USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 555 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 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -4.67! C(o=-4.7!,f=-4.7!) USER MOD Single : A 29 ASN : amide:sc= 0.103 K(o=0.1,f=-1.1) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.802 USER MOD Single : A 35 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0573) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 179:sc= -0.0551 (180deg=-0.0563) USER MOD Single : A 46 CYS SG : rot 99:sc= -9.76! USER MOD Single : A 50 HIS : no HD1:sc= -1.85 K(o=-1.8,f=-0.45) USER MOD Single : A 52 HIS : no HE2:sc= -1.91 X(o=-1.9,f=-1.5) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0771 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0.0745 X(o=0.074,f=0) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N ILE A 16 5.676 13.207 4.685 1.00 0.00 N ATOM 191 CA ILE A 16 5.186 11.841 4.544 1.00 0.00 C ATOM 192 C ILE A 16 3.695 11.823 4.225 1.00 0.00 C ATOM 193 O ILE A 16 2.936 12.667 4.704 1.00 0.00 O ATOM 194 CB ILE A 16 5.435 11.020 5.823 1.00 0.00 C ATOM 195 CG1 ILE A 16 6.929 10.987 6.151 1.00 0.00 C ATOM 196 CG2 ILE A 16 4.892 9.608 5.660 1.00 0.00 C ATOM 197 CD1 ILE A 16 7.780 10.419 5.036 1.00 0.00 C ATOM 0 HA ILE A 16 5.738 11.391 3.719 1.00 0.00 H new ATOM 0 HB ILE A 16 4.911 11.497 6.651 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.266 11.999 6.375 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.082 10.393 7.052 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.076 9.040 6.572 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.820 9.650 5.468 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.391 9.121 4.823 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.827 10.426 5.338 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.470 9.395 4.827 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.657 11.026 4.139 1.00 0.00 H new ATOM 209 N ALA A 17 3.280 10.856 3.415 1.00 0.00 N ATOM 210 CA ALA A 17 1.879 10.725 3.034 1.00 0.00 C ATOM 211 C ALA A 17 1.333 9.353 3.414 1.00 0.00 C ATOM 212 O ALA A 17 1.726 8.338 2.839 1.00 0.00 O ATOM 213 CB ALA A 17 1.713 10.967 1.542 1.00 0.00 C ATOM 0 H ALA A 17 3.895 10.150 3.009 1.00 0.00 H new ATOM 0 HA ALA A 17 1.308 11.477 3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.662 10.866 1.272 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.056 11.972 1.296 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.302 10.237 0.987 1.00 0.00 H new ATOM 219 N GLU A 18 0.426 9.329 4.385 1.00 0.00 N ATOM 220 CA GLU A 18 -0.172 8.080 4.840 1.00 0.00 C ATOM 221 C GLU A 18 -1.402 7.729 4.007 1.00 0.00 C ATOM 222 O GLU A 18 -2.421 8.417 4.064 1.00 0.00 O ATOM 223 CB GLU A 18 -0.557 8.182 6.318 1.00 0.00 C ATOM 224 CG GLU A 18 -0.706 6.835 7.003 1.00 0.00 C ATOM 225 CD GLU A 18 -1.620 6.891 8.211 1.00 0.00 C ATOM 226 OE1 GLU A 18 -2.722 7.465 8.096 1.00 0.00 O ATOM 227 OE2 GLU A 18 -1.232 6.361 9.273 1.00 0.00 O ATOM 0 H GLU A 18 0.089 10.160 4.871 1.00 0.00 H new ATOM 0 HA GLU A 18 0.567 7.288 4.717 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.200 8.765 6.842 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.496 8.729 6.403 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.098 6.110 6.289 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.277 6.479 7.312 1.00 0.00 H new ATOM 234 N VAL A 19 -1.298 6.653 3.232 1.00 0.00 N ATOM 235 CA VAL A 19 -2.400 6.211 2.388 1.00 0.00 C ATOM 236 C VAL A 19 -2.775 4.764 2.688 1.00 0.00 C ATOM 237 O VAL A 19 -1.912 3.888 2.746 1.00 0.00 O ATOM 238 CB VAL A 19 -2.048 6.338 0.893 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.164 5.767 0.031 1.00 0.00 C ATOM 240 CG2 VAL A 19 -1.776 7.791 0.533 1.00 0.00 C ATOM 0 H VAL A 19 -0.462 6.072 3.172 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.249 6.858 2.611 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.142 5.763 0.700 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.898 5.866 -1.021 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.307 4.714 0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.088 6.312 0.224 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.529 7.863 -0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.663 8.389 0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.941 8.163 1.127 1.00 0.00 H new ATOM 250 N GLU A 20 -4.068 4.520 2.877 1.00 0.00 N ATOM 251 CA GLU A 20 -4.557 3.178 3.172 1.00 0.00 C ATOM 252 C GLU A 20 -5.265 2.579 1.961 1.00 0.00 C ATOM 253 O GLU A 20 -5.600 3.286 1.010 1.00 0.00 O ATOM 254 CB GLU A 20 -5.509 3.211 4.369 1.00 0.00 C ATOM 255 CG GLU A 20 -4.840 3.621 5.670 1.00 0.00 C ATOM 256 CD GLU A 20 -5.795 4.306 6.627 1.00 0.00 C ATOM 257 OE1 GLU A 20 -6.842 3.708 6.950 1.00 0.00 O ATOM 258 OE2 GLU A 20 -5.494 5.441 7.053 1.00 0.00 O ATOM 0 H GLU A 20 -4.795 5.234 2.831 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.699 2.551 3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.323 3.903 4.155 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.955 2.224 4.495 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.420 2.738 6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.008 4.291 5.451 1.00 0.00 H new ATOM 265 N VAL A 21 -5.490 1.269 2.001 1.00 0.00 N ATOM 266 CA VAL A 21 -6.157 0.574 0.908 1.00 0.00 C ATOM 267 C VAL A 21 -7.073 -0.526 1.435 1.00 0.00 C ATOM 268 O VAL A 21 -6.887 -1.024 2.544 1.00 0.00 O ATOM 269 CB VAL A 21 -5.140 -0.045 -0.068 1.00 0.00 C ATOM 270 CG1 VAL A 21 -4.200 -0.989 0.666 1.00 0.00 C ATOM 271 CG2 VAL A 21 -5.858 -0.767 -1.200 1.00 0.00 C ATOM 0 H VAL A 21 -5.220 0.668 2.780 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.752 1.317 0.377 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.544 0.758 -0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.489 -1.416 -0.041 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.660 -0.439 1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.777 -1.790 1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.124 -1.198 -1.880 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.481 -1.561 -0.788 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.484 -0.059 -1.743 1.00 0.00 H new ATOM 281 N SER A 22 -8.062 -0.900 0.630 1.00 0.00 N ATOM 282 CA SER A 22 -9.011 -1.939 1.016 1.00 0.00 C ATOM 283 C SER A 22 -8.594 -3.292 0.448 1.00 0.00 C ATOM 284 O SER A 22 -8.728 -3.542 -0.751 1.00 0.00 O ATOM 285 CB SER A 22 -10.417 -1.581 0.532 1.00 0.00 C ATOM 286 OG SER A 22 -11.283 -2.700 0.609 1.00 0.00 O ATOM 0 H SER A 22 -8.228 -0.500 -0.293 1.00 0.00 H new ATOM 0 HA SER A 22 -9.016 -2.007 2.104 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.816 -0.766 1.136 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.371 -1.223 -0.496 1.00 0.00 H new ATOM 0 HG SER A 22 -12.176 -2.445 0.296 1.00 0.00 H new ATOM 292 N ILE A 23 -8.089 -4.161 1.317 1.00 0.00 N ATOM 293 CA ILE A 23 -7.654 -5.490 0.902 1.00 0.00 C ATOM 294 C ILE A 23 -7.908 -6.518 1.999 1.00 0.00 C ATOM 295 O ILE A 23 -7.682 -6.269 3.183 1.00 0.00 O ATOM 296 CB ILE A 23 -6.158 -5.504 0.537 1.00 0.00 C ATOM 297 CG1 ILE A 23 -5.880 -4.523 -0.603 1.00 0.00 C ATOM 298 CG2 ILE A 23 -5.720 -6.909 0.153 1.00 0.00 C ATOM 299 CD1 ILE A 23 -4.422 -4.455 -1.000 1.00 0.00 C ATOM 0 H ILE A 23 -7.971 -3.970 2.312 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.237 -5.752 0.019 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.583 -5.191 1.409 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.472 -4.811 -1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.214 -3.529 -0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.660 -6.903 -0.102 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.887 -7.584 0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.298 -7.248 -0.706 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.299 -3.740 -1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.826 -4.137 -0.144 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.088 -5.439 -1.329 1.00 0.00 H new ATOM 311 N PRO A 24 -8.388 -7.704 1.597 1.00 0.00 N ATOM 312 CA PRO A 24 -8.681 -8.797 2.531 1.00 0.00 C ATOM 313 C PRO A 24 -7.416 -9.401 3.131 1.00 0.00 C ATOM 314 O PRO A 24 -6.346 -9.355 2.525 1.00 0.00 O ATOM 315 CB PRO A 24 -9.402 -9.826 1.658 1.00 0.00 C ATOM 316 CG PRO A 24 -8.919 -9.555 0.275 1.00 0.00 C ATOM 317 CD PRO A 24 -8.682 -8.072 0.202 1.00 0.00 C ATOM 0 HA PRO A 24 -9.267 -8.457 3.385 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.165 -10.844 1.968 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.484 -9.716 1.728 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.003 -10.107 0.066 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.656 -9.869 -0.464 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.851 -7.830 -0.461 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.557 -7.544 -0.177 1.00 0.00 H new ATOM 325 N ALA A 25 -7.547 -9.969 4.326 1.00 0.00 N ATOM 326 CA ALA A 25 -6.414 -10.584 5.006 1.00 0.00 C ATOM 327 C ALA A 25 -5.998 -11.879 4.318 1.00 0.00 C ATOM 328 O ALA A 25 -4.852 -12.314 4.431 1.00 0.00 O ATOM 329 CB ALA A 25 -6.756 -10.848 6.466 1.00 0.00 C ATOM 0 H ALA A 25 -8.426 -10.016 4.842 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.574 -9.891 4.959 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.901 -11.308 6.963 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.999 -9.907 6.959 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.613 -11.519 6.523 1.00 0.00 H new ATOM 335 N LYS A 26 -6.935 -12.492 3.603 1.00 0.00 N ATOM 336 CA LYS A 26 -6.666 -13.738 2.894 1.00 0.00 C ATOM 337 C LYS A 26 -5.519 -13.563 1.904 1.00 0.00 C ATOM 338 O LYS A 26 -4.740 -14.488 1.671 1.00 0.00 O ATOM 339 CB LYS A 26 -7.921 -14.212 2.159 1.00 0.00 C ATOM 340 CG LYS A 26 -8.077 -13.611 0.771 1.00 0.00 C ATOM 341 CD LYS A 26 -9.506 -13.732 0.269 1.00 0.00 C ATOM 342 CE LYS A 26 -9.829 -12.654 -0.755 1.00 0.00 C ATOM 343 NZ LYS A 26 -10.842 -13.115 -1.744 1.00 0.00 N ATOM 0 H LYS A 26 -7.889 -12.146 3.499 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.377 -14.490 3.628 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.894 -15.298 2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.798 -13.960 2.755 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.786 -12.561 0.793 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.403 -14.114 0.078 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.654 -14.715 -0.177 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.196 -13.656 1.109 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.199 -11.766 -0.243 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.917 -12.364 -1.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.035 -12.352 -2.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.479 -13.947 -2.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.721 -13.368 -1.249 1.00 0.00 H new ATOM 357 N LEU A 27 -5.420 -12.372 1.324 1.00 0.00 N ATOM 358 CA LEU A 27 -4.367 -12.075 0.360 1.00 0.00 C ATOM 359 C LEU A 27 -3.108 -11.579 1.063 1.00 0.00 C ATOM 360 O LEU A 27 -1.990 -11.865 0.634 1.00 0.00 O ATOM 361 CB LEU A 27 -4.848 -11.028 -0.645 1.00 0.00 C ATOM 362 CG LEU A 27 -6.009 -11.449 -1.549 1.00 0.00 C ATOM 363 CD1 LEU A 27 -6.481 -10.274 -2.392 1.00 0.00 C ATOM 364 CD2 LEU A 27 -5.599 -12.614 -2.436 1.00 0.00 C ATOM 0 H LEU A 27 -6.057 -11.596 1.505 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.126 -12.996 -0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.147 -10.136 -0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.006 -10.746 -1.277 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.837 -11.773 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.307 -10.591 -3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.816 -9.468 -1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.659 -9.919 -3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.437 -12.900 -3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.755 -12.317 -3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.310 -13.461 -1.814 1.00 0.00 H new ATOM 376 N HIS A 28 -3.296 -10.836 2.150 1.00 0.00 N ATOM 377 CA HIS A 28 -2.176 -10.303 2.916 1.00 0.00 C ATOM 378 C HIS A 28 -1.056 -11.333 3.029 1.00 0.00 C ATOM 379 O HIS A 28 0.024 -11.153 2.468 1.00 0.00 O ATOM 380 CB HIS A 28 -2.639 -9.880 4.311 1.00 0.00 C ATOM 381 CG HIS A 28 -3.569 -8.706 4.303 1.00 0.00 C ATOM 382 ND1 HIS A 28 -4.112 -8.170 5.451 1.00 0.00 N ATOM 383 CD2 HIS A 28 -4.049 -7.964 3.280 1.00 0.00 C ATOM 384 CE1 HIS A 28 -4.887 -7.148 5.133 1.00 0.00 C ATOM 385 NE2 HIS A 28 -4.866 -7.002 3.821 1.00 0.00 N ATOM 0 H HIS A 28 -4.214 -10.590 2.520 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.791 -9.430 2.389 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.136 -10.723 4.791 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.766 -9.637 4.917 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -3.830 -8.102 2.231 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.443 -6.536 5.828 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -5.374 -6.291 3.295 1.00 0.00 H new ATOM 393 N ASN A 29 -1.321 -12.411 3.758 1.00 0.00 N ATOM 394 CA ASN A 29 -0.335 -13.469 3.946 1.00 0.00 C ATOM 395 C ASN A 29 0.393 -13.771 2.640 1.00 0.00 C ATOM 396 O ASN A 29 1.566 -14.146 2.643 1.00 0.00 O ATOM 397 CB ASN A 29 -1.010 -14.737 4.471 1.00 0.00 C ATOM 398 CG ASN A 29 -2.374 -14.968 3.848 1.00 0.00 C ATOM 399 OD1 ASN A 29 -3.398 -14.571 4.404 1.00 0.00 O ATOM 400 ND2 ASN A 29 -2.391 -15.614 2.687 1.00 0.00 N ATOM 0 H ASN A 29 -2.211 -12.576 4.229 1.00 0.00 H new ATOM 0 HA ASN A 29 0.395 -13.125 4.678 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.371 -15.596 4.268 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.115 -14.667 5.554 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.278 -15.799 2.219 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.517 -15.924 2.263 1.00 0.00 H new ATOM 407 N SER A 30 -0.312 -13.607 1.524 1.00 0.00 N ATOM 408 CA SER A 30 0.266 -13.865 0.210 1.00 0.00 C ATOM 409 C SER A 30 1.182 -12.722 -0.215 1.00 0.00 C ATOM 410 O SER A 30 2.382 -12.913 -0.416 1.00 0.00 O ATOM 411 CB SER A 30 -0.841 -14.060 -0.827 1.00 0.00 C ATOM 412 OG SER A 30 -0.359 -14.761 -1.961 1.00 0.00 O ATOM 0 H SER A 30 -1.284 -13.297 1.504 1.00 0.00 H new ATOM 0 HA SER A 30 0.859 -14.777 0.274 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.669 -14.610 -0.380 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.231 -13.090 -1.134 1.00 0.00 H new ATOM 0 HG SER A 30 -1.086 -14.875 -2.609 1.00 0.00 H new ATOM 418 N LEU A 31 0.608 -11.531 -0.350 1.00 0.00 N ATOM 419 CA LEU A 31 1.371 -10.355 -0.752 1.00 0.00 C ATOM 420 C LEU A 31 2.624 -10.199 0.105 1.00 0.00 C ATOM 421 O LEU A 31 3.712 -9.941 -0.410 1.00 0.00 O ATOM 422 CB LEU A 31 0.505 -9.098 -0.641 1.00 0.00 C ATOM 423 CG LEU A 31 -0.337 -8.754 -1.870 1.00 0.00 C ATOM 424 CD1 LEU A 31 -1.539 -7.910 -1.474 1.00 0.00 C ATOM 425 CD2 LEU A 31 0.506 -8.029 -2.909 1.00 0.00 C ATOM 0 H LEU A 31 -0.383 -11.355 -0.187 1.00 0.00 H new ATOM 0 HA LEU A 31 1.677 -10.489 -1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.164 -9.216 0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.155 -8.251 -0.422 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.699 -9.683 -2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.127 -7.675 -2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.156 -8.465 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.197 -6.985 -1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.110 -7.792 -3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.898 -7.107 -2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.334 -8.668 -3.216 1.00 0.00 H new ATOM 437 N ILE A 32 2.462 -10.361 1.414 1.00 0.00 N ATOM 438 CA ILE A 32 3.580 -10.242 2.341 1.00 0.00 C ATOM 439 C ILE A 32 4.653 -11.285 2.047 1.00 0.00 C ATOM 440 O ILE A 32 5.788 -10.947 1.713 1.00 0.00 O ATOM 441 CB ILE A 32 3.118 -10.396 3.803 1.00 0.00 C ATOM 442 CG1 ILE A 32 1.972 -9.429 4.103 1.00 0.00 C ATOM 443 CG2 ILE A 32 4.282 -10.158 4.754 1.00 0.00 C ATOM 444 CD1 ILE A 32 1.073 -9.888 5.229 1.00 0.00 C ATOM 0 H ILE A 32 1.568 -10.575 1.856 1.00 0.00 H new ATOM 0 HA ILE A 32 3.999 -9.245 2.203 1.00 0.00 H new ATOM 0 HB ILE A 32 2.757 -11.414 3.949 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.387 -8.453 4.355 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.373 -9.297 3.202 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.940 -10.270 5.783 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.071 -10.883 4.553 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.670 -9.150 4.609 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.283 -9.154 5.386 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.629 -10.849 4.971 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.658 -9.992 6.143 1.00 0.00 H new ATOM 456 N GLY A 33 4.283 -12.556 2.169 1.00 0.00 N ATOM 457 CA GLY A 33 5.224 -13.630 1.911 1.00 0.00 C ATOM 458 C GLY A 33 5.508 -14.464 3.145 1.00 0.00 C ATOM 459 O GLY A 33 5.325 -14.000 4.271 1.00 0.00 O ATOM 0 H GLY A 33 3.349 -12.861 2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.829 -14.273 1.125 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.158 -13.209 1.539 1.00 0.00 H new ATOM 463 N THR A 34 5.953 -15.698 2.934 1.00 0.00 N ATOM 464 CA THR A 34 6.260 -16.599 4.039 1.00 0.00 C ATOM 465 C THR A 34 6.983 -15.865 5.162 1.00 0.00 C ATOM 466 O THR A 34 6.697 -16.075 6.341 1.00 0.00 O ATOM 467 CB THR A 34 7.126 -17.784 3.573 1.00 0.00 C ATOM 468 OG1 THR A 34 7.533 -18.567 4.702 1.00 0.00 O ATOM 469 CG2 THR A 34 8.354 -17.293 2.821 1.00 0.00 C ATOM 0 H THR A 34 6.109 -16.097 2.008 1.00 0.00 H new ATOM 0 HA THR A 34 5.309 -16.979 4.411 1.00 0.00 H new ATOM 0 HB THR A 34 6.529 -18.400 2.900 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.082 -19.319 4.397 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.951 -18.147 2.502 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.041 -16.722 1.947 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.951 -16.658 3.475 1.00 0.00 H new ATOM 477 N LYS A 35 7.922 -15.001 4.790 1.00 0.00 N ATOM 478 CA LYS A 35 8.686 -14.234 5.767 1.00 0.00 C ATOM 479 C LYS A 35 8.793 -12.771 5.345 1.00 0.00 C ATOM 480 O LYS A 35 9.848 -12.154 5.477 1.00 0.00 O ATOM 481 CB LYS A 35 10.086 -14.831 5.932 1.00 0.00 C ATOM 482 CG LYS A 35 10.169 -15.892 7.016 1.00 0.00 C ATOM 483 CD LYS A 35 9.846 -17.272 6.471 1.00 0.00 C ATOM 484 CE LYS A 35 9.811 -18.315 7.579 1.00 0.00 C ATOM 485 NZ LYS A 35 11.146 -18.496 8.213 1.00 0.00 N ATOM 0 H LYS A 35 8.172 -14.815 3.819 1.00 0.00 H new ATOM 0 HA LYS A 35 8.162 -14.282 6.721 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.401 -15.267 4.984 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.789 -14.031 6.164 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.170 -15.895 7.447 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.476 -15.646 7.821 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.882 -17.247 5.963 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.591 -17.554 5.727 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.087 -18.016 8.337 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.471 -19.267 7.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.105 -19.284 8.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.853 -18.707 7.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.414 -17.624 8.712 1.00 0.00 H new ATOM 499 N GLY A 36 7.691 -12.223 4.841 1.00 0.00 N ATOM 500 CA GLY A 36 7.682 -10.838 4.411 1.00 0.00 C ATOM 501 C GLY A 36 8.721 -10.556 3.344 1.00 0.00 C ATOM 502 O GLY A 36 9.582 -9.693 3.518 1.00 0.00 O ATOM 0 H GLY A 36 6.805 -12.714 4.723 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.693 -10.586 4.027 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.864 -10.193 5.270 1.00 0.00 H new ATOM 506 N ARG A 37 8.641 -11.284 2.236 1.00 0.00 N ATOM 507 CA ARG A 37 9.584 -11.110 1.136 1.00 0.00 C ATOM 508 C ARG A 37 8.914 -10.422 -0.050 1.00 0.00 C ATOM 509 O ARG A 37 9.387 -9.391 -0.531 1.00 0.00 O ATOM 510 CB ARG A 37 10.149 -12.463 0.702 1.00 0.00 C ATOM 511 CG ARG A 37 11.053 -12.382 -0.517 1.00 0.00 C ATOM 512 CD ARG A 37 10.274 -12.602 -1.804 1.00 0.00 C ATOM 513 NE ARG A 37 11.032 -12.186 -2.982 1.00 0.00 N ATOM 514 CZ ARG A 37 10.794 -12.641 -4.207 1.00 0.00 C ATOM 515 NH1 ARG A 37 9.824 -13.521 -4.414 1.00 0.00 N ATOM 516 NH2 ARG A 37 11.527 -12.215 -5.227 1.00 0.00 N ATOM 0 H ARG A 37 7.933 -12.000 2.075 1.00 0.00 H new ATOM 0 HA ARG A 37 10.401 -10.479 1.486 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.709 -12.896 1.531 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.323 -13.140 0.487 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.539 -11.407 -0.547 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.843 -13.129 -0.436 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.014 -13.657 -1.894 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.338 -12.046 -1.760 1.00 0.00 H new ATOM 0 HE ARG A 37 11.785 -11.509 -2.857 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.258 -13.850 -3.632 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.643 -13.869 -5.356 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.274 -11.538 -5.071 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.344 -12.565 -6.168 1.00 0.00 H new ATOM 530 N LEU A 38 7.812 -10.998 -0.516 1.00 0.00 N ATOM 531 CA LEU A 38 7.078 -10.441 -1.647 1.00 0.00 C ATOM 532 C LEU A 38 6.831 -8.949 -1.454 1.00 0.00 C ATOM 533 O LEU A 38 6.597 -8.218 -2.418 1.00 0.00 O ATOM 534 CB LEU A 38 5.746 -11.172 -1.825 1.00 0.00 C ATOM 535 CG LEU A 38 5.775 -12.416 -2.712 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.159 -13.643 -1.899 1.00 0.00 C ATOM 537 CD2 LEU A 38 4.427 -12.622 -3.388 1.00 0.00 C ATOM 0 H LEU A 38 7.407 -11.850 -0.129 1.00 0.00 H new ATOM 0 HA LEU A 38 7.683 -10.577 -2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.379 -11.461 -0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.023 -10.471 -2.241 1.00 0.00 H new ATOM 0 HG LEU A 38 6.528 -12.268 -3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.174 -14.519 -2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.148 -13.496 -1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.431 -13.794 -1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.467 -13.512 -4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.655 -12.747 -2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.193 -11.754 -4.004 1.00 0.00 H new ATOM 549 N ILE A 39 6.885 -8.502 -0.203 1.00 0.00 N ATOM 550 CA ILE A 39 6.672 -7.096 0.115 1.00 0.00 C ATOM 551 C ILE A 39 7.997 -6.357 0.259 1.00 0.00 C ATOM 552 O ILE A 39 8.168 -5.259 -0.272 1.00 0.00 O ATOM 553 CB ILE A 39 5.860 -6.930 1.414 1.00 0.00 C ATOM 554 CG1 ILE A 39 4.369 -7.132 1.139 1.00 0.00 C ATOM 555 CG2 ILE A 39 6.112 -5.560 2.025 1.00 0.00 C ATOM 556 CD1 ILE A 39 3.760 -6.044 0.282 1.00 0.00 C ATOM 0 H ILE A 39 7.074 -9.094 0.606 1.00 0.00 H new ATOM 0 HA ILE A 39 6.109 -6.667 -0.714 1.00 0.00 H new ATOM 0 HB ILE A 39 6.184 -7.688 2.127 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.226 -8.094 0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.835 -7.177 2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.531 -5.458 2.942 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.172 -5.453 2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.813 -4.786 1.318 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.701 -6.252 0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.872 -5.082 0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.268 -6.013 -0.682 1.00 0.00 H new ATOM 568 N ARG A 40 8.933 -6.966 0.978 1.00 0.00 N ATOM 569 CA ARG A 40 10.245 -6.366 1.192 1.00 0.00 C ATOM 570 C ARG A 40 10.871 -5.944 -0.134 1.00 0.00 C ATOM 571 O ARG A 40 11.648 -4.990 -0.188 1.00 0.00 O ATOM 572 CB ARG A 40 11.168 -7.350 1.915 1.00 0.00 C ATOM 573 CG ARG A 40 11.968 -8.237 0.974 1.00 0.00 C ATOM 574 CD ARG A 40 12.999 -9.061 1.729 1.00 0.00 C ATOM 575 NE ARG A 40 12.385 -9.903 2.751 1.00 0.00 N ATOM 576 CZ ARG A 40 12.979 -10.965 3.282 1.00 0.00 C ATOM 577 NH1 ARG A 40 14.197 -11.314 2.891 1.00 0.00 N ATOM 578 NH2 ARG A 40 12.355 -11.682 4.209 1.00 0.00 N ATOM 0 H ARG A 40 8.808 -7.875 1.423 1.00 0.00 H new ATOM 0 HA ARG A 40 10.115 -5.479 1.812 1.00 0.00 H new ATOM 0 HB2 ARG A 40 11.857 -6.791 2.548 1.00 0.00 H new ATOM 0 HB3 ARG A 40 10.570 -7.980 2.574 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.292 -8.902 0.436 1.00 0.00 H new ATOM 0 HG3 ARG A 40 12.469 -7.620 0.228 1.00 0.00 H new ATOM 0 HD2 ARG A 40 13.548 -9.687 1.026 1.00 0.00 H new ATOM 0 HD3 ARG A 40 13.724 -8.395 2.196 1.00 0.00 H new ATOM 0 HE ARG A 40 11.448 -9.662 3.075 1.00 0.00 H new ATOM 0 HH11 ARG A 40 14.681 -10.766 2.180 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.650 -12.131 3.301 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.418 -11.417 4.514 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.812 -12.498 4.616 1.00 0.00 H new ATOM 592 N SER A 41 10.529 -6.661 -1.199 1.00 0.00 N ATOM 593 CA SER A 41 11.061 -6.364 -2.523 1.00 0.00 C ATOM 594 C SER A 41 10.516 -5.037 -3.043 1.00 0.00 C ATOM 595 O SER A 41 11.264 -4.202 -3.553 1.00 0.00 O ATOM 596 CB SER A 41 10.713 -7.487 -3.501 1.00 0.00 C ATOM 597 OG SER A 41 11.678 -8.525 -3.449 1.00 0.00 O ATOM 0 H SER A 41 9.886 -7.452 -1.171 1.00 0.00 H new ATOM 0 HA SER A 41 12.145 -6.286 -2.441 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.728 -7.889 -3.263 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.658 -7.088 -4.514 1.00 0.00 H new ATOM 0 HG SER A 41 11.433 -9.232 -4.082 1.00 0.00 H new ATOM 603 N ILE A 42 9.207 -4.849 -2.908 1.00 0.00 N ATOM 604 CA ILE A 42 8.561 -3.623 -3.363 1.00 0.00 C ATOM 605 C ILE A 42 9.018 -2.424 -2.540 1.00 0.00 C ATOM 606 O ILE A 42 9.430 -1.402 -3.088 1.00 0.00 O ATOM 607 CB ILE A 42 7.027 -3.733 -3.282 1.00 0.00 C ATOM 608 CG1 ILE A 42 6.526 -4.859 -4.188 1.00 0.00 C ATOM 609 CG2 ILE A 42 6.381 -2.410 -3.665 1.00 0.00 C ATOM 610 CD1 ILE A 42 5.132 -5.336 -3.845 1.00 0.00 C ATOM 0 H ILE A 42 8.574 -5.529 -2.488 1.00 0.00 H new ATOM 0 HA ILE A 42 8.852 -3.479 -4.403 1.00 0.00 H new ATOM 0 HB ILE A 42 6.748 -3.968 -2.255 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.539 -4.515 -5.222 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.216 -5.701 -4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.297 -2.503 -3.603 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.718 -1.630 -2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.665 -2.148 -4.684 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.842 -6.135 -4.528 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.117 -5.711 -2.822 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.431 -4.507 -3.938 1.00 0.00 H new ATOM 622 N MET A 43 8.944 -2.556 -1.219 1.00 0.00 N ATOM 623 CA MET A 43 9.353 -1.483 -0.319 1.00 0.00 C ATOM 624 C MET A 43 10.688 -0.888 -0.755 1.00 0.00 C ATOM 625 O MET A 43 10.951 0.295 -0.538 1.00 0.00 O ATOM 626 CB MET A 43 9.457 -2.004 1.115 1.00 0.00 C ATOM 627 CG MET A 43 8.119 -2.396 1.718 1.00 0.00 C ATOM 628 SD MET A 43 8.101 -2.265 3.516 1.00 0.00 S ATOM 629 CE MET A 43 9.375 -3.445 3.955 1.00 0.00 C ATOM 0 H MET A 43 8.605 -3.395 -0.748 1.00 0.00 H new ATOM 0 HA MET A 43 8.596 -0.700 -0.359 1.00 0.00 H new ATOM 0 HB2 MET A 43 10.121 -2.868 1.131 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.917 -1.237 1.739 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.338 -1.759 1.304 1.00 0.00 H new ATOM 0 HG3 MET A 43 7.881 -3.420 1.430 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.495 -3.465 5.038 1.00 0.00 H new ATOM 0 HE2 MET A 43 9.090 -4.436 3.603 1.00 0.00 H new ATOM 0 HE3 MET A 43 10.317 -3.153 3.491 1.00 0.00 H new ATOM 639 N GLU A 44 11.527 -1.715 -1.371 1.00 0.00 N ATOM 640 CA GLU A 44 12.836 -1.268 -1.837 1.00 0.00 C ATOM 641 C GLU A 44 12.746 -0.700 -3.249 1.00 0.00 C ATOM 642 O GLU A 44 13.029 0.476 -3.475 1.00 0.00 O ATOM 643 CB GLU A 44 13.835 -2.426 -1.802 1.00 0.00 C ATOM 644 CG GLU A 44 15.287 -1.977 -1.802 1.00 0.00 C ATOM 645 CD GLU A 44 15.671 -1.249 -0.528 1.00 0.00 C ATOM 646 OE1 GLU A 44 15.757 -1.907 0.529 1.00 0.00 O ATOM 647 OE2 GLU A 44 15.887 -0.020 -0.590 1.00 0.00 O ATOM 0 H GLU A 44 11.325 -2.697 -1.559 1.00 0.00 H new ATOM 0 HA GLU A 44 13.182 -0.479 -1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.650 -3.028 -0.912 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.662 -3.070 -2.664 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.932 -2.846 -1.928 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.462 -1.323 -2.657 1.00 0.00 H new ATOM 654 N GLU A 45 12.350 -1.544 -4.197 1.00 0.00 N ATOM 655 CA GLU A 45 12.225 -1.126 -5.588 1.00 0.00 C ATOM 656 C GLU A 45 11.601 0.263 -5.684 1.00 0.00 C ATOM 657 O GLU A 45 12.103 1.132 -6.397 1.00 0.00 O ATOM 658 CB GLU A 45 11.380 -2.133 -6.372 1.00 0.00 C ATOM 659 CG GLU A 45 12.074 -3.467 -6.594 1.00 0.00 C ATOM 660 CD GLU A 45 13.036 -3.437 -7.765 1.00 0.00 C ATOM 661 OE1 GLU A 45 12.564 -3.436 -8.922 1.00 0.00 O ATOM 662 OE2 GLU A 45 14.261 -3.415 -7.526 1.00 0.00 O ATOM 0 H GLU A 45 12.110 -2.521 -4.027 1.00 0.00 H new ATOM 0 HA GLU A 45 13.225 -1.087 -6.021 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.445 -2.304 -5.838 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.121 -1.702 -7.339 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.616 -3.745 -5.690 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.323 -4.239 -6.765 1.00 0.00 H new ATOM 669 N CYS A 46 10.503 0.462 -4.964 1.00 0.00 N ATOM 670 CA CYS A 46 9.808 1.744 -4.968 1.00 0.00 C ATOM 671 C CYS A 46 10.728 2.864 -4.491 1.00 0.00 C ATOM 672 O CYS A 46 10.789 3.932 -5.097 1.00 0.00 O ATOM 673 CB CYS A 46 8.565 1.678 -4.081 1.00 0.00 C ATOM 674 SG CYS A 46 8.919 1.377 -2.334 1.00 0.00 S ATOM 0 H CYS A 46 10.075 -0.248 -4.370 1.00 0.00 H new ATOM 0 HA CYS A 46 9.504 1.959 -5.992 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.016 2.615 -4.173 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.911 0.888 -4.449 1.00 0.00 H new ATOM 0 HG CYS A 46 8.881 2.502 -1.683 1.00 0.00 H new ATOM 680 N GLY A 47 11.443 2.610 -3.399 1.00 0.00 N ATOM 681 CA GLY A 47 12.349 3.606 -2.858 1.00 0.00 C ATOM 682 C GLY A 47 12.712 3.334 -1.411 1.00 0.00 C ATOM 683 O GLY A 47 13.852 3.544 -1.000 1.00 0.00 O ATOM 0 H GLY A 47 11.411 1.733 -2.880 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.258 3.631 -3.459 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.889 4.591 -2.935 1.00 0.00 H new ATOM 687 N GLY A 48 11.737 2.869 -0.635 1.00 0.00 N ATOM 688 CA GLY A 48 11.979 2.578 0.765 1.00 0.00 C ATOM 689 C GLY A 48 10.775 2.878 1.636 1.00 0.00 C ATOM 690 O GLY A 48 10.918 3.346 2.766 1.00 0.00 O ATOM 0 H GLY A 48 10.784 2.689 -0.952 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.249 1.528 0.873 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.830 3.163 1.113 1.00 0.00 H new ATOM 694 N VAL A 49 9.584 2.609 1.110 1.00 0.00 N ATOM 695 CA VAL A 49 8.350 2.853 1.846 1.00 0.00 C ATOM 696 C VAL A 49 8.019 1.684 2.767 1.00 0.00 C ATOM 697 O VAL A 49 8.446 0.553 2.532 1.00 0.00 O ATOM 698 CB VAL A 49 7.165 3.091 0.892 1.00 0.00 C ATOM 699 CG1 VAL A 49 7.376 4.365 0.087 1.00 0.00 C ATOM 700 CG2 VAL A 49 6.972 1.895 -0.028 1.00 0.00 C ATOM 0 H VAL A 49 9.448 2.222 0.176 1.00 0.00 H new ATOM 0 HA VAL A 49 8.511 3.750 2.445 1.00 0.00 H new ATOM 0 HB VAL A 49 6.260 3.211 1.488 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.529 4.517 -0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.460 5.214 0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.290 4.277 -0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.130 2.081 -0.695 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.875 1.740 -0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.772 1.005 0.569 1.00 0.00 H new ATOM 710 N HIS A 50 7.254 1.964 3.817 1.00 0.00 N ATOM 711 CA HIS A 50 6.864 0.935 4.776 1.00 0.00 C ATOM 712 C HIS A 50 5.382 0.600 4.639 1.00 0.00 C ATOM 713 O HIS A 50 4.558 1.479 4.384 1.00 0.00 O ATOM 714 CB HIS A 50 7.167 1.394 6.201 1.00 0.00 C ATOM 715 CG HIS A 50 8.596 1.786 6.414 1.00 0.00 C ATOM 716 ND1 HIS A 50 9.274 1.550 7.591 1.00 0.00 N ATOM 717 CD2 HIS A 50 9.477 2.401 5.591 1.00 0.00 C ATOM 718 CE1 HIS A 50 10.511 2.003 7.484 1.00 0.00 C ATOM 719 NE2 HIS A 50 10.660 2.524 6.279 1.00 0.00 N ATOM 0 H HIS A 50 6.892 2.894 4.026 1.00 0.00 H new ATOM 0 HA HIS A 50 7.443 0.036 4.563 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.526 2.242 6.445 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.912 0.592 6.894 1.00 0.00 H new ATOM 0 HD2 HIS A 50 9.286 2.733 4.581 1.00 0.00 H new ATOM 0 HE1 HIS A 50 11.270 1.955 8.251 1.00 0.00 H new ATOM 0 HE2 HIS A 50 11.514 2.949 5.918 1.00 0.00 H new ATOM 727 N ILE A 51 5.050 -0.675 4.810 1.00 0.00 N ATOM 728 CA ILE A 51 3.667 -1.125 4.707 1.00 0.00 C ATOM 729 C ILE A 51 3.216 -1.816 5.990 1.00 0.00 C ATOM 730 O ILE A 51 3.989 -2.534 6.626 1.00 0.00 O ATOM 731 CB ILE A 51 3.477 -2.091 3.524 1.00 0.00 C ATOM 732 CG1 ILE A 51 4.090 -1.501 2.251 1.00 0.00 C ATOM 733 CG2 ILE A 51 1.999 -2.390 3.316 1.00 0.00 C ATOM 734 CD1 ILE A 51 4.290 -2.519 1.150 1.00 0.00 C ATOM 0 H ILE A 51 5.720 -1.415 5.021 1.00 0.00 H new ATOM 0 HA ILE A 51 3.058 -0.236 4.542 1.00 0.00 H new ATOM 0 HB ILE A 51 3.989 -3.026 3.752 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.446 -0.702 1.884 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.051 -1.049 2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.881 -3.074 2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.590 -2.847 4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.466 -1.463 3.106 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.728 -2.031 0.279 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.958 -3.306 1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.328 -2.954 0.878 1.00 0.00 H new ATOM 746 N HIS A 52 1.960 -1.594 6.365 1.00 0.00 N ATOM 747 CA HIS A 52 1.405 -2.198 7.571 1.00 0.00 C ATOM 748 C HIS A 52 0.315 -3.207 7.222 1.00 0.00 C ATOM 749 O HIS A 52 -0.614 -2.900 6.475 1.00 0.00 O ATOM 750 CB HIS A 52 0.838 -1.117 8.493 1.00 0.00 C ATOM 751 CG HIS A 52 1.832 -0.056 8.854 1.00 0.00 C ATOM 752 ND1 HIS A 52 1.966 0.446 10.130 1.00 0.00 N ATOM 753 CD2 HIS A 52 2.745 0.597 8.096 1.00 0.00 C ATOM 754 CE1 HIS A 52 2.916 1.364 10.143 1.00 0.00 C ATOM 755 NE2 HIS A 52 3.405 1.473 8.921 1.00 0.00 N ATOM 0 H HIS A 52 1.308 -1.001 5.852 1.00 0.00 H new ATOM 0 HA HIS A 52 2.209 -2.722 8.088 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.019 -0.650 8.008 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.471 -1.586 9.406 1.00 0.00 H new ATOM 0 HD1 HIS A 52 1.417 0.154 10.939 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.921 0.455 7.040 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.238 1.929 11.005 1.00 0.00 H new ATOM 763 N PHE A 53 0.437 -4.413 7.766 1.00 0.00 N ATOM 764 CA PHE A 53 -0.536 -5.469 7.510 1.00 0.00 C ATOM 765 C PHE A 53 -1.088 -6.029 8.818 1.00 0.00 C ATOM 766 O PHE A 53 -0.369 -6.627 9.620 1.00 0.00 O ATOM 767 CB PHE A 53 0.102 -6.593 6.691 1.00 0.00 C ATOM 768 CG PHE A 53 0.032 -6.367 5.208 1.00 0.00 C ATOM 769 CD1 PHE A 53 -1.171 -6.492 4.531 1.00 0.00 C ATOM 770 CD2 PHE A 53 1.168 -6.030 4.490 1.00 0.00 C ATOM 771 CE1 PHE A 53 -1.238 -6.286 3.166 1.00 0.00 C ATOM 772 CE2 PHE A 53 1.107 -5.821 3.126 1.00 0.00 C ATOM 773 CZ PHE A 53 -0.099 -5.949 2.462 1.00 0.00 C ATOM 0 H PHE A 53 1.200 -4.684 8.387 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.361 -5.038 6.942 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.146 -6.699 6.986 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.394 -7.533 6.931 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.066 -6.753 5.076 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.113 -5.929 5.003 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.181 -6.389 2.650 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.000 -5.558 2.579 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.150 -5.786 1.396 1.00 0.00 H new ATOM 783 N PRO A 54 -2.395 -5.830 9.042 1.00 0.00 N ATOM 784 CA PRO A 54 -3.074 -6.307 10.251 1.00 0.00 C ATOM 785 C PRO A 54 -3.199 -7.826 10.285 1.00 0.00 C ATOM 786 O PRO A 54 -3.122 -8.488 9.250 1.00 0.00 O ATOM 787 CB PRO A 54 -4.458 -5.658 10.160 1.00 0.00 C ATOM 788 CG PRO A 54 -4.671 -5.422 8.704 1.00 0.00 C ATOM 789 CD PRO A 54 -3.313 -5.126 8.130 1.00 0.00 C ATOM 0 HA PRO A 54 -2.525 -6.047 11.156 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.229 -6.309 10.572 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.495 -4.725 10.722 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.114 -6.297 8.228 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.354 -4.589 8.539 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.221 -5.491 7.107 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.112 -4.055 8.106 1.00 0.00 H new ATOM 797 N VAL A 55 -3.392 -8.372 11.481 1.00 0.00 N ATOM 798 CA VAL A 55 -3.529 -9.814 11.650 1.00 0.00 C ATOM 799 C VAL A 55 -4.961 -10.264 11.389 1.00 0.00 C ATOM 800 O VAL A 55 -5.890 -9.458 11.419 1.00 0.00 O ATOM 801 CB VAL A 55 -3.115 -10.255 13.066 1.00 0.00 C ATOM 802 CG1 VAL A 55 -4.148 -9.809 14.089 1.00 0.00 C ATOM 803 CG2 VAL A 55 -2.917 -11.763 13.118 1.00 0.00 C ATOM 0 H VAL A 55 -3.457 -7.838 12.347 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.865 -10.282 10.923 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.166 -9.778 13.313 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.838 -10.130 15.083 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.234 -8.723 14.069 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.114 -10.254 13.849 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.625 -12.057 14.126 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.849 -12.262 12.850 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.136 -12.052 12.415 1.00 0.00 H new ATOM 813 N GLU A 56 -5.132 -11.557 11.131 1.00 0.00 N ATOM 814 CA GLU A 56 -6.453 -12.115 10.864 1.00 0.00 C ATOM 815 C GLU A 56 -7.344 -12.018 12.099 1.00 0.00 C ATOM 816 O GLU A 56 -8.450 -11.482 12.040 1.00 0.00 O ATOM 817 CB GLU A 56 -6.334 -13.573 10.419 1.00 0.00 C ATOM 818 CG GLU A 56 -5.715 -13.741 9.042 1.00 0.00 C ATOM 819 CD GLU A 56 -4.223 -13.470 9.037 1.00 0.00 C ATOM 820 OE1 GLU A 56 -3.479 -14.226 9.696 1.00 0.00 O ATOM 821 OE2 GLU A 56 -3.800 -12.500 8.373 1.00 0.00 O ATOM 0 H GLU A 56 -4.373 -12.237 11.101 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.910 -11.535 10.062 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.733 -14.118 11.147 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.325 -14.026 10.420 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.898 -14.755 8.687 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.206 -13.065 8.342 1.00 0.00 H new ATOM 828 N GLY A 57 -6.854 -12.543 13.218 1.00 0.00 N ATOM 829 CA GLY A 57 -7.618 -12.508 14.451 1.00 0.00 C ATOM 830 C GLY A 57 -8.213 -11.141 14.724 1.00 0.00 C ATOM 831 O GLY A 57 -9.412 -11.017 14.976 1.00 0.00 O ATOM 0 H GLY A 57 -5.941 -12.992 13.292 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.419 -13.246 14.400 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.974 -12.793 15.283 1.00 0.00 H new ATOM 835 N SER A 58 -7.373 -10.112 14.679 1.00 0.00 N ATOM 836 CA SER A 58 -7.823 -8.747 14.929 1.00 0.00 C ATOM 837 C SER A 58 -9.090 -8.438 14.138 1.00 0.00 C ATOM 838 O SER A 58 -10.008 -7.793 14.642 1.00 0.00 O ATOM 839 CB SER A 58 -6.722 -7.749 14.561 1.00 0.00 C ATOM 840 OG SER A 58 -7.012 -6.459 15.069 1.00 0.00 O ATOM 0 H SER A 58 -6.378 -10.197 14.472 1.00 0.00 H new ATOM 0 HA SER A 58 -8.048 -8.654 15.991 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.767 -8.093 14.958 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.618 -7.701 13.477 1.00 0.00 H new ATOM 0 HG SER A 58 -6.293 -5.841 14.822 1.00 0.00 H new ATOM 846 N GLY A 59 -9.132 -8.905 12.894 1.00 0.00 N ATOM 847 CA GLY A 59 -10.291 -8.669 12.052 1.00 0.00 C ATOM 848 C GLY A 59 -10.218 -7.339 11.327 1.00 0.00 C ATOM 849 O GLY A 59 -11.193 -6.588 11.296 1.00 0.00 O ATOM 0 H GLY A 59 -8.385 -9.442 12.454 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.376 -9.474 11.322 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.193 -8.697 12.664 1.00 0.00 H new ATOM 853 N SER A 60 -9.061 -7.047 10.742 1.00 0.00 N ATOM 854 CA SER A 60 -8.864 -5.796 10.018 1.00 0.00 C ATOM 855 C SER A 60 -8.324 -6.060 8.616 1.00 0.00 C ATOM 856 O SER A 60 -7.262 -6.661 8.451 1.00 0.00 O ATOM 857 CB SER A 60 -7.905 -4.885 10.785 1.00 0.00 C ATOM 858 OG SER A 60 -7.861 -3.591 10.209 1.00 0.00 O ATOM 0 H SER A 60 -8.245 -7.660 10.755 1.00 0.00 H new ATOM 0 HA SER A 60 -9.830 -5.299 9.928 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.221 -4.813 11.826 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.906 -5.321 10.785 1.00 0.00 H new ATOM 0 HG SER A 60 -7.242 -3.027 10.718 1.00 0.00 H new ATOM 864 N ASP A 61 -9.062 -5.606 7.610 1.00 0.00 N ATOM 865 CA ASP A 61 -8.657 -5.790 6.220 1.00 0.00 C ATOM 866 C ASP A 61 -8.169 -4.477 5.618 1.00 0.00 C ATOM 867 O ASP A 61 -8.335 -4.229 4.423 1.00 0.00 O ATOM 868 CB ASP A 61 -9.821 -6.342 5.397 1.00 0.00 C ATOM 869 CG ASP A 61 -10.491 -7.528 6.063 1.00 0.00 C ATOM 870 OD1 ASP A 61 -11.295 -7.311 6.994 1.00 0.00 O ATOM 871 OD2 ASP A 61 -10.211 -8.673 5.654 1.00 0.00 O ATOM 0 H ASP A 61 -9.944 -5.108 7.730 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.835 -6.506 6.198 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.557 -5.554 5.240 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.458 -6.639 4.413 1.00 0.00 H new ATOM 876 N THR A 62 -7.566 -3.636 6.453 1.00 0.00 N ATOM 877 CA THR A 62 -7.055 -2.347 6.003 1.00 0.00 C ATOM 878 C THR A 62 -5.534 -2.303 6.074 1.00 0.00 C ATOM 879 O THR A 62 -4.939 -2.659 7.092 1.00 0.00 O ATOM 880 CB THR A 62 -7.631 -1.191 6.843 1.00 0.00 C ATOM 881 OG1 THR A 62 -9.057 -1.150 6.710 1.00 0.00 O ATOM 882 CG2 THR A 62 -7.039 0.141 6.408 1.00 0.00 C ATOM 0 H THR A 62 -7.420 -3.825 7.445 1.00 0.00 H new ATOM 0 HA THR A 62 -7.370 -2.226 4.967 1.00 0.00 H new ATOM 0 HB THR A 62 -7.369 -1.365 7.887 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.415 -0.413 7.248 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.461 0.942 7.015 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.957 0.118 6.538 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.275 0.319 5.359 1.00 0.00 H new ATOM 890 N VAL A 63 -4.907 -1.862 4.987 1.00 0.00 N ATOM 891 CA VAL A 63 -3.454 -1.770 4.927 1.00 0.00 C ATOM 892 C VAL A 63 -2.994 -0.317 4.959 1.00 0.00 C ATOM 893 O VAL A 63 -3.462 0.510 4.177 1.00 0.00 O ATOM 894 CB VAL A 63 -2.900 -2.446 3.659 1.00 0.00 C ATOM 895 CG1 VAL A 63 -1.424 -2.122 3.483 1.00 0.00 C ATOM 896 CG2 VAL A 63 -3.122 -3.950 3.717 1.00 0.00 C ATOM 0 H VAL A 63 -5.384 -1.563 4.136 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.067 -2.290 5.804 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.438 -2.056 2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.050 -2.608 2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.297 -1.043 3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.867 -2.482 4.348 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.725 -4.412 2.813 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.611 -4.360 4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.189 -4.158 3.791 1.00 0.00 H new ATOM 906 N VAL A 64 -2.073 -0.013 5.868 1.00 0.00 N ATOM 907 CA VAL A 64 -1.547 1.341 5.999 1.00 0.00 C ATOM 908 C VAL A 64 -0.113 1.426 5.491 1.00 0.00 C ATOM 909 O VAL A 64 0.757 0.670 5.926 1.00 0.00 O ATOM 910 CB VAL A 64 -1.590 1.819 7.463 1.00 0.00 C ATOM 911 CG1 VAL A 64 -1.297 3.310 7.547 1.00 0.00 C ATOM 912 CG2 VAL A 64 -2.939 1.497 8.089 1.00 0.00 C ATOM 0 H VAL A 64 -1.676 -0.685 6.524 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.182 1.987 5.393 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.819 1.289 8.023 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.332 3.630 8.589 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.306 3.510 7.139 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.043 3.860 6.974 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.952 1.842 9.123 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.729 1.999 7.530 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.104 0.420 8.063 1.00 0.00 H new ATOM 922 N ILE A 65 0.128 2.350 4.566 1.00 0.00 N ATOM 923 CA ILE A 65 1.457 2.535 3.999 1.00 0.00 C ATOM 924 C ILE A 65 2.013 3.913 4.338 1.00 0.00 C ATOM 925 O ILE A 65 1.275 4.898 4.379 1.00 0.00 O ATOM 926 CB ILE A 65 1.446 2.359 2.469 1.00 0.00 C ATOM 927 CG1 ILE A 65 0.821 1.013 2.092 1.00 0.00 C ATOM 928 CG2 ILE A 65 2.858 2.467 1.914 1.00 0.00 C ATOM 929 CD1 ILE A 65 0.556 0.865 0.611 1.00 0.00 C ATOM 0 H ILE A 65 -0.581 2.982 4.194 1.00 0.00 H new ATOM 0 HA ILE A 65 2.097 1.770 4.439 1.00 0.00 H new ATOM 0 HB ILE A 65 0.842 3.154 2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.483 0.210 2.417 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.117 0.892 2.635 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.834 2.341 0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.270 3.447 2.156 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.483 1.691 2.356 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.113 -0.112 0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.130 1.646 0.284 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.494 0.954 0.063 1.00 0.00 H new ATOM 941 N ARG A 66 3.319 3.976 4.577 1.00 0.00 N ATOM 942 CA ARG A 66 3.974 5.236 4.911 1.00 0.00 C ATOM 943 C ARG A 66 5.090 5.548 3.918 1.00 0.00 C ATOM 944 O ARG A 66 5.749 4.645 3.406 1.00 0.00 O ATOM 945 CB ARG A 66 4.542 5.179 6.330 1.00 0.00 C ATOM 946 CG ARG A 66 3.536 5.559 7.404 1.00 0.00 C ATOM 947 CD ARG A 66 3.850 4.880 8.728 1.00 0.00 C ATOM 948 NE ARG A 66 4.740 5.687 9.559 1.00 0.00 N ATOM 949 CZ ARG A 66 4.388 6.850 10.098 1.00 0.00 C ATOM 950 NH1 ARG A 66 3.173 7.338 9.893 1.00 0.00 N ATOM 951 NH2 ARG A 66 5.253 7.525 10.843 1.00 0.00 N ATOM 0 H ARG A 66 3.944 3.171 4.546 1.00 0.00 H new ATOM 0 HA ARG A 66 3.229 6.030 4.856 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.907 4.171 6.526 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.401 5.847 6.396 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.538 6.641 7.539 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.533 5.280 7.080 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.922 4.691 9.268 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.311 3.911 8.538 1.00 0.00 H new ATOM 0 HE ARG A 66 5.683 5.339 9.735 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.506 6.821 9.321 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.905 8.231 10.308 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.189 7.152 11.003 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.983 8.417 11.256 1.00 0.00 H new ATOM 965 N GLY A 67 5.293 6.835 3.650 1.00 0.00 N ATOM 966 CA GLY A 67 6.328 7.244 2.719 1.00 0.00 C ATOM 967 C GLY A 67 5.880 8.372 1.812 1.00 0.00 C ATOM 968 O GLY A 67 4.769 8.891 1.933 1.00 0.00 O ATOM 0 H GLY A 67 4.759 7.601 4.061 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.210 7.559 3.277 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.624 6.389 2.111 1.00 0.00 H new ATOM 972 N PRO A 68 6.757 8.771 0.879 1.00 0.00 N ATOM 973 CA PRO A 68 6.467 9.851 -0.070 1.00 0.00 C ATOM 974 C PRO A 68 5.409 9.454 -1.094 1.00 0.00 C ATOM 975 O PRO A 68 5.536 8.432 -1.767 1.00 0.00 O ATOM 976 CB PRO A 68 7.814 10.089 -0.757 1.00 0.00 C ATOM 977 CG PRO A 68 8.538 8.794 -0.632 1.00 0.00 C ATOM 978 CD PRO A 68 8.098 8.199 0.677 1.00 0.00 C ATOM 0 HA PRO A 68 6.064 10.734 0.427 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.681 10.369 -1.802 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.365 10.898 -0.278 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.298 8.131 -1.463 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.617 8.947 -0.648 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.068 7.110 0.633 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.775 8.467 1.488 1.00 0.00 H new ATOM 986 N SER A 69 4.366 10.270 -1.206 1.00 0.00 N ATOM 987 CA SER A 69 3.284 10.002 -2.146 1.00 0.00 C ATOM 988 C SER A 69 3.827 9.422 -3.449 1.00 0.00 C ATOM 989 O SER A 69 3.459 8.317 -3.849 1.00 0.00 O ATOM 990 CB SER A 69 2.501 11.286 -2.434 1.00 0.00 C ATOM 991 OG SER A 69 3.360 12.315 -2.891 1.00 0.00 O ATOM 0 H SER A 69 4.247 11.122 -0.658 1.00 0.00 H new ATOM 0 HA SER A 69 2.615 9.270 -1.693 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.735 11.088 -3.183 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.986 11.612 -1.530 1.00 0.00 H new ATOM 0 HG SER A 69 2.836 13.124 -3.069 1.00 0.00 H new ATOM 997 N SER A 70 4.705 10.174 -4.104 1.00 0.00 N ATOM 998 CA SER A 70 5.296 9.737 -5.363 1.00 0.00 C ATOM 999 C SER A 70 5.507 8.225 -5.367 1.00 0.00 C ATOM 1000 O SER A 70 5.271 7.557 -6.374 1.00 0.00 O ATOM 1001 CB SER A 70 6.627 10.450 -5.601 1.00 0.00 C ATOM 1002 OG SER A 70 6.992 10.409 -6.969 1.00 0.00 O ATOM 0 H SER A 70 5.023 11.089 -3.784 1.00 0.00 H new ATOM 0 HA SER A 70 4.607 9.993 -6.168 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.551 11.487 -5.273 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.406 9.982 -5.000 1.00 0.00 H new ATOM 0 HG SER A 70 7.846 10.873 -7.094 1.00 0.00 H new ATOM 1008 N ASP A 71 5.957 7.694 -4.236 1.00 0.00 N ATOM 1009 CA ASP A 71 6.200 6.262 -4.107 1.00 0.00 C ATOM 1010 C ASP A 71 4.934 5.533 -3.664 1.00 0.00 C ATOM 1011 O ASP A 71 4.552 4.520 -4.250 1.00 0.00 O ATOM 1012 CB ASP A 71 7.329 6.002 -3.109 1.00 0.00 C ATOM 1013 CG ASP A 71 7.570 4.524 -2.879 1.00 0.00 C ATOM 1014 OD1 ASP A 71 6.583 3.761 -2.834 1.00 0.00 O ATOM 1015 OD2 ASP A 71 8.748 4.130 -2.745 1.00 0.00 O ATOM 0 H ASP A 71 6.161 8.234 -3.395 1.00 0.00 H new ATOM 0 HA ASP A 71 6.495 5.879 -5.084 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.246 6.464 -3.474 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.088 6.480 -2.159 1.00 0.00 H new ATOM 1020 N VAL A 72 4.291 6.055 -2.625 1.00 0.00 N ATOM 1021 CA VAL A 72 3.068 5.454 -2.103 1.00 0.00 C ATOM 1022 C VAL A 72 2.103 5.105 -3.230 1.00 0.00 C ATOM 1023 O VAL A 72 1.446 4.064 -3.196 1.00 0.00 O ATOM 1024 CB VAL A 72 2.361 6.394 -1.109 1.00 0.00 C ATOM 1025 CG1 VAL A 72 1.123 5.727 -0.531 1.00 0.00 C ATOM 1026 CG2 VAL A 72 3.316 6.816 -0.003 1.00 0.00 C ATOM 0 H VAL A 72 4.596 6.892 -2.128 1.00 0.00 H new ATOM 0 HA VAL A 72 3.360 4.541 -1.583 1.00 0.00 H new ATOM 0 HB VAL A 72 2.045 7.289 -1.645 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.637 6.406 0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.432 5.481 -1.337 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.411 4.814 -0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.799 7.480 0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.665 5.933 0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.169 7.338 -0.438 1.00 0.00 H new ATOM 1036 N GLU A 73 2.024 5.979 -4.227 1.00 0.00 N ATOM 1037 CA GLU A 73 1.138 5.762 -5.365 1.00 0.00 C ATOM 1038 C GLU A 73 1.594 4.559 -6.186 1.00 0.00 C ATOM 1039 O GLU A 73 0.773 3.803 -6.709 1.00 0.00 O ATOM 1040 CB GLU A 73 1.092 7.010 -6.250 1.00 0.00 C ATOM 1041 CG GLU A 73 2.316 7.174 -7.134 1.00 0.00 C ATOM 1042 CD GLU A 73 2.164 6.482 -8.476 1.00 0.00 C ATOM 1043 OE1 GLU A 73 1.296 5.592 -8.588 1.00 0.00 O ATOM 1044 OE2 GLU A 73 2.913 6.831 -9.412 1.00 0.00 O ATOM 0 H GLU A 73 2.562 6.844 -4.271 1.00 0.00 H new ATOM 0 HA GLU A 73 0.138 5.561 -4.982 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.203 6.966 -6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.991 7.891 -5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.503 8.236 -7.296 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.188 6.772 -6.619 1.00 0.00 H new ATOM 1051 N LYS A 74 2.906 4.389 -6.298 1.00 0.00 N ATOM 1052 CA LYS A 74 3.472 3.278 -7.054 1.00 0.00 C ATOM 1053 C LYS A 74 3.399 1.981 -6.254 1.00 0.00 C ATOM 1054 O LYS A 74 3.229 0.901 -6.819 1.00 0.00 O ATOM 1055 CB LYS A 74 4.925 3.577 -7.428 1.00 0.00 C ATOM 1056 CG LYS A 74 5.082 4.778 -8.345 1.00 0.00 C ATOM 1057 CD LYS A 74 6.538 5.015 -8.709 1.00 0.00 C ATOM 1058 CE LYS A 74 6.997 4.073 -9.812 1.00 0.00 C ATOM 1059 NZ LYS A 74 8.136 4.639 -10.587 1.00 0.00 N ATOM 0 H LYS A 74 3.598 5.007 -5.875 1.00 0.00 H new ATOM 0 HA LYS A 74 2.886 3.156 -7.965 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.498 3.749 -6.517 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.354 2.701 -7.914 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.500 4.622 -9.253 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.679 5.665 -7.856 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.670 6.047 -9.033 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.162 4.875 -7.826 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.293 3.119 -9.375 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.165 3.870 -10.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.419 3.967 -11.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.846 5.536 -11.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.940 4.809 -9.949 1.00 0.00 H new ATOM 1073 N ALA A 75 3.528 2.096 -4.937 1.00 0.00 N ATOM 1074 CA ALA A 75 3.473 0.932 -4.059 1.00 0.00 C ATOM 1075 C ALA A 75 2.063 0.357 -3.999 1.00 0.00 C ATOM 1076 O ALA A 75 1.880 -0.857 -3.905 1.00 0.00 O ATOM 1077 CB ALA A 75 3.955 1.301 -2.663 1.00 0.00 C ATOM 0 H ALA A 75 3.671 2.983 -4.454 1.00 0.00 H new ATOM 0 HA ALA A 75 4.132 0.167 -4.469 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.909 0.423 -2.018 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.983 1.659 -2.716 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.319 2.086 -2.254 1.00 0.00 H new ATOM 1083 N LYS A 76 1.067 1.235 -4.053 1.00 0.00 N ATOM 1084 CA LYS A 76 -0.328 0.815 -4.005 1.00 0.00 C ATOM 1085 C LYS A 76 -0.729 0.111 -5.298 1.00 0.00 C ATOM 1086 O LYS A 76 -1.253 -1.002 -5.274 1.00 0.00 O ATOM 1087 CB LYS A 76 -1.238 2.021 -3.765 1.00 0.00 C ATOM 1088 CG LYS A 76 -2.712 1.664 -3.677 1.00 0.00 C ATOM 1089 CD LYS A 76 -3.592 2.809 -4.148 1.00 0.00 C ATOM 1090 CE LYS A 76 -5.060 2.542 -3.851 1.00 0.00 C ATOM 1091 NZ LYS A 76 -5.952 3.497 -4.565 1.00 0.00 N ATOM 0 H LYS A 76 1.201 2.243 -4.130 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.441 0.113 -3.179 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.937 2.515 -2.841 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.095 2.740 -4.572 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.910 0.779 -4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.965 1.409 -2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.283 3.732 -3.658 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.457 2.956 -5.220 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.310 1.522 -4.144 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.233 2.617 -2.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.944 3.282 -4.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.730 4.468 -4.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.806 3.408 -5.591 1.00 0.00 H new ATOM 1105 N LYS A 77 -0.479 0.769 -6.425 1.00 0.00 N ATOM 1106 CA LYS A 77 -0.811 0.206 -7.729 1.00 0.00 C ATOM 1107 C LYS A 77 -0.138 -1.149 -7.924 1.00 0.00 C ATOM 1108 O LYS A 77 -0.642 -2.002 -8.653 1.00 0.00 O ATOM 1109 CB LYS A 77 -0.385 1.164 -8.844 1.00 0.00 C ATOM 1110 CG LYS A 77 1.089 1.071 -9.197 1.00 0.00 C ATOM 1111 CD LYS A 77 1.404 1.825 -10.478 1.00 0.00 C ATOM 1112 CE LYS A 77 2.618 1.240 -11.185 1.00 0.00 C ATOM 1113 NZ LYS A 77 3.893 1.697 -10.568 1.00 0.00 N ATOM 0 H LYS A 77 -0.048 1.693 -6.462 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.891 0.065 -7.772 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.977 0.957 -9.735 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.613 2.186 -8.540 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.686 1.475 -8.380 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.372 0.024 -9.311 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.542 1.789 -11.144 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.586 2.875 -10.248 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.568 0.152 -11.152 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.600 1.528 -12.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.696 1.277 -11.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.953 2.734 -10.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.922 1.400 -9.572 1.00 0.00 H new ATOM 1127 N GLN A 78 1.001 -1.338 -7.267 1.00 0.00 N ATOM 1128 CA GLN A 78 1.743 -2.590 -7.369 1.00 0.00 C ATOM 1129 C GLN A 78 1.086 -3.681 -6.529 1.00 0.00 C ATOM 1130 O GLN A 78 1.022 -4.841 -6.938 1.00 0.00 O ATOM 1131 CB GLN A 78 3.191 -2.389 -6.923 1.00 0.00 C ATOM 1132 CG GLN A 78 4.079 -1.781 -7.997 1.00 0.00 C ATOM 1133 CD GLN A 78 5.536 -1.715 -7.581 1.00 0.00 C ATOM 1134 OE1 GLN A 78 6.350 -2.541 -7.996 1.00 0.00 O ATOM 1135 NE2 GLN A 78 5.873 -0.729 -6.757 1.00 0.00 N ATOM 0 H GLN A 78 1.431 -0.641 -6.659 1.00 0.00 H new ATOM 0 HA GLN A 78 1.734 -2.904 -8.413 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.206 -1.745 -6.044 1.00 0.00 H new ATOM 0 HB3 GLN A 78 3.606 -3.350 -6.621 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.992 -2.369 -8.911 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.726 -0.776 -8.230 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.166 -0.067 -6.438 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.839 -0.634 -6.443 1.00 0.00 H new ATOM 1144 N LEU A 79 0.601 -3.302 -5.352 1.00 0.00 N ATOM 1145 CA LEU A 79 -0.050 -4.248 -4.451 1.00 0.00 C ATOM 1146 C LEU A 79 -1.353 -4.764 -5.054 1.00 0.00 C ATOM 1147 O LEU A 79 -1.658 -5.955 -4.974 1.00 0.00 O ATOM 1148 CB LEU A 79 -0.327 -3.588 -3.099 1.00 0.00 C ATOM 1149 CG LEU A 79 -0.312 -4.516 -1.884 1.00 0.00 C ATOM 1150 CD1 LEU A 79 1.106 -4.681 -1.357 1.00 0.00 C ATOM 1151 CD2 LEU A 79 -1.230 -3.983 -0.794 1.00 0.00 C ATOM 0 H LEU A 79 0.646 -2.346 -4.999 1.00 0.00 H new ATOM 0 HA LEU A 79 0.622 -5.094 -4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.414 -2.804 -2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.301 -3.101 -3.148 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.679 -5.495 -2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.098 -5.345 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.736 -5.109 -2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.501 -3.708 -1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.207 -4.656 0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.893 -2.993 -0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.249 -3.917 -1.176 1.00 0.00 H new ATOM 1163 N LEU A 80 -2.117 -3.862 -5.660 1.00 0.00 N ATOM 1164 CA LEU A 80 -3.386 -4.225 -6.279 1.00 0.00 C ATOM 1165 C LEU A 80 -3.169 -5.192 -7.440 1.00 0.00 C ATOM 1166 O LEU A 80 -3.929 -6.144 -7.619 1.00 0.00 O ATOM 1167 CB LEU A 80 -4.113 -2.973 -6.773 1.00 0.00 C ATOM 1168 CG LEU A 80 -5.060 -2.309 -5.772 1.00 0.00 C ATOM 1169 CD1 LEU A 80 -4.271 -1.590 -4.688 1.00 0.00 C ATOM 1170 CD2 LEU A 80 -5.994 -1.341 -6.484 1.00 0.00 C ATOM 0 H LEU A 80 -1.879 -2.873 -5.736 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.000 -4.721 -5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.366 -2.240 -7.078 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.684 -3.236 -7.664 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.663 -3.085 -5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.961 -1.123 -3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.643 -2.307 -4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.643 -0.824 -5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.661 -0.878 -5.757 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.407 -0.569 -6.982 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.584 -1.882 -7.224 1.00 0.00 H new ATOM 1182 N HIS A 81 -2.125 -4.941 -8.224 1.00 0.00 N ATOM 1183 CA HIS A 81 -1.806 -5.790 -9.366 1.00 0.00 C ATOM 1184 C HIS A 81 -1.490 -7.213 -8.913 1.00 0.00 C ATOM 1185 O HIS A 81 -1.952 -8.183 -9.514 1.00 0.00 O ATOM 1186 CB HIS A 81 -0.621 -5.214 -10.142 1.00 0.00 C ATOM 1187 CG HIS A 81 -0.497 -5.752 -11.533 1.00 0.00 C ATOM 1188 ND1 HIS A 81 -1.458 -5.558 -12.504 1.00 0.00 N ATOM 1189 CD2 HIS A 81 0.483 -6.481 -12.117 1.00 0.00 C ATOM 1190 CE1 HIS A 81 -1.074 -6.145 -13.623 1.00 0.00 C ATOM 1191 NE2 HIS A 81 0.101 -6.713 -13.415 1.00 0.00 N ATOM 0 H HIS A 81 -1.486 -4.157 -8.089 1.00 0.00 H new ATOM 0 HA HIS A 81 -2.678 -5.820 -10.020 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -0.721 -4.130 -10.188 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.298 -5.427 -9.596 1.00 0.00 H new ATOM 0 HD2 HIS A 81 1.396 -6.818 -11.649 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -1.627 -6.159 -14.551 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.637 -7.238 -14.106 1.00 0.00 H new ATOM 1199 N LEU A 82 -0.699 -7.328 -7.853 1.00 0.00 N ATOM 1200 CA LEU A 82 -0.320 -8.633 -7.319 1.00 0.00 C ATOM 1201 C LEU A 82 -1.516 -9.325 -6.673 1.00 0.00 C ATOM 1202 O LEU A 82 -1.961 -10.375 -7.134 1.00 0.00 O ATOM 1203 CB LEU A 82 0.808 -8.480 -6.298 1.00 0.00 C ATOM 1204 CG LEU A 82 2.062 -7.754 -6.788 1.00 0.00 C ATOM 1205 CD1 LEU A 82 2.906 -7.292 -5.609 1.00 0.00 C ATOM 1206 CD2 LEU A 82 2.875 -8.653 -7.708 1.00 0.00 C ATOM 0 H LEU A 82 -0.307 -6.535 -7.346 1.00 0.00 H new ATOM 0 HA LEU A 82 0.029 -9.250 -8.147 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.418 -7.945 -5.432 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.098 -9.473 -5.955 1.00 0.00 H new ATOM 0 HG LEU A 82 1.752 -6.875 -7.354 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.794 -6.778 -5.977 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.323 -6.611 -4.989 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.207 -8.156 -5.016 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.763 -8.119 -8.046 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.175 -9.551 -7.167 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.270 -8.934 -8.570 1.00 0.00 H new ATOM 1218 N ALA A 83 -2.031 -8.728 -5.603 1.00 0.00 N ATOM 1219 CA ALA A 83 -3.178 -9.284 -4.896 1.00 0.00 C ATOM 1220 C ALA A 83 -4.222 -9.813 -5.874 1.00 0.00 C ATOM 1221 O ALA A 83 -4.733 -10.921 -5.711 1.00 0.00 O ATOM 1222 CB ALA A 83 -3.793 -8.237 -3.980 1.00 0.00 C ATOM 0 H ALA A 83 -1.672 -7.859 -5.207 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.829 -10.120 -4.290 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.648 -8.667 -3.459 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.051 -7.910 -3.251 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.121 -7.383 -4.572 1.00 0.00 H new ATOM 1228 N GLU A 84 -4.535 -9.013 -6.888 1.00 0.00 N ATOM 1229 CA GLU A 84 -5.520 -9.402 -7.890 1.00 0.00 C ATOM 1230 C GLU A 84 -4.983 -10.522 -8.776 1.00 0.00 C ATOM 1231 O GLU A 84 -5.685 -11.493 -9.060 1.00 0.00 O ATOM 1232 CB GLU A 84 -5.905 -8.197 -8.753 1.00 0.00 C ATOM 1233 CG GLU A 84 -6.686 -7.134 -7.999 1.00 0.00 C ATOM 1234 CD GLU A 84 -8.040 -7.629 -7.527 1.00 0.00 C ATOM 1235 OE1 GLU A 84 -8.969 -7.697 -8.357 1.00 0.00 O ATOM 1236 OE2 GLU A 84 -8.168 -7.949 -6.326 1.00 0.00 O ATOM 0 H GLU A 84 -4.121 -8.093 -7.037 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.405 -9.767 -7.369 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.999 -7.749 -9.162 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.500 -8.542 -9.599 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.104 -6.803 -7.139 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.825 -6.266 -8.643 1.00 0.00 H new ATOM 1243 N GLU A 85 -3.734 -10.381 -9.208 1.00 0.00 N ATOM 1244 CA GLU A 85 -3.104 -11.382 -10.062 1.00 0.00 C ATOM 1245 C GLU A 85 -3.145 -12.759 -9.408 1.00 0.00 C ATOM 1246 O GLU A 85 -3.700 -13.707 -9.963 1.00 0.00 O ATOM 1247 CB GLU A 85 -1.656 -10.989 -10.360 1.00 0.00 C ATOM 1248 CG GLU A 85 -1.504 -10.102 -11.585 1.00 0.00 C ATOM 1249 CD GLU A 85 -1.837 -10.826 -12.875 1.00 0.00 C ATOM 1250 OE1 GLU A 85 -1.343 -11.959 -13.063 1.00 0.00 O ATOM 1251 OE2 GLU A 85 -2.591 -10.263 -13.696 1.00 0.00 O ATOM 0 H GLU A 85 -3.139 -9.584 -8.981 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.661 -11.428 -10.998 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.244 -10.471 -9.494 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.065 -11.894 -10.502 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.154 -9.233 -11.482 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.480 -9.731 -11.635 1.00 0.00 H new ATOM 1258 N LYS A 86 -2.553 -12.862 -8.223 1.00 0.00 N ATOM 1259 CA LYS A 86 -2.522 -14.122 -7.490 1.00 0.00 C ATOM 1260 C LYS A 86 -3.833 -14.883 -7.658 1.00 0.00 C ATOM 1261 O LYS A 86 -3.837 -16.100 -7.837 1.00 0.00 O ATOM 1262 CB LYS A 86 -2.254 -13.866 -6.005 1.00 0.00 C ATOM 1263 CG LYS A 86 -0.919 -13.198 -5.733 1.00 0.00 C ATOM 1264 CD LYS A 86 0.228 -14.192 -5.809 1.00 0.00 C ATOM 1265 CE LYS A 86 1.540 -13.505 -6.154 1.00 0.00 C ATOM 1266 NZ LYS A 86 2.693 -14.445 -6.092 1.00 0.00 N ATOM 0 H LYS A 86 -2.088 -12.087 -7.750 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.715 -14.731 -7.898 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.052 -13.241 -5.603 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.292 -14.814 -5.469 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.757 -12.399 -6.456 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.937 -12.736 -4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.327 -14.709 -4.854 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.005 -14.950 -6.560 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.474 -13.078 -7.155 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.709 -12.678 -5.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.568 -13.938 -6.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.773 -14.834 -5.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.545 -15.221 -6.768 1.00 0.00 H new