USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 594 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 23 HIS : no HD1:sc= -1.26 K(o=-0.27,f=-1.2) USER MOD Set 1.2: A 54 CYS SG : rot -11:sc= -0.234 USER MOD Set 1.3: A 55 THR OG1 : rot 87:sc= 1.22 USER MOD Single : A 12 ASN : amide:sc= 0.413 K(o=0.41,f=-7.9!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -12:sc= 0.242 USER MOD Single : A 26 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.021) USER MOD Single : A 27 MET CE :methyl -164:sc= -0.163 (180deg=-0.61) USER MOD Single : A 28 ASN : amide:sc= 0.0739 X(o=0.074,f=-0.27) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.456 USER MOD Single : A 34 ASN : amide:sc= -0.678 K(o=-0.68,f=-11!) USER MOD Single : A 37 LYS NZ :NH3+ 178:sc= 0.538 (180deg=0.459) USER MOD Single : A 42 MET CE :methyl 139:sc= -0.101 (180deg=-1.54) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0554 USER MOD Single : A 51 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0383) USER MOD Single : A 59 MET CE :methyl 150:sc= -1.71 (180deg=-3.57!) USER MOD Single : A 60 TYR OH : rot 70:sc= -0.28 USER MOD Single : A 68 HIS : no HD1:sc= -0.722 K(o=-0.72,f=-0.13) USER MOD Single : A 70 THR OG1 : rot -54:sc= 0.834 USER MOD Single : A 71 GLN : amide:sc= -1.05 K(o=-1,f=-7.1!) USER MOD Single : A 76 MET CE :methyl 143:sc= -0.54 (180deg=-1.71!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 173:sc= -0.444 (180deg=-0.531) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 164 N PRO A 11 3.328 -16.381 -1.157 1.00 31.24 N ATOM 165 CA PRO A 11 4.188 -15.674 -0.196 1.00 42.45 C ATOM 166 C PRO A 11 3.477 -15.421 1.144 1.00 22.50 C ATOM 167 O PRO A 11 2.362 -14.891 1.176 1.00 71.52 O ATOM 168 CB PRO A 11 4.496 -14.350 -0.910 1.00 64.32 C ATOM 169 CG PRO A 11 3.322 -14.123 -1.803 1.00 33.43 C ATOM 170 CD PRO A 11 2.862 -15.492 -2.243 1.00 54.24 C ATOM 0 HA PRO A 11 5.078 -16.248 0.064 1.00 42.45 H new ATOM 0 HB2 PRO A 11 4.616 -13.534 -0.198 1.00 64.32 H new ATOM 0 HB3 PRO A 11 5.422 -14.413 -1.481 1.00 64.32 H new ATOM 0 HG2 PRO A 11 2.527 -13.595 -1.276 1.00 33.43 H new ATOM 0 HG3 PRO A 11 3.597 -13.510 -2.661 1.00 33.43 H new ATOM 0 HD2 PRO A 11 1.779 -15.533 -2.358 1.00 54.24 H new ATOM 0 HD3 PRO A 11 3.295 -15.771 -3.203 1.00 54.24 H new ATOM 178 N ASN A 12 4.118 -15.805 2.248 1.00 55.13 N ATOM 179 CA ASN A 12 3.535 -15.616 3.583 1.00 53.04 C ATOM 180 C ASN A 12 3.383 -14.123 3.929 1.00 61.53 C ATOM 181 O ASN A 12 3.804 -13.247 3.168 1.00 33.14 O ATOM 182 CB ASN A 12 4.372 -16.351 4.647 1.00 72.04 C ATOM 183 CG ASN A 12 5.818 -15.887 4.710 1.00 21.40 C ATOM 184 OD1 ASN A 12 6.122 -14.719 4.524 1.00 72.42 O ATOM 185 ND2 ASN A 12 6.725 -16.808 4.962 1.00 55.22 N ATOM 0 H ASN A 12 5.037 -16.247 2.248 1.00 55.13 H new ATOM 0 HA ASN A 12 2.534 -16.048 3.575 1.00 53.04 H new ATOM 0 HB2 ASN A 12 3.910 -16.207 5.624 1.00 72.04 H new ATOM 0 HB3 ASN A 12 4.351 -17.421 4.439 1.00 72.04 H new ATOM 0 HD21 ASN A 12 7.712 -16.553 5.006 1.00 55.22 H new ATOM 0 HD22 ASN A 12 6.441 -17.776 5.113 1.00 55.22 H new ATOM 192 N GLU A 13 2.783 -13.839 5.082 1.00 63.15 N ATOM 193 CA GLU A 13 2.470 -12.462 5.481 1.00 62.11 C ATOM 194 C GLU A 13 3.723 -11.567 5.537 1.00 12.42 C ATOM 195 O GLU A 13 3.718 -10.452 5.013 1.00 64.54 O ATOM 196 CB GLU A 13 1.749 -12.468 6.831 1.00 11.44 C ATOM 197 CG GLU A 13 1.281 -11.095 7.296 1.00 43.24 C ATOM 198 CD GLU A 13 0.420 -11.180 8.543 1.00 4.10 C ATOM 199 OE1 GLU A 13 0.975 -11.146 9.662 1.00 24.22 O ATOM 200 OE2 GLU A 13 -0.814 -11.302 8.408 1.00 62.41 O ATOM 0 H GLU A 13 2.501 -14.545 5.762 1.00 63.15 H new ATOM 0 HA GLU A 13 1.816 -12.036 4.720 1.00 62.11 H new ATOM 0 HB2 GLU A 13 0.886 -13.131 6.766 1.00 11.44 H new ATOM 0 HB3 GLU A 13 2.416 -12.886 7.585 1.00 11.44 H new ATOM 0 HG2 GLU A 13 2.148 -10.465 7.496 1.00 43.24 H new ATOM 0 HG3 GLU A 13 0.716 -10.615 6.497 1.00 43.24 H new ATOM 207 N GLU A 14 4.788 -12.056 6.163 1.00 31.01 N ATOM 208 CA GLU A 14 6.054 -11.311 6.224 1.00 63.32 C ATOM 209 C GLU A 14 6.633 -11.063 4.821 1.00 42.54 C ATOM 210 O GLU A 14 7.195 -9.998 4.545 1.00 23.34 O ATOM 211 CB GLU A 14 7.077 -12.066 7.082 1.00 42.42 C ATOM 212 CG GLU A 14 6.674 -12.214 8.546 1.00 72.21 C ATOM 213 CD GLU A 14 6.540 -10.875 9.265 1.00 50.34 C ATOM 214 OE1 GLU A 14 7.580 -10.297 9.643 1.00 40.13 O ATOM 215 OE2 GLU A 14 5.398 -10.403 9.461 1.00 42.31 O ATOM 0 H GLU A 14 4.807 -12.960 6.635 1.00 31.01 H new ATOM 0 HA GLU A 14 5.843 -10.343 6.680 1.00 63.32 H new ATOM 0 HB2 GLU A 14 7.231 -13.058 6.657 1.00 42.42 H new ATOM 0 HB3 GLU A 14 8.033 -11.545 7.030 1.00 42.42 H new ATOM 0 HG2 GLU A 14 5.725 -12.748 8.604 1.00 72.21 H new ATOM 0 HG3 GLU A 14 7.415 -12.824 9.061 1.00 72.21 H new ATOM 222 N ALA A 15 6.484 -12.048 3.937 1.00 44.13 N ATOM 223 CA ALA A 15 6.984 -11.944 2.563 1.00 51.31 C ATOM 224 C ALA A 15 6.221 -10.878 1.761 1.00 32.12 C ATOM 225 O ALA A 15 6.829 -10.015 1.129 1.00 22.55 O ATOM 226 CB ALA A 15 6.901 -13.295 1.863 1.00 33.11 C ATOM 0 H ALA A 15 6.019 -12.931 4.147 1.00 44.13 H new ATOM 0 HA ALA A 15 8.028 -11.635 2.614 1.00 51.31 H new ATOM 0 HB1 ALA A 15 7.276 -13.200 0.844 1.00 33.11 H new ATOM 0 HB2 ALA A 15 7.504 -14.023 2.405 1.00 33.11 H new ATOM 0 HB3 ALA A 15 5.864 -13.629 1.838 1.00 33.11 H new ATOM 232 N ARG A 16 4.886 -10.937 1.791 1.00 62.24 N ATOM 233 CA ARG A 16 4.067 -9.937 1.092 1.00 23.31 C ATOM 234 C ARG A 16 4.277 -8.545 1.716 1.00 51.34 C ATOM 235 O ARG A 16 4.283 -7.536 1.014 1.00 42.21 O ATOM 236 CB ARG A 16 2.574 -10.328 1.095 1.00 65.21 C ATOM 237 CG ARG A 16 1.916 -10.338 2.472 1.00 20.53 C ATOM 238 CD ARG A 16 0.465 -10.814 2.404 1.00 0.52 C ATOM 239 NE ARG A 16 -0.201 -10.753 3.706 1.00 74.24 N ATOM 240 CZ ARG A 16 -0.934 -11.715 4.207 1.00 61.21 C ATOM 241 NH1 ARG A 16 -1.083 -12.831 3.569 1.00 23.41 N ATOM 242 NH2 ARG A 16 -1.506 -11.558 5.356 1.00 41.13 N ATOM 0 H ARG A 16 4.354 -11.655 2.283 1.00 62.24 H new ATOM 0 HA ARG A 16 4.390 -9.902 0.051 1.00 23.31 H new ATOM 0 HB2 ARG A 16 2.030 -9.634 0.453 1.00 65.21 H new ATOM 0 HB3 ARG A 16 2.472 -11.319 0.652 1.00 65.21 H new ATOM 0 HG2 ARG A 16 2.481 -10.988 3.140 1.00 20.53 H new ATOM 0 HG3 ARG A 16 1.950 -9.335 2.899 1.00 20.53 H new ATOM 0 HD2 ARG A 16 -0.083 -10.201 1.689 1.00 0.52 H new ATOM 0 HD3 ARG A 16 0.438 -11.838 2.032 1.00 0.52 H new ATOM 0 HE ARG A 16 -0.086 -9.904 4.260 1.00 74.24 H new ATOM 0 HH11 ARG A 16 -0.627 -12.967 2.667 1.00 23.41 H new ATOM 0 HH12 ARG A 16 -1.656 -13.574 3.968 1.00 23.41 H new ATOM 0 HH21 ARG A 16 -1.386 -10.686 5.871 1.00 41.13 H new ATOM 0 HH22 ARG A 16 -2.077 -12.307 5.748 1.00 41.13 H new ATOM 256 N LEU A 17 4.473 -8.512 3.037 1.00 53.40 N ATOM 257 CA LEU A 17 4.829 -7.278 3.750 1.00 32.23 C ATOM 258 C LEU A 17 6.085 -6.628 3.144 1.00 1.35 C ATOM 259 O LEU A 17 6.132 -5.413 2.931 1.00 21.35 O ATOM 260 CB LEU A 17 5.060 -7.592 5.239 1.00 4.13 C ATOM 261 CG LEU A 17 5.739 -6.485 6.067 1.00 15.20 C ATOM 262 CD1 LEU A 17 4.929 -5.195 6.031 1.00 52.24 C ATOM 263 CD2 LEU A 17 5.955 -6.948 7.505 1.00 44.33 C ATOM 0 H LEU A 17 4.391 -9.331 3.640 1.00 53.40 H new ATOM 0 HA LEU A 17 4.005 -6.571 3.650 1.00 32.23 H new ATOM 0 HB2 LEU A 17 4.097 -7.820 5.695 1.00 4.13 H new ATOM 0 HB3 LEU A 17 5.667 -8.494 5.309 1.00 4.13 H new ATOM 0 HG LEU A 17 6.712 -6.279 5.621 1.00 15.20 H new ATOM 0 HD11 LEU A 17 5.433 -4.432 6.624 1.00 52.24 H new ATOM 0 HD12 LEU A 17 4.837 -4.852 5.001 1.00 52.24 H new ATOM 0 HD13 LEU A 17 3.936 -5.377 6.442 1.00 52.24 H new ATOM 0 HD21 LEU A 17 6.436 -6.153 8.075 1.00 44.33 H new ATOM 0 HD22 LEU A 17 4.993 -7.189 7.958 1.00 44.33 H new ATOM 0 HD23 LEU A 17 6.590 -7.834 7.511 1.00 44.33 H new ATOM 275 N ASP A 18 7.096 -7.447 2.862 1.00 32.23 N ATOM 276 CA ASP A 18 8.344 -6.957 2.277 1.00 51.14 C ATOM 277 C ASP A 18 8.107 -6.363 0.878 1.00 14.33 C ATOM 278 O ASP A 18 8.776 -5.413 0.472 1.00 2.24 O ATOM 279 CB ASP A 18 9.374 -8.090 2.216 1.00 40.43 C ATOM 280 CG ASP A 18 10.758 -7.592 1.834 1.00 34.32 C ATOM 281 OD1 ASP A 18 11.422 -6.968 2.686 1.00 23.44 O ATOM 282 OD2 ASP A 18 11.198 -7.841 0.691 1.00 12.32 O ATOM 0 H ASP A 18 7.076 -8.453 3.029 1.00 32.23 H new ATOM 0 HA ASP A 18 8.732 -6.161 2.913 1.00 51.14 H new ATOM 0 HB2 ASP A 18 9.424 -8.585 3.186 1.00 40.43 H new ATOM 0 HB3 ASP A 18 9.047 -8.837 1.493 1.00 40.43 H new ATOM 287 N ILE A 19 7.134 -6.914 0.158 1.00 64.10 N ATOM 288 CA ILE A 19 6.783 -6.412 -1.173 1.00 41.33 C ATOM 289 C ILE A 19 6.227 -4.973 -1.096 1.00 65.12 C ATOM 290 O ILE A 19 6.571 -4.119 -1.921 1.00 53.11 O ATOM 291 CB ILE A 19 5.761 -7.335 -1.884 1.00 2.23 C ATOM 292 CG1 ILE A 19 6.269 -8.789 -1.891 1.00 60.54 C ATOM 293 CG2 ILE A 19 5.509 -6.851 -3.313 1.00 64.44 C ATOM 294 CD1 ILE A 19 5.315 -9.777 -2.534 1.00 62.41 C ATOM 0 H ILE A 19 6.574 -7.707 0.470 1.00 64.10 H new ATOM 0 HA ILE A 19 7.701 -6.404 -1.761 1.00 41.33 H new ATOM 0 HB ILE A 19 4.820 -7.298 -1.336 1.00 2.23 H new ATOM 0 HG12 ILE A 19 7.223 -8.826 -2.418 1.00 60.54 H new ATOM 0 HG13 ILE A 19 6.459 -9.101 -0.864 1.00 60.54 H new ATOM 0 HG21 ILE A 19 4.789 -7.510 -3.799 1.00 64.44 H new ATOM 0 HG22 ILE A 19 5.113 -5.836 -3.289 1.00 64.44 H new ATOM 0 HG23 ILE A 19 6.445 -6.862 -3.871 1.00 64.44 H new ATOM 0 HD11 ILE A 19 5.748 -10.777 -2.498 1.00 62.41 H new ATOM 0 HD12 ILE A 19 4.368 -9.772 -1.995 1.00 62.41 H new ATOM 0 HD13 ILE A 19 5.143 -9.493 -3.572 1.00 62.41 H new ATOM 306 N LEU A 20 5.374 -4.698 -0.102 1.00 43.24 N ATOM 307 CA LEU A 20 4.899 -3.323 0.136 1.00 14.21 C ATOM 308 C LEU A 20 6.076 -2.392 0.468 1.00 32.25 C ATOM 309 O LEU A 20 6.079 -1.217 0.085 1.00 71.51 O ATOM 310 CB LEU A 20 3.848 -3.259 1.262 1.00 63.52 C ATOM 311 CG LEU A 20 2.442 -3.775 0.889 1.00 62.10 C ATOM 312 CD1 LEU A 20 2.387 -5.298 0.891 1.00 5.31 C ATOM 313 CD2 LEU A 20 1.379 -3.192 1.818 1.00 61.51 C ATOM 0 H LEU A 20 5.001 -5.395 0.543 1.00 43.24 H new ATOM 0 HA LEU A 20 4.422 -2.988 -0.785 1.00 14.21 H new ATOM 0 HB2 LEU A 20 4.215 -3.837 2.111 1.00 63.52 H new ATOM 0 HB3 LEU A 20 3.760 -2.225 1.595 1.00 63.52 H new ATOM 0 HG LEU A 20 2.229 -3.437 -0.125 1.00 62.10 H new ATOM 0 HD11 LEU A 20 1.382 -5.626 0.624 1.00 5.31 H new ATOM 0 HD12 LEU A 20 3.101 -5.689 0.166 1.00 5.31 H new ATOM 0 HD13 LEU A 20 2.638 -5.670 1.884 1.00 5.31 H new ATOM 0 HD21 LEU A 20 0.398 -3.572 1.533 1.00 61.51 H new ATOM 0 HD22 LEU A 20 1.596 -3.482 2.846 1.00 61.51 H new ATOM 0 HD23 LEU A 20 1.384 -2.105 1.739 1.00 61.51 H new ATOM 325 N LYS A 21 7.074 -2.921 1.174 1.00 3.41 N ATOM 326 CA LYS A 21 8.311 -2.176 1.443 1.00 74.10 C ATOM 327 C LYS A 21 9.014 -1.800 0.129 1.00 64.44 C ATOM 328 O LYS A 21 9.288 -0.628 -0.125 1.00 1.55 O ATOM 329 CB LYS A 21 9.260 -2.998 2.327 1.00 52.03 C ATOM 330 CG LYS A 21 8.697 -3.336 3.704 1.00 34.33 C ATOM 331 CD LYS A 21 9.644 -4.242 4.485 1.00 11.20 C ATOM 332 CE LYS A 21 9.091 -4.591 5.860 1.00 52.22 C ATOM 333 NZ LYS A 21 9.949 -5.578 6.562 1.00 15.03 N ATOM 0 H LYS A 21 7.054 -3.860 1.571 1.00 3.41 H new ATOM 0 HA LYS A 21 8.044 -1.262 1.973 1.00 74.10 H new ATOM 0 HB2 LYS A 21 9.507 -3.925 1.810 1.00 52.03 H new ATOM 0 HB3 LYS A 21 10.191 -2.445 2.453 1.00 52.03 H new ATOM 0 HG2 LYS A 21 8.525 -2.417 4.264 1.00 34.33 H new ATOM 0 HG3 LYS A 21 7.730 -3.827 3.593 1.00 34.33 H new ATOM 0 HD2 LYS A 21 9.818 -5.158 3.920 1.00 11.20 H new ATOM 0 HD3 LYS A 21 10.609 -3.748 4.597 1.00 11.20 H new ATOM 0 HE2 LYS A 21 9.012 -3.685 6.461 1.00 52.22 H new ATOM 0 HE3 LYS A 21 8.083 -4.994 5.756 1.00 52.22 H new ATOM 0 HZ1 LYS A 21 9.541 -5.791 7.495 1.00 15.03 H new ATOM 0 HZ2 LYS A 21 10.004 -6.451 6.000 1.00 15.03 H new ATOM 0 HZ3 LYS A 21 10.904 -5.184 6.684 1.00 15.03 H new ATOM 347 N ILE A 22 9.266 -2.802 -0.714 1.00 63.11 N ATOM 348 CA ILE A 22 9.928 -2.600 -2.012 1.00 72.53 C ATOM 349 C ILE A 22 9.283 -1.452 -2.817 1.00 62.24 C ATOM 350 O ILE A 22 9.976 -0.670 -3.475 1.00 70.13 O ATOM 351 CB ILE A 22 9.885 -3.902 -2.854 1.00 61.21 C ATOM 352 CG1 ILE A 22 10.577 -5.054 -2.105 1.00 23.12 C ATOM 353 CG2 ILE A 22 10.530 -3.690 -4.223 1.00 43.51 C ATOM 354 CD1 ILE A 22 10.476 -6.393 -2.809 1.00 21.22 C ATOM 0 H ILE A 22 9.020 -3.773 -0.522 1.00 63.11 H new ATOM 0 HA ILE A 22 10.963 -2.331 -1.802 1.00 72.53 H new ATOM 0 HB ILE A 22 8.840 -4.169 -3.009 1.00 61.21 H new ATOM 0 HG12 ILE A 22 11.629 -4.805 -1.968 1.00 23.12 H new ATOM 0 HG13 ILE A 22 10.139 -5.143 -1.111 1.00 23.12 H new ATOM 0 HG21 ILE A 22 10.487 -4.618 -4.793 1.00 43.51 H new ATOM 0 HG22 ILE A 22 9.994 -2.908 -4.761 1.00 43.51 H new ATOM 0 HG23 ILE A 22 11.570 -3.392 -4.093 1.00 43.51 H new ATOM 0 HD11 ILE A 22 10.988 -7.154 -2.219 1.00 21.22 H new ATOM 0 HD12 ILE A 22 9.427 -6.666 -2.922 1.00 21.22 H new ATOM 0 HD13 ILE A 22 10.941 -6.323 -3.792 1.00 21.22 H new ATOM 366 N HIS A 23 7.958 -1.348 -2.751 1.00 41.12 N ATOM 367 CA HIS A 23 7.236 -0.280 -3.458 1.00 51.43 C ATOM 368 C HIS A 23 7.290 1.063 -2.700 1.00 63.05 C ATOM 369 O HIS A 23 7.447 2.120 -3.311 1.00 64.43 O ATOM 370 CB HIS A 23 5.782 -0.697 -3.712 1.00 73.24 C ATOM 371 CG HIS A 23 5.643 -1.747 -4.775 1.00 32.51 C ATOM 372 ND1 HIS A 23 5.463 -1.447 -6.109 1.00 2.12 N ATOM 373 CD2 HIS A 23 5.669 -3.100 -4.702 1.00 12.43 C ATOM 374 CE1 HIS A 23 5.383 -2.562 -6.804 1.00 2.43 C ATOM 375 NE2 HIS A 23 5.505 -3.580 -5.978 1.00 11.21 N ATOM 0 H HIS A 23 7.361 -1.983 -2.221 1.00 41.12 H new ATOM 0 HA HIS A 23 7.736 -0.128 -4.414 1.00 51.43 H new ATOM 0 HB2 HIS A 23 5.351 -1.071 -2.783 1.00 73.24 H new ATOM 0 HB3 HIS A 23 5.205 0.181 -4.001 1.00 73.24 H new ATOM 0 HD2 HIS A 23 5.795 -3.691 -3.807 1.00 12.43 H new ATOM 0 HE1 HIS A 23 5.241 -2.630 -7.872 1.00 2.43 H new ATOM 0 HE2 HIS A 23 5.482 -4.565 -6.243 1.00 11.21 H new ATOM 384 N SER A 24 7.182 1.019 -1.372 1.00 64.33 N ATOM 385 CA SER A 24 7.199 2.248 -0.553 1.00 34.10 C ATOM 386 C SER A 24 8.591 2.901 -0.522 1.00 30.14 C ATOM 387 O SER A 24 8.730 4.067 -0.155 1.00 25.43 O ATOM 388 CB SER A 24 6.729 1.956 0.881 1.00 30.11 C ATOM 389 OG SER A 24 7.545 0.985 1.515 1.00 31.01 O ATOM 0 H SER A 24 7.082 0.157 -0.837 1.00 64.33 H new ATOM 0 HA SER A 24 6.509 2.950 -1.021 1.00 34.10 H new ATOM 0 HB2 SER A 24 6.742 2.878 1.463 1.00 30.11 H new ATOM 0 HB3 SER A 24 5.697 1.606 0.861 1.00 30.11 H new ATOM 0 HG SER A 24 8.125 0.560 0.849 1.00 31.01 H new ATOM 395 N ARG A 25 9.613 2.150 -0.936 1.00 11.32 N ATOM 396 CA ARG A 25 10.995 2.657 -0.977 1.00 2.42 C ATOM 397 C ARG A 25 11.203 3.746 -2.059 1.00 31.31 C ATOM 398 O ARG A 25 12.335 4.166 -2.307 1.00 12.40 O ATOM 399 CB ARG A 25 11.977 1.488 -1.195 1.00 34.12 C ATOM 400 CG ARG A 25 12.034 0.514 -0.020 1.00 64.22 C ATOM 401 CD ARG A 25 12.828 -0.751 -0.344 1.00 45.43 C ATOM 402 NE ARG A 25 12.728 -1.748 0.730 1.00 3.13 N ATOM 403 CZ ARG A 25 13.105 -2.999 0.628 1.00 31.11 C ATOM 404 NH1 ARG A 25 13.675 -3.435 -0.455 1.00 42.25 N ATOM 405 NH2 ARG A 25 12.948 -3.801 1.630 1.00 62.02 N ATOM 0 H ARG A 25 9.514 1.185 -1.250 1.00 11.32 H new ATOM 0 HA ARG A 25 11.193 3.130 -0.015 1.00 2.42 H new ATOM 0 HB2 ARG A 25 11.688 0.944 -2.094 1.00 34.12 H new ATOM 0 HB3 ARG A 25 12.975 1.890 -1.372 1.00 34.12 H new ATOM 0 HG2 ARG A 25 12.485 1.012 0.838 1.00 64.22 H new ATOM 0 HG3 ARG A 25 11.020 0.238 0.268 1.00 64.22 H new ATOM 0 HD2 ARG A 25 12.461 -1.182 -1.275 1.00 45.43 H new ATOM 0 HD3 ARG A 25 13.875 -0.492 -0.503 1.00 45.43 H new ATOM 0 HE ARG A 25 12.336 -1.444 1.621 1.00 3.13 H new ATOM 0 HH11 ARG A 25 13.834 -2.801 -1.238 1.00 42.25 H new ATOM 0 HH12 ARG A 25 13.964 -4.411 -0.522 1.00 42.25 H new ATOM 0 HH21 ARG A 25 12.532 -3.459 2.496 1.00 62.02 H new ATOM 0 HH22 ARG A 25 13.240 -4.775 1.554 1.00 62.02 H new ATOM 419 N LYS A 26 10.121 4.195 -2.705 1.00 61.13 N ATOM 420 CA LYS A 26 10.186 5.328 -3.651 1.00 60.12 C ATOM 421 C LYS A 26 9.368 6.543 -3.172 1.00 33.40 C ATOM 422 O LYS A 26 9.486 7.636 -3.734 1.00 51.22 O ATOM 423 CB LYS A 26 9.665 4.922 -5.039 1.00 14.32 C ATOM 424 CG LYS A 26 10.606 4.035 -5.846 1.00 53.12 C ATOM 425 CD LYS A 26 10.127 3.902 -7.292 1.00 21.52 C ATOM 426 CE LYS A 26 11.088 3.089 -8.147 1.00 43.44 C ATOM 427 NZ LYS A 26 11.173 1.674 -7.706 1.00 41.10 N ATOM 0 H LYS A 26 9.189 3.796 -2.594 1.00 61.13 H new ATOM 0 HA LYS A 26 11.238 5.607 -3.706 1.00 60.12 H new ATOM 0 HB2 LYS A 26 8.715 4.401 -4.916 1.00 14.32 H new ATOM 0 HB3 LYS A 26 9.461 5.826 -5.613 1.00 14.32 H new ATOM 0 HG2 LYS A 26 11.612 4.455 -5.829 1.00 53.12 H new ATOM 0 HG3 LYS A 26 10.665 3.048 -5.386 1.00 53.12 H new ATOM 0 HD2 LYS A 26 9.145 3.430 -7.305 1.00 21.52 H new ATOM 0 HD3 LYS A 26 10.009 4.895 -7.726 1.00 21.52 H new ATOM 0 HE2 LYS A 26 10.765 3.125 -9.187 1.00 43.44 H new ATOM 0 HE3 LYS A 26 12.079 3.541 -8.106 1.00 43.44 H new ATOM 0 HZ1 LYS A 26 11.786 1.144 -8.358 1.00 41.10 H new ATOM 0 HZ2 LYS A 26 11.571 1.633 -6.746 1.00 41.10 H new ATOM 0 HZ3 LYS A 26 10.222 1.253 -7.705 1.00 41.10 H new ATOM 441 N MET A 27 8.536 6.356 -2.149 1.00 55.15 N ATOM 442 CA MET A 27 7.570 7.393 -1.753 1.00 51.02 C ATOM 443 C MET A 27 7.734 7.831 -0.289 1.00 63.21 C ATOM 444 O MET A 27 8.355 7.139 0.519 1.00 22.20 O ATOM 445 CB MET A 27 6.138 6.887 -1.985 1.00 10.04 C ATOM 446 CG MET A 27 5.847 6.503 -3.430 1.00 33.33 C ATOM 447 SD MET A 27 4.144 5.962 -3.684 1.00 24.23 S ATOM 448 CE MET A 27 4.048 4.557 -2.573 1.00 5.45 C ATOM 0 H MET A 27 8.506 5.509 -1.582 1.00 55.15 H new ATOM 0 HA MET A 27 7.767 8.267 -2.374 1.00 51.02 H new ATOM 0 HB2 MET A 27 5.961 6.022 -1.346 1.00 10.04 H new ATOM 0 HB3 MET A 27 5.435 7.661 -1.676 1.00 10.04 H new ATOM 0 HG2 MET A 27 6.052 7.357 -4.076 1.00 33.33 H new ATOM 0 HG3 MET A 27 6.525 5.705 -3.732 1.00 33.33 H new ATOM 0 HE1 MET A 27 3.174 3.955 -2.822 1.00 5.45 H new ATOM 0 HE2 MET A 27 4.948 3.950 -2.675 1.00 5.45 H new ATOM 0 HE3 MET A 27 3.964 4.911 -1.545 1.00 5.45 H new ATOM 458 N ASN A 28 7.162 8.989 0.033 1.00 11.20 N ATOM 459 CA ASN A 28 7.169 9.518 1.402 1.00 61.41 C ATOM 460 C ASN A 28 6.067 8.858 2.244 1.00 21.40 C ATOM 461 O ASN A 28 4.890 8.924 1.895 1.00 53.41 O ATOM 462 CB ASN A 28 6.949 11.036 1.375 1.00 34.44 C ATOM 463 CG ASN A 28 7.990 11.769 0.548 1.00 52.34 C ATOM 464 OD1 ASN A 28 9.158 11.394 0.506 1.00 53.21 O ATOM 465 ND2 ASN A 28 7.574 12.819 -0.129 1.00 35.31 N ATOM 0 H ASN A 28 6.682 9.587 -0.640 1.00 11.20 H new ATOM 0 HA ASN A 28 8.137 9.295 1.852 1.00 61.41 H new ATOM 0 HB2 ASN A 28 5.958 11.247 0.973 1.00 34.44 H new ATOM 0 HB3 ASN A 28 6.967 11.419 2.395 1.00 34.44 H new ATOM 0 HD21 ASN A 28 8.229 13.345 -0.708 1.00 35.31 H new ATOM 0 HD22 ASN A 28 6.597 13.107 -0.074 1.00 35.31 H new ATOM 472 N LEU A 29 6.443 8.223 3.349 1.00 73.31 N ATOM 473 CA LEU A 29 5.471 7.560 4.226 1.00 3.11 C ATOM 474 C LEU A 29 5.021 8.480 5.370 1.00 24.31 C ATOM 475 O LEU A 29 5.683 9.470 5.686 1.00 22.51 O ATOM 476 CB LEU A 29 6.073 6.266 4.793 1.00 42.03 C ATOM 477 CG LEU A 29 6.484 5.217 3.741 1.00 3.23 C ATOM 478 CD1 LEU A 29 7.046 3.963 4.410 1.00 73.52 C ATOM 479 CD2 LEU A 29 5.303 4.869 2.834 1.00 30.11 C ATOM 0 H LEU A 29 7.411 8.151 3.662 1.00 73.31 H new ATOM 0 HA LEU A 29 4.591 7.319 3.629 1.00 3.11 H new ATOM 0 HB2 LEU A 29 6.949 6.522 5.389 1.00 42.03 H new ATOM 0 HB3 LEU A 29 5.349 5.813 5.470 1.00 42.03 H new ATOM 0 HG LEU A 29 7.271 5.648 3.123 1.00 3.23 H new ATOM 0 HD11 LEU A 29 7.328 3.239 3.646 1.00 73.52 H new ATOM 0 HD12 LEU A 29 7.923 4.228 5.001 1.00 73.52 H new ATOM 0 HD13 LEU A 29 6.288 3.527 5.061 1.00 73.52 H new ATOM 0 HD21 LEU A 29 5.615 4.127 2.099 1.00 30.11 H new ATOM 0 HD22 LEU A 29 4.489 4.464 3.436 1.00 30.11 H new ATOM 0 HD23 LEU A 29 4.962 5.768 2.320 1.00 30.11 H new ATOM 491 N THR A 30 3.879 8.152 5.972 1.00 33.02 N ATOM 492 CA THR A 30 3.342 8.915 7.112 1.00 50.22 C ATOM 493 C THR A 30 3.941 8.451 8.450 1.00 0.21 C ATOM 494 O THR A 30 4.635 7.432 8.519 1.00 12.25 O ATOM 495 CB THR A 30 1.797 8.794 7.197 1.00 64.45 C ATOM 496 OG1 THR A 30 1.289 9.542 8.314 1.00 63.02 O ATOM 497 CG2 THR A 30 1.371 7.340 7.339 1.00 3.32 C ATOM 0 H THR A 30 3.301 7.360 5.692 1.00 33.02 H new ATOM 0 HA THR A 30 3.621 9.954 6.937 1.00 50.22 H new ATOM 0 HB THR A 30 1.387 9.199 6.272 1.00 64.45 H new ATOM 0 HG1 THR A 30 0.314 9.455 8.350 1.00 63.02 H new ATOM 0 HG21 THR A 30 0.284 7.283 7.396 1.00 3.32 H new ATOM 0 HG22 THR A 30 1.719 6.773 6.476 1.00 3.32 H new ATOM 0 HG23 THR A 30 1.805 6.921 8.247 1.00 3.32 H new ATOM 505 N ARG A 31 3.671 9.206 9.510 1.00 2.13 N ATOM 506 CA ARG A 31 4.108 8.839 10.863 1.00 14.11 C ATOM 507 C ARG A 31 3.236 7.703 11.432 1.00 21.43 C ATOM 508 O ARG A 31 2.015 7.843 11.539 1.00 22.04 O ATOM 509 CB ARG A 31 4.040 10.062 11.797 1.00 32.23 C ATOM 510 CG ARG A 31 5.236 11.018 11.724 1.00 3.43 C ATOM 511 CD ARG A 31 5.520 11.534 10.312 1.00 41.43 C ATOM 512 NE ARG A 31 6.447 10.671 9.579 1.00 35.32 N ATOM 513 CZ ARG A 31 6.632 10.723 8.286 1.00 10.44 C ATOM 514 NH1 ARG A 31 5.919 11.515 7.550 1.00 3.51 N ATOM 515 NH2 ARG A 31 7.523 9.973 7.727 1.00 64.22 N ATOM 0 H ARG A 31 3.149 10.081 9.463 1.00 2.13 H new ATOM 0 HA ARG A 31 5.139 8.491 10.801 1.00 14.11 H new ATOM 0 HB2 ARG A 31 3.135 10.623 11.566 1.00 32.23 H new ATOM 0 HB3 ARG A 31 3.943 9.708 12.823 1.00 32.23 H new ATOM 0 HG2 ARG A 31 5.053 11.867 12.382 1.00 3.43 H new ATOM 0 HG3 ARG A 31 6.122 10.508 12.101 1.00 3.43 H new ATOM 0 HD2 ARG A 31 4.583 11.608 9.760 1.00 41.43 H new ATOM 0 HD3 ARG A 31 5.935 12.540 10.372 1.00 41.43 H new ATOM 0 HE ARG A 31 6.983 9.985 10.111 1.00 35.32 H new ATOM 0 HH11 ARG A 31 5.206 12.105 7.978 1.00 3.51 H new ATOM 0 HH12 ARG A 31 6.071 11.549 6.542 1.00 3.51 H new ATOM 0 HH21 ARG A 31 8.084 9.338 8.295 1.00 64.22 H new ATOM 0 HH22 ARG A 31 7.665 10.016 6.718 1.00 64.22 H new ATOM 529 N GLY A 32 3.867 6.587 11.793 1.00 41.15 N ATOM 530 CA GLY A 32 3.133 5.451 12.350 1.00 63.11 C ATOM 531 C GLY A 32 2.359 4.659 11.295 1.00 5.32 C ATOM 532 O GLY A 32 1.180 4.346 11.479 1.00 23.50 O ATOM 0 H GLY A 32 4.874 6.445 11.711 1.00 41.15 H new ATOM 0 HA2 GLY A 32 3.834 4.785 12.853 1.00 63.11 H new ATOM 0 HA3 GLY A 32 2.437 5.812 13.107 1.00 63.11 H new ATOM 536 N ILE A 33 3.023 4.335 10.187 1.00 14.55 N ATOM 537 CA ILE A 33 2.393 3.579 9.097 1.00 32.21 C ATOM 538 C ILE A 33 2.712 2.075 9.192 1.00 71.21 C ATOM 539 O ILE A 33 3.824 1.634 8.898 1.00 31.23 O ATOM 540 CB ILE A 33 2.822 4.137 7.711 1.00 12.31 C ATOM 541 CG1 ILE A 33 2.159 3.343 6.572 1.00 62.12 C ATOM 542 CG2 ILE A 33 4.345 4.146 7.562 1.00 35.23 C ATOM 543 CD1 ILE A 33 2.466 3.883 5.193 1.00 63.25 C ATOM 0 H ILE A 33 3.998 4.583 10.017 1.00 14.55 H new ATOM 0 HA ILE A 33 1.315 3.700 9.201 1.00 32.21 H new ATOM 0 HB ILE A 33 2.479 5.170 7.647 1.00 12.31 H new ATOM 0 HG12 ILE A 33 2.486 2.305 6.627 1.00 62.12 H new ATOM 0 HG13 ILE A 33 1.079 3.345 6.721 1.00 62.12 H new ATOM 0 HG21 ILE A 33 4.612 4.542 6.582 1.00 35.23 H new ATOM 0 HG22 ILE A 33 4.783 4.773 8.338 1.00 35.23 H new ATOM 0 HG23 ILE A 33 4.726 3.129 7.659 1.00 35.23 H new ATOM 0 HD11 ILE A 33 1.964 3.272 4.443 1.00 63.25 H new ATOM 0 HD12 ILE A 33 2.113 4.912 5.118 1.00 63.25 H new ATOM 0 HD13 ILE A 33 3.542 3.855 5.023 1.00 63.25 H new ATOM 555 N ASN A 34 1.733 1.285 9.622 1.00 73.13 N ATOM 556 CA ASN A 34 1.925 -0.161 9.768 1.00 13.23 C ATOM 557 C ASN A 34 1.674 -0.885 8.432 1.00 54.34 C ATOM 558 O ASN A 34 0.550 -1.302 8.137 1.00 73.41 O ATOM 559 CB ASN A 34 0.996 -0.715 10.857 1.00 13.11 C ATOM 560 CG ASN A 34 1.301 -2.158 11.221 1.00 25.43 C ATOM 561 OD1 ASN A 34 1.877 -2.909 10.439 1.00 22.01 O ATOM 562 ND2 ASN A 34 0.897 -2.570 12.401 1.00 62.12 N ATOM 0 H ASN A 34 0.802 1.616 9.875 1.00 73.13 H new ATOM 0 HA ASN A 34 2.959 -0.340 10.064 1.00 13.23 H new ATOM 0 HB2 ASN A 34 1.082 -0.095 11.750 1.00 13.11 H new ATOM 0 HB3 ASN A 34 -0.037 -0.643 10.517 1.00 13.11 H new ATOM 0 HD21 ASN A 34 1.060 -3.535 12.687 1.00 62.12 H new ATOM 0 HD22 ASN A 34 0.421 -1.924 13.031 1.00 62.12 H new ATOM 569 N LEU A 35 2.723 -1.020 7.623 1.00 43.43 N ATOM 570 CA LEU A 35 2.621 -1.705 6.326 1.00 51.22 C ATOM 571 C LEU A 35 2.076 -3.139 6.471 1.00 22.33 C ATOM 572 O LEU A 35 1.432 -3.666 5.563 1.00 52.14 O ATOM 573 CB LEU A 35 3.993 -1.733 5.634 1.00 3.23 C ATOM 574 CG LEU A 35 4.585 -0.357 5.284 1.00 63.14 C ATOM 575 CD1 LEU A 35 5.975 -0.511 4.670 1.00 61.51 C ATOM 576 CD2 LEU A 35 3.657 0.406 4.337 1.00 53.13 C ATOM 0 H LEU A 35 3.655 -0.666 7.838 1.00 43.43 H new ATOM 0 HA LEU A 35 1.914 -1.144 5.715 1.00 51.22 H new ATOM 0 HB2 LEU A 35 4.696 -2.258 6.280 1.00 3.23 H new ATOM 0 HB3 LEU A 35 3.906 -2.316 4.717 1.00 3.23 H new ATOM 0 HG LEU A 35 4.679 0.219 6.205 1.00 63.14 H new ATOM 0 HD11 LEU A 35 6.377 0.473 4.429 1.00 61.51 H new ATOM 0 HD12 LEU A 35 6.634 -1.008 5.382 1.00 61.51 H new ATOM 0 HD13 LEU A 35 5.907 -1.108 3.760 1.00 61.51 H new ATOM 0 HD21 LEU A 35 4.095 1.376 4.102 1.00 53.13 H new ATOM 0 HD22 LEU A 35 3.526 -0.165 3.418 1.00 53.13 H new ATOM 0 HD23 LEU A 35 2.688 0.551 4.815 1.00 53.13 H new ATOM 588 N ARG A 36 2.331 -3.766 7.618 1.00 70.23 N ATOM 589 CA ARG A 36 1.843 -5.124 7.873 1.00 33.21 C ATOM 590 C ARG A 36 0.324 -5.135 8.079 1.00 1.02 C ATOM 591 O ARG A 36 -0.365 -6.004 7.556 1.00 74.44 O ATOM 592 CB ARG A 36 2.545 -5.737 9.087 1.00 55.40 C ATOM 593 CG ARG A 36 2.097 -7.165 9.387 1.00 54.54 C ATOM 594 CD ARG A 36 2.827 -7.743 10.590 1.00 32.15 C ATOM 595 NE ARG A 36 2.324 -9.063 10.952 1.00 64.54 N ATOM 596 CZ ARG A 36 2.713 -9.730 12.002 1.00 41.13 C ATOM 597 NH1 ARG A 36 3.633 -9.259 12.782 1.00 55.12 N ATOM 598 NH2 ARG A 36 2.189 -10.883 12.256 1.00 63.21 N ATOM 0 H ARG A 36 2.870 -3.360 8.383 1.00 70.23 H new ATOM 0 HA ARG A 36 2.075 -5.728 6.996 1.00 33.21 H new ATOM 0 HB2 ARG A 36 3.622 -5.730 8.917 1.00 55.40 H new ATOM 0 HB3 ARG A 36 2.356 -5.113 9.961 1.00 55.40 H new ATOM 0 HG2 ARG A 36 1.023 -7.178 9.572 1.00 54.54 H new ATOM 0 HG3 ARG A 36 2.278 -7.794 8.515 1.00 54.54 H new ATOM 0 HD2 ARG A 36 3.893 -7.809 10.370 1.00 32.15 H new ATOM 0 HD3 ARG A 36 2.718 -7.068 11.439 1.00 32.15 H new ATOM 0 HE ARG A 36 1.624 -9.491 10.346 1.00 64.54 H new ATOM 0 HH11 ARG A 36 4.062 -8.356 12.578 1.00 55.12 H new ATOM 0 HH12 ARG A 36 3.929 -9.791 13.601 1.00 55.12 H new ATOM 0 HH21 ARG A 36 1.475 -11.266 11.636 1.00 63.21 H new ATOM 0 HH22 ARG A 36 2.489 -11.410 13.076 1.00 63.21 H new ATOM 612 N LYS A 37 -0.191 -4.163 8.835 1.00 50.51 N ATOM 613 CA LYS A 37 -1.642 -4.022 9.042 1.00 75.30 C ATOM 614 C LYS A 37 -2.374 -3.980 7.696 1.00 11.41 C ATOM 615 O LYS A 37 -3.474 -4.515 7.549 1.00 41.21 O ATOM 616 CB LYS A 37 -1.930 -2.755 9.870 1.00 42.24 C ATOM 617 CG LYS A 37 -3.398 -2.529 10.232 1.00 3.45 C ATOM 618 CD LYS A 37 -4.136 -1.689 9.185 1.00 33.42 C ATOM 619 CE LYS A 37 -5.510 -1.262 9.685 1.00 34.32 C ATOM 620 NZ LYS A 37 -6.209 -0.364 8.724 1.00 14.23 N ATOM 0 H LYS A 37 0.371 -3.460 9.315 1.00 50.51 H new ATOM 0 HA LYS A 37 -2.010 -4.887 9.594 1.00 75.30 H new ATOM 0 HB2 LYS A 37 -1.349 -2.804 10.791 1.00 42.24 H new ATOM 0 HB3 LYS A 37 -1.573 -1.889 9.313 1.00 42.24 H new ATOM 0 HG2 LYS A 37 -3.896 -3.493 10.337 1.00 3.45 H new ATOM 0 HG3 LYS A 37 -3.458 -2.032 11.200 1.00 3.45 H new ATOM 0 HD2 LYS A 37 -3.545 -0.806 8.942 1.00 33.42 H new ATOM 0 HD3 LYS A 37 -4.244 -2.264 8.265 1.00 33.42 H new ATOM 0 HE2 LYS A 37 -6.121 -2.147 9.861 1.00 34.32 H new ATOM 0 HE3 LYS A 37 -5.403 -0.753 10.643 1.00 34.32 H new ATOM 0 HZ1 LYS A 37 -7.152 -0.128 9.093 1.00 14.23 H new ATOM 0 HZ2 LYS A 37 -5.657 0.509 8.600 1.00 14.23 H new ATOM 0 HZ3 LYS A 37 -6.306 -0.845 7.807 1.00 14.23 H new ATOM 634 N ILE A 38 -1.740 -3.345 6.717 1.00 54.04 N ATOM 635 CA ILE A 38 -2.243 -3.331 5.344 1.00 34.12 C ATOM 636 C ILE A 38 -2.180 -4.739 4.731 1.00 70.50 C ATOM 637 O ILE A 38 -3.159 -5.232 4.170 1.00 71.12 O ATOM 638 CB ILE A 38 -1.422 -2.352 4.469 1.00 1.11 C ATOM 639 CG1 ILE A 38 -1.384 -0.959 5.118 1.00 51.42 C ATOM 640 CG2 ILE A 38 -1.990 -2.274 3.053 1.00 43.01 C ATOM 641 CD1 ILE A 38 -2.754 -0.355 5.357 1.00 2.02 C ATOM 0 H ILE A 38 -0.870 -2.829 6.848 1.00 54.04 H new ATOM 0 HA ILE A 38 -3.281 -2.998 5.372 1.00 34.12 H new ATOM 0 HB ILE A 38 -0.402 -2.730 4.399 1.00 1.11 H new ATOM 0 HG12 ILE A 38 -0.857 -1.027 6.069 1.00 51.42 H new ATOM 0 HG13 ILE A 38 -0.808 -0.288 4.481 1.00 51.42 H new ATOM 0 HG21 ILE A 38 -1.395 -1.580 2.460 1.00 43.01 H new ATOM 0 HG22 ILE A 38 -1.959 -3.262 2.594 1.00 43.01 H new ATOM 0 HG23 ILE A 38 -3.022 -1.925 3.094 1.00 43.01 H new ATOM 0 HD11 ILE A 38 -2.643 0.627 5.817 1.00 2.02 H new ATOM 0 HD12 ILE A 38 -3.278 -0.254 4.406 1.00 2.02 H new ATOM 0 HD13 ILE A 38 -3.327 -1.004 6.020 1.00 2.02 H new ATOM 653 N ALA A 39 -1.020 -5.385 4.867 1.00 75.31 N ATOM 654 CA ALA A 39 -0.808 -6.742 4.349 1.00 21.01 C ATOM 655 C ALA A 39 -1.752 -7.771 4.998 1.00 44.05 C ATOM 656 O ALA A 39 -2.101 -8.776 4.382 1.00 44.20 O ATOM 657 CB ALA A 39 0.647 -7.160 4.546 1.00 1.03 C ATOM 0 H ALA A 39 -0.206 -4.988 5.335 1.00 75.31 H new ATOM 0 HA ALA A 39 -1.039 -6.721 3.284 1.00 21.01 H new ATOM 0 HB1 ALA A 39 0.792 -8.168 4.158 1.00 1.03 H new ATOM 0 HB2 ALA A 39 1.300 -6.469 4.013 1.00 1.03 H new ATOM 0 HB3 ALA A 39 0.890 -7.142 5.608 1.00 1.03 H new ATOM 663 N GLU A 40 -2.150 -7.525 6.247 1.00 3.21 N ATOM 664 CA GLU A 40 -3.070 -8.421 6.965 1.00 51.14 C ATOM 665 C GLU A 40 -4.488 -8.349 6.382 1.00 64.44 C ATOM 666 O GLU A 40 -5.279 -9.284 6.517 1.00 13.43 O ATOM 667 CB GLU A 40 -3.101 -8.074 8.461 1.00 23.24 C ATOM 668 CG GLU A 40 -1.754 -8.248 9.161 1.00 20.31 C ATOM 669 CD GLU A 40 -1.822 -7.961 10.650 1.00 54.20 C ATOM 670 OE1 GLU A 40 -2.122 -8.893 11.427 1.00 53.42 O ATOM 671 OE2 GLU A 40 -1.582 -6.802 11.053 1.00 34.13 O ATOM 0 H GLU A 40 -1.851 -6.713 6.787 1.00 3.21 H new ATOM 0 HA GLU A 40 -2.702 -9.440 6.842 1.00 51.14 H new ATOM 0 HB2 GLU A 40 -3.431 -7.042 8.579 1.00 23.24 H new ATOM 0 HB3 GLU A 40 -3.841 -8.703 8.955 1.00 23.24 H new ATOM 0 HG2 GLU A 40 -1.400 -9.267 9.008 1.00 20.31 H new ATOM 0 HG3 GLU A 40 -1.022 -7.584 8.701 1.00 20.31 H new ATOM 678 N LEU A 41 -4.798 -7.233 5.727 1.00 12.40 N ATOM 679 CA LEU A 41 -6.091 -7.050 5.059 1.00 55.15 C ATOM 680 C LEU A 41 -6.083 -7.685 3.656 1.00 20.43 C ATOM 681 O LEU A 41 -7.070 -7.609 2.921 1.00 52.24 O ATOM 682 CB LEU A 41 -6.420 -5.552 4.958 1.00 14.53 C ATOM 683 CG LEU A 41 -6.501 -4.809 6.302 1.00 24.33 C ATOM 684 CD1 LEU A 41 -6.750 -3.318 6.085 1.00 64.13 C ATOM 685 CD2 LEU A 41 -7.587 -5.412 7.189 1.00 35.32 C ATOM 0 H LEU A 41 -4.169 -6.435 5.642 1.00 12.40 H new ATOM 0 HA LEU A 41 -6.857 -7.548 5.653 1.00 55.15 H new ATOM 0 HB2 LEU A 41 -5.662 -5.071 4.340 1.00 14.53 H new ATOM 0 HB3 LEU A 41 -7.373 -5.439 4.440 1.00 14.53 H new ATOM 0 HG LEU A 41 -5.543 -4.923 6.809 1.00 24.33 H new ATOM 0 HD11 LEU A 41 -6.803 -2.814 7.050 1.00 64.13 H new ATOM 0 HD12 LEU A 41 -5.934 -2.894 5.499 1.00 64.13 H new ATOM 0 HD13 LEU A 41 -7.690 -3.180 5.551 1.00 64.13 H new ATOM 0 HD21 LEU A 41 -7.627 -4.871 8.134 1.00 35.32 H new ATOM 0 HD22 LEU A 41 -8.551 -5.336 6.687 1.00 35.32 H new ATOM 0 HD23 LEU A 41 -7.360 -6.461 7.380 1.00 35.32 H new ATOM 697 N MET A 42 -4.960 -8.307 3.293 1.00 1.21 N ATOM 698 CA MET A 42 -4.809 -8.963 1.989 1.00 61.13 C ATOM 699 C MET A 42 -4.728 -10.497 2.146 1.00 13.11 C ATOM 700 O MET A 42 -3.638 -11.065 2.259 1.00 23.53 O ATOM 701 CB MET A 42 -3.549 -8.434 1.284 1.00 34.04 C ATOM 702 CG MET A 42 -3.507 -6.915 1.155 1.00 2.51 C ATOM 703 SD MET A 42 -1.993 -6.320 0.377 1.00 4.22 S ATOM 704 CE MET A 42 -2.110 -7.077 -1.240 1.00 54.35 C ATOM 0 H MET A 42 -4.134 -8.371 3.888 1.00 1.21 H new ATOM 0 HA MET A 42 -5.685 -8.732 1.383 1.00 61.13 H new ATOM 0 HB2 MET A 42 -2.669 -8.767 1.835 1.00 34.04 H new ATOM 0 HB3 MET A 42 -3.488 -8.875 0.289 1.00 34.04 H new ATOM 0 HG2 MET A 42 -4.365 -6.581 0.572 1.00 2.51 H new ATOM 0 HG3 MET A 42 -3.601 -6.468 2.145 1.00 2.51 H new ATOM 0 HE1 MET A 42 -1.790 -6.364 -2.000 1.00 54.35 H new ATOM 0 HE2 MET A 42 -1.469 -7.958 -1.277 1.00 54.35 H new ATOM 0 HE3 MET A 42 -3.142 -7.371 -1.430 1.00 54.35 H new ATOM 714 N PRO A 43 -5.887 -11.188 2.168 1.00 51.53 N ATOM 715 CA PRO A 43 -5.936 -12.650 2.357 1.00 72.12 C ATOM 716 C PRO A 43 -5.424 -13.435 1.134 1.00 70.22 C ATOM 717 O PRO A 43 -5.996 -13.350 0.044 1.00 72.24 O ATOM 718 CB PRO A 43 -7.430 -12.921 2.590 1.00 62.12 C ATOM 719 CG PRO A 43 -8.129 -11.815 1.878 1.00 72.43 C ATOM 720 CD PRO A 43 -7.237 -10.606 2.018 1.00 24.44 C ATOM 0 HA PRO A 43 -5.292 -12.974 3.174 1.00 72.12 H new ATOM 0 HB2 PRO A 43 -7.723 -13.894 2.195 1.00 62.12 H new ATOM 0 HB3 PRO A 43 -7.671 -12.923 3.653 1.00 62.12 H new ATOM 0 HG2 PRO A 43 -8.288 -12.064 0.829 1.00 72.43 H new ATOM 0 HG3 PRO A 43 -9.111 -11.629 2.313 1.00 72.43 H new ATOM 0 HD2 PRO A 43 -7.300 -9.958 1.144 1.00 24.44 H new ATOM 0 HD3 PRO A 43 -7.512 -10.002 2.883 1.00 24.44 H new ATOM 728 N GLY A 44 -4.342 -14.198 1.321 1.00 3.14 N ATOM 729 CA GLY A 44 -3.783 -14.996 0.232 1.00 63.32 C ATOM 730 C GLY A 44 -3.370 -14.164 -0.980 1.00 41.23 C ATOM 731 O GLY A 44 -3.630 -14.540 -2.127 1.00 53.15 O ATOM 0 H GLY A 44 -3.843 -14.278 2.207 1.00 3.14 H new ATOM 0 HA2 GLY A 44 -2.915 -15.543 0.601 1.00 63.32 H new ATOM 0 HA3 GLY A 44 -4.518 -15.738 -0.079 1.00 63.32 H new ATOM 735 N ALA A 45 -2.724 -13.030 -0.728 1.00 33.13 N ATOM 736 CA ALA A 45 -2.299 -12.126 -1.801 1.00 72.24 C ATOM 737 C ALA A 45 -0.814 -12.301 -2.152 1.00 33.51 C ATOM 738 O ALA A 45 -0.042 -12.890 -1.390 1.00 22.50 O ATOM 739 CB ALA A 45 -2.581 -10.680 -1.408 1.00 71.44 C ATOM 0 H ALA A 45 -2.481 -12.711 0.210 1.00 33.13 H new ATOM 0 HA ALA A 45 -2.874 -12.381 -2.691 1.00 72.24 H new ATOM 0 HB1 ALA A 45 -2.262 -10.016 -2.211 1.00 71.44 H new ATOM 0 HB2 ALA A 45 -3.649 -10.552 -1.234 1.00 71.44 H new ATOM 0 HB3 ALA A 45 -2.034 -10.437 -0.497 1.00 71.44 H new ATOM 745 N SER A 46 -0.428 -11.787 -3.317 1.00 24.32 N ATOM 746 CA SER A 46 0.966 -11.836 -3.782 1.00 1.34 C ATOM 747 C SER A 46 1.391 -10.489 -4.397 1.00 10.13 C ATOM 748 O SER A 46 0.651 -9.503 -4.333 1.00 33.32 O ATOM 749 CB SER A 46 1.141 -12.972 -4.805 1.00 23.22 C ATOM 750 OG SER A 46 2.489 -13.070 -5.257 1.00 21.02 O ATOM 0 H SER A 46 -1.065 -11.326 -3.967 1.00 24.32 H new ATOM 0 HA SER A 46 1.608 -12.031 -2.923 1.00 1.34 H new ATOM 0 HB2 SER A 46 0.838 -13.917 -4.355 1.00 23.22 H new ATOM 0 HB3 SER A 46 0.483 -12.800 -5.657 1.00 23.22 H new ATOM 0 HG SER A 46 2.565 -13.802 -5.904 1.00 21.02 H new ATOM 756 N GLY A 47 2.584 -10.456 -4.993 1.00 42.22 N ATOM 757 CA GLY A 47 3.139 -9.217 -5.538 1.00 1.40 C ATOM 758 C GLY A 47 2.224 -8.495 -6.528 1.00 61.40 C ATOM 759 O GLY A 47 2.172 -7.266 -6.543 1.00 23.13 O ATOM 0 H GLY A 47 3.184 -11.273 -5.110 1.00 42.22 H new ATOM 0 HA2 GLY A 47 3.366 -8.542 -4.713 1.00 1.40 H new ATOM 0 HA3 GLY A 47 4.083 -9.444 -6.034 1.00 1.40 H new ATOM 763 N ALA A 48 1.502 -9.253 -7.354 1.00 33.01 N ATOM 764 CA ALA A 48 0.575 -8.667 -8.331 1.00 30.44 C ATOM 765 C ALA A 48 -0.530 -7.841 -7.647 1.00 53.14 C ATOM 766 O ALA A 48 -0.899 -6.765 -8.122 1.00 40.43 O ATOM 767 CB ALA A 48 -0.032 -9.759 -9.206 1.00 25.14 C ATOM 0 H ALA A 48 1.539 -10.272 -7.368 1.00 33.01 H new ATOM 0 HA ALA A 48 1.146 -7.986 -8.962 1.00 30.44 H new ATOM 0 HB1 ALA A 48 -0.717 -9.310 -9.925 1.00 25.14 H new ATOM 0 HB2 ALA A 48 0.762 -10.282 -9.739 1.00 25.14 H new ATOM 0 HB3 ALA A 48 -0.576 -10.467 -8.580 1.00 25.14 H new ATOM 773 N GLU A 49 -1.061 -8.348 -6.535 1.00 2.31 N ATOM 774 CA GLU A 49 -2.064 -7.614 -5.754 1.00 73.12 C ATOM 775 C GLU A 49 -1.428 -6.412 -5.037 1.00 62.45 C ATOM 776 O GLU A 49 -2.003 -5.321 -5.003 1.00 53.11 O ATOM 777 CB GLU A 49 -2.760 -8.530 -4.732 1.00 11.34 C ATOM 778 CG GLU A 49 -3.574 -9.668 -5.351 1.00 33.12 C ATOM 779 CD GLU A 49 -2.726 -10.859 -5.783 1.00 14.13 C ATOM 780 OE1 GLU A 49 -2.125 -10.813 -6.874 1.00 75.14 O ATOM 781 OE2 GLU A 49 -2.659 -11.850 -5.027 1.00 10.23 O ATOM 0 H GLU A 49 -0.816 -9.261 -6.153 1.00 2.31 H new ATOM 0 HA GLU A 49 -2.817 -7.248 -6.453 1.00 73.12 H new ATOM 0 HB2 GLU A 49 -2.005 -8.957 -4.073 1.00 11.34 H new ATOM 0 HB3 GLU A 49 -3.420 -7.925 -4.111 1.00 11.34 H new ATOM 0 HG2 GLU A 49 -4.319 -10.005 -4.630 1.00 33.12 H new ATOM 0 HG3 GLU A 49 -4.117 -9.287 -6.216 1.00 33.12 H new ATOM 788 N VAL A 50 -0.235 -6.616 -4.476 1.00 21.24 N ATOM 789 CA VAL A 50 0.517 -5.528 -3.833 1.00 43.33 C ATOM 790 C VAL A 50 0.787 -4.385 -4.825 1.00 63.13 C ATOM 791 O VAL A 50 0.712 -3.203 -4.473 1.00 22.11 O ATOM 792 CB VAL A 50 1.865 -6.028 -3.258 1.00 13.33 C ATOM 793 CG1 VAL A 50 2.654 -4.872 -2.642 1.00 0.55 C ATOM 794 CG2 VAL A 50 1.637 -7.140 -2.235 1.00 13.04 C ATOM 0 H VAL A 50 0.234 -7.522 -4.452 1.00 21.24 H new ATOM 0 HA VAL A 50 -0.100 -5.160 -3.013 1.00 43.33 H new ATOM 0 HB VAL A 50 2.454 -6.439 -4.078 1.00 13.33 H new ATOM 0 HG11 VAL A 50 3.597 -5.246 -2.244 1.00 0.55 H new ATOM 0 HG12 VAL A 50 2.855 -4.121 -3.406 1.00 0.55 H new ATOM 0 HG13 VAL A 50 2.073 -4.424 -1.836 1.00 0.55 H new ATOM 0 HG21 VAL A 50 2.597 -7.477 -1.844 1.00 13.04 H new ATOM 0 HG22 VAL A 50 1.024 -6.762 -1.417 1.00 13.04 H new ATOM 0 HG23 VAL A 50 1.127 -7.976 -2.714 1.00 13.04 H new ATOM 804 N LYS A 51 1.102 -4.752 -6.068 1.00 43.20 N ATOM 805 CA LYS A 51 1.284 -3.780 -7.147 1.00 11.34 C ATOM 806 C LYS A 51 0.050 -2.873 -7.266 1.00 24.41 C ATOM 807 O LYS A 51 0.169 -1.652 -7.363 1.00 23.11 O ATOM 808 CB LYS A 51 1.538 -4.513 -8.472 1.00 41.53 C ATOM 809 CG LYS A 51 1.737 -3.592 -9.675 1.00 13.20 C ATOM 810 CD LYS A 51 1.913 -4.385 -10.972 1.00 42.21 C ATOM 811 CE LYS A 51 3.191 -5.219 -10.968 1.00 10.04 C ATOM 812 NZ LYS A 51 4.413 -4.373 -11.033 1.00 52.45 N ATOM 0 H LYS A 51 1.237 -5.722 -6.354 1.00 43.20 H new ATOM 0 HA LYS A 51 2.147 -3.156 -6.917 1.00 11.34 H new ATOM 0 HB2 LYS A 51 2.421 -5.142 -8.362 1.00 41.53 H new ATOM 0 HB3 LYS A 51 0.697 -5.177 -8.673 1.00 41.53 H new ATOM 0 HG2 LYS A 51 0.879 -2.926 -9.769 1.00 13.20 H new ATOM 0 HG3 LYS A 51 2.612 -2.963 -9.511 1.00 13.20 H new ATOM 0 HD2 LYS A 51 1.054 -5.040 -11.115 1.00 42.21 H new ATOM 0 HD3 LYS A 51 1.933 -3.697 -11.817 1.00 42.21 H new ATOM 0 HE2 LYS A 51 3.221 -5.830 -10.066 1.00 10.04 H new ATOM 0 HE3 LYS A 51 3.179 -5.903 -11.816 1.00 10.04 H new ATOM 0 HZ1 LYS A 51 5.250 -4.980 -11.148 1.00 52.45 H new ATOM 0 HZ2 LYS A 51 4.343 -3.724 -11.842 1.00 52.45 H new ATOM 0 HZ3 LYS A 51 4.502 -3.823 -10.155 1.00 52.45 H new ATOM 826 N GLY A 52 -1.134 -3.482 -7.232 1.00 33.04 N ATOM 827 CA GLY A 52 -2.376 -2.722 -7.278 1.00 70.32 C ATOM 828 C GLY A 52 -2.561 -1.805 -6.067 1.00 12.21 C ATOM 829 O GLY A 52 -2.917 -0.635 -6.218 1.00 41.24 O ATOM 0 H GLY A 52 -1.257 -4.493 -7.173 1.00 33.04 H new ATOM 0 HA2 GLY A 52 -2.395 -2.122 -8.188 1.00 70.32 H new ATOM 0 HA3 GLY A 52 -3.217 -3.413 -7.335 1.00 70.32 H new ATOM 833 N VAL A 53 -2.309 -2.332 -4.866 1.00 35.14 N ATOM 834 CA VAL A 53 -2.480 -1.561 -3.626 1.00 64.22 C ATOM 835 C VAL A 53 -1.579 -0.313 -3.595 1.00 64.45 C ATOM 836 O VAL A 53 -2.057 0.806 -3.410 1.00 13.24 O ATOM 837 CB VAL A 53 -2.188 -2.434 -2.377 1.00 63.03 C ATOM 838 CG1 VAL A 53 -2.310 -1.616 -1.089 1.00 51.42 C ATOM 839 CG2 VAL A 53 -3.118 -3.644 -2.339 1.00 13.12 C ATOM 0 H VAL A 53 -1.986 -3.289 -4.723 1.00 35.14 H new ATOM 0 HA VAL A 53 -3.521 -1.238 -3.605 1.00 64.22 H new ATOM 0 HB VAL A 53 -1.161 -2.791 -2.449 1.00 63.03 H new ATOM 0 HG11 VAL A 53 -2.100 -2.255 -0.231 1.00 51.42 H new ATOM 0 HG12 VAL A 53 -1.596 -0.793 -1.112 1.00 51.42 H new ATOM 0 HG13 VAL A 53 -3.321 -1.217 -1.006 1.00 51.42 H new ATOM 0 HG21 VAL A 53 -2.898 -4.244 -1.456 1.00 13.12 H new ATOM 0 HG22 VAL A 53 -4.153 -3.306 -2.299 1.00 13.12 H new ATOM 0 HG23 VAL A 53 -2.967 -4.247 -3.234 1.00 13.12 H new ATOM 849 N CYS A 54 -0.277 -0.507 -3.786 1.00 61.32 N ATOM 850 CA CYS A 54 0.682 0.607 -3.731 1.00 73.45 C ATOM 851 C CYS A 54 0.385 1.678 -4.794 1.00 44.53 C ATOM 852 O CYS A 54 0.471 2.875 -4.520 1.00 10.20 O ATOM 853 CB CYS A 54 2.118 0.094 -3.892 1.00 65.25 C ATOM 854 SG CYS A 54 2.423 -0.811 -5.428 1.00 15.24 S ATOM 0 H CYS A 54 0.142 -1.417 -3.979 1.00 61.32 H new ATOM 0 HA CYS A 54 0.575 1.072 -2.751 1.00 73.45 H new ATOM 0 HB2 CYS A 54 2.801 0.942 -3.843 1.00 65.25 H new ATOM 0 HB3 CYS A 54 2.355 -0.555 -3.049 1.00 65.25 H new ATOM 0 HG CYS A 54 1.291 -1.066 -6.014 1.00 15.24 H new ATOM 860 N THR A 55 0.025 1.243 -6.001 1.00 1.45 N ATOM 861 CA THR A 55 -0.308 2.175 -7.089 1.00 21.11 C ATOM 862 C THR A 55 -1.565 3.000 -6.762 1.00 22.13 C ATOM 863 O THR A 55 -1.570 4.226 -6.900 1.00 3.42 O ATOM 864 CB THR A 55 -0.532 1.434 -8.430 1.00 0.55 C ATOM 865 OG1 THR A 55 0.616 0.631 -8.746 1.00 73.03 O ATOM 866 CG2 THR A 55 -0.786 2.414 -9.571 1.00 35.45 C ATOM 0 H THR A 55 -0.045 0.257 -6.254 1.00 1.45 H new ATOM 0 HA THR A 55 0.546 2.844 -7.189 1.00 21.11 H new ATOM 0 HB THR A 55 -1.410 0.799 -8.315 1.00 0.55 H new ATOM 0 HG1 THR A 55 0.526 -0.249 -8.323 1.00 73.03 H new ATOM 0 HG21 THR A 55 -0.939 1.861 -10.498 1.00 35.45 H new ATOM 0 HG22 THR A 55 -1.674 3.007 -9.351 1.00 35.45 H new ATOM 0 HG23 THR A 55 0.073 3.075 -9.681 1.00 35.45 H new ATOM 874 N GLU A 56 -2.631 2.323 -6.326 1.00 71.44 N ATOM 875 CA GLU A 56 -3.873 3.006 -5.931 1.00 51.31 C ATOM 876 C GLU A 56 -3.626 3.967 -4.761 1.00 51.34 C ATOM 877 O GLU A 56 -4.135 5.088 -4.751 1.00 13.20 O ATOM 878 CB GLU A 56 -4.960 1.985 -5.559 1.00 33.45 C ATOM 879 CG GLU A 56 -5.503 1.194 -6.745 1.00 44.23 C ATOM 880 CD GLU A 56 -6.265 2.064 -7.735 1.00 0.22 C ATOM 881 OE1 GLU A 56 -7.461 2.341 -7.492 1.00 32.14 O ATOM 882 OE2 GLU A 56 -5.679 2.465 -8.768 1.00 42.23 O ATOM 0 H GLU A 56 -2.663 1.307 -6.237 1.00 71.44 H new ATOM 0 HA GLU A 56 -4.219 3.588 -6.785 1.00 51.31 H new ATOM 0 HB2 GLU A 56 -4.553 1.288 -4.827 1.00 33.45 H new ATOM 0 HB3 GLU A 56 -5.785 2.509 -5.077 1.00 33.45 H new ATOM 0 HG2 GLU A 56 -4.676 0.705 -7.260 1.00 44.23 H new ATOM 0 HG3 GLU A 56 -6.161 0.406 -6.379 1.00 44.23 H new ATOM 889 N ALA A 57 -2.830 3.524 -3.785 1.00 73.31 N ATOM 890 CA ALA A 57 -2.433 4.374 -2.656 1.00 50.41 C ATOM 891 C ALA A 57 -1.793 5.682 -3.150 1.00 5.35 C ATOM 892 O ALA A 57 -2.132 6.770 -2.683 1.00 2.43 O ATOM 893 CB ALA A 57 -1.470 3.621 -1.743 1.00 42.22 C ATOM 0 H ALA A 57 -2.446 2.580 -3.752 1.00 73.31 H new ATOM 0 HA ALA A 57 -3.328 4.630 -2.089 1.00 50.41 H new ATOM 0 HB1 ALA A 57 -1.183 4.262 -0.909 1.00 42.22 H new ATOM 0 HB2 ALA A 57 -1.958 2.724 -1.360 1.00 42.22 H new ATOM 0 HB3 ALA A 57 -0.581 3.338 -2.306 1.00 42.22 H new ATOM 899 N GLY A 58 -0.882 5.564 -4.116 1.00 64.15 N ATOM 900 CA GLY A 58 -0.270 6.740 -4.723 1.00 74.11 C ATOM 901 C GLY A 58 -1.287 7.632 -5.430 1.00 1.34 C ATOM 902 O GLY A 58 -1.204 8.858 -5.365 1.00 3.00 O ATOM 0 H GLY A 58 -0.555 4.673 -4.491 1.00 64.15 H new ATOM 0 HA2 GLY A 58 0.241 7.318 -3.953 1.00 74.11 H new ATOM 0 HA3 GLY A 58 0.488 6.422 -5.439 1.00 74.11 H new ATOM 906 N MET A 59 -2.262 7.015 -6.097 1.00 15.11 N ATOM 907 CA MET A 59 -3.308 7.764 -6.803 1.00 62.14 C ATOM 908 C MET A 59 -4.207 8.539 -5.823 1.00 32.03 C ATOM 909 O MET A 59 -4.610 9.672 -6.100 1.00 34.33 O ATOM 910 CB MET A 59 -4.168 6.823 -7.664 1.00 24.24 C ATOM 911 CG MET A 59 -3.393 6.034 -8.724 1.00 63.22 C ATOM 912 SD MET A 59 -3.195 6.916 -10.295 1.00 52.23 S ATOM 913 CE MET A 59 -2.089 8.255 -9.847 1.00 74.35 C ATOM 0 H MET A 59 -2.352 6.001 -6.165 1.00 15.11 H new ATOM 0 HA MET A 59 -2.808 8.483 -7.452 1.00 62.14 H new ATOM 0 HB2 MET A 59 -4.678 6.118 -7.008 1.00 24.24 H new ATOM 0 HB3 MET A 59 -4.939 7.412 -8.161 1.00 24.24 H new ATOM 0 HG2 MET A 59 -2.407 5.787 -8.330 1.00 63.22 H new ATOM 0 HG3 MET A 59 -3.908 5.091 -8.910 1.00 63.22 H new ATOM 0 HE1 MET A 59 -1.481 8.529 -10.709 1.00 74.35 H new ATOM 0 HE2 MET A 59 -2.673 9.118 -9.526 1.00 74.35 H new ATOM 0 HE3 MET A 59 -1.440 7.934 -9.033 1.00 74.35 H new ATOM 923 N TYR A 60 -4.514 7.927 -4.681 1.00 42.35 N ATOM 924 CA TYR A 60 -5.328 8.581 -3.650 1.00 61.12 C ATOM 925 C TYR A 60 -4.567 9.747 -3.006 1.00 23.22 C ATOM 926 O TYR A 60 -5.153 10.774 -2.654 1.00 41.24 O ATOM 927 CB TYR A 60 -5.766 7.569 -2.585 1.00 21.45 C ATOM 928 CG TYR A 60 -6.554 6.397 -3.142 1.00 71.14 C ATOM 929 CD1 TYR A 60 -7.357 6.543 -4.272 1.00 53.33 C ATOM 930 CD2 TYR A 60 -6.487 5.144 -2.546 1.00 21.34 C ATOM 931 CE1 TYR A 60 -8.070 5.477 -4.783 1.00 0.13 C ATOM 932 CE2 TYR A 60 -7.198 4.074 -3.053 1.00 2.10 C ATOM 933 CZ TYR A 60 -7.985 4.245 -4.173 1.00 42.11 C ATOM 934 OH TYR A 60 -8.692 3.180 -4.683 1.00 74.35 O ATOM 0 H TYR A 60 -4.214 6.982 -4.443 1.00 42.35 H new ATOM 0 HA TYR A 60 -6.220 8.984 -4.130 1.00 61.12 H new ATOM 0 HB2 TYR A 60 -4.882 7.190 -2.072 1.00 21.45 H new ATOM 0 HB3 TYR A 60 -6.373 8.081 -1.838 1.00 21.45 H new ATOM 0 HD1 TYR A 60 -7.422 7.506 -4.756 1.00 53.33 H new ATOM 0 HD2 TYR A 60 -5.869 5.004 -1.672 1.00 21.34 H new ATOM 0 HE1 TYR A 60 -8.691 5.608 -5.657 1.00 0.13 H new ATOM 0 HE2 TYR A 60 -7.138 3.108 -2.575 1.00 2.10 H new ATOM 0 HH TYR A 60 -8.304 2.911 -5.542 1.00 74.35 H new ATOM 944 N ALA A 61 -3.258 9.587 -2.868 1.00 22.43 N ATOM 945 CA ALA A 61 -2.394 10.674 -2.411 1.00 72.12 C ATOM 946 C ALA A 61 -2.368 11.829 -3.429 1.00 11.15 C ATOM 947 O ALA A 61 -2.653 12.979 -3.091 1.00 52.31 O ATOM 948 CB ALA A 61 -0.982 10.154 -2.156 1.00 63.23 C ATOM 0 H ALA A 61 -2.768 8.715 -3.066 1.00 22.43 H new ATOM 0 HA ALA A 61 -2.801 11.061 -1.477 1.00 72.12 H new ATOM 0 HB1 ALA A 61 -0.348 10.973 -1.816 1.00 63.23 H new ATOM 0 HB2 ALA A 61 -1.013 9.378 -1.391 1.00 63.23 H new ATOM 0 HB3 ALA A 61 -0.575 9.739 -3.078 1.00 63.23 H new ATOM 954 N LEU A 62 -2.051 11.506 -4.685 1.00 31.00 N ATOM 955 CA LEU A 62 -1.918 12.514 -5.749 1.00 74.22 C ATOM 956 C LEU A 62 -3.223 13.294 -6.004 1.00 43.03 C ATOM 957 O LEU A 62 -3.184 14.503 -6.249 1.00 24.13 O ATOM 958 CB LEU A 62 -1.432 11.856 -7.050 1.00 61.11 C ATOM 959 CG LEU A 62 -0.024 11.235 -6.980 1.00 50.22 C ATOM 960 CD1 LEU A 62 0.373 10.632 -8.325 1.00 13.42 C ATOM 961 CD2 LEU A 62 1.000 12.277 -6.533 1.00 41.30 C ATOM 0 H LEU A 62 -1.880 10.549 -4.995 1.00 31.00 H new ATOM 0 HA LEU A 62 -1.179 13.237 -5.405 1.00 74.22 H new ATOM 0 HB2 LEU A 62 -2.142 11.079 -7.333 1.00 61.11 H new ATOM 0 HB3 LEU A 62 -1.444 12.603 -7.844 1.00 61.11 H new ATOM 0 HG LEU A 62 -0.043 10.432 -6.243 1.00 50.22 H new ATOM 0 HD11 LEU A 62 1.371 10.200 -8.250 1.00 13.42 H new ATOM 0 HD12 LEU A 62 -0.339 9.854 -8.599 1.00 13.42 H new ATOM 0 HD13 LEU A 62 0.371 11.411 -9.088 1.00 13.42 H new ATOM 0 HD21 LEU A 62 1.989 11.820 -6.489 1.00 41.30 H new ATOM 0 HD22 LEU A 62 1.013 13.103 -7.244 1.00 41.30 H new ATOM 0 HD23 LEU A 62 0.730 12.652 -5.546 1.00 41.30 H new ATOM 973 N ARG A 63 -4.374 12.616 -5.948 1.00 71.54 N ATOM 974 CA ARG A 63 -5.668 13.294 -6.138 1.00 30.00 C ATOM 975 C ARG A 63 -5.857 14.410 -5.093 1.00 23.45 C ATOM 976 O ARG A 63 -6.368 15.489 -5.394 1.00 11.04 O ATOM 977 CB ARG A 63 -6.845 12.300 -6.050 1.00 4.44 C ATOM 978 CG ARG A 63 -7.102 11.781 -4.638 1.00 3.35 C ATOM 979 CD ARG A 63 -8.417 11.020 -4.505 1.00 54.43 C ATOM 980 NE ARG A 63 -8.740 10.780 -3.098 1.00 12.30 N ATOM 981 CZ ARG A 63 -9.903 10.386 -2.656 1.00 73.33 C ATOM 982 NH1 ARG A 63 -10.868 10.103 -3.469 1.00 1.43 N ATOM 983 NH2 ARG A 63 -10.095 10.274 -1.388 1.00 13.15 N ATOM 0 H ARG A 63 -4.441 11.613 -5.775 1.00 71.54 H new ATOM 0 HA ARG A 63 -5.660 13.733 -7.136 1.00 30.00 H new ATOM 0 HB2 ARG A 63 -7.748 12.786 -6.420 1.00 4.44 H new ATOM 0 HB3 ARG A 63 -6.646 11.454 -6.708 1.00 4.44 H new ATOM 0 HG2 ARG A 63 -6.281 11.128 -4.343 1.00 3.35 H new ATOM 0 HG3 ARG A 63 -7.105 12.622 -3.944 1.00 3.35 H new ATOM 0 HD2 ARG A 63 -9.220 11.588 -4.975 1.00 54.43 H new ATOM 0 HD3 ARG A 63 -8.347 10.069 -5.034 1.00 54.43 H new ATOM 0 HE ARG A 63 -8.001 10.932 -2.412 1.00 12.30 H new ATOM 0 HH11 ARG A 63 -10.728 10.186 -4.476 1.00 1.43 H new ATOM 0 HH12 ARG A 63 -11.770 9.797 -3.103 1.00 1.43 H new ATOM 0 HH21 ARG A 63 -9.341 10.493 -0.737 1.00 13.15 H new ATOM 0 HH22 ARG A 63 -11.001 9.967 -1.035 1.00 13.15 H new ATOM 997 N GLU A 64 -5.425 14.134 -3.859 1.00 52.44 N ATOM 998 CA GLU A 64 -5.526 15.097 -2.755 1.00 4.40 C ATOM 999 C GLU A 64 -4.212 15.874 -2.573 1.00 30.42 C ATOM 1000 O GLU A 64 -4.017 16.571 -1.576 1.00 21.22 O ATOM 1001 CB GLU A 64 -5.905 14.366 -1.457 1.00 33.34 C ATOM 1002 CG GLU A 64 -7.279 13.702 -1.514 1.00 3.42 C ATOM 1003 CD GLU A 64 -7.671 13.027 -0.210 1.00 71.45 C ATOM 1004 OE1 GLU A 64 -7.606 13.693 0.851 1.00 34.44 O ATOM 1005 OE2 GLU A 64 -8.054 11.836 -0.238 1.00 33.41 O ATOM 0 H GLU A 64 -4.999 13.245 -3.597 1.00 52.44 H new ATOM 0 HA GLU A 64 -6.306 15.818 -2.998 1.00 4.40 H new ATOM 0 HB2 GLU A 64 -5.152 13.608 -1.243 1.00 33.34 H new ATOM 0 HB3 GLU A 64 -5.887 15.076 -0.630 1.00 33.34 H new ATOM 0 HG2 GLU A 64 -8.028 14.452 -1.767 1.00 3.42 H new ATOM 0 HG3 GLU A 64 -7.285 12.963 -2.315 1.00 3.42 H new ATOM 1012 N ARG A 65 -3.319 15.743 -3.559 1.00 10.34 N ATOM 1013 CA ARG A 65 -2.016 16.424 -3.563 1.00 63.11 C ATOM 1014 C ARG A 65 -1.197 16.133 -2.292 1.00 73.44 C ATOM 1015 O ARG A 65 -0.331 16.923 -1.902 1.00 62.14 O ATOM 1016 CB ARG A 65 -2.185 17.941 -3.772 1.00 45.40 C ATOM 1017 CG ARG A 65 -2.720 18.325 -5.156 1.00 40.14 C ATOM 1018 CD ARG A 65 -4.232 18.142 -5.277 1.00 4.41 C ATOM 1019 NE ARG A 65 -4.961 19.140 -4.496 1.00 13.21 N ATOM 1020 CZ ARG A 65 -6.201 19.018 -4.105 1.00 63.41 C ATOM 1021 NH1 ARG A 65 -6.884 17.953 -4.375 1.00 54.10 N ATOM 1022 NH2 ARG A 65 -6.766 19.975 -3.451 1.00 62.44 N ATOM 0 H ARG A 65 -3.478 15.160 -4.381 1.00 10.34 H new ATOM 0 HA ARG A 65 -1.452 16.020 -4.404 1.00 63.11 H new ATOM 0 HB2 ARG A 65 -2.863 18.329 -3.012 1.00 45.40 H new ATOM 0 HB3 ARG A 65 -1.222 18.428 -3.618 1.00 45.40 H new ATOM 0 HG2 ARG A 65 -2.467 19.365 -5.363 1.00 40.14 H new ATOM 0 HG3 ARG A 65 -2.223 17.719 -5.914 1.00 40.14 H new ATOM 0 HD2 ARG A 65 -4.525 18.215 -6.324 1.00 4.41 H new ATOM 0 HD3 ARG A 65 -4.506 17.143 -4.938 1.00 4.41 H new ATOM 0 HE ARG A 65 -4.465 19.993 -4.238 1.00 13.21 H new ATOM 0 HH11 ARG A 65 -6.455 17.192 -4.901 1.00 54.10 H new ATOM 0 HH12 ARG A 65 -7.852 17.875 -4.062 1.00 54.10 H new ATOM 0 HH21 ARG A 65 -6.244 20.826 -3.240 1.00 62.44 H new ATOM 0 HH22 ARG A 65 -7.734 19.881 -3.145 1.00 62.44 H new ATOM 1036 N ARG A 66 -1.452 14.982 -1.669 1.00 11.13 N ATOM 1037 CA ARG A 66 -0.681 14.536 -0.506 1.00 14.22 C ATOM 1038 C ARG A 66 0.790 14.285 -0.885 1.00 61.42 C ATOM 1039 O ARG A 66 1.080 13.529 -1.813 1.00 53.24 O ATOM 1040 CB ARG A 66 -1.285 13.246 0.082 1.00 23.34 C ATOM 1041 CG ARG A 66 -2.715 13.394 0.601 1.00 4.04 C ATOM 1042 CD ARG A 66 -3.286 12.055 1.080 1.00 0.21 C ATOM 1043 NE ARG A 66 -4.597 12.203 1.717 1.00 24.24 N ATOM 1044 CZ ARG A 66 -5.317 11.203 2.163 1.00 53.15 C ATOM 1045 NH1 ARG A 66 -4.951 9.977 1.972 1.00 41.44 N ATOM 1046 NH2 ARG A 66 -6.428 11.436 2.787 1.00 21.35 N ATOM 0 H ARG A 66 -2.191 14.338 -1.952 1.00 11.13 H new ATOM 0 HA ARG A 66 -0.723 15.327 0.243 1.00 14.22 H new ATOM 0 HB2 ARG A 66 -1.268 12.470 -0.684 1.00 23.34 H new ATOM 0 HB3 ARG A 66 -0.650 12.902 0.898 1.00 23.34 H new ATOM 0 HG2 ARG A 66 -2.732 14.111 1.422 1.00 4.04 H new ATOM 0 HG3 ARG A 66 -3.349 13.798 -0.188 1.00 4.04 H new ATOM 0 HD2 ARG A 66 -3.372 11.375 0.232 1.00 0.21 H new ATOM 0 HD3 ARG A 66 -2.592 11.599 1.785 1.00 0.21 H new ATOM 0 HE ARG A 66 -4.974 13.145 1.820 1.00 24.24 H new ATOM 0 HH11 ARG A 66 -4.088 9.775 1.467 1.00 41.44 H new ATOM 0 HH12 ARG A 66 -5.525 9.212 2.327 1.00 41.44 H new ATOM 0 HH21 ARG A 66 -6.741 12.396 2.930 1.00 21.35 H new ATOM 0 HH22 ARG A 66 -6.990 10.659 3.135 1.00 21.35 H new ATOM 1060 N VAL A 67 1.710 14.935 -0.177 1.00 32.31 N ATOM 1061 CA VAL A 67 3.148 14.735 -0.405 1.00 72.13 C ATOM 1062 C VAL A 67 3.636 13.433 0.259 1.00 3.42 C ATOM 1063 O VAL A 67 4.610 12.820 -0.182 1.00 41.32 O ATOM 1064 CB VAL A 67 3.976 15.934 0.128 1.00 24.42 C ATOM 1065 CG1 VAL A 67 5.456 15.777 -0.216 1.00 13.20 C ATOM 1066 CG2 VAL A 67 3.428 17.252 -0.416 1.00 23.01 C ATOM 0 H VAL A 67 1.491 15.605 0.560 1.00 32.31 H new ATOM 0 HA VAL A 67 3.296 14.661 -1.482 1.00 72.13 H new ATOM 0 HB VAL A 67 3.886 15.949 1.214 1.00 24.42 H new ATOM 0 HG11 VAL A 67 6.012 16.632 0.170 1.00 13.20 H new ATOM 0 HG12 VAL A 67 5.839 14.861 0.235 1.00 13.20 H new ATOM 0 HG13 VAL A 67 5.575 15.726 -1.298 1.00 13.20 H new ATOM 0 HG21 VAL A 67 4.023 18.080 -0.030 1.00 23.01 H new ATOM 0 HG22 VAL A 67 3.479 17.245 -1.505 1.00 23.01 H new ATOM 0 HG23 VAL A 67 2.391 17.372 -0.102 1.00 23.01 H new ATOM 1076 N HIS A 68 2.943 13.015 1.317 1.00 45.10 N ATOM 1077 CA HIS A 68 3.266 11.763 2.011 1.00 75.41 C ATOM 1078 C HIS A 68 2.082 10.789 1.963 1.00 3.05 C ATOM 1079 O HIS A 68 0.968 11.136 2.358 1.00 65.31 O ATOM 1080 CB HIS A 68 3.669 12.039 3.471 1.00 10.42 C ATOM 1081 CG HIS A 68 2.556 12.558 4.343 1.00 41.41 C ATOM 1082 ND1 HIS A 68 2.179 13.881 4.379 1.00 1.41 N ATOM 1083 CD2 HIS A 68 1.736 11.918 5.217 1.00 65.44 C ATOM 1084 CE1 HIS A 68 1.181 14.034 5.226 1.00 64.13 C ATOM 1085 NE2 HIS A 68 0.893 12.861 5.750 1.00 2.34 N ATOM 0 H HIS A 68 2.153 13.523 1.715 1.00 45.10 H new ATOM 0 HA HIS A 68 4.110 11.303 1.497 1.00 75.41 H new ATOM 0 HB2 HIS A 68 4.055 11.118 3.908 1.00 10.42 H new ATOM 0 HB3 HIS A 68 4.485 12.762 3.478 1.00 10.42 H new ATOM 0 HD2 HIS A 68 1.746 10.863 5.449 1.00 65.44 H new ATOM 0 HE1 HIS A 68 0.683 14.965 5.452 1.00 64.13 H new ATOM 0 HE2 HIS A 68 0.163 12.682 6.439 1.00 2.34 H new ATOM 1094 N VAL A 69 2.325 9.576 1.477 1.00 53.33 N ATOM 1095 CA VAL A 69 1.290 8.539 1.437 1.00 54.51 C ATOM 1096 C VAL A 69 0.970 8.042 2.856 1.00 60.10 C ATOM 1097 O VAL A 69 1.869 7.671 3.619 1.00 43.13 O ATOM 1098 CB VAL A 69 1.719 7.343 0.548 1.00 40.23 C ATOM 1099 CG1 VAL A 69 0.585 6.329 0.411 1.00 55.30 C ATOM 1100 CG2 VAL A 69 2.177 7.830 -0.827 1.00 53.01 C ATOM 0 H VAL A 69 3.228 9.283 1.104 1.00 53.33 H new ATOM 0 HA VAL A 69 0.396 8.986 1.002 1.00 54.51 H new ATOM 0 HB VAL A 69 2.559 6.846 1.033 1.00 40.23 H new ATOM 0 HG11 VAL A 69 0.912 5.500 -0.217 1.00 55.30 H new ATOM 0 HG12 VAL A 69 0.313 5.952 1.397 1.00 55.30 H new ATOM 0 HG13 VAL A 69 -0.280 6.810 -0.045 1.00 55.30 H new ATOM 0 HG21 VAL A 69 2.474 6.976 -1.435 1.00 53.01 H new ATOM 0 HG22 VAL A 69 1.359 8.358 -1.317 1.00 53.01 H new ATOM 0 HG23 VAL A 69 3.025 8.504 -0.710 1.00 53.01 H new ATOM 1110 N THR A 70 -0.310 8.044 3.213 1.00 75.11 N ATOM 1111 CA THR A 70 -0.731 7.691 4.575 1.00 25.42 C ATOM 1112 C THR A 70 -1.145 6.221 4.687 1.00 35.43 C ATOM 1113 O THR A 70 -1.302 5.522 3.684 1.00 1.13 O ATOM 1114 CB THR A 70 -1.914 8.565 5.062 1.00 14.12 C ATOM 1115 OG1 THR A 70 -3.147 8.091 4.500 1.00 71.34 O ATOM 1116 CG2 THR A 70 -1.713 10.029 4.680 1.00 2.41 C ATOM 0 H THR A 70 -1.076 8.285 2.584 1.00 75.11 H new ATOM 0 HA THR A 70 0.140 7.872 5.204 1.00 25.42 H new ATOM 0 HB THR A 70 -1.955 8.491 6.149 1.00 14.12 H new ATOM 0 HG1 THR A 70 -3.066 8.046 3.524 1.00 71.34 H new ATOM 0 HG21 THR A 70 -2.559 10.617 5.035 1.00 2.41 H new ATOM 0 HG22 THR A 70 -0.795 10.401 5.136 1.00 2.41 H new ATOM 0 HG23 THR A 70 -1.641 10.116 3.596 1.00 2.41 H new ATOM 1124 N GLN A 71 -1.320 5.759 5.926 1.00 1.23 N ATOM 1125 CA GLN A 71 -1.833 4.412 6.197 1.00 12.34 C ATOM 1126 C GLN A 71 -3.216 4.221 5.547 1.00 75.11 C ATOM 1127 O GLN A 71 -3.561 3.131 5.084 1.00 11.32 O ATOM 1128 CB GLN A 71 -1.929 4.196 7.719 1.00 1.43 C ATOM 1129 CG GLN A 71 -2.425 2.811 8.139 1.00 54.24 C ATOM 1130 CD GLN A 71 -1.418 1.700 7.873 1.00 73.43 C ATOM 1131 OE1 GLN A 71 -0.623 1.764 6.944 1.00 45.32 O ATOM 1132 NE2 GLN A 71 -1.436 0.669 8.692 1.00 51.12 N ATOM 0 H GLN A 71 -1.113 6.301 6.765 1.00 1.23 H new ATOM 0 HA GLN A 71 -1.149 3.679 5.770 1.00 12.34 H new ATOM 0 HB2 GLN A 71 -0.946 4.363 8.159 1.00 1.43 H new ATOM 0 HB3 GLN A 71 -2.597 4.948 8.137 1.00 1.43 H new ATOM 0 HG2 GLN A 71 -2.665 2.826 9.202 1.00 54.24 H new ATOM 0 HG3 GLN A 71 -3.350 2.588 7.607 1.00 54.24 H new ATOM 0 HE21 GLN A 71 -2.108 0.639 9.459 1.00 51.12 H new ATOM 0 HE22 GLN A 71 -0.778 -0.099 8.560 1.00 51.12 H new ATOM 1141 N GLU A 72 -3.982 5.312 5.503 1.00 50.13 N ATOM 1142 CA GLU A 72 -5.336 5.313 4.944 1.00 1.52 C ATOM 1143 C GLU A 72 -5.329 4.983 3.442 1.00 74.32 C ATOM 1144 O GLU A 72 -6.142 4.188 2.967 1.00 0.51 O ATOM 1145 CB GLU A 72 -5.988 6.684 5.175 1.00 13.13 C ATOM 1146 CG GLU A 72 -6.066 7.087 6.646 1.00 74.10 C ATOM 1147 CD GLU A 72 -6.545 8.518 6.841 1.00 75.23 C ATOM 1148 OE1 GLU A 72 -7.760 8.766 6.697 1.00 23.33 O ATOM 1149 OE2 GLU A 72 -5.708 9.400 7.135 1.00 42.13 O ATOM 0 H GLU A 72 -3.681 6.221 5.854 1.00 50.13 H new ATOM 0 HA GLU A 72 -5.912 4.539 5.452 1.00 1.52 H new ATOM 0 HB2 GLU A 72 -5.424 7.441 4.630 1.00 13.13 H new ATOM 0 HB3 GLU A 72 -6.994 6.673 4.757 1.00 13.13 H new ATOM 0 HG2 GLU A 72 -6.740 6.409 7.169 1.00 74.10 H new ATOM 0 HG3 GLU A 72 -5.083 6.973 7.102 1.00 74.10 H new ATOM 1156 N ASP A 73 -4.403 5.596 2.702 1.00 42.23 N ATOM 1157 CA ASP A 73 -4.289 5.370 1.254 1.00 43.22 C ATOM 1158 C ASP A 73 -4.102 3.877 0.934 1.00 73.44 C ATOM 1159 O ASP A 73 -4.772 3.330 0.055 1.00 34.55 O ATOM 1160 CB ASP A 73 -3.118 6.182 0.683 1.00 32.25 C ATOM 1161 CG ASP A 73 -3.315 7.680 0.840 1.00 2.52 C ATOM 1162 OD1 ASP A 73 -4.052 8.274 0.035 1.00 63.10 O ATOM 1163 OD2 ASP A 73 -2.745 8.269 1.779 1.00 22.23 O ATOM 0 H ASP A 73 -3.720 6.253 3.079 1.00 42.23 H new ATOM 0 HA ASP A 73 -5.217 5.701 0.788 1.00 43.22 H new ATOM 0 HB2 ASP A 73 -2.197 5.886 1.184 1.00 32.25 H new ATOM 0 HB3 ASP A 73 -2.997 5.944 -0.374 1.00 32.25 H new ATOM 1168 N PHE A 74 -3.205 3.222 1.671 1.00 61.33 N ATOM 1169 CA PHE A 74 -2.921 1.797 1.462 1.00 0.23 C ATOM 1170 C PHE A 74 -4.138 0.906 1.773 1.00 32.44 C ATOM 1171 O PHE A 74 -4.544 0.096 0.940 1.00 70.22 O ATOM 1172 CB PHE A 74 -1.717 1.358 2.307 1.00 31.20 C ATOM 1173 CG PHE A 74 -0.384 1.834 1.778 1.00 42.41 C ATOM 1174 CD1 PHE A 74 0.235 1.166 0.732 1.00 62.45 C ATOM 1175 CD2 PHE A 74 0.249 2.941 2.325 1.00 53.12 C ATOM 1176 CE1 PHE A 74 1.454 1.591 0.242 1.00 72.23 C ATOM 1177 CE2 PHE A 74 1.471 3.369 1.837 1.00 12.55 C ATOM 1178 CZ PHE A 74 2.073 2.693 0.794 1.00 1.31 C ATOM 0 H PHE A 74 -2.661 3.653 2.419 1.00 61.33 H new ATOM 0 HA PHE A 74 -2.686 1.672 0.405 1.00 0.23 H new ATOM 0 HB2 PHE A 74 -1.846 1.730 3.324 1.00 31.20 H new ATOM 0 HB3 PHE A 74 -1.705 0.270 2.365 1.00 31.20 H new ATOM 0 HD1 PHE A 74 -0.243 0.302 0.295 1.00 62.45 H new ATOM 0 HD2 PHE A 74 -0.217 3.474 3.140 1.00 53.12 H new ATOM 0 HE1 PHE A 74 1.923 1.060 -0.574 1.00 72.23 H new ATOM 0 HE2 PHE A 74 1.954 4.232 2.272 1.00 12.55 H new ATOM 0 HZ PHE A 74 3.026 3.027 0.411 1.00 1.31 H new ATOM 1188 N GLU A 75 -4.719 1.047 2.966 1.00 73.34 N ATOM 1189 CA GLU A 75 -5.863 0.207 3.359 1.00 0.21 C ATOM 1190 C GLU A 75 -7.084 0.435 2.452 1.00 4.21 C ATOM 1191 O GLU A 75 -7.815 -0.508 2.136 1.00 21.34 O ATOM 1192 CB GLU A 75 -6.235 0.434 4.832 1.00 4.42 C ATOM 1193 CG GLU A 75 -6.531 1.884 5.190 1.00 5.13 C ATOM 1194 CD GLU A 75 -6.935 2.054 6.644 1.00 51.42 C ATOM 1195 OE1 GLU A 75 -6.048 2.000 7.526 1.00 14.45 O ATOM 1196 OE2 GLU A 75 -8.141 2.222 6.912 1.00 61.02 O ATOM 0 H GLU A 75 -4.425 1.723 3.671 1.00 73.34 H new ATOM 0 HA GLU A 75 -5.553 -0.831 3.236 1.00 0.21 H new ATOM 0 HB2 GLU A 75 -7.109 -0.172 5.071 1.00 4.42 H new ATOM 0 HB3 GLU A 75 -5.418 0.077 5.459 1.00 4.42 H new ATOM 0 HG2 GLU A 75 -5.649 2.492 4.988 1.00 5.13 H new ATOM 0 HG3 GLU A 75 -7.329 2.257 4.549 1.00 5.13 H new ATOM 1203 N MET A 76 -7.303 1.678 2.022 1.00 20.33 N ATOM 1204 CA MET A 76 -8.364 1.969 1.051 1.00 33.04 C ATOM 1205 C MET A 76 -8.058 1.309 -0.299 1.00 23.12 C ATOM 1206 O MET A 76 -8.951 0.768 -0.958 1.00 2.03 O ATOM 1207 CB MET A 76 -8.546 3.477 0.859 1.00 33.32 C ATOM 1208 CG MET A 76 -9.172 4.187 2.052 1.00 0.42 C ATOM 1209 SD MET A 76 -9.649 5.881 1.657 1.00 44.52 S ATOM 1210 CE MET A 76 -10.728 5.601 0.250 1.00 21.34 C ATOM 0 H MET A 76 -6.768 2.492 2.325 1.00 20.33 H new ATOM 0 HA MET A 76 -9.292 1.558 1.448 1.00 33.04 H new ATOM 0 HB2 MET A 76 -7.574 3.926 0.652 1.00 33.32 H new ATOM 0 HB3 MET A 76 -9.169 3.648 -0.019 1.00 33.32 H new ATOM 0 HG2 MET A 76 -10.049 3.632 2.385 1.00 0.42 H new ATOM 0 HG3 MET A 76 -8.465 4.194 2.882 1.00 0.42 H new ATOM 0 HE1 MET A 76 -11.560 6.305 0.284 1.00 21.34 H new ATOM 0 HE2 MET A 76 -10.167 5.746 -0.673 1.00 21.34 H new ATOM 0 HE3 MET A 76 -11.113 4.582 0.284 1.00 21.34 H new ATOM 1220 N ALA A 77 -6.789 1.361 -0.702 1.00 41.15 N ATOM 1221 CA ALA A 77 -6.331 0.677 -1.910 1.00 72.43 C ATOM 1222 C ALA A 77 -6.617 -0.827 -1.827 1.00 4.23 C ATOM 1223 O ALA A 77 -7.070 -1.435 -2.790 1.00 30.13 O ATOM 1224 CB ALA A 77 -4.847 0.932 -2.126 1.00 44.00 C ATOM 0 H ALA A 77 -6.058 1.872 -0.207 1.00 41.15 H new ATOM 0 HA ALA A 77 -6.880 1.076 -2.763 1.00 72.43 H new ATOM 0 HB1 ALA A 77 -4.517 0.418 -3.029 1.00 44.00 H new ATOM 0 HB2 ALA A 77 -4.674 2.003 -2.235 1.00 44.00 H new ATOM 0 HB3 ALA A 77 -4.285 0.559 -1.270 1.00 44.00 H new ATOM 1230 N VAL A 78 -6.366 -1.417 -0.659 1.00 21.01 N ATOM 1231 CA VAL A 78 -6.711 -2.823 -0.412 1.00 30.54 C ATOM 1232 C VAL A 78 -8.217 -3.060 -0.591 1.00 1.04 C ATOM 1233 O VAL A 78 -8.637 -3.965 -1.312 1.00 52.44 O ATOM 1234 CB VAL A 78 -6.291 -3.269 1.013 1.00 12.31 C ATOM 1235 CG1 VAL A 78 -6.746 -4.701 1.302 1.00 33.31 C ATOM 1236 CG2 VAL A 78 -4.782 -3.134 1.194 1.00 34.54 C ATOM 0 H VAL A 78 -5.926 -0.947 0.132 1.00 21.01 H new ATOM 0 HA VAL A 78 -6.163 -3.417 -1.143 1.00 30.54 H new ATOM 0 HB VAL A 78 -6.784 -2.613 1.730 1.00 12.31 H new ATOM 0 HG11 VAL A 78 -6.437 -4.985 2.308 1.00 33.31 H new ATOM 0 HG12 VAL A 78 -7.832 -4.760 1.226 1.00 33.31 H new ATOM 0 HG13 VAL A 78 -6.294 -5.379 0.579 1.00 33.31 H new ATOM 0 HG21 VAL A 78 -4.506 -3.451 2.200 1.00 34.54 H new ATOM 0 HG22 VAL A 78 -4.270 -3.760 0.463 1.00 34.54 H new ATOM 0 HG23 VAL A 78 -4.490 -2.094 1.049 1.00 34.54 H new ATOM 1246 N ALA A 79 -9.025 -2.221 0.052 1.00 41.21 N ATOM 1247 CA ALA A 79 -10.488 -2.314 -0.052 1.00 74.33 C ATOM 1248 C ALA A 79 -10.978 -2.089 -1.497 1.00 44.34 C ATOM 1249 O ALA A 79 -12.062 -2.538 -1.873 1.00 72.11 O ATOM 1250 CB ALA A 79 -11.143 -1.315 0.896 1.00 2.52 C ATOM 0 H ALA A 79 -8.695 -1.466 0.653 1.00 41.21 H new ATOM 0 HA ALA A 79 -10.778 -3.325 0.234 1.00 74.33 H new ATOM 0 HB1 ALA A 79 -12.227 -1.391 0.812 1.00 2.52 H new ATOM 0 HB2 ALA A 79 -10.842 -1.534 1.920 1.00 2.52 H new ATOM 0 HB3 ALA A 79 -10.829 -0.305 0.634 1.00 2.52 H new ATOM 1256 N LYS A 80 -10.178 -1.391 -2.301 1.00 45.33 N ATOM 1257 CA LYS A 80 -10.529 -1.119 -3.703 1.00 44.43 C ATOM 1258 C LYS A 80 -10.033 -2.232 -4.647 1.00 35.25 C ATOM 1259 O LYS A 80 -10.703 -2.577 -5.623 1.00 45.43 O ATOM 1260 CB LYS A 80 -9.944 0.235 -4.139 1.00 31.52 C ATOM 1261 CG LYS A 80 -10.399 0.711 -5.524 1.00 65.42 C ATOM 1262 CD LYS A 80 -11.777 1.391 -5.502 1.00 44.45 C ATOM 1263 CE LYS A 80 -12.927 0.412 -5.282 1.00 42.41 C ATOM 1264 NZ LYS A 80 -14.232 1.110 -5.154 1.00 0.11 N ATOM 0 H LYS A 80 -9.281 -1.001 -2.010 1.00 45.33 H new ATOM 0 HA LYS A 80 -11.617 -1.088 -3.769 1.00 44.43 H new ATOM 0 HB2 LYS A 80 -10.219 0.989 -3.402 1.00 31.52 H new ATOM 0 HB3 LYS A 80 -8.856 0.165 -4.133 1.00 31.52 H new ATOM 0 HG2 LYS A 80 -9.662 1.408 -5.923 1.00 65.42 H new ATOM 0 HG3 LYS A 80 -10.431 -0.141 -6.203 1.00 65.42 H new ATOM 0 HD2 LYS A 80 -11.792 2.142 -4.712 1.00 44.45 H new ATOM 0 HD3 LYS A 80 -11.931 1.916 -6.445 1.00 44.45 H new ATOM 0 HE2 LYS A 80 -12.971 -0.290 -6.115 1.00 42.41 H new ATOM 0 HE3 LYS A 80 -12.738 -0.173 -4.382 1.00 42.41 H new ATOM 0 HZ1 LYS A 80 -14.987 0.410 -5.006 1.00 0.11 H new ATOM 0 HZ2 LYS A 80 -14.199 1.761 -4.344 1.00 0.11 H new ATOM 0 HZ3 LYS A 80 -14.425 1.648 -6.023 1.00 0.11 H new ATOM 1278 N VAL A 81 -8.852 -2.777 -4.359 1.00 41.25 N ATOM 1279 CA VAL A 81 -8.250 -3.837 -5.181 1.00 40.44 C ATOM 1280 C VAL A 81 -8.751 -5.226 -4.756 1.00 13.20 C ATOM 1281 O VAL A 81 -9.277 -5.983 -5.571 1.00 23.53 O ATOM 1282 CB VAL A 81 -6.700 -3.799 -5.098 1.00 25.04 C ATOM 1283 CG1 VAL A 81 -6.072 -4.934 -5.911 1.00 61.21 C ATOM 1284 CG2 VAL A 81 -6.172 -2.440 -5.561 1.00 74.55 C ATOM 0 H VAL A 81 -8.286 -2.502 -3.557 1.00 41.25 H new ATOM 0 HA VAL A 81 -8.554 -3.653 -6.211 1.00 40.44 H new ATOM 0 HB VAL A 81 -6.415 -3.943 -4.056 1.00 25.04 H new ATOM 0 HG11 VAL A 81 -4.986 -4.880 -5.833 1.00 61.21 H new ATOM 0 HG12 VAL A 81 -6.417 -5.893 -5.524 1.00 61.21 H new ATOM 0 HG13 VAL A 81 -6.366 -4.838 -6.956 1.00 61.21 H new ATOM 0 HG21 VAL A 81 -5.084 -2.431 -5.496 1.00 74.55 H new ATOM 0 HG22 VAL A 81 -6.476 -2.264 -6.593 1.00 74.55 H new ATOM 0 HG23 VAL A 81 -6.580 -1.655 -4.924 1.00 74.55 H new ATOM 1294 N MET A 82 -8.582 -5.556 -3.476 1.00 55.43 N ATOM 1295 CA MET A 82 -9.075 -6.828 -2.932 1.00 42.23 C ATOM 1296 C MET A 82 -10.612 -6.819 -2.853 1.00 14.13 C ATOM 1297 O MET A 82 -11.253 -7.873 -2.845 1.00 32.23 O ATOM 1298 CB MET A 82 -8.470 -7.086 -1.544 1.00 24.55 C ATOM 1299 CG MET A 82 -6.947 -7.001 -1.511 1.00 51.40 C ATOM 1300 SD MET A 82 -6.145 -8.254 -2.536 1.00 22.11 S ATOM 1301 CE MET A 82 -6.489 -9.743 -1.599 1.00 60.44 C ATOM 0 H MET A 82 -8.108 -4.963 -2.794 1.00 55.43 H new ATOM 0 HA MET A 82 -8.767 -7.632 -3.600 1.00 42.23 H new ATOM 0 HB2 MET A 82 -8.880 -6.363 -0.839 1.00 24.55 H new ATOM 0 HB3 MET A 82 -8.777 -8.074 -1.202 1.00 24.55 H new ATOM 0 HG2 MET A 82 -6.637 -6.012 -1.848 1.00 51.40 H new ATOM 0 HG3 MET A 82 -6.605 -7.109 -0.482 1.00 51.40 H new ATOM 0 HE1 MET A 82 -6.165 -10.614 -2.168 1.00 60.44 H new ATOM 0 HE2 MET A 82 -5.952 -9.709 -0.651 1.00 60.44 H new ATOM 0 HE3 MET A 82 -7.560 -9.813 -1.407 1.00 60.44 H new ATOM 1311 N GLN A 83 -11.184 -5.608 -2.784 1.00 52.22 N ATOM 1312 CA GLN A 83 -12.642 -5.403 -2.817 1.00 54.30 C ATOM 1313 C GLN A 83 -13.352 -6.084 -1.634 1.00 44.52 C ATOM 1314 O GLN A 83 -14.438 -6.647 -1.786 1.00 25.53 O ATOM 1315 CB GLN A 83 -13.214 -5.911 -4.151 1.00 75.41 C ATOM 1316 CG GLN A 83 -12.613 -5.237 -5.380 1.00 44.22 C ATOM 1317 CD GLN A 83 -13.197 -5.764 -6.678 1.00 44.43 C ATOM 1318 OE1 GLN A 83 -12.704 -6.728 -7.255 1.00 2.53 O ATOM 1319 NE2 GLN A 83 -14.256 -5.139 -7.145 1.00 44.20 N ATOM 0 H GLN A 83 -10.650 -4.743 -2.704 1.00 52.22 H new ATOM 0 HA GLN A 83 -12.826 -4.332 -2.728 1.00 54.30 H new ATOM 0 HB2 GLN A 83 -13.047 -6.986 -4.220 1.00 75.41 H new ATOM 0 HB3 GLN A 83 -14.293 -5.755 -4.155 1.00 75.41 H new ATOM 0 HG2 GLN A 83 -12.782 -4.162 -5.320 1.00 44.22 H new ATOM 0 HG3 GLN A 83 -11.534 -5.390 -5.383 1.00 44.22 H new ATOM 0 HE21 GLN A 83 -14.641 -4.341 -6.640 1.00 44.20 H new ATOM 0 HE22 GLN A 83 -14.692 -5.453 -8.012 1.00 44.20 H new