USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 559 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 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -2.96! K(o=-3!,f=-1.7) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 27 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.13) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.0796 K(o=-0.08,f=-0.64) USER MOD Single : A 35 CYS SG : rot -27:sc= 0.214 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 37:sc= 0.894 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -132:sc= -4.89! (180deg=-5.11!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 98:sc= -2.35 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= 0.376 K(o=0.38,f=-1.3) USER MOD Single : A 68 MET CE :methyl -123:sc= -5.3! (180deg=-8.91!) USER MOD Single : A 69 ASN : amide:sc= -0.773 K(o=-0.77,f=0.016) USER MOD Single : A 72 LYS NZ :NH3+ 162:sc= -1.76! (180deg=-1.99!) USER MOD Single : A 76 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00361) USER MOD Single : A 79 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0764) USER MOD Single : A 81 ASN : amide:sc= -1.28 K(o=-1.3,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 163 N PRO A 8 -9.725 -0.279 -4.904 1.00 0.00 N ATOM 164 CA PRO A 8 -8.270 -0.100 -4.903 1.00 0.00 C ATOM 165 C PRO A 8 -7.527 -1.395 -4.596 1.00 0.00 C ATOM 166 O PRO A 8 -7.967 -2.192 -3.766 1.00 0.00 O ATOM 167 CB PRO A 8 -8.040 0.926 -3.791 1.00 0.00 C ATOM 168 CG PRO A 8 -9.207 0.767 -2.881 1.00 0.00 C ATOM 169 CD PRO A 8 -10.368 0.387 -3.759 1.00 0.00 C ATOM 0 HA PRO A 8 -7.897 0.217 -5.877 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.102 0.739 -3.268 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.986 1.938 -4.192 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.016 -0.002 -2.132 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.411 1.693 -2.343 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.061 -0.279 -3.244 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -10.939 1.261 -4.071 1.00 0.00 H new ATOM 177 N ARG A 9 -6.400 -1.600 -5.268 1.00 0.00 N ATOM 178 CA ARG A 9 -5.597 -2.801 -5.067 1.00 0.00 C ATOM 179 C ARG A 9 -4.122 -2.446 -4.906 1.00 0.00 C ATOM 180 O ARG A 9 -3.260 -3.326 -4.866 1.00 0.00 O ATOM 181 CB ARG A 9 -5.775 -3.762 -6.243 1.00 0.00 C ATOM 182 CG ARG A 9 -7.186 -4.315 -6.368 1.00 0.00 C ATOM 183 CD ARG A 9 -7.376 -5.064 -7.678 1.00 0.00 C ATOM 184 NE ARG A 9 -7.679 -4.161 -8.786 1.00 0.00 N ATOM 185 CZ ARG A 9 -8.858 -3.573 -8.952 1.00 0.00 C ATOM 186 NH1 ARG A 9 -9.840 -3.790 -8.088 1.00 0.00 N ATOM 187 NH2 ARG A 9 -9.057 -2.764 -9.985 1.00 0.00 N ATOM 0 H ARG A 9 -6.021 -0.950 -5.957 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.939 -3.288 -4.154 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.513 -3.246 -7.166 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.077 -4.592 -6.132 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.391 -4.984 -5.532 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.905 -3.498 -6.307 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.472 -5.628 -7.907 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.184 -5.787 -7.568 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.945 -3.972 -9.469 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.691 -4.411 -7.292 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.744 -3.336 -8.219 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.304 -2.594 -10.652 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.963 -2.313 -10.112 1.00 0.00 H new ATOM 201 N THR A 10 -3.835 -1.151 -4.814 1.00 0.00 N ATOM 202 CA THR A 10 -2.465 -0.680 -4.659 1.00 0.00 C ATOM 203 C THR A 10 -2.269 0.008 -3.312 1.00 0.00 C ATOM 204 O THR A 10 -3.105 0.803 -2.882 1.00 0.00 O ATOM 205 CB THR A 10 -2.077 0.298 -5.784 1.00 0.00 C ATOM 206 OG1 THR A 10 -2.602 -0.160 -7.034 1.00 0.00 O ATOM 207 CG2 THR A 10 -0.565 0.436 -5.882 1.00 0.00 C ATOM 0 H THR A 10 -4.535 -0.409 -4.844 1.00 0.00 H new ATOM 0 HA THR A 10 -1.821 -1.558 -4.712 1.00 0.00 H new ATOM 0 HB THR A 10 -2.501 1.275 -5.550 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.352 0.468 -7.744 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.314 1.131 -6.683 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.172 0.813 -4.938 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.124 -0.538 -6.095 1.00 0.00 H new ATOM 215 N LEU A 11 -1.159 -0.303 -2.651 1.00 0.00 N ATOM 216 CA LEU A 11 -0.853 0.287 -1.352 1.00 0.00 C ATOM 217 C LEU A 11 0.523 0.945 -1.364 1.00 0.00 C ATOM 218 O LEU A 11 1.449 0.460 -2.014 1.00 0.00 O ATOM 219 CB LEU A 11 -0.909 -0.783 -0.259 1.00 0.00 C ATOM 220 CG LEU A 11 -1.937 -1.896 -0.463 1.00 0.00 C ATOM 221 CD1 LEU A 11 -1.592 -3.103 0.396 1.00 0.00 C ATOM 222 CD2 LEU A 11 -3.337 -1.395 -0.143 1.00 0.00 C ATOM 0 H LEU A 11 -0.457 -0.959 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.600 1.053 -1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.078 -1.238 -0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.118 -0.292 0.692 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.913 -2.200 -1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.334 -3.886 0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.606 -3.477 0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.588 -2.813 1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.055 -2.201 -0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.376 -1.063 0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.584 -0.561 -0.800 1.00 0.00 H new ATOM 234 N TYR A 12 0.649 2.052 -0.640 1.00 0.00 N ATOM 235 CA TYR A 12 1.912 2.778 -0.568 1.00 0.00 C ATOM 236 C TYR A 12 2.664 2.436 0.716 1.00 0.00 C ATOM 237 O TYR A 12 2.127 2.564 1.816 1.00 0.00 O ATOM 238 CB TYR A 12 1.662 4.285 -0.640 1.00 0.00 C ATOM 239 CG TYR A 12 2.714 5.107 0.068 1.00 0.00 C ATOM 240 CD1 TYR A 12 2.637 5.342 1.436 1.00 0.00 C ATOM 241 CD2 TYR A 12 3.787 5.649 -0.630 1.00 0.00 C ATOM 242 CE1 TYR A 12 3.596 6.094 2.087 1.00 0.00 C ATOM 243 CE2 TYR A 12 4.751 6.401 0.013 1.00 0.00 C ATOM 244 CZ TYR A 12 4.651 6.621 1.372 1.00 0.00 C ATOM 245 OH TYR A 12 5.610 7.369 2.016 1.00 0.00 O ATOM 0 H TYR A 12 -0.107 2.466 -0.095 1.00 0.00 H new ATOM 0 HA TYR A 12 2.525 2.477 -1.418 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.619 4.588 -1.686 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.687 4.504 -0.204 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.813 4.930 2.000 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.868 5.479 -1.693 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.520 6.268 3.150 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.578 6.815 -0.545 1.00 0.00 H new ATOM 0 HH TYR A 12 6.284 7.664 1.369 1.00 0.00 H new ATOM 255 N VAL A 13 3.910 2.002 0.565 1.00 0.00 N ATOM 256 CA VAL A 13 4.738 1.642 1.710 1.00 0.00 C ATOM 257 C VAL A 13 5.834 2.677 1.942 1.00 0.00 C ATOM 258 O VAL A 13 6.685 2.898 1.082 1.00 0.00 O ATOM 259 CB VAL A 13 5.387 0.258 1.522 1.00 0.00 C ATOM 260 CG1 VAL A 13 6.146 -0.151 2.776 1.00 0.00 C ATOM 261 CG2 VAL A 13 4.332 -0.779 1.167 1.00 0.00 C ATOM 0 H VAL A 13 4.369 1.891 -0.339 1.00 0.00 H new ATOM 0 HA VAL A 13 4.080 1.611 2.578 1.00 0.00 H new ATOM 0 HB VAL A 13 6.099 0.318 0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.598 -1.131 2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.927 0.580 2.983 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.457 -0.195 3.620 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.807 -1.752 1.037 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.596 -0.838 1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.836 -0.491 0.240 1.00 0.00 H new ATOM 271 N GLY A 14 5.806 3.309 3.111 1.00 0.00 N ATOM 272 CA GLY A 14 6.802 4.312 3.436 1.00 0.00 C ATOM 273 C GLY A 14 7.508 4.027 4.746 1.00 0.00 C ATOM 274 O GLY A 14 7.037 3.225 5.550 1.00 0.00 O ATOM 0 H GLY A 14 5.111 3.144 3.839 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.538 4.361 2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.324 5.290 3.490 1.00 0.00 H new ATOM 278 N ASN A 15 8.644 4.683 4.961 1.00 0.00 N ATOM 279 CA ASN A 15 9.417 4.494 6.182 1.00 0.00 C ATOM 280 C ASN A 15 10.092 3.126 6.193 1.00 0.00 C ATOM 281 O ASN A 15 9.929 2.348 7.133 1.00 0.00 O ATOM 282 CB ASN A 15 8.515 4.639 7.410 1.00 0.00 C ATOM 283 CG ASN A 15 9.292 5.013 8.658 1.00 0.00 C ATOM 284 OD1 ASN A 15 9.358 6.183 9.035 1.00 0.00 O ATOM 285 ND2 ASN A 15 9.886 4.017 9.304 1.00 0.00 N ATOM 0 H ASN A 15 9.049 5.350 4.305 1.00 0.00 H new ATOM 0 HA ASN A 15 10.190 5.262 6.214 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.759 5.400 7.214 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.986 3.701 7.582 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.424 4.207 10.150 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.804 3.062 8.955 1.00 0.00 H new ATOM 292 N LEU A 16 10.851 2.840 5.141 1.00 0.00 N ATOM 293 CA LEU A 16 11.552 1.565 5.028 1.00 0.00 C ATOM 294 C LEU A 16 13.048 1.744 5.264 1.00 0.00 C ATOM 295 O LEU A 16 13.663 2.671 4.739 1.00 0.00 O ATOM 296 CB LEU A 16 11.312 0.949 3.648 1.00 0.00 C ATOM 297 CG LEU A 16 9.856 0.646 3.293 1.00 0.00 C ATOM 298 CD1 LEU A 16 9.698 0.481 1.789 1.00 0.00 C ATOM 299 CD2 LEU A 16 9.377 -0.601 4.022 1.00 0.00 C ATOM 0 H LEU A 16 10.997 3.473 4.354 1.00 0.00 H new ATOM 0 HA LEU A 16 11.160 0.894 5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.716 1.626 2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.882 0.022 3.582 1.00 0.00 H new ATOM 0 HG LEU A 16 9.241 1.487 3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.656 0.266 1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.000 1.401 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.325 -0.342 1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.339 -0.801 3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.995 -1.451 3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.453 -0.445 5.098 1.00 0.00 H new ATOM 311 N SER A 17 13.628 0.848 6.057 1.00 0.00 N ATOM 312 CA SER A 17 15.052 0.908 6.364 1.00 0.00 C ATOM 313 C SER A 17 15.888 0.784 5.094 1.00 0.00 C ATOM 314 O SER A 17 15.484 0.129 4.133 1.00 0.00 O ATOM 315 CB SER A 17 15.430 -0.203 7.346 1.00 0.00 C ATOM 316 OG SER A 17 16.641 0.100 8.018 1.00 0.00 O ATOM 0 H SER A 17 13.134 0.072 6.498 1.00 0.00 H new ATOM 0 HA SER A 17 15.259 1.875 6.822 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.630 -0.337 8.074 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.534 -1.146 6.810 1.00 0.00 H new ATOM 0 HG SER A 17 16.860 -0.624 8.641 1.00 0.00 H new ATOM 322 N ARG A 18 17.054 1.420 5.097 1.00 0.00 N ATOM 323 CA ARG A 18 17.947 1.384 3.945 1.00 0.00 C ATOM 324 C ARG A 18 18.221 -0.054 3.514 1.00 0.00 C ATOM 325 O ARG A 18 18.700 -0.300 2.407 1.00 0.00 O ATOM 326 CB ARG A 18 19.266 2.089 4.272 1.00 0.00 C ATOM 327 CG ARG A 18 19.246 3.581 3.983 1.00 0.00 C ATOM 328 CD ARG A 18 20.648 4.120 3.741 1.00 0.00 C ATOM 329 NE ARG A 18 20.629 5.386 3.015 1.00 0.00 N ATOM 330 CZ ARG A 18 21.726 6.039 2.647 1.00 0.00 C ATOM 331 NH1 ARG A 18 22.923 5.546 2.936 1.00 0.00 N ATOM 332 NH2 ARG A 18 21.628 7.187 1.988 1.00 0.00 N ATOM 0 H ARG A 18 17.403 1.967 5.884 1.00 0.00 H new ATOM 0 HA ARG A 18 17.458 1.905 3.122 1.00 0.00 H new ATOM 0 HB2 ARG A 18 19.500 1.934 5.325 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.068 1.627 3.697 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.624 3.775 3.109 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.791 4.109 4.821 1.00 0.00 H new ATOM 0 HD2 ARG A 18 21.153 4.258 4.697 1.00 0.00 H new ATOM 0 HD3 ARG A 18 21.226 3.387 3.177 1.00 0.00 H new ATOM 0 HE ARG A 18 19.724 5.792 2.777 1.00 0.00 H new ATOM 0 HH11 ARG A 18 23.003 4.664 3.442 1.00 0.00 H new ATOM 0 HH12 ARG A 18 23.764 6.049 2.652 1.00 0.00 H new ATOM 0 HH21 ARG A 18 20.709 7.569 1.763 1.00 0.00 H new ATOM 0 HH22 ARG A 18 22.471 7.687 1.706 1.00 0.00 H new ATOM 346 N ASP A 19 17.913 -0.999 4.395 1.00 0.00 N ATOM 347 CA ASP A 19 18.125 -2.412 4.106 1.00 0.00 C ATOM 348 C ASP A 19 16.930 -3.000 3.361 1.00 0.00 C ATOM 349 O ASP A 19 17.086 -3.872 2.507 1.00 0.00 O ATOM 350 CB ASP A 19 18.366 -3.189 5.402 1.00 0.00 C ATOM 351 CG ASP A 19 19.738 -2.926 5.988 1.00 0.00 C ATOM 352 OD1 ASP A 19 20.132 -1.743 6.070 1.00 0.00 O ATOM 353 OD2 ASP A 19 20.419 -3.901 6.367 1.00 0.00 O ATOM 0 H ASP A 19 17.516 -0.812 5.316 1.00 0.00 H new ATOM 0 HA ASP A 19 19.006 -2.499 3.470 1.00 0.00 H new ATOM 0 HB2 ASP A 19 17.604 -2.917 6.132 1.00 0.00 H new ATOM 0 HB3 ASP A 19 18.255 -4.256 5.208 1.00 0.00 H new ATOM 358 N VAL A 20 15.737 -2.515 3.692 1.00 0.00 N ATOM 359 CA VAL A 20 14.515 -2.992 3.054 1.00 0.00 C ATOM 360 C VAL A 20 14.673 -3.050 1.539 1.00 0.00 C ATOM 361 O VAL A 20 15.192 -2.118 0.920 1.00 0.00 O ATOM 362 CB VAL A 20 13.314 -2.092 3.400 1.00 0.00 C ATOM 363 CG1 VAL A 20 12.084 -2.518 2.614 1.00 0.00 C ATOM 364 CG2 VAL A 20 13.039 -2.123 4.896 1.00 0.00 C ATOM 0 H VAL A 20 15.591 -1.793 4.397 1.00 0.00 H new ATOM 0 HA VAL A 20 14.329 -3.996 3.436 1.00 0.00 H new ATOM 0 HB VAL A 20 13.557 -1.067 3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.246 -1.871 2.871 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.289 -2.439 1.546 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.835 -3.550 2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.187 -1.482 5.123 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.816 -3.145 5.204 1.00 0.00 H new ATOM 0 HG23 VAL A 20 13.916 -1.765 5.435 1.00 0.00 H new ATOM 374 N THR A 21 14.223 -4.149 0.943 1.00 0.00 N ATOM 375 CA THR A 21 14.313 -4.329 -0.500 1.00 0.00 C ATOM 376 C THR A 21 12.965 -4.726 -1.091 1.00 0.00 C ATOM 377 O THR A 21 12.047 -5.104 -0.365 1.00 0.00 O ATOM 378 CB THR A 21 15.356 -5.402 -0.867 1.00 0.00 C ATOM 379 OG1 THR A 21 15.277 -6.498 0.050 1.00 0.00 O ATOM 380 CG2 THR A 21 16.761 -4.818 -0.848 1.00 0.00 C ATOM 0 H THR A 21 13.792 -4.929 1.439 1.00 0.00 H new ATOM 0 HA THR A 21 14.622 -3.371 -0.919 1.00 0.00 H new ATOM 0 HB THR A 21 15.140 -5.757 -1.875 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.942 -7.176 -0.192 1.00 0.00 H new ATOM 0 HG21 THR A 21 17.481 -5.593 -1.110 1.00 0.00 H new ATOM 0 HG22 THR A 21 16.826 -4.003 -1.569 1.00 0.00 H new ATOM 0 HG23 THR A 21 16.984 -4.438 0.149 1.00 0.00 H new ATOM 388 N GLU A 22 12.854 -4.635 -2.413 1.00 0.00 N ATOM 389 CA GLU A 22 11.616 -4.984 -3.099 1.00 0.00 C ATOM 390 C GLU A 22 11.234 -6.437 -2.829 1.00 0.00 C ATOM 391 O GLU A 22 10.075 -6.745 -2.553 1.00 0.00 O ATOM 392 CB GLU A 22 11.761 -4.757 -4.606 1.00 0.00 C ATOM 393 CG GLU A 22 10.630 -5.358 -5.424 1.00 0.00 C ATOM 394 CD GLU A 22 10.911 -6.787 -5.845 1.00 0.00 C ATOM 395 OE1 GLU A 22 10.762 -7.694 -5.002 1.00 0.00 O ATOM 396 OE2 GLU A 22 11.282 -6.997 -7.019 1.00 0.00 O ATOM 0 H GLU A 22 13.605 -4.323 -3.029 1.00 0.00 H new ATOM 0 HA GLU A 22 10.825 -4.340 -2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.809 -3.686 -4.800 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.706 -5.184 -4.940 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.710 -5.329 -4.841 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.464 -4.747 -6.312 1.00 0.00 H new ATOM 403 N VAL A 23 12.219 -7.326 -2.910 1.00 0.00 N ATOM 404 CA VAL A 23 11.988 -8.746 -2.673 1.00 0.00 C ATOM 405 C VAL A 23 11.543 -8.999 -1.237 1.00 0.00 C ATOM 406 O VAL A 23 10.690 -9.850 -0.980 1.00 0.00 O ATOM 407 CB VAL A 23 13.252 -9.577 -2.961 1.00 0.00 C ATOM 408 CG1 VAL A 23 14.407 -9.111 -2.086 1.00 0.00 C ATOM 409 CG2 VAL A 23 12.977 -11.057 -2.751 1.00 0.00 C ATOM 0 H VAL A 23 13.184 -7.088 -3.138 1.00 0.00 H new ATOM 0 HA VAL A 23 11.196 -9.055 -3.355 1.00 0.00 H new ATOM 0 HB VAL A 23 13.533 -9.429 -4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 23 15.292 -9.709 -2.303 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.619 -8.062 -2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 23 14.138 -9.228 -1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.882 -11.628 -2.959 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.670 -11.227 -1.719 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.182 -11.378 -3.424 1.00 0.00 H new ATOM 419 N LEU A 24 12.124 -8.253 -0.304 1.00 0.00 N ATOM 420 CA LEU A 24 11.787 -8.395 1.108 1.00 0.00 C ATOM 421 C LEU A 24 10.326 -8.035 1.359 1.00 0.00 C ATOM 422 O LEU A 24 9.586 -8.800 1.979 1.00 0.00 O ATOM 423 CB LEU A 24 12.697 -7.508 1.961 1.00 0.00 C ATOM 424 CG LEU A 24 12.711 -7.807 3.460 1.00 0.00 C ATOM 425 CD1 LEU A 24 13.789 -6.992 4.158 1.00 0.00 C ATOM 426 CD2 LEU A 24 11.346 -7.525 4.073 1.00 0.00 C ATOM 0 H LEU A 24 12.831 -7.544 -0.500 1.00 0.00 H new ATOM 0 HA LEU A 24 11.938 -9.437 1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.716 -7.597 1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.395 -6.470 1.821 1.00 0.00 H new ATOM 0 HG LEU A 24 12.938 -8.864 3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.783 -7.219 5.224 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.763 -7.243 3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.594 -5.930 4.012 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.374 -7.743 5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.090 -6.476 3.924 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.595 -8.153 3.594 1.00 0.00 H new ATOM 438 N ILE A 25 9.918 -6.869 0.872 1.00 0.00 N ATOM 439 CA ILE A 25 8.545 -6.410 1.039 1.00 0.00 C ATOM 440 C ILE A 25 7.555 -7.405 0.443 1.00 0.00 C ATOM 441 O ILE A 25 6.568 -7.775 1.080 1.00 0.00 O ATOM 442 CB ILE A 25 8.327 -5.032 0.386 1.00 0.00 C ATOM 443 CG1 ILE A 25 9.118 -3.958 1.134 1.00 0.00 C ATOM 444 CG2 ILE A 25 6.847 -4.686 0.360 1.00 0.00 C ATOM 445 CD1 ILE A 25 8.492 -3.555 2.452 1.00 0.00 C ATOM 0 H ILE A 25 10.519 -6.224 0.358 1.00 0.00 H new ATOM 0 HA ILE A 25 8.370 -6.326 2.112 1.00 0.00 H new ATOM 0 HB ILE A 25 8.688 -5.073 -0.642 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.128 -4.324 1.317 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.209 -3.077 0.499 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.710 -3.709 -0.104 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.307 -5.440 -0.213 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.461 -4.660 1.379 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.106 -2.790 2.928 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.492 -3.159 2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.426 -4.425 3.105 1.00 0.00 H new ATOM 457 N LEU A 26 7.827 -7.837 -0.785 1.00 0.00 N ATOM 458 CA LEU A 26 6.962 -8.792 -1.468 1.00 0.00 C ATOM 459 C LEU A 26 6.836 -10.084 -0.666 1.00 0.00 C ATOM 460 O LEU A 26 5.785 -10.724 -0.665 1.00 0.00 O ATOM 461 CB LEU A 26 7.508 -9.096 -2.865 1.00 0.00 C ATOM 462 CG LEU A 26 7.202 -8.059 -3.945 1.00 0.00 C ATOM 463 CD1 LEU A 26 7.857 -8.450 -5.261 1.00 0.00 C ATOM 464 CD2 LEU A 26 5.699 -7.899 -4.121 1.00 0.00 C ATOM 0 H LEU A 26 8.639 -7.541 -1.327 1.00 0.00 H new ATOM 0 HA LEU A 26 5.972 -8.346 -1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.590 -9.209 -2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.108 -10.057 -3.188 1.00 0.00 H new ATOM 0 HG LEU A 26 7.614 -7.101 -3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.628 -7.700 -6.018 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.937 -8.512 -5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.476 -9.419 -5.583 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.500 -7.157 -4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.263 -8.854 -4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.255 -7.571 -3.181 1.00 0.00 H new ATOM 476 N GLN A 27 7.913 -10.459 0.015 1.00 0.00 N ATOM 477 CA GLN A 27 7.923 -11.673 0.822 1.00 0.00 C ATOM 478 C GLN A 27 6.971 -11.546 2.007 1.00 0.00 C ATOM 479 O GLN A 27 6.167 -12.442 2.269 1.00 0.00 O ATOM 480 CB GLN A 27 9.339 -11.970 1.318 1.00 0.00 C ATOM 481 CG GLN A 27 10.232 -12.607 0.266 1.00 0.00 C ATOM 482 CD GLN A 27 9.845 -14.040 -0.040 1.00 0.00 C ATOM 483 OE1 GLN A 27 10.342 -14.976 0.587 1.00 0.00 O ATOM 484 NE2 GLN A 27 8.952 -14.219 -1.006 1.00 0.00 N ATOM 0 H GLN A 27 8.791 -9.939 0.024 1.00 0.00 H new ATOM 0 HA GLN A 27 7.586 -12.499 0.196 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.798 -11.042 1.658 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.281 -12.632 2.182 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.184 -12.018 -0.650 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.266 -12.580 0.608 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.566 -13.414 -1.499 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.652 -15.162 -1.255 1.00 0.00 H new ATOM 493 N LEU A 28 7.069 -10.430 2.720 1.00 0.00 N ATOM 494 CA LEU A 28 6.217 -10.185 3.879 1.00 0.00 C ATOM 495 C LEU A 28 4.755 -10.049 3.461 1.00 0.00 C ATOM 496 O LEU A 28 3.867 -10.646 4.069 1.00 0.00 O ATOM 497 CB LEU A 28 6.669 -8.922 4.612 1.00 0.00 C ATOM 498 CG LEU A 28 8.154 -8.850 4.972 1.00 0.00 C ATOM 499 CD1 LEU A 28 8.441 -7.615 5.810 1.00 0.00 C ATOM 500 CD2 LEU A 28 8.585 -10.109 5.708 1.00 0.00 C ATOM 0 H LEU A 28 7.730 -9.680 2.516 1.00 0.00 H new ATOM 0 HA LEU A 28 6.306 -11.038 4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.423 -8.059 3.993 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.088 -8.831 5.530 1.00 0.00 H new ATOM 0 HG LEU A 28 8.729 -8.778 4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.502 -7.581 6.056 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.170 -6.722 5.247 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.856 -7.655 6.729 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.644 -10.041 5.956 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.003 -10.212 6.624 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.417 -10.978 5.072 1.00 0.00 H new ATOM 512 N PHE A 29 4.515 -9.260 2.419 1.00 0.00 N ATOM 513 CA PHE A 29 3.162 -9.046 1.918 1.00 0.00 C ATOM 514 C PHE A 29 2.626 -10.305 1.243 1.00 0.00 C ATOM 515 O PHE A 29 1.429 -10.589 1.296 1.00 0.00 O ATOM 516 CB PHE A 29 3.139 -7.875 0.933 1.00 0.00 C ATOM 517 CG PHE A 29 3.078 -6.531 1.600 1.00 0.00 C ATOM 518 CD1 PHE A 29 4.199 -5.997 2.214 1.00 0.00 C ATOM 519 CD2 PHE A 29 1.901 -5.802 1.611 1.00 0.00 C ATOM 520 CE1 PHE A 29 4.147 -4.760 2.829 1.00 0.00 C ATOM 521 CE2 PHE A 29 1.843 -4.564 2.222 1.00 0.00 C ATOM 522 CZ PHE A 29 2.967 -4.043 2.833 1.00 0.00 C ATOM 0 H PHE A 29 5.239 -8.758 1.905 1.00 0.00 H new ATOM 0 HA PHE A 29 2.520 -8.810 2.767 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.030 -7.920 0.306 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.279 -7.983 0.273 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.125 -6.554 2.212 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.018 -6.205 1.137 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.028 -4.355 3.305 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.919 -4.004 2.222 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.923 -3.077 3.313 1.00 0.00 H new ATOM 532 N SER A 30 3.520 -11.056 0.608 1.00 0.00 N ATOM 533 CA SER A 30 3.138 -12.282 -0.082 1.00 0.00 C ATOM 534 C SER A 30 2.555 -13.297 0.898 1.00 0.00 C ATOM 535 O SER A 30 1.648 -14.055 0.556 1.00 0.00 O ATOM 536 CB SER A 30 4.346 -12.885 -0.801 1.00 0.00 C ATOM 537 OG SER A 30 4.121 -14.248 -1.119 1.00 0.00 O ATOM 0 H SER A 30 4.515 -10.836 0.557 1.00 0.00 H new ATOM 0 HA SER A 30 2.374 -12.033 -0.818 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.548 -12.324 -1.713 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.230 -12.796 -0.170 1.00 0.00 H new ATOM 0 HG SER A 30 4.907 -14.611 -1.579 1.00 0.00 H new ATOM 543 N GLN A 31 3.084 -13.304 2.117 1.00 0.00 N ATOM 544 CA GLN A 31 2.618 -14.226 3.146 1.00 0.00 C ATOM 545 C GLN A 31 1.115 -14.081 3.366 1.00 0.00 C ATOM 546 O GLN A 31 0.415 -15.068 3.595 1.00 0.00 O ATOM 547 CB GLN A 31 3.363 -13.978 4.459 1.00 0.00 C ATOM 548 CG GLN A 31 4.829 -14.377 4.412 1.00 0.00 C ATOM 549 CD GLN A 31 5.362 -14.804 5.764 1.00 0.00 C ATOM 550 OE1 GLN A 31 4.691 -15.515 6.512 1.00 0.00 O ATOM 551 NE2 GLN A 31 6.576 -14.372 6.086 1.00 0.00 N ATOM 0 H GLN A 31 3.835 -12.682 2.416 1.00 0.00 H new ATOM 0 HA GLN A 31 2.822 -15.242 2.807 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.291 -12.921 4.714 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.870 -14.533 5.257 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.956 -15.194 3.701 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.418 -13.538 4.042 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.097 -13.784 5.436 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.987 -14.628 6.984 1.00 0.00 H new ATOM 560 N ILE A 32 0.628 -12.848 3.294 1.00 0.00 N ATOM 561 CA ILE A 32 -0.791 -12.576 3.485 1.00 0.00 C ATOM 562 C ILE A 32 -1.587 -12.902 2.227 1.00 0.00 C ATOM 563 O ILE A 32 -2.571 -13.641 2.275 1.00 0.00 O ATOM 564 CB ILE A 32 -1.036 -11.104 3.866 1.00 0.00 C ATOM 565 CG1 ILE A 32 -0.343 -10.774 5.189 1.00 0.00 C ATOM 566 CG2 ILE A 32 -2.529 -10.821 3.959 1.00 0.00 C ATOM 567 CD1 ILE A 32 -0.313 -9.295 5.504 1.00 0.00 C ATOM 0 H ILE A 32 1.195 -12.021 3.105 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.127 -13.215 4.301 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.613 -10.469 3.088 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.852 -11.299 5.997 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.679 -11.151 5.158 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.685 -9.777 4.229 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.998 -11.021 2.995 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.974 -11.463 4.719 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.193 -9.136 6.456 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.222 -8.766 4.716 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.333 -8.916 5.568 1.00 0.00 H new ATOM 579 N GLY A 33 -1.154 -12.349 1.098 1.00 0.00 N ATOM 580 CA GLY A 33 -1.837 -12.595 -0.159 1.00 0.00 C ATOM 581 C GLY A 33 -0.919 -12.440 -1.356 1.00 0.00 C ATOM 582 O GLY A 33 0.214 -11.974 -1.241 1.00 0.00 O ATOM 0 H GLY A 33 -0.342 -11.735 1.031 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.253 -13.602 -0.152 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.675 -11.904 -0.255 1.00 0.00 H new ATOM 586 N PRO A 34 -1.412 -12.838 -2.539 1.00 0.00 N ATOM 587 CA PRO A 34 -0.645 -12.752 -3.785 1.00 0.00 C ATOM 588 C PRO A 34 -0.444 -11.312 -4.244 1.00 0.00 C ATOM 589 O PRO A 34 -1.405 -10.553 -4.378 1.00 0.00 O ATOM 590 CB PRO A 34 -1.513 -13.517 -4.789 1.00 0.00 C ATOM 591 CG PRO A 34 -2.897 -13.415 -4.247 1.00 0.00 C ATOM 592 CD PRO A 34 -2.756 -13.403 -2.751 1.00 0.00 C ATOM 0 HA PRO A 34 0.361 -13.158 -3.673 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.445 -13.080 -5.785 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.197 -14.557 -4.875 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.388 -12.508 -4.600 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.507 -14.257 -4.575 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.527 -12.793 -2.280 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.841 -14.405 -2.331 1.00 0.00 H new ATOM 600 N CYS A 35 0.809 -10.942 -4.482 1.00 0.00 N ATOM 601 CA CYS A 35 1.136 -9.591 -4.926 1.00 0.00 C ATOM 602 C CYS A 35 1.301 -9.541 -6.441 1.00 0.00 C ATOM 603 O CYS A 35 2.116 -10.266 -7.012 1.00 0.00 O ATOM 604 CB CYS A 35 2.416 -9.105 -4.245 1.00 0.00 C ATOM 605 SG CYS A 35 2.358 -9.160 -2.439 1.00 0.00 S ATOM 0 H CYS A 35 1.615 -11.558 -4.375 1.00 0.00 H new ATOM 0 HA CYS A 35 0.312 -8.934 -4.647 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.252 -9.714 -4.590 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.616 -8.081 -4.560 1.00 0.00 H new ATOM 0 HG CYS A 35 1.126 -9.044 -2.041 1.00 0.00 H new ATOM 611 N LYS A 36 0.521 -8.682 -7.089 1.00 0.00 N ATOM 612 CA LYS A 36 0.579 -8.537 -8.538 1.00 0.00 C ATOM 613 C LYS A 36 1.935 -7.992 -8.976 1.00 0.00 C ATOM 614 O LYS A 36 2.585 -8.554 -9.858 1.00 0.00 O ATOM 615 CB LYS A 36 -0.537 -7.608 -9.023 1.00 0.00 C ATOM 616 CG LYS A 36 -1.017 -7.918 -10.431 1.00 0.00 C ATOM 617 CD LYS A 36 -2.474 -7.532 -10.621 1.00 0.00 C ATOM 618 CE LYS A 36 -2.836 -7.430 -12.094 1.00 0.00 C ATOM 619 NZ LYS A 36 -3.944 -6.463 -12.327 1.00 0.00 N ATOM 0 H LYS A 36 -0.160 -8.075 -6.632 1.00 0.00 H new ATOM 0 HA LYS A 36 0.442 -9.523 -8.983 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.381 -7.678 -8.337 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.182 -6.578 -8.988 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.401 -7.382 -11.153 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.892 -8.982 -10.633 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.113 -8.271 -10.139 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.665 -6.577 -10.131 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.959 -7.121 -12.663 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.127 -8.413 -12.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.161 -6.422 -13.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.789 -6.771 -11.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.657 -5.520 -11.996 1.00 0.00 H new ATOM 633 N SER A 37 2.356 -6.895 -8.354 1.00 0.00 N ATOM 634 CA SER A 37 3.633 -6.273 -8.682 1.00 0.00 C ATOM 635 C SER A 37 4.034 -5.260 -7.615 1.00 0.00 C ATOM 636 O SER A 37 3.185 -4.569 -7.050 1.00 0.00 O ATOM 637 CB SER A 37 3.556 -5.590 -10.048 1.00 0.00 C ATOM 638 OG SER A 37 4.829 -5.548 -10.671 1.00 0.00 O ATOM 0 H SER A 37 1.831 -6.419 -7.620 1.00 0.00 H new ATOM 0 HA SER A 37 4.391 -7.055 -8.718 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.853 -6.125 -10.686 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.172 -4.577 -9.930 1.00 0.00 H new ATOM 0 HG SER A 37 4.752 -5.108 -11.543 1.00 0.00 H new ATOM 644 N CYS A 38 5.332 -5.177 -7.344 1.00 0.00 N ATOM 645 CA CYS A 38 5.847 -4.249 -6.343 1.00 0.00 C ATOM 646 C CYS A 38 6.986 -3.412 -6.914 1.00 0.00 C ATOM 647 O CYS A 38 7.927 -3.943 -7.504 1.00 0.00 O ATOM 648 CB CYS A 38 6.328 -5.013 -5.108 1.00 0.00 C ATOM 649 SG CYS A 38 6.979 -3.956 -3.795 1.00 0.00 S ATOM 0 H CYS A 38 6.047 -5.741 -7.803 1.00 0.00 H new ATOM 0 HA CYS A 38 5.037 -3.579 -6.053 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.499 -5.599 -4.711 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.102 -5.719 -5.409 1.00 0.00 H new ATOM 0 HG CYS A 38 6.287 -2.857 -3.739 1.00 0.00 H new ATOM 655 N LYS A 39 6.894 -2.098 -6.738 1.00 0.00 N ATOM 656 CA LYS A 39 7.916 -1.185 -7.236 1.00 0.00 C ATOM 657 C LYS A 39 8.488 -0.339 -6.102 1.00 0.00 C ATOM 658 O LYS A 39 7.790 0.493 -5.523 1.00 0.00 O ATOM 659 CB LYS A 39 7.334 -0.277 -8.320 1.00 0.00 C ATOM 660 CG LYS A 39 8.384 0.512 -9.083 1.00 0.00 C ATOM 661 CD LYS A 39 7.779 1.255 -10.261 1.00 0.00 C ATOM 662 CE LYS A 39 8.845 1.968 -11.078 1.00 0.00 C ATOM 663 NZ LYS A 39 8.250 2.796 -12.164 1.00 0.00 N ATOM 0 H LYS A 39 6.121 -1.641 -6.254 1.00 0.00 H new ATOM 0 HA LYS A 39 8.722 -1.780 -7.665 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.766 -0.885 -9.024 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.632 0.419 -7.861 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.864 1.223 -8.411 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.161 -0.165 -9.439 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.241 0.553 -10.897 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.050 1.981 -9.899 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.441 2.603 -10.422 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.523 1.233 -11.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.009 3.266 -12.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.702 2.187 -12.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.623 3.514 -11.749 1.00 0.00 H new ATOM 677 N MET A 40 9.762 -0.557 -5.791 1.00 0.00 N ATOM 678 CA MET A 40 10.427 0.188 -4.729 1.00 0.00 C ATOM 679 C MET A 40 11.129 1.423 -5.288 1.00 0.00 C ATOM 680 O MET A 40 12.035 1.311 -6.114 1.00 0.00 O ATOM 681 CB MET A 40 11.438 -0.704 -4.007 1.00 0.00 C ATOM 682 CG MET A 40 12.304 0.045 -3.006 1.00 0.00 C ATOM 683 SD MET A 40 13.402 -1.048 -2.084 1.00 0.00 S ATOM 684 CE MET A 40 12.357 -1.485 -0.697 1.00 0.00 C ATOM 0 H MET A 40 10.354 -1.243 -6.259 1.00 0.00 H new ATOM 0 HA MET A 40 9.668 0.514 -4.018 1.00 0.00 H new ATOM 0 HB2 MET A 40 10.903 -1.500 -3.488 1.00 0.00 H new ATOM 0 HB3 MET A 40 12.081 -1.182 -4.746 1.00 0.00 H new ATOM 0 HG2 MET A 40 12.899 0.791 -3.533 1.00 0.00 H new ATOM 0 HG3 MET A 40 11.663 0.583 -2.308 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.916 -1.367 0.231 1.00 0.00 H new ATOM 0 HE2 MET A 40 11.484 -0.833 -0.680 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.034 -2.521 -0.797 1.00 0.00 H new ATOM 694 N ILE A 41 10.704 2.597 -4.833 1.00 0.00 N ATOM 695 CA ILE A 41 11.293 3.850 -5.287 1.00 0.00 C ATOM 696 C ILE A 41 12.148 4.484 -4.194 1.00 0.00 C ATOM 697 O ILE A 41 11.659 4.789 -3.107 1.00 0.00 O ATOM 698 CB ILE A 41 10.211 4.855 -5.725 1.00 0.00 C ATOM 699 CG1 ILE A 41 9.085 4.132 -6.469 1.00 0.00 C ATOM 700 CG2 ILE A 41 10.819 5.941 -6.598 1.00 0.00 C ATOM 701 CD1 ILE A 41 8.046 5.068 -7.047 1.00 0.00 C ATOM 0 H ILE A 41 9.954 2.706 -4.150 1.00 0.00 H new ATOM 0 HA ILE A 41 11.922 3.610 -6.144 1.00 0.00 H new ATOM 0 HB ILE A 41 9.791 5.325 -4.836 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.516 3.538 -7.275 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.597 3.437 -5.786 1.00 0.00 H new ATOM 0 HG21 ILE A 41 10.042 6.643 -6.899 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.589 6.471 -6.037 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.263 5.489 -7.485 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.279 4.488 -7.560 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.588 5.645 -6.243 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.521 5.747 -7.755 1.00 0.00 H new ATOM 810 N PRO A 49 12.943 5.865 2.043 1.00 0.00 N ATOM 811 CA PRO A 49 12.403 5.396 0.764 1.00 0.00 C ATOM 812 C PRO A 49 10.979 4.869 0.893 1.00 0.00 C ATOM 813 O PRO A 49 10.441 4.769 1.996 1.00 0.00 O ATOM 814 CB PRO A 49 13.358 4.267 0.367 1.00 0.00 C ATOM 815 CG PRO A 49 13.923 3.781 1.656 1.00 0.00 C ATOM 816 CD PRO A 49 14.008 4.985 2.553 1.00 0.00 C ATOM 0 HA PRO A 49 12.342 6.199 0.029 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.833 3.471 -0.161 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.142 4.627 -0.299 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.288 3.012 2.095 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.907 3.335 1.507 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.845 4.720 3.598 1.00 0.00 H new ATOM 0 HD3 PRO A 49 14.986 5.462 2.494 1.00 0.00 H new ATOM 824 N TYR A 50 10.371 4.531 -0.239 1.00 0.00 N ATOM 825 CA TYR A 50 9.009 4.016 -0.252 1.00 0.00 C ATOM 826 C TYR A 50 8.784 3.097 -1.450 1.00 0.00 C ATOM 827 O TYR A 50 9.329 3.326 -2.531 1.00 0.00 O ATOM 828 CB TYR A 50 8.005 5.169 -0.284 1.00 0.00 C ATOM 829 CG TYR A 50 7.979 5.914 -1.598 1.00 0.00 C ATOM 830 CD1 TYR A 50 7.155 5.502 -2.638 1.00 0.00 C ATOM 831 CD2 TYR A 50 8.780 7.032 -1.801 1.00 0.00 C ATOM 832 CE1 TYR A 50 7.131 6.179 -3.842 1.00 0.00 C ATOM 833 CE2 TYR A 50 8.759 7.717 -3.001 1.00 0.00 C ATOM 834 CZ TYR A 50 7.934 7.286 -4.018 1.00 0.00 C ATOM 835 OH TYR A 50 7.911 7.965 -5.215 1.00 0.00 O ATOM 0 H TYR A 50 10.802 4.605 -1.161 1.00 0.00 H new ATOM 0 HA TYR A 50 8.859 3.438 0.660 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.009 4.778 -0.078 1.00 0.00 H new ATOM 0 HB3 TYR A 50 8.244 5.870 0.516 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.522 4.637 -2.503 1.00 0.00 H new ATOM 0 HD2 TYR A 50 9.430 7.371 -1.008 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.487 5.843 -4.641 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.386 8.585 -3.141 1.00 0.00 H new ATOM 0 HH TYR A 50 8.534 8.721 -5.174 1.00 0.00 H new ATOM 845 N CYS A 51 7.978 2.061 -1.250 1.00 0.00 N ATOM 846 CA CYS A 51 7.680 1.108 -2.313 1.00 0.00 C ATOM 847 C CYS A 51 6.175 0.915 -2.464 1.00 0.00 C ATOM 848 O CYS A 51 5.410 1.161 -1.531 1.00 0.00 O ATOM 849 CB CYS A 51 8.353 -0.235 -2.025 1.00 0.00 C ATOM 850 SG CYS A 51 7.441 -1.285 -0.870 1.00 0.00 S ATOM 0 H CYS A 51 7.519 1.859 -0.362 1.00 0.00 H new ATOM 0 HA CYS A 51 8.072 1.509 -3.248 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.482 -0.773 -2.964 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.349 -0.051 -1.623 1.00 0.00 H new ATOM 0 HG CYS A 51 6.741 -2.155 -1.535 1.00 0.00 H new ATOM 856 N PHE A 52 5.756 0.473 -3.645 1.00 0.00 N ATOM 857 CA PHE A 52 4.341 0.248 -3.919 1.00 0.00 C ATOM 858 C PHE A 52 4.030 -1.244 -3.984 1.00 0.00 C ATOM 859 O PHE A 52 4.810 -2.030 -4.522 1.00 0.00 O ATOM 860 CB PHE A 52 3.942 0.922 -5.234 1.00 0.00 C ATOM 861 CG PHE A 52 3.966 2.423 -5.170 1.00 0.00 C ATOM 862 CD1 PHE A 52 3.296 3.097 -4.162 1.00 0.00 C ATOM 863 CD2 PHE A 52 4.660 3.159 -6.117 1.00 0.00 C ATOM 864 CE1 PHE A 52 3.315 4.478 -4.102 1.00 0.00 C ATOM 865 CE2 PHE A 52 4.684 4.540 -6.061 1.00 0.00 C ATOM 866 CZ PHE A 52 4.011 5.200 -5.052 1.00 0.00 C ATOM 0 H PHE A 52 6.376 0.263 -4.428 1.00 0.00 H new ATOM 0 HA PHE A 52 3.764 0.686 -3.104 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.617 0.589 -6.023 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.940 0.594 -5.512 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.753 2.537 -3.415 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.188 2.648 -6.908 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.786 4.992 -3.313 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.228 5.102 -6.805 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.029 6.279 -5.006 1.00 0.00 H new ATOM 876 N VAL A 53 2.883 -1.628 -3.432 1.00 0.00 N ATOM 877 CA VAL A 53 2.467 -3.025 -3.427 1.00 0.00 C ATOM 878 C VAL A 53 1.052 -3.179 -3.976 1.00 0.00 C ATOM 879 O VAL A 53 0.098 -2.643 -3.414 1.00 0.00 O ATOM 880 CB VAL A 53 2.524 -3.623 -2.009 1.00 0.00 C ATOM 881 CG1 VAL A 53 2.140 -5.095 -2.034 1.00 0.00 C ATOM 882 CG2 VAL A 53 3.908 -3.433 -1.407 1.00 0.00 C ATOM 0 H VAL A 53 2.226 -0.991 -2.983 1.00 0.00 H new ATOM 0 HA VAL A 53 3.163 -3.565 -4.069 1.00 0.00 H new ATOM 0 HB VAL A 53 1.805 -3.097 -1.381 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.186 -5.500 -1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.127 -5.200 -2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.832 -5.641 -2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.931 -3.861 -0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.648 -3.932 -2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.138 -2.369 -1.352 1.00 0.00 H new ATOM 892 N GLU A 54 0.927 -3.914 -5.076 1.00 0.00 N ATOM 893 CA GLU A 54 -0.372 -4.139 -5.699 1.00 0.00 C ATOM 894 C GLU A 54 -0.805 -5.594 -5.548 1.00 0.00 C ATOM 895 O GLU A 54 -0.012 -6.514 -5.753 1.00 0.00 O ATOM 896 CB GLU A 54 -0.322 -3.762 -7.182 1.00 0.00 C ATOM 897 CG GLU A 54 -1.684 -3.754 -7.854 1.00 0.00 C ATOM 898 CD GLU A 54 -1.624 -3.269 -9.289 1.00 0.00 C ATOM 899 OE1 GLU A 54 -1.021 -3.971 -10.127 1.00 0.00 O ATOM 900 OE2 GLU A 54 -2.180 -2.187 -9.575 1.00 0.00 O ATOM 0 H GLU A 54 1.708 -4.363 -5.554 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.103 -3.507 -5.194 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.129 -2.775 -7.282 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.328 -4.464 -7.705 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.102 -4.761 -7.832 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.361 -3.115 -7.287 1.00 0.00 H new ATOM 907 N PHE A 55 -2.068 -5.795 -5.186 1.00 0.00 N ATOM 908 CA PHE A 55 -2.606 -7.137 -5.005 1.00 0.00 C ATOM 909 C PHE A 55 -3.582 -7.488 -6.125 1.00 0.00 C ATOM 910 O PHE A 55 -4.024 -6.616 -6.873 1.00 0.00 O ATOM 911 CB PHE A 55 -3.308 -7.250 -3.649 1.00 0.00 C ATOM 912 CG PHE A 55 -2.366 -7.498 -2.506 1.00 0.00 C ATOM 913 CD1 PHE A 55 -1.781 -6.439 -1.831 1.00 0.00 C ATOM 914 CD2 PHE A 55 -2.067 -8.790 -2.106 1.00 0.00 C ATOM 915 CE1 PHE A 55 -0.914 -6.665 -0.779 1.00 0.00 C ATOM 916 CE2 PHE A 55 -1.200 -9.022 -1.054 1.00 0.00 C ATOM 917 CZ PHE A 55 -0.624 -7.959 -0.389 1.00 0.00 C ATOM 0 H PHE A 55 -2.737 -5.045 -5.012 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.775 -7.841 -5.037 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.864 -6.332 -3.459 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.036 -8.060 -3.692 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.005 -5.426 -2.130 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.516 -9.626 -2.622 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.463 -5.831 -0.262 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.974 -10.034 -0.753 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.052 -8.138 0.434 1.00 0.00 H new ATOM 927 N TYR A 56 -3.911 -8.770 -6.234 1.00 0.00 N ATOM 928 CA TYR A 56 -4.831 -9.238 -7.264 1.00 0.00 C ATOM 929 C TYR A 56 -6.279 -8.982 -6.858 1.00 0.00 C ATOM 930 O TYR A 56 -7.138 -8.739 -7.705 1.00 0.00 O ATOM 931 CB TYR A 56 -4.619 -10.729 -7.527 1.00 0.00 C ATOM 932 CG TYR A 56 -3.351 -11.036 -8.293 1.00 0.00 C ATOM 933 CD1 TYR A 56 -3.341 -11.046 -9.682 1.00 0.00 C ATOM 934 CD2 TYR A 56 -2.165 -11.315 -7.627 1.00 0.00 C ATOM 935 CE1 TYR A 56 -2.185 -11.326 -10.386 1.00 0.00 C ATOM 936 CE2 TYR A 56 -1.004 -11.595 -8.322 1.00 0.00 C ATOM 937 CZ TYR A 56 -1.020 -11.599 -9.702 1.00 0.00 C ATOM 938 OH TYR A 56 0.134 -11.878 -10.398 1.00 0.00 O ATOM 0 H TYR A 56 -3.554 -9.504 -5.622 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.626 -8.682 -8.179 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.594 -11.257 -6.574 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.472 -11.116 -8.084 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.252 -10.831 -10.221 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.150 -11.313 -6.547 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.195 -11.331 -11.466 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -0.090 -11.809 -7.789 1.00 0.00 H new ATOM 0 HH TYR A 56 0.864 -12.047 -9.767 1.00 0.00 H new ATOM 948 N GLU A 57 -6.541 -9.038 -5.557 1.00 0.00 N ATOM 949 CA GLU A 57 -7.884 -8.812 -5.037 1.00 0.00 C ATOM 950 C GLU A 57 -7.901 -7.641 -4.060 1.00 0.00 C ATOM 951 O GLU A 57 -6.877 -7.296 -3.469 1.00 0.00 O ATOM 952 CB GLU A 57 -8.407 -10.074 -4.347 1.00 0.00 C ATOM 953 CG GLU A 57 -8.418 -11.300 -5.246 1.00 0.00 C ATOM 954 CD GLU A 57 -9.677 -11.394 -6.085 1.00 0.00 C ATOM 955 OE1 GLU A 57 -10.696 -10.783 -5.701 1.00 0.00 O ATOM 956 OE2 GLU A 57 -9.643 -12.082 -7.128 1.00 0.00 O ATOM 0 H GLU A 57 -5.841 -9.238 -4.843 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.534 -8.570 -5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.791 -10.281 -3.472 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.419 -9.888 -3.988 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.549 -11.272 -5.903 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.326 -12.197 -4.633 1.00 0.00 H new ATOM 963 N HIS A 58 -9.071 -7.032 -3.895 1.00 0.00 N ATOM 964 CA HIS A 58 -9.222 -5.898 -2.990 1.00 0.00 C ATOM 965 C HIS A 58 -9.197 -6.358 -1.535 1.00 0.00 C ATOM 966 O HIS A 58 -8.662 -5.670 -0.666 1.00 0.00 O ATOM 967 CB HIS A 58 -10.527 -5.156 -3.280 1.00 0.00 C ATOM 968 CG HIS A 58 -10.937 -4.215 -2.189 1.00 0.00 C ATOM 969 ND1 HIS A 58 -10.266 -3.041 -1.918 1.00 0.00 N ATOM 970 CD2 HIS A 58 -11.956 -4.279 -1.301 1.00 0.00 C ATOM 971 CE1 HIS A 58 -10.854 -2.425 -0.908 1.00 0.00 C ATOM 972 NE2 HIS A 58 -11.883 -3.155 -0.516 1.00 0.00 N ATOM 0 H HIS A 58 -9.928 -7.305 -4.376 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.384 -5.220 -3.154 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.418 -4.597 -4.209 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -11.322 -5.885 -3.438 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -9.445 -2.702 -2.419 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.690 -5.067 -1.224 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -10.546 -1.484 -0.476 1.00 0.00 H new ATOM 980 N ARG A 59 -9.780 -7.524 -1.278 1.00 0.00 N ATOM 981 CA ARG A 59 -9.827 -8.074 0.072 1.00 0.00 C ATOM 982 C ARG A 59 -8.420 -8.325 0.605 1.00 0.00 C ATOM 983 O ARG A 59 -8.132 -8.062 1.774 1.00 0.00 O ATOM 984 CB ARG A 59 -10.629 -9.377 0.086 1.00 0.00 C ATOM 985 CG ARG A 59 -10.001 -10.488 -0.739 1.00 0.00 C ATOM 986 CD ARG A 59 -10.911 -11.703 -0.819 1.00 0.00 C ATOM 987 NE ARG A 59 -12.136 -11.424 -1.564 1.00 0.00 N ATOM 988 CZ ARG A 59 -12.991 -12.364 -1.952 1.00 0.00 C ATOM 989 NH1 ARG A 59 -12.756 -13.637 -1.666 1.00 0.00 N ATOM 990 NH2 ARG A 59 -14.085 -12.029 -2.626 1.00 0.00 N ATOM 0 H ARG A 59 -10.226 -8.106 -1.986 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.317 -7.346 0.718 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.736 -9.717 1.116 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.633 -9.180 -0.290 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.791 -10.122 -1.744 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -9.046 -10.775 -0.298 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.377 -12.525 -1.296 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -11.167 -12.031 0.189 1.00 0.00 H new ATOM 0 HE ARG A 59 -12.347 -10.454 -1.799 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.917 -13.897 -1.147 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -13.414 -14.357 -1.965 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -14.269 -11.050 -2.846 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.741 -12.751 -2.924 1.00 0.00 H new ATOM 1004 N ASP A 60 -7.547 -8.833 -0.257 1.00 0.00 N ATOM 1005 CA ASP A 60 -6.170 -9.119 0.127 1.00 0.00 C ATOM 1006 C ASP A 60 -5.409 -7.829 0.420 1.00 0.00 C ATOM 1007 O ASP A 60 -4.698 -7.730 1.420 1.00 0.00 O ATOM 1008 CB ASP A 60 -5.461 -9.902 -0.979 1.00 0.00 C ATOM 1009 CG ASP A 60 -5.926 -11.343 -1.056 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -6.972 -11.596 -1.690 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -5.243 -12.218 -0.484 1.00 0.00 O ATOM 0 H ASP A 60 -7.769 -9.055 -1.227 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.190 -9.723 1.034 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.639 -9.414 -1.937 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.385 -9.879 -0.804 1.00 0.00 H new ATOM 1016 N ALA A 61 -5.563 -6.844 -0.458 1.00 0.00 N ATOM 1017 CA ALA A 61 -4.892 -5.560 -0.292 1.00 0.00 C ATOM 1018 C ALA A 61 -5.248 -4.924 1.047 1.00 0.00 C ATOM 1019 O ALA A 61 -4.380 -4.406 1.749 1.00 0.00 O ATOM 1020 CB ALA A 61 -5.254 -4.625 -1.436 1.00 0.00 C ATOM 0 H ALA A 61 -6.147 -6.910 -1.292 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.816 -5.735 -0.306 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.746 -3.670 -1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.943 -5.070 -2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.332 -4.465 -1.448 1.00 0.00 H new ATOM 1026 N ALA A 62 -6.530 -4.966 1.396 1.00 0.00 N ATOM 1027 CA ALA A 62 -6.999 -4.394 2.651 1.00 0.00 C ATOM 1028 C ALA A 62 -6.480 -5.189 3.844 1.00 0.00 C ATOM 1029 O ALA A 62 -6.138 -4.621 4.880 1.00 0.00 O ATOM 1030 CB ALA A 62 -8.519 -4.340 2.671 1.00 0.00 C ATOM 0 H ALA A 62 -7.262 -5.391 0.826 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.610 -3.379 2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.855 -3.910 3.615 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.872 -3.723 1.845 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.920 -5.348 2.568 1.00 0.00 H new ATOM 1036 N ALA A 63 -6.425 -6.509 3.692 1.00 0.00 N ATOM 1037 CA ALA A 63 -5.948 -7.382 4.756 1.00 0.00 C ATOM 1038 C ALA A 63 -4.461 -7.163 5.019 1.00 0.00 C ATOM 1039 O ALA A 63 -4.036 -7.044 6.168 1.00 0.00 O ATOM 1040 CB ALA A 63 -6.213 -8.839 4.404 1.00 0.00 C ATOM 0 H ALA A 63 -6.705 -6.996 2.841 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.494 -7.135 5.667 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.851 -9.479 5.208 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.284 -8.992 4.272 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.694 -9.090 3.479 1.00 0.00 H new ATOM 1046 N ALA A 64 -3.676 -7.111 3.949 1.00 0.00 N ATOM 1047 CA ALA A 64 -2.238 -6.906 4.065 1.00 0.00 C ATOM 1048 C ALA A 64 -1.919 -5.463 4.446 1.00 0.00 C ATOM 1049 O ALA A 64 -0.972 -5.202 5.188 1.00 0.00 O ATOM 1050 CB ALA A 64 -1.545 -7.275 2.762 1.00 0.00 C ATOM 0 H ALA A 64 -4.012 -7.208 2.991 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.866 -7.555 4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.471 -7.117 2.863 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.737 -8.323 2.532 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.929 -6.650 1.956 1.00 0.00 H new ATOM 1056 N LEU A 65 -2.714 -4.532 3.933 1.00 0.00 N ATOM 1057 CA LEU A 65 -2.516 -3.115 4.219 1.00 0.00 C ATOM 1058 C LEU A 65 -2.587 -2.847 5.719 1.00 0.00 C ATOM 1059 O LEU A 65 -1.698 -2.217 6.289 1.00 0.00 O ATOM 1060 CB LEU A 65 -3.566 -2.275 3.489 1.00 0.00 C ATOM 1061 CG LEU A 65 -3.830 -0.882 4.064 1.00 0.00 C ATOM 1062 CD1 LEU A 65 -2.730 0.082 3.651 1.00 0.00 C ATOM 1063 CD2 LEU A 65 -5.189 -0.369 3.613 1.00 0.00 C ATOM 0 H LEU A 65 -3.502 -4.732 3.317 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.524 -2.834 3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.256 -2.164 2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.505 -2.828 3.484 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.833 -0.952 5.152 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.934 1.068 4.069 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.771 -0.279 4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.694 0.149 2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.361 0.623 4.031 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.214 -0.313 2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.968 -1.048 3.960 1.00 0.00 H new ATOM 1075 N ALA A 66 -3.650 -3.331 6.352 1.00 0.00 N ATOM 1076 CA ALA A 66 -3.835 -3.149 7.786 1.00 0.00 C ATOM 1077 C ALA A 66 -2.798 -3.937 8.578 1.00 0.00 C ATOM 1078 O ALA A 66 -2.248 -3.444 9.562 1.00 0.00 O ATOM 1079 CB ALA A 66 -5.241 -3.563 8.194 1.00 0.00 C ATOM 0 H ALA A 66 -4.397 -3.853 5.894 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.700 -2.092 8.013 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.365 -3.422 9.268 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.969 -2.952 7.661 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.398 -4.613 7.946 1.00 0.00 H new ATOM 1085 N ALA A 67 -2.535 -5.166 8.143 1.00 0.00 N ATOM 1086 CA ALA A 67 -1.563 -6.022 8.810 1.00 0.00 C ATOM 1087 C ALA A 67 -0.148 -5.482 8.639 1.00 0.00 C ATOM 1088 O ALA A 67 0.738 -5.769 9.444 1.00 0.00 O ATOM 1089 CB ALA A 67 -1.657 -7.442 8.277 1.00 0.00 C ATOM 0 H ALA A 67 -2.983 -5.590 7.331 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.794 -6.031 9.875 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.925 -8.070 8.784 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.658 -7.833 8.458 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.455 -7.443 7.206 1.00 0.00 H new ATOM 1095 N MET A 68 0.059 -4.700 7.585 1.00 0.00 N ATOM 1096 CA MET A 68 1.368 -4.119 7.309 1.00 0.00 C ATOM 1097 C MET A 68 1.415 -2.655 7.732 1.00 0.00 C ATOM 1098 O MET A 68 2.489 -2.082 7.906 1.00 0.00 O ATOM 1099 CB MET A 68 1.702 -4.244 5.821 1.00 0.00 C ATOM 1100 CG MET A 68 1.882 -5.680 5.357 1.00 0.00 C ATOM 1101 SD MET A 68 3.197 -6.537 6.244 1.00 0.00 S ATOM 1102 CE MET A 68 4.591 -5.468 5.898 1.00 0.00 C ATOM 0 H MET A 68 -0.663 -4.454 6.908 1.00 0.00 H new ATOM 0 HA MET A 68 2.110 -4.669 7.888 1.00 0.00 H new ATOM 0 HB2 MET A 68 0.906 -3.780 5.238 1.00 0.00 H new ATOM 0 HB3 MET A 68 2.616 -3.687 5.614 1.00 0.00 H new ATOM 0 HG2 MET A 68 0.946 -6.221 5.492 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.104 -5.688 4.290 1.00 0.00 H new ATOM 0 HE1 MET A 68 5.383 -6.046 5.422 1.00 0.00 H new ATOM 0 HE2 MET A 68 4.277 -4.665 5.231 1.00 0.00 H new ATOM 0 HE3 MET A 68 4.963 -5.042 6.830 1.00 0.00 H new ATOM 1112 N ASN A 69 0.240 -2.054 7.896 1.00 0.00 N ATOM 1113 CA ASN A 69 0.147 -0.655 8.297 1.00 0.00 C ATOM 1114 C ASN A 69 0.880 -0.418 9.615 1.00 0.00 C ATOM 1115 O ASN A 69 0.367 -0.733 10.688 1.00 0.00 O ATOM 1116 CB ASN A 69 -1.319 -0.238 8.434 1.00 0.00 C ATOM 1117 CG ASN A 69 -1.470 1.212 8.850 1.00 0.00 C ATOM 1118 OD1 ASN A 69 -1.852 2.064 8.047 1.00 0.00 O ATOM 1119 ND2 ASN A 69 -1.172 1.500 10.112 1.00 0.00 N ATOM 0 H ASN A 69 -0.660 -2.514 7.757 1.00 0.00 H new ATOM 0 HA ASN A 69 0.619 -0.049 7.524 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.829 -0.396 7.484 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.809 -0.877 9.169 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.256 2.459 10.450 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.859 0.762 10.743 1.00 0.00 H new ATOM 1126 N GLY A 70 2.083 0.141 9.524 1.00 0.00 N ATOM 1127 CA GLY A 70 2.867 0.412 10.716 1.00 0.00 C ATOM 1128 C GLY A 70 3.493 -0.840 11.294 1.00 0.00 C ATOM 1129 O GLY A 70 3.628 -0.970 12.511 1.00 0.00 O ATOM 0 H GLY A 70 2.529 0.411 8.647 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.652 1.129 10.476 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.230 0.877 11.468 1.00 0.00 H new ATOM 1133 N ARG A 71 3.875 -1.767 10.421 1.00 0.00 N ATOM 1134 CA ARG A 71 4.488 -3.017 10.854 1.00 0.00 C ATOM 1135 C ARG A 71 5.982 -2.833 11.104 1.00 0.00 C ATOM 1136 O ARG A 71 6.632 -2.007 10.463 1.00 0.00 O ATOM 1137 CB ARG A 71 4.267 -4.108 9.804 1.00 0.00 C ATOM 1138 CG ARG A 71 4.210 -5.511 10.386 1.00 0.00 C ATOM 1139 CD ARG A 71 4.681 -6.551 9.381 1.00 0.00 C ATOM 1140 NE ARG A 71 5.199 -7.749 10.036 1.00 0.00 N ATOM 1141 CZ ARG A 71 4.428 -8.731 10.488 1.00 0.00 C ATOM 1142 NH1 ARG A 71 3.111 -8.657 10.357 1.00 0.00 N ATOM 1143 NH2 ARG A 71 4.974 -9.790 11.072 1.00 0.00 N ATOM 0 H ARG A 71 3.771 -1.676 9.410 1.00 0.00 H new ATOM 0 HA ARG A 71 4.015 -3.319 11.789 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.337 -3.906 9.273 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.070 -4.061 9.069 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.831 -5.560 11.280 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.189 -5.737 10.694 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.853 -6.825 8.727 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.457 -6.119 8.749 1.00 0.00 H new ATOM 0 HE ARG A 71 6.209 -7.836 10.153 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.688 -7.845 9.908 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.521 -9.413 10.705 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.987 -9.850 11.174 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.381 -10.544 11.419 1.00 0.00 H new ATOM 1157 N LYS A 72 6.519 -3.607 12.041 1.00 0.00 N ATOM 1158 CA LYS A 72 7.937 -3.530 12.376 1.00 0.00 C ATOM 1159 C LYS A 72 8.773 -4.345 11.395 1.00 0.00 C ATOM 1160 O LYS A 72 8.650 -5.568 11.328 1.00 0.00 O ATOM 1161 CB LYS A 72 8.171 -4.032 13.803 1.00 0.00 C ATOM 1162 CG LYS A 72 8.072 -2.941 14.856 1.00 0.00 C ATOM 1163 CD LYS A 72 9.437 -2.364 15.191 1.00 0.00 C ATOM 1164 CE LYS A 72 9.731 -1.116 14.373 1.00 0.00 C ATOM 1165 NZ LYS A 72 9.288 0.122 15.072 1.00 0.00 N ATOM 0 H LYS A 72 5.994 -4.295 12.582 1.00 0.00 H new ATOM 0 HA LYS A 72 8.246 -2.487 12.308 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.443 -4.811 14.029 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.158 -4.492 13.860 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.418 -2.146 14.497 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.616 -3.346 15.759 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.480 -2.123 16.253 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.206 -3.113 15.003 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.801 -1.057 14.172 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.229 -1.188 13.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.762 0.947 14.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.258 0.227 14.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.534 0.058 16.080 1.00 0.00 H new ATOM 1179 N ILE A 73 9.622 -3.660 10.638 1.00 0.00 N ATOM 1180 CA ILE A 73 10.480 -4.322 9.662 1.00 0.00 C ATOM 1181 C ILE A 73 11.910 -3.797 9.742 1.00 0.00 C ATOM 1182 O ILE A 73 12.158 -2.607 9.548 1.00 0.00 O ATOM 1183 CB ILE A 73 9.955 -4.129 8.227 1.00 0.00 C ATOM 1184 CG1 ILE A 73 8.604 -4.829 8.057 1.00 0.00 C ATOM 1185 CG2 ILE A 73 10.962 -4.658 7.218 1.00 0.00 C ATOM 1186 CD1 ILE A 73 7.899 -4.476 6.767 1.00 0.00 C ATOM 0 H ILE A 73 9.735 -2.647 10.681 1.00 0.00 H new ATOM 0 HA ILE A 73 10.470 -5.385 9.904 1.00 0.00 H new ATOM 0 HB ILE A 73 9.817 -3.063 8.047 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.756 -5.908 8.095 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.960 -4.567 8.897 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.576 -4.514 6.209 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.903 -4.119 7.327 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.130 -5.721 7.394 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.949 -5.008 6.714 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.716 -3.402 6.735 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.523 -4.763 5.921 1.00 0.00 H new ATOM 1198 N LEU A 74 12.847 -4.693 10.028 1.00 0.00 N ATOM 1199 CA LEU A 74 14.255 -4.322 10.132 1.00 0.00 C ATOM 1200 C LEU A 74 14.464 -3.283 11.228 1.00 0.00 C ATOM 1201 O LEU A 74 15.277 -2.370 11.085 1.00 0.00 O ATOM 1202 CB LEU A 74 14.759 -3.779 8.794 1.00 0.00 C ATOM 1203 CG LEU A 74 14.981 -4.814 7.691 1.00 0.00 C ATOM 1204 CD1 LEU A 74 15.199 -4.127 6.351 1.00 0.00 C ATOM 1205 CD2 LEU A 74 16.162 -5.712 8.030 1.00 0.00 C ATOM 0 H LEU A 74 12.658 -5.682 10.192 1.00 0.00 H new ATOM 0 HA LEU A 74 14.823 -5.215 10.391 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.044 -3.040 8.432 1.00 0.00 H new ATOM 0 HB3 LEU A 74 15.699 -3.255 8.968 1.00 0.00 H new ATOM 0 HG LEU A 74 14.088 -5.435 7.618 1.00 0.00 H new ATOM 0 HD11 LEU A 74 15.355 -4.879 5.578 1.00 0.00 H new ATOM 0 HD12 LEU A 74 14.323 -3.528 6.103 1.00 0.00 H new ATOM 0 HD13 LEU A 74 16.075 -3.481 6.411 1.00 0.00 H new ATOM 0 HD21 LEU A 74 16.304 -6.442 7.233 1.00 0.00 H new ATOM 0 HD22 LEU A 74 17.062 -5.106 8.132 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.966 -6.232 8.968 1.00 0.00 H new ATOM 1217 N GLY A 75 13.724 -3.428 12.324 1.00 0.00 N ATOM 1218 CA GLY A 75 13.845 -2.495 13.429 1.00 0.00 C ATOM 1219 C GLY A 75 13.248 -1.138 13.111 1.00 0.00 C ATOM 1220 O GLY A 75 13.349 -0.205 13.906 1.00 0.00 O ATOM 0 H GLY A 75 13.044 -4.175 12.466 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.349 -2.910 14.307 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.898 -2.374 13.685 1.00 0.00 H new ATOM 1224 N LYS A 76 12.626 -1.027 11.941 1.00 0.00 N ATOM 1225 CA LYS A 76 12.010 0.225 11.518 1.00 0.00 C ATOM 1226 C LYS A 76 10.539 0.018 11.172 1.00 0.00 C ATOM 1227 O LYS A 76 10.203 -0.811 10.327 1.00 0.00 O ATOM 1228 CB LYS A 76 12.754 0.800 10.310 1.00 0.00 C ATOM 1229 CG LYS A 76 12.366 2.231 9.981 1.00 0.00 C ATOM 1230 CD LYS A 76 13.382 2.888 9.062 1.00 0.00 C ATOM 1231 CE LYS A 76 14.559 3.452 9.844 1.00 0.00 C ATOM 1232 NZ LYS A 76 15.616 3.989 8.944 1.00 0.00 N ATOM 0 H LYS A 76 12.536 -1.789 11.269 1.00 0.00 H new ATOM 0 HA LYS A 76 12.074 0.931 12.346 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.826 0.758 10.501 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.560 0.171 9.441 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.385 2.243 9.507 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.282 2.807 10.903 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.742 2.159 8.336 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.901 3.688 8.499 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.209 4.244 10.506 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.982 2.672 10.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.393 4.379 9.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.980 3.224 8.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.215 4.740 8.346 1.00 0.00 H new ATOM 1246 N GLU A 77 9.669 0.779 11.829 1.00 0.00 N ATOM 1247 CA GLU A 77 8.234 0.678 11.589 1.00 0.00 C ATOM 1248 C GLU A 77 7.867 1.267 10.230 1.00 0.00 C ATOM 1249 O GLU A 77 8.105 2.446 9.968 1.00 0.00 O ATOM 1250 CB GLU A 77 7.458 1.395 12.695 1.00 0.00 C ATOM 1251 CG GLU A 77 6.101 0.777 12.986 1.00 0.00 C ATOM 1252 CD GLU A 77 5.211 1.683 13.814 1.00 0.00 C ATOM 1253 OE1 GLU A 77 5.746 2.414 14.674 1.00 0.00 O ATOM 1254 OE2 GLU A 77 3.982 1.662 13.602 1.00 0.00 O ATOM 0 H GLU A 77 9.932 1.471 12.530 1.00 0.00 H new ATOM 0 HA GLU A 77 7.964 -0.378 11.592 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.054 1.389 13.608 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.319 2.438 12.412 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.602 0.546 12.045 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.242 -0.167 13.512 1.00 0.00 H new ATOM 1261 N VAL A 78 7.286 0.437 9.369 1.00 0.00 N ATOM 1262 CA VAL A 78 6.886 0.876 8.037 1.00 0.00 C ATOM 1263 C VAL A 78 5.403 1.231 7.998 1.00 0.00 C ATOM 1264 O VAL A 78 4.568 0.519 8.557 1.00 0.00 O ATOM 1265 CB VAL A 78 7.171 -0.208 6.980 1.00 0.00 C ATOM 1266 CG1 VAL A 78 8.505 -0.885 7.256 1.00 0.00 C ATOM 1267 CG2 VAL A 78 6.042 -1.228 6.946 1.00 0.00 C ATOM 0 H VAL A 78 7.082 -0.542 9.570 1.00 0.00 H new ATOM 0 HA VAL A 78 7.475 1.763 7.805 1.00 0.00 H new ATOM 0 HB VAL A 78 7.229 0.269 6.001 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.689 -1.648 6.499 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.303 -0.143 7.225 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.480 -1.350 8.241 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.259 -1.986 6.194 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.950 -1.702 7.923 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.107 -0.727 6.696 1.00 0.00 H new ATOM 1277 N LYS A 79 5.083 2.336 7.334 1.00 0.00 N ATOM 1278 CA LYS A 79 3.701 2.786 7.219 1.00 0.00 C ATOM 1279 C LYS A 79 3.106 2.379 5.875 1.00 0.00 C ATOM 1280 O LYS A 79 3.725 2.566 4.828 1.00 0.00 O ATOM 1281 CB LYS A 79 3.622 4.306 7.384 1.00 0.00 C ATOM 1282 CG LYS A 79 4.534 5.068 6.439 1.00 0.00 C ATOM 1283 CD LYS A 79 4.054 6.494 6.228 1.00 0.00 C ATOM 1284 CE LYS A 79 4.589 7.427 7.303 1.00 0.00 C ATOM 1285 NZ LYS A 79 5.963 7.906 6.988 1.00 0.00 N ATOM 0 H LYS A 79 5.762 2.937 6.867 1.00 0.00 H new ATOM 0 HA LYS A 79 3.124 2.310 8.011 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.593 4.628 7.221 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.878 4.565 8.411 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.547 5.080 6.841 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.578 4.552 5.480 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.375 6.846 5.247 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.964 6.517 6.234 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.921 8.282 7.407 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.596 6.910 8.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.389 8.323 7.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.544 7.106 6.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.917 8.624 6.238 1.00 0.00 H new ATOM 1299 N VAL A 80 1.899 1.823 5.912 1.00 0.00 N ATOM 1300 CA VAL A 80 1.219 1.392 4.696 1.00 0.00 C ATOM 1301 C VAL A 80 -0.181 1.990 4.608 1.00 0.00 C ATOM 1302 O VAL A 80 -0.997 1.822 5.512 1.00 0.00 O ATOM 1303 CB VAL A 80 1.114 -0.143 4.626 1.00 0.00 C ATOM 1304 CG1 VAL A 80 0.508 -0.577 3.300 1.00 0.00 C ATOM 1305 CG2 VAL A 80 2.480 -0.779 4.829 1.00 0.00 C ATOM 0 H VAL A 80 1.372 1.661 6.770 1.00 0.00 H new ATOM 0 HA VAL A 80 1.817 1.747 3.856 1.00 0.00 H new ATOM 0 HB VAL A 80 0.457 -0.482 5.427 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.442 -1.665 3.269 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.490 -0.150 3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.137 -0.228 2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.388 -1.864 4.777 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.161 -0.435 4.051 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.872 -0.495 5.806 1.00 0.00 H new ATOM 1315 N ASN A 81 -0.452 2.690 3.510 1.00 0.00 N ATOM 1316 CA ASN A 81 -1.754 3.314 3.303 1.00 0.00 C ATOM 1317 C ASN A 81 -2.248 3.080 1.879 1.00 0.00 C ATOM 1318 O ASN A 81 -1.482 2.680 1.003 1.00 0.00 O ATOM 1319 CB ASN A 81 -1.673 4.815 3.588 1.00 0.00 C ATOM 1320 CG ASN A 81 -3.040 5.473 3.612 1.00 0.00 C ATOM 1321 OD1 ASN A 81 -3.578 5.850 2.571 1.00 0.00 O ATOM 1322 ND2 ASN A 81 -3.608 5.613 4.804 1.00 0.00 N ATOM 0 H ASN A 81 0.213 2.839 2.751 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.463 2.858 3.994 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.179 4.974 4.547 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.055 5.294 2.828 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.527 6.048 4.883 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.125 5.286 5.641 1.00 0.00 H new ATOM 1329 N TRP A 82 -3.533 3.333 1.657 1.00 0.00 N ATOM 1330 CA TRP A 82 -4.130 3.150 0.339 1.00 0.00 C ATOM 1331 C TRP A 82 -3.562 4.152 -0.660 1.00 0.00 C ATOM 1332 O TRP A 82 -3.687 5.363 -0.477 1.00 0.00 O ATOM 1333 CB TRP A 82 -5.651 3.299 0.420 1.00 0.00 C ATOM 1334 CG TRP A 82 -6.323 2.154 1.115 1.00 0.00 C ATOM 1335 CD1 TRP A 82 -6.806 2.140 2.393 1.00 0.00 C ATOM 1336 CD2 TRP A 82 -6.586 0.857 0.571 1.00 0.00 C ATOM 1337 NE1 TRP A 82 -7.352 0.911 2.675 1.00 0.00 N ATOM 1338 CE2 TRP A 82 -7.231 0.106 1.574 1.00 0.00 C ATOM 1339 CE3 TRP A 82 -6.341 0.255 -0.667 1.00 0.00 C ATOM 1340 CZ2 TRP A 82 -7.631 -1.212 1.375 1.00 0.00 C ATOM 1341 CZ3 TRP A 82 -6.739 -1.053 -0.862 1.00 0.00 C ATOM 1342 CH2 TRP A 82 -7.378 -1.776 0.154 1.00 0.00 C ATOM 0 H TRP A 82 -4.181 3.665 2.372 1.00 0.00 H new ATOM 0 HA TRP A 82 -3.888 2.145 -0.005 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -5.891 4.224 0.944 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -6.054 3.390 -0.589 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -6.765 2.972 3.080 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -7.779 0.642 3.562 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.849 0.803 -1.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.124 -1.770 2.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -6.554 -1.527 -1.815 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -7.676 -2.798 -0.030 1.00 0.00 H new ATOM 1353 N ALA A 83 -2.939 3.641 -1.716 1.00 0.00 N ATOM 1354 CA ALA A 83 -2.354 4.491 -2.744 1.00 0.00 C ATOM 1355 C ALA A 83 -3.431 5.082 -3.648 1.00 0.00 C ATOM 1356 O ALA A 83 -3.992 4.390 -4.498 1.00 0.00 O ATOM 1357 CB ALA A 83 -1.344 3.705 -3.568 1.00 0.00 C ATOM 0 H ALA A 83 -2.826 2.641 -1.882 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.840 5.315 -2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.915 4.353 -4.332 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.551 3.337 -2.917 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.842 2.861 -4.046 1.00 0.00 H new