USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 519 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 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.047) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.0694 K(o=-0.069,f=-0.62) USER MOD Single : A 22 GLN : amide:sc= -3.17 K(o=-3.2,f=-6.1!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -1.54 K(o=-1.5,f=-0.95) USER MOD Single : A 28 GLN : amide:sc=-0.00958 X(o=-0.0096,f=-0.031) USER MOD Single : A 32 GLN : amide:sc= -0.483 K(o=-0.48,f=-2.5) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 49:sc= 0.131 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.185 USER MOD Single : A 51 HIS : no HE2:sc= -4.84! K(o=-4.8!,f=-3.3) USER MOD Single : A 58 ASN : amide:sc= -3.4! C(o=-3.4!,f=-6.9!) USER MOD Single : A 60 GLN : amide:sc= -0.43 K(o=-0.43,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -66:sc= 0.901 USER MOD Single : A 69 GLN : amide:sc= -2.5 K(o=-2.5,f=-3.9!) USER MOD Single : A 73 TYR OH : rot -102:sc= -0.464 USER MOD Single : A 74 SER OG : rot 42:sc= 0.917 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 144 N ASP A 10 6.683 -6.273 5.536 1.00 0.00 N ATOM 145 CA ASP A 10 5.712 -5.531 4.751 1.00 0.00 C ATOM 146 C ASP A 10 5.452 -4.178 5.414 1.00 0.00 C ATOM 147 O ASP A 10 6.089 -3.839 6.411 1.00 0.00 O ATOM 148 CB ASP A 10 4.380 -6.280 4.670 1.00 0.00 C ATOM 149 CG ASP A 10 4.059 -7.159 5.880 1.00 0.00 C ATOM 150 OD1 ASP A 10 4.618 -8.276 5.936 1.00 0.00 O ATOM 151 OD2 ASP A 10 3.261 -6.695 6.723 1.00 0.00 O ATOM 0 HA ASP A 10 6.117 -5.405 3.747 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.578 -5.552 4.545 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.385 -6.905 3.777 1.00 0.00 H new ATOM 156 N GLN A 11 4.516 -3.440 4.836 1.00 0.00 N ATOM 157 CA GLN A 11 4.164 -2.131 5.360 1.00 0.00 C ATOM 158 C GLN A 11 2.827 -1.667 4.778 1.00 0.00 C ATOM 159 O GLN A 11 2.606 -1.760 3.571 1.00 0.00 O ATOM 160 CB GLN A 11 5.269 -1.111 5.073 1.00 0.00 C ATOM 161 CG GLN A 11 5.078 0.154 5.912 1.00 0.00 C ATOM 162 CD GLN A 11 5.629 1.383 5.184 1.00 0.00 C ATOM 163 OE1 GLN A 11 6.815 1.671 5.208 1.00 0.00 O ATOM 164 NE2 GLN A 11 4.705 2.088 4.537 1.00 0.00 N ATOM 0 H GLN A 11 3.990 -3.724 4.009 1.00 0.00 H new ATOM 0 HA GLN A 11 4.059 -2.211 6.442 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.242 -1.552 5.290 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.265 -0.853 4.014 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.019 0.297 6.125 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.583 0.038 6.871 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.729 1.791 4.558 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.972 2.926 4.020 1.00 0.00 H new ATOM 173 N VAL A 12 1.971 -1.180 5.663 1.00 0.00 N ATOM 174 CA VAL A 12 0.661 -0.703 5.253 1.00 0.00 C ATOM 175 C VAL A 12 0.744 0.791 4.934 1.00 0.00 C ATOM 176 O VAL A 12 1.740 1.442 5.247 1.00 0.00 O ATOM 177 CB VAL A 12 -0.376 -1.026 6.331 1.00 0.00 C ATOM 178 CG1 VAL A 12 -1.753 -1.267 5.712 1.00 0.00 C ATOM 179 CG2 VAL A 12 0.065 -2.226 7.172 1.00 0.00 C ATOM 0 H VAL A 12 2.159 -1.105 6.663 1.00 0.00 H new ATOM 0 HA VAL A 12 0.337 -1.213 4.346 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.453 -0.163 6.992 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.471 -1.495 6.500 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.073 -0.373 5.177 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.698 -2.106 5.018 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.689 -2.435 7.931 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.184 -3.098 6.528 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.015 -2.001 7.657 1.00 0.00 H new ATOM 189 N LEU A 13 -0.315 1.291 4.313 1.00 0.00 N ATOM 190 CA LEU A 13 -0.374 2.696 3.949 1.00 0.00 C ATOM 191 C LEU A 13 -1.836 3.119 3.797 1.00 0.00 C ATOM 192 O LEU A 13 -2.671 2.331 3.356 1.00 0.00 O ATOM 193 CB LEU A 13 0.475 2.963 2.704 1.00 0.00 C ATOM 194 CG LEU A 13 -0.204 2.693 1.359 1.00 0.00 C ATOM 195 CD1 LEU A 13 -0.509 4.002 0.627 1.00 0.00 C ATOM 196 CD2 LEU A 13 0.633 1.740 0.504 1.00 0.00 C ATOM 0 H LEU A 13 -1.138 0.748 4.053 1.00 0.00 H new ATOM 0 HA LEU A 13 0.056 3.312 4.739 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.796 4.004 2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.375 2.351 2.764 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.158 2.201 1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.991 3.782 -0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.173 4.614 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.420 4.543 0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.128 1.565 -0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.612 2.182 0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.756 0.793 1.029 1.00 0.00 H new ATOM 208 N GLU A 14 -2.102 4.361 4.173 1.00 0.00 N ATOM 209 CA GLU A 14 -3.449 4.898 4.084 1.00 0.00 C ATOM 210 C GLU A 14 -3.607 5.730 2.810 1.00 0.00 C ATOM 211 O GLU A 14 -2.841 6.662 2.574 1.00 0.00 O ATOM 212 CB GLU A 14 -3.792 5.725 5.325 1.00 0.00 C ATOM 213 CG GLU A 14 -2.601 6.581 5.761 1.00 0.00 C ATOM 214 CD GLU A 14 -3.070 7.880 6.419 1.00 0.00 C ATOM 215 OE1 GLU A 14 -4.060 8.448 5.910 1.00 0.00 O ATOM 216 OE2 GLU A 14 -2.427 8.276 7.415 1.00 0.00 O ATOM 0 H GLU A 14 -1.407 5.011 4.540 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.149 4.064 4.038 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.647 6.367 5.114 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.085 5.062 6.139 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.981 6.019 6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.979 6.811 4.896 1.00 0.00 H new ATOM 223 N ILE A 15 -4.607 5.361 2.022 1.00 0.00 N ATOM 224 CA ILE A 15 -4.875 6.061 0.777 1.00 0.00 C ATOM 225 C ILE A 15 -6.235 6.755 0.870 1.00 0.00 C ATOM 226 O ILE A 15 -7.148 6.254 1.523 1.00 0.00 O ATOM 227 CB ILE A 15 -4.752 5.106 -0.412 1.00 0.00 C ATOM 228 CG1 ILE A 15 -3.371 4.448 -0.446 1.00 0.00 C ATOM 229 CG2 ILE A 15 -5.079 5.821 -1.725 1.00 0.00 C ATOM 230 CD1 ILE A 15 -3.456 3.024 -0.998 1.00 0.00 C ATOM 0 H ILE A 15 -5.241 4.587 2.222 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.130 6.839 0.610 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.485 4.309 -0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.697 5.041 -1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.949 4.428 0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.984 5.120 -2.554 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.099 6.202 -1.687 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.387 6.650 -1.870 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.461 2.579 -1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.112 2.427 -0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.856 3.050 -2.012 1.00 0.00 H new ATOM 242 N VAL A 16 -6.327 7.898 0.206 1.00 0.00 N ATOM 243 CA VAL A 16 -7.560 8.667 0.206 1.00 0.00 C ATOM 244 C VAL A 16 -7.849 9.160 -1.213 1.00 0.00 C ATOM 245 O VAL A 16 -7.352 10.208 -1.622 1.00 0.00 O ATOM 246 CB VAL A 16 -7.470 9.802 1.228 1.00 0.00 C ATOM 247 CG1 VAL A 16 -8.790 10.570 1.313 1.00 0.00 C ATOM 248 CG2 VAL A 16 -7.054 9.273 2.602 1.00 0.00 C ATOM 0 H VAL A 16 -5.567 8.310 -0.336 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.400 8.042 0.509 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.700 10.496 0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.698 11.371 2.047 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.026 10.996 0.338 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.587 9.891 1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.998 10.101 3.309 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.789 8.548 2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.078 8.793 2.527 1.00 0.00 H new ATOM 258 N PRO A 17 -8.672 8.361 -1.943 1.00 0.00 N ATOM 259 CA PRO A 17 -9.032 8.706 -3.308 1.00 0.00 C ATOM 260 C PRO A 17 -10.055 9.843 -3.334 1.00 0.00 C ATOM 261 O PRO A 17 -10.441 10.360 -2.287 1.00 0.00 O ATOM 262 CB PRO A 17 -9.562 7.416 -3.912 1.00 0.00 C ATOM 263 CG PRO A 17 -9.913 6.518 -2.738 1.00 0.00 C ATOM 264 CD PRO A 17 -9.278 7.113 -1.491 1.00 0.00 C ATOM 0 HA PRO A 17 -8.187 9.082 -3.884 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.437 7.607 -4.533 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.813 6.948 -4.551 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -10.994 6.449 -2.620 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.546 5.506 -2.908 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.022 7.292 -0.715 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.532 6.441 -1.068 1.00 0.00 H new ATOM 272 N SER A 18 -10.466 10.198 -4.542 1.00 0.00 N ATOM 273 CA SER A 18 -11.438 11.264 -4.719 1.00 0.00 C ATOM 274 C SER A 18 -12.223 11.048 -6.014 1.00 0.00 C ATOM 275 O SER A 18 -13.445 11.179 -6.033 1.00 0.00 O ATOM 276 CB SER A 18 -10.756 12.633 -4.734 1.00 0.00 C ATOM 277 OG SER A 18 -11.640 13.675 -4.326 1.00 0.00 O ATOM 0 H SER A 18 -10.144 9.767 -5.408 1.00 0.00 H new ATOM 0 HA SER A 18 -12.128 11.241 -3.876 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.889 12.613 -4.073 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.387 12.843 -5.738 1.00 0.00 H new ATOM 0 HG SER A 18 -11.167 14.533 -4.347 1.00 0.00 H new ATOM 283 N ASN A 19 -11.487 10.720 -7.067 1.00 0.00 N ATOM 284 CA ASN A 19 -12.098 10.485 -8.363 1.00 0.00 C ATOM 285 C ASN A 19 -12.079 8.986 -8.667 1.00 0.00 C ATOM 286 O ASN A 19 -11.575 8.194 -7.871 1.00 0.00 O ATOM 287 CB ASN A 19 -11.329 11.201 -9.474 1.00 0.00 C ATOM 288 CG ASN A 19 -11.875 12.614 -9.694 1.00 0.00 C ATOM 289 OD1 ASN A 19 -13.071 12.847 -9.730 1.00 0.00 O ATOM 290 ND2 ASN A 19 -10.932 13.541 -9.841 1.00 0.00 N ATOM 0 H ASN A 19 -10.473 10.612 -7.048 1.00 0.00 H new ATOM 0 HA ASN A 19 -13.118 10.866 -8.327 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.271 11.252 -9.215 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -11.403 10.630 -10.399 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.194 14.515 -9.995 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.947 13.278 -9.800 1.00 0.00 H new ATOM 297 N GLU A 20 -12.634 8.640 -9.819 1.00 0.00 N ATOM 298 CA GLU A 20 -12.687 7.249 -10.238 1.00 0.00 C ATOM 299 C GLU A 20 -11.391 6.861 -10.954 1.00 0.00 C ATOM 300 O GLU A 20 -11.064 5.680 -11.054 1.00 0.00 O ATOM 301 CB GLU A 20 -13.903 6.990 -11.128 1.00 0.00 C ATOM 302 CG GLU A 20 -15.161 6.767 -10.286 1.00 0.00 C ATOM 303 CD GLU A 20 -15.981 8.053 -10.172 1.00 0.00 C ATOM 304 OE1 GLU A 20 -16.658 8.385 -11.170 1.00 0.00 O ATOM 305 OE2 GLU A 20 -15.913 8.676 -9.091 1.00 0.00 O ATOM 0 H GLU A 20 -13.051 9.299 -10.476 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.790 6.626 -9.349 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.055 7.836 -11.798 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.721 6.117 -11.754 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.769 5.983 -10.736 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.880 6.421 -9.291 1.00 0.00 H new ATOM 312 N GLU A 21 -10.689 7.878 -11.432 1.00 0.00 N ATOM 313 CA GLU A 21 -9.438 7.658 -12.135 1.00 0.00 C ATOM 314 C GLU A 21 -8.401 7.040 -11.193 1.00 0.00 C ATOM 315 O GLU A 21 -7.900 5.946 -11.448 1.00 0.00 O ATOM 316 CB GLU A 21 -8.915 8.960 -12.746 1.00 0.00 C ATOM 317 CG GLU A 21 -7.418 8.864 -13.046 1.00 0.00 C ATOM 318 CD GLU A 21 -7.136 7.775 -14.084 1.00 0.00 C ATOM 319 OE1 GLU A 21 -7.471 6.608 -13.788 1.00 0.00 O ATOM 320 OE2 GLU A 21 -6.590 8.135 -15.149 1.00 0.00 O ATOM 0 H GLU A 21 -10.964 8.857 -11.346 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.621 6.960 -12.952 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.460 9.179 -13.664 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.100 9.787 -12.061 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.055 9.824 -13.413 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.873 8.646 -12.128 1.00 0.00 H new ATOM 327 N GLN A 22 -8.111 7.769 -10.125 1.00 0.00 N ATOM 328 CA GLN A 22 -7.143 7.307 -9.145 1.00 0.00 C ATOM 329 C GLN A 22 -7.598 5.978 -8.537 1.00 0.00 C ATOM 330 O GLN A 22 -6.772 5.145 -8.167 1.00 0.00 O ATOM 331 CB GLN A 22 -6.919 8.359 -8.057 1.00 0.00 C ATOM 332 CG GLN A 22 -6.536 9.707 -8.670 1.00 0.00 C ATOM 333 CD GLN A 22 -7.765 10.601 -8.844 1.00 0.00 C ATOM 334 OE1 GLN A 22 -8.238 10.844 -9.943 1.00 0.00 O ATOM 335 NE2 GLN A 22 -8.256 11.073 -7.702 1.00 0.00 N ATOM 0 H GLN A 22 -8.529 8.676 -9.917 1.00 0.00 H new ATOM 0 HA GLN A 22 -6.191 7.147 -9.651 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -7.825 8.470 -7.461 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -6.132 8.026 -7.380 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.807 10.206 -8.032 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.058 9.548 -9.637 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.811 10.830 -6.817 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -9.077 11.678 -7.711 1.00 0.00 H new ATOM 344 N ILE A 23 -8.911 5.821 -8.451 1.00 0.00 N ATOM 345 CA ILE A 23 -9.485 4.609 -7.895 1.00 0.00 C ATOM 346 C ILE A 23 -9.360 3.474 -8.914 1.00 0.00 C ATOM 347 O ILE A 23 -8.980 2.358 -8.563 1.00 0.00 O ATOM 348 CB ILE A 23 -10.921 4.860 -7.429 1.00 0.00 C ATOM 349 CG1 ILE A 23 -10.942 5.632 -6.108 1.00 0.00 C ATOM 350 CG2 ILE A 23 -11.706 3.550 -7.341 1.00 0.00 C ATOM 351 CD1 ILE A 23 -12.351 6.135 -5.789 1.00 0.00 C ATOM 0 H ILE A 23 -9.594 6.514 -8.758 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.934 4.302 -7.006 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.418 5.483 -8.173 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.590 4.989 -5.301 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.255 6.476 -6.165 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.723 3.757 -7.008 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.735 3.077 -8.322 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.220 2.882 -6.630 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.338 6.680 -4.845 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.690 6.797 -6.586 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.031 5.287 -5.708 1.00 0.00 H new ATOM 363 N LYS A 24 -9.685 3.799 -10.157 1.00 0.00 N ATOM 364 CA LYS A 24 -9.612 2.822 -11.230 1.00 0.00 C ATOM 365 C LYS A 24 -8.158 2.386 -11.419 1.00 0.00 C ATOM 366 O LYS A 24 -7.890 1.359 -12.040 1.00 0.00 O ATOM 367 CB LYS A 24 -10.259 3.374 -12.502 1.00 0.00 C ATOM 368 CG LYS A 24 -9.716 2.666 -13.744 1.00 0.00 C ATOM 369 CD LYS A 24 -10.361 3.219 -15.017 1.00 0.00 C ATOM 370 CE LYS A 24 -10.572 2.112 -16.051 1.00 0.00 C ATOM 371 NZ LYS A 24 -10.347 2.630 -17.419 1.00 0.00 N ATOM 0 H LYS A 24 -10.000 4.726 -10.445 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.182 1.929 -10.972 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.340 3.246 -12.449 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.068 4.445 -12.576 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.635 2.793 -13.795 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.908 1.596 -13.670 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.318 3.681 -14.773 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.729 4.000 -15.439 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.890 1.286 -15.852 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.584 1.717 -15.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.494 1.865 -18.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.015 3.403 -17.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.373 2.986 -17.500 1.00 0.00 H new ATOM 385 N ASN A 25 -7.256 3.187 -10.871 1.00 0.00 N ATOM 386 CA ASN A 25 -5.836 2.896 -10.971 1.00 0.00 C ATOM 387 C ASN A 25 -5.472 1.804 -9.963 1.00 0.00 C ATOM 388 O ASN A 25 -4.592 0.985 -10.222 1.00 0.00 O ATOM 389 CB ASN A 25 -4.997 4.135 -10.650 1.00 0.00 C ATOM 390 CG ASN A 25 -4.695 4.936 -11.919 1.00 0.00 C ATOM 391 OD1 ASN A 25 -3.816 4.606 -12.698 1.00 0.00 O ATOM 392 ND2 ASN A 25 -5.472 6.003 -12.082 1.00 0.00 N ATOM 0 H ASN A 25 -7.481 4.038 -10.356 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.628 2.574 -11.991 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.529 4.764 -9.936 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.063 3.834 -10.175 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.351 6.602 -12.898 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.189 6.222 -11.391 1.00 0.00 H new ATOM 399 N LEU A 26 -6.166 1.829 -8.835 1.00 0.00 N ATOM 400 CA LEU A 26 -5.927 0.850 -7.788 1.00 0.00 C ATOM 401 C LEU A 26 -6.366 -0.532 -8.276 1.00 0.00 C ATOM 402 O LEU A 26 -5.620 -1.502 -8.159 1.00 0.00 O ATOM 403 CB LEU A 26 -6.600 1.285 -6.484 1.00 0.00 C ATOM 404 CG LEU A 26 -5.747 2.136 -5.540 1.00 0.00 C ATOM 405 CD1 LEU A 26 -6.454 2.344 -4.200 1.00 0.00 C ATOM 406 CD2 LEU A 26 -4.353 1.529 -5.364 1.00 0.00 C ATOM 0 H LEU A 26 -6.894 2.512 -8.623 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.862 0.785 -7.564 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.501 1.846 -6.733 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.919 0.392 -5.947 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.616 3.120 -5.991 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.827 2.952 -3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.404 2.851 -4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.636 1.377 -3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.767 2.153 -4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.443 0.526 -4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.855 1.475 -6.332 1.00 0.00 H new ATOM 418 N LEU A 27 -7.577 -0.577 -8.812 1.00 0.00 N ATOM 419 CA LEU A 27 -8.126 -1.824 -9.317 1.00 0.00 C ATOM 420 C LEU A 27 -7.138 -2.446 -10.306 1.00 0.00 C ATOM 421 O LEU A 27 -6.734 -3.596 -10.144 1.00 0.00 O ATOM 422 CB LEU A 27 -9.521 -1.596 -9.902 1.00 0.00 C ATOM 423 CG LEU A 27 -10.682 -1.645 -8.906 1.00 0.00 C ATOM 424 CD1 LEU A 27 -11.462 -0.328 -8.909 1.00 0.00 C ATOM 425 CD2 LEU A 27 -11.588 -2.848 -9.177 1.00 0.00 C ATOM 0 H LEU A 27 -8.193 0.230 -8.908 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.259 -2.540 -8.506 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.532 -0.624 -10.395 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.697 -2.346 -10.673 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.268 -1.773 -7.906 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.282 -0.389 -8.193 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.797 0.489 -8.631 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.864 -0.145 -9.906 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.404 -2.859 -8.455 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.996 -2.776 -10.185 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.010 -3.767 -9.084 1.00 0.00 H new ATOM 437 N GLN A 28 -6.779 -1.658 -11.309 1.00 0.00 N ATOM 438 CA GLN A 28 -5.846 -2.118 -12.324 1.00 0.00 C ATOM 439 C GLN A 28 -4.559 -2.627 -11.671 1.00 0.00 C ATOM 440 O GLN A 28 -3.956 -3.588 -12.147 1.00 0.00 O ATOM 441 CB GLN A 28 -5.547 -1.009 -13.336 1.00 0.00 C ATOM 442 CG GLN A 28 -5.277 -1.593 -14.724 1.00 0.00 C ATOM 443 CD GLN A 28 -3.871 -1.230 -15.207 1.00 0.00 C ATOM 444 OE1 GLN A 28 -3.481 -0.075 -15.253 1.00 0.00 O ATOM 445 NE2 GLN A 28 -3.135 -2.279 -15.563 1.00 0.00 N ATOM 0 H GLN A 28 -7.117 -0.705 -11.441 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.306 -2.945 -12.865 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.390 -0.319 -13.385 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.683 -0.433 -13.005 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.387 -2.677 -14.694 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.017 -1.217 -15.431 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.524 -3.220 -15.500 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.182 -2.143 -15.899 1.00 0.00 H new ATOM 454 N LEU A 29 -4.177 -1.960 -10.593 1.00 0.00 N ATOM 455 CA LEU A 29 -2.972 -2.333 -9.870 1.00 0.00 C ATOM 456 C LEU A 29 -3.171 -3.709 -9.232 1.00 0.00 C ATOM 457 O LEU A 29 -2.478 -4.665 -9.579 1.00 0.00 O ATOM 458 CB LEU A 29 -2.589 -1.241 -8.870 1.00 0.00 C ATOM 459 CG LEU A 29 -1.627 -1.661 -7.756 1.00 0.00 C ATOM 460 CD1 LEU A 29 -0.248 -2.005 -8.322 1.00 0.00 C ATOM 461 CD2 LEU A 29 -1.547 -0.588 -6.667 1.00 0.00 C ATOM 0 H LEU A 29 -4.680 -1.163 -10.202 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.127 -2.418 -10.554 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.139 -0.414 -9.419 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.501 -0.860 -8.411 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.019 -2.565 -7.290 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.416 -2.300 -7.509 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.341 -2.827 -9.031 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.165 -1.133 -8.829 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.857 -0.911 -5.888 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.191 0.346 -7.102 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.536 -0.434 -6.235 1.00 0.00 H new ATOM 473 N GLU A 30 -4.122 -3.767 -8.311 1.00 0.00 N ATOM 474 CA GLU A 30 -4.421 -5.011 -7.622 1.00 0.00 C ATOM 475 C GLU A 30 -4.547 -6.158 -8.627 1.00 0.00 C ATOM 476 O GLU A 30 -4.358 -7.322 -8.274 1.00 0.00 O ATOM 477 CB GLU A 30 -5.690 -4.880 -6.779 1.00 0.00 C ATOM 478 CG GLU A 30 -5.632 -5.793 -5.552 1.00 0.00 C ATOM 479 CD GLU A 30 -7.021 -6.327 -5.199 1.00 0.00 C ATOM 480 OE1 GLU A 30 -7.767 -6.641 -6.152 1.00 0.00 O ATOM 481 OE2 GLU A 30 -7.306 -6.411 -3.985 1.00 0.00 O ATOM 0 H GLU A 30 -4.695 -2.973 -8.026 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.596 -5.235 -6.945 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.814 -3.845 -6.461 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.560 -5.134 -7.384 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.957 -6.626 -5.746 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.224 -5.243 -4.704 1.00 0.00 H new ATOM 488 N ALA A 31 -4.866 -5.790 -9.860 1.00 0.00 N ATOM 489 CA ALA A 31 -5.020 -6.773 -10.918 1.00 0.00 C ATOM 490 C ALA A 31 -3.649 -7.354 -11.272 1.00 0.00 C ATOM 491 O ALA A 31 -3.504 -8.566 -11.421 1.00 0.00 O ATOM 492 CB ALA A 31 -5.707 -6.125 -12.121 1.00 0.00 C ATOM 0 H ALA A 31 -5.022 -4.824 -10.149 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.652 -7.597 -10.587 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.823 -6.863 -12.915 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.688 -5.755 -11.824 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.100 -5.295 -12.483 1.00 0.00 H new ATOM 498 N GLN A 32 -2.679 -6.461 -11.398 1.00 0.00 N ATOM 499 CA GLN A 32 -1.325 -6.869 -11.732 1.00 0.00 C ATOM 500 C GLN A 32 -0.898 -8.054 -10.863 1.00 0.00 C ATOM 501 O GLN A 32 -0.577 -7.883 -9.687 1.00 0.00 O ATOM 502 CB GLN A 32 -0.348 -5.701 -11.583 1.00 0.00 C ATOM 503 CG GLN A 32 -0.221 -4.921 -12.894 1.00 0.00 C ATOM 504 CD GLN A 32 0.521 -5.744 -13.950 1.00 0.00 C ATOM 505 OE1 GLN A 32 0.880 -6.891 -13.742 1.00 0.00 O ATOM 506 NE2 GLN A 32 0.729 -5.095 -15.093 1.00 0.00 N ATOM 0 H GLN A 32 -2.804 -5.456 -11.275 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.308 -7.184 -12.776 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.690 -5.035 -10.791 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.630 -6.077 -11.283 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.212 -4.658 -13.263 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.311 -3.986 -12.716 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.402 -4.135 -15.201 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.215 -5.558 -15.861 1.00 0.00 H new ATOM 584 N LEU A 37 -1.725 -6.924 -4.810 1.00 0.00 N ATOM 585 CA LEU A 37 -1.955 -6.231 -3.554 1.00 0.00 C ATOM 586 C LEU A 37 -3.296 -6.678 -2.968 1.00 0.00 C ATOM 587 O LEU A 37 -4.110 -7.284 -3.663 1.00 0.00 O ATOM 588 CB LEU A 37 -1.843 -4.718 -3.748 1.00 0.00 C ATOM 589 CG LEU A 37 -0.513 -4.210 -4.310 1.00 0.00 C ATOM 590 CD1 LEU A 37 -0.739 -3.094 -5.331 1.00 0.00 C ATOM 591 CD2 LEU A 37 0.427 -3.775 -3.184 1.00 0.00 C ATOM 0 HA LEU A 37 -1.186 -6.494 -2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.643 -4.397 -4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.017 -4.235 -2.787 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.028 -5.033 -4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.222 -2.751 -5.714 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.344 -3.472 -6.155 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.256 -2.262 -4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.365 -3.418 -3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.039 -2.974 -2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.626 -4.623 -2.528 1.00 0.00 H new ATOM 603 N ASP A 38 -3.484 -6.361 -1.695 1.00 0.00 N ATOM 604 CA ASP A 38 -4.713 -6.723 -1.008 1.00 0.00 C ATOM 605 C ASP A 38 -5.256 -5.500 -0.268 1.00 0.00 C ATOM 606 O ASP A 38 -4.642 -5.021 0.685 1.00 0.00 O ATOM 607 CB ASP A 38 -4.463 -7.827 0.022 1.00 0.00 C ATOM 608 CG ASP A 38 -5.650 -8.759 0.271 1.00 0.00 C ATOM 609 OD1 ASP A 38 -6.522 -8.818 -0.623 1.00 0.00 O ATOM 610 OD2 ASP A 38 -5.658 -9.392 1.349 1.00 0.00 O ATOM 0 H ASP A 38 -2.807 -5.858 -1.122 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.424 -7.079 -1.753 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.614 -8.425 -0.308 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.179 -7.364 0.967 1.00 0.00 H new ATOM 615 N PHE A 39 -6.403 -5.028 -0.733 1.00 0.00 N ATOM 616 CA PHE A 39 -7.037 -3.869 -0.128 1.00 0.00 C ATOM 617 C PHE A 39 -7.895 -4.278 1.072 1.00 0.00 C ATOM 618 O PHE A 39 -8.754 -5.151 0.957 1.00 0.00 O ATOM 619 CB PHE A 39 -7.939 -3.244 -1.194 1.00 0.00 C ATOM 620 CG PHE A 39 -7.182 -2.694 -2.404 1.00 0.00 C ATOM 621 CD1 PHE A 39 -5.994 -2.055 -2.230 1.00 0.00 C ATOM 622 CD2 PHE A 39 -7.696 -2.844 -3.654 1.00 0.00 C ATOM 623 CE1 PHE A 39 -5.291 -1.544 -3.354 1.00 0.00 C ATOM 624 CE2 PHE A 39 -6.993 -2.334 -4.778 1.00 0.00 C ATOM 625 CZ PHE A 39 -5.806 -1.695 -4.603 1.00 0.00 C ATOM 0 H PHE A 39 -6.910 -5.428 -1.523 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.277 -3.170 0.222 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -8.654 -3.993 -1.535 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.515 -2.437 -0.741 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.585 -1.936 -1.238 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.639 -3.351 -3.792 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.348 -1.036 -3.216 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.401 -2.454 -5.771 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.271 -1.307 -5.457 1.00 0.00 H new ATOM 635 N TRP A 40 -7.631 -3.627 2.196 1.00 0.00 N ATOM 636 CA TRP A 40 -8.369 -3.912 3.416 1.00 0.00 C ATOM 637 C TRP A 40 -9.821 -3.481 3.202 1.00 0.00 C ATOM 638 O TRP A 40 -10.736 -4.297 3.306 1.00 0.00 O ATOM 639 CB TRP A 40 -7.716 -3.236 4.622 1.00 0.00 C ATOM 640 CG TRP A 40 -6.528 -4.008 5.202 1.00 0.00 C ATOM 641 CD1 TRP A 40 -5.888 -5.057 4.669 1.00 0.00 C ATOM 642 CD2 TRP A 40 -5.861 -3.746 6.454 1.00 0.00 C ATOM 643 NE1 TRP A 40 -4.861 -5.491 5.484 1.00 0.00 N ATOM 644 CE2 TRP A 40 -4.845 -4.668 6.604 1.00 0.00 C ATOM 645 CE3 TRP A 40 -6.109 -2.764 7.429 1.00 0.00 C ATOM 646 CZ2 TRP A 40 -3.996 -4.697 7.716 1.00 0.00 C ATOM 647 CZ3 TRP A 40 -5.251 -2.807 8.535 1.00 0.00 C ATOM 648 CH2 TRP A 40 -4.224 -3.728 8.700 1.00 0.00 C ATOM 0 H TRP A 40 -6.917 -2.904 2.288 1.00 0.00 H new ATOM 0 HA TRP A 40 -8.352 -4.979 3.637 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -7.381 -2.240 4.330 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -8.466 -3.104 5.402 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.143 -5.507 3.721 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.231 -6.271 5.298 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.899 -2.034 7.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.207 -5.428 7.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.398 -2.073 9.314 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.604 -3.696 9.584 1.00 0.00 H new ATOM 659 N LYS A 41 -9.987 -2.200 2.907 1.00 0.00 N ATOM 660 CA LYS A 41 -11.313 -1.650 2.679 1.00 0.00 C ATOM 661 C LYS A 41 -11.694 -1.847 1.210 1.00 0.00 C ATOM 662 O LYS A 41 -11.379 -2.876 0.615 1.00 0.00 O ATOM 663 CB LYS A 41 -11.376 -0.193 3.141 1.00 0.00 C ATOM 664 CG LYS A 41 -12.787 0.175 3.602 1.00 0.00 C ATOM 665 CD LYS A 41 -12.763 0.796 5.000 1.00 0.00 C ATOM 666 CE LYS A 41 -14.182 1.007 5.531 1.00 0.00 C ATOM 667 NZ LYS A 41 -14.145 1.564 6.902 1.00 0.00 N ATOM 0 H LYS A 41 -9.225 -1.527 2.821 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.054 -2.181 3.276 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.670 -0.036 3.957 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.073 0.464 2.326 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.233 0.876 2.896 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.416 -0.715 3.607 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.209 0.149 5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.237 1.750 4.969 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.726 1.683 4.872 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.721 0.060 5.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.116 1.701 7.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.644 0.905 7.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.649 2.478 6.892 1.00 0.00 H new ATOM 681 N SER A 42 -12.369 -0.843 0.668 1.00 0.00 N ATOM 682 CA SER A 42 -12.797 -0.892 -0.719 1.00 0.00 C ATOM 683 C SER A 42 -12.561 0.463 -1.388 1.00 0.00 C ATOM 684 O SER A 42 -13.381 1.371 -1.266 1.00 0.00 O ATOM 685 CB SER A 42 -14.272 -1.287 -0.827 1.00 0.00 C ATOM 686 OG SER A 42 -15.087 -0.558 0.087 1.00 0.00 O ATOM 0 H SER A 42 -12.630 0.009 1.165 1.00 0.00 H new ATOM 0 HA SER A 42 -12.207 -1.651 -1.232 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.621 -1.111 -1.844 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.377 -2.355 -0.634 1.00 0.00 H new ATOM 0 HG SER A 42 -14.880 0.398 0.020 1.00 0.00 H new ATOM 692 N PRO A 43 -11.406 0.558 -2.100 1.00 0.00 N ATOM 693 CA PRO A 43 -11.050 1.788 -2.788 1.00 0.00 C ATOM 694 C PRO A 43 -11.887 1.967 -4.058 1.00 0.00 C ATOM 695 O PRO A 43 -11.793 2.993 -4.727 1.00 0.00 O ATOM 696 CB PRO A 43 -9.563 1.664 -3.072 1.00 0.00 C ATOM 697 CG PRO A 43 -9.236 0.184 -2.950 1.00 0.00 C ATOM 698 CD PRO A 43 -10.411 -0.497 -2.267 1.00 0.00 C ATOM 0 HA PRO A 43 -11.256 2.677 -2.192 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.324 2.036 -4.068 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.980 2.252 -2.364 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.062 -0.251 -3.934 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.323 0.041 -2.372 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.800 -1.316 -2.872 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.119 -0.921 -1.306 1.00 0.00 H new ATOM 706 N THR A 44 -12.688 0.951 -4.348 1.00 0.00 N ATOM 707 CA THR A 44 -13.541 0.984 -5.524 1.00 0.00 C ATOM 708 C THR A 44 -14.271 2.325 -5.617 1.00 0.00 C ATOM 709 O THR A 44 -14.571 2.799 -6.711 1.00 0.00 O ATOM 710 CB THR A 44 -14.483 -0.219 -5.457 1.00 0.00 C ATOM 711 OG1 THR A 44 -13.777 -1.253 -6.140 1.00 0.00 O ATOM 712 CG2 THR A 44 -15.749 -0.018 -6.294 1.00 0.00 C ATOM 0 H THR A 44 -12.764 0.101 -3.789 1.00 0.00 H new ATOM 0 HA THR A 44 -12.956 0.906 -6.440 1.00 0.00 H new ATOM 0 HB THR A 44 -14.759 -0.406 -4.419 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.316 -2.071 -6.142 1.00 0.00 H new ATOM 0 HG21 THR A 44 -16.383 -0.901 -6.212 1.00 0.00 H new ATOM 0 HG22 THR A 44 -16.292 0.854 -5.929 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.475 0.136 -7.338 1.00 0.00 H new ATOM 720 N THR A 45 -14.536 2.898 -4.452 1.00 0.00 N ATOM 721 CA THR A 45 -15.226 4.176 -4.387 1.00 0.00 C ATOM 722 C THR A 45 -14.451 5.157 -3.505 1.00 0.00 C ATOM 723 O THR A 45 -13.678 4.743 -2.642 1.00 0.00 O ATOM 724 CB THR A 45 -16.654 3.918 -3.901 1.00 0.00 C ATOM 725 OG1 THR A 45 -16.510 3.709 -2.499 1.00 0.00 O ATOM 726 CG2 THR A 45 -17.219 2.594 -4.420 1.00 0.00 C ATOM 0 H THR A 45 -14.286 2.501 -3.546 1.00 0.00 H new ATOM 0 HA THR A 45 -15.282 4.646 -5.369 1.00 0.00 H new ATOM 0 HB THR A 45 -17.300 4.737 -4.219 1.00 0.00 H new ATOM 0 HG1 THR A 45 -17.389 3.536 -2.102 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.234 2.460 -4.046 1.00 0.00 H new ATOM 0 HG22 THR A 45 -17.233 2.607 -5.510 1.00 0.00 H new ATOM 0 HG23 THR A 45 -16.593 1.771 -4.075 1.00 0.00 H new ATOM 734 N PRO A 46 -14.693 6.470 -3.758 1.00 0.00 N ATOM 735 CA PRO A 46 -14.026 7.513 -2.995 1.00 0.00 C ATOM 736 C PRO A 46 -14.627 7.637 -1.594 1.00 0.00 C ATOM 737 O PRO A 46 -15.375 6.765 -1.156 1.00 0.00 O ATOM 738 CB PRO A 46 -14.193 8.775 -3.827 1.00 0.00 C ATOM 739 CG PRO A 46 -15.338 8.494 -4.787 1.00 0.00 C ATOM 740 CD PRO A 46 -15.602 6.997 -4.770 1.00 0.00 C ATOM 0 HA PRO A 46 -12.971 7.300 -2.824 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.416 9.633 -3.194 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.277 9.009 -4.370 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -16.231 9.043 -4.488 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -15.083 8.825 -5.794 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.641 6.781 -4.520 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.410 6.550 -5.746 1.00 0.00 H new ATOM 748 N GLY A 47 -14.275 8.729 -0.929 1.00 0.00 N ATOM 749 CA GLY A 47 -14.770 8.978 0.415 1.00 0.00 C ATOM 750 C GLY A 47 -14.508 7.778 1.327 1.00 0.00 C ATOM 751 O GLY A 47 -15.147 7.633 2.367 1.00 0.00 O ATOM 0 H GLY A 47 -13.654 9.450 -1.296 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.286 9.864 0.826 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.839 9.186 0.380 1.00 0.00 H new ATOM 755 N GLU A 48 -13.565 6.949 0.904 1.00 0.00 N ATOM 756 CA GLU A 48 -13.210 5.766 1.670 1.00 0.00 C ATOM 757 C GLU A 48 -11.694 5.555 1.648 1.00 0.00 C ATOM 758 O GLU A 48 -11.091 5.475 0.580 1.00 0.00 O ATOM 759 CB GLU A 48 -13.943 4.531 1.143 1.00 0.00 C ATOM 760 CG GLU A 48 -13.212 3.930 -0.060 1.00 0.00 C ATOM 761 CD GLU A 48 -12.136 2.940 0.390 1.00 0.00 C ATOM 762 OE1 GLU A 48 -12.495 2.023 1.159 1.00 0.00 O ATOM 763 OE2 GLU A 48 -10.978 3.123 -0.045 1.00 0.00 O ATOM 0 H GLU A 48 -13.036 7.073 0.041 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.521 5.919 2.703 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.022 3.786 1.934 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -14.959 4.802 0.857 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.927 3.425 -0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.755 4.726 -0.648 1.00 0.00 H new ATOM 770 N THR A 49 -11.124 5.471 2.840 1.00 0.00 N ATOM 771 CA THR A 49 -9.690 5.270 2.972 1.00 0.00 C ATOM 772 C THR A 49 -9.339 3.794 2.780 1.00 0.00 C ATOM 773 O THR A 49 -10.107 2.913 3.167 1.00 0.00 O ATOM 774 CB THR A 49 -9.258 5.827 4.331 1.00 0.00 C ATOM 775 OG1 THR A 49 -10.321 5.466 5.208 1.00 0.00 O ATOM 776 CG2 THR A 49 -9.252 7.356 4.361 1.00 0.00 C ATOM 0 H THR A 49 -11.628 5.538 3.724 1.00 0.00 H new ATOM 0 HA THR A 49 -9.142 5.805 2.196 1.00 0.00 H new ATOM 0 HB THR A 49 -8.263 5.455 4.576 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.122 5.787 6.112 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.938 7.699 5.347 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.559 7.732 3.608 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.254 7.728 4.149 1.00 0.00 H new ATOM 784 N ALA A 50 -8.178 3.568 2.184 1.00 0.00 N ATOM 785 CA ALA A 50 -7.714 2.213 1.936 1.00 0.00 C ATOM 786 C ALA A 50 -6.466 1.943 2.779 1.00 0.00 C ATOM 787 O ALA A 50 -5.731 2.869 3.120 1.00 0.00 O ATOM 788 CB ALA A 50 -7.459 2.026 0.439 1.00 0.00 C ATOM 0 H ALA A 50 -7.544 4.301 1.865 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.473 1.488 2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.111 1.010 0.253 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.383 2.199 -0.112 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.701 2.735 0.108 1.00 0.00 H new ATOM 794 N HIS A 51 -6.264 0.671 3.090 1.00 0.00 N ATOM 795 CA HIS A 51 -5.117 0.268 3.886 1.00 0.00 C ATOM 796 C HIS A 51 -4.681 -1.141 3.481 1.00 0.00 C ATOM 797 O HIS A 51 -5.211 -2.129 3.986 1.00 0.00 O ATOM 798 CB HIS A 51 -5.425 0.386 5.381 1.00 0.00 C ATOM 799 CG HIS A 51 -6.443 1.450 5.716 1.00 0.00 C ATOM 800 ND1 HIS A 51 -7.691 1.156 6.237 1.00 0.00 N ATOM 801 CD2 HIS A 51 -6.384 2.808 5.600 1.00 0.00 C ATOM 802 CE1 HIS A 51 -8.346 2.293 6.422 1.00 0.00 C ATOM 803 NE2 HIS A 51 -7.534 3.315 6.026 1.00 0.00 N ATOM 0 H HIS A 51 -6.875 -0.094 2.805 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.281 0.940 3.692 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.787 -0.576 5.744 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.500 0.601 5.916 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -8.046 0.222 6.444 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.544 3.374 5.225 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.346 2.393 6.817 1.00 0.00 H new ATOM 812 N VAL A 52 -3.718 -1.187 2.571 1.00 0.00 N ATOM 813 CA VAL A 52 -3.203 -2.460 2.091 1.00 0.00 C ATOM 814 C VAL A 52 -1.783 -2.662 2.622 1.00 0.00 C ATOM 815 O VAL A 52 -1.018 -1.706 2.741 1.00 0.00 O ATOM 816 CB VAL A 52 -3.287 -2.515 0.565 1.00 0.00 C ATOM 817 CG1 VAL A 52 -3.133 -1.119 -0.043 1.00 0.00 C ATOM 818 CG2 VAL A 52 -2.244 -3.479 -0.006 1.00 0.00 C ATOM 0 H VAL A 52 -3.281 -0.365 2.154 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.809 -3.285 2.465 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.274 -2.891 0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.196 -1.186 -1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.927 -0.471 0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.165 -0.704 0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.324 -3.500 -1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.246 -3.145 0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.418 -4.479 0.390 1.00 0.00 H new ATOM 828 N ARG A 53 -1.472 -3.914 2.924 1.00 0.00 N ATOM 829 CA ARG A 53 -0.156 -4.255 3.438 1.00 0.00 C ATOM 830 C ARG A 53 0.813 -4.518 2.284 1.00 0.00 C ATOM 831 O ARG A 53 1.048 -5.667 1.916 1.00 0.00 O ATOM 832 CB ARG A 53 -0.219 -5.494 4.334 1.00 0.00 C ATOM 833 CG ARG A 53 -0.910 -6.655 3.617 1.00 0.00 C ATOM 834 CD ARG A 53 -0.221 -7.983 3.935 1.00 0.00 C ATOM 835 NE ARG A 53 0.976 -8.149 3.081 1.00 0.00 N ATOM 836 CZ ARG A 53 1.553 -9.330 2.817 1.00 0.00 C ATOM 837 NH1 ARG A 53 1.047 -10.455 3.341 1.00 0.00 N ATOM 838 NH2 ARG A 53 2.637 -9.385 2.031 1.00 0.00 N ATOM 0 H ARG A 53 -2.108 -4.705 2.823 1.00 0.00 H new ATOM 0 HA ARG A 53 0.198 -3.410 4.029 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.789 -5.789 4.623 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.757 -5.257 5.252 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.956 -6.703 3.919 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.896 -6.482 2.541 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.065 -8.011 4.986 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.912 -8.809 3.771 1.00 0.00 H new ATOM 0 HE ARG A 53 1.388 -7.313 2.667 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.223 -10.413 3.941 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.486 -11.354 3.140 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.023 -8.528 1.634 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.076 -10.283 1.830 1.00 0.00 H new ATOM 852 N VAL A 54 1.350 -3.433 1.744 1.00 0.00 N ATOM 853 CA VAL A 54 2.288 -3.531 0.640 1.00 0.00 C ATOM 854 C VAL A 54 3.687 -3.812 1.189 1.00 0.00 C ATOM 855 O VAL A 54 4.059 -3.301 2.243 1.00 0.00 O ATOM 856 CB VAL A 54 2.224 -2.264 -0.215 1.00 0.00 C ATOM 857 CG1 VAL A 54 2.301 -1.010 0.658 1.00 0.00 C ATOM 858 CG2 VAL A 54 3.327 -2.263 -1.276 1.00 0.00 C ATOM 0 H VAL A 54 1.152 -2.481 2.052 1.00 0.00 H new ATOM 0 HA VAL A 54 2.023 -4.362 -0.014 1.00 0.00 H new ATOM 0 HB VAL A 54 1.264 -2.255 -0.730 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.253 -0.123 0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.465 -1.002 1.358 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.239 -1.010 1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.259 -1.352 -1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.301 -2.307 -0.788 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.207 -3.130 -1.926 1.00 0.00 H new ATOM 868 N PRO A 55 4.446 -4.648 0.429 1.00 0.00 N ATOM 869 CA PRO A 55 5.797 -5.003 0.829 1.00 0.00 C ATOM 870 C PRO A 55 6.765 -3.844 0.583 1.00 0.00 C ATOM 871 O PRO A 55 6.728 -3.213 -0.472 1.00 0.00 O ATOM 872 CB PRO A 55 6.135 -6.242 0.015 1.00 0.00 C ATOM 873 CG PRO A 55 5.149 -6.262 -1.142 1.00 0.00 C ATOM 874 CD PRO A 55 4.039 -5.273 -0.826 1.00 0.00 C ATOM 0 HA PRO A 55 5.879 -5.208 1.896 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.162 -6.203 -0.348 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.045 -7.144 0.621 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.647 -5.992 -2.073 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.741 -7.263 -1.278 1.00 0.00 H new ATOM 0 HD2 PRO A 55 3.930 -4.534 -1.619 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.077 -5.776 -0.724 1.00 0.00 H new ATOM 882 N PHE A 56 7.608 -3.599 1.574 1.00 0.00 N ATOM 883 CA PHE A 56 8.585 -2.526 1.479 1.00 0.00 C ATOM 884 C PHE A 56 9.341 -2.590 0.150 1.00 0.00 C ATOM 885 O PHE A 56 9.619 -1.559 -0.460 1.00 0.00 O ATOM 886 CB PHE A 56 9.576 -2.722 2.627 1.00 0.00 C ATOM 887 CG PHE A 56 10.307 -1.443 3.042 1.00 0.00 C ATOM 888 CD1 PHE A 56 9.663 -0.503 3.786 1.00 0.00 C ATOM 889 CD2 PHE A 56 11.599 -1.245 2.667 1.00 0.00 C ATOM 890 CE1 PHE A 56 10.341 0.684 4.171 1.00 0.00 C ATOM 891 CE2 PHE A 56 12.277 -0.058 3.052 1.00 0.00 C ATOM 892 CZ PHE A 56 11.633 0.881 3.796 1.00 0.00 C ATOM 0 H PHE A 56 7.636 -4.125 2.448 1.00 0.00 H new ATOM 0 HA PHE A 56 8.084 -1.559 1.535 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.043 -3.120 3.490 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.312 -3.471 2.334 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.637 -0.660 4.084 1.00 0.00 H new ATOM 0 HD2 PHE A 56 12.110 -1.991 2.076 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.830 1.430 4.762 1.00 0.00 H new ATOM 0 HE2 PHE A 56 13.303 0.099 2.754 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.148 1.784 4.089 1.00 0.00 H new ATOM 902 N VAL A 57 9.652 -3.812 -0.258 1.00 0.00 N ATOM 903 CA VAL A 57 10.372 -4.024 -1.502 1.00 0.00 C ATOM 904 C VAL A 57 9.491 -3.591 -2.676 1.00 0.00 C ATOM 905 O VAL A 57 9.991 -3.322 -3.767 1.00 0.00 O ATOM 906 CB VAL A 57 10.827 -5.481 -1.603 1.00 0.00 C ATOM 907 CG1 VAL A 57 9.698 -6.436 -1.209 1.00 0.00 C ATOM 908 CG2 VAL A 57 11.349 -5.798 -3.006 1.00 0.00 C ATOM 0 H VAL A 57 9.419 -4.665 0.251 1.00 0.00 H new ATOM 0 HA VAL A 57 11.274 -3.413 -1.529 1.00 0.00 H new ATOM 0 HB VAL A 57 11.648 -5.624 -0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.047 -7.465 -1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.394 -6.235 -0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.848 -6.288 -1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.666 -6.840 -3.050 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.557 -5.629 -3.736 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.197 -5.151 -3.234 1.00 0.00 H new ATOM 918 N ASN A 58 8.193 -3.537 -2.412 1.00 0.00 N ATOM 919 CA ASN A 58 7.237 -3.142 -3.432 1.00 0.00 C ATOM 920 C ASN A 58 6.529 -1.859 -2.992 1.00 0.00 C ATOM 921 O ASN A 58 5.526 -1.465 -3.584 1.00 0.00 O ATOM 922 CB ASN A 58 6.174 -4.222 -3.639 1.00 0.00 C ATOM 923 CG ASN A 58 5.473 -4.050 -4.988 1.00 0.00 C ATOM 924 OD1 ASN A 58 4.584 -3.230 -5.155 1.00 0.00 O ATOM 925 ND2 ASN A 58 5.920 -4.866 -5.938 1.00 0.00 N ATOM 0 H ASN A 58 7.782 -3.760 -1.506 1.00 0.00 H new ATOM 0 HA ASN A 58 7.782 -2.990 -4.364 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.637 -5.207 -3.589 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.440 -4.174 -2.835 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.516 -4.829 -6.874 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.667 -5.529 -5.731 1.00 0.00 H new ATOM 932 N VAL A 59 7.081 -1.243 -1.955 1.00 0.00 N ATOM 933 CA VAL A 59 6.513 -0.013 -1.428 1.00 0.00 C ATOM 934 C VAL A 59 6.894 1.151 -2.346 1.00 0.00 C ATOM 935 O VAL A 59 6.151 2.127 -2.457 1.00 0.00 O ATOM 936 CB VAL A 59 6.966 0.193 0.018 1.00 0.00 C ATOM 937 CG1 VAL A 59 7.077 1.682 0.350 1.00 0.00 C ATOM 938 CG2 VAL A 59 6.024 -0.517 0.993 1.00 0.00 C ATOM 0 H VAL A 59 7.914 -1.572 -1.467 1.00 0.00 H new ATOM 0 HA VAL A 59 5.425 -0.070 -1.409 1.00 0.00 H new ATOM 0 HB VAL A 59 7.956 -0.249 0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.401 1.801 1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.804 2.150 -0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.105 2.158 0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.368 -0.355 2.014 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.016 -0.117 0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.016 -1.586 0.778 1.00 0.00 H new ATOM 948 N GLN A 60 8.049 1.012 -2.979 1.00 0.00 N ATOM 949 CA GLN A 60 8.536 2.040 -3.883 1.00 0.00 C ATOM 950 C GLN A 60 7.678 2.085 -5.148 1.00 0.00 C ATOM 951 O GLN A 60 6.963 3.058 -5.384 1.00 0.00 O ATOM 952 CB GLN A 60 10.010 1.815 -4.227 1.00 0.00 C ATOM 953 CG GLN A 60 10.698 3.134 -4.582 1.00 0.00 C ATOM 954 CD GLN A 60 10.660 4.107 -3.402 1.00 0.00 C ATOM 955 OE1 GLN A 60 10.632 3.720 -2.245 1.00 0.00 O ATOM 956 NE2 GLN A 60 10.658 5.389 -3.757 1.00 0.00 N ATOM 0 H GLN A 60 8.662 0.203 -2.884 1.00 0.00 H new ATOM 0 HA GLN A 60 8.458 3.004 -3.381 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.518 1.352 -3.381 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.090 1.122 -5.065 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.732 2.943 -4.868 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.207 3.584 -5.445 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.683 5.645 -4.744 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.632 6.116 -3.042 1.00 0.00 H new ATOM 965 N ALA A 61 7.776 1.019 -5.930 1.00 0.00 N ATOM 966 CA ALA A 61 7.018 0.924 -7.164 1.00 0.00 C ATOM 967 C ALA A 61 5.580 1.381 -6.911 1.00 0.00 C ATOM 968 O ALA A 61 4.958 1.995 -7.778 1.00 0.00 O ATOM 969 CB ALA A 61 7.090 -0.507 -7.700 1.00 0.00 C ATOM 0 H ALA A 61 8.370 0.214 -5.731 1.00 0.00 H new ATOM 0 HA ALA A 61 7.442 1.578 -7.926 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.520 -0.578 -8.627 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.130 -0.772 -7.892 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.671 -1.193 -6.964 1.00 0.00 H new ATOM 975 N VAL A 62 5.092 1.062 -5.722 1.00 0.00 N ATOM 976 CA VAL A 62 3.739 1.432 -5.343 1.00 0.00 C ATOM 977 C VAL A 62 3.692 2.929 -5.035 1.00 0.00 C ATOM 978 O VAL A 62 2.750 3.617 -5.426 1.00 0.00 O ATOM 979 CB VAL A 62 3.267 0.566 -4.175 1.00 0.00 C ATOM 980 CG1 VAL A 62 1.921 1.055 -3.637 1.00 0.00 C ATOM 981 CG2 VAL A 62 3.191 -0.909 -4.580 1.00 0.00 C ATOM 0 H VAL A 62 5.610 0.551 -5.007 1.00 0.00 H new ATOM 0 HA VAL A 62 3.048 1.248 -6.166 1.00 0.00 H new ATOM 0 HB VAL A 62 4.001 0.657 -3.374 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.609 0.421 -2.807 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.020 2.084 -3.291 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.174 1.009 -4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.853 -1.503 -3.731 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.489 -1.024 -5.406 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.177 -1.252 -4.892 1.00 0.00 H new ATOM 991 N LYS A 63 4.719 3.390 -4.337 1.00 0.00 N ATOM 992 CA LYS A 63 4.806 4.794 -3.970 1.00 0.00 C ATOM 993 C LYS A 63 4.828 5.646 -5.240 1.00 0.00 C ATOM 994 O LYS A 63 4.302 6.759 -5.254 1.00 0.00 O ATOM 995 CB LYS A 63 6.002 5.034 -3.047 1.00 0.00 C ATOM 996 CG LYS A 63 6.563 6.445 -3.232 1.00 0.00 C ATOM 997 CD LYS A 63 7.468 6.833 -2.061 1.00 0.00 C ATOM 998 CE LYS A 63 6.653 7.420 -0.908 1.00 0.00 C ATOM 999 NZ LYS A 63 7.307 8.635 -0.376 1.00 0.00 N ATOM 0 H LYS A 63 5.499 2.816 -4.015 1.00 0.00 H new ATOM 0 HA LYS A 63 3.928 5.094 -3.398 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.699 4.892 -2.009 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.780 4.299 -3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.126 6.497 -4.164 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.743 7.158 -3.314 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.016 5.957 -1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.208 7.560 -2.395 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.648 7.662 -1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.549 6.679 -0.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.740 9.020 0.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.257 8.394 -0.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.384 9.346 -1.131 1.00 0.00 H new ATOM 1013 N VAL A 64 5.442 5.093 -6.276 1.00 0.00 N ATOM 1014 CA VAL A 64 5.539 5.790 -7.548 1.00 0.00 C ATOM 1015 C VAL A 64 4.189 5.722 -8.266 1.00 0.00 C ATOM 1016 O VAL A 64 3.811 6.655 -8.972 1.00 0.00 O ATOM 1017 CB VAL A 64 6.686 5.209 -8.376 1.00 0.00 C ATOM 1018 CG1 VAL A 64 6.538 5.577 -9.854 1.00 0.00 C ATOM 1019 CG2 VAL A 64 8.041 5.664 -7.831 1.00 0.00 C ATOM 0 H VAL A 64 5.877 4.171 -6.261 1.00 0.00 H new ATOM 0 HA VAL A 64 5.771 6.843 -7.390 1.00 0.00 H new ATOM 0 HB VAL A 64 6.640 4.123 -8.295 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.367 5.151 -10.420 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.597 5.181 -10.235 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.545 6.662 -9.961 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.839 5.237 -8.438 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.101 6.752 -7.866 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.150 5.328 -6.800 1.00 0.00 H new ATOM 1029 N PHE A 65 3.501 4.609 -8.060 1.00 0.00 N ATOM 1030 CA PHE A 65 2.202 4.407 -8.679 1.00 0.00 C ATOM 1031 C PHE A 65 1.187 5.432 -8.170 1.00 0.00 C ATOM 1032 O PHE A 65 0.567 6.144 -8.958 1.00 0.00 O ATOM 1033 CB PHE A 65 1.733 3.004 -8.287 1.00 0.00 C ATOM 1034 CG PHE A 65 0.512 2.516 -9.070 1.00 0.00 C ATOM 1035 CD1 PHE A 65 0.647 2.122 -10.365 1.00 0.00 C ATOM 1036 CD2 PHE A 65 -0.709 2.476 -8.472 1.00 0.00 C ATOM 1037 CE1 PHE A 65 -0.485 1.668 -11.091 1.00 0.00 C ATOM 1038 CE2 PHE A 65 -1.841 2.023 -9.198 1.00 0.00 C ATOM 1039 CZ PHE A 65 -1.705 1.629 -10.492 1.00 0.00 C ATOM 0 H PHE A 65 3.818 3.838 -7.473 1.00 0.00 H new ATOM 0 HA PHE A 65 2.283 4.522 -9.760 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.553 2.302 -8.438 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.497 2.995 -7.223 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.616 2.155 -10.841 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.817 2.789 -7.444 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.377 1.354 -12.119 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.810 1.991 -8.723 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.567 1.285 -11.045 1.00 0.00 H new ATOM 1049 N LEU A 66 1.047 5.475 -6.852 1.00 0.00 N ATOM 1050 CA LEU A 66 0.117 6.401 -6.228 1.00 0.00 C ATOM 1051 C LEU A 66 0.310 7.793 -6.830 1.00 0.00 C ATOM 1052 O LEU A 66 -0.637 8.388 -7.344 1.00 0.00 O ATOM 1053 CB LEU A 66 0.265 6.363 -4.706 1.00 0.00 C ATOM 1054 CG LEU A 66 -0.341 5.147 -4.002 1.00 0.00 C ATOM 1055 CD1 LEU A 66 0.574 4.647 -2.884 1.00 0.00 C ATOM 1056 CD2 LEU A 66 -1.752 5.453 -3.494 1.00 0.00 C ATOM 0 H LEU A 66 1.562 4.884 -6.200 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.912 6.105 -6.433 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.327 6.406 -4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.193 7.262 -4.294 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.429 4.341 -4.730 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.119 3.782 -2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.539 4.362 -3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.718 5.439 -2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.159 4.572 -2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.712 6.282 -2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.391 5.724 -4.335 1.00 0.00 H new ATOM 1068 N GLU A 67 1.542 8.274 -6.747 1.00 0.00 N ATOM 1069 CA GLU A 67 1.871 9.586 -7.278 1.00 0.00 C ATOM 1070 C GLU A 67 1.509 9.665 -8.763 1.00 0.00 C ATOM 1071 O GLU A 67 0.934 10.654 -9.214 1.00 0.00 O ATOM 1072 CB GLU A 67 3.349 9.913 -7.057 1.00 0.00 C ATOM 1073 CG GLU A 67 3.558 10.630 -5.721 1.00 0.00 C ATOM 1074 CD GLU A 67 4.012 12.075 -5.940 1.00 0.00 C ATOM 1075 OE1 GLU A 67 3.220 12.834 -6.540 1.00 0.00 O ATOM 1076 OE2 GLU A 67 5.140 12.387 -5.503 1.00 0.00 O ATOM 0 H GLU A 67 2.325 7.778 -6.320 1.00 0.00 H new ATOM 0 HA GLU A 67 1.283 10.330 -6.741 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.935 8.994 -7.076 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.712 10.540 -7.871 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.630 10.619 -5.149 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.303 10.096 -5.130 1.00 0.00 H new ATOM 1083 N SER A 68 1.860 8.608 -9.481 1.00 0.00 N ATOM 1084 CA SER A 68 1.580 8.544 -10.905 1.00 0.00 C ATOM 1085 C SER A 68 0.084 8.747 -11.154 1.00 0.00 C ATOM 1086 O SER A 68 -0.305 9.468 -12.072 1.00 0.00 O ATOM 1087 CB SER A 68 2.040 7.212 -11.499 1.00 0.00 C ATOM 1088 OG SER A 68 1.026 6.214 -11.422 1.00 0.00 O ATOM 0 H SER A 68 2.336 7.789 -9.103 1.00 0.00 H new ATOM 0 HA SER A 68 2.136 9.341 -11.398 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.325 7.359 -12.541 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.929 6.867 -10.971 1.00 0.00 H new ATOM 0 HG SER A 68 0.859 5.989 -10.483 1.00 0.00 H new ATOM 1094 N GLN A 69 -0.715 8.100 -10.319 1.00 0.00 N ATOM 1095 CA GLN A 69 -2.160 8.200 -10.435 1.00 0.00 C ATOM 1096 C GLN A 69 -2.659 9.483 -9.769 1.00 0.00 C ATOM 1097 O GLN A 69 -3.861 9.659 -9.575 1.00 0.00 O ATOM 1098 CB GLN A 69 -2.845 6.969 -9.839 1.00 0.00 C ATOM 1099 CG GLN A 69 -2.497 6.812 -8.357 1.00 0.00 C ATOM 1100 CD GLN A 69 -3.341 5.713 -7.709 1.00 0.00 C ATOM 1101 OE1 GLN A 69 -4.545 5.832 -7.549 1.00 0.00 O ATOM 1102 NE2 GLN A 69 -2.645 4.640 -7.345 1.00 0.00 N ATOM 0 H GLN A 69 -0.389 7.504 -9.558 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.418 8.240 -11.493 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.925 7.057 -9.955 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.538 6.077 -10.385 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.439 6.573 -8.252 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.663 7.756 -7.839 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.639 4.605 -7.508 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.117 3.852 -6.903 1.00 0.00 H new ATOM 1111 N GLY A 70 -1.710 10.346 -9.436 1.00 0.00 N ATOM 1112 CA GLY A 70 -2.039 11.608 -8.794 1.00 0.00 C ATOM 1113 C GLY A 70 -3.019 11.397 -7.639 1.00 0.00 C ATOM 1114 O GLY A 70 -4.070 12.035 -7.588 1.00 0.00 O ATOM 0 H GLY A 70 -0.714 10.197 -9.598 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.129 12.079 -8.422 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.474 12.289 -9.525 1.00 0.00 H new ATOM 1118 N ILE A 71 -2.642 10.498 -6.741 1.00 0.00 N ATOM 1119 CA ILE A 71 -3.476 10.196 -5.590 1.00 0.00 C ATOM 1120 C ILE A 71 -2.802 10.728 -4.324 1.00 0.00 C ATOM 1121 O ILE A 71 -1.668 11.204 -4.373 1.00 0.00 O ATOM 1122 CB ILE A 71 -3.791 8.700 -5.536 1.00 0.00 C ATOM 1123 CG1 ILE A 71 -4.940 8.416 -4.567 1.00 0.00 C ATOM 1124 CG2 ILE A 71 -2.540 7.887 -5.196 1.00 0.00 C ATOM 1125 CD1 ILE A 71 -5.666 7.122 -4.938 1.00 0.00 C ATOM 0 H ILE A 71 -1.771 9.969 -6.787 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.439 10.699 -5.674 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.120 8.385 -6.526 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.553 8.341 -3.551 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.644 9.248 -4.579 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.792 6.827 -5.164 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.778 8.056 -5.957 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.157 8.198 -4.224 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.478 6.945 -4.232 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.073 7.209 -5.945 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.965 6.288 -4.901 1.00 0.00 H new ATOM 1137 N ALA A 72 -3.527 10.630 -3.220 1.00 0.00 N ATOM 1138 CA ALA A 72 -3.015 11.096 -1.942 1.00 0.00 C ATOM 1139 C ALA A 72 -3.061 9.950 -0.930 1.00 0.00 C ATOM 1140 O ALA A 72 -4.132 9.427 -0.629 1.00 0.00 O ATOM 1141 CB ALA A 72 -3.818 12.313 -1.482 1.00 0.00 C ATOM 0 H ALA A 72 -4.466 10.234 -3.184 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.975 11.410 -2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.433 12.662 -0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.727 13.109 -2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.867 12.037 -1.373 1.00 0.00 H new ATOM 1147 N TYR A 73 -1.886 9.593 -0.435 1.00 0.00 N ATOM 1148 CA TYR A 73 -1.779 8.518 0.537 1.00 0.00 C ATOM 1149 C TYR A 73 -0.894 8.930 1.715 1.00 0.00 C ATOM 1150 O TYR A 73 -0.547 10.101 1.857 1.00 0.00 O ATOM 1151 CB TYR A 73 -1.119 7.349 -0.196 1.00 0.00 C ATOM 1152 CG TYR A 73 0.055 7.757 -1.088 1.00 0.00 C ATOM 1153 CD1 TYR A 73 -0.169 8.516 -2.220 1.00 0.00 C ATOM 1154 CD2 TYR A 73 1.338 7.368 -0.761 1.00 0.00 C ATOM 1155 CE1 TYR A 73 0.937 8.900 -3.058 1.00 0.00 C ATOM 1156 CE2 TYR A 73 2.444 7.752 -1.599 1.00 0.00 C ATOM 1157 CZ TYR A 73 2.189 8.499 -2.707 1.00 0.00 C ATOM 1158 OH TYR A 73 3.232 8.863 -3.499 1.00 0.00 O ATOM 0 H TYR A 73 -0.999 10.029 -0.688 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.761 8.261 0.934 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.769 6.624 0.539 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.869 6.847 -0.807 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.173 8.821 -2.476 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.513 6.775 0.124 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.776 9.493 -3.946 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.453 7.454 -1.354 1.00 0.00 H new ATOM 0 HH TYR A 73 3.504 8.101 -4.053 1.00 0.00 H new ATOM 1168 N SER A 74 -0.552 7.943 2.532 1.00 0.00 N ATOM 1169 CA SER A 74 0.286 8.188 3.693 1.00 0.00 C ATOM 1170 C SER A 74 0.782 6.860 4.269 1.00 0.00 C ATOM 1171 O SER A 74 0.301 5.795 3.887 1.00 0.00 O ATOM 1172 CB SER A 74 -0.471 8.980 4.761 1.00 0.00 C ATOM 1173 OG SER A 74 -0.309 10.387 4.597 1.00 0.00 O ATOM 0 H SER A 74 -0.841 6.972 2.412 1.00 0.00 H new ATOM 0 HA SER A 74 1.143 8.783 3.377 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.531 8.729 4.715 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.116 8.687 5.749 1.00 0.00 H new ATOM 0 HG SER A 74 -0.366 10.614 3.645 1.00 0.00 H new ATOM 1179 N ILE A 75 1.738 6.969 5.179 1.00 0.00 N ATOM 1180 CA ILE A 75 2.306 5.790 5.813 1.00 0.00 C ATOM 1181 C ILE A 75 1.657 5.591 7.184 1.00 0.00 C ATOM 1182 O ILE A 75 1.607 6.516 7.992 1.00 0.00 O ATOM 1183 CB ILE A 75 3.832 5.891 5.863 1.00 0.00 C ATOM 1184 CG1 ILE A 75 4.426 5.929 4.454 1.00 0.00 C ATOM 1185 CG2 ILE A 75 4.428 4.762 6.707 1.00 0.00 C ATOM 1186 CD1 ILE A 75 5.626 6.875 4.390 1.00 0.00 C ATOM 0 H ILE A 75 2.134 7.855 5.493 1.00 0.00 H new ATOM 0 HA ILE A 75 2.088 4.899 5.225 1.00 0.00 H new ATOM 0 HB ILE A 75 4.097 6.830 6.348 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.733 4.926 4.158 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.665 6.252 3.743 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.514 4.857 6.727 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.040 4.824 7.724 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.155 3.800 6.273 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.029 6.883 3.377 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.310 7.882 4.663 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.395 6.535 5.084 1.00 0.00 H new ATOM 1198 N MET A 76 1.176 4.376 7.404 1.00 0.00 N ATOM 1199 CA MET A 76 0.531 4.043 8.663 1.00 0.00 C ATOM 1200 C MET A 76 1.535 3.446 9.651 1.00 0.00 C ATOM 1201 O MET A 76 1.862 4.068 10.661 1.00 0.00 O ATOM 1202 CB MET A 76 -0.595 3.039 8.411 1.00 0.00 C ATOM 1203 CG MET A 76 -1.718 3.205 9.437 1.00 0.00 C ATOM 1204 SD MET A 76 -1.064 3.041 11.090 1.00 0.00 S ATOM 1205 CE MET A 76 -2.525 3.422 12.041 1.00 0.00 C ATOM 0 H MET A 76 1.220 3.610 6.732 1.00 0.00 H new ATOM 0 HA MET A 76 0.124 4.958 9.094 1.00 0.00 H new ATOM 0 HB2 MET A 76 -0.993 3.178 7.406 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.200 2.024 8.460 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.189 4.181 9.318 1.00 0.00 H new ATOM 0 HG3 MET A 76 -2.491 2.456 9.267 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.292 3.365 13.104 1.00 0.00 H new ATOM 0 HE2 MET A 76 -2.865 4.428 11.797 1.00 0.00 H new ATOM 0 HE3 MET A 76 -3.311 2.706 11.803 1.00 0.00 H new ATOM 1215 N ILE A 77 1.997 2.248 9.325 1.00 0.00 N ATOM 1216 CA ILE A 77 2.957 1.560 10.172 1.00 0.00 C ATOM 1217 C ILE A 77 4.253 1.336 9.390 1.00 0.00 C ATOM 1218 O ILE A 77 4.226 1.182 8.169 1.00 0.00 O ATOM 1219 CB ILE A 77 2.349 0.276 10.738 1.00 0.00 C ATOM 1220 CG1 ILE A 77 3.337 -0.435 11.666 1.00 0.00 C ATOM 1221 CG2 ILE A 77 1.860 -0.640 9.613 1.00 0.00 C ATOM 1222 CD1 ILE A 77 3.646 0.421 12.897 1.00 0.00 C ATOM 0 H ILE A 77 1.725 1.736 8.486 1.00 0.00 H new ATOM 0 HA ILE A 77 3.209 2.173 11.037 1.00 0.00 H new ATOM 0 HB ILE A 77 1.479 0.544 11.337 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.922 -1.393 11.980 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.260 -0.649 11.126 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.432 -1.546 10.042 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.101 -0.122 9.026 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.698 -0.904 8.969 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.350 -0.107 13.540 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.083 1.368 12.581 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.725 0.612 13.448 1.00 0.00 H new ATOM 1234 N GLU A 78 5.356 1.326 10.123 1.00 0.00 N ATOM 1235 CA GLU A 78 6.659 1.123 9.512 1.00 0.00 C ATOM 1236 C GLU A 78 7.407 -0.006 10.222 1.00 0.00 C ATOM 1237 O GLU A 78 6.798 -0.984 10.654 1.00 0.00 O ATOM 1238 CB GLU A 78 7.477 2.416 9.525 1.00 0.00 C ATOM 1239 CG GLU A 78 8.435 2.469 8.333 1.00 0.00 C ATOM 1240 CD GLU A 78 9.695 3.267 8.677 1.00 0.00 C ATOM 1241 OE1 GLU A 78 10.187 3.087 9.812 1.00 0.00 O ATOM 1242 OE2 GLU A 78 10.137 4.038 7.799 1.00 0.00 O ATOM 0 H GLU A 78 5.375 1.455 11.135 1.00 0.00 H new ATOM 0 HA GLU A 78 6.511 0.836 8.471 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.807 3.275 9.496 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.043 2.484 10.454 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.711 1.456 8.038 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.934 2.924 7.479 1.00 0.00 H new