ILE A 19 -3.388 12.768 10.456 1.00 0.00 C ATOM 232 CG2 ILE A 19 -4.525 11.235 12.084 1.00 0.00 C ATOM 233 CD1 ILE A 19 -3.918 14.148 10.777 1.00 0.00 C ATOM 0 H ILE A 19 -4.255 11.794 8.141 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.060 10.122 9.977 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.398 12.046 10.315 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.535 12.556 11.100 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.022 12.758 9.429 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.777 12.099 12.698 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.299 10.475 12.191 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.568 10.826 12.408 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.127 14.884 10.635 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.753 14.380 10.116 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.257 14.176 11.813 1.00 0.00 H new ATOM 245 N ASP A 20 -6.318 9.541 9.694 1.00 0.00 N ATOM 246 CA ASP A 20 -7.354 8.538 9.912 1.00 0.00 C ATOM 247 C ASP A 20 -6.934 7.189 9.336 1.00 0.00 C ATOM 248 O ASP A 20 -7.110 6.148 9.971 1.00 0.00 O ATOM 249 CB ASP A 20 -8.672 8.988 9.281 1.00 0.00 C ATOM 250 CG ASP A 20 -9.881 8.415 9.993 1.00 0.00 C ATOM 251 OD1 ASP A 20 -9.993 7.173 10.066 1.00 0.00 O ATOM 252 OD2 ASP A 20 -10.717 9.207 10.477 1.00 0.00 O ATOM 0 H ASP A 20 -6.653 10.408 9.273 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.495 8.426 10.987 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.726 10.077 9.298 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.693 8.684 8.234 1.00 0.00 H new ATOM 257 N LEU A 21 -6.380 7.214 8.129 1.00 0.00 N ATOM 258 CA LEU A 21 -5.936 5.993 7.465 1.00 0.00 C ATOM 259 C LEU A 21 -4.917 5.248 8.321 1.00 0.00 C ATOM 260 O LEU A 21 -5.092 4.069 8.627 1.00 0.00 O ATOM 261 CB LEU A 21 -5.329 6.323 6.100 1.00 0.00 C ATOM 262 CG LEU A 21 -6.324 6.572 4.966 1.00 0.00 C ATOM 263 CD1 LEU A 21 -5.610 7.121 3.741 1.00 0.00 C ATOM 264 CD2 LEU A 21 -7.071 5.291 4.621 1.00 0.00 C ATOM 0 H LEU A 21 -6.227 8.066 7.590 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.804 5.349 7.323 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.702 7.208 6.208 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.674 5.502 5.808 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.050 7.313 5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.334 7.292 2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.122 8.062 3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.862 6.403 3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.775 5.487 3.812 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.359 4.528 4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.615 4.939 5.498 1.00 0.00 H new ATOM 276 N ALA A 22 -3.853 5.945 8.706 1.00 0.00 N ATOM 277 CA ALA A 22 -2.808 5.351 9.530 1.00 0.00 C ATOM 278 C ALA A 22 -3.390 4.745 10.802 1.00 0.00 C ATOM 279 O ALA A 22 -3.006 3.649 11.210 1.00 0.00 O ATOM 280 CB ALA A 22 -1.752 6.391 9.874 1.00 0.00 C ATOM 0 H ALA A 22 -3.692 6.922 8.460 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.340 4.550 8.958 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.978 5.933 10.490 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.306 6.774 8.956 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.214 7.211 10.423 1.00 0.00 H new ATOM 286 N SER A 23 -4.318 5.465 11.424 1.00 0.00 N ATOM 287 CA SER A 23 -4.950 4.999 12.653 1.00 0.00 C ATOM 288 C SER A 23 -5.728 3.710 12.409 1.00 0.00 C ATOM 289 O SER A 23 -5.571 2.728 13.136 1.00 0.00 O ATOM 290 CB SER A 23 -5.884 6.075 13.210 1.00 0.00 C ATOM 291 OG SER A 23 -6.242 5.794 14.553 1.00 0.00 O ATOM 0 H SER A 23 -4.649 6.373 11.097 1.00 0.00 H new ATOM 0 HA SER A 23 -4.165 4.796 13.382 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.396 7.048 13.156 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.782 6.135 12.596 1.00 0.00 H new ATOM 0 HG SER A 23 -6.838 6.497 14.887 1.00 0.00 H new ATOM 297 N LYS A 24 -6.569 3.720 11.380 1.00 0.00 N ATOM 298 CA LYS A 24 -7.373 2.553 11.037 1.00 0.00 C ATOM 299 C LYS A 24 -6.498 1.310 10.906 1.00 0.00 C ATOM 300 O LYS A 24 -6.794 0.267 11.489 1.00 0.00 O ATOM 301 CB LYS A 24 -8.131 2.796 9.730 1.00 0.00 C ATOM 302 CG LYS A 24 -9.356 1.914 9.564 1.00 0.00 C ATOM 303 CD LYS A 24 -10.147 2.287 8.321 1.00 0.00 C ATOM 304 CE LYS A 24 -11.554 1.712 8.363 1.00 0.00 C ATOM 305 NZ LYS A 24 -12.407 2.251 7.268 1.00 0.00 N ATOM 0 H LYS A 24 -6.711 4.524 10.769 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.091 2.388 11.841 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.438 3.841 9.687 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.456 2.627 8.891 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.048 0.870 9.501 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.994 2.006 10.443 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.199 3.372 8.233 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.629 1.920 7.435 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.505 0.626 8.284 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.011 1.941 9.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.358 1.835 7.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.475 3.285 7.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.985 2.011 6.349 1.00 0.00 H new ATOM 319 N ALA A 25 -5.420 1.428 10.137 1.00 0.00 N ATOM 320 CA ALA A 25 -4.502 0.316 9.933 1.00 0.00 C ATOM 321 C ALA A 25 -4.226 -0.416 11.242 1.00 0.00 C ATOM 322 O ALA A 25 -4.364 -1.636 11.323 1.00 0.00 O ATOM 323 CB ALA A 25 -3.201 0.811 9.319 1.00 0.00 C ATOM 0 H ALA A 25 -5.162 2.284 9.645 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.971 -0.388 9.245 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.524 -0.031 9.172 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.408 1.282 8.358 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.737 1.537 9.986 1.00 0.00 H new ATOM 329 N ALA A 26 -3.835 0.337 12.265 1.00 0.00 N ATOM 330 CA ALA A 26 -3.541 -0.240 13.570 1.00 0.00 C ATOM 331 C ALA A 26 -4.673 -1.149 14.036 1.00 0.00 C ATOM 332 O ALA A 26 -4.445 -2.301 14.403 1.00 0.00 O ATOM 333 CB ALA A 26 -3.292 0.861 14.590 1.00 0.00 C ATOM 0 H ALA A 26 -3.715 1.349 12.214 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.639 -0.845 13.477 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.074 0.415 15.560 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.445 1.468 14.271 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.179 1.490 14.671 1.00 0.00 H new ATOM 339 N GLN A 27 -5.893 -0.623 14.019 1.00 0.00 N ATOM 340 CA GLN A 27 -7.061 -1.387 14.441 1.00 0.00 C ATOM 341 C GLN A 27 -7.085 -2.758 13.773 1.00 0.00 C ATOM 342 O GLN A 27 -7.302 -3.775 14.430 1.00 0.00 O ATOM 343 CB GLN A 27 -8.344 -0.623 14.111 1.00 0.00 C ATOM 344 CG GLN A 27 -8.244 0.872 14.363 1.00 0.00 C ATOM 345 CD GLN A 27 -9.601 1.532 14.510 1.00 0.00 C ATOM 346 OE1 GLN A 27 -10.089 2.187 13.589 1.00 0.00 O ATOM 347 NE2 GLN A 27 -10.219 1.362 15.673 1.00 0.00 N ATOM 0 H GLN A 27 -6.099 0.329 13.717 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.000 -1.530 15.520 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.597 -0.790 13.064 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.162 -1.029 14.706 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.660 1.046 15.267 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.704 1.340 13.540 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.778 0.811 16.409 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.135 1.782 15.830 1.00 0.00 H new ATOM 356 N GLU A 28 -6.860 -2.776 12.463 1.00 0.00 N ATOM 357 CA GLU A 28 -6.858 -4.023 11.706 1.00 0.00 C ATOM 358 C GLU A 28 -5.733 -4.942 12.175 1.00 0.00 C ATOM 359 O GLU A 28 -5.964 -6.108 12.496 1.00 0.00 O ATOM 360 CB GLU A 28 -6.707 -3.737 10.210 1.00 0.00 C ATOM 361 CG GLU A 28 -7.915 -3.049 9.597 1.00 0.00 C ATOM 362 CD GLU A 28 -9.225 -3.676 10.030 1.00 0.00 C ATOM 363 OE1 GLU A 28 -9.698 -3.355 11.140 1.00 0.00 O ATOM 364 OE2 GLU A 28 -9.778 -4.488 9.259 1.00 0.00 O ATOM 0 H GLU A 28 -6.677 -1.943 11.904 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.810 -4.525 11.879 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.827 -3.113 10.055 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.529 -4.676 9.685 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.910 -1.996 9.878 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.839 -3.089 8.510 1.00 0.00 H new ATOM 371 N ASP A 29 -4.518 -4.408 12.212 1.00 0.00 N ATOM 372 CA ASP A 29 -3.357 -5.179 12.642 1.00 0.00 C ATOM 373 C ASP A 29 -3.596 -5.800 14.015 1.00 0.00 C ATOM 374 O ASP A 29 -3.197 -6.937 14.272 1.00 0.00 O ATOM 375 CB ASP A 29 -2.113 -4.290 12.681 1.00 0.00 C ATOM 376 CG ASP A 29 -0.827 -5.090 12.616 1.00 0.00 C ATOM 377 OD1 ASP A 29 -0.799 -6.111 11.897 1.00 0.00 O ATOM 378 OD2 ASP A 29 0.151 -4.694 13.283 1.00 0.00 O ATOM 0 H ASP A 29 -4.311 -3.444 11.950 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.198 -5.982 11.922 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.144 -3.590 11.846 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.123 -3.697 13.595 1.00 0.00 H new ATOM 383 N LYS A 30 -4.248 -5.048 14.894 1.00 0.00 N ATOM 384 CA LYS A 30 -4.541 -5.523 16.241 1.00 0.00 C ATOM 385 C LYS A 30 -5.631 -6.590 16.216 1.00 0.00 C ATOM 386 O LYS A 30 -5.648 -7.493 17.052 1.00 0.00 O ATOM 387 CB LYS A 30 -4.973 -4.357 17.133 1.00 0.00 C ATOM 388 CG LYS A 30 -4.635 -4.556 18.600 1.00 0.00 C ATOM 389 CD LYS A 30 -4.383 -3.231 19.299 1.00 0.00 C ATOM 390 CE LYS A 30 -5.684 -2.573 19.732 1.00 0.00 C ATOM 391 NZ LYS A 30 -5.466 -1.569 20.810 1.00 0.00 N ATOM 0 H LYS A 30 -4.584 -4.105 14.698 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.633 -5.966 16.649 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.495 -3.443 16.779 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.049 -4.213 17.033 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.453 -5.080 19.095 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.752 -5.189 18.688 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.748 -3.393 20.170 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.841 -2.563 18.630 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.149 -2.089 18.873 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.378 -3.337 20.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.376 -1.143 21.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.045 -2.035 21.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.824 -0.826 20.468 1.00 0.00 H new ATOM 405 N ALA A 31 -6.539 -6.480 15.252 1.00 0.00 N ATOM 406 CA ALA A 31 -7.630 -7.437 15.116 1.00 0.00 C ATOM 407 C ALA A 31 -7.176 -8.683 14.364 1.00 0.00 C ATOM 408 O ALA A 31 -7.948 -9.623 14.178 1.00 0.00 O ATOM 409 CB ALA A 31 -8.813 -6.792 14.410 1.00 0.00 C ATOM 0 H ALA A 31 -6.541 -5.737 14.553 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.941 -7.741 16.115 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.620 -7.518 14.315 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.160 -5.937 14.990 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.507 -6.458 13.418 1.00 0.00 H new ATOM 415 N GLY A 32 -5.919 -8.683 13.932 1.00 0.00 N ATOM 416 CA GLY A 32 -5.385 -9.820 13.203 1.00 0.00 C ATOM 417 C GLY A 32 -5.405 -9.607 11.702 1.00 0.00 C ATOM 418 O GLY A 32 -4.808 -10.377 10.952 1.00 0.00 O ATOM 0 H GLY A 32 -5.261 -7.917 14.073 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.361 -10.007 13.527 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.965 -10.710 13.448 1.00 0.00 H new ATOM 422 N ASN A 33 -6.097 -8.560 11.264 1.00 0.00 N ATOM 423 CA ASN A 33 -6.195 -8.250 9.842 1.00 0.00 C ATOM 424 C ASN A 33 -4.926 -7.563 9.346 1.00 0.00 C ATOM 425 O ASN A 33 -4.813 -6.338 9.392 1.00 0.00 O ATOM 426 CB ASN A 33 -7.409 -7.358 9.575 1.00 0.00 C ATOM 427 CG ASN A 33 -8.701 -8.148 9.499 1.00 0.00 C ATOM 428 OD1 ASN A 33 -8.687 -9.368 9.330 1.00 0.00 O ATOM 429 ND2 ASN A 33 -9.827 -7.455 9.622 1.00 0.00 N ATOM 0 H ASN A 33 -6.598 -7.912 11.873 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.315 -9.187 9.299 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.489 -6.611 10.365 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.261 -6.818 8.640 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.727 -7.933 9.578 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.792 -6.445 9.761 1.00 0.00 H new ATOM 436 N TYR A 34 -3.974 -8.360 8.873 1.00 0.00 N ATOM 437 CA TYR A 34 -2.713 -7.829 8.371 1.00 0.00 C ATOM 438 C TYR A 34 -2.867 -7.317 6.942 1.00 0.00 C ATOM 439 O TYR A 34 -2.367 -6.247 6.598 1.00 0.00 O ATOM 440 CB TYR A 34 -1.625 -8.903 8.425 1.00 0.00 C ATOM 441 CG TYR A 34 -1.096 -9.159 9.818 1.00 0.00 C ATOM 442 CD1 TYR A 34 -1.839 -8.813 10.939 1.00 0.00 C ATOM 443 CD2 TYR A 34 0.148 -9.747 10.012 1.00 0.00 C ATOM 444 CE1 TYR A 34 -1.359 -9.044 12.214 1.00 0.00 C ATOM 445 CE2 TYR A 34 0.636 -9.983 11.283 1.00 0.00 C ATOM 446 CZ TYR A 34 -0.121 -9.630 12.380 1.00 0.00 C ATOM 447 OH TYR A 34 0.361 -9.863 13.648 1.00 0.00 O ATOM 0 H TYR A 34 -4.052 -9.376 8.827 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.422 -6.994 9.008 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.024 -9.833 8.020 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.798 -8.604 7.781 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -2.809 -8.355 10.812 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.744 -10.024 9.155 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.949 -8.768 13.075 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.605 -10.441 11.416 1.00 0.00 H new ATOM 0 HH TYR A 34 1.245 -10.282 13.590 1.00 0.00 H new ATOM 457 N GLU A 35 -3.565 -8.090 6.116 1.00 0.00 N ATOM 458 CA GLU A 35 -3.786 -7.716 4.724 1.00 0.00 C ATOM 459 C GLU A 35 -4.490 -6.365 4.629 1.00 0.00 C ATOM 460 O GLU A 35 -4.121 -5.518 3.816 1.00 0.00 O ATOM 461 CB GLU A 35 -4.614 -8.786 4.010 1.00 0.00 C ATOM 462 CG GLU A 35 -5.858 -9.204 4.775 1.00 0.00 C ATOM 463 CD GLU A 35 -6.755 -10.125 3.971 1.00 0.00 C ATOM 464 OE1 GLU A 35 -6.369 -11.295 3.763 1.00 0.00 O ATOM 465 OE2 GLU A 35 -7.842 -9.677 3.551 1.00 0.00 O ATOM 0 H GLU A 35 -3.987 -8.978 6.386 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.814 -7.635 4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.909 -8.411 3.030 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.990 -9.663 3.841 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.562 -9.705 5.697 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.420 -8.315 5.062 1.00 0.00 H new ATOM 472 N GLU A 36 -5.504 -6.173 5.466 1.00 0.00 N ATOM 473 CA GLU A 36 -6.261 -4.927 5.475 1.00 0.00 C ATOM 474 C GLU A 36 -5.445 -3.800 6.104 1.00 0.00 C ATOM 475 O GLU A 36 -5.507 -2.654 5.662 1.00 0.00 O ATOM 476 CB GLU A 36 -7.575 -5.107 6.238 1.00 0.00 C ATOM 477 CG GLU A 36 -8.668 -4.146 5.803 1.00 0.00 C ATOM 478 CD GLU A 36 -9.462 -4.663 4.620 1.00 0.00 C ATOM 479 OE1 GLU A 36 -10.436 -5.413 4.840 1.00 0.00 O ATOM 480 OE2 GLU A 36 -9.109 -4.318 3.472 1.00 0.00 O ATOM 0 H GLU A 36 -5.820 -6.864 6.146 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.484 -4.660 4.442 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.927 -6.130 6.102 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.388 -4.973 7.303 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.344 -3.968 6.639 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.221 -3.186 5.544 1.00 0.00 H new ATOM 487 N ALA A 37 -4.683 -4.136 7.139 1.00 0.00 N ATOM 488 CA ALA A 37 -3.854 -3.155 7.828 1.00 0.00 C ATOM 489 C ALA A 37 -2.729 -2.657 6.928 1.00 0.00 C ATOM 490 O ALA A 37 -2.390 -1.473 6.937 1.00 0.00 O ATOM 491 CB ALA A 37 -3.284 -3.750 9.108 1.00 0.00 C ATOM 0 H ALA A 37 -4.622 -5.081 7.519 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.483 -2.302 8.085 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.667 -3.006 9.612 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.100 -4.050 9.765 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.676 -4.621 8.865 1.00 0.00 H new ATOM 497 N LEU A 38 -2.152 -3.568 6.151 1.00 0.00 N ATOM 498 CA LEU A 38 -1.064 -3.221 5.244 1.00 0.00 C ATOM 499 C LEU A 38 -1.456 -2.053 4.345 1.00 0.00 C ATOM 500 O LEU A 38 -0.792 -1.016 4.334 1.00 0.00 O ATOM 501 CB LEU A 38 -0.680 -4.430 4.390 1.00 0.00 C ATOM 502 CG LEU A 38 0.337 -4.172 3.278 1.00 0.00 C ATOM 503 CD1 LEU A 38 1.706 -3.870 3.867 1.00 0.00 C ATOM 504 CD2 LEU A 38 0.411 -5.364 2.335 1.00 0.00 C ATOM 0 H LEU A 38 -2.420 -4.552 6.131 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.205 -2.921 5.845 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.281 -5.202 5.048 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.587 -4.833 3.939 1.00 0.00 H new ATOM 0 HG LEU A 38 0.010 -3.303 2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.417 -3.689 3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.642 -2.985 4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.041 -4.719 4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.140 -5.162 1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.714 -6.251 2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.568 -5.534 1.886 1.00 0.00 H new ATOM 516 N GLN A 39 -2.538 -2.227 3.594 1.00 0.00 N ATOM 517 CA GLN A 39 -3.019 -1.187 2.693 1.00 0.00 C ATOM 518 C GLN A 39 -3.184 0.138 3.431 1.00 0.00 C ATOM 519 O GLN A 39 -2.671 1.171 2.997 1.00 0.00 O ATOM 520 CB GLN A 39 -4.349 -1.602 2.063 1.00 0.00 C ATOM 521 CG GLN A 39 -4.203 -2.639 0.961 1.00 0.00 C ATOM 522 CD GLN A 39 -3.903 -2.017 -0.389 1.00 0.00 C ATOM 523 OE1 GLN A 39 -4.814 -1.702 -1.156 1.00 0.00 O ATOM 524 NE2 GLN A 39 -2.622 -1.838 -0.687 1.00 0.00 N ATOM 0 H GLN A 39 -3.099 -3.079 3.592 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.278 -1.054 1.904 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.001 -2.000 2.840 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.840 -0.718 1.656 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.404 -3.332 1.223 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.121 -3.222 0.892 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.900 -2.114 -0.021 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.359 -1.425 -1.582 1.00 0.00 H new ATOM 533 N LEU A 40 -3.903 0.102 4.547 1.00 0.00 N ATOM 534 CA LEU A 40 -4.136 1.301 5.346 1.00 0.00 C ATOM 535 C LEU A 40 -2.817 1.953 5.747 1.00 0.00 C ATOM 536 O LEU A 40 -2.732 3.174 5.883 1.00 0.00 O ATOM 537 CB LEU A 40 -4.949 0.955 6.595 1.00 0.00 C ATOM 538 CG LEU A 40 -6.416 0.593 6.362 1.00 0.00 C ATOM 539 CD1 LEU A 40 -7.012 -0.046 7.607 1.00 0.00 C ATOM 540 CD2 LEU A 40 -7.212 1.827 5.961 1.00 0.00 C ATOM 0 H LEU A 40 -4.335 -0.744 4.920 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.699 2.009 4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.465 0.119 7.099 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.909 1.804 7.277 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.468 -0.129 5.547 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.057 -0.297 7.423 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.459 -0.953 7.851 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.949 0.653 8.441 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.254 1.551 5.799 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.153 2.572 6.755 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.800 2.243 5.042 1.00 0.00 H new ATOM 552 N TYR A 41 -1.790 1.131 5.934 1.00 0.00 N ATOM 553 CA TYR A 41 -0.475 1.628 6.321 1.00 0.00 C ATOM 554 C TYR A 41 0.204 2.338 5.153 1.00 0.00 C ATOM 555 O TYR A 41 0.811 3.394 5.325 1.00 0.00 O ATOM 556 CB TYR A 41 0.404 0.476 6.812 1.00 0.00 C ATOM 557 CG TYR A 41 0.247 0.181 8.286 1.00 0.00 C ATOM 558 CD1 TYR A 41 0.327 1.197 9.231 1.00 0.00 C ATOM 559 CD2 TYR A 41 0.019 -1.114 8.735 1.00 0.00 C ATOM 560 CE1 TYR A 41 0.184 0.932 10.579 1.00 0.00 C ATOM 561 CE2 TYR A 41 -0.126 -1.388 10.081 1.00 0.00 C ATOM 562 CZ TYR A 41 -0.042 -0.362 10.999 1.00 0.00 C ATOM 563 OH TYR A 41 -0.185 -0.632 12.341 1.00 0.00 O ATOM 0 H TYR A 41 -1.843 0.118 5.824 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.609 2.345 7.131 1.00 0.00 H new ATOM 0 HB2 TYR A 41 0.163 -0.422 6.243 1.00 0.00 H new ATOM 0 HB3 TYR A 41 1.448 0.713 6.607 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.504 2.211 8.906 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.046 -1.920 8.019 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.249 1.734 11.300 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.304 -2.400 10.413 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.340 -1.591 12.467 1.00 0.00 H new ATOM 573 N GLN A 42 0.094 1.750 3.967 1.00 0.00 N ATOM 574 CA GLN A 42 0.697 2.326 2.770 1.00 0.00 C ATOM 575 C GLN A 42 -0.066 3.568 2.321 1.00 0.00 C ATOM 576 O GLN A 42 0.524 4.519 1.807 1.00 0.00 O ATOM 577 CB GLN A 42 0.726 1.294 1.641 1.00 0.00 C ATOM 578 CG GLN A 42 1.383 -0.019 2.034 1.00 0.00 C ATOM 579 CD GLN A 42 1.845 -0.822 0.834 1.00 0.00 C ATOM 580 OE1 GLN A 42 2.944 -0.614 0.320 1.00 0.00 O ATOM 581 NE2 GLN A 42 1.006 -1.746 0.381 1.00 0.00 N ATOM 0 H GLN A 42 -0.407 0.876 3.808 1.00 0.00 H new ATOM 0 HA GLN A 42 1.719 2.617 3.012 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.295 1.096 1.314 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.258 1.716 0.788 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.237 0.185 2.680 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.678 -0.614 2.615 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.105 -1.885 0.838 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.263 -2.317 -0.424 1.00 0.00 H new ATOM 590 N HIS A 43 -1.380 3.553 2.517 1.00 0.00 N ATOM 591 CA HIS A 43 -2.224 4.679 2.132 1.00 0.00 C ATOM 592 C HIS A 43 -1.870 5.924 2.940 1.00 0.00 C ATOM 593 O HIS A 43 -1.615 6.988 2.377 1.00 0.00 O ATOM 594 CB HIS A 43 -3.699 4.330 2.331 1.00 0.00 C ATOM 595 CG HIS A 43 -4.330 3.690 1.132 1.00 0.00 C ATOM 596 ND1 HIS A 43 -4.674 4.394 -0.003 1.00 0.00 N ATOM 597 CD2 HIS A 43 -4.679 2.404 0.896 1.00 0.00 C ATOM 598 CE1 HIS A 43 -5.207 3.569 -0.885 1.00 0.00 C ATOM 599 NE2 HIS A 43 -5.222 2.355 -0.365 1.00 0.00 N ATOM 0 H HIS A 43 -1.884 2.774 2.940 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.048 4.889 1.077 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.793 3.657 3.183 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.248 5.238 2.579 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.554 1.572 1.573 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.569 3.841 -1.865 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -5.579 1.517 -0.825 1.00 0.00 H new ATOM 608 N ALA A 44 -1.858 5.782 4.261 1.00 0.00 N ATOM 609 CA ALA A 44 -1.534 6.895 5.145 1.00 0.00 C ATOM 610 C ALA A 44 -0.363 7.706 4.601 1.00 0.00 C ATOM 611 O ALA A 44 -0.377 8.937 4.638 1.00 0.00 O ATOM 612 CB ALA A 44 -1.221 6.384 6.544 1.00 0.00 C ATOM 0 H ALA A 44 -2.069 4.908 4.743 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.403 7.551 5.196 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.981 7.226 7.194 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.088 5.855 6.941 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.370 5.704 6.501 1.00 0.00 H new ATOM 618 N VAL A 45 0.650 7.009 4.098 1.00 0.00 N ATOM 619 CA VAL A 45 1.830 7.665 3.546 1.00 0.00 C ATOM 620 C VAL A 45 1.508 8.353 2.224 1.00 0.00 C ATOM 621 O VAL A 45 1.811 9.532 2.038 1.00 0.00 O ATOM 622 CB VAL A 45 2.977 6.661 3.323 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.216 7.374 2.802 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.285 5.910 4.609 1.00 0.00 C ATOM 0 H VAL A 45 0.678 5.990 4.061 1.00 0.00 H new ATOM 0 HA VAL A 45 2.147 8.412 4.274 1.00 0.00 H new ATOM 0 HB VAL A 45 2.662 5.936 2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.016 6.649 2.650 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.984 7.862 1.855 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.537 8.122 3.527 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.098 5.205 4.433 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.581 6.619 5.382 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.398 5.367 4.935 1.00 0.00 H new ATOM 634 N GLN A 46 0.892 7.610 1.311 1.00 0.00 N ATOM 635 CA GLN A 46 0.528 8.150 0.006 1.00 0.00 C ATOM 636 C GLN A 46 -0.129 9.519 0.147 1.00 0.00 C ATOM 637 O GLN A 46 0.209 10.458 -0.574 1.00 0.00 O ATOM 638 CB GLN A 46 -0.415 7.191 -0.722 1.00 0.00 C ATOM 639 CG GLN A 46 0.222 5.853 -1.063 1.00 0.00 C ATOM 640 CD GLN A 46 1.023 5.899 -2.350 1.00 0.00 C ATOM 641 OE1 GLN A 46 2.252 5.832 -2.332 1.00 0.00 O ATOM 642 NE2 GLN A 46 0.328 6.015 -3.476 1.00 0.00 N ATOM 0 H GLN A 46 0.634 6.633 1.450 1.00 0.00 H new ATOM 0 HA GLN A 46 1.441 8.264 -0.579 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.294 7.018 -0.101 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.762 7.664 -1.641 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.873 5.546 -0.245 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.557 5.096 -1.151 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.690 6.067 -3.444 1.00 0.00 H new ATOM 0 HE22 GLN A 46 0.812 6.052 -4.373 1.00 0.00 H new ATOM 651 N TYR A 47 -1.070 9.625 1.079 1.00 0.00 N ATOM 652 CA TYR A 47 -1.777 10.878 1.312 1.00 0.00 C ATOM 653 C TYR A 47 -0.857 11.911 1.956 1.00 0.00 C ATOM 654 O TYR A 47 -0.875 13.087 1.594 1.00 0.00 O ATOM 655 CB TYR A 47 -2.998 10.641 2.202 1.00 0.00 C ATOM 656 CG TYR A 47 -4.157 9.991 1.480 1.00 0.00 C ATOM 657 CD1 TYR A 47 -5.090 10.757 0.793 1.00 0.00 C ATOM 658 CD2 TYR A 47 -4.319 8.611 1.487 1.00 0.00 C ATOM 659 CE1 TYR A 47 -6.150 10.168 0.132 1.00 0.00 C ATOM 660 CE2 TYR A 47 -5.376 8.013 0.828 1.00 0.00 C ATOM 661 CZ TYR A 47 -6.289 8.795 0.152 1.00 0.00 C ATOM 662 OH TYR A 47 -7.343 8.204 -0.504 1.00 0.00 O ATOM 0 H TYR A 47 -1.360 8.858 1.685 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.108 11.264 0.348 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.707 10.013 3.044 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.327 11.595 2.615 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.985 11.832 0.775 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.607 7.995 2.016 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.866 10.779 -0.398 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.487 6.939 0.842 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.294 7.232 -0.392 1.00 0.00 H new ATOM 672 N PHE A 48 -0.052 11.461 2.914 1.00 0.00 N ATOM 673 CA PHE A 48 0.876 12.345 3.610 1.00 0.00 C ATOM 674 C PHE A 48 1.785 13.067 2.620 1.00 0.00 C ATOM 675 O PHE A 48 1.886 14.294 2.632 1.00 0.00 O ATOM 676 CB PHE A 48 1.718 11.549 4.608 1.00 0.00 C ATOM 677 CG PHE A 48 1.022 11.299 5.915 1.00 0.00 C ATOM 678 CD1 PHE A 48 0.362 12.325 6.571 1.00 0.00 C ATOM 679 CD2 PHE A 48 1.028 10.038 6.488 1.00 0.00 C ATOM 680 CE1 PHE A 48 -0.281 12.098 7.774 1.00 0.00 C ATOM 681 CE2 PHE A 48 0.387 9.804 7.690 1.00 0.00 C ATOM 682 CZ PHE A 48 -0.267 10.836 8.335 1.00 0.00 C ATOM 0 H PHE A 48 -0.024 10.490 3.226 1.00 0.00 H new ATOM 0 HA PHE A 48 0.294 13.091 4.151 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.989 10.592 4.161 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.647 12.087 4.797 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.349 13.314 6.138 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.540 9.228 5.990 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.793 12.906 8.274 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.397 8.815 8.125 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.766 10.656 9.276 1.00 0.00 H new ATOM 692 N LEU A 49 2.447 12.296 1.764 1.00 0.00 N ATOM 693 CA LEU A 49 3.351 12.860 0.767 1.00 0.00 C ATOM 694 C LEU A 49 2.664 13.969 -0.024 1.00 0.00 C ATOM 695 O LEU A 49 3.126 15.111 -0.041 1.00 0.00 O ATOM 696 CB LEU A 49 3.838 11.766 -0.185 1.00 0.00 C ATOM 697 CG LEU A 49 4.835 10.764 0.398 1.00 0.00 C ATOM 698 CD1 LEU A 49 5.081 9.625 -0.579 1.00 0.00 C ATOM 699 CD2 LEU A 49 6.143 11.457 0.752 1.00 0.00 C ATOM 0 H LEU A 49 2.375 11.279 1.740 1.00 0.00 H new ATOM 0 HA LEU A 49 4.208 13.287 1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.970 11.215 -0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.297 12.243 -1.051 1.00 0.00 H new ATOM 0 HG LEU A 49 4.409 10.347 1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.793 8.922 -0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.142 9.111 -0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.485 10.024 -1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.840 10.728 1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.573 11.903 -0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.954 12.237 1.489 1.00 0.00 H new ATOM 711 N HIS A 50 1.557 13.627 -0.675 1.00 0.00 N ATOM 712 CA HIS A 50 0.805 14.595 -1.466 1.00 0.00 C ATOM 713 C HIS A 50 0.746 15.945 -0.758 1.00 0.00 C ATOM 714 O HIS A 50 0.902 16.993 -1.385 1.00 0.00 O ATOM 715 CB HIS A 50 -0.611 14.081 -1.727 1.00 0.00 C ATOM 716 CG HIS A 50 -1.426 14.988 -2.596 1.00 0.00 C ATOM 717 ND1 HIS A 50 -1.009 15.415 -3.839 1.00 0.00 N ATOM 718 CD2 HIS A 50 -2.642 15.548 -2.397 1.00 0.00 C ATOM 719 CE1 HIS A 50 -1.932 16.200 -4.365 1.00 0.00 C ATOM 720 NE2 HIS A 50 -2.934 16.297 -3.510 1.00 0.00 N ATOM 0 H HIS A 50 1.161 12.687 -0.671 1.00 0.00 H new ATOM 0 HA HIS A 50 1.318 14.726 -2.419 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.552 13.099 -2.196 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.122 13.949 -0.773 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -3.267 15.428 -1.524 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.877 16.681 -5.330 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -3.786 16.840 -3.653 1.00 0.00 H new ATOM 729 N VAL A 51 0.520 15.913 0.551 1.00 0.00 N ATOM 730 CA VAL A 51 0.441 17.134 1.344 1.00 0.00 C ATOM 731 C VAL A 51 1.782 17.857 1.374 1.00 0.00 C ATOM 732 O VAL A 51 1.895 18.998 0.923 1.00 0.00 O ATOM 733 CB VAL A 51 -0.003 16.838 2.789 1.00 0.00 C ATOM 734 CG1 VAL A 51 -0.074 18.122 3.600 1.00 0.00 C ATOM 735 CG2 VAL A 51 -1.343 16.118 2.797 1.00 0.00 C ATOM 0 H VAL A 51 0.388 15.054 1.085 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.303 17.773 0.868 1.00 0.00 H new ATOM 0 HB VAL A 51 0.737 16.185 3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.389 17.892 4.618 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.909 18.593 3.622 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.792 18.802 3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.642 15.917 3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.095 16.744 2.317 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.254 15.177 2.254 1.00 0.00 H new ATOM 745 N VAL A 52 2.798 17.187 1.908 1.00 0.00 N ATOM 746 CA VAL A 52 4.134 17.765 1.996 1.00 0.00 C ATOM 747 C VAL A 52 4.582 18.320 0.649 1.00 0.00 C ATOM 748 O VAL A 52 5.359 19.273 0.585 1.00 0.00 O ATOM 749 CB VAL A 52 5.164 16.727 2.479 1.00 0.00 C ATOM 750 CG1 VAL A 52 6.573 17.291 2.390 1.00 0.00 C ATOM 751 CG2 VAL A 52 4.847 16.284 3.900 1.00 0.00 C ATOM 0 H VAL A 52 2.721 16.243 2.286 1.00 0.00 H new ATOM 0 HA VAL A 52 4.080 18.577 2.721 1.00 0.00 H new ATOM 0 HB VAL A 52 5.106 15.854 1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.287 16.543 2.736 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.795 17.554 1.356 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.649 18.181 3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.585 15.550 4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.876 17.147 4.565 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.853 15.837 3.929 1.00 0.00 H new ATOM 761 N LYS A 53 4.087 17.719 -0.427 1.00 0.00 N ATOM 762 CA LYS A 53 4.434 18.153 -1.775 1.00 0.00 C ATOM 763 C LYS A 53 3.861 19.537 -2.065 1.00 0.00 C ATOM 764 O LYS A 53 4.599 20.519 -2.152 1.00 0.00 O ATOM 765 CB LYS A 53 3.915 17.148 -2.806 1.00 0.00 C ATOM 766 CG LYS A 53 4.333 17.468 -4.231 1.00 0.00 C ATOM 767 CD LYS A 53 5.712 16.911 -4.546 1.00 0.00 C ATOM 768 CE LYS A 53 6.399 17.711 -5.642 1.00 0.00 C ATOM 769 NZ LYS A 53 6.077 17.184 -6.997 1.00 0.00 N ATOM 0 H LYS A 53 3.443 16.929 -0.392 1.00 0.00 H new ATOM 0 HA LYS A 53 5.520 18.207 -1.844 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.276 16.153 -2.545 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.827 17.116 -2.754 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.604 17.053 -4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.334 18.548 -4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.326 16.925 -3.645 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.623 15.870 -4.855 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.093 18.755 -5.576 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.478 17.685 -5.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.564 17.756 -7.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.392 16.195 -7.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.050 17.232 -7.153 1.00 0.00 H new ATOM 783 N TYR A 54 2.543 19.607 -2.212 1.00 0.00 N ATOM 784 CA TYR A 54 1.872 20.871 -2.493 1.00 0.00 C ATOM 785 C TYR A 54 1.442 21.559 -1.201 1.00 0.00 C ATOM 786 O TYR A 54 1.842 22.689 -0.925 1.00 0.00 O ATOM 787 CB TYR A 54 0.654 20.637 -3.389 1.00 0.00 C ATOM 788 CG TYR A 54 0.992 19.993 -4.714 1.00 0.00 C ATOM 789 CD1 TYR A 54 1.203 18.623 -4.809 1.00 0.00 C ATOM 790 CD2 TYR A 54 1.100 20.754 -5.872 1.00 0.00 C ATOM 791 CE1 TYR A 54 1.513 18.030 -6.018 1.00 0.00 C ATOM 792 CE2 TYR A 54 1.408 20.169 -7.085 1.00 0.00 C ATOM 793 CZ TYR A 54 1.613 18.807 -7.153 1.00 0.00 C ATOM 794 OH TYR A 54 1.922 18.221 -8.359 1.00 0.00 O ATOM 0 H TYR A 54 1.918 18.804 -2.141 1.00 0.00 H new ATOM 0 HA TYR A 54 2.577 21.520 -3.011 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.060 20.006 -2.860 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.161 21.591 -3.574 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.123 18.011 -3.923 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.940 21.821 -5.823 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.676 16.964 -6.074 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.488 20.775 -7.975 1.00 0.00 H new ATOM 0 HH TYR A 54 1.953 18.907 -9.058 1.00 0.00 H new ATOM 804 N GLU A 55 0.625 20.867 -0.413 1.00 0.00 N ATOM 805 CA GLU A 55 0.141 21.411 0.850 1.00 0.00 C ATOM 806 C GLU A 55 1.203 21.286 1.939 1.00 0.00 C ATOM 807 O GLU A 55 0.908 20.888 3.066 1.00 0.00 O ATOM 808 CB GLU A 55 -1.137 20.690 1.285 1.00 0.00 C ATOM 809 CG GLU A 55 -2.332 20.980 0.392 1.00 0.00 C ATOM 810 CD GLU A 55 -2.930 22.350 0.644 1.00 0.00 C ATOM 811 OE1 GLU A 55 -3.112 22.709 1.826 1.00 0.00 O ATOM 812 OE2 GLU A 55 -3.216 23.064 -0.341 1.00 0.00 O ATOM 0 H GLU A 55 0.285 19.929 -0.627 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.079 22.468 0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.953 19.616 1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.379 20.981 2.307 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.027 20.907 -0.652 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.095 20.219 0.555 1.00 0.00 H new ATOM 819 N ALA A 56 2.440 21.629 1.593 1.00 0.00 N ATOM 820 CA ALA A 56 3.545 21.557 2.540 1.00 0.00 C ATOM 821 C ALA A 56 3.253 22.381 3.789 1.00 0.00 C ATOM 822 O ALA A 56 2.233 23.066 3.866 1.00 0.00 O ATOM 823 CB ALA A 56 4.834 22.030 1.884 1.00 0.00 C ATOM 0 H ALA A 56 2.701 21.959 0.664 1.00 0.00 H new ATOM 0 HA ALA A 56 3.664 20.517 2.842 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.651 21.971 2.603 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.059 21.397 1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.716 23.062 1.553 1.00 0.00 H new ATOM 829 N GLN A 57 4.152 22.308 4.765 1.00 0.00 N ATOM 830 CA GLN A 57 3.988 23.047 6.011 1.00 0.00 C ATOM 831 C GLN A 57 5.337 23.293 6.680 1.00 0.00 C ATOM 832 O GLN A 57 6.353 22.726 6.279 1.00 0.00 O ATOM 833 CB GLN A 57 3.066 22.284 6.963 1.00 0.00 C ATOM 834 CG GLN A 57 1.588 22.477 6.663 1.00 0.00 C ATOM 835 CD GLN A 57 0.694 21.913 7.750 1.00 0.00 C ATOM 836 OE1 GLN A 57 0.636 22.443 8.859 1.00 0.00 O ATOM 837 NE2 GLN A 57 -0.011 20.832 7.435 1.00 0.00 N ATOM 0 H GLN A 57 5.001 21.745 4.717 1.00 0.00 H new ATOM 0 HA GLN A 57 3.538 24.012 5.775 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.303 21.221 6.911 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.266 22.606 7.985 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.381 23.540 6.543 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.348 21.997 5.715 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.068 20.425 6.503 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.631 20.409 8.125 1.00 0.00 H new ATOM 846 N GLY A 58 5.339 24.143 7.702 1.00 0.00 N ATOM 847 CA GLY A 58 6.569 24.450 8.409 1.00 0.00 C ATOM 848 C GLY A 58 7.502 23.258 8.493 1.00 0.00 C ATOM 849 O GLY A 58 7.053 22.114 8.560 1.00 0.00 O ATOM 0 H GLY A 58 4.511 24.625 8.053 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.079 25.272 7.906 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.330 24.792 9.416 1.00 0.00 H new ATOM 853 N ASP A 59 8.803 23.526 8.488 1.00 0.00 N ATOM 854 CA ASP A 59 9.802 22.467 8.564 1.00 0.00 C ATOM 855 C ASP A 59 9.396 21.409 9.585 1.00 0.00 C ATOM 856 O ASP A 59 9.234 20.236 9.249 1.00 0.00 O ATOM 857 CB ASP A 59 11.168 23.050 8.931 1.00 0.00 C ATOM 858 CG ASP A 59 11.466 24.337 8.188 1.00 0.00 C ATOM 859 OD1 ASP A 59 11.439 24.322 6.939 1.00 0.00 O ATOM 860 OD2 ASP A 59 11.727 25.360 8.855 1.00 0.00 O ATOM 0 H ASP A 59 9.190 24.468 8.432 1.00 0.00 H new ATOM 0 HA ASP A 59 9.869 21.994 7.584 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.204 23.237 10.004 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.944 22.318 8.709 1.00 0.00 H new ATOM 865 N LYS A 60 9.233 21.831 10.835 1.00 0.00 N ATOM 866 CA LYS A 60 8.846 20.922 11.906 1.00 0.00 C ATOM 867 C LYS A 60 7.688 20.030 11.471 1.00 0.00 C ATOM 868 O LYS A 60 7.673 18.833 11.755 1.00 0.00 O ATOM 869 CB LYS A 60 8.453 21.711 13.157 1.00 0.00 C ATOM 870 CG LYS A 60 8.719 20.968 14.454 1.00 0.00 C ATOM 871 CD LYS A 60 7.702 19.862 14.681 1.00 0.00 C ATOM 872 CE LYS A 60 7.519 19.569 16.163 1.00 0.00 C ATOM 873 NZ LYS A 60 8.485 18.545 16.649 1.00 0.00 N ATOM 0 H LYS A 60 9.363 22.798 11.131 1.00 0.00 H new ATOM 0 HA LYS A 60 9.703 20.289 12.137 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.001 22.653 13.169 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.393 21.959 13.101 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.722 20.542 14.431 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.689 21.668 15.289 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.746 20.151 14.245 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.026 18.957 14.167 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.647 20.489 16.734 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.501 19.222 16.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.328 18.373 17.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.346 17.659 16.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.456 18.887 16.502 1.00 0.00 H new ATOM 887 N ALA A 61 6.720 20.621 10.778 1.00 0.00 N ATOM 888 CA ALA A 61 5.560 19.879 10.300 1.00 0.00 C ATOM 889 C ALA A 61 5.962 18.843 9.256 1.00 0.00 C ATOM 890 O ALA A 61 5.486 17.708 9.276 1.00 0.00 O ATOM 891 CB ALA A 61 4.522 20.833 9.728 1.00 0.00 C ATOM 0 H ALA A 61 6.716 21.612 10.535 1.00 0.00 H new ATOM 0 HA ALA A 61 5.124 19.351 11.148 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.661 20.265 9.375 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.203 21.531 10.502 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.957 21.388 8.896 1.00 0.00 H new ATOM 897 N LYS A 62 6.842 19.242 8.343 1.00 0.00 N ATOM 898 CA LYS A 62 7.310 18.349 7.289 1.00 0.00 C ATOM 899 C LYS A 62 7.875 17.061 7.879 1.00 0.00 C ATOM 900 O LYS A 62 7.267 15.997 7.764 1.00 0.00 O ATOM 901 CB LYS A 62 8.375 19.045 6.439 1.00 0.00 C ATOM 902 CG LYS A 62 7.804 19.840 5.278 1.00 0.00 C ATOM 903 CD LYS A 62 8.684 21.028 4.929 1.00 0.00 C ATOM 904 CE LYS A 62 8.105 21.831 3.775 1.00 0.00 C ATOM 905 NZ LYS A 62 9.164 22.545 3.009 1.00 0.00 N ATOM 0 H LYS A 62 7.245 20.178 8.312 1.00 0.00 H new ATOM 0 HA LYS A 62 6.459 18.095 6.657 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.956 19.713 7.075 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.065 18.295 6.051 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.703 19.192 4.407 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.803 20.190 5.533 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.792 21.671 5.803 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.682 20.678 4.665 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.560 21.165 3.106 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.386 22.554 4.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.728 23.081 2.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.668 23.200 3.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.836 21.854 2.619 1.00 0.00 H new ATOM 919 N GLN A 63 9.040 17.166 8.511 1.00 0.00 N ATOM 920 CA GLN A 63 9.685 16.009 9.119 1.00 0.00 C ATOM 921 C GLN A 63 8.687 15.194 9.934 1.00 0.00 C ATOM 922 O GLN A 63 8.680 13.964 9.876 1.00 0.00 O ATOM 923 CB GLN A 63 10.845 16.456 10.011 1.00 0.00 C ATOM 924 CG GLN A 63 10.423 17.381 11.140 1.00 0.00 C ATOM 925 CD GLN A 63 11.538 17.636 12.134 1.00 0.00 C ATOM 926 OE1 GLN A 63 12.633 18.057 11.761 1.00 0.00 O ATOM 927 NE2 GLN A 63 11.265 17.381 13.409 1.00 0.00 N ATOM 0 H GLN A 63 9.556 18.040 8.615 1.00 0.00 H new ATOM 0 HA GLN A 63 10.072 15.379 8.318 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.326 15.575 10.435 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.590 16.962 9.397 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.091 18.331 10.721 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.570 16.946 11.661 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.343 17.033 13.673 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.977 17.533 14.123 1.00 0.00 H new ATOM 936 N SER A 64 7.844 15.887 10.693 1.00 0.00 N ATOM 937 CA SER A 64 6.843 15.227 11.523 1.00 0.00 C ATOM 938 C SER A 64 6.050 14.208 10.711 1.00 0.00 C ATOM 939 O SER A 64 5.858 13.070 11.140 1.00 0.00 O ATOM 940 CB SER A 64 5.894 16.261 12.133 1.00 0.00 C ATOM 941 OG SER A 64 6.383 16.730 13.377 1.00 0.00 O ATOM 0 H SER A 64 7.834 16.905 10.750 1.00 0.00 H new ATOM 0 HA SER A 64 7.361 14.702 12.325 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.774 17.099 11.446 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.908 15.818 12.270 1.00 0.00 H new ATOM 0 HG SER A 64 6.997 17.479 13.226 1.00 0.00 H new ATOM 947 N ILE A 65 5.591 14.626 9.536 1.00 0.00 N ATOM 948 CA ILE A 65 4.820 13.750 8.663 1.00 0.00 C ATOM 949 C ILE A 65 5.691 12.637 8.091 1.00 0.00 C ATOM 950 O ILE A 65 5.304 11.469 8.093 1.00 0.00 O ATOM 951 CB ILE A 65 4.181 14.534 7.501 1.00 0.00 C ATOM 952 CG1 ILE A 65 3.057 15.433 8.021 1.00 0.00 C ATOM 953 CG2 ILE A 65 3.654 13.577 6.442 1.00 0.00 C ATOM 954 CD1 ILE A 65 2.615 16.485 7.028 1.00 0.00 C ATOM 0 H ILE A 65 5.740 15.565 9.167 1.00 0.00 H new ATOM 0 HA ILE A 65 4.030 13.312 9.274 1.00 0.00 H new ATOM 0 HB ILE A 65 4.944 15.165 7.045 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.201 14.813 8.286 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.390 15.925 8.935 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.206 14.146 5.628 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.476 12.975 6.054 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.902 12.923 6.884 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.816 17.085 7.465 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.459 17.129 6.781 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.251 16.000 6.122 1.00 0.00 H new ATOM 966 N ARG A 66 6.871 13.008 7.603 1.00 0.00 N ATOM 967 CA ARG A 66 7.798 12.041 7.029 1.00 0.00 C ATOM 968 C ARG A 66 8.049 10.887 7.995 1.00 0.00 C ATOM 969 O ARG A 66 7.807 9.726 7.668 1.00 0.00 O ATOM 970 CB ARG A 66 9.122 12.721 6.674 1.00 0.00 C ATOM 971 CG ARG A 66 9.071 13.518 5.382 1.00 0.00 C ATOM 972 CD ARG A 66 8.656 14.960 5.633 1.00 0.00 C ATOM 973 NE ARG A 66 9.230 15.874 4.649 1.00 0.00 N ATOM 974 CZ ARG A 66 10.499 16.266 4.663 1.00 0.00 C ATOM 975 NH1 ARG A 66 11.322 15.826 5.604 1.00 0.00 N ATOM 976 NH2 ARG A 66 10.948 17.100 3.733 1.00 0.00 N ATOM 0 H ARG A 66 7.207 13.971 7.594 1.00 0.00 H new ATOM 0 HA ARG A 66 7.348 11.639 6.121 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.409 13.385 7.489 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.900 11.962 6.592 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.049 13.498 4.902 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.368 13.051 4.692 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.569 15.034 5.606 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.971 15.259 6.633 1.00 0.00 H new ATOM 0 HE ARG A 66 8.623 16.231 3.911 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.981 15.184 6.320 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.296 16.129 5.612 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.318 17.441 3.006 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.923 17.400 3.745 1.00 0.00 H new ATOM 990 N ALA A 67 8.536 11.216 9.187 1.00 0.00 N ATOM 991 CA ALA A 67 8.818 10.208 10.202 1.00 0.00 C ATOM 992 C ALA A 67 7.763 9.107 10.190 1.00 0.00 C ATOM 993 O ALA A 67 8.089 7.920 10.176 1.00 0.00 O ATOM 994 CB ALA A 67 8.895 10.852 11.578 1.00 0.00 C ATOM 0 H ALA A 67 8.743 12.173 9.474 1.00 0.00 H new ATOM 0 HA ALA A 67 9.782 9.755 9.970 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.106 10.088 12.326 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.690 11.598 11.587 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.944 11.333 11.809 1.00 0.00 H new ATOM 1000 N LYS A 68 6.496 9.508 10.196 1.00 0.00 N ATOM 1001 CA LYS A 68 5.392 8.555 10.185 1.00 0.00 C ATOM 1002 C LYS A 68 5.413 7.713 8.914 1.00 0.00 C ATOM 1003 O LYS A 68 5.211 6.498 8.960 1.00 0.00 O ATOM 1004 CB LYS A 68 4.055 9.292 10.299 1.00 0.00 C ATOM 1005 CG LYS A 68 3.593 9.494 11.732 1.00 0.00 C ATOM 1006 CD LYS A 68 4.548 10.389 12.505 1.00 0.00 C ATOM 1007 CE LYS A 68 5.647 9.581 13.178 1.00 0.00 C ATOM 1008 NZ LYS A 68 6.310 10.348 14.268 1.00 0.00 N ATOM 0 H LYS A 68 6.208 10.486 10.208 1.00 0.00 H new ATOM 0 HA LYS A 68 5.509 7.891 11.042 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.143 10.264 9.814 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.294 8.732 9.756 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.596 9.935 11.735 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.515 8.527 12.230 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.993 11.118 11.828 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.994 10.950 13.258 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.225 8.662 13.585 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.390 9.289 12.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.053 9.763 14.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.735 11.212 13.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.606 10.605 14.989 1.00 0.00 H new ATOM 1022 N CYS A 69 5.659 8.363 7.782 1.00 0.00 N ATOM 1023 CA CYS A 69 5.707 7.673 6.498 1.00 0.00 C ATOM 1024 C CYS A 69 6.689 6.507 6.544 1.00 0.00 C ATOM 1025 O CYS A 69 6.379 5.401 6.098 1.00 0.00 O ATOM 1026 CB CYS A 69 6.104 8.646 5.387 1.00 0.00 C ATOM 1027 SG CYS A 69 5.067 10.125 5.296 1.00 0.00 S ATOM 0 H CYS A 69 5.828 9.367 7.727 1.00 0.00 H new ATOM 0 HA CYS A 69 4.713 7.279 6.288 1.00 0.00 H new ATOM 0 HB2 CYS A 69 7.140 8.950 5.538 1.00 0.00 H new ATOM 0 HB3 CYS A 69 6.061 8.126 4.430 1.00 0.00 H new ATOM 0 HG CYS A 69 5.089 10.741 6.440 1.00 0.00 H new ATOM 1033 N THR A 70 7.876 6.760 7.086 1.00 0.00 N ATOM 1034 CA THR A 70 8.905 5.733 7.188 1.00 0.00 C ATOM 1035 C THR A 70 8.473 4.614 8.127 1.00 0.00 C ATOM 1036 O THR A 70 8.665 3.435 7.832 1.00 0.00 O ATOM 1037 CB THR A 70 10.238 6.321 7.687 1.00 0.00 C ATOM 1038 OG1 THR A 70 10.741 7.269 6.739 1.00 0.00 O ATOM 1039 CG2 THR A 70 11.266 5.222 7.906 1.00 0.00 C ATOM 0 H THR A 70 8.149 7.668 7.461 1.00 0.00 H new ATOM 0 HA THR A 70 9.048 5.328 6.186 1.00 0.00 H new ATOM 0 HB THR A 70 10.055 6.821 8.638 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.588 7.639 7.065 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.199 5.662 8.258 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.893 4.518 8.650 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.444 4.698 6.967 1.00 0.00 H new ATOM 1047 N GLU A 71 7.888 4.991 9.260 1.00 0.00 N ATOM 1048 CA GLU A 71 7.429 4.017 10.243 1.00 0.00 C ATOM 1049 C GLU A 71 6.364 3.102 9.646 1.00 0.00 C ATOM 1050 O GLU A 71 6.548 1.887 9.565 1.00 0.00 O ATOM 1051 CB GLU A 71 6.872 4.728 11.478 1.00 0.00 C ATOM 1052 CG GLU A 71 6.311 3.781 12.525 1.00 0.00 C ATOM 1053 CD GLU A 71 7.230 2.607 12.801 1.00 0.00 C ATOM 1054 OE1 GLU A 71 8.442 2.835 12.995 1.00 0.00 O ATOM 1055 OE2 GLU A 71 6.737 1.459 12.823 1.00 0.00 O ATOM 0 H GLU A 71 7.721 5.963 9.519 1.00 0.00 H new ATOM 0 HA GLU A 71 8.283 3.408 10.538 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.663 5.327 11.929 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.087 5.418 11.167 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.140 4.329 13.451 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.342 3.409 12.191 1.00 0.00 H new ATOM 1062 N TYR A 72 5.250 3.694 9.231 1.00 0.00 N ATOM 1063 CA TYR A 72 4.153 2.933 8.644 1.00 0.00 C ATOM 1064 C TYR A 72 4.643 2.083 7.476 1.00 0.00 C ATOM 1065 O TYR A 72 4.211 0.943 7.298 1.00 0.00 O ATOM 1066 CB TYR A 72 3.045 3.876 8.173 1.00 0.00 C ATOM 1067 CG TYR A 72 2.456 4.720 9.281 1.00 0.00 C ATOM 1068 CD1 TYR A 72 2.156 4.165 10.519 1.00 0.00 C ATOM 1069 CD2 TYR A 72 2.198 6.072 9.089 1.00 0.00 C ATOM 1070 CE1 TYR A 72 1.617 4.931 11.534 1.00 0.00 C ATOM 1071 CE2 TYR A 72 1.661 6.846 10.099 1.00 0.00 C ATOM 1072 CZ TYR A 72 1.372 6.272 11.319 1.00 0.00 C ATOM 1073 OH TYR A 72 0.835 7.039 12.327 1.00 0.00 O ATOM 0 H TYR A 72 5.082 4.698 9.290 1.00 0.00 H new ATOM 0 HA TYR A 72 3.754 2.269 9.411 1.00 0.00 H new ATOM 0 HB2 TYR A 72 3.443 4.533 7.400 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.250 3.288 7.714 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.348 3.116 10.691 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.421 6.525 8.134 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.389 4.483 12.490 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.468 7.896 9.934 1.00 0.00 H new ATOM 0 HH TYR A 72 0.726 7.961 12.014 1.00 0.00 H new ATOM 1083 N LEU A 73 5.549 2.645 6.683 1.00 0.00 N ATOM 1084 CA LEU A 73 6.100 1.939 5.532 1.00 0.00 C ATOM 1085 C LEU A 73 6.826 0.670 5.967 1.00 0.00 C ATOM 1086 O LEU A 73 6.534 -0.422 5.479 1.00 0.00 O ATOM 1087 CB LEU A 73 7.059 2.850 4.762 1.00 0.00 C ATOM 1088 CG LEU A 73 6.411 3.845 3.799 1.00 0.00 C ATOM 1089 CD1 LEU A 73 7.375 4.975 3.470 1.00 0.00 C ATOM 1090 CD2 LEU A 73 5.960 3.140 2.527 1.00 0.00 C ATOM 0 H LEU A 73 5.917 3.587 6.816 1.00 0.00 H new ATOM 0 HA LEU A 73 5.273 1.657 4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.655 3.409 5.483 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.748 2.223 4.196 1.00 0.00 H new ATOM 0 HG LEU A 73 5.534 4.272 4.285 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.896 5.673 2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.649 5.498 4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.271 4.565 3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.501 3.864 1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.821 2.685 2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.234 2.366 2.778 1.00 0.00 H new ATOM 1102 N ASP A 74 7.770 0.821 6.888 1.00 0.00 N ATOM 1103 CA ASP A 74 8.536 -0.313 7.392 1.00 0.00 C ATOM 1104 C ASP A 74 7.608 -1.405 7.916 1.00 0.00 C ATOM 1105 O ASP A 74 7.636 -2.539 7.438 1.00 0.00 O ATOM 1106 CB ASP A 74 9.488 0.138 8.500 1.00 0.00 C ATOM 1107 CG ASP A 74 10.647 -0.820 8.693 1.00 0.00 C ATOM 1108 OD1 ASP A 74 10.415 -1.937 9.200 1.00 0.00 O ATOM 1109 OD2 ASP A 74 11.787 -0.453 8.338 1.00 0.00 O ATOM 0 H ASP A 74 8.024 1.718 7.302 1.00 0.00 H new ATOM 0 HA ASP A 74 9.119 -0.721 6.567 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.875 1.129 8.261 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.936 0.228 9.435 1.00 0.00 H new ATOM 1114 N ARG A 75 6.787 -1.054 8.901 1.00 0.00 N ATOM 1115 CA ARG A 75 5.852 -2.005 9.491 1.00 0.00 C ATOM 1116 C ARG A 75 5.172 -2.841 8.411 1.00 0.00 C ATOM 1117 O ARG A 75 5.049 -4.058 8.540 1.00 0.00 O ATOM 1118 CB ARG A 75 4.799 -1.268 10.320 1.00 0.00 C ATOM 1119 CG ARG A 75 3.667 -2.162 10.800 1.00 0.00 C ATOM 1120 CD ARG A 75 4.166 -3.220 11.772 1.00 0.00 C ATOM 1121 NE ARG A 75 3.142 -3.600 12.742 1.00 0.00 N ATOM 1122 CZ ARG A 75 3.408 -4.213 13.889 1.00 0.00 C ATOM 1123 NH1 ARG A 75 4.659 -4.515 14.210 1.00 0.00 N ATOM 1124 NH2 ARG A 75 2.422 -4.527 14.720 1.00 0.00 N ATOM 0 H ARG A 75 6.750 -0.119 9.307 1.00 0.00 H new ATOM 0 HA ARG A 75 6.415 -2.674 10.142 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.283 -0.813 11.184 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.382 -0.456 9.724 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.902 -1.554 11.283 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.196 -2.646 9.944 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.483 -4.102 11.216 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.042 -2.843 12.299 1.00 0.00 H new ATOM 0 HE ARG A 75 2.169 -3.382 12.526 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.420 -4.276 13.575 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.860 -4.986 15.092 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.458 -4.297 14.478 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.628 -4.998 15.601 1.00 0.00 H new ATOM 1138 N ALA A 76 4.732 -2.178 7.347 1.00 0.00 N ATOM 1139 CA ALA A 76 4.066 -2.860 6.244 1.00 0.00 C ATOM 1140 C ALA A 76 5.009 -3.839 5.554 1.00 0.00 C ATOM 1141 O ALA A 76 4.650 -4.989 5.304 1.00 0.00 O ATOM 1142 CB ALA A 76 3.530 -1.847 5.243 1.00 0.00 C ATOM 0 H ALA A 76 4.825 -1.170 7.225 1.00 0.00 H new ATOM 0 HA ALA A 76 3.230 -3.428 6.653 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.035 -2.371 4.425 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.815 -1.190 5.738 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.355 -1.254 4.848 1.00 0.00 H new ATOM 1148 N GLU A 77 6.217 -3.375 5.248 1.00 0.00 N ATOM 1149 CA GLU A 77 7.211 -4.211 4.585 1.00 0.00 C ATOM 1150 C GLU A 77 7.199 -5.626 5.156 1.00 0.00 C ATOM 1151 O GLU A 77 7.358 -6.604 4.425 1.00 0.00 O ATOM 1152 CB GLU A 77 8.606 -3.600 4.735 1.00 0.00 C ATOM 1153 CG GLU A 77 8.784 -2.297 3.975 1.00 0.00 C ATOM 1154 CD GLU A 77 10.191 -1.743 4.089 1.00 0.00 C ATOM 1155 OE1 GLU A 77 11.133 -2.545 4.261 1.00 0.00 O ATOM 1156 OE2 GLU A 77 10.350 -0.507 4.007 1.00 0.00 O ATOM 0 H GLU A 77 6.531 -2.425 5.449 1.00 0.00 H new ATOM 0 HA GLU A 77 6.957 -4.263 3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.805 -3.424 5.792 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.348 -4.319 4.386 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.545 -2.458 2.924 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.076 -1.560 4.354 1.00 0.00 H new ATOM 1163 N LYS A 78 7.012 -5.727 6.468 1.00 0.00 N ATOM 1164 CA LYS A 78 6.978 -7.021 7.139 1.00 0.00 C ATOM 1165 C LYS A 78 5.668 -7.748 6.855 1.00 0.00 C ATOM 1166 O LYS A 78 5.664 -8.927 6.498 1.00 0.00 O ATOM 1167 CB LYS A 78 7.157 -6.841 8.648 1.00 0.00 C ATOM 1168 CG LYS A 78 8.486 -6.214 9.032 1.00 0.00 C ATOM 1169 CD LYS A 78 9.619 -7.224 8.967 1.00 0.00 C ATOM 1170 CE LYS A 78 9.681 -8.075 10.226 1.00 0.00 C ATOM 1171 NZ LYS A 78 10.186 -7.301 11.394 1.00 0.00 N ATOM 0 H LYS A 78 6.882 -4.927 7.088 1.00 0.00 H new ATOM 0 HA LYS A 78 7.799 -7.624 6.751 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.347 -6.219 9.030 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.069 -7.813 9.134 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.702 -5.380 8.364 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.419 -5.806 10.040 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.484 -7.868 8.098 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.566 -6.702 8.833 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.688 -8.465 10.450 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.329 -8.934 10.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.454 -7.957 12.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.016 -6.744 11.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.440 -6.661 11.735 1.00 0.00 H new ATOM 1185 N LEU A 79 4.556 -7.038 7.014 1.00 0.00 N ATOM 1186 CA LEU A 79 3.238 -7.615 6.773 1.00 0.00 C ATOM 1187 C LEU A 79 3.186 -8.304 5.413 1.00 0.00 C ATOM 1188 O LEU A 79 2.354 -9.181 5.181 1.00 0.00 O ATOM 1189 CB LEU A 79 2.163 -6.530 6.850 1.00 0.00 C ATOM 1190 CG LEU A 79 1.898 -5.944 8.237 1.00 0.00 C ATOM 1191 CD1 LEU A 79 1.095 -4.657 8.129 1.00 0.00 C ATOM 1192 CD2 LEU A 79 1.174 -6.955 9.114 1.00 0.00 C ATOM 0 H LEU A 79 4.541 -6.062 7.309 1.00 0.00 H new ATOM 0 HA LEU A 79 3.048 -8.361 7.545 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.448 -5.717 6.182 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.230 -6.944 6.468 1.00 0.00 H new ATOM 0 HG LEU A 79 2.857 -5.711 8.701 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.916 -4.255 9.126 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.652 -3.929 7.539 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.141 -4.863 7.645 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.994 -6.521 10.097 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.222 -7.220 8.654 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.787 -7.850 9.220 1.00 0.00 H new ATOM 1204 N LYS A 80 4.081 -7.902 4.517 1.00 0.00 N ATOM 1205 CA LYS A 80 4.141 -8.481 3.181 1.00 0.00 C ATOM 1206 C LYS A 80 4.937 -9.783 3.187 1.00 0.00 C ATOM 1207 O LYS A 80 4.591 -10.735 2.488 1.00 0.00 O ATOM 1208 CB LYS A 80 4.771 -7.490 2.200 1.00 0.00 C ATOM 1209 CG LYS A 80 4.133 -6.112 2.233 1.00 0.00 C ATOM 1210 CD LYS A 80 4.978 -5.088 1.494 1.00 0.00 C ATOM 1211 CE LYS A 80 4.657 -3.671 1.944 1.00 0.00 C ATOM 1212 NZ LYS A 80 5.800 -2.745 1.714 1.00 0.00 N ATOM 0 H LYS A 80 4.776 -7.176 4.693 1.00 0.00 H new ATOM 0 HA LYS A 80 3.122 -8.700 2.862 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.833 -7.395 2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.694 -7.893 1.190 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.141 -6.159 1.784 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.000 -5.796 3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.034 -5.295 1.665 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.805 -5.178 0.422 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.781 -3.308 1.406 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.400 -3.675 3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.984 -2.199 2.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.647 -3.294 1.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.568 -2.094 0.937 1.00 0.00 H new ATOM 1226 N GLU A 81 6.002 -9.815 3.981 1.00 0.00 N ATOM 1227 CA GLU A 81 6.846 -11.001 4.078 1.00 0.00 C ATOM 1228 C GLU A 81 6.205 -12.053 4.978 1.00 0.00 C ATOM 1229 O GLU A 81 6.643 -13.203 5.017 1.00 0.00 O ATOM 1230 CB GLU A 81 8.229 -10.627 4.616 1.00 0.00 C ATOM 1231 CG GLU A 81 8.288 -10.536 6.131 1.00 0.00 C ATOM 1232 CD GLU A 81 9.707 -10.428 6.654 1.00 0.00 C ATOM 1233 OE1 GLU A 81 10.257 -9.307 6.648 1.00 0.00 O ATOM 1234 OE2 GLU A 81 10.268 -11.464 7.068 1.00 0.00 O ATOM 0 H GLU A 81 6.301 -9.035 4.566 1.00 0.00 H new ATOM 0 HA GLU A 81 6.955 -11.421 3.078 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.954 -11.367 4.276 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.528 -9.669 4.191 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.716 -9.669 6.462 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.812 -11.416 6.563 1.00 0.00 H new ATOM 1241 N TYR A 82 5.166 -11.650 5.702 1.00 0.00 N ATOM 1242 CA TYR A 82 4.466 -12.556 6.605 1.00 0.00 C ATOM 1243 C TYR A 82 3.235 -13.154 5.930 1.00 0.00 C ATOM 1244 O TYR A 82 2.960 -14.348 6.059 1.00 0.00 O ATOM 1245 CB TYR A 82 4.055 -11.821 7.881 1.00 0.00 C ATOM 1246 CG TYR A 82 2.822 -12.395 8.541 1.00 0.00 C ATOM 1247 CD1 TYR A 82 1.550 -11.989 8.155 1.00 0.00 C ATOM 1248 CD2 TYR A 82 2.928 -13.346 9.549 1.00 0.00 C ATOM 1249 CE1 TYR A 82 0.421 -12.511 8.756 1.00 0.00 C ATOM 1250 CE2 TYR A 82 1.804 -13.874 10.154 1.00 0.00 C ATOM 1251 CZ TYR A 82 0.553 -13.453 9.754 1.00 0.00 C ATOM 1252 OH TYR A 82 -0.570 -13.977 10.354 1.00 0.00 O ATOM 0 H TYR A 82 4.790 -10.702 5.681 1.00 0.00 H new ATOM 0 HA TYR A 82 5.146 -13.367 6.864 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.883 -11.850 8.590 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.875 -10.772 7.644 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.442 -11.253 7.372 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.906 -13.678 9.865 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -0.560 -12.183 8.446 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.904 -14.612 10.936 1.00 0.00 H new ATOM 0 HH TYR A 82 -0.303 -14.628 11.036 1.00 0.00 H new ATOM 1262 N LEU A 83 2.498 -12.316 5.210 1.00 0.00 N ATOM 1263 CA LEU A 83 1.296 -12.760 4.513 1.00 0.00 C ATOM 1264 C LEU A 83 1.649 -13.691 3.357 1.00 0.00 C ATOM 1265 O LEU A 83 1.071 -14.768 3.214 1.00 0.00 O ATOM 1266 CB LEU A 83 0.511 -11.556 3.991 1.00 0.00 C ATOM 1267 CG LEU A 83 -0.349 -10.819 5.019 1.00 0.00 C ATOM 1268 CD1 LEU A 83 -0.819 -9.484 4.463 1.00 0.00 C ATOM 1269 CD2 LEU A 83 -1.538 -11.675 5.431 1.00 0.00 C ATOM 0 H LEU A 83 2.711 -11.325 5.093 1.00 0.00 H new ATOM 0 HA LEU A 83 0.677 -13.310 5.222 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.217 -10.846 3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.135 -11.893 3.180 1.00 0.00 H new ATOM 0 HG LEU A 83 0.259 -10.627 5.903 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.429 -8.974 5.208 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.046 -8.867 4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.411 -9.653 3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.139 -11.135 6.163 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.147 -11.898 4.555 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.181 -12.606 5.871 1.00 0.00 H new ATOM 1281 N LYS A 84 2.603 -13.268 2.534 1.00 0.00 N ATOM 1282 CA LYS A 84 3.037 -14.064 1.392 1.00 0.00 C ATOM 1283 C LYS A 84 3.460 -15.462 1.832 1.00 0.00 C ATOM 1284 O LYS A 84 3.285 -16.433 1.098 1.00 0.00 O ATOM 1285 CB LYS A 84 4.197 -13.371 0.673 1.00 0.00 C ATOM 1286 CG LYS A 84 5.543 -13.584 1.345 1.00 0.00 C ATOM 1287 CD LYS A 84 6.552 -12.531 0.917 1.00 0.00 C ATOM 1288 CE LYS A 84 6.735 -12.515 -0.593 1.00 0.00 C ATOM 1289 NZ LYS A 84 7.289 -13.802 -1.098 1.00 0.00 N ATOM 0 H LYS A 84 3.090 -12.378 2.637 1.00 0.00 H new ATOM 0 HA LYS A 84 2.196 -14.158 0.705 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.250 -13.738 -0.352 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.993 -12.302 0.618 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.419 -13.552 2.428 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.922 -14.575 1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.220 -11.549 1.255 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.510 -12.727 1.399 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.776 -12.319 -1.073 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.403 -11.699 -0.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.526 -13.706 -2.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.147 -14.045 -0.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.582 -14.555 -0.979 1.00 0.00 H new