USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 808 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 29 TYR OH : rot 30:sc= 0.969 USER MOD Set 1.2: A 97 THR OG1 : rot -109:sc= 1.22 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.369 K(o=-0.37,f=-8.5!) USER MOD Single : A 39 ASN : amide:sc= -0.0231 X(o=-0.023,f=-0.28) USER MOD Single : A 40 LYS NZ :NH3+ -140:sc= 0.268 (180deg=-1.43!) USER MOD Single : A 49 SER OG : rot 180:sc= 0.078 USER MOD Single : A 53 SER OG : rot 180:sc= 0.699 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 130:sc= -0.331 USER MOD Single : A 58 GLN : amide:sc= -0.0255 X(o=-0.026,f=-0.16) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.307 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.165 X(o=-0.17,f=-0.22) USER MOD Single : A 76 LYS NZ :NH3+ -122:sc= -0.0884 (180deg=-0.556) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.591 K(o=-0.59,f=0.21) USER MOD Single : A 81 THR OG1 : rot 71:sc= 0.0619 USER MOD Single : A 83 CYS SG : rot 86:sc= -0.666 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.274 USER MOD Single : A 89 HIS : no HD1:sc= -0.359 K(o=-0.36,f=-3.8!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= -0.0377 K(o=-0.038,f=-1.3) USER MOD Single : A 107 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 177 N ALA A 13 -5.564 2.426 4.325 1.00 64.44 N ATOM 178 CA ALA A 13 -4.485 1.832 5.104 1.00 31.22 C ATOM 179 C ALA A 13 -4.927 0.517 5.739 1.00 63.11 C ATOM 180 O ALA A 13 -4.174 -0.458 5.756 1.00 1.44 O ATOM 181 CB ALA A 13 -4.012 2.803 6.175 1.00 3.23 C ATOM 0 HA ALA A 13 -3.656 1.620 4.429 1.00 31.22 H new ATOM 0 HB1 ALA A 13 -3.206 2.347 6.750 1.00 3.23 H new ATOM 0 HB2 ALA A 13 -3.649 3.716 5.703 1.00 3.23 H new ATOM 0 HB3 ALA A 13 -4.841 3.043 6.841 1.00 3.23 H new ATOM 187 N ASP A 14 -6.148 0.497 6.259 1.00 72.12 N ATOM 188 CA ASP A 14 -6.690 -0.699 6.895 1.00 42.04 C ATOM 189 C ASP A 14 -6.651 -1.887 5.938 1.00 14.30 C ATOM 190 O ASP A 14 -6.052 -2.919 6.240 1.00 60.00 O ATOM 191 CB ASP A 14 -8.125 -0.450 7.360 1.00 10.32 C ATOM 192 CG ASP A 14 -8.236 -0.350 8.869 1.00 65.41 C ATOM 193 OD1 ASP A 14 -7.955 -1.359 9.552 1.00 4.34 O ATOM 194 OD2 ASP A 14 -8.601 0.735 9.367 1.00 31.54 O ATOM 0 H ASP A 14 -6.783 1.296 6.253 1.00 72.12 H new ATOM 0 HA ASP A 14 -6.071 -0.932 7.762 1.00 42.04 H new ATOM 0 HB2 ASP A 14 -8.495 0.471 6.910 1.00 10.32 H new ATOM 0 HB3 ASP A 14 -8.764 -1.258 7.004 1.00 10.32 H new ATOM 199 N GLU A 15 -7.295 -1.734 4.786 1.00 64.13 N ATOM 200 CA GLU A 15 -7.335 -2.796 3.787 1.00 0.31 C ATOM 201 C GLU A 15 -5.925 -3.222 3.389 1.00 43.14 C ATOM 202 O GLU A 15 -5.647 -4.411 3.225 1.00 1.22 O ATOM 203 CB GLU A 15 -8.109 -2.334 2.550 1.00 4.41 C ATOM 204 CG GLU A 15 -9.255 -3.255 2.170 1.00 71.23 C ATOM 205 CD GLU A 15 -8.786 -4.500 1.441 1.00 41.31 C ATOM 206 OE1 GLU A 15 -8.131 -4.359 0.387 1.00 52.11 O ATOM 207 OE2 GLU A 15 -9.074 -5.614 1.925 1.00 14.21 O ATOM 0 H GLU A 15 -7.796 -0.886 4.521 1.00 64.13 H new ATOM 0 HA GLU A 15 -7.844 -3.654 4.226 1.00 0.31 H new ATOM 0 HB2 GLU A 15 -8.503 -1.334 2.731 1.00 4.41 H new ATOM 0 HB3 GLU A 15 -7.421 -2.258 1.708 1.00 4.41 H new ATOM 0 HG2 GLU A 15 -9.795 -3.548 3.071 1.00 71.23 H new ATOM 0 HG3 GLU A 15 -9.958 -2.712 1.539 1.00 71.23 H new ATOM 214 N LEU A 16 -5.040 -2.243 3.234 1.00 62.34 N ATOM 215 CA LEU A 16 -3.658 -2.516 2.854 1.00 23.21 C ATOM 216 C LEU A 16 -2.959 -3.362 3.913 1.00 31.23 C ATOM 217 O LEU A 16 -2.304 -4.354 3.595 1.00 71.02 O ATOM 218 CB LEU A 16 -2.897 -1.204 2.649 1.00 31.52 C ATOM 219 CG LEU A 16 -1.496 -1.329 2.049 1.00 30.11 C ATOM 220 CD1 LEU A 16 -0.493 -1.741 3.116 1.00 70.33 C ATOM 221 CD2 LEU A 16 -1.494 -2.325 0.900 1.00 62.35 C ATOM 0 H LEU A 16 -5.254 -1.254 3.365 1.00 62.34 H new ATOM 0 HA LEU A 16 -3.668 -3.074 1.918 1.00 23.21 H new ATOM 0 HB2 LEU A 16 -3.492 -0.559 2.002 1.00 31.52 H new ATOM 0 HB3 LEU A 16 -2.815 -0.700 3.612 1.00 31.52 H new ATOM 0 HG LEU A 16 -1.201 -0.355 1.659 1.00 30.11 H new ATOM 0 HD11 LEU A 16 0.498 -1.825 2.671 1.00 70.33 H new ATOM 0 HD12 LEU A 16 -0.473 -0.990 3.906 1.00 70.33 H new ATOM 0 HD13 LEU A 16 -0.784 -2.703 3.537 1.00 70.33 H new ATOM 0 HD21 LEU A 16 -0.489 -2.401 0.486 1.00 62.35 H new ATOM 0 HD22 LEU A 16 -1.810 -3.302 1.265 1.00 62.35 H new ATOM 0 HD23 LEU A 16 -2.182 -1.987 0.125 1.00 62.35 H new ATOM 233 N GLU A 17 -3.105 -2.963 5.173 1.00 25.14 N ATOM 234 CA GLU A 17 -2.487 -3.687 6.278 1.00 32.13 C ATOM 235 C GLU A 17 -3.206 -5.009 6.532 1.00 14.22 C ATOM 236 O GLU A 17 -2.729 -5.852 7.292 1.00 3.43 O ATOM 237 CB GLU A 17 -2.504 -2.832 7.549 1.00 63.33 C ATOM 238 CG GLU A 17 -1.188 -2.121 7.820 1.00 52.00 C ATOM 239 CD GLU A 17 -1.324 -1.019 8.852 1.00 0.35 C ATOM 240 OE1 GLU A 17 -2.312 -1.041 9.616 1.00 32.15 O ATOM 241 OE2 GLU A 17 -0.444 -0.134 8.896 1.00 72.53 O ATOM 0 H GLU A 17 -3.645 -2.144 5.453 1.00 25.14 H new ATOM 0 HA GLU A 17 -1.454 -3.902 6.006 1.00 32.13 H new ATOM 0 HB2 GLU A 17 -3.298 -2.090 7.468 1.00 63.33 H new ATOM 0 HB3 GLU A 17 -2.747 -3.467 8.401 1.00 63.33 H new ATOM 0 HG2 GLU A 17 -0.451 -2.847 8.164 1.00 52.00 H new ATOM 0 HG3 GLU A 17 -0.809 -1.698 6.890 1.00 52.00 H new ATOM 248 N ARG A 18 -4.358 -5.181 5.892 1.00 64.25 N ATOM 249 CA ARG A 18 -5.144 -6.399 6.048 1.00 32.21 C ATOM 250 C ARG A 18 -4.722 -7.454 5.030 1.00 71.22 C ATOM 251 O ARG A 18 -4.606 -8.636 5.358 1.00 44.10 O ATOM 252 CB ARG A 18 -6.635 -6.092 5.893 1.00 71.33 C ATOM 253 CG ARG A 18 -7.351 -5.865 7.214 1.00 62.20 C ATOM 254 CD ARG A 18 -8.812 -5.505 7.001 1.00 71.03 C ATOM 255 NE ARG A 18 -9.685 -6.671 7.111 1.00 14.25 N ATOM 256 CZ ARG A 18 -10.036 -7.219 8.269 1.00 11.10 C ATOM 257 NH1 ARG A 18 -9.592 -6.710 9.409 1.00 1.34 N ATOM 258 NH2 ARG A 18 -10.834 -8.279 8.288 1.00 33.22 N ATOM 0 H ARG A 18 -4.768 -4.492 5.261 1.00 64.25 H new ATOM 0 HA ARG A 18 -4.963 -6.793 7.048 1.00 32.21 H new ATOM 0 HB2 ARG A 18 -6.752 -5.206 5.269 1.00 71.33 H new ATOM 0 HB3 ARG A 18 -7.114 -6.917 5.367 1.00 71.33 H new ATOM 0 HG2 ARG A 18 -7.282 -6.765 7.826 1.00 62.20 H new ATOM 0 HG3 ARG A 18 -6.855 -5.066 7.765 1.00 62.20 H new ATOM 0 HD2 ARG A 18 -9.112 -4.757 7.735 1.00 71.03 H new ATOM 0 HD3 ARG A 18 -8.934 -5.052 6.017 1.00 71.03 H new ATOM 0 HE ARG A 18 -10.045 -7.087 6.252 1.00 14.25 H new ATOM 0 HH11 ARG A 18 -8.979 -5.895 9.399 1.00 1.34 H new ATOM 0 HH12 ARG A 18 -9.863 -7.133 10.296 1.00 1.34 H new ATOM 0 HH21 ARG A 18 -11.178 -8.674 7.413 1.00 33.22 H new ATOM 0 HH22 ARG A 18 -11.103 -8.699 9.178 1.00 33.22 H new ATOM 272 N ILE A 19 -4.494 -7.019 3.795 1.00 71.21 N ATOM 273 CA ILE A 19 -4.084 -7.927 2.730 1.00 54.51 C ATOM 274 C ILE A 19 -2.890 -8.772 3.157 1.00 51.20 C ATOM 275 O ILE A 19 -1.957 -8.273 3.786 1.00 63.21 O ATOM 276 CB ILE A 19 -3.723 -7.158 1.445 1.00 23.22 C ATOM 277 CG1 ILE A 19 -4.924 -6.346 0.956 1.00 44.21 C ATOM 278 CG2 ILE A 19 -3.254 -8.123 0.366 1.00 44.41 C ATOM 279 CD1 ILE A 19 -4.550 -4.985 0.410 1.00 22.52 C ATOM 0 H ILE A 19 -4.586 -6.045 3.507 1.00 71.21 H new ATOM 0 HA ILE A 19 -4.933 -8.580 2.527 1.00 54.51 H new ATOM 0 HB ILE A 19 -2.909 -6.468 1.668 1.00 23.22 H new ATOM 0 HG12 ILE A 19 -5.442 -6.910 0.181 1.00 44.21 H new ATOM 0 HG13 ILE A 19 -5.626 -6.218 1.780 1.00 44.21 H new ATOM 0 HG21 ILE A 19 -3.002 -7.566 -0.536 1.00 44.41 H new ATOM 0 HG22 ILE A 19 -2.374 -8.662 0.717 1.00 44.41 H new ATOM 0 HG23 ILE A 19 -4.049 -8.834 0.143 1.00 44.41 H new ATOM 0 HD11 ILE A 19 -5.450 -4.465 0.082 1.00 22.52 H new ATOM 0 HD12 ILE A 19 -4.058 -4.403 1.189 1.00 22.52 H new ATOM 0 HD13 ILE A 19 -3.872 -5.106 -0.435 1.00 22.52 H new ATOM 291 N ARG A 20 -2.925 -10.054 2.809 1.00 63.21 N ATOM 292 CA ARG A 20 -1.845 -10.969 3.156 1.00 63.45 C ATOM 293 C ARG A 20 -1.007 -11.312 1.927 1.00 73.43 C ATOM 294 O ARG A 20 -1.532 -11.434 0.819 1.00 32.42 O ATOM 295 CB ARG A 20 -2.410 -12.249 3.774 1.00 31.00 C ATOM 296 CG ARG A 20 -2.974 -12.053 5.172 1.00 12.01 C ATOM 297 CD ARG A 20 -4.441 -12.450 5.242 1.00 64.15 C ATOM 298 NE ARG A 20 -4.609 -13.867 5.552 1.00 14.23 N ATOM 299 CZ ARG A 20 -5.743 -14.389 6.005 1.00 74.50 C ATOM 300 NH1 ARG A 20 -6.804 -13.616 6.198 1.00 22.25 N ATOM 301 NH2 ARG A 20 -5.819 -15.688 6.265 1.00 34.43 N ATOM 0 H ARG A 20 -3.690 -10.482 2.287 1.00 63.21 H new ATOM 0 HA ARG A 20 -1.204 -10.474 3.886 1.00 63.45 H new ATOM 0 HB2 ARG A 20 -3.195 -12.639 3.126 1.00 31.00 H new ATOM 0 HB3 ARG A 20 -1.623 -13.002 3.811 1.00 31.00 H new ATOM 0 HG2 ARG A 20 -2.401 -12.647 5.883 1.00 12.01 H new ATOM 0 HG3 ARG A 20 -2.864 -11.009 5.467 1.00 12.01 H new ATOM 0 HD2 ARG A 20 -4.943 -11.851 6.001 1.00 64.15 H new ATOM 0 HD3 ARG A 20 -4.923 -12.227 4.290 1.00 64.15 H new ATOM 0 HE ARG A 20 -3.813 -14.489 5.413 1.00 14.23 H new ATOM 0 HH11 ARG A 20 -6.750 -12.617 5.998 1.00 22.25 H new ATOM 0 HH12 ARG A 20 -7.673 -14.021 6.546 1.00 22.25 H new ATOM 0 HH21 ARG A 20 -5.006 -16.286 6.117 1.00 34.43 H new ATOM 0 HH22 ARG A 20 -6.690 -16.088 6.613 1.00 34.43 H new ATOM 315 N LEU A 21 0.296 -11.466 2.130 1.00 44.02 N ATOM 316 CA LEU A 21 1.207 -11.794 1.039 1.00 63.42 C ATOM 317 C LEU A 21 0.815 -13.114 0.380 1.00 13.12 C ATOM 318 O LEU A 21 1.139 -13.359 -0.782 1.00 15.30 O ATOM 319 CB LEU A 21 2.645 -11.877 1.556 1.00 73.21 C ATOM 320 CG LEU A 21 3.224 -10.587 2.138 1.00 64.33 C ATOM 321 CD1 LEU A 21 4.413 -10.894 3.035 1.00 5.22 C ATOM 322 CD2 LEU A 21 3.627 -9.634 1.022 1.00 12.52 C ATOM 0 H LEU A 21 0.746 -11.369 3.040 1.00 44.02 H new ATOM 0 HA LEU A 21 1.140 -11.002 0.293 1.00 63.42 H new ATOM 0 HB2 LEU A 21 2.690 -12.650 2.323 1.00 73.21 H new ATOM 0 HB3 LEU A 21 3.286 -12.202 0.737 1.00 73.21 H new ATOM 0 HG LEU A 21 2.455 -10.104 2.741 1.00 64.33 H new ATOM 0 HD11 LEU A 21 4.812 -9.964 3.440 1.00 5.22 H new ATOM 0 HD12 LEU A 21 4.094 -11.540 3.853 1.00 5.22 H new ATOM 0 HD13 LEU A 21 5.186 -11.398 2.455 1.00 5.22 H new ATOM 0 HD21 LEU A 21 4.037 -8.721 1.454 1.00 12.52 H new ATOM 0 HD22 LEU A 21 4.380 -10.108 0.393 1.00 12.52 H new ATOM 0 HD23 LEU A 21 2.753 -9.389 0.419 1.00 12.52 H new ATOM 334 N ARG A 22 0.115 -13.958 1.131 1.00 72.35 N ATOM 335 CA ARG A 22 -0.324 -15.251 0.620 1.00 62.25 C ATOM 336 C ARG A 22 -1.779 -15.518 0.991 1.00 64.32 C ATOM 337 O ARG A 22 -2.332 -14.914 1.909 1.00 23.04 O ATOM 338 CB ARG A 22 0.567 -16.368 1.166 1.00 4.44 C ATOM 339 CG ARG A 22 1.583 -16.886 0.161 1.00 44.41 C ATOM 340 CD ARG A 22 2.071 -18.278 0.528 1.00 10.20 C ATOM 341 NE ARG A 22 2.401 -19.071 -0.652 1.00 44.33 N ATOM 342 CZ ARG A 22 2.550 -20.391 -0.633 1.00 62.42 C ATOM 343 NH1 ARG A 22 2.397 -21.062 0.500 1.00 43.14 N ATOM 344 NH2 ARG A 22 2.851 -21.042 -1.749 1.00 51.12 N ATOM 0 H ARG A 22 -0.160 -13.770 2.095 1.00 72.35 H new ATOM 0 HA ARG A 22 -0.243 -15.230 -0.467 1.00 62.25 H new ATOM 0 HB2 ARG A 22 1.095 -16.002 2.047 1.00 4.44 H new ATOM 0 HB3 ARG A 22 -0.062 -17.196 1.493 1.00 4.44 H new ATOM 0 HG2 ARG A 22 1.135 -16.907 -0.833 1.00 44.41 H new ATOM 0 HG3 ARG A 22 2.431 -16.203 0.114 1.00 44.41 H new ATOM 0 HD2 ARG A 22 2.950 -18.197 1.168 1.00 10.20 H new ATOM 0 HD3 ARG A 22 1.302 -18.791 1.106 1.00 10.20 H new ATOM 0 HE ARG A 22 2.524 -18.585 -1.540 1.00 44.33 H new ATOM 0 HH11 ARG A 22 2.164 -20.565 1.360 1.00 43.14 H new ATOM 0 HH12 ARG A 22 2.512 -22.075 0.512 1.00 43.14 H new ATOM 0 HH21 ARG A 22 2.968 -20.529 -2.623 1.00 51.12 H new ATOM 0 HH22 ARG A 22 2.965 -22.055 -1.733 1.00 51.12 H new ATOM 358 N PRO A 23 -2.416 -16.446 0.260 1.00 22.23 N ATOM 359 CA PRO A 23 -3.815 -16.814 0.495 1.00 31.50 C ATOM 360 C PRO A 23 -4.003 -17.574 1.804 1.00 72.43 C ATOM 361 O PRO A 23 -5.034 -17.452 2.462 1.00 55.20 O ATOM 362 CB PRO A 23 -4.150 -17.713 -0.698 1.00 30.01 C ATOM 363 CG PRO A 23 -2.839 -18.275 -1.129 1.00 71.20 C ATOM 364 CD PRO A 23 -1.819 -17.207 -0.850 1.00 41.02 C ATOM 0 HA PRO A 23 -4.458 -15.938 0.580 1.00 31.50 H new ATOM 0 HB2 PRO A 23 -4.846 -18.503 -0.415 1.00 30.01 H new ATOM 0 HB3 PRO A 23 -4.621 -17.146 -1.501 1.00 30.01 H new ATOM 0 HG2 PRO A 23 -2.607 -19.189 -0.582 1.00 71.20 H new ATOM 0 HG3 PRO A 23 -2.854 -18.533 -2.188 1.00 71.20 H new ATOM 0 HD2 PRO A 23 -0.856 -17.634 -0.572 1.00 41.02 H new ATOM 0 HD3 PRO A 23 -1.648 -16.577 -1.723 1.00 41.02 H new ATOM 372 N GLY A 24 -2.998 -18.361 2.176 1.00 62.14 N ATOM 373 CA GLY A 24 -3.072 -19.130 3.405 1.00 40.14 C ATOM 374 C GLY A 24 -2.018 -18.715 4.412 1.00 52.30 C ATOM 375 O GLY A 24 -1.734 -19.445 5.361 1.00 74.54 O ATOM 0 H GLY A 24 -2.133 -18.480 1.648 1.00 62.14 H new ATOM 0 HA2 GLY A 24 -4.061 -19.008 3.847 1.00 40.14 H new ATOM 0 HA3 GLY A 24 -2.954 -20.189 3.175 1.00 40.14 H new ATOM 379 N GLY A 25 -1.436 -17.538 4.206 1.00 2.02 N ATOM 380 CA GLY A 25 -0.413 -17.048 5.112 1.00 22.31 C ATOM 381 C GLY A 25 -0.971 -16.118 6.170 1.00 51.32 C ATOM 382 O GLY A 25 -2.174 -15.854 6.203 1.00 41.53 O ATOM 0 H GLY A 25 -1.654 -16.915 3.428 1.00 2.02 H new ATOM 0 HA2 GLY A 25 0.074 -17.894 5.597 1.00 22.31 H new ATOM 0 HA3 GLY A 25 0.353 -16.524 4.540 1.00 22.31 H new ATOM 386 N LYS A 26 -0.098 -15.620 7.039 1.00 72.21 N ATOM 387 CA LYS A 26 -0.510 -14.713 8.104 1.00 74.03 C ATOM 388 C LYS A 26 0.197 -13.368 7.977 1.00 31.30 C ATOM 389 O LYS A 26 -0.142 -12.409 8.672 1.00 51.25 O ATOM 390 CB LYS A 26 -0.211 -15.332 9.472 1.00 74.11 C ATOM 391 CG LYS A 26 -1.300 -16.269 9.967 1.00 50.33 C ATOM 392 CD LYS A 26 -1.685 -15.967 11.405 1.00 30.00 C ATOM 393 CE LYS A 26 -2.154 -17.219 12.131 1.00 21.21 C ATOM 394 NZ LYS A 26 -2.337 -16.979 13.589 1.00 5.01 N ATOM 0 H LYS A 26 0.900 -15.829 7.027 1.00 72.21 H new ATOM 0 HA LYS A 26 -1.584 -14.549 8.013 1.00 74.03 H new ATOM 0 HB2 LYS A 26 0.730 -15.879 9.416 1.00 74.11 H new ATOM 0 HB3 LYS A 26 -0.072 -14.533 10.200 1.00 74.11 H new ATOM 0 HG2 LYS A 26 -2.178 -16.178 9.328 1.00 50.33 H new ATOM 0 HG3 LYS A 26 -0.956 -17.300 9.891 1.00 50.33 H new ATOM 0 HD2 LYS A 26 -0.830 -15.540 11.929 1.00 30.00 H new ATOM 0 HD3 LYS A 26 -2.476 -15.218 11.421 1.00 30.00 H new ATOM 0 HE2 LYS A 26 -3.095 -17.559 11.698 1.00 21.21 H new ATOM 0 HE3 LYS A 26 -1.428 -18.018 11.983 1.00 21.21 H new ATOM 0 HZ1 LYS A 26 -2.657 -17.856 14.048 1.00 5.01 H new ATOM 0 HZ2 LYS A 26 -1.433 -16.679 14.008 1.00 5.01 H new ATOM 0 HZ3 LYS A 26 -3.049 -16.234 13.732 1.00 5.01 H new ATOM 408 N LYS A 27 1.180 -13.303 7.086 1.00 3.33 N ATOM 409 CA LYS A 27 1.933 -12.074 6.866 1.00 23.32 C ATOM 410 C LYS A 27 1.105 -11.061 6.083 1.00 33.31 C ATOM 411 O LYS A 27 0.575 -11.368 5.015 1.00 61.55 O ATOM 412 CB LYS A 27 3.232 -12.377 6.114 1.00 5.54 C ATOM 413 CG LYS A 27 4.200 -13.246 6.898 1.00 50.10 C ATOM 414 CD LYS A 27 5.633 -13.041 6.436 1.00 22.23 C ATOM 415 CE LYS A 27 6.265 -14.349 5.984 1.00 62.12 C ATOM 416 NZ LYS A 27 7.724 -14.389 6.277 1.00 62.33 N ATOM 0 H LYS A 27 1.474 -14.087 6.504 1.00 3.33 H new ATOM 0 HA LYS A 27 2.174 -11.645 7.839 1.00 23.32 H new ATOM 0 HB2 LYS A 27 2.991 -12.873 5.174 1.00 5.54 H new ATOM 0 HB3 LYS A 27 3.723 -11.437 5.861 1.00 5.54 H new ATOM 0 HG2 LYS A 27 4.122 -13.012 7.960 1.00 50.10 H new ATOM 0 HG3 LYS A 27 3.926 -14.294 6.781 1.00 50.10 H new ATOM 0 HD2 LYS A 27 5.653 -12.323 5.616 1.00 22.23 H new ATOM 0 HD3 LYS A 27 6.221 -12.613 7.248 1.00 22.23 H new ATOM 0 HE2 LYS A 27 5.771 -15.183 6.483 1.00 62.12 H new ATOM 0 HE3 LYS A 27 6.106 -14.479 4.914 1.00 62.12 H new ATOM 0 HZ1 LYS A 27 8.118 -15.296 5.954 1.00 62.33 H new ATOM 0 HZ2 LYS A 27 8.199 -13.609 5.780 1.00 62.33 H new ATOM 0 HZ3 LYS A 27 7.875 -14.291 7.301 1.00 62.33 H new ATOM 430 N LYS A 28 0.997 -9.851 6.620 1.00 44.52 N ATOM 431 CA LYS A 28 0.236 -8.790 5.970 1.00 13.20 C ATOM 432 C LYS A 28 1.165 -7.726 5.396 1.00 65.05 C ATOM 433 O LYS A 28 2.273 -7.520 5.894 1.00 64.35 O ATOM 434 CB LYS A 28 -0.736 -8.150 6.965 1.00 64.30 C ATOM 435 CG LYS A 28 -1.514 -9.160 7.790 1.00 51.14 C ATOM 436 CD LYS A 28 -2.356 -8.478 8.855 1.00 35.21 C ATOM 437 CE LYS A 28 -2.352 -9.266 10.157 1.00 40.54 C ATOM 438 NZ LYS A 28 -2.390 -8.372 11.346 1.00 15.42 N ATOM 0 H LYS A 28 1.427 -9.580 7.504 1.00 44.52 H new ATOM 0 HA LYS A 28 -0.330 -9.233 5.150 1.00 13.20 H new ATOM 0 HB2 LYS A 28 -0.178 -7.497 7.637 1.00 64.30 H new ATOM 0 HB3 LYS A 28 -1.439 -7.520 6.420 1.00 64.30 H new ATOM 0 HG2 LYS A 28 -2.159 -9.747 7.136 1.00 51.14 H new ATOM 0 HG3 LYS A 28 -0.821 -9.856 8.263 1.00 51.14 H new ATOM 0 HD2 LYS A 28 -1.973 -7.473 9.035 1.00 35.21 H new ATOM 0 HD3 LYS A 28 -3.380 -8.370 8.497 1.00 35.21 H new ATOM 0 HE2 LYS A 28 -3.212 -9.936 10.179 1.00 40.54 H new ATOM 0 HE3 LYS A 28 -1.460 -9.891 10.201 1.00 40.54 H new ATOM 0 HZ1 LYS A 28 -2.386 -8.947 12.213 1.00 15.42 H new ATOM 0 HZ2 LYS A 28 -1.557 -7.750 11.339 1.00 15.42 H new ATOM 0 HZ3 LYS A 28 -3.254 -7.794 11.318 1.00 15.42 H new ATOM 452 N TYR A 29 0.708 -7.051 4.347 1.00 44.25 N ATOM 453 CA TYR A 29 1.500 -6.009 3.704 1.00 60.21 C ATOM 454 C TYR A 29 1.740 -4.841 4.657 1.00 34.21 C ATOM 455 O TYR A 29 0.870 -4.485 5.451 1.00 31.21 O ATOM 456 CB TYR A 29 0.797 -5.513 2.439 1.00 5.31 C ATOM 457 CG TYR A 29 1.105 -6.341 1.211 1.00 13.25 C ATOM 458 CD1 TYR A 29 2.348 -6.267 0.593 1.00 14.23 C ATOM 459 CD2 TYR A 29 0.154 -7.195 0.669 1.00 21.42 C ATOM 460 CE1 TYR A 29 2.633 -7.020 -0.528 1.00 72.40 C ATOM 461 CE2 TYR A 29 0.431 -7.954 -0.451 1.00 74.45 C ATOM 462 CZ TYR A 29 1.672 -7.863 -1.046 1.00 74.04 C ATOM 463 OH TYR A 29 1.952 -8.616 -2.164 1.00 54.34 O ATOM 0 H TYR A 29 -0.207 -7.207 3.924 1.00 44.25 H new ATOM 0 HA TYR A 29 2.465 -6.437 3.432 1.00 60.21 H new ATOM 0 HB2 TYR A 29 -0.280 -5.515 2.607 1.00 5.31 H new ATOM 0 HB3 TYR A 29 1.089 -4.479 2.253 1.00 5.31 H new ATOM 0 HD1 TYR A 29 3.103 -5.609 0.997 1.00 14.23 H new ATOM 0 HD2 TYR A 29 -0.819 -7.267 1.131 1.00 21.42 H new ATOM 0 HE1 TYR A 29 3.603 -6.950 -0.997 1.00 72.40 H new ATOM 0 HE2 TYR A 29 -0.320 -8.615 -0.859 1.00 74.45 H new ATOM 0 HH TYR A 29 2.910 -8.823 -2.187 1.00 54.34 H new ATOM 473 N ARG A 30 2.928 -4.251 4.571 1.00 14.10 N ATOM 474 CA ARG A 30 3.284 -3.124 5.425 1.00 34.40 C ATOM 475 C ARG A 30 4.302 -2.220 4.736 1.00 74.32 C ATOM 476 O ARG A 30 4.845 -2.567 3.686 1.00 3.31 O ATOM 477 CB ARG A 30 3.848 -3.624 6.756 1.00 32.31 C ATOM 478 CG ARG A 30 3.090 -3.113 7.970 1.00 54.42 C ATOM 479 CD ARG A 30 3.226 -4.059 9.151 1.00 32.10 C ATOM 480 NE ARG A 30 2.370 -3.667 10.268 1.00 21.45 N ATOM 481 CZ ARG A 30 2.623 -2.629 11.057 1.00 12.25 C ATOM 482 NH1 ARG A 30 3.699 -1.882 10.853 1.00 71.22 N ATOM 483 NH2 ARG A 30 1.796 -2.336 12.053 1.00 12.25 N ATOM 0 H ARG A 30 3.660 -4.534 3.919 1.00 14.10 H new ATOM 0 HA ARG A 30 2.380 -2.545 5.616 1.00 34.40 H new ATOM 0 HB2 ARG A 30 3.832 -4.714 6.761 1.00 32.31 H new ATOM 0 HB3 ARG A 30 4.892 -3.320 6.836 1.00 32.31 H new ATOM 0 HG2 ARG A 30 3.466 -2.128 8.247 1.00 54.42 H new ATOM 0 HG3 ARG A 30 2.036 -2.993 7.718 1.00 54.42 H new ATOM 0 HD2 ARG A 30 2.970 -5.071 8.836 1.00 32.10 H new ATOM 0 HD3 ARG A 30 4.265 -4.080 9.481 1.00 32.10 H new ATOM 0 HE ARG A 30 1.533 -4.220 10.452 1.00 21.45 H new ATOM 0 HH11 ARG A 30 4.336 -2.104 10.088 1.00 71.22 H new ATOM 0 HH12 ARG A 30 3.890 -1.086 11.461 1.00 71.22 H new ATOM 0 HH21 ARG A 30 0.967 -2.908 12.212 1.00 12.25 H new ATOM 0 HH22 ARG A 30 1.990 -1.539 12.659 1.00 12.25 H new ATOM 497 N LEU A 31 4.554 -1.060 5.332 1.00 62.23 N ATOM 498 CA LEU A 31 5.507 -0.106 4.776 1.00 41.51 C ATOM 499 C LEU A 31 6.832 -0.786 4.448 1.00 64.35 C ATOM 500 O LEU A 31 7.522 -0.404 3.503 1.00 51.41 O ATOM 501 CB LEU A 31 5.740 1.043 5.759 1.00 44.33 C ATOM 502 CG LEU A 31 4.598 2.051 5.896 1.00 42.40 C ATOM 503 CD1 LEU A 31 4.543 2.605 7.311 1.00 72.40 C ATOM 504 CD2 LEU A 31 4.758 3.178 4.886 1.00 11.43 C ATOM 0 H LEU A 31 4.112 -0.757 6.200 1.00 62.23 H new ATOM 0 HA LEU A 31 5.087 0.293 3.853 1.00 41.51 H new ATOM 0 HB2 LEU A 31 5.943 0.618 6.742 1.00 44.33 H new ATOM 0 HB3 LEU A 31 6.637 1.580 5.453 1.00 44.33 H new ATOM 0 HG LEU A 31 3.658 1.537 5.692 1.00 42.40 H new ATOM 0 HD11 LEU A 31 3.725 3.321 7.390 1.00 72.40 H new ATOM 0 HD12 LEU A 31 4.381 1.789 8.015 1.00 72.40 H new ATOM 0 HD13 LEU A 31 5.484 3.103 7.544 1.00 72.40 H new ATOM 0 HD21 LEU A 31 3.937 3.886 4.998 1.00 11.43 H new ATOM 0 HD22 LEU A 31 5.705 3.690 5.059 1.00 11.43 H new ATOM 0 HD23 LEU A 31 4.747 2.766 3.877 1.00 11.43 H new ATOM 516 N LYS A 32 7.180 -1.799 5.234 1.00 65.20 N ATOM 517 CA LYS A 32 8.421 -2.537 5.026 1.00 33.44 C ATOM 518 C LYS A 32 8.508 -3.063 3.597 1.00 45.25 C ATOM 519 O LYS A 32 9.571 -3.025 2.975 1.00 20.42 O ATOM 520 CB LYS A 32 8.519 -3.701 6.016 1.00 74.42 C ATOM 521 CG LYS A 32 9.760 -3.655 6.888 1.00 24.13 C ATOM 522 CD LYS A 32 10.191 -5.048 7.318 1.00 1.53 C ATOM 523 CE LYS A 32 10.840 -5.031 8.694 1.00 11.30 C ATOM 524 NZ LYS A 32 11.463 -6.340 9.030 1.00 74.41 N ATOM 0 H LYS A 32 6.621 -2.128 6.021 1.00 65.20 H new ATOM 0 HA LYS A 32 9.253 -1.854 5.195 1.00 33.44 H new ATOM 0 HB2 LYS A 32 7.636 -3.699 6.655 1.00 74.42 H new ATOM 0 HB3 LYS A 32 8.509 -4.640 5.462 1.00 74.42 H new ATOM 0 HG2 LYS A 32 10.572 -3.174 6.342 1.00 24.13 H new ATOM 0 HG3 LYS A 32 9.564 -3.045 7.770 1.00 24.13 H new ATOM 0 HD2 LYS A 32 9.325 -5.710 7.331 1.00 1.53 H new ATOM 0 HD3 LYS A 32 10.892 -5.454 6.589 1.00 1.53 H new ATOM 0 HE2 LYS A 32 11.598 -4.249 8.728 1.00 11.30 H new ATOM 0 HE3 LYS A 32 10.091 -4.782 9.446 1.00 11.30 H new ATOM 0 HZ1 LYS A 32 11.894 -6.287 9.975 1.00 74.41 H new ATOM 0 HZ2 LYS A 32 10.735 -7.083 9.023 1.00 74.41 H new ATOM 0 HZ3 LYS A 32 12.196 -6.566 8.327 1.00 74.41 H new ATOM 538 N HIS A 33 7.386 -3.553 3.081 1.00 11.31 N ATOM 539 CA HIS A 33 7.335 -4.085 1.724 1.00 44.32 C ATOM 540 C HIS A 33 7.388 -2.956 0.697 1.00 61.51 C ATOM 541 O HIS A 33 7.966 -3.186 -0.366 1.00 30.22 O ATOM 542 CB HIS A 33 6.064 -4.912 1.523 1.00 22.13 C ATOM 543 CG HIS A 33 5.914 -6.026 2.513 1.00 12.32 C ATOM 544 ND1 HIS A 33 4.924 -6.052 3.473 1.00 22.05 N ATOM 545 CD2 HIS A 33 6.635 -7.159 2.689 1.00 43.45 C ATOM 546 CE1 HIS A 33 5.043 -7.151 4.196 1.00 62.14 C ATOM 547 NE2 HIS A 33 6.073 -7.841 3.739 1.00 44.24 N ATOM 0 H HIS A 33 6.499 -3.593 3.583 1.00 11.31 H new ATOM 0 HA HIS A 33 8.203 -4.728 1.580 1.00 44.32 H new ATOM 0 HB2 HIS A 33 5.197 -4.255 1.593 1.00 22.13 H new ATOM 0 HB3 HIS A 33 6.067 -5.329 0.516 1.00 22.13 H new ATOM 0 HD2 HIS A 33 7.493 -7.468 2.110 1.00 43.45 H new ATOM 0 HE1 HIS A 33 4.407 -7.437 5.020 1.00 62.14 H new ATOM 0 HE2 HIS A 33 6.398 -8.735 4.107 1.00 44.24 H new ATOM 555 N ILE A 34 6.820 -1.788 0.975 1.00 3.41 N ATOM 556 CA ILE A 34 6.847 -0.681 0.026 1.00 20.12 C ATOM 557 C ILE A 34 8.266 -0.159 -0.171 1.00 31.32 C ATOM 558 O ILE A 34 8.652 0.218 -1.277 1.00 23.02 O ATOM 559 CB ILE A 34 5.945 0.478 0.488 1.00 74.32 C ATOM 560 CG1 ILE A 34 4.568 -0.050 0.897 1.00 11.05 C ATOM 561 CG2 ILE A 34 5.813 1.519 -0.615 1.00 22.45 C ATOM 562 CD1 ILE A 34 3.602 1.038 1.312 1.00 41.01 C ATOM 0 H ILE A 34 6.336 -1.583 1.849 1.00 3.41 H new ATOM 0 HA ILE A 34 6.471 -1.068 -0.921 1.00 20.12 H new ATOM 0 HB ILE A 34 6.404 0.952 1.356 1.00 74.32 H new ATOM 0 HG12 ILE A 34 4.139 -0.607 0.064 1.00 11.05 H new ATOM 0 HG13 ILE A 34 4.688 -0.752 1.722 1.00 11.05 H new ATOM 0 HG21 ILE A 34 5.172 2.332 -0.273 1.00 22.45 H new ATOM 0 HG22 ILE A 34 6.798 1.913 -0.863 1.00 22.45 H new ATOM 0 HG23 ILE A 34 5.373 1.058 -1.500 1.00 22.45 H new ATOM 0 HD11 ILE A 34 2.647 0.591 1.588 1.00 41.01 H new ATOM 0 HD12 ILE A 34 4.009 1.580 2.165 1.00 41.01 H new ATOM 0 HD13 ILE A 34 3.453 1.728 0.482 1.00 41.01 H new ATOM 574 N VAL A 35 9.039 -0.141 0.910 1.00 20.45 N ATOM 575 CA VAL A 35 10.418 0.331 0.857 1.00 55.32 C ATOM 576 C VAL A 35 11.293 -0.620 0.048 1.00 50.31 C ATOM 577 O VAL A 35 12.135 -0.186 -0.739 1.00 73.22 O ATOM 578 CB VAL A 35 11.013 0.485 2.269 1.00 42.11 C ATOM 579 CG1 VAL A 35 12.462 0.940 2.190 1.00 22.33 C ATOM 580 CG2 VAL A 35 10.184 1.459 3.093 1.00 2.11 C ATOM 0 H VAL A 35 8.734 -0.448 1.834 1.00 20.45 H new ATOM 0 HA VAL A 35 10.401 1.306 0.371 1.00 55.32 H new ATOM 0 HB VAL A 35 10.988 -0.486 2.763 1.00 42.11 H new ATOM 0 HG11 VAL A 35 12.866 1.044 3.197 1.00 22.33 H new ATOM 0 HG12 VAL A 35 13.045 0.202 1.639 1.00 22.33 H new ATOM 0 HG13 VAL A 35 12.514 1.901 1.677 1.00 22.33 H new ATOM 0 HG21 VAL A 35 10.619 1.556 4.088 1.00 2.11 H new ATOM 0 HG22 VAL A 35 10.175 2.433 2.604 1.00 2.11 H new ATOM 0 HG23 VAL A 35 9.163 1.087 3.178 1.00 2.11 H new ATOM 590 N TRP A 36 11.090 -1.916 0.249 1.00 63.25 N ATOM 591 CA TRP A 36 11.862 -2.929 -0.463 1.00 20.11 C ATOM 592 C TRP A 36 11.476 -2.972 -1.937 1.00 43.33 C ATOM 593 O TRP A 36 12.271 -3.378 -2.785 1.00 33.04 O ATOM 594 CB TRP A 36 11.646 -4.304 0.172 1.00 1.34 C ATOM 595 CG TRP A 36 12.369 -5.407 -0.539 1.00 61.33 C ATOM 596 CD1 TRP A 36 13.553 -5.980 -0.174 1.00 65.50 C ATOM 597 CD2 TRP A 36 11.954 -6.069 -1.740 1.00 10.24 C ATOM 598 NE1 TRP A 36 13.900 -6.958 -1.075 1.00 33.53 N ATOM 599 CE2 TRP A 36 12.934 -7.032 -2.044 1.00 63.51 C ATOM 600 CE3 TRP A 36 10.848 -5.942 -2.585 1.00 43.11 C ATOM 601 CZ2 TRP A 36 12.842 -7.863 -3.158 1.00 53.44 C ATOM 602 CZ3 TRP A 36 10.758 -6.766 -3.690 1.00 51.24 C ATOM 603 CH2 TRP A 36 11.749 -7.717 -3.969 1.00 14.24 C ATOM 0 H TRP A 36 10.398 -2.291 0.898 1.00 63.25 H new ATOM 0 HA TRP A 36 12.917 -2.663 -0.390 1.00 20.11 H new ATOM 0 HB2 TRP A 36 11.977 -4.273 1.210 1.00 1.34 H new ATOM 0 HB3 TRP A 36 10.579 -4.527 0.184 1.00 1.34 H new ATOM 0 HD1 TRP A 36 14.132 -5.705 0.695 1.00 65.50 H new ATOM 0 HE1 TRP A 36 14.740 -7.535 -1.030 1.00 33.53 H new ATOM 0 HE3 TRP A 36 10.078 -5.213 -2.378 1.00 43.11 H new ATOM 0 HZ2 TRP A 36 13.605 -8.596 -3.374 1.00 53.44 H new ATOM 0 HZ3 TRP A 36 9.909 -6.676 -4.351 1.00 51.24 H new ATOM 0 HH2 TRP A 36 11.648 -8.347 -4.841 1.00 14.24 H new ATOM 614 N ALA A 37 10.252 -2.548 -2.237 1.00 64.30 N ATOM 615 CA ALA A 37 9.763 -2.536 -3.610 1.00 64.21 C ATOM 616 C ALA A 37 10.335 -1.355 -4.386 1.00 72.32 C ATOM 617 O ALA A 37 10.871 -1.521 -5.482 1.00 55.33 O ATOM 618 CB ALA A 37 8.242 -2.496 -3.628 1.00 40.22 C ATOM 0 H ALA A 37 9.581 -2.208 -1.547 1.00 64.30 H new ATOM 0 HA ALA A 37 10.097 -3.452 -4.097 1.00 64.21 H new ATOM 0 HB1 ALA A 37 7.890 -2.487 -4.660 1.00 40.22 H new ATOM 0 HB2 ALA A 37 7.849 -3.375 -3.118 1.00 40.22 H new ATOM 0 HB3 ALA A 37 7.896 -1.596 -3.119 1.00 40.22 H new ATOM 624 N ALA A 38 10.217 -0.163 -3.811 1.00 3.15 N ATOM 625 CA ALA A 38 10.724 1.046 -4.449 1.00 23.14 C ATOM 626 C ALA A 38 12.232 0.964 -4.660 1.00 64.13 C ATOM 627 O ALA A 38 12.752 1.419 -5.679 1.00 74.01 O ATOM 628 CB ALA A 38 10.372 2.270 -3.616 1.00 33.02 C ATOM 0 H ALA A 38 9.775 -0.008 -2.905 1.00 3.15 H new ATOM 0 HA ALA A 38 10.251 1.137 -5.427 1.00 23.14 H new ATOM 0 HB1 ALA A 38 10.757 3.165 -4.104 1.00 33.02 H new ATOM 0 HB2 ALA A 38 9.289 2.346 -3.520 1.00 33.02 H new ATOM 0 HB3 ALA A 38 10.818 2.177 -2.626 1.00 33.02 H new ATOM 634 N ASN A 39 12.931 0.382 -3.690 1.00 52.24 N ATOM 635 CA ASN A 39 14.380 0.242 -3.771 1.00 24.13 C ATOM 636 C ASN A 39 14.778 -0.612 -4.971 1.00 43.21 C ATOM 637 O ASN A 39 15.842 -0.417 -5.559 1.00 64.15 O ATOM 638 CB ASN A 39 14.925 -0.380 -2.484 1.00 64.21 C ATOM 639 CG ASN A 39 16.341 -0.901 -2.648 1.00 14.32 C ATOM 640 OD1 ASN A 39 16.550 -2.047 -3.045 1.00 53.40 O ATOM 641 ND2 ASN A 39 17.320 -0.058 -2.341 1.00 55.23 N ATOM 0 H ASN A 39 12.517 0.000 -2.840 1.00 52.24 H new ATOM 0 HA ASN A 39 14.810 1.236 -3.897 1.00 24.13 H new ATOM 0 HB2 ASN A 39 14.904 0.364 -1.687 1.00 64.21 H new ATOM 0 HB3 ASN A 39 14.274 -1.197 -2.174 1.00 64.21 H new ATOM 0 HD21 ASN A 39 18.293 -0.352 -2.431 1.00 55.23 H new ATOM 0 HD22 ASN A 39 17.099 0.883 -2.016 1.00 55.23 H new ATOM 648 N LYS A 40 13.918 -1.559 -5.328 1.00 53.33 N ATOM 649 CA LYS A 40 14.176 -2.442 -6.458 1.00 65.31 C ATOM 650 C LYS A 40 14.073 -1.684 -7.777 1.00 54.41 C ATOM 651 O LYS A 40 14.876 -1.888 -8.688 1.00 41.12 O ATOM 652 CB LYS A 40 13.192 -3.614 -6.453 1.00 22.42 C ATOM 653 CG LYS A 40 13.547 -4.701 -5.452 1.00 74.13 C ATOM 654 CD LYS A 40 13.883 -6.009 -6.146 1.00 63.45 C ATOM 655 CE LYS A 40 15.351 -6.067 -6.545 1.00 10.33 C ATOM 656 NZ LYS A 40 15.691 -7.347 -7.225 1.00 61.51 N ATOM 0 H LYS A 40 13.034 -1.735 -4.850 1.00 53.33 H new ATOM 0 HA LYS A 40 15.191 -2.828 -6.359 1.00 65.31 H new ATOM 0 HB2 LYS A 40 12.193 -3.238 -6.230 1.00 22.42 H new ATOM 0 HB3 LYS A 40 13.153 -4.050 -7.451 1.00 22.42 H new ATOM 0 HG2 LYS A 40 14.396 -4.379 -4.850 1.00 74.13 H new ATOM 0 HG3 LYS A 40 12.712 -4.855 -4.769 1.00 74.13 H new ATOM 0 HD2 LYS A 40 13.651 -6.843 -5.484 1.00 63.45 H new ATOM 0 HD3 LYS A 40 13.259 -6.123 -7.032 1.00 63.45 H new ATOM 0 HE2 LYS A 40 15.581 -5.232 -7.207 1.00 10.33 H new ATOM 0 HE3 LYS A 40 15.973 -5.951 -5.658 1.00 10.33 H new ATOM 0 HZ1 LYS A 40 16.623 -7.675 -6.901 1.00 61.51 H new ATOM 0 HZ2 LYS A 40 14.973 -8.063 -6.996 1.00 61.51 H new ATOM 0 HZ3 LYS A 40 15.715 -7.198 -8.254 1.00 61.51 H new ATOM 670 N LEU A 41 13.078 -0.807 -7.873 1.00 25.33 N ATOM 671 CA LEU A 41 12.870 -0.016 -9.081 1.00 24.53 C ATOM 672 C LEU A 41 14.075 0.876 -9.362 1.00 44.30 C ATOM 673 O LEU A 41 14.606 0.887 -10.473 1.00 73.05 O ATOM 674 CB LEU A 41 11.610 0.839 -8.943 1.00 73.11 C ATOM 675 CG LEU A 41 10.296 0.076 -8.775 1.00 32.35 C ATOM 676 CD1 LEU A 41 9.192 1.010 -8.304 1.00 1.42 C ATOM 677 CD2 LEU A 41 9.902 -0.603 -10.078 1.00 22.42 C ATOM 0 H LEU A 41 12.404 -0.626 -7.129 1.00 25.33 H new ATOM 0 HA LEU A 41 12.746 -0.703 -9.919 1.00 24.53 H new ATOM 0 HB2 LEU A 41 11.736 1.499 -8.085 1.00 73.11 H new ATOM 0 HB3 LEU A 41 11.528 1.474 -9.825 1.00 73.11 H new ATOM 0 HG LEU A 41 10.441 -0.694 -8.017 1.00 32.35 H new ATOM 0 HD11 LEU A 41 8.265 0.449 -8.190 1.00 1.42 H new ATOM 0 HD12 LEU A 41 9.471 1.449 -7.346 1.00 1.42 H new ATOM 0 HD13 LEU A 41 9.048 1.803 -9.038 1.00 1.42 H new ATOM 0 HD21 LEU A 41 8.964 -1.141 -9.939 1.00 22.42 H new ATOM 0 HD22 LEU A 41 9.777 0.149 -10.857 1.00 22.42 H new ATOM 0 HD23 LEU A 41 10.682 -1.304 -10.373 1.00 22.42 H new ATOM 689 N ASP A 42 14.503 1.621 -8.349 1.00 63.24 N ATOM 690 CA ASP A 42 15.649 2.514 -8.486 1.00 35.42 C ATOM 691 C ASP A 42 16.852 1.770 -9.059 1.00 75.00 C ATOM 692 O ASP A 42 17.457 2.210 -10.037 1.00 33.15 O ATOM 693 CB ASP A 42 16.009 3.126 -7.132 1.00 52.11 C ATOM 694 CG ASP A 42 17.361 3.811 -7.149 1.00 4.43 C ATOM 695 OD1 ASP A 42 17.457 4.922 -7.713 1.00 20.53 O ATOM 696 OD2 ASP A 42 18.325 3.237 -6.599 1.00 12.33 O ATOM 0 H ASP A 42 14.074 1.625 -7.424 1.00 63.24 H new ATOM 0 HA ASP A 42 15.377 3.313 -9.176 1.00 35.42 H new ATOM 0 HB2 ASP A 42 15.243 3.847 -6.847 1.00 52.11 H new ATOM 0 HB3 ASP A 42 16.010 2.345 -6.372 1.00 52.11 H new ATOM 701 N ARG A 43 17.192 0.642 -8.444 1.00 52.43 N ATOM 702 CA ARG A 43 18.323 -0.160 -8.891 1.00 31.42 C ATOM 703 C ARG A 43 18.069 -0.731 -10.283 1.00 35.54 C ATOM 704 O ARG A 43 18.896 -0.593 -11.184 1.00 30.01 O ATOM 705 CB ARG A 43 18.593 -1.297 -7.903 1.00 54.33 C ATOM 706 CG ARG A 43 19.924 -1.174 -7.181 1.00 63.05 C ATOM 707 CD ARG A 43 20.863 -2.313 -7.550 1.00 4.43 C ATOM 708 NE ARG A 43 21.079 -2.401 -8.992 1.00 13.25 N ATOM 709 CZ ARG A 43 21.990 -3.187 -9.552 1.00 22.55 C ATOM 710 NH1 ARG A 43 22.767 -3.951 -8.794 1.00 61.02 N ATOM 711 NH2 ARG A 43 22.127 -3.213 -10.871 1.00 13.21 N ATOM 0 H ARG A 43 16.700 0.263 -7.635 1.00 52.43 H new ATOM 0 HA ARG A 43 19.199 0.487 -8.937 1.00 31.42 H new ATOM 0 HB2 ARG A 43 17.791 -1.324 -7.166 1.00 54.33 H new ATOM 0 HB3 ARG A 43 18.566 -2.246 -8.438 1.00 54.33 H new ATOM 0 HG2 ARG A 43 20.389 -0.221 -7.432 1.00 63.05 H new ATOM 0 HG3 ARG A 43 19.757 -1.173 -6.104 1.00 63.05 H new ATOM 0 HD2 ARG A 43 21.820 -2.170 -7.048 1.00 4.43 H new ATOM 0 HD3 ARG A 43 20.450 -3.254 -7.187 1.00 4.43 H new ATOM 0 HE ARG A 43 20.498 -1.827 -9.602 1.00 13.25 H new ATOM 0 HH11 ARG A 43 22.664 -3.935 -7.779 1.00 61.02 H new ATOM 0 HH12 ARG A 43 23.467 -4.554 -9.226 1.00 61.02 H new ATOM 0 HH21 ARG A 43 21.532 -2.628 -11.457 1.00 13.21 H new ATOM 0 HH22 ARG A 43 22.828 -3.818 -11.299 1.00 13.21 H new ATOM 725 N PHE A 44 16.918 -1.375 -10.451 1.00 34.43 N ATOM 726 CA PHE A 44 16.555 -1.969 -11.732 1.00 54.11 C ATOM 727 C PHE A 44 16.706 -0.957 -12.864 1.00 25.22 C ATOM 728 O PHE A 44 17.288 -1.257 -13.906 1.00 21.24 O ATOM 729 CB PHE A 44 15.116 -2.489 -11.688 1.00 10.52 C ATOM 730 CG PHE A 44 15.014 -3.939 -11.312 1.00 75.24 C ATOM 731 CD1 PHE A 44 15.702 -4.905 -12.029 1.00 4.41 C ATOM 732 CD2 PHE A 44 14.230 -4.338 -10.241 1.00 74.14 C ATOM 733 CE1 PHE A 44 15.610 -6.240 -11.686 1.00 52.42 C ATOM 734 CE2 PHE A 44 14.133 -5.672 -9.894 1.00 3.22 C ATOM 735 CZ PHE A 44 14.825 -6.624 -10.616 1.00 62.11 C ATOM 0 H PHE A 44 16.221 -1.498 -9.716 1.00 34.43 H new ATOM 0 HA PHE A 44 17.231 -2.803 -11.921 1.00 54.11 H new ATOM 0 HB2 PHE A 44 14.545 -1.896 -10.974 1.00 10.52 H new ATOM 0 HB3 PHE A 44 14.655 -2.342 -12.665 1.00 10.52 H new ATOM 0 HD1 PHE A 44 16.318 -4.611 -12.866 1.00 4.41 H new ATOM 0 HD2 PHE A 44 13.689 -3.598 -9.671 1.00 74.14 H new ATOM 0 HE1 PHE A 44 16.151 -6.983 -12.254 1.00 52.42 H new ATOM 0 HE2 PHE A 44 13.516 -5.970 -9.059 1.00 3.22 H new ATOM 0 HZ PHE A 44 14.753 -7.667 -10.345 1.00 62.11 H new ATOM 745 N GLY A 45 16.178 0.245 -12.651 1.00 24.23 N ATOM 746 CA GLY A 45 16.264 1.283 -13.660 1.00 43.14 C ATOM 747 C GLY A 45 15.018 2.143 -13.715 1.00 51.53 C ATOM 748 O GLY A 45 14.991 3.166 -14.401 1.00 41.55 O ATOM 0 H GLY A 45 15.692 0.518 -11.797 1.00 24.23 H new ATOM 0 HA2 GLY A 45 17.129 1.914 -13.455 1.00 43.14 H new ATOM 0 HA3 GLY A 45 16.429 0.825 -14.635 1.00 43.14 H new ATOM 752 N LEU A 46 13.983 1.730 -12.992 1.00 64.55 N ATOM 753 CA LEU A 46 12.726 2.469 -12.963 1.00 5.22 C ATOM 754 C LEU A 46 12.725 3.496 -11.834 1.00 64.42 C ATOM 755 O LEU A 46 13.551 3.433 -10.924 1.00 62.43 O ATOM 756 CB LEU A 46 11.549 1.507 -12.794 1.00 12.51 C ATOM 757 CG LEU A 46 11.107 0.761 -14.053 1.00 40.43 C ATOM 758 CD1 LEU A 46 11.155 -0.742 -13.828 1.00 23.51 C ATOM 759 CD2 LEU A 46 9.708 1.196 -14.467 1.00 33.45 C ATOM 0 H LEU A 46 13.990 0.887 -12.418 1.00 64.55 H new ATOM 0 HA LEU A 46 12.621 2.997 -13.911 1.00 5.22 H new ATOM 0 HB2 LEU A 46 11.813 0.772 -12.034 1.00 12.51 H new ATOM 0 HB3 LEU A 46 10.698 2.070 -12.411 1.00 12.51 H new ATOM 0 HG LEU A 46 11.797 1.009 -14.860 1.00 40.43 H new ATOM 0 HD11 LEU A 46 10.837 -1.256 -14.735 1.00 23.51 H new ATOM 0 HD12 LEU A 46 12.174 -1.040 -13.580 1.00 23.51 H new ATOM 0 HD13 LEU A 46 10.489 -1.009 -13.007 1.00 23.51 H new ATOM 0 HD21 LEU A 46 9.410 0.655 -15.365 1.00 33.45 H new ATOM 0 HD22 LEU A 46 9.006 0.978 -13.662 1.00 33.45 H new ATOM 0 HD23 LEU A 46 9.705 2.267 -14.671 1.00 33.45 H new ATOM 771 N ALA A 47 11.791 4.438 -11.899 1.00 51.42 N ATOM 772 CA ALA A 47 11.679 5.475 -10.881 1.00 5.20 C ATOM 773 C ALA A 47 10.645 5.099 -9.826 1.00 33.13 C ATOM 774 O ALA A 47 9.806 4.227 -10.049 1.00 71.34 O ATOM 775 CB ALA A 47 11.322 6.808 -11.521 1.00 74.35 C ATOM 0 H ALA A 47 11.100 4.505 -12.646 1.00 51.42 H new ATOM 0 HA ALA A 47 12.646 5.570 -10.387 1.00 5.20 H new ATOM 0 HB1 ALA A 47 11.242 7.573 -10.748 1.00 74.35 H new ATOM 0 HB2 ALA A 47 12.099 7.090 -12.232 1.00 74.35 H new ATOM 0 HB3 ALA A 47 10.369 6.718 -12.042 1.00 74.35 H new ATOM 781 N GLU A 48 10.711 5.762 -8.676 1.00 21.15 N ATOM 782 CA GLU A 48 9.779 5.494 -7.585 1.00 43.11 C ATOM 783 C GLU A 48 8.495 6.301 -7.757 1.00 72.11 C ATOM 784 O GLU A 48 7.468 5.988 -7.155 1.00 4.14 O ATOM 785 CB GLU A 48 10.427 5.826 -6.240 1.00 31.44 C ATOM 786 CG GLU A 48 10.728 7.304 -6.056 1.00 15.24 C ATOM 787 CD GLU A 48 12.019 7.547 -5.300 1.00 1.13 C ATOM 788 OE1 GLU A 48 12.209 6.926 -4.233 1.00 1.33 O ATOM 789 OE2 GLU A 48 12.840 8.359 -5.776 1.00 24.30 O ATOM 0 H GLU A 48 11.399 6.488 -8.475 1.00 21.15 H new ATOM 0 HA GLU A 48 9.527 4.434 -7.607 1.00 43.11 H new ATOM 0 HB2 GLU A 48 9.767 5.496 -5.437 1.00 31.44 H new ATOM 0 HB3 GLU A 48 11.354 5.261 -6.144 1.00 31.44 H new ATOM 0 HG2 GLU A 48 10.788 7.783 -7.033 1.00 15.24 H new ATOM 0 HG3 GLU A 48 9.904 7.775 -5.520 1.00 15.24 H new ATOM 796 N SER A 49 8.562 7.340 -8.583 1.00 54.25 N ATOM 797 CA SER A 49 7.406 8.194 -8.832 1.00 5.42 C ATOM 798 C SER A 49 6.326 7.438 -9.600 1.00 25.01 C ATOM 799 O SER A 49 5.190 7.899 -9.713 1.00 44.54 O ATOM 800 CB SER A 49 7.826 9.441 -9.613 1.00 64.45 C ATOM 801 OG SER A 49 9.233 9.612 -9.584 1.00 10.14 O ATOM 0 H SER A 49 9.404 7.611 -9.091 1.00 54.25 H new ATOM 0 HA SER A 49 6.996 8.498 -7.869 1.00 5.42 H new ATOM 0 HB2 SER A 49 7.488 9.358 -10.646 1.00 64.45 H new ATOM 0 HB3 SER A 49 7.341 10.320 -9.189 1.00 64.45 H new ATOM 0 HG SER A 49 9.476 10.415 -10.092 1.00 10.14 H new ATOM 807 N LEU A 50 6.690 6.274 -10.126 1.00 53.03 N ATOM 808 CA LEU A 50 5.753 5.452 -10.884 1.00 24.42 C ATOM 809 C LEU A 50 4.920 4.577 -9.953 1.00 71.44 C ATOM 810 O LEU A 50 3.962 3.931 -10.382 1.00 42.44 O ATOM 811 CB LEU A 50 6.507 4.576 -11.886 1.00 44.31 C ATOM 812 CG LEU A 50 7.465 5.307 -12.827 1.00 62.15 C ATOM 813 CD1 LEU A 50 8.288 4.311 -13.630 1.00 42.34 C ATOM 814 CD2 LEU A 50 6.695 6.236 -13.756 1.00 1.43 C ATOM 0 H LEU A 50 7.626 5.878 -10.042 1.00 53.03 H new ATOM 0 HA LEU A 50 5.081 6.117 -11.426 1.00 24.42 H new ATOM 0 HB2 LEU A 50 7.074 3.829 -11.331 1.00 44.31 H new ATOM 0 HB3 LEU A 50 5.776 4.038 -12.490 1.00 44.31 H new ATOM 0 HG LEU A 50 8.146 5.909 -12.225 1.00 62.15 H new ATOM 0 HD11 LEU A 50 8.964 4.849 -14.294 1.00 42.34 H new ATOM 0 HD12 LEU A 50 8.868 3.687 -12.950 1.00 42.34 H new ATOM 0 HD13 LEU A 50 7.622 3.682 -14.222 1.00 42.34 H new ATOM 0 HD21 LEU A 50 7.393 6.748 -14.419 1.00 1.43 H new ATOM 0 HD22 LEU A 50 5.991 5.654 -14.350 1.00 1.43 H new ATOM 0 HD23 LEU A 50 6.150 6.972 -13.165 1.00 1.43 H new ATOM 826 N LEU A 51 5.290 4.560 -8.678 1.00 32.42 N ATOM 827 CA LEU A 51 4.575 3.765 -7.684 1.00 41.22 C ATOM 828 C LEU A 51 3.360 4.519 -7.155 1.00 12.13 C ATOM 829 O LEU A 51 2.517 3.950 -6.463 1.00 74.42 O ATOM 830 CB LEU A 51 5.507 3.400 -6.527 1.00 4.31 C ATOM 831 CG LEU A 51 6.192 2.036 -6.621 1.00 14.44 C ATOM 832 CD1 LEU A 51 7.221 1.879 -5.513 1.00 33.43 C ATOM 833 CD2 LEU A 51 5.162 0.918 -6.557 1.00 13.20 C ATOM 0 H LEU A 51 6.081 5.087 -8.307 1.00 32.42 H new ATOM 0 HA LEU A 51 4.230 2.851 -8.166 1.00 41.22 H new ATOM 0 HB2 LEU A 51 6.278 4.167 -6.452 1.00 4.31 H new ATOM 0 HB3 LEU A 51 4.934 3.433 -5.601 1.00 4.31 H new ATOM 0 HG LEU A 51 6.708 1.974 -7.579 1.00 14.44 H new ATOM 0 HD11 LEU A 51 7.698 0.903 -5.595 1.00 33.43 H new ATOM 0 HD12 LEU A 51 7.975 2.661 -5.604 1.00 33.43 H new ATOM 0 HD13 LEU A 51 6.728 1.961 -4.544 1.00 33.43 H new ATOM 0 HD21 LEU A 51 5.666 -0.046 -6.625 1.00 13.20 H new ATOM 0 HD22 LEU A 51 4.619 0.977 -5.614 1.00 13.20 H new ATOM 0 HD23 LEU A 51 4.462 1.020 -7.386 1.00 13.20 H new ATOM 845 N GLU A 52 3.276 5.804 -7.488 1.00 1.24 N ATOM 846 CA GLU A 52 2.162 6.636 -7.046 1.00 1.21 C ATOM 847 C GLU A 52 1.229 6.956 -8.210 1.00 31.23 C ATOM 848 O GLU A 52 0.492 7.942 -8.175 1.00 44.55 O ATOM 849 CB GLU A 52 2.682 7.933 -6.422 1.00 71.30 C ATOM 850 CG GLU A 52 3.569 8.743 -7.353 1.00 21.33 C ATOM 851 CD GLU A 52 3.293 10.231 -7.272 1.00 15.50 C ATOM 852 OE1 GLU A 52 2.103 10.612 -7.231 1.00 44.40 O ATOM 853 OE2 GLU A 52 4.264 11.016 -7.251 1.00 64.44 O ATOM 0 H GLU A 52 3.965 6.291 -8.061 1.00 1.24 H new ATOM 0 HA GLU A 52 1.601 6.080 -6.295 1.00 1.21 H new ATOM 0 HB2 GLU A 52 1.833 8.546 -6.118 1.00 71.30 H new ATOM 0 HB3 GLU A 52 3.242 7.693 -5.518 1.00 71.30 H new ATOM 0 HG2 GLU A 52 4.614 8.557 -7.106 1.00 21.33 H new ATOM 0 HG3 GLU A 52 3.419 8.404 -8.378 1.00 21.33 H new ATOM 860 N SER A 53 1.266 6.117 -9.240 1.00 31.10 N ATOM 861 CA SER A 53 0.426 6.312 -10.416 1.00 45.13 C ATOM 862 C SER A 53 -0.020 4.972 -10.992 1.00 54.25 C ATOM 863 O SER A 53 0.802 4.156 -11.408 1.00 51.12 O ATOM 864 CB SER A 53 1.181 7.112 -11.480 1.00 22.31 C ATOM 865 OG SER A 53 0.797 6.715 -12.784 1.00 70.30 O ATOM 0 H SER A 53 1.869 5.295 -9.284 1.00 31.10 H new ATOM 0 HA SER A 53 -0.460 6.870 -10.112 1.00 45.13 H new ATOM 0 HB2 SER A 53 0.984 8.176 -11.348 1.00 22.31 H new ATOM 0 HB3 SER A 53 2.254 6.969 -11.354 1.00 22.31 H new ATOM 0 HG SER A 53 1.292 7.242 -13.445 1.00 70.30 H new ATOM 871 N LYS A 54 -1.331 4.753 -11.015 1.00 61.24 N ATOM 872 CA LYS A 54 -1.891 3.513 -11.542 1.00 3.23 C ATOM 873 C LYS A 54 -1.364 3.231 -12.946 1.00 11.35 C ATOM 874 O LYS A 54 -1.083 2.085 -13.293 1.00 51.41 O ATOM 875 CB LYS A 54 -3.419 3.589 -11.564 1.00 54.35 C ATOM 876 CG LYS A 54 -3.960 4.685 -12.467 1.00 34.32 C ATOM 877 CD LYS A 54 -5.470 4.811 -12.347 1.00 4.24 C ATOM 878 CE LYS A 54 -5.861 5.903 -11.363 1.00 33.04 C ATOM 879 NZ LYS A 54 -6.170 7.187 -12.051 1.00 33.43 N ATOM 0 H LYS A 54 -2.026 5.418 -10.675 1.00 61.24 H new ATOM 0 HA LYS A 54 -1.583 2.697 -10.888 1.00 3.23 H new ATOM 0 HB2 LYS A 54 -3.818 2.629 -11.893 1.00 54.35 H new ATOM 0 HB3 LYS A 54 -3.781 3.754 -10.549 1.00 54.35 H new ATOM 0 HG2 LYS A 54 -3.493 5.635 -12.208 1.00 34.32 H new ATOM 0 HG3 LYS A 54 -3.693 4.470 -13.502 1.00 34.32 H new ATOM 0 HD2 LYS A 54 -5.897 5.031 -13.325 1.00 4.24 H new ATOM 0 HD3 LYS A 54 -5.891 3.859 -12.023 1.00 4.24 H new ATOM 0 HE2 LYS A 54 -6.730 5.580 -10.789 1.00 33.04 H new ATOM 0 HE3 LYS A 54 -5.050 6.058 -10.652 1.00 33.04 H new ATOM 0 HZ1 LYS A 54 -6.432 7.905 -11.345 1.00 33.43 H new ATOM 0 HZ2 LYS A 54 -5.333 7.509 -12.578 1.00 33.43 H new ATOM 0 HZ3 LYS A 54 -6.961 7.046 -12.711 1.00 33.43 H new ATOM 893 N GLU A 55 -1.231 4.285 -13.746 1.00 11.12 N ATOM 894 CA GLU A 55 -0.738 4.149 -15.111 1.00 22.15 C ATOM 895 C GLU A 55 0.736 3.750 -15.119 1.00 32.33 C ATOM 896 O GLU A 55 1.167 2.948 -15.946 1.00 4.24 O ATOM 897 CB GLU A 55 -0.926 5.460 -15.877 1.00 72.15 C ATOM 898 CG GLU A 55 -1.636 5.287 -17.211 1.00 3.13 C ATOM 899 CD GLU A 55 -0.672 5.034 -18.355 1.00 55.22 C ATOM 900 OE1 GLU A 55 0.218 5.879 -18.580 1.00 13.31 O ATOM 901 OE2 GLU A 55 -0.811 3.989 -19.024 1.00 64.35 O ATOM 0 H GLU A 55 -1.458 5.241 -13.472 1.00 11.12 H new ATOM 0 HA GLU A 55 -1.313 3.364 -15.602 1.00 22.15 H new ATOM 0 HB2 GLU A 55 -1.495 6.154 -15.259 1.00 72.15 H new ATOM 0 HB3 GLU A 55 0.050 5.914 -16.050 1.00 72.15 H new ATOM 0 HG2 GLU A 55 -2.337 4.455 -17.140 1.00 3.13 H new ATOM 0 HG3 GLU A 55 -2.222 6.181 -17.425 1.00 3.13 H new ATOM 908 N GLY A 56 1.502 4.317 -14.193 1.00 33.14 N ATOM 909 CA GLY A 56 2.918 4.010 -14.111 1.00 0.15 C ATOM 910 C GLY A 56 3.176 2.589 -13.649 1.00 44.34 C ATOM 911 O GLY A 56 4.063 1.912 -14.171 1.00 45.05 O ATOM 0 H GLY A 56 1.167 4.984 -13.498 1.00 33.14 H new ATOM 0 HA2 GLY A 56 3.377 4.160 -15.088 1.00 0.15 H new ATOM 0 HA3 GLY A 56 3.399 4.706 -13.423 1.00 0.15 H new ATOM 915 N CYS A 57 2.403 2.137 -12.669 1.00 4.33 N ATOM 916 CA CYS A 57 2.555 0.787 -12.135 1.00 14.41 C ATOM 917 C CYS A 57 2.241 -0.256 -13.201 1.00 72.45 C ATOM 918 O CYS A 57 2.746 -1.378 -13.153 1.00 24.01 O ATOM 919 CB CYS A 57 1.641 0.590 -10.925 1.00 70.42 C ATOM 920 SG CYS A 57 2.487 0.714 -9.332 1.00 4.52 S ATOM 0 H CYS A 57 1.664 2.685 -12.227 1.00 4.33 H new ATOM 0 HA CYS A 57 3.591 0.660 -11.822 1.00 14.41 H new ATOM 0 HB2 CYS A 57 0.845 1.333 -10.960 1.00 70.42 H new ATOM 0 HB3 CYS A 57 1.167 -0.389 -10.997 1.00 70.42 H new ATOM 0 HG CYS A 57 1.838 1.533 -8.558 1.00 4.52 H new ATOM 926 N GLN A 58 1.402 0.119 -14.161 1.00 64.50 N ATOM 927 CA GLN A 58 1.020 -0.787 -15.238 1.00 55.34 C ATOM 928 C GLN A 58 2.184 -1.018 -16.195 1.00 31.41 C ATOM 929 O GLN A 58 2.287 -2.073 -16.821 1.00 64.25 O ATOM 930 CB GLN A 58 -0.181 -0.226 -16.002 1.00 50.32 C ATOM 931 CG GLN A 58 -1.269 -1.254 -16.267 1.00 2.13 C ATOM 932 CD GLN A 58 -1.884 -1.112 -17.645 1.00 14.12 C ATOM 933 OE1 GLN A 58 -1.179 -1.095 -18.654 1.00 23.41 O ATOM 934 NE2 GLN A 58 -3.207 -1.008 -17.696 1.00 33.04 N ATOM 0 H GLN A 58 0.974 1.043 -14.215 1.00 64.50 H new ATOM 0 HA GLN A 58 0.745 -1.744 -14.794 1.00 55.34 H new ATOM 0 HB2 GLN A 58 -0.606 0.603 -15.436 1.00 50.32 H new ATOM 0 HB3 GLN A 58 0.162 0.181 -16.953 1.00 50.32 H new ATOM 0 HG2 GLN A 58 -0.851 -2.255 -16.162 1.00 2.13 H new ATOM 0 HG3 GLN A 58 -2.050 -1.154 -15.513 1.00 2.13 H new ATOM 0 HE21 GLN A 58 -3.754 -1.027 -16.835 1.00 33.04 H new ATOM 0 HE22 GLN A 58 -3.676 -0.909 -18.596 1.00 33.04 H new ATOM 943 N LYS A 59 3.059 -0.025 -16.305 1.00 12.50 N ATOM 944 CA LYS A 59 4.217 -0.118 -17.186 1.00 21.43 C ATOM 945 C LYS A 59 5.310 -0.975 -16.557 1.00 23.45 C ATOM 946 O LYS A 59 6.247 -1.400 -17.234 1.00 73.13 O ATOM 947 CB LYS A 59 4.764 1.278 -17.495 1.00 33.23 C ATOM 948 CG LYS A 59 4.188 1.889 -18.760 1.00 71.22 C ATOM 949 CD LYS A 59 5.284 2.414 -19.674 1.00 53.21 C ATOM 950 CE LYS A 59 5.581 1.440 -20.804 1.00 21.03 C ATOM 951 NZ LYS A 59 7.025 1.434 -21.165 1.00 5.22 N ATOM 0 H LYS A 59 2.988 0.855 -15.794 1.00 12.50 H new ATOM 0 HA LYS A 59 3.898 -0.590 -18.115 1.00 21.43 H new ATOM 0 HB2 LYS A 59 4.551 1.937 -16.653 1.00 33.23 H new ATOM 0 HB3 LYS A 59 5.848 1.222 -17.590 1.00 33.23 H new ATOM 0 HG2 LYS A 59 3.598 1.142 -19.290 1.00 71.22 H new ATOM 0 HG3 LYS A 59 3.511 2.702 -18.497 1.00 71.22 H new ATOM 0 HD2 LYS A 59 4.983 3.375 -20.090 1.00 53.21 H new ATOM 0 HD3 LYS A 59 6.191 2.588 -19.094 1.00 53.21 H new ATOM 0 HE2 LYS A 59 5.276 0.436 -20.508 1.00 21.03 H new ATOM 0 HE3 LYS A 59 4.989 1.707 -21.679 1.00 21.03 H new ATOM 0 HZ1 LYS A 59 7.187 0.758 -21.939 1.00 5.22 H new ATOM 0 HZ2 LYS A 59 7.310 2.386 -21.472 1.00 5.22 H new ATOM 0 HZ3 LYS A 59 7.589 1.154 -20.337 1.00 5.22 H new ATOM 965 N ILE A 60 5.184 -1.227 -15.257 1.00 64.24 N ATOM 966 CA ILE A 60 6.161 -2.036 -14.539 1.00 24.41 C ATOM 967 C ILE A 60 5.785 -3.513 -14.575 1.00 70.33 C ATOM 968 O ILE A 60 6.632 -4.377 -14.808 1.00 51.30 O ATOM 969 CB ILE A 60 6.292 -1.588 -13.072 1.00 23.23 C ATOM 970 CG1 ILE A 60 6.490 -0.072 -12.995 1.00 31.44 C ATOM 971 CG2 ILE A 60 7.447 -2.313 -12.397 1.00 4.51 C ATOM 972 CD1 ILE A 60 6.509 0.463 -11.580 1.00 61.13 C ATOM 0 H ILE A 60 4.416 -0.883 -14.681 1.00 64.24 H new ATOM 0 HA ILE A 60 7.118 -1.895 -15.041 1.00 24.41 H new ATOM 0 HB ILE A 60 5.372 -1.843 -12.546 1.00 23.23 H new ATOM 0 HG12 ILE A 60 7.427 0.189 -13.486 1.00 31.44 H new ATOM 0 HG13 ILE A 60 5.691 0.419 -13.550 1.00 31.44 H new ATOM 0 HG21 ILE A 60 7.526 -1.985 -11.360 1.00 4.51 H new ATOM 0 HG22 ILE A 60 7.268 -3.388 -12.425 1.00 4.51 H new ATOM 0 HG23 ILE A 60 8.375 -2.086 -12.921 1.00 4.51 H new ATOM 0 HD11 ILE A 60 6.653 1.543 -11.601 1.00 61.13 H new ATOM 0 HD12 ILE A 60 5.562 0.233 -11.091 1.00 61.13 H new ATOM 0 HD13 ILE A 60 7.325 -0.001 -11.027 1.00 61.13 H new ATOM 984 N LEU A 61 4.507 -3.799 -14.344 1.00 44.24 N ATOM 985 CA LEU A 61 4.017 -5.173 -14.353 1.00 52.41 C ATOM 986 C LEU A 61 4.173 -5.798 -15.735 1.00 74.32 C ATOM 987 O LEU A 61 4.328 -7.013 -15.865 1.00 71.02 O ATOM 988 CB LEU A 61 2.549 -5.213 -13.925 1.00 22.33 C ATOM 989 CG LEU A 61 2.271 -4.905 -12.453 1.00 14.33 C ATOM 990 CD1 LEU A 61 0.774 -4.903 -12.182 1.00 25.31 C ATOM 991 CD2 LEU A 61 2.977 -5.909 -11.554 1.00 72.31 C ATOM 0 H LEU A 61 3.793 -3.098 -14.148 1.00 44.24 H new ATOM 0 HA LEU A 61 4.612 -5.750 -13.645 1.00 52.41 H new ATOM 0 HB2 LEU A 61 1.994 -4.501 -14.536 1.00 22.33 H new ATOM 0 HB3 LEU A 61 2.153 -6.203 -14.150 1.00 22.33 H new ATOM 0 HG LEU A 61 2.661 -3.912 -12.230 1.00 14.33 H new ATOM 0 HD11 LEU A 61 0.595 -4.682 -11.130 1.00 25.31 H new ATOM 0 HD12 LEU A 61 0.294 -4.144 -12.799 1.00 25.31 H new ATOM 0 HD13 LEU A 61 0.359 -5.882 -12.423 1.00 25.31 H new ATOM 0 HD21 LEU A 61 2.767 -5.673 -10.511 1.00 72.31 H new ATOM 0 HD22 LEU A 61 2.618 -6.914 -11.778 1.00 72.31 H new ATOM 0 HD23 LEU A 61 4.052 -5.860 -11.728 1.00 72.31 H new ATOM 1003 N THR A 62 4.133 -4.960 -16.767 1.00 71.20 N ATOM 1004 CA THR A 62 4.270 -5.430 -18.139 1.00 61.13 C ATOM 1005 C THR A 62 5.671 -5.971 -18.398 1.00 23.12 C ATOM 1006 O THR A 62 5.861 -6.868 -19.220 1.00 1.32 O ATOM 1007 CB THR A 62 3.971 -4.308 -19.150 1.00 10.42 C ATOM 1008 OG1 THR A 62 3.701 -4.868 -20.440 1.00 2.21 O ATOM 1009 CG2 THR A 62 5.142 -3.340 -19.247 1.00 75.44 C ATOM 0 H THR A 62 4.007 -3.952 -16.677 1.00 71.20 H new ATOM 0 HA THR A 62 3.544 -6.232 -18.272 1.00 61.13 H new ATOM 0 HB THR A 62 3.095 -3.761 -18.802 1.00 10.42 H new ATOM 0 HG1 THR A 62 3.510 -4.147 -21.076 1.00 2.21 H new ATOM 0 HG21 THR A 62 4.907 -2.556 -19.967 1.00 75.44 H new ATOM 0 HG22 THR A 62 5.326 -2.892 -18.270 1.00 75.44 H new ATOM 0 HG23 THR A 62 6.032 -3.878 -19.573 1.00 75.44 H new ATOM 1017 N VAL A 63 6.653 -5.421 -17.689 1.00 73.32 N ATOM 1018 CA VAL A 63 8.038 -5.849 -17.841 1.00 24.31 C ATOM 1019 C VAL A 63 8.356 -7.018 -16.914 1.00 30.23 C ATOM 1020 O VAL A 63 9.097 -7.931 -17.280 1.00 2.41 O ATOM 1021 CB VAL A 63 9.017 -4.697 -17.550 1.00 21.33 C ATOM 1022 CG1 VAL A 63 10.455 -5.192 -17.597 1.00 24.14 C ATOM 1023 CG2 VAL A 63 8.805 -3.557 -18.535 1.00 11.01 C ATOM 0 H VAL A 63 6.514 -4.678 -17.004 1.00 73.32 H new ATOM 0 HA VAL A 63 8.160 -6.166 -18.877 1.00 24.31 H new ATOM 0 HB VAL A 63 8.820 -4.322 -16.546 1.00 21.33 H new ATOM 0 HG11 VAL A 63 11.132 -4.363 -17.389 1.00 24.14 H new ATOM 0 HG12 VAL A 63 10.596 -5.972 -16.849 1.00 24.14 H new ATOM 0 HG13 VAL A 63 10.669 -5.595 -18.587 1.00 24.14 H new ATOM 0 HG21 VAL A 63 9.505 -2.751 -18.315 1.00 11.01 H new ATOM 0 HG22 VAL A 63 8.973 -3.917 -19.550 1.00 11.01 H new ATOM 0 HG23 VAL A 63 7.784 -3.185 -18.447 1.00 11.01 H new ATOM 1033 N LEU A 64 7.792 -6.983 -15.712 1.00 74.34 N ATOM 1034 CA LEU A 64 8.014 -8.040 -14.731 1.00 74.22 C ATOM 1035 C LEU A 64 7.214 -9.289 -15.086 1.00 33.12 C ATOM 1036 O LEU A 64 7.550 -10.395 -14.662 1.00 11.31 O ATOM 1037 CB LEU A 64 7.630 -7.554 -13.332 1.00 61.03 C ATOM 1038 CG LEU A 64 8.554 -6.508 -12.709 1.00 21.12 C ATOM 1039 CD1 LEU A 64 7.850 -5.783 -11.572 1.00 32.31 C ATOM 1040 CD2 LEU A 64 9.838 -7.158 -12.214 1.00 22.14 C ATOM 0 H LEU A 64 7.177 -6.234 -15.393 1.00 74.34 H new ATOM 0 HA LEU A 64 9.074 -8.295 -14.742 1.00 74.22 H new ATOM 0 HB2 LEU A 64 6.623 -7.140 -13.377 1.00 61.03 H new ATOM 0 HB3 LEU A 64 7.590 -8.417 -12.667 1.00 61.03 H new ATOM 0 HG LEU A 64 8.812 -5.777 -13.475 1.00 21.12 H new ATOM 0 HD11 LEU A 64 8.523 -5.042 -11.141 1.00 32.31 H new ATOM 0 HD12 LEU A 64 6.959 -5.285 -11.955 1.00 32.31 H new ATOM 0 HD13 LEU A 64 7.562 -6.502 -10.805 1.00 32.31 H new ATOM 0 HD21 LEU A 64 10.484 -6.398 -11.774 1.00 22.14 H new ATOM 0 HD22 LEU A 64 9.599 -7.911 -11.463 1.00 22.14 H new ATOM 0 HD23 LEU A 64 10.352 -7.631 -13.051 1.00 22.14 H new ATOM 1052 N ASP A 65 6.154 -9.105 -15.866 1.00 62.11 N ATOM 1053 CA ASP A 65 5.307 -10.218 -16.280 1.00 43.41 C ATOM 1054 C ASP A 65 6.132 -11.304 -16.962 1.00 21.44 C ATOM 1055 O ASP A 65 6.191 -12.448 -16.510 1.00 4.12 O ATOM 1056 CB ASP A 65 4.209 -9.726 -17.224 1.00 40.21 C ATOM 1057 CG ASP A 65 3.822 -10.768 -18.255 1.00 72.20 C ATOM 1058 OD1 ASP A 65 3.561 -11.924 -17.861 1.00 2.44 O ATOM 1059 OD2 ASP A 65 3.781 -10.428 -19.456 1.00 70.32 O ATOM 0 H ASP A 65 5.861 -8.196 -16.224 1.00 62.11 H new ATOM 0 HA ASP A 65 4.846 -10.643 -15.389 1.00 43.41 H new ATOM 0 HB2 ASP A 65 3.330 -9.451 -16.642 1.00 40.21 H new ATOM 0 HB3 ASP A 65 4.549 -8.824 -17.733 1.00 40.21 H new ATOM 1064 N PRO A 66 6.785 -10.941 -18.076 1.00 52.22 N ATOM 1065 CA PRO A 66 7.617 -11.871 -18.844 1.00 44.34 C ATOM 1066 C PRO A 66 8.895 -12.252 -18.104 1.00 63.21 C ATOM 1067 O PRO A 66 9.584 -13.199 -18.483 1.00 54.43 O ATOM 1068 CB PRO A 66 7.950 -11.083 -20.114 1.00 41.34 C ATOM 1069 CG PRO A 66 7.844 -9.652 -19.711 1.00 73.21 C ATOM 1070 CD PRO A 66 6.759 -9.595 -18.672 1.00 13.12 C ATOM 0 HA PRO A 66 7.105 -12.815 -19.033 1.00 44.34 H new ATOM 0 HB2 PRO A 66 8.951 -11.319 -20.476 1.00 41.34 H new ATOM 0 HB3 PRO A 66 7.256 -11.320 -20.920 1.00 41.34 H new ATOM 0 HG2 PRO A 66 8.790 -9.289 -19.308 1.00 73.21 H new ATOM 0 HG3 PRO A 66 7.599 -9.023 -20.566 1.00 73.21 H new ATOM 0 HD2 PRO A 66 6.955 -8.823 -17.928 1.00 13.12 H new ATOM 0 HD3 PRO A 66 5.789 -9.371 -19.116 1.00 13.12 H new ATOM 1078 N MET A 67 9.205 -11.509 -17.047 1.00 55.40 N ATOM 1079 CA MET A 67 10.399 -11.771 -16.252 1.00 20.31 C ATOM 1080 C MET A 67 10.124 -12.830 -15.190 1.00 32.24 C ATOM 1081 O MET A 67 11.049 -13.436 -14.649 1.00 32.14 O ATOM 1082 CB MET A 67 10.890 -10.482 -15.589 1.00 71.32 C ATOM 1083 CG MET A 67 11.447 -9.466 -16.574 1.00 74.43 C ATOM 1084 SD MET A 67 13.246 -9.512 -16.674 1.00 64.24 S ATOM 1085 CE MET A 67 13.488 -9.487 -18.449 1.00 34.32 C ATOM 0 H MET A 67 8.646 -10.721 -16.721 1.00 55.40 H new ATOM 0 HA MET A 67 11.175 -12.145 -16.920 1.00 20.31 H new ATOM 0 HB2 MET A 67 10.065 -10.029 -15.039 1.00 71.32 H new ATOM 0 HB3 MET A 67 11.661 -10.729 -14.859 1.00 71.32 H new ATOM 0 HG2 MET A 67 11.027 -9.655 -17.562 1.00 74.43 H new ATOM 0 HG3 MET A 67 11.129 -8.466 -16.278 1.00 74.43 H new ATOM 0 HE1 MET A 67 14.555 -9.511 -18.671 1.00 34.32 H new ATOM 0 HE2 MET A 67 13.005 -10.357 -18.894 1.00 34.32 H new ATOM 0 HE3 MET A 67 13.052 -8.578 -18.863 1.00 34.32 H new ATOM 1095 N VAL A 68 8.846 -13.048 -14.894 1.00 1.11 N ATOM 1096 CA VAL A 68 8.449 -14.034 -13.897 1.00 22.13 C ATOM 1097 C VAL A 68 8.830 -15.443 -14.335 1.00 74.05 C ATOM 1098 O VAL A 68 9.572 -16.152 -13.657 1.00 22.42 O ATOM 1099 CB VAL A 68 6.933 -13.983 -13.630 1.00 23.25 C ATOM 1100 CG1 VAL A 68 6.422 -15.348 -13.194 1.00 12.53 C ATOM 1101 CG2 VAL A 68 6.611 -12.925 -12.584 1.00 63.02 C ATOM 0 H VAL A 68 8.068 -12.554 -15.331 1.00 1.11 H new ATOM 0 HA VAL A 68 8.981 -13.787 -12.978 1.00 22.13 H new ATOM 0 HB VAL A 68 6.427 -13.711 -14.556 1.00 23.25 H new ATOM 0 HG11 VAL A 68 5.349 -15.293 -13.010 1.00 12.53 H new ATOM 0 HG12 VAL A 68 6.618 -16.078 -13.979 1.00 12.53 H new ATOM 0 HG13 VAL A 68 6.932 -15.652 -12.280 1.00 12.53 H new ATOM 0 HG21 VAL A 68 5.536 -12.903 -12.408 1.00 63.02 H new ATOM 0 HG22 VAL A 68 7.126 -13.164 -11.654 1.00 63.02 H new ATOM 0 HG23 VAL A 68 6.940 -11.949 -12.940 1.00 63.02 H new ATOM 1111 N PRO A 69 8.309 -15.861 -15.500 1.00 24.40 N ATOM 1112 CA PRO A 69 8.583 -17.189 -16.057 1.00 34.54 C ATOM 1113 C PRO A 69 10.023 -17.333 -16.537 1.00 1.42 C ATOM 1114 O PRO A 69 10.427 -18.393 -17.015 1.00 0.13 O ATOM 1115 CB PRO A 69 7.613 -17.284 -17.238 1.00 24.41 C ATOM 1116 CG PRO A 69 7.358 -15.871 -17.633 1.00 11.54 C ATOM 1117 CD PRO A 69 7.416 -15.069 -16.361 1.00 63.22 C ATOM 0 HA PRO A 69 8.453 -17.977 -15.315 1.00 34.54 H new ATOM 0 HB2 PRO A 69 8.046 -17.853 -18.061 1.00 24.41 H new ATOM 0 HB3 PRO A 69 6.690 -17.788 -16.952 1.00 24.41 H new ATOM 0 HG2 PRO A 69 8.105 -15.525 -18.347 1.00 11.54 H new ATOM 0 HG3 PRO A 69 6.385 -15.770 -18.114 1.00 11.54 H new ATOM 0 HD2 PRO A 69 7.809 -14.067 -16.535 1.00 63.22 H new ATOM 0 HD3 PRO A 69 6.428 -14.951 -15.915 1.00 63.22 H new ATOM 1125 N THR A 70 10.795 -16.258 -16.405 1.00 22.22 N ATOM 1126 CA THR A 70 12.191 -16.264 -16.825 1.00 73.42 C ATOM 1127 C THR A 70 13.003 -15.233 -16.050 1.00 75.21 C ATOM 1128 O THR A 70 13.621 -14.346 -16.638 1.00 72.52 O ATOM 1129 CB THR A 70 12.324 -15.979 -18.333 1.00 44.52 C ATOM 1130 OG1 THR A 70 11.191 -16.503 -19.033 1.00 12.51 O ATOM 1131 CG2 THR A 70 13.599 -16.595 -18.889 1.00 40.43 C ATOM 0 H THR A 70 10.477 -15.373 -16.011 1.00 22.22 H new ATOM 0 HA THR A 70 12.581 -17.260 -16.615 1.00 73.42 H new ATOM 0 HB THR A 70 12.369 -14.899 -18.473 1.00 44.52 H new ATOM 0 HG1 THR A 70 11.283 -16.316 -19.991 1.00 12.51 H new ATOM 0 HG21 THR A 70 13.672 -16.381 -19.955 1.00 40.43 H new ATOM 0 HG22 THR A 70 14.462 -16.172 -18.374 1.00 40.43 H new ATOM 0 HG23 THR A 70 13.578 -17.674 -18.736 1.00 40.43 H new ATOM 1139 N GLY A 71 12.997 -15.355 -14.726 1.00 53.22 N ATOM 1140 CA GLY A 71 13.737 -14.426 -13.893 1.00 13.22 C ATOM 1141 C GLY A 71 14.058 -15.001 -12.527 1.00 63.42 C ATOM 1142 O GLY A 71 13.680 -16.131 -12.218 1.00 35.21 O ATOM 0 H GLY A 71 12.493 -16.080 -14.216 1.00 53.22 H new ATOM 0 HA2 GLY A 71 14.665 -14.152 -14.395 1.00 13.22 H new ATOM 0 HA3 GLY A 71 13.158 -13.511 -13.772 1.00 13.22 H new ATOM 1146 N SER A 72 14.759 -14.224 -11.709 1.00 63.11 N ATOM 1147 CA SER A 72 15.136 -14.666 -10.372 1.00 0.44 C ATOM 1148 C SER A 72 14.032 -14.354 -9.366 1.00 4.03 C ATOM 1149 O SER A 72 13.068 -13.660 -9.683 1.00 53.32 O ATOM 1150 CB SER A 72 16.440 -13.994 -9.939 1.00 24.23 C ATOM 1151 OG SER A 72 16.186 -12.824 -9.180 1.00 55.31 O ATOM 0 H SER A 72 15.078 -13.285 -11.948 1.00 63.11 H new ATOM 0 HA SER A 72 15.284 -15.746 -10.401 1.00 0.44 H new ATOM 0 HB2 SER A 72 17.033 -14.692 -9.348 1.00 24.23 H new ATOM 0 HB3 SER A 72 17.030 -13.739 -10.819 1.00 24.23 H new ATOM 0 HG SER A 72 17.036 -12.415 -8.915 1.00 55.31 H new ATOM 1157 N GLU A 73 14.184 -14.873 -8.151 1.00 15.12 N ATOM 1158 CA GLU A 73 13.199 -14.651 -7.098 1.00 71.32 C ATOM 1159 C GLU A 73 13.162 -13.182 -6.688 1.00 45.25 C ATOM 1160 O GLU A 73 12.097 -12.629 -6.414 1.00 44.12 O ATOM 1161 CB GLU A 73 13.514 -15.524 -5.881 1.00 43.54 C ATOM 1162 CG GLU A 73 14.894 -15.274 -5.296 1.00 11.35 C ATOM 1163 CD GLU A 73 15.451 -16.488 -4.576 1.00 54.00 C ATOM 1164 OE1 GLU A 73 15.796 -17.475 -5.259 1.00 13.24 O ATOM 1165 OE2 GLU A 73 15.541 -16.449 -3.331 1.00 60.34 O ATOM 0 H GLU A 73 14.978 -15.449 -7.872 1.00 15.12 H new ATOM 0 HA GLU A 73 12.219 -14.926 -7.489 1.00 71.32 H new ATOM 0 HB2 GLU A 73 12.764 -15.344 -5.111 1.00 43.54 H new ATOM 0 HB3 GLU A 73 13.433 -16.573 -6.166 1.00 43.54 H new ATOM 0 HG2 GLU A 73 15.577 -14.985 -6.095 1.00 11.35 H new ATOM 0 HG3 GLU A 73 14.844 -14.436 -4.601 1.00 11.35 H new ATOM 1172 N ASN A 74 14.334 -12.556 -6.649 1.00 52.33 N ATOM 1173 CA ASN A 74 14.437 -11.151 -6.272 1.00 1.35 C ATOM 1174 C ASN A 74 13.560 -10.281 -7.167 1.00 44.43 C ATOM 1175 O ASN A 74 13.154 -9.184 -6.781 1.00 1.04 O ATOM 1176 CB ASN A 74 15.891 -10.684 -6.355 1.00 63.21 C ATOM 1177 CG ASN A 74 16.838 -11.604 -5.608 1.00 53.02 C ATOM 1178 OD1 ASN A 74 16.543 -12.047 -4.498 1.00 22.24 O ATOM 1179 ND2 ASN A 74 17.982 -11.896 -6.216 1.00 4.24 N ATOM 0 H ASN A 74 15.225 -12.999 -6.874 1.00 52.33 H new ATOM 0 HA ASN A 74 14.088 -11.051 -5.244 1.00 1.35 H new ATOM 0 HB2 ASN A 74 16.193 -10.628 -7.401 1.00 63.21 H new ATOM 0 HB3 ASN A 74 15.970 -9.677 -5.946 1.00 63.21 H new ATOM 0 HD21 ASN A 74 18.658 -12.511 -5.763 1.00 4.24 H new ATOM 0 HD22 ASN A 74 18.184 -11.506 -7.136 1.00 4.24 H new ATOM 1186 N LEU A 75 13.272 -10.777 -8.365 1.00 72.51 N ATOM 1187 CA LEU A 75 12.442 -10.046 -9.317 1.00 61.15 C ATOM 1188 C LEU A 75 10.966 -10.372 -9.116 1.00 30.44 C ATOM 1189 O LEU A 75 10.132 -9.476 -8.989 1.00 52.12 O ATOM 1190 CB LEU A 75 12.859 -10.382 -10.750 1.00 22.50 C ATOM 1191 CG LEU A 75 11.889 -9.950 -11.850 1.00 70.43 C ATOM 1192 CD1 LEU A 75 12.636 -9.254 -12.977 1.00 51.03 C ATOM 1193 CD2 LEU A 75 11.116 -11.149 -12.380 1.00 62.21 C ATOM 0 H LEU A 75 13.601 -11.682 -8.701 1.00 72.51 H new ATOM 0 HA LEU A 75 12.586 -8.980 -9.143 1.00 61.15 H new ATOM 0 HB2 LEU A 75 13.826 -9.919 -10.944 1.00 22.50 H new ATOM 0 HB3 LEU A 75 13.002 -11.460 -10.822 1.00 22.50 H new ATOM 0 HG LEU A 75 11.177 -9.244 -11.424 1.00 70.43 H new ATOM 0 HD11 LEU A 75 11.929 -8.954 -13.751 1.00 51.03 H new ATOM 0 HD12 LEU A 75 13.143 -8.372 -12.587 1.00 51.03 H new ATOM 0 HD13 LEU A 75 13.371 -9.937 -13.402 1.00 51.03 H new ATOM 0 HD21 LEU A 75 10.430 -10.823 -13.162 1.00 62.21 H new ATOM 0 HD22 LEU A 75 11.814 -11.879 -12.790 1.00 62.21 H new ATOM 0 HD23 LEU A 75 10.550 -11.605 -11.568 1.00 62.21 H new ATOM 1205 N LYS A 76 10.649 -11.663 -9.084 1.00 0.32 N ATOM 1206 CA LYS A 76 9.274 -12.109 -8.894 1.00 24.04 C ATOM 1207 C LYS A 76 8.665 -11.477 -7.646 1.00 31.11 C ATOM 1208 O LYS A 76 7.466 -11.202 -7.601 1.00 41.10 O ATOM 1209 CB LYS A 76 9.222 -13.635 -8.783 1.00 51.25 C ATOM 1210 CG LYS A 76 8.158 -14.272 -9.659 1.00 11.13 C ATOM 1211 CD LYS A 76 7.819 -15.677 -9.191 1.00 52.33 C ATOM 1212 CE LYS A 76 9.027 -16.597 -9.268 1.00 44.04 C ATOM 1213 NZ LYS A 76 9.773 -16.642 -7.981 1.00 12.24 N ATOM 0 H LYS A 76 11.327 -12.418 -9.187 1.00 0.32 H new ATOM 0 HA LYS A 76 8.693 -11.794 -9.760 1.00 24.04 H new ATOM 0 HB2 LYS A 76 10.196 -14.044 -9.053 1.00 51.25 H new ATOM 0 HB3 LYS A 76 9.038 -13.909 -7.744 1.00 51.25 H new ATOM 0 HG2 LYS A 76 7.259 -13.656 -9.647 1.00 11.13 H new ATOM 0 HG3 LYS A 76 8.507 -14.305 -10.691 1.00 11.13 H new ATOM 0 HD2 LYS A 76 7.452 -15.641 -8.165 1.00 52.33 H new ATOM 0 HD3 LYS A 76 7.013 -16.081 -9.804 1.00 52.33 H new ATOM 0 HE2 LYS A 76 8.701 -17.603 -9.534 1.00 44.04 H new ATOM 0 HE3 LYS A 76 9.692 -16.257 -10.062 1.00 44.04 H new ATOM 0 HZ1 LYS A 76 10.757 -16.347 -8.140 1.00 12.24 H new ATOM 0 HZ2 LYS A 76 9.325 -15.999 -7.297 1.00 12.24 H new ATOM 0 HZ3 LYS A 76 9.759 -17.612 -7.605 1.00 12.24 H new ATOM 1227 N SER A 77 9.499 -11.249 -6.637 1.00 32.11 N ATOM 1228 CA SER A 77 9.041 -10.652 -5.387 1.00 53.42 C ATOM 1229 C SER A 77 8.446 -9.268 -5.633 1.00 14.03 C ATOM 1230 O SER A 77 7.366 -8.946 -5.134 1.00 42.34 O ATOM 1231 CB SER A 77 10.197 -10.553 -4.391 1.00 13.40 C ATOM 1232 OG SER A 77 10.299 -11.730 -3.609 1.00 63.34 O ATOM 0 H SER A 77 10.495 -11.468 -6.660 1.00 32.11 H new ATOM 0 HA SER A 77 8.265 -11.293 -4.969 1.00 53.42 H new ATOM 0 HB2 SER A 77 11.131 -10.388 -4.928 1.00 13.40 H new ATOM 0 HB3 SER A 77 10.047 -9.692 -3.740 1.00 13.40 H new ATOM 0 HG SER A 77 11.047 -11.642 -2.981 1.00 63.34 H new ATOM 1238 N LEU A 78 9.158 -8.454 -6.404 1.00 61.02 N ATOM 1239 CA LEU A 78 8.701 -7.103 -6.717 1.00 64.33 C ATOM 1240 C LEU A 78 7.453 -7.140 -7.592 1.00 53.11 C ATOM 1241 O LEU A 78 6.604 -6.251 -7.517 1.00 52.23 O ATOM 1242 CB LEU A 78 9.810 -6.321 -7.423 1.00 2.11 C ATOM 1243 CG LEU A 78 9.387 -5.010 -8.088 1.00 20.24 C ATOM 1244 CD1 LEU A 78 8.928 -4.006 -7.041 1.00 41.34 C ATOM 1245 CD2 LEU A 78 10.530 -4.438 -8.913 1.00 72.11 C ATOM 0 H LEU A 78 10.053 -8.705 -6.824 1.00 61.02 H new ATOM 0 HA LEU A 78 8.451 -6.603 -5.781 1.00 64.33 H new ATOM 0 HB2 LEU A 78 10.592 -6.101 -6.696 1.00 2.11 H new ATOM 0 HB3 LEU A 78 10.254 -6.964 -8.183 1.00 2.11 H new ATOM 0 HG LEU A 78 8.551 -5.216 -8.756 1.00 20.24 H new ATOM 0 HD11 LEU A 78 8.631 -3.079 -7.531 1.00 41.34 H new ATOM 0 HD12 LEU A 78 8.079 -4.415 -6.492 1.00 41.34 H new ATOM 0 HD13 LEU A 78 9.745 -3.804 -6.348 1.00 41.34 H new ATOM 0 HD21 LEU A 78 10.211 -3.506 -9.379 1.00 72.11 H new ATOM 0 HD22 LEU A 78 11.386 -4.246 -8.266 1.00 72.11 H new ATOM 0 HD23 LEU A 78 10.813 -5.152 -9.687 1.00 72.11 H new ATOM 1257 N PHE A 79 7.346 -8.174 -8.419 1.00 50.33 N ATOM 1258 CA PHE A 79 6.200 -8.327 -9.308 1.00 14.24 C ATOM 1259 C PHE A 79 4.918 -8.544 -8.509 1.00 73.00 C ATOM 1260 O PHE A 79 3.845 -8.088 -8.902 1.00 41.23 O ATOM 1261 CB PHE A 79 6.422 -9.500 -10.265 1.00 24.24 C ATOM 1262 CG PHE A 79 5.236 -9.797 -11.137 1.00 1.24 C ATOM 1263 CD1 PHE A 79 4.784 -8.863 -12.055 1.00 33.12 C ATOM 1264 CD2 PHE A 79 4.572 -11.008 -11.036 1.00 73.31 C ATOM 1265 CE1 PHE A 79 3.692 -9.133 -12.859 1.00 31.10 C ATOM 1266 CE2 PHE A 79 3.479 -11.284 -11.837 1.00 63.01 C ATOM 1267 CZ PHE A 79 3.039 -10.344 -12.749 1.00 73.32 C ATOM 0 H PHE A 79 8.039 -8.919 -8.492 1.00 50.33 H new ATOM 0 HA PHE A 79 6.096 -7.410 -9.887 1.00 14.24 H new ATOM 0 HB2 PHE A 79 7.283 -9.284 -10.898 1.00 24.24 H new ATOM 0 HB3 PHE A 79 6.668 -10.390 -9.685 1.00 24.24 H new ATOM 0 HD1 PHE A 79 5.290 -7.913 -12.144 1.00 33.12 H new ATOM 0 HD2 PHE A 79 4.912 -11.745 -10.324 1.00 73.31 H new ATOM 0 HE1 PHE A 79 3.350 -8.397 -13.572 1.00 31.10 H new ATOM 0 HE2 PHE A 79 2.970 -12.233 -11.750 1.00 63.01 H new ATOM 0 HZ PHE A 79 2.185 -10.557 -13.375 1.00 73.32 H new ATOM 1277 N ASN A 80 5.039 -9.244 -7.386 1.00 11.32 N ATOM 1278 CA ASN A 80 3.890 -9.524 -6.532 1.00 14.54 C ATOM 1279 C ASN A 80 3.436 -8.263 -5.803 1.00 1.44 C ATOM 1280 O ASN A 80 2.245 -8.067 -5.558 1.00 33.12 O ATOM 1281 CB ASN A 80 4.235 -10.616 -5.519 1.00 2.30 C ATOM 1282 CG ASN A 80 4.328 -11.988 -6.158 1.00 22.53 C ATOM 1283 OD1 ASN A 80 5.421 -12.487 -6.428 1.00 44.51 O ATOM 1284 ND2 ASN A 80 3.179 -12.607 -6.402 1.00 13.22 N ATOM 0 H ASN A 80 5.921 -9.628 -7.046 1.00 11.32 H new ATOM 0 HA ASN A 80 3.073 -9.871 -7.165 1.00 14.54 H new ATOM 0 HB2 ASN A 80 5.184 -10.376 -5.039 1.00 2.30 H new ATOM 0 HB3 ASN A 80 3.477 -10.634 -4.735 1.00 2.30 H new ATOM 0 HD21 ASN A 80 3.179 -13.533 -6.829 1.00 13.22 H new ATOM 0 HD22 ASN A 80 2.296 -12.156 -6.162 1.00 13.22 H new ATOM 1291 N THR A 81 4.394 -7.408 -5.457 1.00 31.34 N ATOM 1292 CA THR A 81 4.093 -6.167 -4.754 1.00 3.41 C ATOM 1293 C THR A 81 3.448 -5.149 -5.688 1.00 30.04 C ATOM 1294 O THR A 81 2.407 -4.574 -5.371 1.00 31.22 O ATOM 1295 CB THR A 81 5.362 -5.548 -4.138 1.00 25.32 C ATOM 1296 OG1 THR A 81 6.080 -6.541 -3.397 1.00 45.32 O ATOM 1297 CG2 THR A 81 5.008 -4.383 -3.225 1.00 62.23 C ATOM 0 H THR A 81 5.385 -7.553 -5.652 1.00 31.34 H new ATOM 0 HA THR A 81 3.395 -6.418 -3.955 1.00 3.41 H new ATOM 0 HB THR A 81 5.989 -5.176 -4.948 1.00 25.32 H new ATOM 0 HG1 THR A 81 6.480 -7.186 -4.017 1.00 45.32 H new ATOM 0 HG21 THR A 81 5.920 -3.962 -2.802 1.00 62.23 H new ATOM 0 HG22 THR A 81 4.487 -3.617 -3.799 1.00 62.23 H new ATOM 0 HG23 THR A 81 4.363 -4.735 -2.420 1.00 62.23 H new ATOM 1305 N VAL A 82 4.072 -4.932 -6.841 1.00 55.01 N ATOM 1306 CA VAL A 82 3.556 -3.984 -7.823 1.00 23.55 C ATOM 1307 C VAL A 82 2.112 -4.306 -8.191 1.00 10.32 C ATOM 1308 O VAL A 82 1.322 -3.408 -8.484 1.00 44.10 O ATOM 1309 CB VAL A 82 4.413 -3.983 -9.103 1.00 51.23 C ATOM 1310 CG1 VAL A 82 3.888 -2.955 -10.094 1.00 72.02 C ATOM 1311 CG2 VAL A 82 5.872 -3.715 -8.768 1.00 23.02 C ATOM 0 H VAL A 82 4.935 -5.399 -7.119 1.00 55.01 H new ATOM 0 HA VAL A 82 3.599 -2.996 -7.364 1.00 23.55 H new ATOM 0 HB VAL A 82 4.346 -4.968 -9.566 1.00 51.23 H new ATOM 0 HG11 VAL A 82 4.505 -2.968 -10.992 1.00 72.02 H new ATOM 0 HG12 VAL A 82 2.858 -3.196 -10.358 1.00 72.02 H new ATOM 0 HG13 VAL A 82 3.924 -1.963 -9.643 1.00 72.02 H new ATOM 0 HG21 VAL A 82 6.462 -3.718 -9.684 1.00 23.02 H new ATOM 0 HG22 VAL A 82 5.961 -2.743 -8.282 1.00 23.02 H new ATOM 0 HG23 VAL A 82 6.240 -4.491 -8.097 1.00 23.02 H new ATOM 1321 N CYS A 83 1.775 -5.590 -8.172 1.00 14.44 N ATOM 1322 CA CYS A 83 0.424 -6.030 -8.504 1.00 13.44 C ATOM 1323 C CYS A 83 -0.584 -5.510 -7.484 1.00 3.12 C ATOM 1324 O CYS A 83 -1.745 -5.266 -7.811 1.00 32.40 O ATOM 1325 CB CYS A 83 0.363 -7.557 -8.566 1.00 21.01 C ATOM 1326 SG CYS A 83 0.919 -8.254 -10.139 1.00 21.12 S ATOM 0 H CYS A 83 2.417 -6.345 -7.931 1.00 14.44 H new ATOM 0 HA CYS A 83 0.167 -5.623 -9.482 1.00 13.44 H new ATOM 0 HB2 CYS A 83 0.975 -7.967 -7.762 1.00 21.01 H new ATOM 0 HB3 CYS A 83 -0.662 -7.877 -8.381 1.00 21.01 H new ATOM 0 HG CYS A 83 2.209 -8.411 -10.112 1.00 21.12 H new ATOM 1332 N VAL A 84 -0.132 -5.343 -6.244 1.00 42.34 N ATOM 1333 CA VAL A 84 -0.993 -4.852 -5.176 1.00 30.44 C ATOM 1334 C VAL A 84 -1.067 -3.330 -5.184 1.00 41.12 C ATOM 1335 O VAL A 84 -2.119 -2.748 -4.921 1.00 54.10 O ATOM 1336 CB VAL A 84 -0.498 -5.324 -3.796 1.00 15.34 C ATOM 1337 CG1 VAL A 84 -1.432 -4.835 -2.699 1.00 35.53 C ATOM 1338 CG2 VAL A 84 -0.371 -6.839 -3.764 1.00 44.24 C ATOM 0 H VAL A 84 0.826 -5.541 -5.956 1.00 42.34 H new ATOM 0 HA VAL A 84 -1.987 -5.261 -5.358 1.00 30.44 H new ATOM 0 HB VAL A 84 0.489 -4.897 -3.618 1.00 15.34 H new ATOM 0 HG11 VAL A 84 -1.067 -5.178 -1.731 1.00 35.53 H new ATOM 0 HG12 VAL A 84 -1.466 -3.746 -2.709 1.00 35.53 H new ATOM 0 HG13 VAL A 84 -2.433 -5.231 -2.870 1.00 35.53 H new ATOM 0 HG21 VAL A 84 -0.020 -7.154 -2.781 1.00 44.24 H new ATOM 0 HG22 VAL A 84 -1.343 -7.290 -3.964 1.00 44.24 H new ATOM 0 HG23 VAL A 84 0.341 -7.161 -4.524 1.00 44.24 H new ATOM 1348 N ILE A 85 0.057 -2.690 -5.489 1.00 72.45 N ATOM 1349 CA ILE A 85 0.119 -1.235 -5.535 1.00 10.43 C ATOM 1350 C ILE A 85 -0.832 -0.676 -6.588 1.00 24.42 C ATOM 1351 O ILE A 85 -1.503 0.330 -6.360 1.00 54.05 O ATOM 1352 CB ILE A 85 1.547 -0.740 -5.834 1.00 74.23 C ATOM 1353 CG1 ILE A 85 2.534 -1.319 -4.819 1.00 34.50 C ATOM 1354 CG2 ILE A 85 1.595 0.780 -5.820 1.00 24.53 C ATOM 1355 CD1 ILE A 85 2.415 -0.704 -3.442 1.00 61.31 C ATOM 0 H ILE A 85 0.937 -3.157 -5.708 1.00 72.45 H new ATOM 0 HA ILE A 85 -0.182 -0.876 -4.551 1.00 10.43 H new ATOM 0 HB ILE A 85 1.834 -1.084 -6.828 1.00 74.23 H new ATOM 0 HG12 ILE A 85 2.375 -2.395 -4.743 1.00 34.50 H new ATOM 0 HG13 ILE A 85 3.549 -1.172 -5.187 1.00 34.50 H new ATOM 0 HG21 ILE A 85 2.611 1.114 -6.033 1.00 24.53 H new ATOM 0 HG22 ILE A 85 0.917 1.172 -6.578 1.00 24.53 H new ATOM 0 HG23 ILE A 85 1.291 1.145 -4.839 1.00 24.53 H new ATOM 0 HD11 ILE A 85 3.145 -1.162 -2.775 1.00 61.31 H new ATOM 0 HD12 ILE A 85 2.603 0.368 -3.505 1.00 61.31 H new ATOM 0 HD13 ILE A 85 1.411 -0.874 -3.053 1.00 61.31 H new ATOM 1367 N TRP A 86 -0.884 -1.336 -7.739 1.00 22.43 N ATOM 1368 CA TRP A 86 -1.754 -0.906 -8.828 1.00 31.45 C ATOM 1369 C TRP A 86 -3.222 -1.047 -8.438 1.00 73.13 C ATOM 1370 O TRP A 86 -4.040 -0.177 -8.740 1.00 2.32 O ATOM 1371 CB TRP A 86 -1.467 -1.722 -10.089 1.00 52.10 C ATOM 1372 CG TRP A 86 -2.303 -1.312 -11.264 1.00 2.32 C ATOM 1373 CD1 TRP A 86 -1.925 -0.500 -12.295 1.00 64.44 C ATOM 1374 CD2 TRP A 86 -3.658 -1.692 -11.526 1.00 61.43 C ATOM 1375 NE1 TRP A 86 -2.963 -0.353 -13.183 1.00 31.13 N ATOM 1376 CE2 TRP A 86 -4.037 -1.076 -12.735 1.00 13.13 C ATOM 1377 CE3 TRP A 86 -4.587 -2.496 -10.860 1.00 65.45 C ATOM 1378 CZ2 TRP A 86 -5.305 -1.238 -13.287 1.00 52.42 C ATOM 1379 CZ3 TRP A 86 -5.845 -2.656 -11.409 1.00 63.24 C ATOM 1380 CH2 TRP A 86 -6.194 -2.030 -12.613 1.00 54.54 C ATOM 0 H TRP A 86 -0.334 -2.171 -7.943 1.00 22.43 H new ATOM 0 HA TRP A 86 -1.551 0.145 -9.031 1.00 31.45 H new ATOM 0 HB2 TRP A 86 -0.413 -1.619 -10.348 1.00 52.10 H new ATOM 0 HB3 TRP A 86 -1.642 -2.777 -9.878 1.00 52.10 H new ATOM 0 HD1 TRP A 86 -0.953 -0.041 -12.397 1.00 64.44 H new ATOM 0 HE1 TRP A 86 -2.938 0.204 -14.037 1.00 31.13 H new ATOM 0 HE3 TRP A 86 -4.326 -2.984 -9.932 1.00 65.45 H new ATOM 0 HZ2 TRP A 86 -5.577 -0.756 -14.214 1.00 52.42 H new ATOM 0 HZ3 TRP A 86 -6.571 -3.274 -10.902 1.00 63.24 H new ATOM 0 HH2 TRP A 86 -7.185 -2.176 -13.017 1.00 54.54 H new ATOM 1391 N CYS A 87 -3.550 -2.147 -7.769 1.00 4.23 N ATOM 1392 CA CYS A 87 -4.920 -2.401 -7.340 1.00 13.42 C ATOM 1393 C CYS A 87 -5.419 -1.286 -6.426 1.00 51.31 C ATOM 1394 O CYS A 87 -6.414 -0.625 -6.723 1.00 41.30 O ATOM 1395 CB CYS A 87 -5.010 -3.746 -6.618 1.00 62.05 C ATOM 1396 SG CYS A 87 -5.863 -5.032 -7.560 1.00 72.31 S ATOM 0 H CYS A 87 -2.886 -2.877 -7.512 1.00 4.23 H new ATOM 0 HA CYS A 87 -5.552 -2.430 -8.227 1.00 13.42 H new ATOM 0 HB2 CYS A 87 -4.002 -4.089 -6.385 1.00 62.05 H new ATOM 0 HB3 CYS A 87 -5.526 -3.603 -5.669 1.00 62.05 H new ATOM 0 HG CYS A 87 -5.887 -6.133 -6.869 1.00 72.31 H new ATOM 1402 N ILE A 88 -4.722 -1.085 -5.312 1.00 40.23 N ATOM 1403 CA ILE A 88 -5.095 -0.051 -4.355 1.00 42.11 C ATOM 1404 C ILE A 88 -5.306 1.290 -5.048 1.00 51.35 C ATOM 1405 O ILE A 88 -6.184 2.066 -4.671 1.00 11.43 O ATOM 1406 CB ILE A 88 -4.026 0.113 -3.259 1.00 52.41 C ATOM 1407 CG1 ILE A 88 -3.838 -1.201 -2.498 1.00 62.33 C ATOM 1408 CG2 ILE A 88 -4.414 1.233 -2.305 1.00 20.32 C ATOM 1409 CD1 ILE A 88 -2.423 -1.420 -2.011 1.00 31.03 C ATOM 0 H ILE A 88 -3.897 -1.624 -5.051 1.00 40.23 H new ATOM 0 HA ILE A 88 -6.030 -0.370 -3.895 1.00 42.11 H new ATOM 0 HB ILE A 88 -3.079 0.376 -3.732 1.00 52.41 H new ATOM 0 HG12 ILE A 88 -4.514 -1.216 -1.643 1.00 62.33 H new ATOM 0 HG13 ILE A 88 -4.123 -2.030 -3.145 1.00 62.33 H new ATOM 0 HG21 ILE A 88 -3.649 1.337 -1.536 1.00 20.32 H new ATOM 0 HG22 ILE A 88 -4.502 2.168 -2.858 1.00 20.32 H new ATOM 0 HG23 ILE A 88 -5.370 0.997 -1.837 1.00 20.32 H new ATOM 0 HD11 ILE A 88 -2.364 -2.370 -1.481 1.00 31.03 H new ATOM 0 HD12 ILE A 88 -1.743 -1.437 -2.863 1.00 31.03 H new ATOM 0 HD13 ILE A 88 -2.141 -0.611 -1.338 1.00 31.03 H new ATOM 1421 N HIS A 89 -4.495 1.557 -6.068 1.00 12.13 N ATOM 1422 CA HIS A 89 -4.593 2.805 -6.818 1.00 13.05 C ATOM 1423 C HIS A 89 -5.756 2.754 -7.806 1.00 32.43 C ATOM 1424 O HIS A 89 -6.344 3.809 -8.042 1.00 62.21 O ATOM 1425 CB HIS A 89 -3.288 3.081 -7.564 1.00 24.41 C ATOM 1426 CG HIS A 89 -2.107 3.262 -6.659 1.00 60.31 C ATOM 1427 ND1 HIS A 89 -2.225 3.605 -5.329 1.00 1.11 N ATOM 1428 CD2 HIS A 89 -0.781 3.144 -6.900 1.00 62.50 C ATOM 1429 CE1 HIS A 89 -1.021 3.691 -4.792 1.00 12.14 C ATOM 1430 NE2 HIS A 89 -0.127 3.415 -5.724 1.00 34.12 N ATOM 0 H HIS A 89 -3.763 0.926 -6.394 1.00 12.13 H new ATOM 0 HA HIS A 89 -4.775 3.613 -6.109 1.00 13.05 H new ATOM 0 HB2 HIS A 89 -3.088 2.256 -8.248 1.00 24.41 H new ATOM 0 HB3 HIS A 89 -3.410 3.977 -8.173 1.00 24.41 H new ATOM 0 HD2 HIS A 89 -0.322 2.885 -7.843 1.00 62.50 H new ATOM 0 HE1 HIS A 89 -0.804 3.944 -3.765 1.00 12.14 H new ATOM 0 HE2 HIS A 89 0.884 3.405 -5.592 1.00 34.12 H new ATOM 1438 N ALA A 90 -6.091 1.598 -8.368 1.00 24.42 N ATOM 1439 CA ALA A 90 -7.195 1.500 -9.315 1.00 24.33 C ATOM 1440 C ALA A 90 -8.516 1.255 -8.594 1.00 40.22 C ATOM 1441 O ALA A 90 -9.525 0.937 -9.221 1.00 61.33 O ATOM 1442 CB ALA A 90 -6.928 0.391 -10.322 1.00 74.43 C ATOM 0 H ALA A 90 -5.614 0.716 -8.184 1.00 24.42 H new ATOM 0 HA ALA A 90 -7.272 2.449 -9.846 1.00 24.33 H new ATOM 0 HB1 ALA A 90 -7.760 0.328 -11.023 1.00 74.43 H new ATOM 0 HB2 ALA A 90 -6.009 0.608 -10.867 1.00 74.43 H new ATOM 0 HB3 ALA A 90 -6.823 -0.559 -9.798 1.00 74.43 H new ATOM 1448 N GLU A 91 -8.501 1.408 -7.273 1.00 52.12 N ATOM 1449 CA GLU A 91 -9.700 1.202 -6.468 1.00 54.33 C ATOM 1450 C GLU A 91 -10.148 -0.256 -6.522 1.00 13.50 C ATOM 1451 O GLU A 91 -11.291 -0.551 -6.870 1.00 64.20 O ATOM 1452 CB GLU A 91 -10.830 2.112 -6.953 1.00 51.33 C ATOM 1453 CG GLU A 91 -11.936 2.308 -5.931 1.00 11.21 C ATOM 1454 CD GLU A 91 -11.944 3.704 -5.339 1.00 2.33 C ATOM 1455 OE1 GLU A 91 -11.702 4.669 -6.094 1.00 53.14 O ATOM 1456 OE2 GLU A 91 -12.191 3.832 -4.122 1.00 12.32 O ATOM 0 H GLU A 91 -7.674 1.673 -6.739 1.00 52.12 H new ATOM 0 HA GLU A 91 -9.460 1.452 -5.435 1.00 54.33 H new ATOM 0 HB2 GLU A 91 -10.414 3.084 -7.216 1.00 51.33 H new ATOM 0 HB3 GLU A 91 -11.258 1.692 -7.863 1.00 51.33 H new ATOM 0 HG2 GLU A 91 -12.899 2.112 -6.402 1.00 11.21 H new ATOM 0 HG3 GLU A 91 -11.818 1.578 -5.130 1.00 11.21 H new ATOM 1463 N GLU A 92 -9.238 -1.161 -6.176 1.00 53.13 N ATOM 1464 CA GLU A 92 -9.540 -2.588 -6.186 1.00 43.55 C ATOM 1465 C GLU A 92 -9.195 -3.226 -4.844 1.00 74.31 C ATOM 1466 O GLU A 92 -8.116 -3.003 -4.296 1.00 1.45 O ATOM 1467 CB GLU A 92 -8.769 -3.286 -7.309 1.00 31.11 C ATOM 1468 CG GLU A 92 -9.384 -3.087 -8.683 1.00 75.45 C ATOM 1469 CD GLU A 92 -10.180 -4.293 -9.146 1.00 62.24 C ATOM 1470 OE1 GLU A 92 -10.751 -4.994 -8.286 1.00 24.32 O ATOM 1471 OE2 GLU A 92 -10.230 -4.535 -10.371 1.00 40.44 O ATOM 0 H GLU A 92 -8.287 -0.932 -5.886 1.00 53.13 H new ATOM 0 HA GLU A 92 -10.609 -2.707 -6.361 1.00 43.55 H new ATOM 0 HB2 GLU A 92 -7.745 -2.914 -7.321 1.00 31.11 H new ATOM 0 HB3 GLU A 92 -8.718 -4.353 -7.094 1.00 31.11 H new ATOM 0 HG2 GLU A 92 -10.035 -2.213 -8.663 1.00 75.45 H new ATOM 0 HG3 GLU A 92 -8.594 -2.879 -9.404 1.00 75.45 H new ATOM 1478 N LYS A 93 -10.120 -4.023 -4.319 1.00 72.11 N ATOM 1479 CA LYS A 93 -9.917 -4.696 -3.041 1.00 45.55 C ATOM 1480 C LYS A 93 -9.632 -6.180 -3.247 1.00 72.03 C ATOM 1481 O LYS A 93 -10.325 -6.854 -4.010 1.00 64.45 O ATOM 1482 CB LYS A 93 -11.146 -4.520 -2.148 1.00 32.20 C ATOM 1483 CG LYS A 93 -12.381 -5.237 -2.665 1.00 20.44 C ATOM 1484 CD LYS A 93 -13.643 -4.430 -2.407 1.00 63.25 C ATOM 1485 CE LYS A 93 -14.592 -5.162 -1.472 1.00 32.32 C ATOM 1486 NZ LYS A 93 -14.493 -4.657 -0.075 1.00 13.13 N ATOM 0 H LYS A 93 -11.019 -4.219 -4.760 1.00 72.11 H new ATOM 0 HA LYS A 93 -9.054 -4.243 -2.553 1.00 45.55 H new ATOM 0 HB2 LYS A 93 -10.914 -4.888 -1.149 1.00 32.20 H new ATOM 0 HB3 LYS A 93 -11.366 -3.457 -2.053 1.00 32.20 H new ATOM 0 HG2 LYS A 93 -12.276 -5.419 -3.735 1.00 20.44 H new ATOM 0 HG3 LYS A 93 -12.466 -6.211 -2.183 1.00 20.44 H new ATOM 0 HD2 LYS A 93 -13.377 -3.465 -1.975 1.00 63.25 H new ATOM 0 HD3 LYS A 93 -14.146 -4.228 -3.352 1.00 63.25 H new ATOM 0 HE2 LYS A 93 -15.615 -5.045 -1.829 1.00 32.32 H new ATOM 0 HE3 LYS A 93 -14.368 -6.229 -1.489 1.00 32.32 H new ATOM 0 HZ1 LYS A 93 -15.156 -5.181 0.531 1.00 13.13 H new ATOM 0 HZ2 LYS A 93 -13.523 -4.791 0.275 1.00 13.13 H new ATOM 0 HZ3 LYS A 93 -14.731 -3.645 -0.054 1.00 13.13 H new ATOM 1500 N VAL A 94 -8.611 -6.683 -2.562 1.00 23.33 N ATOM 1501 CA VAL A 94 -8.238 -8.089 -2.668 1.00 45.13 C ATOM 1502 C VAL A 94 -7.894 -8.670 -1.301 1.00 44.02 C ATOM 1503 O VAL A 94 -7.365 -7.975 -0.433 1.00 72.14 O ATOM 1504 CB VAL A 94 -7.036 -8.280 -3.612 1.00 42.41 C ATOM 1505 CG1 VAL A 94 -7.364 -7.765 -5.006 1.00 10.01 C ATOM 1506 CG2 VAL A 94 -5.803 -7.584 -3.054 1.00 74.20 C ATOM 0 H VAL A 94 -8.027 -6.138 -1.928 1.00 23.33 H new ATOM 0 HA VAL A 94 -9.100 -8.616 -3.077 1.00 45.13 H new ATOM 0 HB VAL A 94 -6.821 -9.346 -3.686 1.00 42.41 H new ATOM 0 HG11 VAL A 94 -6.503 -7.908 -5.659 1.00 10.01 H new ATOM 0 HG12 VAL A 94 -8.217 -8.313 -5.405 1.00 10.01 H new ATOM 0 HG13 VAL A 94 -7.607 -6.704 -4.954 1.00 10.01 H new ATOM 0 HG21 VAL A 94 -4.964 -7.730 -3.734 1.00 74.20 H new ATOM 0 HG22 VAL A 94 -6.004 -6.518 -2.948 1.00 74.20 H new ATOM 0 HG23 VAL A 94 -5.557 -8.005 -2.079 1.00 74.20 H new ATOM 1516 N LYS A 95 -8.197 -9.951 -1.116 1.00 41.10 N ATOM 1517 CA LYS A 95 -7.919 -10.629 0.144 1.00 24.13 C ATOM 1518 C LYS A 95 -6.434 -10.953 0.272 1.00 63.34 C ATOM 1519 O LYS A 95 -5.843 -10.792 1.340 1.00 63.41 O ATOM 1520 CB LYS A 95 -8.743 -11.914 0.248 1.00 63.21 C ATOM 1521 CG LYS A 95 -10.243 -11.677 0.230 1.00 74.45 C ATOM 1522 CD LYS A 95 -10.978 -12.813 -0.463 1.00 15.10 C ATOM 1523 CE LYS A 95 -11.236 -12.497 -1.928 1.00 61.53 C ATOM 1524 NZ LYS A 95 -12.258 -13.405 -2.519 1.00 73.43 N ATOM 0 H LYS A 95 -8.635 -10.540 -1.824 1.00 41.10 H new ATOM 0 HA LYS A 95 -8.198 -9.959 0.957 1.00 24.13 H new ATOM 0 HB2 LYS A 95 -8.478 -12.574 -0.578 1.00 63.21 H new ATOM 0 HB3 LYS A 95 -8.477 -12.433 1.169 1.00 63.21 H new ATOM 0 HG2 LYS A 95 -10.609 -11.575 1.252 1.00 74.45 H new ATOM 0 HG3 LYS A 95 -10.458 -10.738 -0.280 1.00 74.45 H new ATOM 0 HD2 LYS A 95 -10.392 -13.729 -0.385 1.00 15.10 H new ATOM 0 HD3 LYS A 95 -11.926 -12.997 0.043 1.00 15.10 H new ATOM 0 HE2 LYS A 95 -11.569 -11.464 -2.023 1.00 61.53 H new ATOM 0 HE3 LYS A 95 -10.305 -12.585 -2.488 1.00 61.53 H new ATOM 0 HZ1 LYS A 95 -12.406 -13.158 -3.518 1.00 73.43 H new ATOM 0 HZ2 LYS A 95 -11.929 -14.389 -2.451 1.00 73.43 H new ATOM 0 HZ3 LYS A 95 -13.154 -13.303 -2.001 1.00 73.43 H new ATOM 1538 N ASP A 96 -5.836 -11.409 -0.824 1.00 63.42 N ATOM 1539 CA ASP A 96 -4.419 -11.753 -0.836 1.00 1.13 C ATOM 1540 C ASP A 96 -3.737 -11.206 -2.085 1.00 2.00 C ATOM 1541 O ASP A 96 -4.353 -10.500 -2.884 1.00 1.21 O ATOM 1542 CB ASP A 96 -4.241 -13.270 -0.765 1.00 70.44 C ATOM 1543 CG ASP A 96 -4.991 -13.993 -1.867 1.00 41.22 C ATOM 1544 OD1 ASP A 96 -4.476 -14.040 -3.004 1.00 44.21 O ATOM 1545 OD2 ASP A 96 -6.092 -14.512 -1.592 1.00 74.42 O ATOM 0 H ASP A 96 -6.311 -11.549 -1.716 1.00 63.42 H new ATOM 0 HA ASP A 96 -3.953 -11.299 0.038 1.00 1.13 H new ATOM 0 HB2 ASP A 96 -3.180 -13.512 -0.832 1.00 70.44 H new ATOM 0 HB3 ASP A 96 -4.589 -13.629 0.204 1.00 70.44 H new ATOM 1550 N THR A 97 -2.458 -11.534 -2.248 1.00 54.30 N ATOM 1551 CA THR A 97 -1.692 -11.074 -3.398 1.00 2.32 C ATOM 1552 C THR A 97 -2.110 -11.807 -4.667 1.00 53.25 C ATOM 1553 O THR A 97 -2.222 -11.204 -5.734 1.00 71.14 O ATOM 1554 CB THR A 97 -0.179 -11.269 -3.180 1.00 33.52 C ATOM 1555 OG1 THR A 97 0.212 -10.703 -1.925 1.00 50.33 O ATOM 1556 CG2 THR A 97 0.617 -10.626 -4.305 1.00 21.41 C ATOM 0 H THR A 97 -1.932 -12.117 -1.597 1.00 54.30 H new ATOM 0 HA THR A 97 -1.901 -10.010 -3.511 1.00 2.32 H new ATOM 0 HB THR A 97 0.031 -12.339 -3.175 1.00 33.52 H new ATOM 0 HG1 THR A 97 0.737 -9.890 -2.082 1.00 50.33 H new ATOM 0 HG21 THR A 97 1.682 -10.777 -4.129 1.00 21.41 H new ATOM 0 HG22 THR A 97 0.338 -11.082 -5.255 1.00 21.41 H new ATOM 0 HG23 THR A 97 0.402 -9.558 -4.338 1.00 21.41 H new ATOM 1564 N GLU A 98 -2.339 -13.110 -4.544 1.00 34.14 N ATOM 1565 CA GLU A 98 -2.746 -13.926 -5.682 1.00 52.45 C ATOM 1566 C GLU A 98 -3.960 -13.318 -6.381 1.00 24.15 C ATOM 1567 O GLU A 98 -3.990 -13.197 -7.604 1.00 73.55 O ATOM 1568 CB GLU A 98 -3.064 -15.352 -5.230 1.00 13.24 C ATOM 1569 CG GLU A 98 -2.116 -16.395 -5.795 1.00 24.43 C ATOM 1570 CD GLU A 98 -2.736 -17.198 -6.921 1.00 65.43 C ATOM 1571 OE1 GLU A 98 -2.940 -16.629 -8.014 1.00 4.33 O ATOM 1572 OE2 GLU A 98 -3.017 -18.398 -6.711 1.00 43.53 O ATOM 0 H GLU A 98 -2.250 -13.624 -3.667 1.00 34.14 H new ATOM 0 HA GLU A 98 -1.917 -13.955 -6.390 1.00 52.45 H new ATOM 0 HB2 GLU A 98 -3.031 -15.395 -4.141 1.00 13.24 H new ATOM 0 HB3 GLU A 98 -4.083 -15.600 -5.528 1.00 13.24 H new ATOM 0 HG2 GLU A 98 -1.215 -15.902 -6.159 1.00 24.43 H new ATOM 0 HG3 GLU A 98 -1.809 -17.072 -4.997 1.00 24.43 H new ATOM 1579 N GLY A 99 -4.961 -12.939 -5.591 1.00 63.13 N ATOM 1580 CA GLY A 99 -6.164 -12.350 -6.150 1.00 21.11 C ATOM 1581 C GLY A 99 -5.875 -11.104 -6.964 1.00 31.04 C ATOM 1582 O GLY A 99 -6.482 -10.885 -8.011 1.00 43.03 O ATOM 0 H GLY A 99 -4.960 -13.029 -4.575 1.00 63.13 H new ATOM 0 HA2 GLY A 99 -6.665 -13.084 -6.781 1.00 21.11 H new ATOM 0 HA3 GLY A 99 -6.852 -12.101 -5.342 1.00 21.11 H new ATOM 1586 N ALA A 100 -4.948 -10.285 -6.479 1.00 64.23 N ATOM 1587 CA ALA A 100 -4.581 -9.054 -7.169 1.00 65.20 C ATOM 1588 C ALA A 100 -3.809 -9.353 -8.451 1.00 2.13 C ATOM 1589 O ALA A 100 -3.930 -8.633 -9.443 1.00 20.24 O ATOM 1590 CB ALA A 100 -3.758 -8.161 -6.252 1.00 40.20 C ATOM 0 H ALA A 100 -4.438 -10.451 -5.612 1.00 64.23 H new ATOM 0 HA ALA A 100 -5.498 -8.531 -7.441 1.00 65.20 H new ATOM 0 HB1 ALA A 100 -3.491 -7.245 -6.780 1.00 40.20 H new ATOM 0 HB2 ALA A 100 -4.342 -7.912 -5.366 1.00 40.20 H new ATOM 0 HB3 ALA A 100 -2.850 -8.685 -5.952 1.00 40.20 H new ATOM 1596 N LYS A 101 -3.015 -10.418 -8.424 1.00 2.42 N ATOM 1597 CA LYS A 101 -2.224 -10.813 -9.583 1.00 43.20 C ATOM 1598 C LYS A 101 -3.126 -11.232 -10.740 1.00 61.02 C ATOM 1599 O LYS A 101 -2.757 -11.092 -11.906 1.00 32.44 O ATOM 1600 CB LYS A 101 -1.281 -11.961 -9.215 1.00 51.45 C ATOM 1601 CG LYS A 101 0.185 -11.644 -9.454 1.00 25.12 C ATOM 1602 CD LYS A 101 0.986 -12.900 -9.749 1.00 24.54 C ATOM 1603 CE LYS A 101 1.081 -13.801 -8.527 1.00 31.34 C ATOM 1604 NZ LYS A 101 0.267 -15.039 -8.686 1.00 24.20 N ATOM 0 H LYS A 101 -2.902 -11.024 -7.611 1.00 2.42 H new ATOM 0 HA LYS A 101 -1.633 -9.953 -9.899 1.00 43.20 H new ATOM 0 HB2 LYS A 101 -1.423 -12.214 -8.164 1.00 51.45 H new ATOM 0 HB3 LYS A 101 -1.553 -12.843 -9.795 1.00 51.45 H new ATOM 0 HG2 LYS A 101 0.276 -10.949 -10.288 1.00 25.12 H new ATOM 0 HG3 LYS A 101 0.598 -11.146 -8.577 1.00 25.12 H new ATOM 0 HD2 LYS A 101 0.520 -13.446 -10.569 1.00 24.54 H new ATOM 0 HD3 LYS A 101 1.988 -12.625 -10.078 1.00 24.54 H new ATOM 0 HE2 LYS A 101 2.123 -14.071 -8.355 1.00 31.34 H new ATOM 0 HE3 LYS A 101 0.744 -13.255 -7.646 1.00 31.34 H new ATOM 0 HZ1 LYS A 101 0.358 -15.626 -7.833 1.00 24.20 H new ATOM 0 HZ2 LYS A 101 -0.731 -14.783 -8.825 1.00 24.20 H new ATOM 0 HZ3 LYS A 101 0.605 -15.573 -9.512 1.00 24.20 H new ATOM 1618 N GLN A 102 -4.306 -11.744 -10.409 1.00 13.11 N ATOM 1619 CA GLN A 102 -5.260 -12.181 -11.422 1.00 32.34 C ATOM 1620 C GLN A 102 -6.022 -10.994 -12.001 1.00 22.34 C ATOM 1621 O GLN A 102 -6.083 -10.819 -13.218 1.00 43.40 O ATOM 1622 CB GLN A 102 -6.242 -13.191 -10.825 1.00 23.04 C ATOM 1623 CG GLN A 102 -6.212 -14.547 -11.511 1.00 62.41 C ATOM 1624 CD GLN A 102 -5.138 -15.460 -10.953 1.00 44.41 C ATOM 1625 OE1 GLN A 102 -4.289 -15.032 -10.171 1.00 25.44 O ATOM 1626 NE2 GLN A 102 -5.170 -16.725 -11.354 1.00 61.42 N ATOM 0 H GLN A 102 -4.625 -11.867 -9.448 1.00 13.11 H new ATOM 0 HA GLN A 102 -4.703 -12.659 -12.228 1.00 32.34 H new ATOM 0 HB2 GLN A 102 -6.016 -13.323 -9.767 1.00 23.04 H new ATOM 0 HB3 GLN A 102 -7.251 -12.784 -10.887 1.00 23.04 H new ATOM 0 HG2 GLN A 102 -7.184 -15.027 -11.401 1.00 62.41 H new ATOM 0 HG3 GLN A 102 -6.045 -14.406 -12.579 1.00 62.41 H new ATOM 0 HE21 GLN A 102 -5.892 -17.036 -12.004 1.00 61.42 H new ATOM 0 HE22 GLN A 102 -4.472 -17.386 -11.013 1.00 61.42 H new ATOM 1635 N ILE A 103 -6.602 -10.184 -11.122 1.00 51.21 N ATOM 1636 CA ILE A 103 -7.359 -9.013 -11.547 1.00 74.25 C ATOM 1637 C ILE A 103 -6.535 -8.134 -12.481 1.00 61.05 C ATOM 1638 O ILE A 103 -7.010 -7.712 -13.536 1.00 12.12 O ATOM 1639 CB ILE A 103 -7.820 -8.172 -10.342 1.00 63.35 C ATOM 1640 CG1 ILE A 103 -8.712 -9.006 -9.421 1.00 72.52 C ATOM 1641 CG2 ILE A 103 -8.554 -6.927 -10.815 1.00 5.12 C ATOM 1642 CD1 ILE A 103 -9.048 -8.316 -8.117 1.00 64.43 C ATOM 0 H ILE A 103 -6.562 -10.317 -10.111 1.00 51.21 H new ATOM 0 HA ILE A 103 -8.236 -9.381 -12.079 1.00 74.25 H new ATOM 0 HB ILE A 103 -6.941 -7.859 -9.779 1.00 63.35 H new ATOM 0 HG12 ILE A 103 -9.637 -9.246 -9.945 1.00 72.52 H new ATOM 0 HG13 ILE A 103 -8.214 -9.951 -9.205 1.00 72.52 H new ATOM 0 HG21 ILE A 103 -8.874 -6.343 -9.952 1.00 5.12 H new ATOM 0 HG22 ILE A 103 -7.888 -6.325 -11.434 1.00 5.12 H new ATOM 0 HG23 ILE A 103 -9.427 -7.219 -11.399 1.00 5.12 H new ATOM 0 HD11 ILE A 103 -9.683 -8.966 -7.515 1.00 64.43 H new ATOM 0 HD12 ILE A 103 -8.129 -8.100 -7.572 1.00 64.43 H new ATOM 0 HD13 ILE A 103 -9.574 -7.384 -8.324 1.00 64.43 H new ATOM 1654 N VAL A 104 -5.294 -7.864 -12.089 1.00 45.23 N ATOM 1655 CA VAL A 104 -4.401 -7.037 -12.893 1.00 23.55 C ATOM 1656 C VAL A 104 -4.128 -7.680 -14.247 1.00 72.25 C ATOM 1657 O VAL A 104 -4.285 -7.044 -15.290 1.00 11.23 O ATOM 1658 CB VAL A 104 -3.060 -6.797 -12.172 1.00 41.33 C ATOM 1659 CG1 VAL A 104 -2.124 -5.976 -13.046 1.00 53.51 C ATOM 1660 CG2 VAL A 104 -3.291 -6.112 -10.834 1.00 23.31 C ATOM 0 H VAL A 104 -4.884 -8.206 -11.220 1.00 45.23 H new ATOM 0 HA VAL A 104 -4.902 -6.081 -13.042 1.00 23.55 H new ATOM 0 HB VAL A 104 -2.590 -7.762 -11.984 1.00 41.33 H new ATOM 0 HG11 VAL A 104 -1.182 -5.816 -12.521 1.00 53.51 H new ATOM 0 HG12 VAL A 104 -1.934 -6.510 -13.977 1.00 53.51 H new ATOM 0 HG13 VAL A 104 -2.584 -5.013 -13.267 1.00 53.51 H new ATOM 0 HG21 VAL A 104 -2.334 -5.950 -10.338 1.00 23.31 H new ATOM 0 HG22 VAL A 104 -3.782 -5.153 -10.996 1.00 23.31 H new ATOM 0 HG23 VAL A 104 -3.922 -6.742 -10.207 1.00 23.31 H new ATOM 1670 N ARG A 105 -3.720 -8.945 -14.225 1.00 55.35 N ATOM 1671 CA ARG A 105 -3.425 -9.674 -15.454 1.00 1.54 C ATOM 1672 C ARG A 105 -4.596 -9.591 -16.429 1.00 43.13 C ATOM 1673 O ARG A 105 -4.419 -9.250 -17.599 1.00 10.31 O ATOM 1674 CB ARG A 105 -3.111 -11.137 -15.140 1.00 73.34 C ATOM 1675 CG ARG A 105 -2.634 -11.929 -16.346 1.00 72.30 C ATOM 1676 CD ARG A 105 -1.567 -12.943 -15.961 1.00 11.44 C ATOM 1677 NE ARG A 105 -0.812 -13.411 -17.119 1.00 51.01 N ATOM 1678 CZ ARG A 105 0.300 -14.132 -17.030 1.00 52.24 C ATOM 1679 NH1 ARG A 105 0.784 -14.466 -15.841 1.00 51.53 N ATOM 1680 NH2 ARG A 105 0.931 -14.520 -18.131 1.00 14.33 N ATOM 0 H ARG A 105 -3.586 -9.486 -13.371 1.00 55.35 H new ATOM 0 HA ARG A 105 -2.553 -9.215 -15.920 1.00 1.54 H new ATOM 0 HB2 ARG A 105 -2.347 -11.177 -14.364 1.00 73.34 H new ATOM 0 HB3 ARG A 105 -4.004 -11.612 -14.733 1.00 73.34 H new ATOM 0 HG2 ARG A 105 -3.480 -12.444 -16.802 1.00 72.30 H new ATOM 0 HG3 ARG A 105 -2.235 -11.246 -17.096 1.00 72.30 H new ATOM 0 HD2 ARG A 105 -0.884 -12.494 -15.240 1.00 11.44 H new ATOM 0 HD3 ARG A 105 -2.037 -13.794 -15.467 1.00 11.44 H new ATOM 0 HE ARG A 105 -1.157 -13.171 -18.048 1.00 51.01 H new ATOM 0 HH11 ARG A 105 0.302 -14.169 -14.992 1.00 51.53 H new ATOM 0 HH12 ARG A 105 1.638 -15.020 -15.775 1.00 51.53 H new ATOM 0 HH21 ARG A 105 0.562 -14.265 -19.047 1.00 14.33 H new ATOM 0 HH22 ARG A 105 1.785 -15.074 -18.061 1.00 14.33 H new ATOM 1694 N ARG A 106 -5.790 -9.908 -15.940 1.00 53.51 N ATOM 1695 CA ARG A 106 -6.990 -9.870 -16.769 1.00 21.31 C ATOM 1696 C ARG A 106 -7.152 -8.505 -17.430 1.00 13.14 C ATOM 1697 O ARG A 106 -7.373 -8.410 -18.637 1.00 61.10 O ATOM 1698 CB ARG A 106 -8.226 -10.193 -15.928 1.00 34.22 C ATOM 1699 CG ARG A 106 -9.516 -10.231 -16.732 1.00 3.04 C ATOM 1700 CD ARG A 106 -9.611 -11.494 -17.572 1.00 72.15 C ATOM 1701 NE ARG A 106 -9.039 -11.309 -18.903 1.00 74.14 N ATOM 1702 CZ ARG A 106 -8.688 -12.314 -19.698 1.00 50.42 C ATOM 1703 NH1 ARG A 106 -8.851 -13.568 -19.299 1.00 45.30 N ATOM 1704 NH2 ARG A 106 -8.174 -12.066 -20.897 1.00 12.45 N ATOM 0 H ARG A 106 -5.953 -10.194 -14.975 1.00 53.51 H new ATOM 0 HA ARG A 106 -6.885 -10.622 -17.551 1.00 21.31 H new ATOM 0 HB2 ARG A 106 -8.082 -11.158 -15.442 1.00 34.22 H new ATOM 0 HB3 ARG A 106 -8.322 -9.449 -15.138 1.00 34.22 H new ATOM 0 HG2 ARG A 106 -10.369 -10.177 -16.056 1.00 3.04 H new ATOM 0 HG3 ARG A 106 -9.568 -9.356 -17.381 1.00 3.04 H new ATOM 0 HD2 ARG A 106 -9.092 -12.307 -17.064 1.00 72.15 H new ATOM 0 HD3 ARG A 106 -10.656 -11.791 -17.664 1.00 72.15 H new ATOM 0 HE ARG A 106 -8.901 -10.356 -19.241 1.00 74.14 H new ATOM 0 HH11 ARG A 106 -9.247 -13.763 -18.379 1.00 45.30 H new ATOM 0 HH12 ARG A 106 -8.581 -14.337 -19.912 1.00 45.30 H new ATOM 0 HH21 ARG A 106 -8.048 -11.103 -21.209 1.00 12.45 H new ATOM 0 HH22 ARG A 106 -7.905 -12.839 -21.506 1.00 12.45 H new ATOM 1718 N HIS A 107 -7.044 -7.450 -16.628 1.00 44.45 N ATOM 1719 CA HIS A 107 -7.178 -6.087 -17.135 1.00 70.30 C ATOM 1720 C HIS A 107 -6.171 -5.822 -18.251 1.00 11.31 C ATOM 1721 O HIS A 107 -6.522 -5.074 -19.164 1.00 70.23 O ATOM 1722 CB HIS A 107 -6.982 -5.078 -16.004 1.00 41.42 C ATOM 1723 CG HIS A 107 -8.079 -5.100 -14.985 1.00 22.25 C ATOM 1724 ND1 HIS A 107 -9.410 -5.247 -15.314 1.00 30.54 N ATOM 1725 CD2 HIS A 107 -8.037 -4.994 -13.636 1.00 51.41 C ATOM 1726 CE1 HIS A 107 -10.139 -5.229 -14.212 1.00 63.54 C ATOM 1727 NE2 HIS A 107 -9.329 -5.077 -13.179 1.00 62.14 N ATOM 0 H HIS A 107 -6.864 -7.512 -15.626 1.00 44.45 H new ATOM 0 HA HIS A 107 -8.183 -5.973 -17.542 1.00 70.30 H new ATOM 0 HB2 HIS A 107 -6.033 -5.280 -15.508 1.00 41.42 H new ATOM 0 HB3 HIS A 107 -6.912 -4.077 -16.429 1.00 41.42 H new ATOM 0 HD2 HIS A 107 -7.151 -4.868 -13.031 1.00 51.41 H new ATOM 0 HE1 HIS A 107 -11.214 -5.323 -14.164 1.00 63.54 H new ATOM 0 HE2 HIS A 107 -9.617 -5.029 -12.202 1.00 62.14 H new ATOM 1735 N LEU A 108 -4.973 -6.391 -18.203 1.00 5.13 N ATOM 1736 CA LEU A 108 -3.976 -6.167 -19.246 1.00 34.35 C ATOM 1737 C LEU A 108 -4.348 -6.913 -20.524 1.00 34.25 C ATOM 1738 O LEU A 108 -4.446 -6.317 -21.596 1.00 71.21 O ATOM 1739 CB LEU A 108 -2.596 -6.614 -18.764 1.00 22.22 C ATOM 1740 CG LEU A 108 -1.950 -5.749 -17.680 1.00 60.25 C ATOM 1741 CD1 LEU A 108 -0.780 -6.479 -17.042 1.00 23.33 C ATOM 1742 CD2 LEU A 108 -1.498 -4.417 -18.261 1.00 22.13 C ATOM 0 H LEU A 108 -4.667 -7.011 -17.453 1.00 5.13 H new ATOM 0 HA LEU A 108 -3.949 -5.100 -19.465 1.00 34.35 H new ATOM 0 HB2 LEU A 108 -2.678 -7.633 -18.386 1.00 22.22 H new ATOM 0 HB3 LEU A 108 -1.926 -6.645 -19.623 1.00 22.22 H new ATOM 0 HG LEU A 108 -2.693 -5.552 -16.907 1.00 60.25 H new ATOM 0 HD11 LEU A 108 -0.333 -5.848 -16.273 1.00 23.33 H new ATOM 0 HD12 LEU A 108 -1.132 -7.407 -16.591 1.00 23.33 H new ATOM 0 HD13 LEU A 108 -0.034 -6.707 -17.804 1.00 23.33 H new ATOM 0 HD21 LEU A 108 -1.041 -3.814 -17.476 1.00 22.13 H new ATOM 0 HD22 LEU A 108 -0.771 -4.594 -19.053 1.00 22.13 H new ATOM 0 HD23 LEU A 108 -2.359 -3.888 -18.670 1.00 22.13 H new