USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 667 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0.00356 USER MOD Single : A 46 MET CE :methyl 146:sc= -5.18! (180deg=-10.6!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 51 MET CE :methyl -179:sc= -1.56 (180deg=-1.57) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -3.32! K(o=-3.3!,f=-1.4) USER MOD Single : A 63 LYS NZ :NH3+ 150:sc= -0.101 (180deg=-0.677) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 8:sc= -0.991 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -1.94 X(o=-1.9,f=-2.2!) USER MOD Single : A 82 ASN : amide:sc= -6.03! C(o=-6!,f=-2.3!) USER MOD Single : A 84 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0233) USER MOD Single : A 86 LYS NZ :NH3+ -177:sc= 2.26 (180deg=1.94) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -2 X(o=-2,f=-2) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 142 N GLU A 10 -8.807 -0.619 -12.100 1.00 0.00 N ATOM 143 CA GLU A 10 -8.143 -1.909 -12.064 1.00 0.00 C ATOM 144 C GLU A 10 -9.135 -3.071 -12.164 1.00 0.00 C ATOM 145 O GLU A 10 -10.220 -3.032 -11.588 1.00 0.00 O ATOM 146 CB GLU A 10 -7.273 -2.027 -10.808 1.00 0.00 C ATOM 147 CG GLU A 10 -7.927 -1.519 -9.529 1.00 0.00 C ATOM 148 CD GLU A 10 -9.299 -2.116 -9.286 1.00 0.00 C ATOM 149 OE1 GLU A 10 -9.391 -3.353 -9.142 1.00 0.00 O ATOM 150 OE2 GLU A 10 -10.280 -1.347 -9.237 1.00 0.00 O ATOM 0 HA GLU A 10 -7.497 -1.973 -12.940 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.000 -3.073 -10.669 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.348 -1.475 -10.971 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.282 -1.750 -8.681 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.013 -0.434 -9.578 1.00 0.00 H new ATOM 157 N LYS A 11 -8.747 -4.100 -12.920 1.00 0.00 N ATOM 158 CA LYS A 11 -9.594 -5.278 -13.121 1.00 0.00 C ATOM 159 C LYS A 11 -9.775 -6.052 -11.815 1.00 0.00 C ATOM 160 O LYS A 11 -9.627 -5.497 -10.727 1.00 0.00 O ATOM 161 CB LYS A 11 -8.990 -6.202 -14.187 1.00 0.00 C ATOM 162 CG LYS A 11 -8.402 -5.475 -15.386 1.00 0.00 C ATOM 163 CD LYS A 11 -9.398 -4.521 -16.017 1.00 0.00 C ATOM 164 CE LYS A 11 -9.827 -4.994 -17.400 1.00 0.00 C ATOM 165 NZ LYS A 11 -9.663 -3.930 -18.428 1.00 0.00 N ATOM 0 H LYS A 11 -7.850 -4.142 -13.404 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.570 -4.930 -13.460 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.210 -6.808 -13.726 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.762 -6.888 -14.536 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.516 -4.921 -15.075 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.078 -6.204 -16.129 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.274 -4.431 -15.375 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.954 -3.528 -16.092 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.238 -5.866 -17.684 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.870 -5.310 -17.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.966 -4.293 -19.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.244 -3.107 -18.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.664 -3.646 -18.477 1.00 0.00 H new ATOM 179 N ASP A 12 -10.096 -7.339 -11.933 1.00 0.00 N ATOM 180 CA ASP A 12 -10.295 -8.188 -10.766 1.00 0.00 C ATOM 181 C ASP A 12 -9.484 -9.476 -10.878 1.00 0.00 C ATOM 182 O ASP A 12 -9.777 -10.464 -10.207 1.00 0.00 O ATOM 183 CB ASP A 12 -11.778 -8.518 -10.603 1.00 0.00 C ATOM 184 CG ASP A 12 -12.395 -9.047 -11.883 1.00 0.00 C ATOM 185 OD1 ASP A 12 -12.636 -8.239 -12.805 1.00 0.00 O ATOM 186 OD2 ASP A 12 -12.632 -10.271 -11.966 1.00 0.00 O ATOM 0 H ASP A 12 -10.223 -7.814 -12.826 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.949 -7.642 -9.888 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.898 -9.258 -9.812 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.314 -7.623 -10.287 1.00 0.00 H new ATOM 191 N GLY A 13 -8.464 -9.458 -11.729 1.00 0.00 N ATOM 192 CA GLY A 13 -7.629 -10.631 -11.915 1.00 0.00 C ATOM 193 C GLY A 13 -6.254 -10.474 -11.295 1.00 0.00 C ATOM 194 O GLY A 13 -6.070 -9.681 -10.373 1.00 0.00 O ATOM 0 H GLY A 13 -8.200 -8.651 -12.294 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.124 -11.498 -11.477 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.522 -10.830 -12.981 1.00 0.00 H new ATOM 198 N ALA A 14 -5.289 -11.241 -11.794 1.00 0.00 N ATOM 199 CA ALA A 14 -3.924 -11.194 -11.279 1.00 0.00 C ATOM 200 C ALA A 14 -3.231 -9.878 -11.622 1.00 0.00 C ATOM 201 O ALA A 14 -3.842 -8.964 -12.177 1.00 0.00 O ATOM 202 CB ALA A 14 -3.119 -12.369 -11.816 1.00 0.00 C ATOM 0 H ALA A 14 -5.428 -11.904 -12.556 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.980 -11.262 -10.193 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.103 -12.323 -11.425 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.586 -13.303 -11.504 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.091 -12.324 -12.905 1.00 0.00 H new ATOM 208 N VAL A 15 -1.934 -9.814 -11.327 1.00 0.00 N ATOM 209 CA VAL A 15 -1.125 -8.640 -11.644 1.00 0.00 C ATOM 210 C VAL A 15 -0.968 -8.481 -13.154 1.00 0.00 C ATOM 211 O VAL A 15 -1.003 -9.469 -13.888 1.00 0.00 O ATOM 212 CB VAL A 15 0.267 -8.727 -10.993 1.00 0.00 C ATOM 213 CG1 VAL A 15 1.006 -9.969 -11.464 1.00 0.00 C ATOM 214 CG2 VAL A 15 1.086 -7.475 -11.265 1.00 0.00 C ATOM 0 H VAL A 15 -1.420 -10.565 -10.867 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.646 -7.771 -11.243 1.00 0.00 H new ATOM 0 HB VAL A 15 0.125 -8.801 -9.915 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.987 -10.010 -10.991 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.435 -10.857 -11.192 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.126 -9.932 -12.547 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.063 -7.569 -10.791 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.215 -7.351 -12.340 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.568 -6.606 -10.859 1.00 0.00 H new ATOM 224 N GLU A 16 -0.759 -7.254 -13.618 1.00 0.00 N ATOM 225 CA GLU A 16 -0.559 -7.003 -15.038 1.00 0.00 C ATOM 226 C GLU A 16 0.607 -6.042 -15.243 1.00 0.00 C ATOM 227 O GLU A 16 1.012 -5.342 -14.315 1.00 0.00 O ATOM 228 CB GLU A 16 -1.822 -6.432 -15.690 1.00 0.00 C ATOM 229 CG GLU A 16 -2.066 -4.956 -15.400 1.00 0.00 C ATOM 230 CD GLU A 16 -2.586 -4.196 -16.608 1.00 0.00 C ATOM 231 OE1 GLU A 16 -2.613 -4.778 -17.713 1.00 0.00 O ATOM 232 OE2 GLU A 16 -2.969 -3.019 -16.446 1.00 0.00 O ATOM 0 H GLU A 16 -0.724 -6.420 -13.032 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.333 -7.957 -15.515 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.755 -6.572 -16.769 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.684 -7.005 -15.348 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.782 -4.865 -14.583 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.136 -4.499 -15.061 1.00 0.00 H new ATOM 239 N ALA A 17 1.151 -6.046 -16.456 1.00 0.00 N ATOM 240 CA ALA A 17 2.299 -5.201 -16.803 1.00 0.00 C ATOM 241 C ALA A 17 2.437 -4.008 -15.850 1.00 0.00 C ATOM 242 O ALA A 17 3.362 -3.966 -15.039 1.00 0.00 O ATOM 243 CB ALA A 17 2.178 -4.716 -18.241 1.00 0.00 C ATOM 0 H ALA A 17 0.815 -6.628 -17.223 1.00 0.00 H new ATOM 0 HA ALA A 17 3.199 -5.808 -16.702 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.036 -4.090 -18.487 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.150 -5.574 -18.913 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.262 -4.137 -18.354 1.00 0.00 H new ATOM 249 N GLU A 18 1.531 -3.039 -15.951 1.00 0.00 N ATOM 250 CA GLU A 18 1.593 -1.857 -15.088 1.00 0.00 C ATOM 251 C GLU A 18 0.347 -1.734 -14.210 1.00 0.00 C ATOM 252 O GLU A 18 -0.461 -0.821 -14.383 1.00 0.00 O ATOM 253 CB GLU A 18 1.761 -0.593 -15.933 1.00 0.00 C ATOM 254 CG GLU A 18 0.719 -0.445 -17.030 1.00 0.00 C ATOM 255 CD GLU A 18 1.021 0.710 -17.963 1.00 0.00 C ATOM 256 OE1 GLU A 18 1.007 1.869 -17.496 1.00 0.00 O ATOM 257 OE2 GLU A 18 1.274 0.457 -19.159 1.00 0.00 O ATOM 0 H GLU A 18 0.754 -3.045 -16.612 1.00 0.00 H new ATOM 0 HA GLU A 18 2.456 -1.972 -14.433 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.714 0.278 -15.280 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.753 -0.599 -16.385 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.668 -1.369 -17.605 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.262 -0.296 -16.578 1.00 0.00 H new ATOM 264 N ASP A 19 0.194 -2.667 -13.268 1.00 0.00 N ATOM 265 CA ASP A 19 -0.963 -2.668 -12.368 1.00 0.00 C ATOM 266 C ASP A 19 -0.627 -2.094 -10.987 1.00 0.00 C ATOM 267 O ASP A 19 0.429 -1.494 -10.790 1.00 0.00 O ATOM 268 CB ASP A 19 -1.527 -4.085 -12.244 1.00 0.00 C ATOM 269 CG ASP A 19 -0.991 -4.863 -11.054 1.00 0.00 C ATOM 270 OD1 ASP A 19 0.165 -4.626 -10.660 1.00 0.00 O ATOM 271 OD2 ASP A 19 -1.731 -5.713 -10.518 1.00 0.00 O ATOM 0 H ASP A 19 0.853 -3.429 -13.108 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.720 -2.016 -12.803 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.613 -4.027 -12.168 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.301 -4.636 -13.157 1.00 0.00 H new ATOM 276 N ARG A 20 -1.542 -2.298 -10.031 1.00 0.00 N ATOM 277 CA ARG A 20 -1.358 -1.822 -8.665 1.00 0.00 C ATOM 278 C ARG A 20 -1.980 -2.799 -7.670 1.00 0.00 C ATOM 279 O ARG A 20 -3.195 -2.993 -7.655 1.00 0.00 O ATOM 280 CB ARG A 20 -1.985 -0.440 -8.489 1.00 0.00 C ATOM 281 CG ARG A 20 -1.116 0.533 -7.712 1.00 0.00 C ATOM 282 CD ARG A 20 -0.833 1.801 -8.498 1.00 0.00 C ATOM 283 NE ARG A 20 -0.221 2.828 -7.655 1.00 0.00 N ATOM 284 CZ ARG A 20 -0.039 4.090 -8.032 1.00 0.00 C ATOM 285 NH1 ARG A 20 -0.469 4.503 -9.216 1.00 0.00 N ATOM 286 NH2 ARG A 20 0.564 4.946 -7.217 1.00 0.00 N ATOM 0 H ARG A 20 -2.420 -2.793 -10.186 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.287 -1.752 -8.472 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.196 -0.019 -9.472 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.941 -0.548 -7.977 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.610 0.791 -6.775 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.174 0.050 -7.453 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.171 1.573 -9.333 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.762 2.183 -8.922 1.00 0.00 H new ATOM 0 HE ARG A 20 0.085 2.559 -6.720 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.942 3.852 -9.842 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.327 5.472 -9.501 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.888 4.636 -6.301 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.703 5.914 -7.507 1.00 0.00 H new ATOM 300 N VAL A 21 -1.142 -3.399 -6.832 1.00 0.00 N ATOM 301 CA VAL A 21 -1.599 -4.342 -5.815 1.00 0.00 C ATOM 302 C VAL A 21 -1.835 -3.654 -4.470 1.00 0.00 C ATOM 303 O VAL A 21 -1.467 -2.494 -4.284 1.00 0.00 O ATOM 304 CB VAL A 21 -0.571 -5.468 -5.619 1.00 0.00 C ATOM 305 CG1 VAL A 21 -0.349 -6.232 -6.913 1.00 0.00 C ATOM 306 CG2 VAL A 21 0.740 -4.900 -5.112 1.00 0.00 C ATOM 0 H VAL A 21 -0.133 -3.248 -6.837 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.543 -4.756 -6.169 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.965 -6.163 -4.877 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.382 -7.023 -6.748 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.291 -6.671 -7.242 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.021 -5.550 -7.679 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.459 -5.708 -4.978 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.130 -4.184 -5.835 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.575 -4.399 -4.158 1.00 0.00 H new ATOM 316 N THR A 22 -2.404 -4.394 -3.518 1.00 0.00 N ATOM 317 CA THR A 22 -2.634 -3.879 -2.174 1.00 0.00 C ATOM 318 C THR A 22 -1.899 -4.765 -1.181 1.00 0.00 C ATOM 319 O THR A 22 -2.216 -5.947 -1.049 1.00 0.00 O ATOM 320 CB THR A 22 -4.126 -3.849 -1.844 1.00 0.00 C ATOM 321 OG1 THR A 22 -4.824 -3.018 -2.754 1.00 0.00 O ATOM 322 CG2 THR A 22 -4.414 -3.346 -0.446 1.00 0.00 C ATOM 0 H THR A 22 -2.714 -5.356 -3.657 1.00 0.00 H new ATOM 0 HA THR A 22 -2.260 -2.857 -2.115 1.00 0.00 H new ATOM 0 HB THR A 22 -4.463 -4.883 -1.919 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.777 -3.013 -2.527 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.490 -3.349 -0.273 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.928 -3.996 0.282 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.032 -2.331 -0.339 1.00 0.00 H new ATOM 330 N ILE A 23 -0.884 -4.221 -0.522 1.00 0.00 N ATOM 331 CA ILE A 23 -0.095 -5.017 0.408 1.00 0.00 C ATOM 332 C ILE A 23 0.059 -4.369 1.783 1.00 0.00 C ATOM 333 O ILE A 23 0.078 -3.146 1.920 1.00 0.00 O ATOM 334 CB ILE A 23 1.308 -5.282 -0.165 1.00 0.00 C ATOM 335 CG1 ILE A 23 1.983 -3.971 -0.548 1.00 0.00 C ATOM 336 CG2 ILE A 23 1.234 -6.199 -1.371 1.00 0.00 C ATOM 337 CD1 ILE A 23 3.490 -4.046 -0.522 1.00 0.00 C ATOM 0 H ILE A 23 -0.591 -3.248 -0.612 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.645 -5.949 0.538 1.00 0.00 H new ATOM 0 HB ILE A 23 1.901 -5.772 0.607 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.658 -3.681 -1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.653 -3.188 0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.238 -6.372 -1.759 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.789 -7.150 -1.078 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.621 -5.735 -2.144 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.907 -3.080 -0.805 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.824 -4.306 0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.829 -4.807 -1.225 1.00 0.00 H new ATOM 349 N ASP A 24 0.206 -5.225 2.791 1.00 0.00 N ATOM 350 CA ASP A 24 0.406 -4.798 4.175 1.00 0.00 C ATOM 351 C ASP A 24 1.779 -5.283 4.634 1.00 0.00 C ATOM 352 O ASP A 24 2.070 -6.476 4.546 1.00 0.00 O ATOM 353 CB ASP A 24 -0.679 -5.385 5.091 1.00 0.00 C ATOM 354 CG ASP A 24 -1.895 -5.880 4.330 1.00 0.00 C ATOM 355 OD1 ASP A 24 -1.741 -6.810 3.511 1.00 0.00 O ATOM 356 OD2 ASP A 24 -2.997 -5.338 4.554 1.00 0.00 O ATOM 0 H ASP A 24 0.190 -6.238 2.672 1.00 0.00 H new ATOM 0 HA ASP A 24 0.344 -3.711 4.230 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.255 -6.210 5.664 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.991 -4.626 5.808 1.00 0.00 H new ATOM 361 N PHE A 25 2.637 -4.377 5.095 1.00 0.00 N ATOM 362 CA PHE A 25 3.973 -4.781 5.519 1.00 0.00 C ATOM 363 C PHE A 25 4.460 -4.030 6.746 1.00 0.00 C ATOM 364 O PHE A 25 3.901 -3.010 7.138 1.00 0.00 O ATOM 365 CB PHE A 25 4.968 -4.590 4.373 1.00 0.00 C ATOM 366 CG PHE A 25 5.300 -3.153 4.068 1.00 0.00 C ATOM 367 CD1 PHE A 25 6.100 -2.406 4.926 1.00 0.00 C ATOM 368 CD2 PHE A 25 4.810 -2.548 2.923 1.00 0.00 C ATOM 369 CE1 PHE A 25 6.403 -1.085 4.640 1.00 0.00 C ATOM 370 CE2 PHE A 25 5.108 -1.230 2.640 1.00 0.00 C ATOM 371 CZ PHE A 25 5.903 -0.500 3.493 1.00 0.00 C ATOM 0 H PHE A 25 2.438 -3.381 5.183 1.00 0.00 H new ATOM 0 HA PHE A 25 3.908 -5.834 5.792 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.889 -5.119 4.617 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.562 -5.055 3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.489 -2.861 5.825 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.188 -3.113 2.244 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.028 -0.515 5.311 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.715 -0.770 1.745 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.136 0.530 3.266 1.00 0.00 H new ATOM 381 N THR A 26 5.521 -4.560 7.343 1.00 0.00 N ATOM 382 CA THR A 26 6.124 -3.963 8.534 1.00 0.00 C ATOM 383 C THR A 26 7.619 -4.271 8.598 1.00 0.00 C ATOM 384 O THR A 26 8.015 -5.429 8.721 1.00 0.00 O ATOM 385 CB THR A 26 5.428 -4.484 9.794 1.00 0.00 C ATOM 386 OG1 THR A 26 4.023 -4.342 9.687 1.00 0.00 O ATOM 387 CG2 THR A 26 5.867 -3.777 11.057 1.00 0.00 C ATOM 0 H THR A 26 5.986 -5.409 7.020 1.00 0.00 H new ATOM 0 HA THR A 26 5.997 -2.882 8.477 1.00 0.00 H new ATOM 0 HB THR A 26 5.714 -5.533 9.868 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.597 -4.682 10.501 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.335 -4.195 11.912 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.940 -3.912 11.196 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.643 -2.713 10.975 1.00 0.00 H new ATOM 395 N GLY A 27 8.452 -3.231 8.509 1.00 0.00 N ATOM 396 CA GLY A 27 9.892 -3.438 8.555 1.00 0.00 C ATOM 397 C GLY A 27 10.674 -2.182 8.888 1.00 0.00 C ATOM 398 O GLY A 27 10.119 -1.089 8.962 1.00 0.00 O ATOM 0 H GLY A 27 8.158 -2.260 8.407 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.117 -4.204 9.297 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.227 -3.820 7.591 1.00 0.00 H new ATOM 402 N SER A 28 11.974 -2.355 9.099 1.00 0.00 N ATOM 403 CA SER A 28 12.866 -1.247 9.435 1.00 0.00 C ATOM 404 C SER A 28 13.823 -0.931 8.293 1.00 0.00 C ATOM 405 O SER A 28 13.894 -1.663 7.307 1.00 0.00 O ATOM 406 CB SER A 28 13.676 -1.599 10.683 1.00 0.00 C ATOM 407 OG SER A 28 13.005 -2.565 11.472 1.00 0.00 O ATOM 0 H SER A 28 12.439 -3.261 9.043 1.00 0.00 H new ATOM 0 HA SER A 28 12.249 -0.368 9.619 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.654 -1.981 10.390 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.849 -0.699 11.274 1.00 0.00 H new ATOM 0 HG SER A 28 13.545 -2.774 12.263 1.00 0.00 H new ATOM 413 N VAL A 29 14.579 0.152 8.460 1.00 0.00 N ATOM 414 CA VAL A 29 15.565 0.577 7.473 1.00 0.00 C ATOM 415 C VAL A 29 16.982 0.412 8.025 1.00 0.00 C ATOM 416 O VAL A 29 17.711 -0.487 7.606 1.00 0.00 O ATOM 417 CB VAL A 29 15.319 2.037 6.996 1.00 0.00 C ATOM 418 CG1 VAL A 29 15.034 2.977 8.160 1.00 0.00 C ATOM 419 CG2 VAL A 29 16.491 2.553 6.166 1.00 0.00 C ATOM 0 H VAL A 29 14.525 0.756 9.280 1.00 0.00 H new ATOM 0 HA VAL A 29 15.455 -0.067 6.600 1.00 0.00 H new ATOM 0 HB VAL A 29 14.432 2.017 6.363 1.00 0.00 H new ATOM 0 HG11 VAL A 29 14.868 3.986 7.781 1.00 0.00 H new ATOM 0 HG12 VAL A 29 14.145 2.639 8.692 1.00 0.00 H new ATOM 0 HG13 VAL A 29 15.885 2.981 8.841 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.289 3.576 5.847 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.400 2.533 6.768 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.623 1.919 5.289 1.00 0.00 H new ATOM 429 N ASP A 30 17.363 1.258 8.975 1.00 0.00 N ATOM 430 CA ASP A 30 18.683 1.167 9.585 1.00 0.00 C ATOM 431 C ASP A 30 18.607 0.365 10.880 1.00 0.00 C ATOM 432 O ASP A 30 19.310 0.659 11.847 1.00 0.00 O ATOM 433 CB ASP A 30 19.243 2.566 9.858 1.00 0.00 C ATOM 434 CG ASP A 30 20.613 2.769 9.241 1.00 0.00 C ATOM 435 OD1 ASP A 30 20.865 2.205 8.155 1.00 0.00 O ATOM 436 OD2 ASP A 30 21.434 3.492 9.844 1.00 0.00 O ATOM 0 H ASP A 30 16.779 2.011 9.338 1.00 0.00 H new ATOM 0 HA ASP A 30 19.353 0.656 8.894 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.555 3.314 9.463 1.00 0.00 H new ATOM 0 HB3 ASP A 30 19.305 2.726 10.934 1.00 0.00 H new ATOM 441 N GLY A 31 17.734 -0.640 10.895 1.00 0.00 N ATOM 442 CA GLY A 31 17.563 -1.459 12.080 1.00 0.00 C ATOM 443 C GLY A 31 16.391 -0.999 12.927 1.00 0.00 C ATOM 444 O GLY A 31 15.967 -1.699 13.846 1.00 0.00 O ATOM 0 H GLY A 31 17.142 -0.900 10.106 1.00 0.00 H new ATOM 0 HA2 GLY A 31 17.411 -2.497 11.784 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.475 -1.428 12.676 1.00 0.00 H new ATOM 448 N GLU A 32 15.860 0.182 12.612 1.00 0.00 N ATOM 449 CA GLU A 32 14.728 0.736 13.344 1.00 0.00 C ATOM 450 C GLU A 32 13.667 1.250 12.374 1.00 0.00 C ATOM 451 O GLU A 32 13.927 2.139 11.565 1.00 0.00 O ATOM 452 CB GLU A 32 15.194 1.859 14.270 1.00 0.00 C ATOM 453 CG GLU A 32 16.393 1.479 15.122 1.00 0.00 C ATOM 454 CD GLU A 32 17.166 2.685 15.616 1.00 0.00 C ATOM 455 OE1 GLU A 32 17.604 3.496 14.774 1.00 0.00 O ATOM 456 OE2 GLU A 32 17.335 2.819 16.847 1.00 0.00 O ATOM 0 H GLU A 32 16.199 0.773 11.852 1.00 0.00 H new ATOM 0 HA GLU A 32 14.286 -0.054 13.951 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.446 2.734 13.670 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.370 2.147 14.923 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.055 0.894 15.977 1.00 0.00 H new ATOM 0 HG3 GLU A 32 17.058 0.839 14.541 1.00 0.00 H new ATOM 463 N GLU A 33 12.475 0.666 12.454 1.00 0.00 N ATOM 464 CA GLU A 33 11.374 1.035 11.582 1.00 0.00 C ATOM 465 C GLU A 33 11.066 2.512 11.696 1.00 0.00 C ATOM 466 O GLU A 33 10.725 3.014 12.768 1.00 0.00 O ATOM 467 CB GLU A 33 10.134 0.203 11.917 1.00 0.00 C ATOM 468 CG GLU A 33 9.685 0.328 13.363 1.00 0.00 C ATOM 469 CD GLU A 33 9.943 -0.932 14.165 1.00 0.00 C ATOM 470 OE1 GLU A 33 9.643 -2.032 13.656 1.00 0.00 O ATOM 471 OE2 GLU A 33 10.446 -0.817 15.303 1.00 0.00 O ATOM 0 H GLU A 33 12.250 -0.071 13.122 1.00 0.00 H new ATOM 0 HA GLU A 33 11.668 0.830 10.553 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.316 0.508 11.264 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.341 -0.845 11.700 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.205 1.164 13.830 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.620 0.560 13.390 1.00 0.00 H new ATOM 478 N PHE A 34 11.220 3.210 10.582 1.00 0.00 N ATOM 479 CA PHE A 34 10.996 4.654 10.521 1.00 0.00 C ATOM 480 C PHE A 34 9.520 5.005 10.345 1.00 0.00 C ATOM 481 O PHE A 34 8.658 4.446 11.023 1.00 0.00 O ATOM 482 CB PHE A 34 11.871 5.257 9.397 1.00 0.00 C ATOM 483 CG PHE A 34 11.434 4.944 7.979 1.00 0.00 C ATOM 484 CD1 PHE A 34 11.149 3.646 7.576 1.00 0.00 C ATOM 485 CD2 PHE A 34 11.320 5.965 7.045 1.00 0.00 C ATOM 486 CE1 PHE A 34 10.759 3.378 6.276 1.00 0.00 C ATOM 487 CE2 PHE A 34 10.930 5.701 5.747 1.00 0.00 C ATOM 488 CZ PHE A 34 10.649 4.409 5.362 1.00 0.00 C ATOM 0 H PHE A 34 11.503 2.797 9.694 1.00 0.00 H new ATOM 0 HA PHE A 34 11.291 5.092 11.474 1.00 0.00 H new ATOM 0 HB2 PHE A 34 11.891 6.340 9.520 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.893 4.902 9.529 1.00 0.00 H new ATOM 0 HD1 PHE A 34 11.233 2.836 8.286 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.540 6.981 7.338 1.00 0.00 H new ATOM 0 HE1 PHE A 34 10.541 2.364 5.976 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.845 6.508 5.034 1.00 0.00 H new ATOM 0 HZ PHE A 34 10.343 4.202 4.347 1.00 0.00 H new ATOM 498 N GLU A 35 9.236 5.912 9.432 1.00 0.00 N ATOM 499 CA GLU A 35 7.867 6.329 9.147 1.00 0.00 C ATOM 500 C GLU A 35 7.091 5.207 8.463 1.00 0.00 C ATOM 501 O GLU A 35 6.034 4.790 8.933 1.00 0.00 O ATOM 502 CB GLU A 35 7.865 7.572 8.253 1.00 0.00 C ATOM 503 CG GLU A 35 7.905 8.881 9.022 1.00 0.00 C ATOM 504 CD GLU A 35 6.881 9.883 8.524 1.00 0.00 C ATOM 505 OE1 GLU A 35 7.007 10.338 7.369 1.00 0.00 O ATOM 506 OE2 GLU A 35 5.951 10.210 9.291 1.00 0.00 O ATOM 0 H GLU A 35 9.941 6.383 8.865 1.00 0.00 H new ATOM 0 HA GLU A 35 7.382 6.566 10.094 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.724 7.528 7.584 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.973 7.556 7.627 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.729 8.682 10.079 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.902 9.315 8.941 1.00 0.00 H new ATOM 513 N GLY A 36 7.632 4.720 7.345 1.00 0.00 N ATOM 514 CA GLY A 36 6.987 3.649 6.607 1.00 0.00 C ATOM 515 C GLY A 36 7.281 2.280 7.187 1.00 0.00 C ATOM 516 O GLY A 36 7.029 1.262 6.545 1.00 0.00 O ATOM 0 H GLY A 36 8.507 5.051 6.939 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.910 3.814 6.603 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.318 3.678 5.569 1.00 0.00 H new ATOM 520 N GLY A 37 7.819 2.251 8.402 1.00 0.00 N ATOM 521 CA GLY A 37 8.139 0.996 9.042 1.00 0.00 C ATOM 522 C GLY A 37 6.941 0.076 9.200 1.00 0.00 C ATOM 523 O GLY A 37 7.102 -1.101 9.524 1.00 0.00 O ATOM 0 H GLY A 37 8.038 3.080 8.954 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.906 0.485 8.460 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.566 1.196 10.025 1.00 0.00 H new ATOM 527 N LYS A 38 5.742 0.599 8.966 1.00 0.00 N ATOM 528 CA LYS A 38 4.532 -0.204 9.080 1.00 0.00 C ATOM 529 C LYS A 38 3.465 0.272 8.103 1.00 0.00 C ATOM 530 O LYS A 38 3.052 1.432 8.127 1.00 0.00 O ATOM 531 CB LYS A 38 3.991 -0.163 10.511 1.00 0.00 C ATOM 532 CG LYS A 38 3.737 1.242 11.026 1.00 0.00 C ATOM 533 CD LYS A 38 2.447 1.317 11.832 1.00 0.00 C ATOM 534 CE LYS A 38 1.628 2.543 11.464 1.00 0.00 C ATOM 535 NZ LYS A 38 0.177 2.227 11.356 1.00 0.00 N ATOM 0 H LYS A 38 5.583 1.570 8.698 1.00 0.00 H new ATOM 0 HA LYS A 38 4.790 -1.233 8.831 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.061 -0.730 10.555 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.700 -0.661 11.173 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.574 1.560 11.647 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.683 1.934 10.186 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.856 0.418 11.658 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.683 1.342 12.896 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.776 3.318 12.216 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.984 2.946 10.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.348 3.089 11.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.033 1.506 10.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.168 1.866 12.268 1.00 0.00 H new ATOM 549 N ALA A 39 3.019 -0.640 7.252 1.00 0.00 N ATOM 550 CA ALA A 39 1.992 -0.342 6.267 1.00 0.00 C ATOM 551 C ALA A 39 0.941 -1.438 6.256 1.00 0.00 C ATOM 552 O ALA A 39 1.257 -2.617 6.415 1.00 0.00 O ATOM 553 CB ALA A 39 2.600 -0.185 4.881 1.00 0.00 C ATOM 0 H ALA A 39 3.357 -1.602 7.225 1.00 0.00 H new ATOM 0 HA ALA A 39 1.518 0.600 6.542 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.812 0.037 4.161 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.323 0.630 4.891 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.101 -1.110 4.596 1.00 0.00 H new ATOM 559 N SER A 40 -0.309 -1.049 6.068 1.00 0.00 N ATOM 560 CA SER A 40 -1.401 -2.007 6.040 1.00 0.00 C ATOM 561 C SER A 40 -2.019 -2.082 4.652 1.00 0.00 C ATOM 562 O SER A 40 -2.001 -3.131 4.008 1.00 0.00 O ATOM 563 CB SER A 40 -2.467 -1.634 7.072 1.00 0.00 C ATOM 564 OG SER A 40 -2.421 -0.252 7.376 1.00 0.00 O ATOM 0 H SER A 40 -0.592 -0.079 5.933 1.00 0.00 H new ATOM 0 HA SER A 40 -0.997 -2.988 6.291 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.454 -1.893 6.689 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.316 -2.215 7.982 1.00 0.00 H new ATOM 0 HG SER A 40 -3.113 -0.039 8.036 1.00 0.00 H new ATOM 570 N ASP A 41 -2.512 -0.950 4.172 1.00 0.00 N ATOM 571 CA ASP A 41 -3.074 -0.845 2.842 1.00 0.00 C ATOM 572 C ASP A 41 -2.060 -0.159 1.943 1.00 0.00 C ATOM 573 O ASP A 41 -2.255 0.988 1.544 1.00 0.00 O ATOM 574 CB ASP A 41 -4.384 -0.051 2.868 1.00 0.00 C ATOM 575 CG ASP A 41 -5.453 -0.725 3.706 1.00 0.00 C ATOM 576 OD1 ASP A 41 -5.712 -1.925 3.482 1.00 0.00 O ATOM 577 OD2 ASP A 41 -6.030 -0.051 4.585 1.00 0.00 O ATOM 0 H ASP A 41 -2.532 -0.077 4.700 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.297 -1.841 2.460 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.193 0.947 3.262 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.750 0.074 1.849 1.00 0.00 H new ATOM 582 N PHE A 42 -0.983 -0.849 1.620 1.00 0.00 N ATOM 583 CA PHE A 42 0.041 -0.268 0.760 1.00 0.00 C ATOM 584 C PHE A 42 -0.257 -0.588 -0.694 1.00 0.00 C ATOM 585 O PHE A 42 -0.133 -1.731 -1.132 1.00 0.00 O ATOM 586 CB PHE A 42 1.436 -0.771 1.141 1.00 0.00 C ATOM 587 CG PHE A 42 2.552 0.011 0.498 1.00 0.00 C ATOM 588 CD1 PHE A 42 2.520 1.396 0.481 1.00 0.00 C ATOM 589 CD2 PHE A 42 3.630 -0.634 -0.091 1.00 0.00 C ATOM 590 CE1 PHE A 42 3.540 2.121 -0.107 1.00 0.00 C ATOM 591 CE2 PHE A 42 4.651 0.085 -0.680 1.00 0.00 C ATOM 592 CZ PHE A 42 4.606 1.465 -0.690 1.00 0.00 C ATOM 0 H PHE A 42 -0.792 -1.801 1.933 1.00 0.00 H new ATOM 0 HA PHE A 42 0.027 0.813 0.897 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.547 -0.724 2.224 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.526 -1.819 0.856 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.688 1.916 0.933 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.671 -1.713 -0.089 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.503 3.200 -0.110 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.484 -0.432 -1.133 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.402 2.030 -1.152 1.00 0.00 H new ATOM 602 N VAL A 43 -0.655 0.433 -1.437 1.00 0.00 N ATOM 603 CA VAL A 43 -0.981 0.275 -2.841 1.00 0.00 C ATOM 604 C VAL A 43 0.277 0.357 -3.701 1.00 0.00 C ATOM 605 O VAL A 43 0.756 1.446 -4.018 1.00 0.00 O ATOM 606 CB VAL A 43 -1.994 1.349 -3.279 1.00 0.00 C ATOM 607 CG1 VAL A 43 -2.419 1.137 -4.718 1.00 0.00 C ATOM 608 CG2 VAL A 43 -3.203 1.344 -2.351 1.00 0.00 C ATOM 0 H VAL A 43 -0.760 1.385 -1.086 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.429 -0.709 -2.979 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.511 2.324 -3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.134 1.908 -5.003 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.546 1.194 -5.368 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.883 0.156 -4.820 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.911 2.108 -2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.684 0.366 -2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.880 1.554 -1.331 1.00 0.00 H new ATOM 618 N LEU A 44 0.814 -0.806 -4.058 1.00 0.00 N ATOM 619 CA LEU A 44 2.028 -0.878 -4.864 1.00 0.00 C ATOM 620 C LEU A 44 1.704 -0.893 -6.349 1.00 0.00 C ATOM 621 O LEU A 44 0.838 -1.642 -6.796 1.00 0.00 O ATOM 622 CB LEU A 44 2.831 -2.124 -4.496 1.00 0.00 C ATOM 623 CG LEU A 44 4.295 -1.866 -4.143 1.00 0.00 C ATOM 624 CD1 LEU A 44 5.040 -3.177 -3.990 1.00 0.00 C ATOM 625 CD2 LEU A 44 4.963 -0.998 -5.201 1.00 0.00 C ATOM 0 H LEU A 44 0.426 -1.714 -3.801 1.00 0.00 H new ATOM 0 HA LEU A 44 2.623 0.011 -4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.349 -2.612 -3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.792 -2.823 -5.331 1.00 0.00 H new ATOM 0 HG LEU A 44 4.327 -1.332 -3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.081 -2.976 -3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.582 -3.765 -3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.993 -3.733 -4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.004 -0.828 -4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.919 -1.502 -6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.445 -0.041 -5.267 1.00 0.00 H new ATOM 637 N ALA A 45 2.418 -0.065 -7.106 1.00 0.00 N ATOM 638 CA ALA A 45 2.221 0.028 -8.549 1.00 0.00 C ATOM 639 C ALA A 45 3.227 -0.836 -9.305 1.00 0.00 C ATOM 640 O ALA A 45 4.396 -0.470 -9.427 1.00 0.00 O ATOM 641 CB ALA A 45 2.349 1.472 -9.005 1.00 0.00 C ATOM 0 H ALA A 45 3.142 0.554 -6.742 1.00 0.00 H new ATOM 0 HA ALA A 45 1.218 -0.338 -8.770 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.200 1.528 -10.083 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.597 2.080 -8.503 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.342 1.845 -8.756 1.00 0.00 H new ATOM 647 N MET A 46 2.771 -1.972 -9.821 1.00 0.00 N ATOM 648 CA MET A 46 3.645 -2.863 -10.573 1.00 0.00 C ATOM 649 C MET A 46 4.018 -2.245 -11.912 1.00 0.00 C ATOM 650 O MET A 46 3.415 -2.558 -12.939 1.00 0.00 O ATOM 651 CB MET A 46 2.968 -4.212 -10.790 1.00 0.00 C ATOM 652 CG MET A 46 3.630 -5.347 -10.035 1.00 0.00 C ATOM 653 SD MET A 46 5.051 -6.028 -10.908 1.00 0.00 S ATOM 654 CE MET A 46 6.024 -6.619 -9.528 1.00 0.00 C ATOM 0 H MET A 46 1.808 -2.296 -9.733 1.00 0.00 H new ATOM 0 HA MET A 46 4.557 -3.015 -9.995 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.925 -4.140 -10.482 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.970 -4.444 -11.855 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.948 -4.990 -9.056 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.900 -6.139 -9.864 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.556 -7.524 -9.819 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.743 -5.854 -9.235 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.366 -6.840 -8.687 1.00 0.00 H new ATOM 664 N GLY A 47 5.015 -1.369 -11.881 1.00 0.00 N ATOM 665 CA GLY A 47 5.469 -0.705 -13.090 1.00 0.00 C ATOM 666 C GLY A 47 5.015 0.739 -13.169 1.00 0.00 C ATOM 667 O GLY A 47 4.185 1.093 -14.007 1.00 0.00 O ATOM 0 H GLY A 47 5.520 -1.105 -11.035 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.557 -0.742 -13.133 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.096 -1.247 -13.959 1.00 0.00 H new ATOM 671 N GLN A 48 5.567 1.574 -12.297 1.00 0.00 N ATOM 672 CA GLN A 48 5.226 2.992 -12.267 1.00 0.00 C ATOM 673 C GLN A 48 6.487 3.840 -12.403 1.00 0.00 C ATOM 674 O GLN A 48 6.713 4.475 -13.434 1.00 0.00 O ATOM 675 CB GLN A 48 4.495 3.335 -10.968 1.00 0.00 C ATOM 676 CG GLN A 48 3.394 4.367 -11.142 1.00 0.00 C ATOM 677 CD GLN A 48 3.412 5.425 -10.057 1.00 0.00 C ATOM 678 OE1 GLN A 48 2.961 5.190 -8.936 1.00 0.00 O ATOM 679 NE2 GLN A 48 3.936 6.602 -10.383 1.00 0.00 N ATOM 0 H GLN A 48 6.255 1.293 -11.599 1.00 0.00 H new ATOM 0 HA GLN A 48 4.565 3.210 -13.106 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.065 2.424 -10.552 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.218 3.707 -10.242 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.501 4.847 -12.115 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.426 3.865 -11.139 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.299 6.756 -11.324 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.975 7.352 -9.692 1.00 0.00 H new ATOM 688 N GLY A 49 7.310 3.830 -11.362 1.00 0.00 N ATOM 689 CA GLY A 49 8.550 4.586 -11.386 1.00 0.00 C ATOM 690 C GLY A 49 9.741 3.703 -11.697 1.00 0.00 C ATOM 691 O GLY A 49 10.500 3.972 -12.627 1.00 0.00 O ATOM 0 H GLY A 49 7.142 3.312 -10.500 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.479 5.377 -12.133 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.699 5.071 -10.421 1.00 0.00 H new ATOM 695 N ARG A 50 9.895 2.641 -10.910 1.00 0.00 N ATOM 696 CA ARG A 50 10.991 1.694 -11.084 1.00 0.00 C ATOM 697 C ARG A 50 10.944 0.624 -9.998 1.00 0.00 C ATOM 698 O ARG A 50 11.785 0.601 -9.099 1.00 0.00 O ATOM 699 CB ARG A 50 12.341 2.415 -11.041 1.00 0.00 C ATOM 700 CG ARG A 50 12.598 3.134 -9.728 1.00 0.00 C ATOM 701 CD ARG A 50 13.909 2.697 -9.089 1.00 0.00 C ATOM 702 NE ARG A 50 14.987 2.571 -10.071 1.00 0.00 N ATOM 703 CZ ARG A 50 15.533 1.414 -10.442 1.00 0.00 C ATOM 704 NH1 ARG A 50 15.112 0.266 -9.924 1.00 0.00 N ATOM 705 NH2 ARG A 50 16.509 1.405 -11.339 1.00 0.00 N ATOM 0 H ARG A 50 9.267 2.414 -10.139 1.00 0.00 H new ATOM 0 HA ARG A 50 10.878 1.219 -12.059 1.00 0.00 H new ATOM 0 HB2 ARG A 50 13.137 1.691 -11.212 1.00 0.00 H new ATOM 0 HB3 ARG A 50 12.386 3.136 -11.857 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.619 4.210 -9.901 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.776 2.938 -9.040 1.00 0.00 H new ATOM 0 HD2 ARG A 50 14.198 3.419 -8.326 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.765 1.741 -8.585 1.00 0.00 H new ATOM 0 HE ARG A 50 15.344 3.425 -10.499 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.362 0.263 -9.233 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.539 -0.613 -10.217 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.839 2.282 -11.742 1.00 0.00 H new ATOM 0 HH22 ARG A 50 16.930 0.521 -11.626 1.00 0.00 H new ATOM 719 N MET A 51 9.951 -0.259 -10.080 1.00 0.00 N ATOM 720 CA MET A 51 9.797 -1.325 -9.095 1.00 0.00 C ATOM 721 C MET A 51 11.117 -2.053 -8.867 1.00 0.00 C ATOM 722 O MET A 51 11.630 -2.732 -9.757 1.00 0.00 O ATOM 723 CB MET A 51 8.721 -2.317 -9.539 1.00 0.00 C ATOM 724 CG MET A 51 7.960 -2.944 -8.380 1.00 0.00 C ATOM 725 SD MET A 51 6.343 -2.191 -8.123 1.00 0.00 S ATOM 726 CE MET A 51 6.813 -0.519 -7.686 1.00 0.00 C ATOM 0 H MET A 51 9.244 -0.257 -10.815 1.00 0.00 H new ATOM 0 HA MET A 51 9.488 -0.869 -8.155 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.015 -1.806 -10.193 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.187 -3.107 -10.128 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.834 -4.010 -8.568 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.550 -2.848 -7.469 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.918 0.068 -7.479 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.447 -0.539 -6.800 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.360 -0.067 -8.513 1.00 0.00 H new ATOM 736 N ILE A 52 11.656 -1.909 -7.663 1.00 0.00 N ATOM 737 CA ILE A 52 12.917 -2.552 -7.303 1.00 0.00 C ATOM 738 C ILE A 52 12.751 -4.065 -7.210 1.00 0.00 C ATOM 739 O ILE A 52 11.632 -4.568 -7.107 1.00 0.00 O ATOM 740 CB ILE A 52 13.495 -2.022 -5.966 1.00 0.00 C ATOM 741 CG1 ILE A 52 12.386 -1.558 -5.013 1.00 0.00 C ATOM 742 CG2 ILE A 52 14.471 -0.885 -6.228 1.00 0.00 C ATOM 743 CD1 ILE A 52 12.897 -1.137 -3.652 1.00 0.00 C ATOM 0 H ILE A 52 11.240 -1.352 -6.917 1.00 0.00 H new ATOM 0 HA ILE A 52 13.621 -2.305 -8.098 1.00 0.00 H new ATOM 0 HB ILE A 52 14.023 -2.845 -5.485 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.854 -0.722 -5.467 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.664 -2.365 -4.888 1.00 0.00 H new ATOM 0 HG21 ILE A 52 14.870 -0.522 -5.281 1.00 0.00 H new ATOM 0 HG22 ILE A 52 15.289 -1.244 -6.852 1.00 0.00 H new ATOM 0 HG23 ILE A 52 13.955 -0.073 -6.739 1.00 0.00 H new ATOM 0 HD11 ILE A 52 12.059 -0.821 -3.030 1.00 0.00 H new ATOM 0 HD12 ILE A 52 13.404 -1.977 -3.178 1.00 0.00 H new ATOM 0 HD13 ILE A 52 13.596 -0.309 -3.766 1.00 0.00 H new ATOM 755 N PRO A 53 13.866 -4.817 -7.239 1.00 0.00 N ATOM 756 CA PRO A 53 13.832 -6.279 -7.150 1.00 0.00 C ATOM 757 C PRO A 53 13.234 -6.762 -5.834 1.00 0.00 C ATOM 758 O PRO A 53 12.890 -7.932 -5.696 1.00 0.00 O ATOM 759 CB PRO A 53 15.306 -6.690 -7.251 1.00 0.00 C ATOM 760 CG PRO A 53 16.074 -5.468 -6.886 1.00 0.00 C ATOM 761 CD PRO A 53 15.243 -4.305 -7.353 1.00 0.00 C ATOM 0 HA PRO A 53 13.206 -6.715 -7.929 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.533 -7.515 -6.575 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.554 -7.026 -8.258 1.00 0.00 H new ATOM 0 HG2 PRO A 53 16.244 -5.420 -5.810 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.054 -5.465 -7.364 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.398 -3.422 -6.732 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.485 -4.021 -8.377 1.00 0.00 H new ATOM 769 N GLY A 54 13.107 -5.855 -4.870 1.00 0.00 N ATOM 770 CA GLY A 54 12.543 -6.212 -3.584 1.00 0.00 C ATOM 771 C GLY A 54 11.034 -6.339 -3.639 1.00 0.00 C ATOM 772 O GLY A 54 10.480 -7.422 -3.428 1.00 0.00 O ATOM 0 H GLY A 54 13.386 -4.878 -4.958 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.974 -7.156 -3.249 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.816 -5.457 -2.847 1.00 0.00 H new ATOM 776 N PHE A 55 10.371 -5.230 -3.943 1.00 0.00 N ATOM 777 CA PHE A 55 8.926 -5.214 -4.048 1.00 0.00 C ATOM 778 C PHE A 55 8.482 -6.044 -5.242 1.00 0.00 C ATOM 779 O PHE A 55 7.535 -6.826 -5.160 1.00 0.00 O ATOM 780 CB PHE A 55 8.415 -3.781 -4.211 1.00 0.00 C ATOM 781 CG PHE A 55 8.245 -3.014 -2.925 1.00 0.00 C ATOM 782 CD1 PHE A 55 7.366 -3.447 -1.943 1.00 0.00 C ATOM 783 CD2 PHE A 55 8.956 -1.844 -2.711 1.00 0.00 C ATOM 784 CE1 PHE A 55 7.202 -2.729 -0.777 1.00 0.00 C ATOM 785 CE2 PHE A 55 8.795 -1.121 -1.543 1.00 0.00 C ATOM 786 CZ PHE A 55 7.916 -1.566 -0.575 1.00 0.00 C ATOM 0 H PHE A 55 10.817 -4.330 -4.121 1.00 0.00 H new ATOM 0 HA PHE A 55 8.511 -5.638 -3.133 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.107 -3.236 -4.853 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.456 -3.810 -4.728 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.804 -4.357 -2.093 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.644 -1.492 -3.465 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.514 -3.078 -0.021 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.355 -0.211 -1.388 1.00 0.00 H new ATOM 0 HZ PHE A 55 7.788 -1.004 0.339 1.00 0.00 H new ATOM 796 N GLU A 56 9.180 -5.870 -6.356 1.00 0.00 N ATOM 797 CA GLU A 56 8.866 -6.604 -7.570 1.00 0.00 C ATOM 798 C GLU A 56 9.017 -8.107 -7.354 1.00 0.00 C ATOM 799 O GLU A 56 8.552 -8.907 -8.164 1.00 0.00 O ATOM 800 CB GLU A 56 9.764 -6.143 -8.719 1.00 0.00 C ATOM 801 CG GLU A 56 9.214 -6.471 -10.096 1.00 0.00 C ATOM 802 CD GLU A 56 10.307 -6.785 -11.099 1.00 0.00 C ATOM 803 OE1 GLU A 56 10.754 -7.950 -11.146 1.00 0.00 O ATOM 804 OE2 GLU A 56 10.714 -5.865 -11.840 1.00 0.00 O ATOM 0 H GLU A 56 9.967 -5.227 -6.442 1.00 0.00 H new ATOM 0 HA GLU A 56 7.828 -6.399 -7.830 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.910 -5.065 -8.644 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.745 -6.606 -8.610 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.539 -7.324 -10.020 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.624 -5.629 -10.458 1.00 0.00 H new ATOM 811 N ASP A 57 9.668 -8.490 -6.256 1.00 0.00 N ATOM 812 CA ASP A 57 9.867 -9.898 -5.945 1.00 0.00 C ATOM 813 C ASP A 57 8.603 -10.504 -5.349 1.00 0.00 C ATOM 814 O ASP A 57 7.918 -11.290 -6.003 1.00 0.00 O ATOM 815 CB ASP A 57 11.037 -10.076 -4.975 1.00 0.00 C ATOM 816 CG ASP A 57 11.402 -11.532 -4.766 1.00 0.00 C ATOM 817 OD1 ASP A 57 12.117 -12.093 -5.625 1.00 0.00 O ATOM 818 OD2 ASP A 57 10.977 -12.113 -3.745 1.00 0.00 O ATOM 0 H ASP A 57 10.064 -7.845 -5.572 1.00 0.00 H new ATOM 0 HA ASP A 57 10.098 -10.417 -6.875 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.905 -9.538 -5.356 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.780 -9.628 -4.015 1.00 0.00 H new ATOM 823 N GLY A 58 8.309 -10.160 -4.097 1.00 0.00 N ATOM 824 CA GLY A 58 7.140 -10.713 -3.440 1.00 0.00 C ATOM 825 C GLY A 58 5.856 -10.089 -3.928 1.00 0.00 C ATOM 826 O GLY A 58 4.897 -10.791 -4.255 1.00 0.00 O ATOM 0 H GLY A 58 8.856 -9.512 -3.530 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.106 -11.789 -3.611 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.227 -10.564 -2.364 1.00 0.00 H new ATOM 830 N ILE A 59 5.839 -8.769 -3.987 1.00 0.00 N ATOM 831 CA ILE A 59 4.688 -8.021 -4.439 1.00 0.00 C ATOM 832 C ILE A 59 4.584 -8.058 -5.953 1.00 0.00 C ATOM 833 O ILE A 59 4.170 -7.097 -6.600 1.00 0.00 O ATOM 834 CB ILE A 59 4.778 -6.569 -3.939 1.00 0.00 C ATOM 835 CG1 ILE A 59 5.171 -6.544 -2.460 1.00 0.00 C ATOM 836 CG2 ILE A 59 3.455 -5.860 -4.137 1.00 0.00 C ATOM 837 CD1 ILE A 59 6.647 -6.704 -2.205 1.00 0.00 C ATOM 0 H ILE A 59 6.632 -8.185 -3.720 1.00 0.00 H new ATOM 0 HA ILE A 59 3.789 -8.480 -4.028 1.00 0.00 H new ATOM 0 HB ILE A 59 5.542 -6.049 -4.517 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.840 -5.601 -2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.637 -7.340 -1.941 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.535 -4.834 -3.778 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.200 -5.855 -5.197 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.676 -6.380 -3.579 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.836 -6.675 -1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.984 -7.659 -2.607 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.190 -5.894 -2.691 1.00 0.00 H new ATOM 849 N LYS A 60 4.896 -9.229 -6.482 1.00 0.00 N ATOM 850 CA LYS A 60 4.768 -9.468 -7.910 1.00 0.00 C ATOM 851 C LYS A 60 3.347 -9.053 -8.280 1.00 0.00 C ATOM 852 O LYS A 60 3.112 -8.281 -9.210 1.00 0.00 O ATOM 853 CB LYS A 60 5.001 -10.942 -8.251 1.00 0.00 C ATOM 854 CG LYS A 60 6.426 -11.246 -8.694 1.00 0.00 C ATOM 855 CD LYS A 60 6.470 -11.798 -10.111 1.00 0.00 C ATOM 856 CE LYS A 60 7.767 -12.547 -10.373 1.00 0.00 C ATOM 857 NZ LYS A 60 8.086 -12.619 -11.826 1.00 0.00 N ATOM 0 H LYS A 60 5.239 -10.027 -5.947 1.00 0.00 H new ATOM 0 HA LYS A 60 5.513 -8.900 -8.468 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.763 -11.550 -7.379 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.312 -11.237 -9.043 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.026 -10.337 -8.639 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.874 -11.966 -8.009 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.624 -12.466 -10.270 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.369 -10.981 -10.825 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.584 -12.053 -9.847 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.691 -13.556 -9.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.977 -13.137 -11.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.319 -13.113 -12.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.184 -11.657 -12.208 1.00 0.00 H new ATOM 871 N GLY A 61 2.416 -9.632 -7.533 1.00 0.00 N ATOM 872 CA GLY A 61 1.005 -9.408 -7.736 1.00 0.00 C ATOM 873 C GLY A 61 0.368 -10.655 -8.287 1.00 0.00 C ATOM 874 O GLY A 61 -0.439 -10.621 -9.214 1.00 0.00 O ATOM 0 H GLY A 61 2.627 -10.272 -6.767 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.531 -9.132 -6.794 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.854 -8.576 -8.424 1.00 0.00 H new ATOM 878 N HIS A 62 0.765 -11.770 -7.701 1.00 0.00 N ATOM 879 CA HIS A 62 0.270 -13.079 -8.122 1.00 0.00 C ATOM 880 C HIS A 62 -0.353 -13.860 -6.968 1.00 0.00 C ATOM 881 O HIS A 62 -1.061 -14.843 -7.189 1.00 0.00 O ATOM 882 CB HIS A 62 1.399 -13.894 -8.763 1.00 0.00 C ATOM 883 CG HIS A 62 2.576 -14.142 -7.864 1.00 0.00 C ATOM 884 ND1 HIS A 62 3.416 -15.225 -8.015 1.00 0.00 N ATOM 885 CD2 HIS A 62 3.065 -13.442 -6.809 1.00 0.00 C ATOM 886 CE1 HIS A 62 4.364 -15.183 -7.097 1.00 0.00 C ATOM 887 NE2 HIS A 62 4.173 -14.112 -6.354 1.00 0.00 N ATOM 0 H HIS A 62 1.431 -11.801 -6.929 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.515 -12.905 -8.858 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.998 -14.854 -9.088 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.744 -13.373 -9.656 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.658 -12.528 -6.403 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.160 -15.903 -6.976 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.755 -13.826 -5.567 1.00 0.00 H new ATOM 895 N LYS A 63 -0.099 -13.424 -5.740 1.00 0.00 N ATOM 896 CA LYS A 63 -0.652 -14.096 -4.572 1.00 0.00 C ATOM 897 C LYS A 63 -1.592 -13.166 -3.808 1.00 0.00 C ATOM 898 O LYS A 63 -1.214 -12.583 -2.792 1.00 0.00 O ATOM 899 CB LYS A 63 0.468 -14.580 -3.651 1.00 0.00 C ATOM 900 CG LYS A 63 1.186 -15.819 -4.157 1.00 0.00 C ATOM 901 CD LYS A 63 2.667 -15.795 -3.800 1.00 0.00 C ATOM 902 CE LYS A 63 3.073 -17.016 -2.986 1.00 0.00 C ATOM 903 NZ LYS A 63 2.693 -18.293 -3.655 1.00 0.00 N ATOM 0 H LYS A 63 0.483 -12.613 -5.528 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.221 -14.959 -4.917 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.194 -13.777 -3.525 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.051 -14.790 -2.666 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.723 -16.708 -3.730 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.073 -15.889 -5.239 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.260 -15.754 -4.713 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.890 -14.890 -3.234 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.151 -17.000 -2.824 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.602 -16.968 -2.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.371 -19.037 -3.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.738 -18.573 -3.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.704 -18.161 -4.687 1.00 0.00 H new ATOM 917 N ALA A 64 -2.822 -13.049 -4.294 1.00 0.00 N ATOM 918 CA ALA A 64 -3.825 -12.212 -3.647 1.00 0.00 C ATOM 919 C ALA A 64 -4.101 -12.676 -2.217 1.00 0.00 C ATOM 920 O ALA A 64 -4.895 -13.590 -1.997 1.00 0.00 O ATOM 921 CB ALA A 64 -5.110 -12.203 -4.462 1.00 0.00 C ATOM 0 H ALA A 64 -3.149 -13.524 -5.135 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.432 -11.196 -3.596 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.850 -11.574 -3.967 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.907 -11.809 -5.458 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.495 -13.219 -4.546 1.00 0.00 H new ATOM 927 N GLY A 65 -3.448 -12.043 -1.247 1.00 0.00 N ATOM 928 CA GLY A 65 -3.648 -12.411 0.146 1.00 0.00 C ATOM 929 C GLY A 65 -2.508 -13.251 0.690 1.00 0.00 C ATOM 930 O GLY A 65 -2.727 -14.182 1.464 1.00 0.00 O ATOM 0 H GLY A 65 -2.785 -11.283 -1.399 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.749 -11.507 0.747 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.582 -12.964 0.243 1.00 0.00 H new ATOM 934 N GLU A 66 -1.291 -12.931 0.266 1.00 0.00 N ATOM 935 CA GLU A 66 -0.103 -13.668 0.690 1.00 0.00 C ATOM 936 C GLU A 66 0.635 -12.975 1.828 1.00 0.00 C ATOM 937 O GLU A 66 0.381 -11.813 2.138 1.00 0.00 O ATOM 938 CB GLU A 66 0.847 -13.826 -0.490 1.00 0.00 C ATOM 939 CG GLU A 66 1.624 -15.132 -0.488 1.00 0.00 C ATOM 940 CD GLU A 66 0.727 -16.348 -0.368 1.00 0.00 C ATOM 941 OE1 GLU A 66 -0.129 -16.544 -1.256 1.00 0.00 O ATOM 942 OE2 GLU A 66 0.880 -17.106 0.613 1.00 0.00 O ATOM 0 H GLU A 66 -1.099 -12.161 -0.375 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.438 -14.640 1.051 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.275 -13.757 -1.415 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.553 -12.995 -0.489 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.206 -15.205 -1.407 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.334 -15.126 0.339 1.00 0.00 H new ATOM 949 N GLU A 67 1.577 -13.707 2.419 1.00 0.00 N ATOM 950 CA GLU A 67 2.411 -13.195 3.500 1.00 0.00 C ATOM 951 C GLU A 67 3.863 -13.602 3.256 1.00 0.00 C ATOM 952 O GLU A 67 4.219 -14.770 3.416 1.00 0.00 O ATOM 953 CB GLU A 67 1.935 -13.720 4.855 1.00 0.00 C ATOM 954 CG GLU A 67 0.445 -13.535 5.094 1.00 0.00 C ATOM 955 CD GLU A 67 -0.315 -14.847 5.081 1.00 0.00 C ATOM 956 OE1 GLU A 67 -0.193 -15.594 4.088 1.00 0.00 O ATOM 957 OE2 GLU A 67 -1.032 -15.127 6.064 1.00 0.00 O ATOM 0 H GLU A 67 1.782 -14.672 2.161 1.00 0.00 H new ATOM 0 HA GLU A 67 2.335 -12.108 3.517 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.177 -14.780 4.929 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.487 -13.211 5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.293 -13.041 6.054 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.037 -12.875 4.328 1.00 0.00 H new ATOM 964 N PHE A 68 4.693 -12.649 2.842 1.00 0.00 N ATOM 965 CA PHE A 68 6.094 -12.939 2.547 1.00 0.00 C ATOM 966 C PHE A 68 7.022 -11.864 3.103 1.00 0.00 C ATOM 967 O PHE A 68 6.580 -10.787 3.501 1.00 0.00 O ATOM 968 CB PHE A 68 6.293 -13.060 1.044 1.00 0.00 C ATOM 969 CG PHE A 68 5.755 -11.881 0.310 1.00 0.00 C ATOM 970 CD1 PHE A 68 6.528 -10.750 0.146 1.00 0.00 C ATOM 971 CD2 PHE A 68 4.468 -11.895 -0.192 1.00 0.00 C ATOM 972 CE1 PHE A 68 6.029 -9.649 -0.516 1.00 0.00 C ATOM 973 CE2 PHE A 68 3.961 -10.798 -0.853 1.00 0.00 C ATOM 974 CZ PHE A 68 4.741 -9.673 -1.016 1.00 0.00 C ATOM 0 H PHE A 68 4.423 -11.675 2.704 1.00 0.00 H new ATOM 0 HA PHE A 68 6.346 -13.883 3.030 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.356 -13.167 0.827 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.802 -13.965 0.686 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.533 -10.727 0.540 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.854 -12.774 -0.065 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.643 -8.770 -0.644 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.954 -10.819 -1.243 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.346 -8.812 -1.534 1.00 0.00 H new ATOM 984 N THR A 69 8.316 -12.169 3.121 1.00 0.00 N ATOM 985 CA THR A 69 9.318 -11.236 3.621 1.00 0.00 C ATOM 986 C THR A 69 10.387 -10.970 2.567 1.00 0.00 C ATOM 987 O THR A 69 11.144 -11.866 2.195 1.00 0.00 O ATOM 988 CB THR A 69 9.970 -11.788 4.888 1.00 0.00 C ATOM 989 OG1 THR A 69 8.992 -12.314 5.769 1.00 0.00 O ATOM 990 CG2 THR A 69 10.773 -10.753 5.648 1.00 0.00 C ATOM 0 H THR A 69 8.695 -13.058 2.794 1.00 0.00 H new ATOM 0 HA THR A 69 8.817 -10.296 3.854 1.00 0.00 H new ATOM 0 HB THR A 69 10.650 -12.569 4.547 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.430 -12.664 6.573 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.209 -11.211 6.536 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.569 -10.370 5.010 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.120 -9.933 5.946 1.00 0.00 H new ATOM 998 N ILE A 70 10.452 -9.729 2.093 1.00 0.00 N ATOM 999 CA ILE A 70 11.436 -9.346 1.089 1.00 0.00 C ATOM 1000 C ILE A 70 12.181 -8.088 1.513 1.00 0.00 C ATOM 1001 O ILE A 70 11.724 -7.349 2.385 1.00 0.00 O ATOM 1002 CB ILE A 70 10.789 -9.110 -0.297 1.00 0.00 C ATOM 1003 CG1 ILE A 70 9.983 -7.803 -0.316 1.00 0.00 C ATOM 1004 CG2 ILE A 70 9.907 -10.289 -0.681 1.00 0.00 C ATOM 1005 CD1 ILE A 70 8.778 -7.814 0.597 1.00 0.00 C ATOM 0 H ILE A 70 9.835 -8.973 2.389 1.00 0.00 H new ATOM 0 HA ILE A 70 12.137 -10.177 1.005 1.00 0.00 H new ATOM 0 HB ILE A 70 11.589 -9.021 -1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.637 -6.980 -0.028 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.652 -7.606 -1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.460 -10.106 -1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.510 -11.196 -0.722 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.118 -10.410 0.062 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.261 -6.857 0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.102 -8.614 0.297 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.102 -7.978 1.625 1.00 0.00 H new ATOM 1017 N ASP A 71 13.305 -7.823 0.861 1.00 0.00 N ATOM 1018 CA ASP A 71 14.086 -6.628 1.138 1.00 0.00 C ATOM 1019 C ASP A 71 13.705 -5.540 0.147 1.00 0.00 C ATOM 1020 O ASP A 71 13.319 -5.840 -0.978 1.00 0.00 O ATOM 1021 CB ASP A 71 15.581 -6.931 1.037 1.00 0.00 C ATOM 1022 CG ASP A 71 16.441 -5.738 1.410 1.00 0.00 C ATOM 1023 OD1 ASP A 71 16.474 -4.761 0.632 1.00 0.00 O ATOM 1024 OD2 ASP A 71 17.084 -5.782 2.480 1.00 0.00 O ATOM 0 H ASP A 71 13.696 -8.423 0.134 1.00 0.00 H new ATOM 0 HA ASP A 71 13.874 -6.288 2.152 1.00 0.00 H new ATOM 0 HB2 ASP A 71 15.824 -7.769 1.691 1.00 0.00 H new ATOM 0 HB3 ASP A 71 15.818 -7.242 0.019 1.00 0.00 H new ATOM 1029 N VAL A 72 13.834 -4.284 0.542 1.00 0.00 N ATOM 1030 CA VAL A 72 13.519 -3.178 -0.352 1.00 0.00 C ATOM 1031 C VAL A 72 14.435 -1.993 -0.071 1.00 0.00 C ATOM 1032 O VAL A 72 14.616 -1.598 1.079 1.00 0.00 O ATOM 1033 CB VAL A 72 12.042 -2.755 -0.238 1.00 0.00 C ATOM 1034 CG1 VAL A 72 11.797 -1.348 -0.783 1.00 0.00 C ATOM 1035 CG2 VAL A 72 11.145 -3.764 -0.940 1.00 0.00 C ATOM 0 H VAL A 72 14.153 -4.004 1.470 1.00 0.00 H new ATOM 0 HA VAL A 72 13.685 -3.521 -1.373 1.00 0.00 H new ATOM 0 HB VAL A 72 11.793 -2.735 0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.741 -1.097 -0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.397 -0.631 -0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.078 -1.312 -1.836 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.105 -3.451 -0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.417 -3.821 -1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.270 -4.744 -0.479 1.00 0.00 H new ATOM 1045 N THR A 73 14.994 -1.413 -1.125 1.00 0.00 N ATOM 1046 CA THR A 73 15.873 -0.261 -1.001 1.00 0.00 C ATOM 1047 C THR A 73 15.692 0.619 -2.228 1.00 0.00 C ATOM 1048 O THR A 73 15.824 0.149 -3.359 1.00 0.00 O ATOM 1049 CB THR A 73 17.332 -0.709 -0.880 1.00 0.00 C ATOM 1050 OG1 THR A 73 17.591 -1.236 0.410 1.00 0.00 O ATOM 1051 CG2 THR A 73 18.322 0.409 -1.127 1.00 0.00 C ATOM 0 H THR A 73 14.851 -1.727 -2.085 1.00 0.00 H new ATOM 0 HA THR A 73 15.619 0.299 -0.101 1.00 0.00 H new ATOM 0 HB THR A 73 17.466 -1.469 -1.650 1.00 0.00 H new ATOM 0 HG1 THR A 73 16.749 -1.323 0.903 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.337 0.025 -1.026 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.182 0.804 -2.133 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.161 1.205 -0.400 1.00 0.00 H new ATOM 1059 N PHE A 74 15.377 1.885 -2.015 1.00 0.00 N ATOM 1060 CA PHE A 74 15.163 2.803 -3.122 1.00 0.00 C ATOM 1061 C PHE A 74 16.479 3.401 -3.614 1.00 0.00 C ATOM 1062 O PHE A 74 17.285 3.888 -2.820 1.00 0.00 O ATOM 1063 CB PHE A 74 14.190 3.898 -2.703 1.00 0.00 C ATOM 1064 CG PHE A 74 12.792 3.386 -2.505 1.00 0.00 C ATOM 1065 CD1 PHE A 74 12.519 2.397 -1.570 1.00 0.00 C ATOM 1066 CD2 PHE A 74 11.749 3.891 -3.257 1.00 0.00 C ATOM 1067 CE1 PHE A 74 11.228 1.929 -1.395 1.00 0.00 C ATOM 1068 CE2 PHE A 74 10.461 3.429 -3.089 1.00 0.00 C ATOM 1069 CZ PHE A 74 10.199 2.448 -2.156 1.00 0.00 C ATOM 0 H PHE A 74 15.264 2.300 -1.090 1.00 0.00 H new ATOM 0 HA PHE A 74 14.732 2.245 -3.953 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.540 4.355 -1.777 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.182 4.681 -3.461 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.321 1.989 -0.973 1.00 0.00 H new ATOM 0 HD2 PHE A 74 11.946 4.661 -3.989 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.026 1.159 -0.665 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.659 3.835 -3.687 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.191 2.086 -2.021 1.00 0.00 H new ATOM 1079 N PRO A 75 16.718 3.366 -4.938 1.00 0.00 N ATOM 1080 CA PRO A 75 17.946 3.900 -5.535 1.00 0.00 C ATOM 1081 C PRO A 75 18.022 5.420 -5.467 1.00 0.00 C ATOM 1082 O PRO A 75 17.075 6.084 -5.043 1.00 0.00 O ATOM 1083 CB PRO A 75 17.864 3.440 -6.992 1.00 0.00 C ATOM 1084 CG PRO A 75 16.409 3.257 -7.251 1.00 0.00 C ATOM 1085 CD PRO A 75 15.813 2.794 -5.955 1.00 0.00 C ATOM 0 HA PRO A 75 18.833 3.549 -5.007 1.00 0.00 H new ATOM 0 HB2 PRO A 75 18.296 4.180 -7.666 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.413 2.511 -7.145 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.951 4.190 -7.580 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.242 2.524 -8.041 1.00 0.00 H new ATOM 0 HD2 PRO A 75 14.791 3.154 -5.831 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.778 1.706 -5.895 1.00 0.00 H new ATOM 1093 N GLU A 76 19.158 5.963 -5.892 1.00 0.00 N ATOM 1094 CA GLU A 76 19.372 7.405 -5.887 1.00 0.00 C ATOM 1095 C GLU A 76 18.523 8.099 -6.954 1.00 0.00 C ATOM 1096 O GLU A 76 18.397 9.323 -6.954 1.00 0.00 O ATOM 1097 CB GLU A 76 20.856 7.717 -6.114 1.00 0.00 C ATOM 1098 CG GLU A 76 21.443 8.665 -5.082 1.00 0.00 C ATOM 1099 CD GLU A 76 22.905 8.382 -4.796 1.00 0.00 C ATOM 1100 OE1 GLU A 76 23.762 8.822 -5.590 1.00 0.00 O ATOM 1101 OE2 GLU A 76 23.192 7.718 -3.778 1.00 0.00 O ATOM 0 H GLU A 76 19.948 5.423 -6.246 1.00 0.00 H new ATOM 0 HA GLU A 76 19.067 7.786 -4.913 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.421 6.785 -6.101 1.00 0.00 H new ATOM 0 HB3 GLU A 76 20.980 8.151 -7.106 1.00 0.00 H new ATOM 0 HG2 GLU A 76 21.337 9.691 -5.435 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.873 8.586 -4.156 1.00 0.00 H new ATOM 1108 N GLU A 77 17.948 7.315 -7.863 1.00 0.00 N ATOM 1109 CA GLU A 77 17.120 7.870 -8.929 1.00 0.00 C ATOM 1110 C GLU A 77 15.672 8.034 -8.471 1.00 0.00 C ATOM 1111 O GLU A 77 14.969 8.937 -8.923 1.00 0.00 O ATOM 1112 CB GLU A 77 17.186 6.984 -10.177 1.00 0.00 C ATOM 1113 CG GLU A 77 16.999 5.504 -9.890 1.00 0.00 C ATOM 1114 CD GLU A 77 18.257 4.695 -10.141 1.00 0.00 C ATOM 1115 OE1 GLU A 77 19.315 5.053 -9.582 1.00 0.00 O ATOM 1116 OE2 GLU A 77 18.183 3.703 -10.898 1.00 0.00 O ATOM 0 H GLU A 77 18.040 6.299 -7.883 1.00 0.00 H new ATOM 0 HA GLU A 77 17.511 8.856 -9.179 1.00 0.00 H new ATOM 0 HB2 GLU A 77 16.420 7.307 -10.881 1.00 0.00 H new ATOM 0 HB3 GLU A 77 18.150 7.131 -10.665 1.00 0.00 H new ATOM 0 HG2 GLU A 77 16.690 5.376 -8.852 1.00 0.00 H new ATOM 0 HG3 GLU A 77 16.193 5.117 -10.513 1.00 0.00 H new ATOM 1123 N TYR A 78 15.234 7.164 -7.565 1.00 0.00 N ATOM 1124 CA TYR A 78 13.874 7.223 -7.037 1.00 0.00 C ATOM 1125 C TYR A 78 13.711 8.443 -6.136 1.00 0.00 C ATOM 1126 O TYR A 78 13.028 9.405 -6.488 1.00 0.00 O ATOM 1127 CB TYR A 78 13.559 5.946 -6.249 1.00 0.00 C ATOM 1128 CG TYR A 78 12.082 5.649 -6.111 1.00 0.00 C ATOM 1129 CD1 TYR A 78 11.265 6.397 -5.266 1.00 0.00 C ATOM 1130 CD2 TYR A 78 11.508 4.611 -6.827 1.00 0.00 C ATOM 1131 CE1 TYR A 78 9.919 6.113 -5.145 1.00 0.00 C ATOM 1132 CE2 TYR A 78 10.162 4.321 -6.714 1.00 0.00 C ATOM 1133 CZ TYR A 78 9.371 5.075 -5.873 1.00 0.00 C ATOM 1134 OH TYR A 78 8.027 4.789 -5.757 1.00 0.00 O ATOM 0 H TYR A 78 15.802 6.409 -7.181 1.00 0.00 H new ATOM 0 HA TYR A 78 13.178 7.306 -7.872 1.00 0.00 H new ATOM 0 HB2 TYR A 78 14.043 5.102 -6.739 1.00 0.00 H new ATOM 0 HB3 TYR A 78 13.996 6.030 -5.254 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.690 7.211 -4.697 1.00 0.00 H new ATOM 0 HD2 TYR A 78 12.124 4.017 -7.486 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.298 6.700 -4.484 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.732 3.509 -7.281 1.00 0.00 H new ATOM 0 HH TYR A 78 7.803 4.031 -6.337 1.00 0.00 H new ATOM 1144 N HIS A 79 14.366 8.389 -4.981 1.00 0.00 N ATOM 1145 CA HIS A 79 14.345 9.467 -3.998 1.00 0.00 C ATOM 1146 C HIS A 79 13.012 10.221 -3.948 1.00 0.00 C ATOM 1147 O HIS A 79 12.894 11.323 -4.483 1.00 0.00 O ATOM 1148 CB HIS A 79 15.486 10.441 -4.273 1.00 0.00 C ATOM 1149 CG HIS A 79 16.787 9.989 -3.690 1.00 0.00 C ATOM 1150 ND1 HIS A 79 17.839 10.843 -3.428 1.00 0.00 N ATOM 1151 CD2 HIS A 79 17.205 8.757 -3.308 1.00 0.00 C ATOM 1152 CE1 HIS A 79 18.844 10.159 -2.914 1.00 0.00 C ATOM 1153 NE2 HIS A 79 18.484 8.891 -2.830 1.00 0.00 N ATOM 0 H HIS A 79 14.932 7.589 -4.698 1.00 0.00 H new ATOM 0 HA HIS A 79 14.473 9.001 -3.021 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.599 10.566 -5.350 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.230 11.418 -3.864 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.637 7.841 -3.369 1.00 0.00 H new ATOM 0 HE1 HIS A 79 19.798 10.567 -2.613 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.063 8.134 -2.468 1.00 0.00 H new ATOM 1161 N ALA A 80 12.018 9.633 -3.279 1.00 0.00 N ATOM 1162 CA ALA A 80 10.712 10.269 -3.140 1.00 0.00 C ATOM 1163 C ALA A 80 10.689 11.175 -1.910 1.00 0.00 C ATOM 1164 O ALA A 80 11.357 10.908 -0.915 1.00 0.00 O ATOM 1165 CB ALA A 80 9.610 9.226 -3.059 1.00 0.00 C ATOM 0 H ALA A 80 12.094 8.721 -2.828 1.00 0.00 H new ATOM 0 HA ALA A 80 10.533 10.882 -4.024 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.645 9.723 -2.956 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.612 8.623 -3.967 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.781 8.583 -2.196 1.00 0.00 H new ATOM 1171 N GLU A 81 9.929 12.258 -1.995 1.00 0.00 N ATOM 1172 CA GLU A 81 9.831 13.226 -0.904 1.00 0.00 C ATOM 1173 C GLU A 81 9.548 12.580 0.456 1.00 0.00 C ATOM 1174 O GLU A 81 9.871 13.158 1.494 1.00 0.00 O ATOM 1175 CB GLU A 81 8.736 14.247 -1.216 1.00 0.00 C ATOM 1176 CG GLU A 81 7.354 13.631 -1.361 1.00 0.00 C ATOM 1177 CD GLU A 81 6.379 14.545 -2.077 1.00 0.00 C ATOM 1178 OE1 GLU A 81 6.460 14.643 -3.319 1.00 0.00 O ATOM 1179 OE2 GLU A 81 5.533 15.162 -1.395 1.00 0.00 O ATOM 0 H GLU A 81 9.366 12.492 -2.813 1.00 0.00 H new ATOM 0 HA GLU A 81 10.804 13.712 -0.831 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.710 14.994 -0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.990 14.770 -2.138 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.435 12.692 -1.909 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.962 13.391 -0.373 1.00 0.00 H new ATOM 1186 N ASN A 82 8.912 11.413 0.462 1.00 0.00 N ATOM 1187 CA ASN A 82 8.562 10.753 1.721 1.00 0.00 C ATOM 1188 C ASN A 82 9.583 9.705 2.181 1.00 0.00 C ATOM 1189 O ASN A 82 9.843 9.584 3.378 1.00 0.00 O ATOM 1190 CB ASN A 82 7.183 10.105 1.608 1.00 0.00 C ATOM 1191 CG ASN A 82 7.069 9.191 0.405 1.00 0.00 C ATOM 1192 OD1 ASN A 82 6.454 9.541 -0.601 1.00 0.00 O ATOM 1193 ND2 ASN A 82 7.667 8.011 0.506 1.00 0.00 N ATOM 0 H ASN A 82 8.630 10.908 -0.378 1.00 0.00 H new ATOM 0 HA ASN A 82 8.559 11.537 2.478 1.00 0.00 H new ATOM 0 HB2 ASN A 82 6.977 9.535 2.514 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.423 10.884 1.542 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.628 7.351 -0.271 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.166 7.764 1.361 1.00 0.00 H new ATOM 1200 N LEU A 83 10.134 8.926 1.252 1.00 0.00 N ATOM 1201 CA LEU A 83 11.086 7.874 1.627 1.00 0.00 C ATOM 1202 C LEU A 83 12.336 7.844 0.749 1.00 0.00 C ATOM 1203 O LEU A 83 13.052 6.849 0.720 1.00 0.00 O ATOM 1204 CB LEU A 83 10.394 6.502 1.607 1.00 0.00 C ATOM 1205 CG LEU A 83 10.214 5.814 0.234 1.00 0.00 C ATOM 1206 CD1 LEU A 83 10.122 6.797 -0.925 1.00 0.00 C ATOM 1207 CD2 LEU A 83 11.340 4.837 -0.015 1.00 0.00 C ATOM 0 H LEU A 83 9.945 8.998 0.252 1.00 0.00 H new ATOM 0 HA LEU A 83 11.422 8.108 2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.963 5.829 2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.408 6.616 2.058 1.00 0.00 H new ATOM 0 HG LEU A 83 9.262 5.286 0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.997 6.248 -1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.268 7.458 -0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.035 7.390 -0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.200 4.360 -0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.292 5.368 -0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.341 4.077 0.766 1.00 0.00 H new ATOM 1219 N LYS A 84 12.593 8.931 0.041 1.00 0.00 N ATOM 1220 CA LYS A 84 13.761 9.026 -0.842 1.00 0.00 C ATOM 1221 C LYS A 84 14.967 8.239 -0.321 1.00 0.00 C ATOM 1222 O LYS A 84 15.392 8.408 0.822 1.00 0.00 O ATOM 1223 CB LYS A 84 14.163 10.487 -1.056 1.00 0.00 C ATOM 1224 CG LYS A 84 14.508 11.220 0.232 1.00 0.00 C ATOM 1225 CD LYS A 84 14.039 12.666 0.192 1.00 0.00 C ATOM 1226 CE LYS A 84 14.604 13.465 1.354 1.00 0.00 C ATOM 1227 NZ LYS A 84 14.169 12.917 2.671 1.00 0.00 N ATOM 0 H LYS A 84 12.010 9.768 0.056 1.00 0.00 H new ATOM 0 HA LYS A 84 13.460 8.581 -1.791 1.00 0.00 H new ATOM 0 HB2 LYS A 84 15.022 10.524 -1.726 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.347 11.010 -1.554 1.00 0.00 H new ATOM 0 HG2 LYS A 84 14.046 10.710 1.077 1.00 0.00 H new ATOM 0 HG3 LYS A 84 15.586 11.190 0.392 1.00 0.00 H new ATOM 0 HD2 LYS A 84 14.345 13.123 -0.749 1.00 0.00 H new ATOM 0 HD3 LYS A 84 12.950 12.698 0.222 1.00 0.00 H new ATOM 0 HE2 LYS A 84 15.693 13.461 1.301 1.00 0.00 H new ATOM 0 HE3 LYS A 84 14.284 14.504 1.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.505 13.539 3.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.131 12.865 2.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.567 11.965 2.799 1.00 0.00 H new ATOM 1241 N GLY A 85 15.519 7.387 -1.186 1.00 0.00 N ATOM 1242 CA GLY A 85 16.682 6.585 -0.831 1.00 0.00 C ATOM 1243 C GLY A 85 16.536 5.859 0.494 1.00 0.00 C ATOM 1244 O GLY A 85 17.381 5.999 1.378 1.00 0.00 O ATOM 0 H GLY A 85 15.177 7.237 -2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.863 5.854 -1.619 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.559 7.231 -0.788 1.00 0.00 H new ATOM 1248 N LYS A 86 15.466 5.083 0.636 1.00 0.00 N ATOM 1249 CA LYS A 86 15.225 4.339 1.867 1.00 0.00 C ATOM 1250 C LYS A 86 15.667 2.882 1.748 1.00 0.00 C ATOM 1251 O LYS A 86 14.855 2.004 1.457 1.00 0.00 O ATOM 1252 CB LYS A 86 13.745 4.387 2.240 1.00 0.00 C ATOM 1253 CG LYS A 86 13.444 3.850 3.632 1.00 0.00 C ATOM 1254 CD LYS A 86 12.699 2.522 3.580 1.00 0.00 C ATOM 1255 CE LYS A 86 11.416 2.626 2.768 1.00 0.00 C ATOM 1256 NZ LYS A 86 10.282 1.906 3.413 1.00 0.00 N ATOM 0 H LYS A 86 14.755 4.953 -0.083 1.00 0.00 H new ATOM 0 HA LYS A 86 15.818 4.814 2.648 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.397 5.418 2.175 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.177 3.812 1.508 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.377 3.722 4.181 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.848 4.579 4.181 1.00 0.00 H new ATOM 0 HD2 LYS A 86 13.345 1.760 3.144 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.463 2.198 4.593 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.152 3.676 2.641 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.584 2.217 1.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 9.443 1.961 2.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.541 0.909 3.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.070 2.345 4.332 1.00 0.00 H new ATOM 1270 N ALA A 87 16.942 2.623 2.008 1.00 0.00 N ATOM 1271 CA ALA A 87 17.463 1.263 1.963 1.00 0.00 C ATOM 1272 C ALA A 87 17.008 0.525 3.212 1.00 0.00 C ATOM 1273 O ALA A 87 17.611 0.663 4.275 1.00 0.00 O ATOM 1274 CB ALA A 87 18.982 1.278 1.873 1.00 0.00 C ATOM 0 H ALA A 87 17.632 3.334 2.251 1.00 0.00 H new ATOM 0 HA ALA A 87 17.082 0.752 1.078 1.00 0.00 H new ATOM 0 HB1 ALA A 87 19.355 0.254 1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.288 1.805 0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.393 1.786 2.745 1.00 0.00 H new ATOM 1280 N ALA A 88 15.910 -0.219 3.101 1.00 0.00 N ATOM 1281 CA ALA A 88 15.363 -0.912 4.261 1.00 0.00 C ATOM 1282 C ALA A 88 14.992 -2.372 3.995 1.00 0.00 C ATOM 1283 O ALA A 88 15.300 -2.939 2.947 1.00 0.00 O ATOM 1284 CB ALA A 88 14.142 -0.147 4.754 1.00 0.00 C ATOM 0 H ALA A 88 15.390 -0.355 2.234 1.00 0.00 H new ATOM 0 HA ALA A 88 16.147 -0.939 5.018 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.721 -0.654 5.622 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.435 0.866 5.031 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.395 -0.104 3.961 1.00 0.00 H new ATOM 1290 N LYS A 89 14.310 -2.950 4.978 1.00 0.00 N ATOM 1291 CA LYS A 89 13.840 -4.331 4.932 1.00 0.00 C ATOM 1292 C LYS A 89 12.398 -4.365 5.416 1.00 0.00 C ATOM 1293 O LYS A 89 12.079 -3.736 6.424 1.00 0.00 O ATOM 1294 CB LYS A 89 14.710 -5.225 5.821 1.00 0.00 C ATOM 1295 CG LYS A 89 16.111 -5.462 5.281 1.00 0.00 C ATOM 1296 CD LYS A 89 17.031 -6.028 6.353 1.00 0.00 C ATOM 1297 CE LYS A 89 18.156 -5.061 6.694 1.00 0.00 C ATOM 1298 NZ LYS A 89 19.435 -5.771 6.964 1.00 0.00 N ATOM 0 H LYS A 89 14.064 -2.466 5.842 1.00 0.00 H new ATOM 0 HA LYS A 89 13.904 -4.705 3.910 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.785 -4.773 6.810 1.00 0.00 H new ATOM 0 HB3 LYS A 89 14.213 -6.187 5.947 1.00 0.00 H new ATOM 0 HG2 LYS A 89 16.066 -6.151 4.438 1.00 0.00 H new ATOM 0 HG3 LYS A 89 16.521 -4.525 4.905 1.00 0.00 H new ATOM 0 HD2 LYS A 89 16.453 -6.246 7.251 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.454 -6.972 6.009 1.00 0.00 H new ATOM 0 HE2 LYS A 89 18.296 -4.362 5.870 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.876 -4.472 7.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 20.176 -5.077 7.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 19.309 -6.420 7.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.716 -6.313 6.122 1.00 0.00 H new ATOM 1312 N PHE A 90 11.538 -5.145 4.766 1.00 0.00 N ATOM 1313 CA PHE A 90 10.156 -5.283 5.222 1.00 0.00 C ATOM 1314 C PHE A 90 9.661 -6.718 5.109 1.00 0.00 C ATOM 1315 O PHE A 90 10.245 -7.540 4.402 1.00 0.00 O ATOM 1316 CB PHE A 90 9.181 -4.397 4.442 1.00 0.00 C ATOM 1317 CG PHE A 90 9.770 -3.171 3.821 1.00 0.00 C ATOM 1318 CD1 PHE A 90 10.522 -2.284 4.565 1.00 0.00 C ATOM 1319 CD2 PHE A 90 9.532 -2.891 2.490 1.00 0.00 C ATOM 1320 CE1 PHE A 90 11.035 -1.141 3.991 1.00 0.00 C ATOM 1321 CE2 PHE A 90 10.036 -1.748 1.909 1.00 0.00 C ATOM 1322 CZ PHE A 90 10.790 -0.870 2.659 1.00 0.00 C ATOM 0 H PHE A 90 11.769 -5.685 3.932 1.00 0.00 H new ATOM 0 HA PHE A 90 10.175 -4.969 6.266 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.725 -4.997 3.654 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.380 -4.091 5.115 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.710 -2.488 5.609 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.944 -3.576 1.897 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.628 -0.458 4.582 1.00 0.00 H new ATOM 0 HE2 PHE A 90 9.841 -1.540 0.867 1.00 0.00 H new ATOM 0 HZ PHE A 90 11.188 0.026 2.206 1.00 0.00 H new ATOM 1332 N ALA A 91 8.531 -6.980 5.753 1.00 0.00 N ATOM 1333 CA ALA A 91 7.863 -8.267 5.691 1.00 0.00 C ATOM 1334 C ALA A 91 6.448 -7.949 5.244 1.00 0.00 C ATOM 1335 O ALA A 91 5.662 -7.362 5.986 1.00 0.00 O ATOM 1336 CB ALA A 91 7.869 -8.966 7.043 1.00 0.00 C ATOM 0 H ALA A 91 8.050 -6.296 6.338 1.00 0.00 H new ATOM 0 HA ALA A 91 8.366 -8.951 5.007 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.360 -9.926 6.958 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.898 -9.127 7.365 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.353 -8.345 7.776 1.00 0.00 H new ATOM 1342 N ILE A 92 6.180 -8.228 3.981 1.00 0.00 N ATOM 1343 CA ILE A 92 4.915 -7.858 3.371 1.00 0.00 C ATOM 1344 C ILE A 92 3.882 -8.979 3.281 1.00 0.00 C ATOM 1345 O ILE A 92 4.202 -10.165 3.359 1.00 0.00 O ATOM 1346 CB ILE A 92 5.187 -7.342 1.947 1.00 0.00 C ATOM 1347 CG1 ILE A 92 6.296 -6.280 1.982 1.00 0.00 C ATOM 1348 CG2 ILE A 92 3.915 -6.813 1.309 1.00 0.00 C ATOM 1349 CD1 ILE A 92 6.374 -5.416 0.744 1.00 0.00 C ATOM 0 H ILE A 92 6.824 -8.712 3.355 1.00 0.00 H new ATOM 0 HA ILE A 92 4.484 -7.100 4.025 1.00 0.00 H new ATOM 0 HB ILE A 92 5.531 -8.170 1.327 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.140 -5.638 2.849 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.255 -6.778 2.123 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.134 -6.454 0.303 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.175 -7.612 1.256 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.521 -5.993 1.909 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.184 -4.695 0.854 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.564 -6.044 -0.127 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.431 -4.886 0.610 1.00 0.00 H new ATOM 1361 N ASN A 93 2.633 -8.558 3.066 1.00 0.00 N ATOM 1362 CA ASN A 93 1.505 -9.462 2.902 1.00 0.00 C ATOM 1363 C ASN A 93 0.657 -9.005 1.711 1.00 0.00 C ATOM 1364 O ASN A 93 -0.072 -8.017 1.807 1.00 0.00 O ATOM 1365 CB ASN A 93 0.643 -9.490 4.168 1.00 0.00 C ATOM 1366 CG ASN A 93 1.463 -9.418 5.441 1.00 0.00 C ATOM 1367 OD1 ASN A 93 1.401 -8.433 6.179 1.00 0.00 O ATOM 1368 ND2 ASN A 93 2.237 -10.462 5.708 1.00 0.00 N ATOM 0 H ASN A 93 2.380 -7.572 3.001 1.00 0.00 H new ATOM 0 HA ASN A 93 1.885 -10.467 2.722 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -0.056 -8.654 4.144 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.048 -10.403 4.176 1.00 0.00 H new ATOM 0 HD21 ASN A 93 2.810 -10.469 6.551 1.00 0.00 H new ATOM 0 HD22 ASN A 93 2.259 -11.257 5.070 1.00 0.00 H new ATOM 1375 N LEU A 94 0.761 -9.713 0.587 1.00 0.00 N ATOM 1376 CA LEU A 94 0.005 -9.350 -0.612 1.00 0.00 C ATOM 1377 C LEU A 94 -1.487 -9.553 -0.406 1.00 0.00 C ATOM 1378 O LEU A 94 -1.900 -10.382 0.402 1.00 0.00 O ATOM 1379 CB LEU A 94 0.481 -10.164 -1.820 1.00 0.00 C ATOM 1380 CG LEU A 94 0.056 -9.618 -3.187 1.00 0.00 C ATOM 1381 CD1 LEU A 94 0.809 -8.334 -3.506 1.00 0.00 C ATOM 1382 CD2 LEU A 94 0.293 -10.658 -4.272 1.00 0.00 C ATOM 0 H LEU A 94 1.356 -10.535 0.481 1.00 0.00 H new ATOM 0 HA LEU A 94 0.184 -8.292 -0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.569 -10.221 -1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.106 -11.183 -1.721 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.010 -9.392 -3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.495 -7.960 -4.480 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.592 -7.586 -2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.880 -8.535 -3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.014 -10.254 -5.237 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.352 -10.913 -4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.289 -11.553 -4.052 1.00 0.00 H new ATOM 1394 N LYS A 95 -2.295 -8.790 -1.142 1.00 0.00 N ATOM 1395 CA LYS A 95 -3.744 -8.892 -1.035 1.00 0.00 C ATOM 1396 C LYS A 95 -4.423 -8.561 -2.371 1.00 0.00 C ATOM 1397 O LYS A 95 -4.416 -9.375 -3.292 1.00 0.00 O ATOM 1398 CB LYS A 95 -4.264 -7.981 0.087 1.00 0.00 C ATOM 1399 CG LYS A 95 -4.144 -8.588 1.474 1.00 0.00 C ATOM 1400 CD LYS A 95 -4.210 -7.517 2.552 1.00 0.00 C ATOM 1401 CE LYS A 95 -5.618 -6.960 2.707 1.00 0.00 C ATOM 1402 NZ LYS A 95 -6.165 -7.193 4.073 1.00 0.00 N ATOM 0 H LYS A 95 -1.969 -8.097 -1.816 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.995 -9.923 -0.785 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.714 -7.040 0.063 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.310 -7.743 -0.106 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.945 -9.312 1.627 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.203 -9.132 1.555 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.878 -7.936 3.502 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.524 -6.707 2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.609 -5.890 2.498 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.274 -7.424 1.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.125 -6.798 4.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.198 -8.215 4.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.554 -6.729 4.775 1.00 0.00 H new ATOM 1416 N LYS A 96 -5.051 -7.392 -2.460 1.00 0.00 N ATOM 1417 CA LYS A 96 -5.769 -7.016 -3.668 1.00 0.00 C ATOM 1418 C LYS A 96 -4.835 -6.619 -4.804 1.00 0.00 C ATOM 1419 O LYS A 96 -4.303 -5.510 -4.833 1.00 0.00 O ATOM 1420 CB LYS A 96 -6.730 -5.866 -3.362 1.00 0.00 C ATOM 1421 CG LYS A 96 -8.098 -6.326 -2.886 1.00 0.00 C ATOM 1422 CD LYS A 96 -8.745 -5.296 -1.975 1.00 0.00 C ATOM 1423 CE LYS A 96 -9.370 -4.162 -2.772 1.00 0.00 C ATOM 1424 NZ LYS A 96 -9.185 -2.841 -2.104 1.00 0.00 N ATOM 0 H LYS A 96 -5.076 -6.696 -1.715 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.325 -7.893 -3.999 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.286 -5.226 -2.600 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.852 -5.258 -4.258 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.742 -6.508 -3.747 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.000 -7.273 -2.355 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.509 -5.777 -1.365 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.998 -4.893 -1.291 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.926 -4.130 -3.767 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.435 -4.356 -2.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.626 -2.096 -2.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.631 -2.862 -1.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.169 -2.643 -2.001 1.00 0.00 H new ATOM 1438 N VAL A 97 -4.669 -7.530 -5.761 1.00 0.00 N ATOM 1439 CA VAL A 97 -3.835 -7.294 -6.932 1.00 0.00 C ATOM 1440 C VAL A 97 -4.718 -7.177 -8.174 1.00 0.00 C ATOM 1441 O VAL A 97 -5.237 -8.175 -8.673 1.00 0.00 O ATOM 1442 CB VAL A 97 -2.812 -8.443 -7.124 1.00 0.00 C ATOM 1443 CG1 VAL A 97 -3.468 -9.806 -6.918 1.00 0.00 C ATOM 1444 CG2 VAL A 97 -2.146 -8.368 -8.496 1.00 0.00 C ATOM 0 H VAL A 97 -5.109 -8.450 -5.744 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.284 -6.365 -6.783 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.038 -8.321 -6.366 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.726 -10.592 -7.059 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.873 -9.866 -5.908 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.274 -9.934 -7.640 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.434 -9.187 -8.600 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.906 -8.446 -9.274 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.622 -7.417 -8.595 1.00 0.00 H new ATOM 1454 N GLU A 98 -4.897 -5.951 -8.657 1.00 0.00 N ATOM 1455 CA GLU A 98 -5.734 -5.704 -9.828 1.00 0.00 C ATOM 1456 C GLU A 98 -4.957 -4.945 -10.910 1.00 0.00 C ATOM 1457 O GLU A 98 -3.846 -4.484 -10.665 1.00 0.00 O ATOM 1458 CB GLU A 98 -6.980 -4.925 -9.411 1.00 0.00 C ATOM 1459 CG GLU A 98 -7.771 -5.592 -8.297 1.00 0.00 C ATOM 1460 CD GLU A 98 -7.660 -4.845 -6.982 1.00 0.00 C ATOM 1461 OE1 GLU A 98 -6.560 -4.846 -6.390 1.00 0.00 O ATOM 1462 OE2 GLU A 98 -8.672 -4.258 -6.545 1.00 0.00 O ATOM 0 H GLU A 98 -4.474 -5.114 -8.257 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.037 -6.662 -10.251 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.683 -3.927 -9.087 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.627 -4.799 -10.279 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.820 -5.656 -8.588 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.414 -6.613 -8.163 1.00 0.00 H new ATOM 1469 N GLU A 99 -5.541 -4.840 -12.109 1.00 0.00 N ATOM 1470 CA GLU A 99 -4.886 -4.161 -13.235 1.00 0.00 C ATOM 1471 C GLU A 99 -5.289 -2.698 -13.359 1.00 0.00 C ATOM 1472 O GLU A 99 -6.192 -2.356 -14.120 1.00 0.00 O ATOM 1473 CB GLU A 99 -5.200 -4.885 -14.539 1.00 0.00 C ATOM 1474 CG GLU A 99 -5.051 -6.394 -14.448 1.00 0.00 C ATOM 1475 CD GLU A 99 -5.134 -7.072 -15.800 1.00 0.00 C ATOM 1476 OE1 GLU A 99 -5.753 -6.492 -16.717 1.00 0.00 O ATOM 1477 OE2 GLU A 99 -4.577 -8.180 -15.944 1.00 0.00 O ATOM 0 H GLU A 99 -6.464 -5.216 -12.325 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.815 -4.189 -13.036 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -6.220 -4.647 -14.841 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -4.540 -4.510 -15.321 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.094 -6.633 -13.984 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -5.829 -6.793 -13.797 1.00 0.00 H new ATOM 1484 N ARG A 100 -4.584 -1.831 -12.638 1.00 0.00 N ATOM 1485 CA ARG A 100 -4.847 -0.396 -12.688 1.00 0.00 C ATOM 1486 C ARG A 100 -4.434 0.174 -14.042 1.00 0.00 C ATOM 1487 O ARG A 100 -3.637 -0.427 -14.762 1.00 0.00 O ATOM 1488 CB ARG A 100 -4.073 0.322 -11.581 1.00 0.00 C ATOM 1489 CG ARG A 100 -2.570 0.306 -11.808 1.00 0.00 C ATOM 1490 CD ARG A 100 -1.998 1.707 -11.956 1.00 0.00 C ATOM 1491 NE ARG A 100 -1.162 1.815 -13.149 1.00 0.00 N ATOM 1492 CZ ARG A 100 -0.195 2.713 -13.308 1.00 0.00 C ATOM 1493 NH1 ARG A 100 0.057 3.604 -12.359 1.00 0.00 N ATOM 1494 NH2 ARG A 100 0.522 2.723 -14.423 1.00 0.00 N ATOM 0 H ARG A 100 -3.825 -2.098 -12.011 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.916 -0.239 -12.543 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.415 1.355 -11.516 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.296 -0.149 -10.624 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.083 -0.197 -10.973 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.345 -0.273 -12.704 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.812 2.430 -12.013 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.410 1.957 -11.073 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.332 1.158 -13.910 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -0.493 3.603 -11.500 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.801 4.290 -12.488 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.331 2.042 -15.158 1.00 0.00 H new ATOM 0 HH22 ARG A 100 1.264 3.412 -14.546 1.00 0.00 H new