USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 570 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 GLN : amide:sc= -0.295 K(o=-1.5,f=-4.2!) USER MOD Set 1.2: A 84 GLN : amide:sc= -1.22! K(o=-1.5!,f=-4.8) USER MOD Set 2.1: A 46 GLN : amide:sc= -4.24! C(o=-7.9!,f=-13!) USER MOD Set 2.2: A 48 LYS NZ :NH3+ 162:sc= -3.69! (180deg=-1.38) USER MOD Set 3.1: A 26 CYS SG : rot 180:sc= -1.9 USER MOD Set 3.2: A 28 HIS : no HD1:sc= -3.73 K(o=-7.5,f=-6.1) USER MOD Set 3.3: A 53 TYR OH : rot 90:sc= -1.86 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 158:sc= -0.039 (180deg=-0.301) USER MOD Single : A 19 GLN : amide:sc= -0.158 K(o=-0.16,f=-2.3!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 180:sc= -1.71 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.188) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot -178:sc= -0.5 USER MOD Single : A 52 HIS : no HD1:sc= -0.899 K(o=-0.9,f=-0.35) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 170:sc= 1.14 (180deg=1.02) USER MOD Single : A 72 TYR OH : rot 165:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -1.88 X(o=-1.9,f=-1.4) USER MOD Single : A 78 GLN : amide:sc= -3.24! C(o=-3.2!,f=-4.8!) USER MOD Single : A 79 LYS NZ :NH3+ 152:sc= -5.54! (180deg=-7.64!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 158 N PRO A 14 6.409 18.564 3.586 1.00 0.00 N ATOM 159 CA PRO A 14 7.406 17.521 3.842 1.00 0.00 C ATOM 160 C PRO A 14 7.725 16.704 2.595 1.00 0.00 C ATOM 161 O PRO A 14 7.082 16.860 1.557 1.00 0.00 O ATOM 162 CB PRO A 14 6.735 16.641 4.901 1.00 0.00 C ATOM 163 CG PRO A 14 5.274 16.851 4.696 1.00 0.00 C ATOM 164 CD PRO A 14 5.121 18.275 4.237 1.00 0.00 C ATOM 0 HA PRO A 14 8.361 17.940 4.159 1.00 0.00 H new ATOM 0 HB2 PRO A 14 7.006 15.593 4.775 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.039 16.930 5.907 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.880 16.157 3.953 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.721 16.677 5.619 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.287 18.386 3.544 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.933 18.949 5.073 1.00 0.00 H new ATOM 172 N LYS A 15 8.721 15.832 2.703 1.00 0.00 N ATOM 173 CA LYS A 15 9.125 14.988 1.585 1.00 0.00 C ATOM 174 C LYS A 15 8.873 13.516 1.895 1.00 0.00 C ATOM 175 O LYS A 15 9.203 13.018 2.972 1.00 0.00 O ATOM 176 CB LYS A 15 10.606 15.206 1.263 1.00 0.00 C ATOM 177 CG LYS A 15 10.948 14.992 -0.201 1.00 0.00 C ATOM 178 CD LYS A 15 11.323 13.547 -0.481 1.00 0.00 C ATOM 179 CE LYS A 15 12.128 13.419 -1.765 1.00 0.00 C ATOM 180 NZ LYS A 15 13.559 13.774 -1.560 1.00 0.00 N ATOM 0 H LYS A 15 9.264 15.691 3.555 1.00 0.00 H new ATOM 0 HA LYS A 15 8.526 15.266 0.718 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.886 16.220 1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.205 14.527 1.870 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.096 15.274 -0.819 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.775 15.644 -0.481 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.902 13.152 0.354 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.419 12.943 -0.556 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.057 12.397 -2.138 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.699 14.067 -2.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.074 13.674 -2.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.629 14.757 -1.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.976 13.139 -0.850 1.00 0.00 H new ATOM 194 N PRO A 16 8.275 12.801 0.930 1.00 0.00 N ATOM 195 CA PRO A 16 7.968 11.375 1.076 1.00 0.00 C ATOM 196 C PRO A 16 9.222 10.508 1.077 1.00 0.00 C ATOM 197 O PRO A 16 10.283 10.932 0.617 1.00 0.00 O ATOM 198 CB PRO A 16 7.108 11.070 -0.152 1.00 0.00 C ATOM 199 CG PRO A 16 7.509 12.092 -1.159 1.00 0.00 C ATOM 200 CD PRO A 16 7.855 13.329 -0.379 1.00 0.00 C ATOM 0 HA PRO A 16 7.474 11.160 2.024 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.288 10.060 -0.520 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.046 11.140 0.082 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.362 11.749 -1.745 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.698 12.287 -1.861 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.653 13.896 -0.858 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.000 13.998 -0.287 1.00 0.00 H new ATOM 208 N LYS A 17 9.095 9.292 1.596 1.00 0.00 N ATOM 209 CA LYS A 17 10.218 8.364 1.656 1.00 0.00 C ATOM 210 C LYS A 17 10.170 7.377 0.494 1.00 0.00 C ATOM 211 O LYS A 17 11.201 7.029 -0.082 1.00 0.00 O ATOM 212 CB LYS A 17 10.208 7.604 2.984 1.00 0.00 C ATOM 213 CG LYS A 17 10.411 8.497 4.196 1.00 0.00 C ATOM 214 CD LYS A 17 10.460 7.689 5.482 1.00 0.00 C ATOM 215 CE LYS A 17 11.867 7.190 5.774 1.00 0.00 C ATOM 216 NZ LYS A 17 12.785 8.303 6.142 1.00 0.00 N ATOM 0 H LYS A 17 8.225 8.926 1.982 1.00 0.00 H new ATOM 0 HA LYS A 17 11.139 8.942 1.582 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.259 7.078 3.085 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.992 6.846 2.966 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.338 9.060 4.083 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.601 9.224 4.253 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.111 8.303 6.312 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.780 6.840 5.406 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.833 6.463 6.586 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.258 6.672 4.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.591 7.925 6.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.132 8.767 5.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 12.274 8.996 6.726 1.00 0.00 H new ATOM 230 N PHE A 18 8.966 6.929 0.152 1.00 0.00 N ATOM 231 CA PHE A 18 8.784 5.983 -0.942 1.00 0.00 C ATOM 232 C PHE A 18 8.534 6.714 -2.258 1.00 0.00 C ATOM 233 O PHE A 18 8.146 7.882 -2.266 1.00 0.00 O ATOM 234 CB PHE A 18 7.617 5.040 -0.640 1.00 0.00 C ATOM 235 CG PHE A 18 7.693 4.410 0.722 1.00 0.00 C ATOM 236 CD1 PHE A 18 7.320 5.122 1.851 1.00 0.00 C ATOM 237 CD2 PHE A 18 8.136 3.106 0.873 1.00 0.00 C ATOM 238 CE1 PHE A 18 7.390 4.545 3.105 1.00 0.00 C ATOM 239 CE2 PHE A 18 8.207 2.523 2.125 1.00 0.00 C ATOM 240 CZ PHE A 18 7.832 3.244 3.242 1.00 0.00 C ATOM 0 H PHE A 18 8.102 7.206 0.617 1.00 0.00 H new ATOM 0 HA PHE A 18 9.699 5.399 -1.040 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.682 5.594 -0.724 1.00 0.00 H new ATOM 0 HB3 PHE A 18 7.591 4.254 -1.394 1.00 0.00 H new ATOM 0 HD1 PHE A 18 6.971 6.139 1.750 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.429 2.538 0.003 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.099 5.111 3.977 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.555 1.506 2.229 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.884 2.791 4.221 1.00 0.00 H new ATOM 250 N GLN A 19 8.758 6.017 -3.367 1.00 0.00 N ATOM 251 CA GLN A 19 8.559 6.600 -4.688 1.00 0.00 C ATOM 252 C GLN A 19 7.554 5.786 -5.496 1.00 0.00 C ATOM 253 O GLN A 19 7.297 4.622 -5.192 1.00 0.00 O ATOM 254 CB GLN A 19 9.889 6.681 -5.439 1.00 0.00 C ATOM 255 CG GLN A 19 10.897 7.617 -4.792 1.00 0.00 C ATOM 256 CD GLN A 19 12.331 7.229 -5.094 1.00 0.00 C ATOM 257 OE1 GLN A 19 12.592 6.177 -5.679 1.00 0.00 O ATOM 258 NE2 GLN A 19 13.271 8.078 -4.697 1.00 0.00 N ATOM 0 H GLN A 19 9.077 5.048 -3.377 1.00 0.00 H new ATOM 0 HA GLN A 19 8.162 7.607 -4.557 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.322 5.683 -5.503 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.701 7.013 -6.460 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.719 8.634 -5.141 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.745 7.619 -3.713 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.011 8.939 -4.215 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.254 7.870 -4.874 1.00 0.00 H new ATOM 267 N GLU A 20 6.988 6.407 -6.527 1.00 0.00 N ATOM 268 CA GLU A 20 6.010 5.739 -7.377 1.00 0.00 C ATOM 269 C GLU A 20 6.664 4.621 -8.184 1.00 0.00 C ATOM 270 O GLU A 20 7.801 4.750 -8.636 1.00 0.00 O ATOM 271 CB GLU A 20 5.351 6.746 -8.322 1.00 0.00 C ATOM 272 CG GLU A 20 4.496 7.780 -7.608 1.00 0.00 C ATOM 273 CD GLU A 20 5.282 9.018 -7.220 1.00 0.00 C ATOM 274 OE1 GLU A 20 6.217 8.893 -6.401 1.00 0.00 O ATOM 275 OE2 GLU A 20 4.962 10.110 -7.733 1.00 0.00 O ATOM 0 H GLU A 20 7.190 7.371 -6.793 1.00 0.00 H new ATOM 0 HA GLU A 20 5.247 5.301 -6.734 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.126 7.258 -8.892 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.732 6.207 -9.039 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.666 8.068 -8.253 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.063 7.333 -6.713 1.00 0.00 H new ATOM 282 N GLY A 21 5.936 3.523 -8.361 1.00 0.00 N ATOM 283 CA GLY A 21 6.461 2.397 -9.112 1.00 0.00 C ATOM 284 C GLY A 21 7.264 1.446 -8.247 1.00 0.00 C ATOM 285 O GLY A 21 7.573 0.330 -8.663 1.00 0.00 O ATOM 0 H GLY A 21 4.992 3.393 -7.998 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.635 1.855 -9.572 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.091 2.766 -9.922 1.00 0.00 H new ATOM 289 N GLU A 22 7.605 1.890 -7.041 1.00 0.00 N ATOM 290 CA GLU A 22 8.379 1.070 -6.117 1.00 0.00 C ATOM 291 C GLU A 22 7.466 0.165 -5.296 1.00 0.00 C ATOM 292 O GLU A 22 6.538 0.635 -4.636 1.00 0.00 O ATOM 293 CB GLU A 22 9.208 1.957 -5.185 1.00 0.00 C ATOM 294 CG GLU A 22 9.897 1.191 -4.069 1.00 0.00 C ATOM 295 CD GLU A 22 11.192 1.843 -3.626 1.00 0.00 C ATOM 296 OE1 GLU A 22 11.959 2.296 -4.501 1.00 0.00 O ATOM 297 OE2 GLU A 22 11.438 1.902 -2.403 1.00 0.00 O ATOM 0 H GLU A 22 7.358 2.812 -6.682 1.00 0.00 H new ATOM 0 HA GLU A 22 9.051 0.443 -6.704 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.961 2.482 -5.772 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.559 2.715 -4.747 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.223 1.115 -3.216 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.103 0.175 -4.405 1.00 0.00 H new ATOM 304 N ARG A 23 7.734 -1.136 -5.342 1.00 0.00 N ATOM 305 CA ARG A 23 6.936 -2.108 -4.605 1.00 0.00 C ATOM 306 C ARG A 23 6.925 -1.782 -3.114 1.00 0.00 C ATOM 307 O ARG A 23 7.948 -1.408 -2.541 1.00 0.00 O ATOM 308 CB ARG A 23 7.482 -3.520 -4.825 1.00 0.00 C ATOM 309 CG ARG A 23 6.555 -4.616 -4.325 1.00 0.00 C ATOM 310 CD ARG A 23 7.128 -5.997 -4.598 1.00 0.00 C ATOM 311 NE ARG A 23 6.726 -6.508 -5.906 1.00 0.00 N ATOM 312 CZ ARG A 23 7.392 -6.259 -7.028 1.00 0.00 C ATOM 313 NH1 ARG A 23 8.487 -5.512 -7.002 1.00 0.00 N ATOM 314 NH2 ARG A 23 6.963 -6.759 -8.180 1.00 0.00 N ATOM 0 H ARG A 23 8.498 -1.541 -5.882 1.00 0.00 H new ATOM 0 HA ARG A 23 5.913 -2.059 -4.978 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.665 -3.668 -5.889 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.444 -3.611 -4.321 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.390 -4.494 -3.254 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.583 -4.522 -4.810 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.216 -5.955 -4.544 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.797 -6.687 -3.822 1.00 0.00 H new ATOM 0 HE ARG A 23 5.888 -7.087 -5.961 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.821 -5.126 -6.119 1.00 0.00 H new ATOM 0 HH12 ARG A 23 8.996 -5.323 -7.865 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.121 -7.335 -8.204 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.475 -6.567 -9.041 1.00 0.00 H new ATOM 328 N VAL A 24 5.759 -1.927 -2.491 1.00 0.00 N ATOM 329 CA VAL A 24 5.614 -1.649 -1.067 1.00 0.00 C ATOM 330 C VAL A 24 4.486 -2.475 -0.459 1.00 0.00 C ATOM 331 O VAL A 24 3.655 -3.034 -1.175 1.00 0.00 O ATOM 332 CB VAL A 24 5.338 -0.156 -0.812 1.00 0.00 C ATOM 333 CG1 VAL A 24 6.595 0.668 -1.047 1.00 0.00 C ATOM 334 CG2 VAL A 24 4.198 0.333 -1.693 1.00 0.00 C ATOM 0 H VAL A 24 4.902 -2.235 -2.950 1.00 0.00 H new ATOM 0 HA VAL A 24 6.557 -1.922 -0.593 1.00 0.00 H new ATOM 0 HB VAL A 24 5.041 -0.032 0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.380 1.720 -0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.381 0.334 -0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.926 0.541 -2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.016 1.390 -1.500 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.464 0.196 -2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.296 -0.237 -1.470 1.00 0.00 H new ATOM 344 N LEU A 25 4.462 -2.547 0.868 1.00 0.00 N ATOM 345 CA LEU A 25 3.434 -3.304 1.574 1.00 0.00 C ATOM 346 C LEU A 25 2.431 -2.369 2.241 1.00 0.00 C ATOM 347 O LEU A 25 2.780 -1.611 3.147 1.00 0.00 O ATOM 348 CB LEU A 25 4.075 -4.215 2.623 1.00 0.00 C ATOM 349 CG LEU A 25 4.936 -5.357 2.084 1.00 0.00 C ATOM 350 CD1 LEU A 25 5.707 -6.024 3.213 1.00 0.00 C ATOM 351 CD2 LEU A 25 4.075 -6.374 1.350 1.00 0.00 C ATOM 0 H LEU A 25 5.142 -2.091 1.476 1.00 0.00 H new ATOM 0 HA LEU A 25 2.903 -3.916 0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.691 -3.601 3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.282 -4.643 3.237 1.00 0.00 H new ATOM 0 HG LEU A 25 5.654 -4.942 1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.314 -6.834 2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.354 -5.291 3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.006 -6.425 3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.705 -7.180 0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.333 -6.784 2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.570 -5.888 0.515 1.00 0.00 H new ATOM 363 N CYS A 26 1.183 -2.429 1.789 1.00 0.00 N ATOM 364 CA CYS A 26 0.128 -1.589 2.343 1.00 0.00 C ATOM 365 C CYS A 26 -0.667 -2.342 3.405 1.00 0.00 C ATOM 366 O CYS A 26 -0.808 -3.563 3.339 1.00 0.00 O ATOM 367 CB CYS A 26 -0.808 -1.111 1.232 1.00 0.00 C ATOM 368 SG CYS A 26 -2.450 -0.621 1.809 1.00 0.00 S ATOM 0 H CYS A 26 0.877 -3.051 1.040 1.00 0.00 H new ATOM 0 HA CYS A 26 0.596 -0.723 2.812 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.347 -0.265 0.722 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.916 -1.907 0.495 1.00 0.00 H new ATOM 0 HG CYS A 26 -3.167 -0.231 0.797 1.00 0.00 H new ATOM 374 N PHE A 27 -1.182 -1.606 4.384 1.00 0.00 N ATOM 375 CA PHE A 27 -1.960 -2.205 5.462 1.00 0.00 C ATOM 376 C PHE A 27 -3.454 -2.127 5.163 1.00 0.00 C ATOM 377 O PHE A 27 -4.069 -1.067 5.286 1.00 0.00 O ATOM 378 CB PHE A 27 -1.657 -1.505 6.788 1.00 0.00 C ATOM 379 CG PHE A 27 -0.569 -2.169 7.582 1.00 0.00 C ATOM 380 CD1 PHE A 27 -0.815 -3.348 8.268 1.00 0.00 C ATOM 381 CD2 PHE A 27 0.699 -1.616 7.643 1.00 0.00 C ATOM 382 CE1 PHE A 27 0.184 -3.962 9.000 1.00 0.00 C ATOM 383 CE2 PHE A 27 1.702 -2.226 8.372 1.00 0.00 C ATOM 384 CZ PHE A 27 1.444 -3.400 9.052 1.00 0.00 C ATOM 0 H PHE A 27 -1.075 -0.594 4.453 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.677 -3.255 5.540 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.371 -0.473 6.587 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.566 -1.473 7.389 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.799 -3.792 8.230 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.907 -0.697 7.115 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.021 -4.880 9.531 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.687 -1.785 8.410 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.226 -3.878 9.623 1.00 0.00 H new ATOM 394 N HIS A 28 -4.032 -3.257 4.768 1.00 0.00 N ATOM 395 CA HIS A 28 -5.455 -3.318 4.450 1.00 0.00 C ATOM 396 C HIS A 28 -6.215 -4.108 5.511 1.00 0.00 C ATOM 397 O HIS A 28 -7.207 -4.771 5.213 1.00 0.00 O ATOM 398 CB HIS A 28 -5.666 -3.954 3.076 1.00 0.00 C ATOM 399 CG HIS A 28 -6.945 -3.543 2.415 1.00 0.00 C ATOM 400 ND1 HIS A 28 -7.479 -4.205 1.330 1.00 0.00 N ATOM 401 CD2 HIS A 28 -7.800 -2.531 2.694 1.00 0.00 C ATOM 402 CE1 HIS A 28 -8.605 -3.617 0.968 1.00 0.00 C ATOM 403 NE2 HIS A 28 -8.823 -2.598 1.781 1.00 0.00 N ATOM 0 H HIS A 28 -3.538 -4.143 4.660 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.842 -2.299 4.433 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.830 -3.687 2.429 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -5.653 -5.039 3.181 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.696 -1.806 3.487 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.240 -3.918 0.147 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.621 -1.965 1.737 1.00 0.00 H new ATOM 412 N GLY A 29 -5.741 -4.032 6.751 1.00 0.00 N ATOM 413 CA GLY A 29 -6.388 -4.745 7.837 1.00 0.00 C ATOM 414 C GLY A 29 -5.395 -5.454 8.738 1.00 0.00 C ATOM 415 O GLY A 29 -4.237 -5.053 8.857 1.00 0.00 O ATOM 0 H GLY A 29 -4.921 -3.490 7.023 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.975 -4.043 8.430 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.085 -5.475 7.424 1.00 0.00 H new ATOM 419 N PRO A 30 -5.850 -6.532 9.393 1.00 0.00 N ATOM 420 CA PRO A 30 -5.009 -7.320 10.300 1.00 0.00 C ATOM 421 C PRO A 30 -3.932 -8.103 9.558 1.00 0.00 C ATOM 422 O PRO A 30 -3.176 -8.865 10.163 1.00 0.00 O ATOM 423 CB PRO A 30 -6.003 -8.276 10.964 1.00 0.00 C ATOM 424 CG PRO A 30 -7.121 -8.400 9.986 1.00 0.00 C ATOM 425 CD PRO A 30 -7.219 -7.066 9.298 1.00 0.00 C ATOM 0 HA PRO A 30 -4.467 -6.689 11.005 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.546 -9.244 11.167 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.354 -7.883 11.918 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.925 -9.196 9.268 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.055 -8.649 10.490 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.538 -7.171 8.261 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.940 -6.413 9.789 1.00 0.00 H new ATOM 433 N LEU A 31 -3.866 -7.912 8.245 1.00 0.00 N ATOM 434 CA LEU A 31 -2.879 -8.600 7.420 1.00 0.00 C ATOM 435 C LEU A 31 -2.297 -7.660 6.369 1.00 0.00 C ATOM 436 O LEU A 31 -2.851 -6.594 6.099 1.00 0.00 O ATOM 437 CB LEU A 31 -3.513 -9.815 6.739 1.00 0.00 C ATOM 438 CG LEU A 31 -4.235 -10.799 7.660 1.00 0.00 C ATOM 439 CD1 LEU A 31 -5.382 -11.474 6.924 1.00 0.00 C ATOM 440 CD2 LEU A 31 -3.262 -11.836 8.201 1.00 0.00 C ATOM 0 H LEU A 31 -4.484 -7.286 7.729 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.070 -8.935 8.069 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.223 -9.459 5.993 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.732 -10.355 6.204 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.647 -10.244 8.502 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.885 -12.171 7.595 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.092 -10.719 6.587 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.992 -12.016 6.063 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.794 -12.528 8.854 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.820 -12.388 7.371 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.474 -11.337 8.765 1.00 0.00 H new ATOM 452 N LEU A 32 -1.178 -8.063 5.778 1.00 0.00 N ATOM 453 CA LEU A 32 -0.521 -7.258 4.754 1.00 0.00 C ATOM 454 C LEU A 32 -0.933 -7.711 3.357 1.00 0.00 C ATOM 455 O LEU A 32 -1.312 -8.865 3.154 1.00 0.00 O ATOM 456 CB LEU A 32 0.999 -7.348 4.903 1.00 0.00 C ATOM 457 CG LEU A 32 1.630 -6.402 5.925 1.00 0.00 C ATOM 458 CD1 LEU A 32 3.123 -6.668 6.048 1.00 0.00 C ATOM 459 CD2 LEU A 32 1.375 -4.952 5.537 1.00 0.00 C ATOM 0 H LEU A 32 -0.706 -8.942 5.990 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.833 -6.222 4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.257 -8.371 5.177 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.452 -7.154 3.930 1.00 0.00 H new ATOM 0 HG LEU A 32 1.168 -6.585 6.895 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.555 -5.985 6.780 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.284 -7.696 6.372 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.601 -6.513 5.081 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.831 -4.292 6.275 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.810 -4.756 4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.301 -4.769 5.501 1.00 0.00 H new ATOM 471 N TYR A 33 -0.856 -6.796 2.397 1.00 0.00 N ATOM 472 CA TYR A 33 -1.221 -7.102 1.019 1.00 0.00 C ATOM 473 C TYR A 33 -0.214 -6.502 0.043 1.00 0.00 C ATOM 474 O TYR A 33 0.165 -5.338 0.163 1.00 0.00 O ATOM 475 CB TYR A 33 -2.623 -6.573 0.712 1.00 0.00 C ATOM 476 CG TYR A 33 -3.691 -7.116 1.634 1.00 0.00 C ATOM 477 CD1 TYR A 33 -3.763 -6.711 2.961 1.00 0.00 C ATOM 478 CD2 TYR A 33 -4.628 -8.035 1.178 1.00 0.00 C ATOM 479 CE1 TYR A 33 -4.737 -7.206 3.807 1.00 0.00 C ATOM 480 CE2 TYR A 33 -5.606 -8.534 2.016 1.00 0.00 C ATOM 481 CZ TYR A 33 -5.656 -8.117 3.330 1.00 0.00 C ATOM 482 OH TYR A 33 -6.628 -8.612 4.169 1.00 0.00 O ATOM 0 H TYR A 33 -0.544 -5.837 2.548 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.214 -8.185 0.900 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.615 -5.485 0.780 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.880 -6.826 -0.317 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.045 -5.997 3.338 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.591 -8.365 0.150 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.778 -6.881 4.836 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.328 -9.247 1.645 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.195 -9.242 3.677 1.00 0.00 H new ATOM 492 N GLU A 34 0.214 -7.307 -0.925 1.00 0.00 N ATOM 493 CA GLU A 34 1.177 -6.856 -1.923 1.00 0.00 C ATOM 494 C GLU A 34 0.616 -5.690 -2.732 1.00 0.00 C ATOM 495 O GLU A 34 -0.438 -5.805 -3.357 1.00 0.00 O ATOM 496 CB GLU A 34 1.552 -8.007 -2.858 1.00 0.00 C ATOM 497 CG GLU A 34 2.656 -7.657 -3.842 1.00 0.00 C ATOM 498 CD GLU A 34 2.852 -8.723 -4.903 1.00 0.00 C ATOM 499 OE1 GLU A 34 1.975 -8.855 -5.781 1.00 0.00 O ATOM 500 OE2 GLU A 34 3.884 -9.425 -4.853 1.00 0.00 O ATOM 0 H GLU A 34 -0.091 -8.274 -1.039 1.00 0.00 H new ATOM 0 HA GLU A 34 2.071 -6.516 -1.401 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.868 -8.862 -2.260 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.666 -8.316 -3.413 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.420 -6.709 -4.325 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.590 -7.515 -3.299 1.00 0.00 H new ATOM 507 N ALA A 35 1.330 -4.569 -2.716 1.00 0.00 N ATOM 508 CA ALA A 35 0.905 -3.383 -3.449 1.00 0.00 C ATOM 509 C ALA A 35 2.106 -2.569 -3.918 1.00 0.00 C ATOM 510 O ALA A 35 3.246 -2.858 -3.554 1.00 0.00 O ATOM 511 CB ALA A 35 -0.010 -2.528 -2.584 1.00 0.00 C ATOM 0 H ALA A 35 2.205 -4.458 -2.204 1.00 0.00 H new ATOM 0 HA ALA A 35 0.353 -3.709 -4.331 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.320 -1.646 -3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.890 -3.107 -2.303 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.524 -2.219 -1.685 1.00 0.00 H new ATOM 517 N LYS A 36 1.844 -1.550 -4.729 1.00 0.00 N ATOM 518 CA LYS A 36 2.902 -0.692 -5.249 1.00 0.00 C ATOM 519 C LYS A 36 2.498 0.777 -5.174 1.00 0.00 C ATOM 520 O LYS A 36 1.330 1.119 -5.361 1.00 0.00 O ATOM 521 CB LYS A 36 3.229 -1.070 -6.695 1.00 0.00 C ATOM 522 CG LYS A 36 4.148 -0.080 -7.389 1.00 0.00 C ATOM 523 CD LYS A 36 3.362 1.017 -8.087 1.00 0.00 C ATOM 524 CE LYS A 36 2.961 0.606 -9.495 1.00 0.00 C ATOM 525 NZ LYS A 36 2.703 1.787 -10.365 1.00 0.00 N ATOM 0 H LYS A 36 0.906 -1.298 -5.041 1.00 0.00 H new ATOM 0 HA LYS A 36 3.789 -0.838 -4.633 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.694 -2.056 -6.708 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.300 -1.149 -7.260 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.824 0.364 -6.658 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.766 -0.605 -8.117 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.469 1.252 -7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.963 1.926 -8.129 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.751 -0.003 -9.934 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.066 -0.015 -9.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.432 1.465 -11.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.932 2.355 -9.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.564 2.367 -10.428 1.00 0.00 H new ATOM 539 N CYS A 37 3.471 1.640 -4.902 1.00 0.00 N ATOM 540 CA CYS A 37 3.216 3.073 -4.804 1.00 0.00 C ATOM 541 C CYS A 37 2.756 3.636 -6.145 1.00 0.00 C ATOM 542 O CYS A 37 3.569 3.909 -7.028 1.00 0.00 O ATOM 543 CB CYS A 37 4.474 3.805 -4.334 1.00 0.00 C ATOM 544 SG CYS A 37 4.144 5.340 -3.439 1.00 0.00 S ATOM 0 H CYS A 37 4.443 1.373 -4.746 1.00 0.00 H new ATOM 0 HA CYS A 37 2.421 3.227 -4.074 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.050 3.139 -3.691 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.096 4.029 -5.201 1.00 0.00 H new ATOM 0 HG CYS A 37 5.269 5.884 -3.082 1.00 0.00 H new ATOM 550 N VAL A 38 1.446 3.806 -6.291 1.00 0.00 N ATOM 551 CA VAL A 38 0.877 4.337 -7.524 1.00 0.00 C ATOM 552 C VAL A 38 1.092 5.842 -7.626 1.00 0.00 C ATOM 553 O VAL A 38 1.426 6.363 -8.691 1.00 0.00 O ATOM 554 CB VAL A 38 -0.631 4.038 -7.620 1.00 0.00 C ATOM 555 CG1 VAL A 38 -1.143 4.318 -9.025 1.00 0.00 C ATOM 556 CG2 VAL A 38 -0.915 2.598 -7.218 1.00 0.00 C ATOM 0 H VAL A 38 0.759 3.584 -5.571 1.00 0.00 H new ATOM 0 HA VAL A 38 1.392 3.843 -8.348 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.159 4.696 -6.929 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.210 4.101 -9.073 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.974 5.366 -9.272 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.612 3.688 -9.738 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.985 2.404 -7.292 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.377 1.922 -7.883 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.587 2.435 -6.191 1.00 0.00 H new ATOM 566 N LYS A 39 0.900 6.539 -6.511 1.00 0.00 N ATOM 567 CA LYS A 39 1.075 7.986 -6.472 1.00 0.00 C ATOM 568 C LYS A 39 1.502 8.445 -5.082 1.00 0.00 C ATOM 569 O LYS A 39 1.398 7.697 -4.110 1.00 0.00 O ATOM 570 CB LYS A 39 -0.223 8.688 -6.876 1.00 0.00 C ATOM 571 CG LYS A 39 -0.632 8.430 -8.316 1.00 0.00 C ATOM 572 CD LYS A 39 -1.958 9.093 -8.647 1.00 0.00 C ATOM 573 CE LYS A 39 -2.375 8.820 -10.084 1.00 0.00 C ATOM 574 NZ LYS A 39 -1.738 9.772 -11.037 1.00 0.00 N ATOM 0 H LYS A 39 0.623 6.124 -5.621 1.00 0.00 H new ATOM 0 HA LYS A 39 1.860 8.251 -7.180 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.025 8.359 -6.215 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.107 9.762 -6.727 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.141 8.805 -8.987 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.709 7.356 -8.486 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.728 8.727 -7.968 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.878 10.168 -8.488 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.103 7.800 -10.354 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.459 8.893 -10.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.047 9.553 -12.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.018 10.744 -10.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.704 9.684 -10.976 1.00 0.00 H new ATOM 588 N VAL A 40 1.983 9.682 -4.994 1.00 0.00 N ATOM 589 CA VAL A 40 2.424 10.241 -3.722 1.00 0.00 C ATOM 590 C VAL A 40 1.949 11.681 -3.561 1.00 0.00 C ATOM 591 O VAL A 40 2.454 12.589 -4.221 1.00 0.00 O ATOM 592 CB VAL A 40 3.958 10.201 -3.592 1.00 0.00 C ATOM 593 CG1 VAL A 40 4.392 10.692 -2.219 1.00 0.00 C ATOM 594 CG2 VAL A 40 4.478 8.796 -3.854 1.00 0.00 C ATOM 0 H VAL A 40 2.077 10.315 -5.788 1.00 0.00 H new ATOM 0 HA VAL A 40 1.985 9.626 -2.937 1.00 0.00 H new ATOM 0 HB VAL A 40 4.386 10.868 -4.341 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.479 10.656 -2.147 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.052 11.718 -2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.956 10.054 -1.450 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.564 8.786 -3.758 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.043 8.106 -3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.200 8.487 -4.862 1.00 0.00 H new ATOM 604 N ALA A 41 0.975 11.882 -2.680 1.00 0.00 N ATOM 605 CA ALA A 41 0.433 13.212 -2.430 1.00 0.00 C ATOM 606 C ALA A 41 0.666 13.637 -0.984 1.00 0.00 C ATOM 607 O ALA A 41 1.015 12.817 -0.135 1.00 0.00 O ATOM 608 CB ALA A 41 -1.052 13.248 -2.761 1.00 0.00 C ATOM 0 H ALA A 41 0.545 11.141 -2.127 1.00 0.00 H new ATOM 0 HA ALA A 41 0.955 13.917 -3.077 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.443 14.247 -2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.197 12.997 -3.812 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.581 12.526 -2.139 1.00 0.00 H new ATOM 614 N ILE A 42 0.471 14.923 -0.712 1.00 0.00 N ATOM 615 CA ILE A 42 0.659 15.456 0.632 1.00 0.00 C ATOM 616 C ILE A 42 -0.422 16.474 0.976 1.00 0.00 C ATOM 617 O ILE A 42 -0.524 17.526 0.344 1.00 0.00 O ATOM 618 CB ILE A 42 2.041 16.119 0.786 1.00 0.00 C ATOM 619 CG1 ILE A 42 3.150 15.117 0.460 1.00 0.00 C ATOM 620 CG2 ILE A 42 2.211 16.668 2.194 1.00 0.00 C ATOM 621 CD1 ILE A 42 4.446 15.769 0.030 1.00 0.00 C ATOM 0 H ILE A 42 0.183 15.615 -1.404 1.00 0.00 H new ATOM 0 HA ILE A 42 0.591 14.612 1.319 1.00 0.00 H new ATOM 0 HB ILE A 42 2.110 16.950 0.083 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.338 14.497 1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.807 14.452 -0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.192 17.133 2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.437 17.410 2.391 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.125 15.855 2.914 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.187 14.999 -0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.273 16.366 -0.865 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.813 16.412 0.830 1.00 0.00 H new ATOM 633 N LYS A 43 -1.228 16.155 1.983 1.00 0.00 N ATOM 634 CA LYS A 43 -2.302 17.043 2.415 1.00 0.00 C ATOM 635 C LYS A 43 -2.596 16.858 3.900 1.00 0.00 C ATOM 636 O LYS A 43 -2.059 15.954 4.541 1.00 0.00 O ATOM 637 CB LYS A 43 -3.568 16.782 1.596 1.00 0.00 C ATOM 638 CG LYS A 43 -4.015 15.330 1.614 1.00 0.00 C ATOM 639 CD LYS A 43 -5.520 15.208 1.439 1.00 0.00 C ATOM 640 CE LYS A 43 -5.910 15.187 -0.031 1.00 0.00 C ATOM 641 NZ LYS A 43 -6.033 16.561 -0.591 1.00 0.00 N ATOM 0 H LYS A 43 -1.158 15.288 2.516 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.978 18.071 2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.374 17.407 1.980 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.393 17.087 0.564 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.510 14.783 0.818 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.719 14.869 2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.871 14.296 1.923 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.014 16.043 1.936 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.164 14.630 -0.597 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.857 14.661 -0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.811 16.587 -1.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.229 17.233 0.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.144 16.824 -1.063 1.00 0.00 H new ATOM 655 N ASP A 44 -3.452 17.717 4.440 1.00 0.00 N ATOM 656 CA ASP A 44 -3.820 17.647 5.850 1.00 0.00 C ATOM 657 C ASP A 44 -2.583 17.486 6.727 1.00 0.00 C ATOM 658 O ASP A 44 -2.634 16.854 7.783 1.00 0.00 O ATOM 659 CB ASP A 44 -4.785 16.484 6.089 1.00 0.00 C ATOM 660 CG ASP A 44 -6.236 16.893 5.928 1.00 0.00 C ATOM 661 OD1 ASP A 44 -6.548 18.079 6.164 1.00 0.00 O ATOM 662 OD2 ASP A 44 -7.059 16.027 5.565 1.00 0.00 O ATOM 0 H ASP A 44 -3.905 18.471 3.923 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.314 18.581 6.118 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.558 15.678 5.391 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.631 16.089 7.093 1.00 0.00 H new ATOM 667 N LYS A 45 -1.470 18.061 6.283 1.00 0.00 N ATOM 668 CA LYS A 45 -0.218 17.982 7.026 1.00 0.00 C ATOM 669 C LYS A 45 0.243 16.534 7.164 1.00 0.00 C ATOM 670 O LYS A 45 0.781 16.142 8.199 1.00 0.00 O ATOM 671 CB LYS A 45 -0.384 18.610 8.412 1.00 0.00 C ATOM 672 CG LYS A 45 -0.103 20.102 8.441 1.00 0.00 C ATOM 673 CD LYS A 45 -1.363 20.912 8.188 1.00 0.00 C ATOM 674 CE LYS A 45 -1.541 21.219 6.709 1.00 0.00 C ATOM 675 NZ LYS A 45 -2.888 21.783 6.417 1.00 0.00 N ATOM 0 H LYS A 45 -1.410 18.587 5.411 1.00 0.00 H new ATOM 0 HA LYS A 45 0.540 18.535 6.471 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.401 18.433 8.762 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.285 18.109 9.111 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.318 20.375 9.409 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.645 20.347 7.687 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.230 20.362 8.553 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.317 21.844 8.751 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.775 21.926 6.390 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.395 20.308 6.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.969 21.978 5.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.619 21.099 6.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.018 22.666 6.950 1.00 0.00 H new ATOM 689 N GLN A 46 0.029 15.748 6.114 1.00 0.00 N ATOM 690 CA GLN A 46 0.424 14.344 6.120 1.00 0.00 C ATOM 691 C GLN A 46 0.729 13.859 4.706 1.00 0.00 C ATOM 692 O GLN A 46 0.114 14.307 3.739 1.00 0.00 O ATOM 693 CB GLN A 46 -0.678 13.484 6.740 1.00 0.00 C ATOM 694 CG GLN A 46 -1.732 13.033 5.742 1.00 0.00 C ATOM 695 CD GLN A 46 -2.748 12.088 6.352 1.00 0.00 C ATOM 696 OE1 GLN A 46 -2.438 11.339 7.279 1.00 0.00 O ATOM 697 NE2 GLN A 46 -3.971 12.119 5.835 1.00 0.00 N ATOM 0 H GLN A 46 -0.415 16.058 5.250 1.00 0.00 H new ATOM 0 HA GLN A 46 1.329 14.250 6.721 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.226 12.605 7.200 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.162 14.048 7.537 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.248 13.907 5.344 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.243 12.541 4.901 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.184 12.756 5.067 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.697 11.506 6.206 1.00 0.00 H new ATOM 706 N VAL A 47 1.683 12.940 4.594 1.00 0.00 N ATOM 707 CA VAL A 47 2.069 12.394 3.299 1.00 0.00 C ATOM 708 C VAL A 47 1.343 11.084 3.016 1.00 0.00 C ATOM 709 O VAL A 47 1.419 10.137 3.799 1.00 0.00 O ATOM 710 CB VAL A 47 3.589 12.152 3.222 1.00 0.00 C ATOM 711 CG1 VAL A 47 4.032 11.994 1.775 1.00 0.00 C ATOM 712 CG2 VAL A 47 4.343 13.287 3.898 1.00 0.00 C ATOM 0 H VAL A 47 2.202 12.558 5.385 1.00 0.00 H new ATOM 0 HA VAL A 47 1.787 13.132 2.548 1.00 0.00 H new ATOM 0 HB VAL A 47 3.820 11.227 3.750 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.108 11.824 1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.516 11.145 1.327 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.790 12.900 1.219 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.415 13.100 3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.108 14.227 3.399 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.047 13.348 4.945 1.00 0.00 H new ATOM 722 N LYS A 48 0.637 11.035 1.891 1.00 0.00 N ATOM 723 CA LYS A 48 -0.104 9.841 1.503 1.00 0.00 C ATOM 724 C LYS A 48 0.493 9.216 0.245 1.00 0.00 C ATOM 725 O LYS A 48 1.344 9.815 -0.412 1.00 0.00 O ATOM 726 CB LYS A 48 -1.576 10.183 1.266 1.00 0.00 C ATOM 727 CG LYS A 48 -2.355 10.438 2.545 1.00 0.00 C ATOM 728 CD LYS A 48 -2.975 9.161 3.085 1.00 0.00 C ATOM 729 CE LYS A 48 -3.817 9.429 4.323 1.00 0.00 C ATOM 730 NZ LYS A 48 -2.997 9.412 5.566 1.00 0.00 N ATOM 0 H LYS A 48 0.563 11.810 1.232 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.032 9.119 2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.637 11.067 0.631 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.047 9.365 0.721 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.692 10.867 3.296 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.138 11.172 2.355 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.595 8.703 2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.188 8.447 3.327 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.308 10.397 4.225 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.604 8.678 4.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.517 9.886 6.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.801 8.428 5.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.100 9.910 5.397 1.00 0.00 H new ATOM 744 N TYR A 49 0.039 8.012 -0.084 1.00 0.00 N ATOM 745 CA TYR A 49 0.528 7.307 -1.262 1.00 0.00 C ATOM 746 C TYR A 49 -0.559 6.414 -1.853 1.00 0.00 C ATOM 747 O TYR A 49 -1.061 5.506 -1.190 1.00 0.00 O ATOM 748 CB TYR A 49 1.756 6.467 -0.907 1.00 0.00 C ATOM 749 CG TYR A 49 2.761 7.199 -0.046 1.00 0.00 C ATOM 750 CD1 TYR A 49 2.442 7.591 1.248 1.00 0.00 C ATOM 751 CD2 TYR A 49 4.030 7.497 -0.526 1.00 0.00 C ATOM 752 CE1 TYR A 49 3.357 8.260 2.038 1.00 0.00 C ATOM 753 CE2 TYR A 49 4.952 8.165 0.257 1.00 0.00 C ATOM 754 CZ TYR A 49 4.610 8.545 1.538 1.00 0.00 C ATOM 755 OH TYR A 49 5.525 9.210 2.322 1.00 0.00 O ATOM 0 H TYR A 49 -0.667 7.504 0.449 1.00 0.00 H new ATOM 0 HA TYR A 49 0.808 8.050 -2.008 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.432 5.566 -0.386 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.244 6.145 -1.827 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.462 7.369 1.643 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.301 7.201 -1.529 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.092 8.558 3.042 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.935 8.388 -0.132 1.00 0.00 H new ATOM 0 HH TYR A 49 6.347 9.360 1.810 1.00 0.00 H new ATOM 765 N PHE A 50 -0.917 6.678 -3.105 1.00 0.00 N ATOM 766 CA PHE A 50 -1.944 5.900 -3.787 1.00 0.00 C ATOM 767 C PHE A 50 -1.497 4.452 -3.971 1.00 0.00 C ATOM 768 O PHE A 50 -0.704 4.144 -4.861 1.00 0.00 O ATOM 769 CB PHE A 50 -2.266 6.522 -5.147 1.00 0.00 C ATOM 770 CG PHE A 50 -3.428 5.872 -5.844 1.00 0.00 C ATOM 771 CD1 PHE A 50 -4.563 5.510 -5.135 1.00 0.00 C ATOM 772 CD2 PHE A 50 -3.386 5.625 -7.206 1.00 0.00 C ATOM 773 CE1 PHE A 50 -5.633 4.912 -5.773 1.00 0.00 C ATOM 774 CE2 PHE A 50 -4.453 5.027 -7.850 1.00 0.00 C ATOM 775 CZ PHE A 50 -5.578 4.671 -7.132 1.00 0.00 C ATOM 0 H PHE A 50 -0.511 7.425 -3.668 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.842 5.909 -3.169 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.481 7.582 -5.011 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.385 6.455 -5.786 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.611 5.697 -4.072 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.509 5.903 -7.772 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.511 4.633 -5.210 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -4.407 4.839 -8.912 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.414 4.205 -7.633 1.00 0.00 H new ATOM 785 N ILE A 51 -2.011 3.569 -3.122 1.00 0.00 N ATOM 786 CA ILE A 51 -1.666 2.154 -3.190 1.00 0.00 C ATOM 787 C ILE A 51 -2.515 1.431 -4.230 1.00 0.00 C ATOM 788 O ILE A 51 -3.644 1.832 -4.514 1.00 0.00 O ATOM 789 CB ILE A 51 -1.849 1.464 -1.825 1.00 0.00 C ATOM 790 CG1 ILE A 51 -0.891 2.064 -0.794 1.00 0.00 C ATOM 791 CG2 ILE A 51 -1.623 -0.035 -1.956 1.00 0.00 C ATOM 792 CD1 ILE A 51 0.564 1.978 -1.197 1.00 0.00 C ATOM 0 H ILE A 51 -2.668 3.808 -2.379 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.616 2.098 -3.479 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.871 1.630 -1.484 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.153 3.110 -0.632 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.027 1.550 0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.756 -0.509 -0.984 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.341 -0.451 -2.663 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.611 -0.220 -2.315 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.184 2.423 -0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.843 0.933 -1.331 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.715 2.516 -2.133 1.00 0.00 H new ATOM 804 N HIS A 52 -1.965 0.361 -4.795 1.00 0.00 N ATOM 805 CA HIS A 52 -2.672 -0.421 -5.803 1.00 0.00 C ATOM 806 C HIS A 52 -2.619 -1.909 -5.471 1.00 0.00 C ATOM 807 O HIS A 52 -1.629 -2.584 -5.755 1.00 0.00 O ATOM 808 CB HIS A 52 -2.070 -0.173 -7.186 1.00 0.00 C ATOM 809 CG HIS A 52 -2.319 -1.287 -8.156 1.00 0.00 C ATOM 810 ND1 HIS A 52 -3.498 -1.427 -8.856 1.00 0.00 N ATOM 811 CD2 HIS A 52 -1.530 -2.317 -8.542 1.00 0.00 C ATOM 812 CE1 HIS A 52 -3.425 -2.495 -9.629 1.00 0.00 C ATOM 813 NE2 HIS A 52 -2.240 -3.053 -9.457 1.00 0.00 N ATOM 0 H HIS A 52 -1.032 0.016 -4.572 1.00 0.00 H new ATOM 0 HA HIS A 52 -3.715 -0.105 -5.808 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.482 0.751 -7.592 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.995 -0.024 -7.084 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -0.528 -2.521 -8.194 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.202 -2.852 -10.289 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -1.907 -3.894 -9.928 1.00 0.00 H new ATOM 822 N TYR A 53 -3.690 -2.415 -4.869 1.00 0.00 N ATOM 823 CA TYR A 53 -3.764 -3.822 -4.496 1.00 0.00 C ATOM 824 C TYR A 53 -3.559 -4.720 -5.713 1.00 0.00 C ATOM 825 O TYR A 53 -4.418 -4.801 -6.591 1.00 0.00 O ATOM 826 CB TYR A 53 -5.114 -4.128 -3.845 1.00 0.00 C ATOM 827 CG TYR A 53 -5.340 -3.391 -2.544 1.00 0.00 C ATOM 828 CD1 TYR A 53 -4.373 -3.391 -1.546 1.00 0.00 C ATOM 829 CD2 TYR A 53 -6.520 -2.696 -2.313 1.00 0.00 C ATOM 830 CE1 TYR A 53 -4.575 -2.720 -0.356 1.00 0.00 C ATOM 831 CE2 TYR A 53 -6.730 -2.020 -1.126 1.00 0.00 C ATOM 832 CZ TYR A 53 -5.755 -2.035 -0.151 1.00 0.00 C ATOM 833 OH TYR A 53 -5.961 -1.365 1.033 1.00 0.00 O ATOM 0 H TYR A 53 -4.519 -1.871 -4.629 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.968 -4.024 -3.779 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.911 -3.870 -4.542 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.185 -5.200 -3.663 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.448 -3.925 -1.704 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -7.286 -2.684 -3.074 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.814 -2.731 0.410 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.653 -1.483 -0.963 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.628 -0.447 0.951 1.00 0.00 H new ATOM 843 N SER A 54 -2.414 -5.393 -5.757 1.00 0.00 N ATOM 844 CA SER A 54 -2.092 -6.283 -6.866 1.00 0.00 C ATOM 845 C SER A 54 -3.348 -6.971 -7.393 1.00 0.00 C ATOM 846 O SER A 54 -3.883 -7.879 -6.759 1.00 0.00 O ATOM 847 CB SER A 54 -1.068 -7.331 -6.427 1.00 0.00 C ATOM 848 OG SER A 54 -0.812 -8.260 -7.466 1.00 0.00 O ATOM 0 H SER A 54 -1.693 -5.339 -5.037 1.00 0.00 H new ATOM 0 HA SER A 54 -1.664 -5.682 -7.669 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.140 -6.838 -6.138 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.436 -7.858 -5.547 1.00 0.00 H new ATOM 0 HG SER A 54 -0.153 -8.918 -7.161 1.00 0.00 H new ATOM 971 N GLU A 62 -7.409 2.779 -2.653 1.00 0.00 N ATOM 972 CA GLU A 62 -7.479 3.744 -1.562 1.00 0.00 C ATOM 973 C GLU A 62 -6.116 4.385 -1.315 1.00 0.00 C ATOM 974 O GLU A 62 -5.100 3.932 -1.842 1.00 0.00 O ATOM 975 CB GLU A 62 -7.975 3.067 -0.283 1.00 0.00 C ATOM 976 CG GLU A 62 -7.122 1.886 0.150 1.00 0.00 C ATOM 977 CD GLU A 62 -5.986 2.292 1.069 1.00 0.00 C ATOM 978 OE1 GLU A 62 -6.071 3.385 1.668 1.00 0.00 O ATOM 979 OE2 GLU A 62 -5.013 1.519 1.187 1.00 0.00 O ATOM 0 HA GLU A 62 -8.183 4.525 -1.847 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.998 3.802 0.522 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.000 2.728 -0.435 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.751 1.155 0.658 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.712 1.395 -0.733 1.00 0.00 H new ATOM 986 N TRP A 63 -6.104 5.443 -0.512 1.00 0.00 N ATOM 987 CA TRP A 63 -4.867 6.148 -0.195 1.00 0.00 C ATOM 988 C TRP A 63 -4.382 5.794 1.206 1.00 0.00 C ATOM 989 O TRP A 63 -5.183 5.624 2.126 1.00 0.00 O ATOM 990 CB TRP A 63 -5.073 7.659 -0.312 1.00 0.00 C ATOM 991 CG TRP A 63 -5.094 8.148 -1.728 1.00 0.00 C ATOM 992 CD1 TRP A 63 -6.162 8.145 -2.580 1.00 0.00 C ATOM 993 CD2 TRP A 63 -3.998 8.711 -2.457 1.00 0.00 C ATOM 994 NE1 TRP A 63 -5.795 8.671 -3.795 1.00 0.00 N ATOM 995 CE2 TRP A 63 -4.473 9.027 -3.745 1.00 0.00 C ATOM 996 CE3 TRP A 63 -2.662 8.980 -2.147 1.00 0.00 C ATOM 997 CZ2 TRP A 63 -3.658 9.597 -4.720 1.00 0.00 C ATOM 998 CZ3 TRP A 63 -1.855 9.545 -3.116 1.00 0.00 C ATOM 999 CH2 TRP A 63 -2.354 9.849 -4.389 1.00 0.00 C ATOM 0 H TRP A 63 -6.936 5.831 -0.069 1.00 0.00 H new ATOM 0 HA TRP A 63 -4.106 5.836 -0.911 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -6.012 7.929 0.172 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.277 8.170 0.229 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.149 7.783 -2.335 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -6.408 8.779 -4.603 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.268 8.751 -1.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.041 9.832 -5.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -0.821 9.756 -2.888 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -1.697 10.291 -5.124 1.00 0.00 H new ATOM 1010 N VAL A 64 -3.067 5.685 1.363 1.00 0.00 N ATOM 1011 CA VAL A 64 -2.476 5.354 2.654 1.00 0.00 C ATOM 1012 C VAL A 64 -1.336 6.305 2.998 1.00 0.00 C ATOM 1013 O VAL A 64 -0.656 6.841 2.122 1.00 0.00 O ATOM 1014 CB VAL A 64 -1.946 3.907 2.674 1.00 0.00 C ATOM 1015 CG1 VAL A 64 -2.951 2.962 2.032 1.00 0.00 C ATOM 1016 CG2 VAL A 64 -0.599 3.824 1.973 1.00 0.00 C ATOM 0 H VAL A 64 -2.390 5.821 0.612 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.266 5.455 3.398 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.809 3.602 3.711 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.560 1.945 2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.891 3.002 2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.123 3.261 0.998 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.239 2.795 1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.707 4.147 0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.116 4.470 2.482 1.00 0.00 H new ATOM 1026 N PRO A 65 -1.119 6.523 4.304 1.00 0.00 N ATOM 1027 CA PRO A 65 -0.060 7.410 4.793 1.00 0.00 C ATOM 1028 C PRO A 65 1.333 6.836 4.558 1.00 0.00 C ATOM 1029 O PRO A 65 1.502 5.891 3.788 1.00 0.00 O ATOM 1030 CB PRO A 65 -0.349 7.513 6.293 1.00 0.00 C ATOM 1031 CG PRO A 65 -1.084 6.260 6.624 1.00 0.00 C ATOM 1032 CD PRO A 65 -1.891 5.918 5.402 1.00 0.00 C ATOM 0 HA PRO A 65 -0.062 8.370 4.277 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.573 7.595 6.869 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.947 8.395 6.521 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.392 5.455 6.872 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.730 6.404 7.490 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.992 4.840 5.276 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.899 6.328 5.458 1.00 0.00 H new ATOM 1040 N GLU A 66 2.327 7.413 5.226 1.00 0.00 N ATOM 1041 CA GLU A 66 3.705 6.957 5.088 1.00 0.00 C ATOM 1042 C GLU A 66 4.027 5.879 6.118 1.00 0.00 C ATOM 1043 O GLU A 66 5.086 5.252 6.066 1.00 0.00 O ATOM 1044 CB GLU A 66 4.672 8.133 5.244 1.00 0.00 C ATOM 1045 CG GLU A 66 6.125 7.762 4.998 1.00 0.00 C ATOM 1046 CD GLU A 66 7.058 8.952 5.113 1.00 0.00 C ATOM 1047 OE1 GLU A 66 6.796 9.976 4.448 1.00 0.00 O ATOM 1048 OE2 GLU A 66 8.049 8.859 5.866 1.00 0.00 O ATOM 0 H GLU A 66 2.204 8.196 5.868 1.00 0.00 H new ATOM 0 HA GLU A 66 3.822 6.529 4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.385 8.923 4.550 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.575 8.541 6.250 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.427 6.998 5.714 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.221 7.324 4.004 1.00 0.00 H new ATOM 1055 N SER A 67 3.107 5.668 7.054 1.00 0.00 N ATOM 1056 CA SER A 67 3.294 4.669 8.099 1.00 0.00 C ATOM 1057 C SER A 67 2.663 3.339 7.699 1.00 0.00 C ATOM 1058 O SER A 67 3.068 2.279 8.176 1.00 0.00 O ATOM 1059 CB SER A 67 2.688 5.158 9.416 1.00 0.00 C ATOM 1060 OG SER A 67 3.531 6.108 10.044 1.00 0.00 O ATOM 0 H SER A 67 2.224 6.176 7.110 1.00 0.00 H new ATOM 0 HA SER A 67 4.365 4.517 8.234 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.711 5.603 9.227 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.529 4.311 10.083 1.00 0.00 H new ATOM 0 HG SER A 67 3.120 6.406 10.882 1.00 0.00 H new ATOM 1066 N ARG A 68 1.669 3.404 6.819 1.00 0.00 N ATOM 1067 CA ARG A 68 0.981 2.206 6.354 1.00 0.00 C ATOM 1068 C ARG A 68 1.682 1.614 5.134 1.00 0.00 C ATOM 1069 O ARG A 68 1.099 0.822 4.394 1.00 0.00 O ATOM 1070 CB ARG A 68 -0.475 2.528 6.013 1.00 0.00 C ATOM 1071 CG ARG A 68 -1.386 2.592 7.228 1.00 0.00 C ATOM 1072 CD ARG A 68 -2.847 2.436 6.837 1.00 0.00 C ATOM 1073 NE ARG A 68 -3.746 2.987 7.848 1.00 0.00 N ATOM 1074 CZ ARG A 68 -3.930 2.438 9.044 1.00 0.00 C ATOM 1075 NH1 ARG A 68 -3.281 1.331 9.376 1.00 0.00 N ATOM 1076 NH2 ARG A 68 -4.764 2.998 9.911 1.00 0.00 N ATOM 0 H ARG A 68 1.322 4.274 6.414 1.00 0.00 H new ATOM 0 HA ARG A 68 1.005 1.470 7.157 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.514 3.483 5.490 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.854 1.772 5.325 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.111 1.807 7.932 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.245 3.544 7.740 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.023 2.936 5.884 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.072 1.380 6.689 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.260 3.839 7.624 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.638 0.898 8.713 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.424 0.912 10.295 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.264 3.851 9.660 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.905 2.576 10.829 1.00 0.00 H new ATOM 1090 N VAL A 69 2.936 2.005 4.932 1.00 0.00 N ATOM 1091 CA VAL A 69 3.717 1.514 3.802 1.00 0.00 C ATOM 1092 C VAL A 69 5.093 1.036 4.252 1.00 0.00 C ATOM 1093 O VAL A 69 5.762 1.695 5.049 1.00 0.00 O ATOM 1094 CB VAL A 69 3.891 2.601 2.725 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.485 2.006 1.458 1.00 0.00 C ATOM 1096 CG2 VAL A 69 2.560 3.279 2.433 1.00 0.00 C ATOM 0 H VAL A 69 3.433 2.660 5.536 1.00 0.00 H new ATOM 0 HA VAL A 69 3.165 0.676 3.376 1.00 0.00 H new ATOM 0 HB VAL A 69 4.582 3.355 3.102 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.601 2.789 0.708 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.459 1.571 1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.821 1.231 1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.701 4.044 1.670 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.845 2.538 2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.179 3.741 3.344 1.00 0.00 H new ATOM 1106 N LEU A 70 5.510 -0.115 3.737 1.00 0.00 N ATOM 1107 CA LEU A 70 6.808 -0.683 4.085 1.00 0.00 C ATOM 1108 C LEU A 70 7.759 -0.639 2.893 1.00 0.00 C ATOM 1109 O LEU A 70 7.327 -0.556 1.743 1.00 0.00 O ATOM 1110 CB LEU A 70 6.643 -2.125 4.567 1.00 0.00 C ATOM 1111 CG LEU A 70 5.526 -2.370 5.583 1.00 0.00 C ATOM 1112 CD1 LEU A 70 5.396 -3.854 5.886 1.00 0.00 C ATOM 1113 CD2 LEU A 70 5.786 -1.583 6.860 1.00 0.00 C ATOM 0 H LEU A 70 4.969 -0.673 3.077 1.00 0.00 H new ATOM 0 HA LEU A 70 7.235 -0.084 4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.462 -2.759 3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.585 -2.450 5.008 1.00 0.00 H new ATOM 0 HG LEU A 70 4.586 -2.025 5.152 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.597 -4.009 6.611 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.163 -4.394 4.968 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.335 -4.225 6.297 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.982 -1.769 7.572 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.735 -1.897 7.294 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.828 -0.519 6.629 1.00 0.00 H new ATOM 1125 N LYS A 71 9.056 -0.697 3.175 1.00 0.00 N ATOM 1126 CA LYS A 71 10.070 -0.668 2.127 1.00 0.00 C ATOM 1127 C LYS A 71 10.100 -1.987 1.363 1.00 0.00 C ATOM 1128 O LYS A 71 10.832 -2.132 0.383 1.00 0.00 O ATOM 1129 CB LYS A 71 11.447 -0.383 2.730 1.00 0.00 C ATOM 1130 CG LYS A 71 11.690 1.086 3.026 1.00 0.00 C ATOM 1131 CD LYS A 71 10.838 1.568 4.189 1.00 0.00 C ATOM 1132 CE LYS A 71 11.195 2.991 4.589 1.00 0.00 C ATOM 1133 NZ LYS A 71 10.947 3.957 3.484 1.00 0.00 N ATOM 0 H LYS A 71 9.430 -0.764 4.121 1.00 0.00 H new ATOM 0 HA LYS A 71 9.814 0.129 1.429 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.555 -0.953 3.653 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.215 -0.738 2.043 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.744 1.242 3.256 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.466 1.679 2.139 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.784 1.520 3.914 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.976 0.904 5.042 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.610 3.280 5.462 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.245 3.034 4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.039 4.928 3.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.641 3.802 2.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.987 3.817 3.109 1.00 0.00 H new ATOM 1147 N TYR A 72 9.300 -2.947 1.815 1.00 0.00 N ATOM 1148 CA TYR A 72 9.237 -4.255 1.174 1.00 0.00 C ATOM 1149 C TYR A 72 10.625 -4.879 1.072 1.00 0.00 C ATOM 1150 O TYR A 72 11.072 -5.253 -0.013 1.00 0.00 O ATOM 1151 CB TYR A 72 8.616 -4.133 -0.219 1.00 0.00 C ATOM 1152 CG TYR A 72 7.828 -5.353 -0.639 1.00 0.00 C ATOM 1153 CD1 TYR A 72 8.461 -6.571 -0.859 1.00 0.00 C ATOM 1154 CD2 TYR A 72 6.452 -5.289 -0.818 1.00 0.00 C ATOM 1155 CE1 TYR A 72 7.745 -7.689 -1.243 1.00 0.00 C ATOM 1156 CE2 TYR A 72 5.728 -6.401 -1.201 1.00 0.00 C ATOM 1157 CZ TYR A 72 6.379 -7.599 -1.413 1.00 0.00 C ATOM 1158 OH TYR A 72 5.662 -8.709 -1.796 1.00 0.00 O ATOM 0 H TYR A 72 8.686 -2.844 2.623 1.00 0.00 H new ATOM 0 HA TYR A 72 8.612 -4.903 1.788 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.961 -3.262 -0.241 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.408 -3.954 -0.946 1.00 0.00 H new ATOM 0 HD1 TYR A 72 9.530 -6.645 -0.728 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.939 -4.353 -0.655 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.252 -8.628 -1.409 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.658 -6.333 -1.334 1.00 0.00 H new ATOM 0 HH TYR A 72 4.707 -8.551 -1.641 1.00 0.00 H new ATOM 1168 N VAL A 73 11.302 -4.991 2.211 1.00 0.00 N ATOM 1169 CA VAL A 73 12.638 -5.572 2.252 1.00 0.00 C ATOM 1170 C VAL A 73 12.637 -6.899 3.001 1.00 0.00 C ATOM 1171 O VAL A 73 11.720 -7.190 3.770 1.00 0.00 O ATOM 1172 CB VAL A 73 13.645 -4.617 2.922 1.00 0.00 C ATOM 1173 CG1 VAL A 73 14.024 -3.490 1.973 1.00 0.00 C ATOM 1174 CG2 VAL A 73 13.072 -4.065 4.218 1.00 0.00 C ATOM 0 H VAL A 73 10.947 -4.687 3.117 1.00 0.00 H new ATOM 0 HA VAL A 73 12.942 -5.742 1.219 1.00 0.00 H new ATOM 0 HB VAL A 73 14.549 -5.177 3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 73 14.736 -2.826 2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 73 14.477 -3.908 1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 73 13.131 -2.928 1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 73 13.796 -3.392 4.678 1.00 0.00 H new ATOM 0 HG22 VAL A 73 12.153 -3.519 4.006 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.856 -4.888 4.900 1.00 0.00 H new ATOM 1184 N ASP A 74 13.671 -7.702 2.773 1.00 0.00 N ATOM 1185 CA ASP A 74 13.791 -8.999 3.428 1.00 0.00 C ATOM 1186 C ASP A 74 13.197 -8.956 4.832 1.00 0.00 C ATOM 1187 O ASP A 74 12.445 -9.848 5.228 1.00 0.00 O ATOM 1188 CB ASP A 74 15.258 -9.427 3.494 1.00 0.00 C ATOM 1189 CG ASP A 74 15.972 -9.255 2.167 1.00 0.00 C ATOM 1190 OD1 ASP A 74 16.119 -8.099 1.718 1.00 0.00 O ATOM 1191 OD2 ASP A 74 16.384 -10.276 1.579 1.00 0.00 O ATOM 0 H ASP A 74 14.438 -7.477 2.139 1.00 0.00 H new ATOM 0 HA ASP A 74 13.234 -9.728 2.840 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.770 -8.841 4.257 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.315 -10.471 3.801 1.00 0.00 H new ATOM 1196 N THR A 75 13.540 -7.914 5.583 1.00 0.00 N ATOM 1197 CA THR A 75 13.043 -7.756 6.944 1.00 0.00 C ATOM 1198 C THR A 75 11.521 -7.681 6.968 1.00 0.00 C ATOM 1199 O THR A 75 10.859 -8.519 7.578 1.00 0.00 O ATOM 1200 CB THR A 75 13.619 -6.491 7.608 1.00 0.00 C ATOM 1201 OG1 THR A 75 15.011 -6.365 7.298 1.00 0.00 O ATOM 1202 CG2 THR A 75 13.432 -6.540 9.117 1.00 0.00 C ATOM 0 H THR A 75 14.160 -7.167 5.271 1.00 0.00 H new ATOM 0 HA THR A 75 13.369 -8.632 7.504 1.00 0.00 H new ATOM 0 HB THR A 75 13.082 -5.626 7.219 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.369 -5.557 7.722 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.846 -5.637 9.564 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.369 -6.606 9.350 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.946 -7.413 9.519 1.00 0.00 H new ATOM 1210 N ASN A 76 10.972 -6.672 6.299 1.00 0.00 N ATOM 1211 CA ASN A 76 9.526 -6.488 6.244 1.00 0.00 C ATOM 1212 C ASN A 76 8.835 -7.755 5.749 1.00 0.00 C ATOM 1213 O ASN A 76 7.807 -8.166 6.288 1.00 0.00 O ATOM 1214 CB ASN A 76 9.175 -5.312 5.331 1.00 0.00 C ATOM 1215 CG ASN A 76 9.617 -3.980 5.907 1.00 0.00 C ATOM 1216 OD1 ASN A 76 9.636 -3.794 7.124 1.00 0.00 O ATOM 1217 ND2 ASN A 76 9.975 -3.047 5.033 1.00 0.00 N ATOM 0 H ASN A 76 11.506 -5.970 5.788 1.00 0.00 H new ATOM 0 HA ASN A 76 9.173 -6.274 7.253 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.645 -5.458 4.358 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.098 -5.293 5.165 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.282 -2.131 5.361 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.943 -3.246 4.033 1.00 0.00 H new ATOM 1224 N LEU A 77 9.407 -8.370 4.720 1.00 0.00 N ATOM 1225 CA LEU A 77 8.847 -9.591 4.151 1.00 0.00 C ATOM 1226 C LEU A 77 8.535 -10.608 5.245 1.00 0.00 C ATOM 1227 O LEU A 77 7.470 -11.224 5.246 1.00 0.00 O ATOM 1228 CB LEU A 77 9.820 -10.198 3.138 1.00 0.00 C ATOM 1229 CG LEU A 77 9.910 -9.489 1.786 1.00 0.00 C ATOM 1230 CD1 LEU A 77 10.964 -10.145 0.909 1.00 0.00 C ATOM 1231 CD2 LEU A 77 8.556 -9.494 1.091 1.00 0.00 C ATOM 0 H LEU A 77 10.258 -8.043 4.263 1.00 0.00 H new ATOM 0 HA LEU A 77 7.917 -9.333 3.644 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.814 -10.214 3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.532 -11.235 2.964 1.00 0.00 H new ATOM 0 HG LEU A 77 10.204 -8.454 1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.014 -9.627 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.934 -10.089 1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.701 -11.190 0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.638 -8.985 0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.233 -10.523 0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.826 -8.977 1.714 1.00 0.00 H new ATOM 1243 N GLN A 78 9.470 -10.775 6.175 1.00 0.00 N ATOM 1244 CA GLN A 78 9.293 -11.716 7.275 1.00 0.00 C ATOM 1245 C GLN A 78 7.971 -11.468 7.995 1.00 0.00 C ATOM 1246 O GLN A 78 7.383 -12.385 8.569 1.00 0.00 O ATOM 1247 CB GLN A 78 10.455 -11.602 8.263 1.00 0.00 C ATOM 1248 CG GLN A 78 10.244 -10.541 9.331 1.00 0.00 C ATOM 1249 CD GLN A 78 9.573 -11.091 10.575 1.00 0.00 C ATOM 1250 OE1 GLN A 78 8.753 -12.007 10.498 1.00 0.00 O ATOM 1251 NE2 GLN A 78 9.918 -10.534 11.730 1.00 0.00 N ATOM 0 H GLN A 78 10.357 -10.271 6.189 1.00 0.00 H new ATOM 0 HA GLN A 78 9.276 -12.724 6.860 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.606 -12.567 8.746 1.00 0.00 H new ATOM 0 HB3 GLN A 78 11.368 -11.375 7.713 1.00 0.00 H new ATOM 0 HG2 GLN A 78 11.207 -10.108 9.603 1.00 0.00 H new ATOM 0 HG3 GLN A 78 9.636 -9.734 8.921 1.00 0.00 H new ATOM 0 HE21 GLN A 78 10.602 -9.777 11.747 1.00 0.00 H new ATOM 0 HE22 GLN A 78 9.499 -10.863 12.600 1.00 0.00 H new ATOM 1260 N LYS A 79 7.509 -10.223 7.962 1.00 0.00 N ATOM 1261 CA LYS A 79 6.257 -9.854 8.611 1.00 0.00 C ATOM 1262 C LYS A 79 5.065 -10.169 7.712 1.00 0.00 C ATOM 1263 O LYS A 79 4.131 -10.856 8.124 1.00 0.00 O ATOM 1264 CB LYS A 79 6.262 -8.365 8.965 1.00 0.00 C ATOM 1265 CG LYS A 79 4.892 -7.824 9.338 1.00 0.00 C ATOM 1266 CD LYS A 79 5.001 -6.557 10.171 1.00 0.00 C ATOM 1267 CE LYS A 79 3.834 -5.618 9.911 1.00 0.00 C ATOM 1268 NZ LYS A 79 3.926 -4.977 8.569 1.00 0.00 N ATOM 0 H LYS A 79 7.983 -9.452 7.492 1.00 0.00 H new ATOM 0 HA LYS A 79 6.165 -10.439 9.526 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.947 -8.200 9.796 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.648 -7.800 8.117 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.322 -7.617 8.432 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.340 -8.581 9.896 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.031 -6.817 11.229 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.937 -6.048 9.941 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.898 -6.172 9.985 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.810 -4.847 10.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.971 -4.749 8.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.486 -4.104 8.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.385 -5.630 7.903 1.00 0.00 H new ATOM 1282 N GLN A 80 5.106 -9.663 6.483 1.00 0.00 N ATOM 1283 CA GLN A 80 4.029 -9.892 5.527 1.00 0.00 C ATOM 1284 C GLN A 80 3.538 -11.334 5.596 1.00 0.00 C ATOM 1285 O GLN A 80 2.347 -11.603 5.434 1.00 0.00 O ATOM 1286 CB GLN A 80 4.502 -9.569 4.108 1.00 0.00 C ATOM 1287 CG GLN A 80 3.844 -10.425 3.039 1.00 0.00 C ATOM 1288 CD GLN A 80 4.635 -11.680 2.728 1.00 0.00 C ATOM 1289 OE1 GLN A 80 5.838 -11.748 2.978 1.00 0.00 O ATOM 1290 NE2 GLN A 80 3.961 -12.684 2.179 1.00 0.00 N ATOM 0 H GLN A 80 5.873 -9.092 6.127 1.00 0.00 H new ATOM 0 HA GLN A 80 3.200 -9.233 5.786 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.300 -8.519 3.897 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.582 -9.703 4.055 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.843 -10.703 3.367 1.00 0.00 H new ATOM 0 HG3 GLN A 80 3.729 -9.837 2.128 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.964 -12.585 1.989 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.440 -13.554 1.948 1.00 0.00 H new ATOM 1299 N ARG A 81 4.462 -12.258 5.837 1.00 0.00 N ATOM 1300 CA ARG A 81 4.123 -13.673 5.925 1.00 0.00 C ATOM 1301 C ARG A 81 3.582 -14.017 7.310 1.00 0.00 C ATOM 1302 O ARG A 81 2.523 -14.630 7.438 1.00 0.00 O ATOM 1303 CB ARG A 81 5.349 -14.534 5.617 1.00 0.00 C ATOM 1304 CG ARG A 81 6.474 -14.376 6.627 1.00 0.00 C ATOM 1305 CD ARG A 81 7.700 -15.182 6.227 1.00 0.00 C ATOM 1306 NE ARG A 81 7.659 -16.541 6.760 1.00 0.00 N ATOM 1307 CZ ARG A 81 8.679 -17.389 6.689 1.00 0.00 C ATOM 1308 NH1 ARG A 81 9.814 -17.020 6.110 1.00 0.00 N ATOM 1309 NH2 ARG A 81 8.566 -18.609 7.197 1.00 0.00 N ATOM 0 H ARG A 81 5.451 -12.052 5.975 1.00 0.00 H new ATOM 0 HA ARG A 81 3.347 -13.881 5.188 1.00 0.00 H new ATOM 0 HB2 ARG A 81 5.048 -15.581 5.582 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.723 -14.277 4.626 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.742 -13.323 6.713 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.130 -14.699 7.610 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.769 -15.221 5.140 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.598 -14.679 6.586 1.00 0.00 H new ATOM 0 HE ARG A 81 6.800 -16.856 7.211 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.905 -16.083 5.718 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.595 -17.673 6.057 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.695 -18.897 7.643 1.00 0.00 H new ATOM 0 HH22 ARG A 81 9.350 -19.259 7.142 1.00 0.00 H new ATOM 1323 N GLU A 82 4.318 -13.618 8.343 1.00 0.00 N ATOM 1324 CA GLU A 82 3.912 -13.885 9.718 1.00 0.00 C ATOM 1325 C GLU A 82 2.439 -13.543 9.927 1.00 0.00 C ATOM 1326 O GLU A 82 1.747 -14.185 10.719 1.00 0.00 O ATOM 1327 CB GLU A 82 4.776 -13.084 10.693 1.00 0.00 C ATOM 1328 CG GLU A 82 4.146 -11.772 11.129 1.00 0.00 C ATOM 1329 CD GLU A 82 5.078 -10.931 11.980 1.00 0.00 C ATOM 1330 OE1 GLU A 82 5.882 -11.516 12.735 1.00 0.00 O ATOM 1331 OE2 GLU A 82 5.002 -9.688 11.891 1.00 0.00 O ATOM 0 H GLU A 82 5.198 -13.109 8.254 1.00 0.00 H new ATOM 0 HA GLU A 82 4.051 -14.949 9.910 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.973 -13.693 11.575 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.739 -12.877 10.226 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.853 -11.203 10.247 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.235 -11.980 11.691 1.00 0.00 H new ATOM 1338 N LEU A 83 1.967 -12.528 9.212 1.00 0.00 N ATOM 1339 CA LEU A 83 0.577 -12.099 9.319 1.00 0.00 C ATOM 1340 C LEU A 83 -0.330 -12.973 8.458 1.00 0.00 C ATOM 1341 O LEU A 83 -1.363 -13.457 8.922 1.00 0.00 O ATOM 1342 CB LEU A 83 0.441 -10.634 8.898 1.00 0.00 C ATOM 1343 CG LEU A 83 1.397 -9.651 9.574 1.00 0.00 C ATOM 1344 CD1 LEU A 83 1.366 -8.305 8.866 1.00 0.00 C ATOM 1345 CD2 LEU A 83 1.046 -9.490 11.045 1.00 0.00 C ATOM 0 H LEU A 83 2.526 -11.987 8.552 1.00 0.00 H new ATOM 0 HA LEU A 83 0.270 -12.202 10.360 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.589 -10.571 7.820 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.581 -10.312 9.099 1.00 0.00 H new ATOM 0 HG LEU A 83 2.408 -10.052 9.505 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.052 -7.618 9.361 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.668 -8.434 7.827 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.356 -7.898 8.903 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.737 -8.787 11.509 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.028 -9.112 11.137 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.121 -10.456 11.545 1.00 0.00 H new ATOM 1357 N GLN A 84 0.064 -13.172 7.204 1.00 0.00 N ATOM 1358 CA GLN A 84 -0.713 -13.989 6.280 1.00 0.00 C ATOM 1359 C GLN A 84 -0.778 -15.436 6.756 1.00 0.00 C ATOM 1360 O GLN A 84 -1.673 -16.189 6.369 1.00 0.00 O ATOM 1361 CB GLN A 84 -0.106 -13.927 4.878 1.00 0.00 C ATOM 1362 CG GLN A 84 -0.176 -12.547 4.245 1.00 0.00 C ATOM 1363 CD GLN A 84 0.707 -12.421 3.019 1.00 0.00 C ATOM 1364 OE1 GLN A 84 1.303 -13.399 2.566 1.00 0.00 O ATOM 1365 NE2 GLN A 84 0.796 -11.214 2.474 1.00 0.00 N ATOM 0 H GLN A 84 0.916 -12.779 6.805 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.727 -13.591 6.247 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.936 -14.242 4.928 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.624 -14.639 4.235 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.208 -12.330 3.969 1.00 0.00 H new ATOM 0 HG3 GLN A 84 0.121 -11.799 4.980 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.285 -10.431 2.882 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.375 -11.069 1.647 1.00 0.00 H new ATOM 1374 N LYS A 85 0.176 -15.821 7.597 1.00 0.00 N ATOM 1375 CA LYS A 85 0.228 -17.178 8.127 1.00 0.00 C ATOM 1376 C LYS A 85 -0.447 -17.255 9.492 1.00 0.00 C ATOM 1377 O LYS A 85 -0.977 -18.298 9.875 1.00 0.00 O ATOM 1378 CB LYS A 85 1.680 -17.649 8.237 1.00 0.00 C ATOM 1379 CG LYS A 85 2.490 -16.887 9.271 1.00 0.00 C ATOM 1380 CD LYS A 85 2.420 -17.552 10.636 1.00 0.00 C ATOM 1381 CE LYS A 85 3.386 -18.722 10.736 1.00 0.00 C ATOM 1382 NZ LYS A 85 3.646 -19.108 12.151 1.00 0.00 N ATOM 0 H LYS A 85 0.924 -15.211 7.926 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.308 -17.831 7.439 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.691 -18.709 8.489 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.161 -17.547 7.264 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.529 -16.826 8.948 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.119 -15.865 9.344 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.651 -16.821 11.410 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.404 -17.901 10.820 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.979 -19.576 10.196 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.327 -18.458 10.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.309 -19.909 12.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.058 -18.301 12.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.752 -19.384 12.605 1.00 0.00 H new