USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 826 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.0056) USER MOD Single : A 20 TYR OH : rot 18:sc= 0.686 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.966 USER MOD Single : A 24 GLN : amide:sc= -6.67! C(o=-6.7!,f=-9.5!) USER MOD Single : A 25 THR OG1 : rot -41:sc= 0.443 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.0311 K(o=-0.031,f=-0.6) USER MOD Single : A 54 HIS : no HD1:sc= -0.342 X(o=-0.34,f=-0.0057) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.37 X(o=-1.4,f=-1.3) USER MOD Single : A 75 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.00964) USER MOD Single : A 79 SER OG : rot 79:sc= 0.63 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.823) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.946 USER MOD Single : A 92 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-0.24) USER MOD Single : A 95 LYS NZ :NH3+ -106:sc= -0.811 (180deg=-2.41!) USER MOD Single : A 97 ASN : amide:sc= -0.519 X(o=-0.52,f=-0.047) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -1.5 K(o=-1.5,f=-8.3!) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.0212 USER MOD Single : A 108 SER OG : rot 180:sc= -1.07 USER MOD ----------------------------------------------------------------- ATOM 142 N ASN A 13 -10.328 -5.281 10.221 1.00 0.00 N ATOM 143 CA ASN A 13 -10.848 -5.977 9.050 1.00 0.00 C ATOM 144 C ASN A 13 -9.910 -5.812 7.858 1.00 0.00 C ATOM 145 O ASN A 13 -10.352 -5.752 6.711 1.00 0.00 O ATOM 146 CB ASN A 13 -12.240 -5.451 8.695 1.00 0.00 C ATOM 147 CG ASN A 13 -13.226 -5.609 9.836 1.00 0.00 C ATOM 148 OD1 ASN A 13 -13.594 -6.725 10.204 1.00 0.00 O ATOM 149 ND2 ASN A 13 -13.660 -4.488 10.402 1.00 0.00 N ATOM 0 HA ASN A 13 -10.918 -7.038 9.290 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -12.169 -4.398 8.423 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -12.614 -5.982 7.819 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -14.325 -4.531 11.174 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -13.328 -3.585 10.064 1.00 0.00 H new ATOM 156 N GLY A 14 -8.612 -5.740 8.138 1.00 0.00 N ATOM 157 CA GLY A 14 -7.633 -5.583 7.079 1.00 0.00 C ATOM 158 C GLY A 14 -6.892 -6.871 6.780 1.00 0.00 C ATOM 159 O GLY A 14 -7.474 -7.954 6.823 1.00 0.00 O ATOM 0 H GLY A 14 -8.222 -5.788 9.079 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.133 -5.237 6.174 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.916 -4.812 7.362 1.00 0.00 H new ATOM 163 N ALA A 15 -5.604 -6.753 6.474 1.00 0.00 N ATOM 164 CA ALA A 15 -4.782 -7.917 6.167 1.00 0.00 C ATOM 165 C ALA A 15 -3.331 -7.690 6.578 1.00 0.00 C ATOM 166 O ALA A 15 -2.678 -6.764 6.096 1.00 0.00 O ATOM 167 CB ALA A 15 -4.867 -8.246 4.683 1.00 0.00 C ATOM 0 H ALA A 15 -5.107 -5.863 6.432 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.165 -8.762 6.739 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.248 -9.117 4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.902 -8.461 4.417 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.512 -7.396 4.101 1.00 0.00 H new ATOM 173 N ASP A 16 -2.834 -8.538 7.471 1.00 0.00 N ATOM 174 CA ASP A 16 -1.460 -8.429 7.947 1.00 0.00 C ATOM 175 C ASP A 16 -0.489 -9.057 6.952 1.00 0.00 C ATOM 176 O ASP A 16 -0.423 -10.280 6.820 1.00 0.00 O ATOM 177 CB ASP A 16 -1.316 -9.102 9.313 1.00 0.00 C ATOM 178 CG ASP A 16 -0.030 -8.715 10.016 1.00 0.00 C ATOM 179 OD1 ASP A 16 1.033 -8.736 9.362 1.00 0.00 O ATOM 180 OD2 ASP A 16 -0.087 -8.391 11.221 1.00 0.00 O ATOM 0 H ASP A 16 -3.362 -9.309 7.880 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.218 -7.371 8.045 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.165 -8.830 9.940 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.346 -10.184 9.187 1.00 0.00 H new ATOM 185 N LEU A 17 0.262 -8.214 6.253 1.00 0.00 N ATOM 186 CA LEU A 17 1.229 -8.686 5.268 1.00 0.00 C ATOM 187 C LEU A 17 2.657 -8.489 5.770 1.00 0.00 C ATOM 188 O LEU A 17 2.947 -7.584 6.551 1.00 0.00 O ATOM 189 CB LEU A 17 1.037 -7.949 3.942 1.00 0.00 C ATOM 190 CG LEU A 17 -0.391 -7.505 3.621 1.00 0.00 C ATOM 191 CD1 LEU A 17 -0.379 -6.251 2.761 1.00 0.00 C ATOM 192 CD2 LEU A 17 -1.154 -8.624 2.927 1.00 0.00 C ATOM 0 H LEU A 17 0.220 -7.199 6.350 1.00 0.00 H new ATOM 0 HA LEU A 17 1.061 -9.752 5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.678 -7.068 3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.385 -8.596 3.136 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.899 -7.273 4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.404 -5.950 2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.129 -5.448 3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.146 -6.455 1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.168 -8.290 2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.648 -8.888 1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.193 -9.497 3.579 1.00 0.00 H new ATOM 204 N PRO A 18 3.570 -9.356 5.309 1.00 0.00 N ATOM 205 CA PRO A 18 4.983 -9.297 5.695 1.00 0.00 C ATOM 206 C PRO A 18 5.695 -8.083 5.107 1.00 0.00 C ATOM 207 O PRO A 18 6.745 -7.670 5.597 1.00 0.00 O ATOM 208 CB PRO A 18 5.564 -10.590 5.116 1.00 0.00 C ATOM 209 CG PRO A 18 4.667 -10.931 3.976 1.00 0.00 C ATOM 210 CD PRO A 18 3.295 -10.461 4.374 1.00 0.00 C ATOM 0 HA PRO A 18 5.107 -9.204 6.774 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.592 -10.448 4.782 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.578 -11.386 5.861 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.997 -10.441 3.060 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.671 -12.004 3.783 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.720 -10.124 3.512 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.720 -11.256 4.849 1.00 0.00 H new ATOM 218 N ASN A 19 5.115 -7.516 4.054 1.00 0.00 N ATOM 219 CA ASN A 19 5.694 -6.349 3.399 1.00 0.00 C ATOM 220 C ASN A 19 5.155 -5.059 4.009 1.00 0.00 C ATOM 221 O ASN A 19 5.854 -4.047 4.066 1.00 0.00 O ATOM 222 CB ASN A 19 5.396 -6.380 1.899 1.00 0.00 C ATOM 223 CG ASN A 19 6.210 -7.431 1.169 1.00 0.00 C ATOM 224 OD1 ASN A 19 5.660 -8.284 0.472 1.00 0.00 O ATOM 225 ND2 ASN A 19 7.527 -7.376 1.328 1.00 0.00 N ATOM 0 H ASN A 19 4.245 -7.846 3.636 1.00 0.00 H new ATOM 0 HA ASN A 19 6.773 -6.378 3.549 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.335 -6.576 1.746 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.604 -5.400 1.470 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.126 -8.058 0.863 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.940 -6.651 1.915 1.00 0.00 H new ATOM 232 N TYR A 20 3.908 -5.103 4.466 1.00 0.00 N ATOM 233 CA TYR A 20 3.274 -3.938 5.070 1.00 0.00 C ATOM 234 C TYR A 20 1.900 -4.295 5.631 1.00 0.00 C ATOM 235 O TYR A 20 1.286 -5.278 5.218 1.00 0.00 O ATOM 236 CB TYR A 20 3.141 -2.812 4.043 1.00 0.00 C ATOM 237 CG TYR A 20 2.670 -3.284 2.686 1.00 0.00 C ATOM 238 CD1 TYR A 20 1.354 -3.683 2.485 1.00 0.00 C ATOM 239 CD2 TYR A 20 3.541 -3.332 1.604 1.00 0.00 C ATOM 240 CE1 TYR A 20 0.920 -4.115 1.247 1.00 0.00 C ATOM 241 CE2 TYR A 20 3.115 -3.761 0.363 1.00 0.00 C ATOM 242 CZ TYR A 20 1.804 -4.152 0.189 1.00 0.00 C ATOM 243 OH TYR A 20 1.376 -4.582 -1.046 1.00 0.00 O ATOM 0 H TYR A 20 3.317 -5.933 4.429 1.00 0.00 H new ATOM 0 HA TYR A 20 3.905 -3.598 5.891 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.442 -2.066 4.422 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.106 -2.317 3.932 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.659 -3.655 3.311 1.00 0.00 H new ATOM 0 HD2 TYR A 20 4.569 -3.028 1.736 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.106 -4.422 1.108 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.805 -3.790 -0.467 1.00 0.00 H new ATOM 0 HH TYR A 20 0.397 -4.548 -1.083 1.00 0.00 H new ATOM 253 N ARG A 21 1.425 -3.487 6.573 1.00 0.00 N ATOM 254 CA ARG A 21 0.125 -3.716 7.192 1.00 0.00 C ATOM 255 C ARG A 21 -0.847 -2.591 6.848 1.00 0.00 C ATOM 256 O ARG A 21 -0.508 -1.412 6.950 1.00 0.00 O ATOM 257 CB ARG A 21 0.272 -3.832 8.710 1.00 0.00 C ATOM 258 CG ARG A 21 1.006 -2.660 9.342 1.00 0.00 C ATOM 259 CD ARG A 21 1.248 -2.889 10.825 1.00 0.00 C ATOM 260 NE ARG A 21 1.631 -1.659 11.514 1.00 0.00 N ATOM 261 CZ ARG A 21 2.859 -1.155 11.488 1.00 0.00 C ATOM 262 NH1 ARG A 21 3.819 -1.771 10.812 1.00 0.00 N ATOM 263 NH2 ARG A 21 3.130 -0.031 12.140 1.00 0.00 N ATOM 0 H ARG A 21 1.921 -2.668 6.924 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.276 -4.651 6.801 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.719 -3.913 9.157 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.805 -4.753 8.946 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.960 -2.511 8.835 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.425 -1.748 9.204 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.345 -3.294 11.281 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.032 -3.635 10.953 1.00 0.00 H new ATOM 0 HE ARG A 21 0.916 -1.160 12.044 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.615 -2.635 10.310 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.761 -1.381 10.794 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.395 0.446 12.661 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.074 0.356 12.120 1.00 0.00 H new ATOM 277 N TRP A 22 -2.054 -2.964 6.440 1.00 0.00 N ATOM 278 CA TRP A 22 -3.075 -1.986 6.080 1.00 0.00 C ATOM 279 C TRP A 22 -4.444 -2.413 6.598 1.00 0.00 C ATOM 280 O TRP A 22 -4.821 -3.581 6.499 1.00 0.00 O ATOM 281 CB TRP A 22 -3.124 -1.804 4.562 1.00 0.00 C ATOM 282 CG TRP A 22 -3.653 -3.005 3.837 1.00 0.00 C ATOM 283 CD1 TRP A 22 -2.926 -3.928 3.141 1.00 0.00 C ATOM 284 CD2 TRP A 22 -5.022 -3.410 3.735 1.00 0.00 C ATOM 285 NE1 TRP A 22 -3.761 -4.883 2.613 1.00 0.00 N ATOM 286 CE2 TRP A 22 -5.052 -4.588 2.963 1.00 0.00 C ATOM 287 CE3 TRP A 22 -6.226 -2.894 4.222 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -6.238 -5.255 2.669 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -7.402 -3.556 3.929 1.00 0.00 C ATOM 290 CH2 TRP A 22 -7.402 -4.727 3.158 1.00 0.00 C ATOM 0 H TRP A 22 -2.350 -3.936 6.350 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.812 -1.035 6.544 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.748 -0.942 4.326 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.121 -1.581 4.197 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -1.853 -3.910 3.023 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -3.467 -5.682 2.051 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -6.237 -1.993 4.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -6.239 -6.158 2.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -8.338 -3.165 4.300 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.338 -5.222 2.946 1.00 0.00 H new ATOM 301 N THR A 23 -5.187 -1.458 7.151 1.00 0.00 N ATOM 302 CA THR A 23 -6.514 -1.736 7.685 1.00 0.00 C ATOM 303 C THR A 23 -7.576 -0.897 6.984 1.00 0.00 C ATOM 304 O THR A 23 -7.286 0.185 6.473 1.00 0.00 O ATOM 305 CB THR A 23 -6.578 -1.464 9.200 1.00 0.00 C ATOM 306 OG1 THR A 23 -6.043 -0.167 9.487 1.00 0.00 O ATOM 307 CG2 THR A 23 -5.804 -2.521 9.973 1.00 0.00 C ATOM 0 H THR A 23 -4.891 -0.486 7.240 1.00 0.00 H new ATOM 0 HA THR A 23 -6.712 -2.792 7.504 1.00 0.00 H new ATOM 0 HB THR A 23 -7.622 -1.503 9.511 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.089 -0.000 10.452 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.864 -2.308 11.040 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.233 -3.503 9.775 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.760 -2.510 9.659 1.00 0.00 H new ATOM 315 N GLN A 24 -8.805 -1.401 6.964 1.00 0.00 N ATOM 316 CA GLN A 24 -9.910 -0.696 6.325 1.00 0.00 C ATOM 317 C GLN A 24 -11.130 -0.654 7.239 1.00 0.00 C ATOM 318 O GLN A 24 -11.513 -1.665 7.829 1.00 0.00 O ATOM 319 CB GLN A 24 -10.273 -1.369 5.000 1.00 0.00 C ATOM 320 CG GLN A 24 -10.858 -2.762 5.166 1.00 0.00 C ATOM 321 CD GLN A 24 -10.692 -3.616 3.924 1.00 0.00 C ATOM 322 OE1 GLN A 24 -10.182 -3.154 2.902 1.00 0.00 O ATOM 323 NE2 GLN A 24 -11.123 -4.869 4.005 1.00 0.00 N ATOM 0 H GLN A 24 -9.061 -2.295 7.383 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.591 0.328 6.129 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.990 -0.744 4.469 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.381 -1.430 4.377 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.376 -3.256 6.009 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.918 -2.681 5.407 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.539 -5.210 4.872 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -11.038 -5.491 3.201 1.00 0.00 H new ATOM 332 N THR A 25 -11.737 0.523 7.353 1.00 0.00 N ATOM 333 CA THR A 25 -12.913 0.698 8.196 1.00 0.00 C ATOM 334 C THR A 25 -14.024 1.424 7.446 1.00 0.00 C ATOM 335 O THR A 25 -13.887 1.737 6.263 1.00 0.00 O ATOM 336 CB THR A 25 -12.574 1.485 9.476 1.00 0.00 C ATOM 337 OG1 THR A 25 -12.099 2.793 9.136 1.00 0.00 O ATOM 338 CG2 THR A 25 -11.522 0.756 10.298 1.00 0.00 C ATOM 0 H THR A 25 -11.433 1.370 6.872 1.00 0.00 H new ATOM 0 HA THR A 25 -13.256 -0.299 8.471 1.00 0.00 H new ATOM 0 HB THR A 25 -13.482 1.572 10.073 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.496 2.732 8.366 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.299 1.331 11.197 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.898 -0.227 10.581 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.614 0.641 9.707 1.00 0.00 H new ATOM 346 N LEU A 26 -15.125 1.689 8.141 1.00 0.00 N ATOM 347 CA LEU A 26 -16.261 2.379 7.541 1.00 0.00 C ATOM 348 C LEU A 26 -16.042 3.889 7.538 1.00 0.00 C ATOM 349 O LEU A 26 -16.982 4.663 7.362 1.00 0.00 O ATOM 350 CB LEU A 26 -17.547 2.041 8.298 1.00 0.00 C ATOM 351 CG LEU A 26 -18.205 0.708 7.940 1.00 0.00 C ATOM 352 CD1 LEU A 26 -19.361 0.413 8.883 1.00 0.00 C ATOM 353 CD2 LEU A 26 -18.683 0.720 6.495 1.00 0.00 C ATOM 0 H LEU A 26 -15.255 1.436 9.121 1.00 0.00 H new ATOM 0 HA LEU A 26 -16.355 2.042 6.509 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -17.327 2.040 9.366 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -18.269 2.839 8.122 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.463 -0.083 8.050 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -19.817 -0.539 8.613 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.991 0.361 9.907 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -20.105 1.206 8.806 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -19.149 -0.237 6.258 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.410 1.521 6.359 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -17.833 0.884 5.832 1.00 0.00 H new ATOM 365 N ALA A 27 -14.793 4.300 7.732 1.00 0.00 N ATOM 366 CA ALA A 27 -14.449 5.717 7.747 1.00 0.00 C ATOM 367 C ALA A 27 -13.315 6.017 6.774 1.00 0.00 C ATOM 368 O ALA A 27 -13.396 6.956 5.982 1.00 0.00 O ATOM 369 CB ALA A 27 -14.068 6.152 9.155 1.00 0.00 C ATOM 0 H ALA A 27 -14.003 3.672 7.881 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.325 6.282 7.428 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.813 7.212 9.152 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.908 5.983 9.828 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.209 5.574 9.495 1.00 0.00 H new ATOM 375 N GLU A 28 -12.257 5.214 6.838 1.00 0.00 N ATOM 376 CA GLU A 28 -11.106 5.396 5.962 1.00 0.00 C ATOM 377 C GLU A 28 -10.219 4.154 5.963 1.00 0.00 C ATOM 378 O GLU A 28 -10.456 3.209 6.717 1.00 0.00 O ATOM 379 CB GLU A 28 -10.292 6.616 6.399 1.00 0.00 C ATOM 380 CG GLU A 28 -9.716 6.494 7.800 1.00 0.00 C ATOM 381 CD GLU A 28 -10.734 6.806 8.879 1.00 0.00 C ATOM 382 OE1 GLU A 28 -11.190 7.967 8.945 1.00 0.00 O ATOM 383 OE2 GLU A 28 -11.074 5.891 9.658 1.00 0.00 O ATOM 0 H GLU A 28 -12.174 4.432 7.487 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.475 5.557 4.949 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.477 6.770 5.692 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.926 7.501 6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.336 5.483 7.946 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.867 7.171 7.900 1.00 0.00 H new ATOM 390 N LEU A 29 -9.199 4.162 5.113 1.00 0.00 N ATOM 391 CA LEU A 29 -8.276 3.037 5.014 1.00 0.00 C ATOM 392 C LEU A 29 -6.878 3.435 5.477 1.00 0.00 C ATOM 393 O LEU A 29 -6.285 4.377 4.951 1.00 0.00 O ATOM 394 CB LEU A 29 -8.222 2.521 3.575 1.00 0.00 C ATOM 395 CG LEU A 29 -7.927 1.030 3.406 1.00 0.00 C ATOM 396 CD1 LEU A 29 -8.575 0.499 2.137 1.00 0.00 C ATOM 397 CD2 LEU A 29 -6.426 0.782 3.386 1.00 0.00 C ATOM 0 H LEU A 29 -8.990 4.935 4.482 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.641 2.242 5.665 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.177 2.738 3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.460 3.085 3.037 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.351 0.496 4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.355 -0.563 2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.654 0.642 2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.181 1.037 1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.235 -0.284 3.265 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.978 1.327 2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.988 1.125 4.323 1.00 0.00 H new ATOM 409 N ASP A 30 -6.358 2.712 6.462 1.00 0.00 N ATOM 410 CA ASP A 30 -5.028 2.988 6.993 1.00 0.00 C ATOM 411 C ASP A 30 -3.992 2.053 6.378 1.00 0.00 C ATOM 412 O ASP A 30 -4.235 0.855 6.223 1.00 0.00 O ATOM 413 CB ASP A 30 -5.024 2.842 8.516 1.00 0.00 C ATOM 414 CG ASP A 30 -5.844 3.917 9.203 1.00 0.00 C ATOM 415 OD1 ASP A 30 -6.825 4.393 8.595 1.00 0.00 O ATOM 416 OD2 ASP A 30 -5.504 4.282 10.348 1.00 0.00 O ATOM 0 H ASP A 30 -6.837 1.930 6.909 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.765 4.013 6.733 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.417 1.862 8.785 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.997 2.884 8.879 1.00 0.00 H new ATOM 421 N LEU A 31 -2.837 2.607 6.027 1.00 0.00 N ATOM 422 CA LEU A 31 -1.763 1.824 5.426 1.00 0.00 C ATOM 423 C LEU A 31 -0.420 2.161 6.065 1.00 0.00 C ATOM 424 O LEU A 31 -0.088 3.331 6.255 1.00 0.00 O ATOM 425 CB LEU A 31 -1.702 2.077 3.919 1.00 0.00 C ATOM 426 CG LEU A 31 -0.337 1.875 3.259 1.00 0.00 C ATOM 427 CD1 LEU A 31 0.102 0.424 3.376 1.00 0.00 C ATOM 428 CD2 LEU A 31 -0.381 2.305 1.800 1.00 0.00 C ATOM 0 H LEU A 31 -2.620 3.596 6.148 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.974 0.769 5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.420 1.418 3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.027 3.100 3.729 1.00 0.00 H new ATOM 0 HG LEU A 31 0.392 2.497 3.778 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.075 0.299 2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.174 0.149 4.428 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.628 -0.218 2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.599 2.154 1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.123 1.710 1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.650 3.359 1.739 1.00 0.00 H new ATOM 440 N ALA A 32 0.350 1.128 6.392 1.00 0.00 N ATOM 441 CA ALA A 32 1.659 1.316 7.005 1.00 0.00 C ATOM 442 C ALA A 32 2.708 0.432 6.340 1.00 0.00 C ATOM 443 O ALA A 32 2.626 -0.795 6.394 1.00 0.00 O ATOM 444 CB ALA A 32 1.589 1.024 8.497 1.00 0.00 C ATOM 0 H ALA A 32 0.090 0.153 6.243 1.00 0.00 H new ATOM 0 HA ALA A 32 1.954 2.355 6.862 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.573 1.168 8.943 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.875 1.701 8.967 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.268 -0.006 8.651 1.00 0.00 H new ATOM 450 N VAL A 33 3.695 1.064 5.712 1.00 0.00 N ATOM 451 CA VAL A 33 4.761 0.334 5.036 1.00 0.00 C ATOM 452 C VAL A 33 6.086 0.487 5.775 1.00 0.00 C ATOM 453 O VAL A 33 6.793 1.484 5.634 1.00 0.00 O ATOM 454 CB VAL A 33 4.938 0.817 3.584 1.00 0.00 C ATOM 455 CG1 VAL A 33 6.160 0.168 2.950 1.00 0.00 C ATOM 456 CG2 VAL A 33 3.687 0.525 2.770 1.00 0.00 C ATOM 0 H VAL A 33 3.778 2.079 5.657 1.00 0.00 H new ATOM 0 HA VAL A 33 4.471 -0.717 5.030 1.00 0.00 H new ATOM 0 HB VAL A 33 5.094 1.896 3.595 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.269 0.521 1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.050 0.432 3.521 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.038 -0.915 2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.829 0.873 1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.498 -0.549 2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.836 1.041 3.214 1.00 0.00 H new ATOM 466 N PRO A 34 6.432 -0.526 6.584 1.00 0.00 N ATOM 467 CA PRO A 34 7.674 -0.529 7.361 1.00 0.00 C ATOM 468 C PRO A 34 8.909 -0.681 6.480 1.00 0.00 C ATOM 469 O PRO A 34 9.029 -1.645 5.723 1.00 0.00 O ATOM 470 CB PRO A 34 7.517 -1.745 8.277 1.00 0.00 C ATOM 471 CG PRO A 34 6.579 -2.647 7.551 1.00 0.00 C ATOM 472 CD PRO A 34 5.637 -1.746 6.801 1.00 0.00 C ATOM 0 HA PRO A 34 7.821 0.409 7.897 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.476 -2.232 8.456 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.118 -1.459 9.250 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.118 -3.303 6.868 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.036 -3.287 8.246 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.320 -2.192 5.858 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.734 -1.540 7.376 1.00 0.00 H new ATOM 480 N PHE A 35 9.826 0.275 6.584 1.00 0.00 N ATOM 481 CA PHE A 35 11.053 0.247 5.795 1.00 0.00 C ATOM 482 C PHE A 35 12.252 -0.113 6.668 1.00 0.00 C ATOM 483 O PHE A 35 12.363 0.341 7.807 1.00 0.00 O ATOM 484 CB PHE A 35 11.284 1.602 5.124 1.00 0.00 C ATOM 485 CG PHE A 35 10.456 1.808 3.888 1.00 0.00 C ATOM 486 CD1 PHE A 35 10.702 1.068 2.742 1.00 0.00 C ATOM 487 CD2 PHE A 35 9.432 2.740 3.871 1.00 0.00 C ATOM 488 CE1 PHE A 35 9.943 1.256 1.603 1.00 0.00 C ATOM 489 CE2 PHE A 35 8.668 2.933 2.735 1.00 0.00 C ATOM 490 CZ PHE A 35 8.924 2.189 1.600 1.00 0.00 C ATOM 0 H PHE A 35 9.743 1.079 7.207 1.00 0.00 H new ATOM 0 HA PHE A 35 10.944 -0.517 5.025 1.00 0.00 H new ATOM 0 HB2 PHE A 35 11.060 2.395 5.838 1.00 0.00 H new ATOM 0 HB3 PHE A 35 12.339 1.695 4.865 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.496 0.336 2.739 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.228 3.324 4.756 1.00 0.00 H new ATOM 0 HE1 PHE A 35 10.146 0.674 0.716 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.873 3.664 2.735 1.00 0.00 H new ATOM 0 HZ PHE A 35 8.328 2.336 0.711 1.00 0.00 H new ATOM 500 N ARG A 36 13.147 -0.932 6.125 1.00 0.00 N ATOM 501 CA ARG A 36 14.337 -1.354 6.853 1.00 0.00 C ATOM 502 C ARG A 36 15.411 -0.271 6.815 1.00 0.00 C ATOM 503 O ARG A 36 16.570 -0.541 6.498 1.00 0.00 O ATOM 504 CB ARG A 36 14.887 -2.654 6.263 1.00 0.00 C ATOM 505 CG ARG A 36 15.282 -2.540 4.800 1.00 0.00 C ATOM 506 CD ARG A 36 15.125 -3.867 4.075 1.00 0.00 C ATOM 507 NE ARG A 36 15.323 -3.732 2.635 1.00 0.00 N ATOM 508 CZ ARG A 36 14.850 -4.595 1.743 1.00 0.00 C ATOM 509 NH1 ARG A 36 14.153 -5.650 2.142 1.00 0.00 N ATOM 510 NH2 ARG A 36 15.072 -4.403 0.449 1.00 0.00 N ATOM 0 H ARG A 36 13.070 -1.316 5.183 1.00 0.00 H new ATOM 0 HA ARG A 36 14.055 -1.525 7.892 1.00 0.00 H new ATOM 0 HB2 ARG A 36 15.756 -2.967 6.842 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.136 -3.437 6.368 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.666 -1.784 4.314 1.00 0.00 H new ATOM 0 HG3 ARG A 36 16.316 -2.204 4.726 1.00 0.00 H new ATOM 0 HD2 ARG A 36 15.842 -4.585 4.474 1.00 0.00 H new ATOM 0 HD3 ARG A 36 14.131 -4.270 4.268 1.00 0.00 H new ATOM 0 HE ARG A 36 15.854 -2.930 2.295 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.979 -5.800 3.136 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.791 -6.311 1.455 1.00 0.00 H new ATOM 0 HH21 ARG A 36 15.607 -3.592 0.138 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.708 -5.067 -0.235 1.00 0.00 H new ATOM 524 N VAL A 37 15.018 0.957 7.139 1.00 0.00 N ATOM 525 CA VAL A 37 15.946 2.081 7.142 1.00 0.00 C ATOM 526 C VAL A 37 16.593 2.256 8.511 1.00 0.00 C ATOM 527 O VAL A 37 16.015 1.888 9.534 1.00 0.00 O ATOM 528 CB VAL A 37 15.241 3.393 6.749 1.00 0.00 C ATOM 529 CG1 VAL A 37 14.605 3.266 5.373 1.00 0.00 C ATOM 530 CG2 VAL A 37 14.201 3.772 7.793 1.00 0.00 C ATOM 0 H VAL A 37 14.063 1.198 7.403 1.00 0.00 H new ATOM 0 HA VAL A 37 16.717 1.856 6.405 1.00 0.00 H new ATOM 0 HB VAL A 37 15.986 4.187 6.707 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.112 4.202 5.112 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.376 3.044 4.635 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.871 2.460 5.384 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.713 4.701 7.499 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.457 2.979 7.870 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.688 3.907 8.759 1.00 0.00 H new ATOM 540 N SER A 38 17.797 2.820 8.524 1.00 0.00 N ATOM 541 CA SER A 38 18.525 3.041 9.768 1.00 0.00 C ATOM 542 C SER A 38 18.715 4.532 10.029 1.00 0.00 C ATOM 543 O SER A 38 19.572 4.932 10.817 1.00 0.00 O ATOM 544 CB SER A 38 19.885 2.343 9.718 1.00 0.00 C ATOM 545 OG SER A 38 19.769 0.973 10.063 1.00 0.00 O ATOM 0 H SER A 38 18.289 3.132 7.687 1.00 0.00 H new ATOM 0 HA SER A 38 17.938 2.619 10.584 1.00 0.00 H new ATOM 0 HB2 SER A 38 20.308 2.435 8.717 1.00 0.00 H new ATOM 0 HB3 SER A 38 20.576 2.836 10.402 1.00 0.00 H new ATOM 0 HG SER A 38 20.652 0.549 10.022 1.00 0.00 H new ATOM 551 N PHE A 39 17.909 5.350 9.360 1.00 0.00 N ATOM 552 CA PHE A 39 17.988 6.798 9.518 1.00 0.00 C ATOM 553 C PHE A 39 16.604 7.432 9.415 1.00 0.00 C ATOM 554 O PHE A 39 15.603 6.738 9.235 1.00 0.00 O ATOM 555 CB PHE A 39 18.916 7.398 8.460 1.00 0.00 C ATOM 556 CG PHE A 39 18.645 6.896 7.071 1.00 0.00 C ATOM 557 CD1 PHE A 39 17.463 7.217 6.422 1.00 0.00 C ATOM 558 CD2 PHE A 39 19.572 6.102 6.414 1.00 0.00 C ATOM 559 CE1 PHE A 39 17.211 6.757 5.143 1.00 0.00 C ATOM 560 CE2 PHE A 39 19.325 5.640 5.135 1.00 0.00 C ATOM 561 CZ PHE A 39 18.143 5.966 4.499 1.00 0.00 C ATOM 0 H PHE A 39 17.194 5.035 8.704 1.00 0.00 H new ATOM 0 HA PHE A 39 18.393 7.009 10.508 1.00 0.00 H new ATOM 0 HB2 PHE A 39 18.814 8.483 8.472 1.00 0.00 H new ATOM 0 HB3 PHE A 39 19.949 7.172 8.724 1.00 0.00 H new ATOM 0 HD1 PHE A 39 16.730 7.834 6.921 1.00 0.00 H new ATOM 0 HD2 PHE A 39 20.497 5.842 6.907 1.00 0.00 H new ATOM 0 HE1 PHE A 39 16.287 7.016 4.648 1.00 0.00 H new ATOM 0 HE2 PHE A 39 20.056 5.024 4.633 1.00 0.00 H new ATOM 0 HZ PHE A 39 17.948 5.603 3.501 1.00 0.00 H new ATOM 571 N ARG A 40 16.556 8.755 9.531 1.00 0.00 N ATOM 572 CA ARG A 40 15.296 9.484 9.453 1.00 0.00 C ATOM 573 C ARG A 40 14.855 9.655 8.002 1.00 0.00 C ATOM 574 O ARG A 40 15.520 10.329 7.216 1.00 0.00 O ATOM 575 CB ARG A 40 15.432 10.854 10.121 1.00 0.00 C ATOM 576 CG ARG A 40 14.121 11.616 10.220 1.00 0.00 C ATOM 577 CD ARG A 40 14.115 12.562 11.411 1.00 0.00 C ATOM 578 NE ARG A 40 14.702 13.859 11.082 1.00 0.00 N ATOM 579 CZ ARG A 40 14.902 14.822 11.974 1.00 0.00 C ATOM 580 NH1 ARG A 40 14.565 14.636 13.243 1.00 0.00 N ATOM 581 NH2 ARG A 40 15.441 15.975 11.598 1.00 0.00 N ATOM 0 H ARG A 40 17.375 9.344 9.679 1.00 0.00 H new ATOM 0 HA ARG A 40 14.537 8.905 9.979 1.00 0.00 H new ATOM 0 HB2 ARG A 40 15.842 10.721 11.122 1.00 0.00 H new ATOM 0 HB3 ARG A 40 16.149 11.453 9.560 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.958 12.183 9.303 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.295 10.911 10.310 1.00 0.00 H new ATOM 0 HD2 ARG A 40 13.091 12.704 11.756 1.00 0.00 H new ATOM 0 HD3 ARG A 40 14.669 12.112 12.235 1.00 0.00 H new ATOM 0 HE ARG A 40 14.973 14.034 10.114 1.00 0.00 H new ATOM 0 HH11 ARG A 40 14.151 13.751 13.536 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.720 15.378 13.926 1.00 0.00 H new ATOM 0 HH21 ARG A 40 15.702 16.122 10.623 1.00 0.00 H new ATOM 0 HH22 ARG A 40 15.594 16.714 12.284 1.00 0.00 H new ATOM 595 N LEU A 41 13.731 9.039 7.655 1.00 0.00 N ATOM 596 CA LEU A 41 13.201 9.122 6.298 1.00 0.00 C ATOM 597 C LEU A 41 12.727 10.537 5.984 1.00 0.00 C ATOM 598 O LEU A 41 12.091 11.189 6.813 1.00 0.00 O ATOM 599 CB LEU A 41 12.047 8.134 6.119 1.00 0.00 C ATOM 600 CG LEU A 41 12.442 6.684 5.834 1.00 0.00 C ATOM 601 CD1 LEU A 41 11.226 5.774 5.909 1.00 0.00 C ATOM 602 CD2 LEU A 41 13.111 6.572 4.472 1.00 0.00 C ATOM 0 H LEU A 41 13.169 8.477 8.294 1.00 0.00 H new ATOM 0 HA LEU A 41 14.002 8.865 5.605 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.436 8.152 7.022 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.418 8.485 5.301 1.00 0.00 H new ATOM 0 HG LEU A 41 13.155 6.366 6.595 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.527 4.747 5.703 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.789 5.832 6.906 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.489 6.091 5.171 1.00 0.00 H new ATOM 0 HD21 LEU A 41 13.385 5.534 4.286 1.00 0.00 H new ATOM 0 HD22 LEU A 41 12.421 6.909 3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 41 14.007 7.193 4.454 1.00 0.00 H new ATOM 614 N LYS A 42 13.039 11.007 4.781 1.00 0.00 N ATOM 615 CA LYS A 42 12.642 12.343 4.354 1.00 0.00 C ATOM 616 C LYS A 42 11.603 12.273 3.240 1.00 0.00 C ATOM 617 O LYS A 42 11.700 11.441 2.339 1.00 0.00 O ATOM 618 CB LYS A 42 13.864 13.132 3.877 1.00 0.00 C ATOM 619 CG LYS A 42 14.976 13.214 4.909 1.00 0.00 C ATOM 620 CD LYS A 42 14.787 14.401 5.839 1.00 0.00 C ATOM 621 CE LYS A 42 15.882 14.463 6.893 1.00 0.00 C ATOM 622 NZ LYS A 42 15.750 15.667 7.760 1.00 0.00 N ATOM 0 H LYS A 42 13.566 10.481 4.084 1.00 0.00 H new ATOM 0 HA LYS A 42 12.198 12.853 5.209 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.254 12.669 2.971 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.552 14.142 3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 42 15.001 12.294 5.493 1.00 0.00 H new ATOM 0 HG3 LYS A 42 15.938 13.297 4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.787 15.323 5.258 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.815 14.331 6.327 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.843 13.565 7.510 1.00 0.00 H new ATOM 0 HE3 LYS A 42 16.856 14.472 6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 16.515 15.673 8.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 15.812 16.525 7.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.831 15.646 8.246 1.00 0.00 H new ATOM 636 N GLY A 43 10.609 13.153 3.308 1.00 0.00 N ATOM 637 CA GLY A 43 9.567 13.175 2.298 1.00 0.00 C ATOM 638 C GLY A 43 10.112 12.978 0.898 1.00 0.00 C ATOM 639 O GLY A 43 9.500 12.297 0.075 1.00 0.00 O ATOM 0 H GLY A 43 10.507 13.851 4.045 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.839 12.393 2.514 1.00 0.00 H new ATOM 0 HA3 GLY A 43 9.037 14.126 2.348 1.00 0.00 H new ATOM 643 N LYS A 44 11.267 13.577 0.625 1.00 0.00 N ATOM 644 CA LYS A 44 11.896 13.465 -0.686 1.00 0.00 C ATOM 645 C LYS A 44 12.475 12.069 -0.894 1.00 0.00 C ATOM 646 O LYS A 44 12.402 11.513 -1.990 1.00 0.00 O ATOM 647 CB LYS A 44 12.999 14.514 -0.836 1.00 0.00 C ATOM 648 CG LYS A 44 14.113 14.377 0.188 1.00 0.00 C ATOM 649 CD LYS A 44 14.845 15.692 0.395 1.00 0.00 C ATOM 650 CE LYS A 44 15.548 15.733 1.743 1.00 0.00 C ATOM 651 NZ LYS A 44 16.923 15.166 1.669 1.00 0.00 N ATOM 0 H LYS A 44 11.786 14.145 1.294 1.00 0.00 H new ATOM 0 HA LYS A 44 11.132 13.639 -1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.425 14.440 -1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.558 15.507 -0.750 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.697 14.038 1.137 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.819 13.614 -0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.575 15.832 -0.402 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.137 16.518 0.327 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.599 16.763 2.095 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.964 15.175 2.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.369 15.212 2.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.874 14.175 1.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.489 15.714 0.990 1.00 0.00 H new ATOM 665 N ASP A 45 13.050 11.508 0.164 1.00 0.00 N ATOM 666 CA ASP A 45 13.639 10.176 0.098 1.00 0.00 C ATOM 667 C ASP A 45 12.600 9.142 -0.322 1.00 0.00 C ATOM 668 O ASP A 45 12.887 8.242 -1.111 1.00 0.00 O ATOM 669 CB ASP A 45 14.240 9.793 1.451 1.00 0.00 C ATOM 670 CG ASP A 45 15.464 10.619 1.796 1.00 0.00 C ATOM 671 OD1 ASP A 45 15.513 11.803 1.399 1.00 0.00 O ATOM 672 OD2 ASP A 45 16.373 10.083 2.463 1.00 0.00 O ATOM 0 H ASP A 45 13.121 11.955 1.078 1.00 0.00 H new ATOM 0 HA ASP A 45 14.431 10.193 -0.651 1.00 0.00 H new ATOM 0 HB2 ASP A 45 13.487 9.922 2.229 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.509 8.737 1.440 1.00 0.00 H new ATOM 677 N VAL A 46 11.390 9.276 0.213 1.00 0.00 N ATOM 678 CA VAL A 46 10.307 8.353 -0.106 1.00 0.00 C ATOM 679 C VAL A 46 9.452 8.884 -1.251 1.00 0.00 C ATOM 680 O VAL A 46 9.286 10.094 -1.408 1.00 0.00 O ATOM 681 CB VAL A 46 9.406 8.100 1.118 1.00 0.00 C ATOM 682 CG1 VAL A 46 10.204 7.460 2.244 1.00 0.00 C ATOM 683 CG2 VAL A 46 8.760 9.397 1.581 1.00 0.00 C ATOM 0 H VAL A 46 11.135 10.014 0.869 1.00 0.00 H new ATOM 0 HA VAL A 46 10.770 7.414 -0.407 1.00 0.00 H new ATOM 0 HB VAL A 46 8.613 7.410 0.828 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.552 7.289 3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.614 6.509 1.904 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.018 8.123 2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.127 9.200 2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.536 10.112 1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.154 9.810 0.775 1.00 0.00 H new ATOM 693 N VAL A 47 8.910 7.970 -2.051 1.00 0.00 N ATOM 694 CA VAL A 47 8.070 8.346 -3.181 1.00 0.00 C ATOM 695 C VAL A 47 6.671 7.754 -3.048 1.00 0.00 C ATOM 696 O VAL A 47 6.457 6.572 -3.316 1.00 0.00 O ATOM 697 CB VAL A 47 8.685 7.884 -4.516 1.00 0.00 C ATOM 698 CG1 VAL A 47 7.759 8.219 -5.675 1.00 0.00 C ATOM 699 CG2 VAL A 47 10.055 8.515 -4.717 1.00 0.00 C ATOM 0 H VAL A 47 9.038 6.965 -1.937 1.00 0.00 H new ATOM 0 HA VAL A 47 8.003 9.434 -3.177 1.00 0.00 H new ATOM 0 HB VAL A 47 8.810 6.802 -4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.210 7.885 -6.609 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.803 7.716 -5.534 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.600 9.297 -5.714 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.475 8.178 -5.665 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.957 9.601 -4.729 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.715 8.219 -3.902 1.00 0.00 H new ATOM 709 N VAL A 48 5.720 8.584 -2.631 1.00 0.00 N ATOM 710 CA VAL A 48 4.340 8.144 -2.463 1.00 0.00 C ATOM 711 C VAL A 48 3.398 8.932 -3.367 1.00 0.00 C ATOM 712 O VAL A 48 3.220 10.138 -3.194 1.00 0.00 O ATOM 713 CB VAL A 48 3.878 8.294 -1.002 1.00 0.00 C ATOM 714 CG1 VAL A 48 2.375 8.085 -0.893 1.00 0.00 C ATOM 715 CG2 VAL A 48 4.626 7.321 -0.104 1.00 0.00 C ATOM 0 H VAL A 48 5.880 9.565 -2.403 1.00 0.00 H new ATOM 0 HA VAL A 48 4.307 7.090 -2.740 1.00 0.00 H new ATOM 0 HB VAL A 48 4.105 9.307 -0.670 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.067 8.195 0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.859 8.826 -1.504 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.120 7.085 -1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.287 7.441 0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.433 6.300 -0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.696 7.524 -0.159 1.00 0.00 H new ATOM 725 N ASP A 49 2.797 8.242 -4.330 1.00 0.00 N ATOM 726 CA ASP A 49 1.871 8.877 -5.261 1.00 0.00 C ATOM 727 C ASP A 49 0.441 8.409 -5.007 1.00 0.00 C ATOM 728 O ASP A 49 0.121 7.234 -5.185 1.00 0.00 O ATOM 729 CB ASP A 49 2.273 8.569 -6.704 1.00 0.00 C ATOM 730 CG ASP A 49 1.726 9.584 -7.687 1.00 0.00 C ATOM 731 OD1 ASP A 49 0.705 10.230 -7.367 1.00 0.00 O ATOM 732 OD2 ASP A 49 2.317 9.734 -8.776 1.00 0.00 O ATOM 0 H ASP A 49 2.934 7.243 -4.486 1.00 0.00 H new ATOM 0 HA ASP A 49 1.916 9.954 -5.102 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.360 8.546 -6.778 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.914 7.576 -6.974 1.00 0.00 H new ATOM 737 N ILE A 50 -0.414 9.337 -4.591 1.00 0.00 N ATOM 738 CA ILE A 50 -1.809 9.020 -4.313 1.00 0.00 C ATOM 739 C ILE A 50 -2.723 9.546 -5.415 1.00 0.00 C ATOM 740 O ILE A 50 -2.614 10.702 -5.825 1.00 0.00 O ATOM 741 CB ILE A 50 -2.262 9.606 -2.963 1.00 0.00 C ATOM 742 CG1 ILE A 50 -1.354 9.110 -1.836 1.00 0.00 C ATOM 743 CG2 ILE A 50 -3.712 9.237 -2.685 1.00 0.00 C ATOM 744 CD1 ILE A 50 -1.422 9.959 -0.587 1.00 0.00 C ATOM 0 H ILE A 50 -0.165 10.314 -4.439 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.883 7.933 -4.271 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.187 10.692 -3.012 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.628 8.085 -1.584 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.325 9.086 -2.194 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.017 9.658 -1.727 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.347 9.636 -3.476 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.811 8.152 -2.652 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.753 9.548 0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.119 10.979 -0.824 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.443 9.963 -0.205 1.00 0.00 H new ATOM 756 N GLN A 51 -3.623 8.691 -5.889 1.00 0.00 N ATOM 757 CA GLN A 51 -4.556 9.071 -6.943 1.00 0.00 C ATOM 758 C GLN A 51 -5.984 8.691 -6.568 1.00 0.00 C ATOM 759 O GLN A 51 -6.221 8.078 -5.528 1.00 0.00 O ATOM 760 CB GLN A 51 -4.167 8.402 -8.263 1.00 0.00 C ATOM 761 CG GLN A 51 -2.980 9.056 -8.951 1.00 0.00 C ATOM 762 CD GLN A 51 -2.836 8.630 -10.398 1.00 0.00 C ATOM 763 OE1 GLN A 51 -3.822 8.525 -11.128 1.00 0.00 O ATOM 764 NE2 GLN A 51 -1.602 8.381 -10.823 1.00 0.00 N ATOM 0 H GLN A 51 -3.726 7.731 -5.560 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.507 10.153 -7.064 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.935 7.354 -8.075 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.023 8.422 -8.937 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.090 10.139 -8.905 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.068 8.805 -8.410 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.813 8.480 -10.184 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.444 8.090 -11.788 1.00 0.00 H new ATOM 773 N ARG A 52 -6.933 9.060 -7.423 1.00 0.00 N ATOM 774 CA ARG A 52 -8.339 8.760 -7.180 1.00 0.00 C ATOM 775 C ARG A 52 -8.552 7.259 -7.009 1.00 0.00 C ATOM 776 O ARG A 52 -9.176 6.816 -6.044 1.00 0.00 O ATOM 777 CB ARG A 52 -9.200 9.280 -8.333 1.00 0.00 C ATOM 778 CG ARG A 52 -10.683 9.341 -8.006 1.00 0.00 C ATOM 779 CD ARG A 52 -11.006 10.520 -7.100 1.00 0.00 C ATOM 780 NE ARG A 52 -10.985 11.788 -7.825 1.00 0.00 N ATOM 781 CZ ARG A 52 -11.544 12.903 -7.369 1.00 0.00 C ATOM 782 NH1 ARG A 52 -12.164 12.908 -6.197 1.00 0.00 N ATOM 783 NH2 ARG A 52 -11.483 14.018 -8.087 1.00 0.00 N ATOM 0 H ARG A 52 -6.754 9.567 -8.290 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.638 9.260 -6.259 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.857 10.276 -8.611 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.054 8.639 -9.202 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.257 9.422 -8.929 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.988 8.414 -7.521 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.989 10.375 -6.652 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.286 10.557 -6.283 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.516 11.819 -8.730 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.213 12.053 -5.642 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.592 13.766 -5.850 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.007 14.018 -8.989 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.912 14.874 -7.737 1.00 0.00 H new ATOM 797 N ARG A 53 -8.031 6.481 -7.952 1.00 0.00 N ATOM 798 CA ARG A 53 -8.166 5.030 -7.907 1.00 0.00 C ATOM 799 C ARG A 53 -6.815 4.351 -8.115 1.00 0.00 C ATOM 800 O ARG A 53 -6.723 3.318 -8.779 1.00 0.00 O ATOM 801 CB ARG A 53 -9.156 4.555 -8.972 1.00 0.00 C ATOM 802 CG ARG A 53 -9.910 3.293 -8.584 1.00 0.00 C ATOM 803 CD ARG A 53 -11.228 3.179 -9.333 1.00 0.00 C ATOM 804 NE ARG A 53 -12.044 2.072 -8.839 1.00 0.00 N ATOM 805 CZ ARG A 53 -13.133 1.630 -9.457 1.00 0.00 C ATOM 806 NH1 ARG A 53 -13.536 2.198 -10.586 1.00 0.00 N ATOM 807 NH2 ARG A 53 -13.823 0.618 -8.946 1.00 0.00 N ATOM 0 H ARG A 53 -7.511 6.831 -8.757 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.543 4.756 -6.922 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.874 5.351 -9.169 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.617 4.375 -9.902 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.293 2.420 -8.796 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.099 3.297 -7.511 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.783 4.112 -9.233 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.030 3.038 -10.396 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.762 1.614 -7.972 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.009 2.976 -10.982 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.373 1.856 -11.058 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.517 0.179 -8.078 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.659 0.279 -9.422 1.00 0.00 H new ATOM 821 N HIS A 54 -5.769 4.940 -7.543 1.00 0.00 N ATOM 822 CA HIS A 54 -4.423 4.392 -7.665 1.00 0.00 C ATOM 823 C HIS A 54 -3.508 4.950 -6.578 1.00 0.00 C ATOM 824 O HIS A 54 -3.530 6.147 -6.289 1.00 0.00 O ATOM 825 CB HIS A 54 -3.845 4.707 -9.045 1.00 0.00 C ATOM 826 CG HIS A 54 -2.873 3.678 -9.536 1.00 0.00 C ATOM 827 ND1 HIS A 54 -2.835 3.243 -10.844 1.00 0.00 N ATOM 828 CD2 HIS A 54 -1.899 2.999 -8.887 1.00 0.00 C ATOM 829 CE1 HIS A 54 -1.880 2.339 -10.977 1.00 0.00 C ATOM 830 NE2 HIS A 54 -1.296 2.174 -9.804 1.00 0.00 N ATOM 0 H HIS A 54 -5.828 5.796 -6.991 1.00 0.00 H new ATOM 0 HA HIS A 54 -4.485 3.311 -7.543 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -4.662 4.794 -9.761 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -3.348 5.677 -9.009 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -1.643 3.089 -7.842 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -1.621 1.823 -11.890 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -0.523 1.537 -9.611 1.00 0.00 H new ATOM 839 N LEU A 55 -2.707 4.076 -5.980 1.00 0.00 N ATOM 840 CA LEU A 55 -1.786 4.481 -4.924 1.00 0.00 C ATOM 841 C LEU A 55 -0.405 3.870 -5.143 1.00 0.00 C ATOM 842 O LEU A 55 -0.283 2.740 -5.613 1.00 0.00 O ATOM 843 CB LEU A 55 -2.330 4.063 -3.557 1.00 0.00 C ATOM 844 CG LEU A 55 -1.357 4.182 -2.383 1.00 0.00 C ATOM 845 CD1 LEU A 55 -1.065 5.642 -2.076 1.00 0.00 C ATOM 846 CD2 LEU A 55 -1.917 3.479 -1.154 1.00 0.00 C ATOM 0 H LEU A 55 -2.676 3.082 -6.208 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.692 5.567 -4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.209 4.669 -3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.665 3.028 -3.622 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.421 3.697 -2.661 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.371 5.706 -1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.621 6.116 -2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.993 6.152 -1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.212 3.573 -0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.866 3.936 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.074 2.424 -1.378 1.00 0.00 H new ATOM 858 N ARG A 56 0.632 4.626 -4.796 1.00 0.00 N ATOM 859 CA ARG A 56 2.004 4.159 -4.953 1.00 0.00 C ATOM 860 C ARG A 56 2.844 4.518 -3.731 1.00 0.00 C ATOM 861 O ARG A 56 2.735 5.620 -3.192 1.00 0.00 O ATOM 862 CB ARG A 56 2.630 4.763 -6.212 1.00 0.00 C ATOM 863 CG ARG A 56 3.950 4.120 -6.604 1.00 0.00 C ATOM 864 CD ARG A 56 4.855 5.104 -7.328 1.00 0.00 C ATOM 865 NE ARG A 56 4.454 5.295 -8.719 1.00 0.00 N ATOM 866 CZ ARG A 56 4.737 4.435 -9.691 1.00 0.00 C ATOM 867 NH1 ARG A 56 5.419 3.330 -9.425 1.00 0.00 N ATOM 868 NH2 ARG A 56 4.337 4.679 -10.932 1.00 0.00 N ATOM 0 H ARG A 56 0.548 5.564 -4.404 1.00 0.00 H new ATOM 0 HA ARG A 56 1.983 3.074 -5.051 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.928 4.665 -7.040 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.788 5.830 -6.053 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.454 3.749 -5.712 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.760 3.259 -7.245 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.835 6.063 -6.810 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.883 4.744 -7.293 1.00 0.00 H new ATOM 0 HE ARG A 56 3.927 6.135 -8.958 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.728 3.138 -8.472 1.00 0.00 H new ATOM 0 HH12 ARG A 56 5.635 2.671 -10.173 1.00 0.00 H new ATOM 0 HH21 ARG A 56 3.811 5.528 -11.141 1.00 0.00 H new ATOM 0 HH22 ARG A 56 4.555 4.018 -11.677 1.00 0.00 H new ATOM 882 N VAL A 57 3.683 3.581 -3.299 1.00 0.00 N ATOM 883 CA VAL A 57 4.542 3.799 -2.142 1.00 0.00 C ATOM 884 C VAL A 57 5.892 3.115 -2.323 1.00 0.00 C ATOM 885 O VAL A 57 5.977 2.028 -2.892 1.00 0.00 O ATOM 886 CB VAL A 57 3.885 3.280 -0.849 1.00 0.00 C ATOM 887 CG1 VAL A 57 4.845 3.401 0.324 1.00 0.00 C ATOM 888 CG2 VAL A 57 2.592 4.032 -0.570 1.00 0.00 C ATOM 0 H VAL A 57 3.786 2.664 -3.733 1.00 0.00 H new ATOM 0 HA VAL A 57 4.692 4.875 -2.058 1.00 0.00 H new ATOM 0 HB VAL A 57 3.644 2.225 -0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.363 3.030 1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.741 2.814 0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.120 4.447 0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.141 3.653 0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.806 5.095 -0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.901 3.888 -1.401 1.00 0.00 H new ATOM 898 N GLY A 58 6.947 3.760 -1.833 1.00 0.00 N ATOM 899 CA GLY A 58 8.280 3.198 -1.951 1.00 0.00 C ATOM 900 C GLY A 58 9.364 4.198 -1.602 1.00 0.00 C ATOM 901 O GLY A 58 9.136 5.125 -0.823 1.00 0.00 O ATOM 0 H GLY A 58 6.902 4.661 -1.357 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.365 2.331 -1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.432 2.843 -2.970 1.00 0.00 H new ATOM 905 N LEU A 59 10.547 4.011 -2.177 1.00 0.00 N ATOM 906 CA LEU A 59 11.671 4.905 -1.921 1.00 0.00 C ATOM 907 C LEU A 59 12.333 5.335 -3.226 1.00 0.00 C ATOM 908 O LEU A 59 12.513 4.528 -4.139 1.00 0.00 O ATOM 909 CB LEU A 59 12.697 4.218 -1.018 1.00 0.00 C ATOM 910 CG LEU A 59 12.140 3.528 0.228 1.00 0.00 C ATOM 911 CD1 LEU A 59 13.118 2.483 0.741 1.00 0.00 C ATOM 912 CD2 LEU A 59 11.831 4.550 1.311 1.00 0.00 C ATOM 0 H LEU A 59 10.753 3.249 -2.823 1.00 0.00 H new ATOM 0 HA LEU A 59 11.290 5.794 -1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 59 13.233 3.477 -1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 59 13.428 4.962 -0.701 1.00 0.00 H new ATOM 0 HG LEU A 59 11.212 3.025 -0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.705 2.002 1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.288 1.733 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 59 14.063 2.963 0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.436 4.041 2.190 1.00 0.00 H new ATOM 0 HD22 LEU A 59 12.743 5.082 1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.092 5.261 0.941 1.00 0.00 H new ATOM 924 N LYS A 60 12.695 6.610 -3.308 1.00 0.00 N ATOM 925 CA LYS A 60 13.341 7.149 -4.499 1.00 0.00 C ATOM 926 C LYS A 60 14.361 6.162 -5.058 1.00 0.00 C ATOM 927 O LYS A 60 15.244 5.694 -4.340 1.00 0.00 O ATOM 928 CB LYS A 60 14.025 8.479 -4.177 1.00 0.00 C ATOM 929 CG LYS A 60 14.037 9.455 -5.341 1.00 0.00 C ATOM 930 CD LYS A 60 15.026 9.030 -6.414 1.00 0.00 C ATOM 931 CE LYS A 60 14.702 9.672 -7.754 1.00 0.00 C ATOM 932 NZ LYS A 60 15.040 11.123 -7.771 1.00 0.00 N ATOM 0 H LYS A 60 12.552 7.291 -2.562 1.00 0.00 H new ATOM 0 HA LYS A 60 12.573 7.317 -5.254 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.519 8.943 -3.330 1.00 0.00 H new ATOM 0 HB3 LYS A 60 15.052 8.284 -3.867 1.00 0.00 H new ATOM 0 HG2 LYS A 60 13.038 9.522 -5.772 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.296 10.450 -4.980 1.00 0.00 H new ATOM 0 HD2 LYS A 60 16.036 9.307 -6.111 1.00 0.00 H new ATOM 0 HD3 LYS A 60 15.011 7.945 -6.516 1.00 0.00 H new ATOM 0 HE2 LYS A 60 15.253 9.162 -8.544 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.642 9.544 -7.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.804 11.523 -8.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 14.495 11.615 -7.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 16.057 11.245 -7.589 1.00 0.00 H new ATOM 946 N GLY A 61 14.235 5.851 -6.344 1.00 0.00 N ATOM 947 CA GLY A 61 15.154 4.924 -6.977 1.00 0.00 C ATOM 948 C GLY A 61 14.755 3.477 -6.765 1.00 0.00 C ATOM 949 O GLY A 61 14.615 2.718 -7.724 1.00 0.00 O ATOM 0 H GLY A 61 13.512 6.225 -6.959 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.197 5.133 -8.046 1.00 0.00 H new ATOM 0 HA3 GLY A 61 16.157 5.083 -6.580 1.00 0.00 H new ATOM 953 N GLN A 62 14.572 3.094 -5.505 1.00 0.00 N ATOM 954 CA GLN A 62 14.189 1.727 -5.171 1.00 0.00 C ATOM 955 C GLN A 62 12.829 1.382 -5.767 1.00 0.00 C ATOM 956 O GLN A 62 12.056 2.256 -6.160 1.00 0.00 O ATOM 957 CB GLN A 62 14.156 1.541 -3.653 1.00 0.00 C ATOM 958 CG GLN A 62 15.467 1.035 -3.073 1.00 0.00 C ATOM 959 CD GLN A 62 16.407 2.160 -2.687 1.00 0.00 C ATOM 960 OE1 GLN A 62 17.029 2.787 -3.546 1.00 0.00 O ATOM 961 NE2 GLN A 62 16.517 2.422 -1.390 1.00 0.00 N ATOM 0 H GLN A 62 14.683 3.710 -4.700 1.00 0.00 H new ATOM 0 HA GLN A 62 14.933 1.054 -5.596 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.904 2.492 -3.184 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.361 0.840 -3.398 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.259 0.423 -2.195 1.00 0.00 H new ATOM 0 HG3 GLN A 62 15.958 0.391 -3.802 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.983 1.878 -0.713 1.00 0.00 H new ATOM 0 HE22 GLN A 62 17.135 3.168 -1.071 1.00 0.00 H new ATOM 970 N PRO A 63 12.527 0.077 -5.837 1.00 0.00 N ATOM 971 CA PRO A 63 11.259 -0.414 -6.384 1.00 0.00 C ATOM 972 C PRO A 63 10.073 -0.089 -5.482 1.00 0.00 C ATOM 973 O PRO A 63 10.179 -0.085 -4.255 1.00 0.00 O ATOM 974 CB PRO A 63 11.469 -1.928 -6.465 1.00 0.00 C ATOM 975 CG PRO A 63 12.499 -2.223 -5.429 1.00 0.00 C ATOM 976 CD PRO A 63 13.401 -1.020 -5.388 1.00 0.00 C ATOM 0 HA PRO A 63 11.023 0.049 -7.342 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.543 -2.467 -6.267 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.807 -2.228 -7.457 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.037 -2.397 -4.457 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.060 -3.123 -5.681 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.787 -0.841 -4.384 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.263 -1.141 -6.044 1.00 0.00 H new ATOM 984 N PRO A 64 8.917 0.190 -6.101 1.00 0.00 N ATOM 985 CA PRO A 64 7.689 0.521 -5.372 1.00 0.00 C ATOM 986 C PRO A 64 7.114 -0.680 -4.629 1.00 0.00 C ATOM 987 O PRO A 64 6.649 -1.639 -5.244 1.00 0.00 O ATOM 988 CB PRO A 64 6.731 0.974 -6.477 1.00 0.00 C ATOM 989 CG PRO A 64 7.224 0.294 -7.708 1.00 0.00 C ATOM 990 CD PRO A 64 8.718 0.204 -7.560 1.00 0.00 C ATOM 0 HA PRO A 64 7.862 1.274 -4.604 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.703 0.689 -6.252 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.743 2.058 -6.592 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.781 -0.697 -7.811 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.953 0.858 -8.601 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.114 -0.697 -8.028 1.00 0.00 H new ATOM 0 HD3 PRO A 64 9.220 1.052 -8.026 1.00 0.00 H new ATOM 998 N VAL A 65 7.150 -0.621 -3.301 1.00 0.00 N ATOM 999 CA VAL A 65 6.631 -1.704 -2.473 1.00 0.00 C ATOM 1000 C VAL A 65 5.130 -1.877 -2.673 1.00 0.00 C ATOM 1001 O VAL A 65 4.601 -2.983 -2.557 1.00 0.00 O ATOM 1002 CB VAL A 65 6.913 -1.453 -0.980 1.00 0.00 C ATOM 1003 CG1 VAL A 65 6.116 -0.258 -0.479 1.00 0.00 C ATOM 1004 CG2 VAL A 65 6.596 -2.696 -0.163 1.00 0.00 C ATOM 0 H VAL A 65 7.533 0.165 -2.776 1.00 0.00 H new ATOM 0 HA VAL A 65 7.144 -2.614 -2.784 1.00 0.00 H new ATOM 0 HB VAL A 65 7.973 -1.228 -0.861 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.328 -0.096 0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.397 0.630 -1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.051 -0.450 -0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.801 -2.501 0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.544 -2.954 -0.286 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.215 -3.525 -0.506 1.00 0.00 H new ATOM 1014 N VAL A 66 4.447 -0.777 -2.976 1.00 0.00 N ATOM 1015 CA VAL A 66 3.006 -0.808 -3.194 1.00 0.00 C ATOM 1016 C VAL A 66 2.635 -0.133 -4.510 1.00 0.00 C ATOM 1017 O VAL A 66 2.786 1.079 -4.662 1.00 0.00 O ATOM 1018 CB VAL A 66 2.249 -0.116 -2.044 1.00 0.00 C ATOM 1019 CG1 VAL A 66 0.747 -0.219 -2.255 1.00 0.00 C ATOM 1020 CG2 VAL A 66 2.650 -0.718 -0.705 1.00 0.00 C ATOM 0 H VAL A 66 4.869 0.146 -3.076 1.00 0.00 H new ATOM 0 HA VAL A 66 2.714 -1.858 -3.232 1.00 0.00 H new ATOM 0 HB VAL A 66 2.519 0.940 -2.038 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.229 0.275 -1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.478 0.262 -3.195 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.455 -1.269 -2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.106 -0.218 0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.410 -1.781 -0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.721 -0.587 -0.553 1.00 0.00 H new ATOM 1030 N ASP A 67 2.149 -0.926 -5.458 1.00 0.00 N ATOM 1031 CA ASP A 67 1.754 -0.406 -6.762 1.00 0.00 C ATOM 1032 C ASP A 67 0.601 -1.217 -7.344 1.00 0.00 C ATOM 1033 O ASP A 67 0.791 -2.340 -7.809 1.00 0.00 O ATOM 1034 CB ASP A 67 2.943 -0.424 -7.723 1.00 0.00 C ATOM 1035 CG ASP A 67 2.658 0.323 -9.011 1.00 0.00 C ATOM 1036 OD1 ASP A 67 2.526 1.563 -8.960 1.00 0.00 O ATOM 1037 OD2 ASP A 67 2.567 -0.333 -10.070 1.00 0.00 O ATOM 0 H ASP A 67 2.019 -1.932 -5.348 1.00 0.00 H new ATOM 0 HA ASP A 67 1.420 0.623 -6.629 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.809 0.020 -7.233 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.203 -1.457 -7.955 1.00 0.00 H new ATOM 1042 N GLY A 68 -0.597 -0.639 -7.315 1.00 0.00 N ATOM 1043 CA GLY A 68 -1.763 -1.323 -7.841 1.00 0.00 C ATOM 1044 C GLY A 68 -3.001 -0.448 -7.835 1.00 0.00 C ATOM 1045 O GLY A 68 -3.054 0.557 -7.126 1.00 0.00 O ATOM 0 H GLY A 68 -0.780 0.290 -6.937 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.559 -1.651 -8.860 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.952 -2.219 -7.250 1.00 0.00 H new ATOM 1049 N GLU A 69 -3.997 -0.828 -8.628 1.00 0.00 N ATOM 1050 CA GLU A 69 -5.239 -0.068 -8.712 1.00 0.00 C ATOM 1051 C GLU A 69 -6.072 -0.245 -7.447 1.00 0.00 C ATOM 1052 O GLU A 69 -6.360 -1.368 -7.031 1.00 0.00 O ATOM 1053 CB GLU A 69 -6.048 -0.505 -9.935 1.00 0.00 C ATOM 1054 CG GLU A 69 -7.470 0.032 -9.947 1.00 0.00 C ATOM 1055 CD GLU A 69 -8.221 -0.334 -11.212 1.00 0.00 C ATOM 1056 OE1 GLU A 69 -8.709 -1.480 -11.302 1.00 0.00 O ATOM 1057 OE2 GLU A 69 -8.321 0.526 -12.112 1.00 0.00 O ATOM 0 H GLU A 69 -3.969 -1.657 -9.221 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.984 0.987 -8.812 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.535 -0.172 -10.837 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.079 -1.594 -9.969 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.009 -0.358 -9.083 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.446 1.117 -9.844 1.00 0.00 H new ATOM 1064 N LEU A 70 -6.456 0.871 -6.837 1.00 0.00 N ATOM 1065 CA LEU A 70 -7.257 0.840 -5.618 1.00 0.00 C ATOM 1066 C LEU A 70 -8.607 0.177 -5.869 1.00 0.00 C ATOM 1067 O LEU A 70 -9.304 0.508 -6.828 1.00 0.00 O ATOM 1068 CB LEU A 70 -7.464 2.259 -5.085 1.00 0.00 C ATOM 1069 CG LEU A 70 -6.279 2.878 -4.343 1.00 0.00 C ATOM 1070 CD1 LEU A 70 -6.495 4.370 -4.142 1.00 0.00 C ATOM 1071 CD2 LEU A 70 -6.064 2.183 -3.007 1.00 0.00 C ATOM 0 H LEU A 70 -6.226 1.808 -7.166 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.719 0.253 -4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.720 2.907 -5.924 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.323 2.252 -4.414 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.384 2.740 -4.949 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.641 4.793 -3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.598 4.857 -5.112 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.401 4.531 -3.558 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.217 2.637 -2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.959 2.288 -2.394 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.862 1.125 -3.175 1.00 0.00 H new ATOM 1083 N TYR A 71 -8.970 -0.760 -5.000 1.00 0.00 N ATOM 1084 CA TYR A 71 -10.237 -1.471 -5.128 1.00 0.00 C ATOM 1085 C TYR A 71 -11.378 -0.502 -5.421 1.00 0.00 C ATOM 1086 O TYR A 71 -12.298 -0.819 -6.173 1.00 0.00 O ATOM 1087 CB TYR A 71 -10.535 -2.258 -3.851 1.00 0.00 C ATOM 1088 CG TYR A 71 -11.957 -2.766 -3.771 1.00 0.00 C ATOM 1089 CD1 TYR A 71 -12.471 -3.609 -4.748 1.00 0.00 C ATOM 1090 CD2 TYR A 71 -12.787 -2.403 -2.716 1.00 0.00 C ATOM 1091 CE1 TYR A 71 -13.769 -4.074 -4.679 1.00 0.00 C ATOM 1092 CE2 TYR A 71 -14.086 -2.865 -2.639 1.00 0.00 C ATOM 1093 CZ TYR A 71 -14.573 -3.700 -3.623 1.00 0.00 C ATOM 1094 OH TYR A 71 -15.867 -4.163 -3.550 1.00 0.00 O ATOM 0 H TYR A 71 -8.405 -1.045 -4.200 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.152 -2.166 -5.963 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.851 -3.105 -3.788 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.336 -1.623 -2.988 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.844 -3.906 -5.576 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.409 -1.749 -1.944 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.153 -4.728 -5.448 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.717 -2.574 -1.813 1.00 0.00 H new ATOM 0 HH TYR A 71 -16.297 -3.807 -2.745 1.00 0.00 H new ATOM 1104 N ASN A 72 -11.309 0.681 -4.820 1.00 0.00 N ATOM 1105 CA ASN A 72 -12.336 1.698 -5.015 1.00 0.00 C ATOM 1106 C ASN A 72 -11.722 3.095 -5.034 1.00 0.00 C ATOM 1107 O ASN A 72 -10.508 3.251 -4.907 1.00 0.00 O ATOM 1108 CB ASN A 72 -13.390 1.608 -3.909 1.00 0.00 C ATOM 1109 CG ASN A 72 -14.722 2.198 -4.330 1.00 0.00 C ATOM 1110 OD1 ASN A 72 -15.197 3.169 -3.740 1.00 0.00 O ATOM 1111 ND2 ASN A 72 -15.331 1.613 -5.354 1.00 0.00 N ATOM 0 H ASN A 72 -10.553 0.959 -4.194 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.813 1.516 -5.978 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.530 0.564 -3.629 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.028 2.130 -3.023 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.230 1.966 -5.682 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.900 0.811 -5.813 1.00 0.00 H new ATOM 1118 N GLU A 73 -12.570 4.106 -5.194 1.00 0.00 N ATOM 1119 CA GLU A 73 -12.110 5.489 -5.230 1.00 0.00 C ATOM 1120 C GLU A 73 -11.825 6.005 -3.822 1.00 0.00 C ATOM 1121 O GLU A 73 -12.494 5.623 -2.862 1.00 0.00 O ATOM 1122 CB GLU A 73 -13.152 6.379 -5.910 1.00 0.00 C ATOM 1123 CG GLU A 73 -13.087 6.344 -7.427 1.00 0.00 C ATOM 1124 CD GLU A 73 -13.531 7.647 -8.061 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -14.246 8.420 -7.389 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -13.165 7.895 -9.229 1.00 0.00 O ATOM 0 H GLU A 73 -13.578 3.993 -5.301 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.184 5.522 -5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.147 6.068 -5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.015 7.406 -5.573 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.066 6.123 -7.738 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.715 5.533 -7.795 1.00 0.00 H new ATOM 1133 N VAL A 74 -10.827 6.875 -3.708 1.00 0.00 N ATOM 1134 CA VAL A 74 -10.452 7.445 -2.419 1.00 0.00 C ATOM 1135 C VAL A 74 -10.134 8.930 -2.545 1.00 0.00 C ATOM 1136 O VAL A 74 -9.261 9.326 -3.318 1.00 0.00 O ATOM 1137 CB VAL A 74 -9.234 6.719 -1.817 1.00 0.00 C ATOM 1138 CG1 VAL A 74 -9.509 5.229 -1.690 1.00 0.00 C ATOM 1139 CG2 VAL A 74 -7.994 6.971 -2.662 1.00 0.00 C ATOM 0 H VAL A 74 -10.263 7.201 -4.493 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.307 7.316 -1.756 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.053 7.116 -0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.637 4.733 -1.263 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.370 5.072 -1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.717 4.812 -2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.143 6.451 -2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.162 6.602 -3.674 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.788 8.041 -2.696 1.00 0.00 H new ATOM 1149 N LYS A 75 -10.848 9.750 -1.781 1.00 0.00 N ATOM 1150 CA LYS A 75 -10.642 11.193 -1.805 1.00 0.00 C ATOM 1151 C LYS A 75 -9.154 11.530 -1.819 1.00 0.00 C ATOM 1152 O LYS A 75 -8.510 11.584 -0.771 1.00 0.00 O ATOM 1153 CB LYS A 75 -11.312 11.845 -0.593 1.00 0.00 C ATOM 1154 CG LYS A 75 -11.801 13.258 -0.856 1.00 0.00 C ATOM 1155 CD LYS A 75 -12.941 13.636 0.075 1.00 0.00 C ATOM 1156 CE LYS A 75 -13.472 15.028 -0.229 1.00 0.00 C ATOM 1157 NZ LYS A 75 -14.108 15.653 0.963 1.00 0.00 N ATOM 0 H LYS A 75 -11.575 9.439 -1.137 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.094 11.584 -2.716 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.156 11.230 -0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.605 11.863 0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.977 13.959 -0.727 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.132 13.343 -1.891 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.747 12.909 -0.022 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.597 13.595 1.108 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.655 15.660 -0.578 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.199 14.970 -1.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.701 16.453 0.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.698 14.949 1.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.370 15.994 1.611 1.00 0.00 H new ATOM 1171 N VAL A 76 -8.614 11.756 -3.012 1.00 0.00 N ATOM 1172 CA VAL A 76 -7.203 12.091 -3.162 1.00 0.00 C ATOM 1173 C VAL A 76 -6.923 13.514 -2.694 1.00 0.00 C ATOM 1174 O VAL A 76 -5.911 13.777 -2.046 1.00 0.00 O ATOM 1175 CB VAL A 76 -6.744 11.943 -4.625 1.00 0.00 C ATOM 1176 CG1 VAL A 76 -7.639 12.753 -5.550 1.00 0.00 C ATOM 1177 CG2 VAL A 76 -5.290 12.366 -4.771 1.00 0.00 C ATOM 0 H VAL A 76 -9.133 11.713 -3.889 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.644 11.391 -2.541 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.824 10.894 -4.909 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.299 12.636 -6.579 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.666 12.399 -5.464 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.594 13.806 -5.270 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.982 12.255 -5.811 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.182 13.408 -4.469 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.663 11.738 -4.138 1.00 0.00 H new ATOM 1187 N GLU A 77 -7.828 14.430 -3.028 1.00 0.00 N ATOM 1188 CA GLU A 77 -7.677 15.828 -2.641 1.00 0.00 C ATOM 1189 C GLU A 77 -7.560 15.964 -1.126 1.00 0.00 C ATOM 1190 O GLU A 77 -7.046 16.961 -0.620 1.00 0.00 O ATOM 1191 CB GLU A 77 -8.863 16.651 -3.148 1.00 0.00 C ATOM 1192 CG GLU A 77 -9.150 16.458 -4.628 1.00 0.00 C ATOM 1193 CD GLU A 77 -9.894 17.631 -5.235 1.00 0.00 C ATOM 1194 OE1 GLU A 77 -9.327 18.743 -5.262 1.00 0.00 O ATOM 1195 OE2 GLU A 77 -11.044 17.437 -5.683 1.00 0.00 O ATOM 0 H GLU A 77 -8.672 14.229 -3.565 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.761 16.207 -3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.751 16.383 -2.576 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.669 17.707 -2.959 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.210 16.314 -5.161 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.737 15.550 -4.765 1.00 0.00 H new ATOM 1202 N GLU A 78 -8.040 14.954 -0.408 1.00 0.00 N ATOM 1203 CA GLU A 78 -7.991 14.961 1.049 1.00 0.00 C ATOM 1204 C GLU A 78 -6.925 13.998 1.563 1.00 0.00 C ATOM 1205 O GLU A 78 -6.217 14.294 2.525 1.00 0.00 O ATOM 1206 CB GLU A 78 -9.356 14.586 1.630 1.00 0.00 C ATOM 1207 CG GLU A 78 -10.291 15.770 1.802 1.00 0.00 C ATOM 1208 CD GLU A 78 -9.921 16.639 2.988 1.00 0.00 C ATOM 1209 OE1 GLU A 78 -10.017 16.150 4.134 1.00 0.00 O ATOM 1210 OE2 GLU A 78 -9.536 17.807 2.772 1.00 0.00 O ATOM 0 H GLU A 78 -8.467 14.120 -0.812 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.731 15.969 1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.829 13.852 0.978 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.210 14.106 2.598 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.276 16.374 0.895 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.311 15.407 1.927 1.00 0.00 H new ATOM 1217 N SER A 79 -6.817 12.843 0.913 1.00 0.00 N ATOM 1218 CA SER A 79 -5.841 11.833 1.306 1.00 0.00 C ATOM 1219 C SER A 79 -4.469 12.461 1.528 1.00 0.00 C ATOM 1220 O SER A 79 -4.143 13.491 0.938 1.00 0.00 O ATOM 1221 CB SER A 79 -5.748 10.741 0.238 1.00 0.00 C ATOM 1222 OG SER A 79 -6.789 9.791 0.388 1.00 0.00 O ATOM 0 H SER A 79 -7.393 12.584 0.112 1.00 0.00 H new ATOM 0 HA SER A 79 -6.173 11.387 2.244 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.803 11.192 -0.753 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.782 10.241 0.308 1.00 0.00 H new ATOM 0 HG SER A 79 -7.621 10.157 0.021 1.00 0.00 H new ATOM 1228 N SER A 80 -3.669 11.833 2.383 1.00 0.00 N ATOM 1229 CA SER A 80 -2.333 12.331 2.687 1.00 0.00 C ATOM 1230 C SER A 80 -1.545 11.311 3.504 1.00 0.00 C ATOM 1231 O SER A 80 -2.113 10.571 4.307 1.00 0.00 O ATOM 1232 CB SER A 80 -2.420 13.654 3.451 1.00 0.00 C ATOM 1233 OG SER A 80 -3.192 13.512 4.631 1.00 0.00 O ATOM 0 H SER A 80 -3.923 10.978 2.878 1.00 0.00 H new ATOM 0 HA SER A 80 -1.812 12.497 1.744 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.417 13.996 3.708 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.863 14.418 2.812 1.00 0.00 H new ATOM 0 HG SER A 80 -3.231 14.371 5.102 1.00 0.00 H new ATOM 1239 N TRP A 81 -0.234 11.279 3.292 1.00 0.00 N ATOM 1240 CA TRP A 81 0.633 10.349 4.008 1.00 0.00 C ATOM 1241 C TRP A 81 1.684 11.100 4.818 1.00 0.00 C ATOM 1242 O TRP A 81 1.919 12.289 4.599 1.00 0.00 O ATOM 1243 CB TRP A 81 1.314 9.396 3.025 1.00 0.00 C ATOM 1244 CG TRP A 81 2.197 10.094 2.035 1.00 0.00 C ATOM 1245 CD1 TRP A 81 1.823 10.620 0.832 1.00 0.00 C ATOM 1246 CD2 TRP A 81 3.601 10.340 2.164 1.00 0.00 C ATOM 1247 NE1 TRP A 81 2.911 11.177 0.204 1.00 0.00 N ATOM 1248 CE2 TRP A 81 4.013 11.020 1.001 1.00 0.00 C ATOM 1249 CE3 TRP A 81 4.551 10.053 3.149 1.00 0.00 C ATOM 1250 CZ2 TRP A 81 5.333 11.415 0.799 1.00 0.00 C ATOM 1251 CZ3 TRP A 81 5.860 10.446 2.946 1.00 0.00 C ATOM 1252 CH2 TRP A 81 6.241 11.122 1.779 1.00 0.00 C ATOM 0 H TRP A 81 0.252 11.885 2.631 1.00 0.00 H new ATOM 0 HA TRP A 81 0.016 9.771 4.696 1.00 0.00 H new ATOM 0 HB2 TRP A 81 1.908 8.673 3.584 1.00 0.00 H new ATOM 0 HB3 TRP A 81 0.551 8.834 2.487 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.820 10.601 0.433 1.00 0.00 H new ATOM 0 HE1 TRP A 81 2.899 11.633 -0.708 1.00 0.00 H new ATOM 0 HE3 TRP A 81 4.267 9.534 4.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.629 11.935 -0.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 6.602 10.228 3.700 1.00 0.00 H new ATOM 0 HH2 TRP A 81 7.272 11.417 1.651 1.00 0.00 H new ATOM 1263 N LEU A 82 2.313 10.399 5.755 1.00 0.00 N ATOM 1264 CA LEU A 82 3.340 11.000 6.599 1.00 0.00 C ATOM 1265 C LEU A 82 4.442 9.994 6.916 1.00 0.00 C ATOM 1266 O LEU A 82 4.298 8.799 6.656 1.00 0.00 O ATOM 1267 CB LEU A 82 2.721 11.522 7.897 1.00 0.00 C ATOM 1268 CG LEU A 82 2.541 10.494 9.015 1.00 0.00 C ATOM 1269 CD1 LEU A 82 3.801 10.398 9.860 1.00 0.00 C ATOM 1270 CD2 LEU A 82 1.342 10.853 9.881 1.00 0.00 C ATOM 0 H LEU A 82 2.130 9.415 5.949 1.00 0.00 H new ATOM 0 HA LEU A 82 3.781 11.834 6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.345 12.333 8.273 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.746 11.951 7.665 1.00 0.00 H new ATOM 0 HG LEU A 82 2.358 9.520 8.561 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.654 9.662 10.650 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.638 10.094 9.232 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.016 11.370 10.305 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.229 10.111 10.671 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.496 11.836 10.326 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.442 10.869 9.267 1.00 0.00 H new ATOM 1282 N ILE A 83 5.540 10.485 7.481 1.00 0.00 N ATOM 1283 CA ILE A 83 6.664 9.628 7.836 1.00 0.00 C ATOM 1284 C ILE A 83 6.682 9.338 9.333 1.00 0.00 C ATOM 1285 O ILE A 83 6.816 10.249 10.150 1.00 0.00 O ATOM 1286 CB ILE A 83 8.007 10.263 7.431 1.00 0.00 C ATOM 1287 CG1 ILE A 83 8.029 10.547 5.928 1.00 0.00 C ATOM 1288 CG2 ILE A 83 9.162 9.354 7.821 1.00 0.00 C ATOM 1289 CD1 ILE A 83 9.135 11.489 5.507 1.00 0.00 C ATOM 0 H ILE A 83 5.675 11.471 7.703 1.00 0.00 H new ATOM 0 HA ILE A 83 6.534 8.694 7.289 1.00 0.00 H new ATOM 0 HB ILE A 83 8.120 11.208 7.962 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.140 9.605 5.390 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.069 10.971 5.633 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.104 9.817 7.528 1.00 0.00 H new ATOM 0 HG22 ILE A 83 9.154 9.198 8.900 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.057 8.394 7.315 1.00 0.00 H new ATOM 0 HD11 ILE A 83 9.090 11.645 4.429 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.013 12.444 6.017 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.101 11.058 5.771 1.00 0.00 H new ATOM 1301 N GLU A 84 6.548 8.063 9.686 1.00 0.00 N ATOM 1302 CA GLU A 84 6.551 7.654 11.085 1.00 0.00 C ATOM 1303 C GLU A 84 7.934 7.169 11.508 1.00 0.00 C ATOM 1304 O GLU A 84 8.536 6.324 10.846 1.00 0.00 O ATOM 1305 CB GLU A 84 5.517 6.550 11.319 1.00 0.00 C ATOM 1306 CG GLU A 84 4.149 7.072 11.722 1.00 0.00 C ATOM 1307 CD GLU A 84 4.211 8.020 12.904 1.00 0.00 C ATOM 1308 OE1 GLU A 84 4.942 7.718 13.870 1.00 0.00 O ATOM 1309 OE2 GLU A 84 3.529 9.065 12.862 1.00 0.00 O ATOM 0 H GLU A 84 6.436 7.296 9.022 1.00 0.00 H new ATOM 0 HA GLU A 84 6.289 8.522 11.691 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.417 5.959 10.409 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.884 5.879 12.096 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.695 7.584 10.874 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.502 6.231 11.969 1.00 0.00 H new ATOM 1316 N ASP A 85 8.432 7.710 12.614 1.00 0.00 N ATOM 1317 CA ASP A 85 9.744 7.332 13.127 1.00 0.00 C ATOM 1318 C ASP A 85 10.744 7.161 11.987 1.00 0.00 C ATOM 1319 O ASP A 85 11.629 6.309 12.047 1.00 0.00 O ATOM 1320 CB ASP A 85 9.647 6.037 13.935 1.00 0.00 C ATOM 1321 CG ASP A 85 9.031 6.254 15.303 1.00 0.00 C ATOM 1322 OD1 ASP A 85 9.420 7.227 15.982 1.00 0.00 O ATOM 1323 OD2 ASP A 85 8.159 5.450 15.695 1.00 0.00 O ATOM 0 H ASP A 85 7.947 8.412 13.173 1.00 0.00 H new ATOM 0 HA ASP A 85 10.096 8.132 13.779 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.051 5.311 13.382 1.00 0.00 H new ATOM 0 HB3 ASP A 85 10.643 5.609 14.052 1.00 0.00 H new ATOM 1328 N GLY A 86 10.595 7.978 10.949 1.00 0.00 N ATOM 1329 CA GLY A 86 11.491 7.900 9.810 1.00 0.00 C ATOM 1330 C GLY A 86 11.847 6.472 9.449 1.00 0.00 C ATOM 1331 O GLY A 86 12.888 6.217 8.842 1.00 0.00 O ATOM 0 H GLY A 86 9.870 8.692 10.876 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.025 8.383 8.951 1.00 0.00 H new ATOM 0 HA3 GLY A 86 12.403 8.454 10.031 1.00 0.00 H new ATOM 1335 N LYS A 87 10.981 5.535 9.823 1.00 0.00 N ATOM 1336 CA LYS A 87 11.209 4.124 9.536 1.00 0.00 C ATOM 1337 C LYS A 87 10.004 3.512 8.828 1.00 0.00 C ATOM 1338 O LYS A 87 10.109 2.457 8.202 1.00 0.00 O ATOM 1339 CB LYS A 87 11.497 3.359 10.829 1.00 0.00 C ATOM 1340 CG LYS A 87 10.416 3.520 11.885 1.00 0.00 C ATOM 1341 CD LYS A 87 10.268 2.264 12.727 1.00 0.00 C ATOM 1342 CE LYS A 87 11.163 2.309 13.956 1.00 0.00 C ATOM 1343 NZ LYS A 87 10.465 2.903 15.129 1.00 0.00 N ATOM 0 H LYS A 87 10.115 5.728 10.326 1.00 0.00 H new ATOM 0 HA LYS A 87 12.074 4.048 8.877 1.00 0.00 H new ATOM 0 HB2 LYS A 87 11.612 2.300 10.597 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.448 3.700 11.239 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.659 4.365 12.530 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.466 3.750 11.402 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.229 2.152 13.036 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.517 1.390 12.126 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.492 1.300 14.202 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.057 2.891 13.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.128 3.504 15.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.663 3.478 14.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.116 2.143 15.747 1.00 0.00 H new ATOM 1357 N VAL A 88 8.860 4.181 8.931 1.00 0.00 N ATOM 1358 CA VAL A 88 7.636 3.703 8.299 1.00 0.00 C ATOM 1359 C VAL A 88 6.904 4.839 7.592 1.00 0.00 C ATOM 1360 O VAL A 88 6.932 5.985 8.041 1.00 0.00 O ATOM 1361 CB VAL A 88 6.688 3.058 9.328 1.00 0.00 C ATOM 1362 CG1 VAL A 88 5.584 2.283 8.624 1.00 0.00 C ATOM 1363 CG2 VAL A 88 7.465 2.154 10.273 1.00 0.00 C ATOM 0 H VAL A 88 8.755 5.055 9.446 1.00 0.00 H new ATOM 0 HA VAL A 88 7.930 2.952 7.566 1.00 0.00 H new ATOM 0 HB VAL A 88 6.225 3.850 9.917 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.924 1.834 9.366 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.011 2.960 7.991 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.025 1.498 8.009 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.780 1.706 10.993 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.956 1.366 9.701 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.216 2.740 10.802 1.00 0.00 H new ATOM 1373 N VAL A 89 6.247 4.512 6.484 1.00 0.00 N ATOM 1374 CA VAL A 89 5.506 5.504 5.714 1.00 0.00 C ATOM 1375 C VAL A 89 4.010 5.210 5.735 1.00 0.00 C ATOM 1376 O VAL A 89 3.520 4.370 4.979 1.00 0.00 O ATOM 1377 CB VAL A 89 5.987 5.556 4.252 1.00 0.00 C ATOM 1378 CG1 VAL A 89 5.046 6.402 3.409 1.00 0.00 C ATOM 1379 CG2 VAL A 89 7.409 6.091 4.178 1.00 0.00 C ATOM 0 H VAL A 89 6.213 3.568 6.099 1.00 0.00 H new ATOM 0 HA VAL A 89 5.691 6.470 6.183 1.00 0.00 H new ATOM 0 HB VAL A 89 5.983 4.543 3.851 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.403 6.427 2.379 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.046 5.970 3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.014 7.417 3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.733 6.121 3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.442 7.097 4.597 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.073 5.439 4.746 1.00 0.00 H new ATOM 1389 N THR A 90 3.287 5.907 6.607 1.00 0.00 N ATOM 1390 CA THR A 90 1.847 5.721 6.727 1.00 0.00 C ATOM 1391 C THR A 90 1.093 6.601 5.737 1.00 0.00 C ATOM 1392 O THR A 90 1.441 7.765 5.536 1.00 0.00 O ATOM 1393 CB THR A 90 1.357 6.036 8.153 1.00 0.00 C ATOM 1394 OG1 THR A 90 1.753 7.361 8.525 1.00 0.00 O ATOM 1395 CG2 THR A 90 1.917 5.034 9.152 1.00 0.00 C ATOM 0 H THR A 90 3.676 6.605 7.240 1.00 0.00 H new ATOM 0 HA THR A 90 1.645 4.673 6.504 1.00 0.00 H new ATOM 0 HB THR A 90 0.269 5.966 8.164 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.436 7.555 9.432 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.557 5.277 10.152 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.590 4.030 8.883 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.006 5.076 9.138 1.00 0.00 H new ATOM 1403 N VAL A 91 0.059 6.039 5.121 1.00 0.00 N ATOM 1404 CA VAL A 91 -0.746 6.775 4.152 1.00 0.00 C ATOM 1405 C VAL A 91 -2.228 6.707 4.504 1.00 0.00 C ATOM 1406 O VAL A 91 -2.811 5.625 4.576 1.00 0.00 O ATOM 1407 CB VAL A 91 -0.543 6.230 2.725 1.00 0.00 C ATOM 1408 CG1 VAL A 91 -1.376 7.021 1.728 1.00 0.00 C ATOM 1409 CG2 VAL A 91 0.930 6.264 2.347 1.00 0.00 C ATOM 0 H VAL A 91 -0.242 5.077 5.275 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.414 7.813 4.188 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.877 5.193 2.699 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.220 6.622 0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.431 6.940 1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.075 8.068 1.752 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.055 5.876 1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.293 7.291 2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.499 5.650 3.045 1.00 0.00 H new ATOM 1419 N HIS A 92 -2.832 7.871 4.722 1.00 0.00 N ATOM 1420 CA HIS A 92 -4.248 7.944 5.065 1.00 0.00 C ATOM 1421 C HIS A 92 -5.106 8.061 3.809 1.00 0.00 C ATOM 1422 O HIS A 92 -4.987 9.023 3.050 1.00 0.00 O ATOM 1423 CB HIS A 92 -4.509 9.135 5.988 1.00 0.00 C ATOM 1424 CG HIS A 92 -5.963 9.447 6.167 1.00 0.00 C ATOM 1425 ND1 HIS A 92 -6.679 9.082 7.287 1.00 0.00 N ATOM 1426 CD2 HIS A 92 -6.835 10.094 5.359 1.00 0.00 C ATOM 1427 CE1 HIS A 92 -7.929 9.491 7.161 1.00 0.00 C ATOM 1428 NE2 HIS A 92 -8.050 10.108 6.000 1.00 0.00 N ATOM 0 H HIS A 92 -2.364 8.775 4.667 1.00 0.00 H new ATOM 0 HA HIS A 92 -4.519 7.025 5.584 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.067 8.932 6.963 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -4.004 10.013 5.586 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -6.616 10.520 4.391 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -8.718 9.345 7.884 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -8.907 10.527 5.638 1.00 0.00 H new ATOM 1437 N LEU A 93 -5.971 7.075 3.597 1.00 0.00 N ATOM 1438 CA LEU A 93 -6.850 7.066 2.432 1.00 0.00 C ATOM 1439 C LEU A 93 -8.304 7.268 2.846 1.00 0.00 C ATOM 1440 O LEU A 93 -8.881 6.436 3.545 1.00 0.00 O ATOM 1441 CB LEU A 93 -6.703 5.749 1.668 1.00 0.00 C ATOM 1442 CG LEU A 93 -5.358 5.520 0.979 1.00 0.00 C ATOM 1443 CD1 LEU A 93 -5.131 4.037 0.731 1.00 0.00 C ATOM 1444 CD2 LEU A 93 -5.288 6.297 -0.328 1.00 0.00 C ATOM 0 H LEU A 93 -6.083 6.272 4.216 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.559 7.891 1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.877 4.928 2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.488 5.700 0.914 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.569 5.883 1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.169 3.893 0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.136 3.504 1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.925 3.649 0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.323 6.122 -0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.086 5.965 -0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.404 7.362 -0.125 1.00 0.00 H new ATOM 1456 N GLU A 94 -8.891 8.377 2.407 1.00 0.00 N ATOM 1457 CA GLU A 94 -10.278 8.686 2.731 1.00 0.00 C ATOM 1458 C GLU A 94 -11.231 7.999 1.757 1.00 0.00 C ATOM 1459 O GLU A 94 -11.235 8.293 0.561 1.00 0.00 O ATOM 1460 CB GLU A 94 -10.507 10.199 2.702 1.00 0.00 C ATOM 1461 CG GLU A 94 -11.721 10.646 3.499 1.00 0.00 C ATOM 1462 CD GLU A 94 -13.025 10.154 2.900 1.00 0.00 C ATOM 1463 OE1 GLU A 94 -13.522 10.797 1.952 1.00 0.00 O ATOM 1464 OE2 GLU A 94 -13.548 9.126 3.380 1.00 0.00 O ATOM 0 H GLU A 94 -8.427 9.076 1.826 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.481 8.313 3.735 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.621 10.700 3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.624 10.521 1.667 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.634 10.280 4.522 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -11.737 11.735 3.550 1.00 0.00 H new ATOM 1471 N LYS A 95 -12.037 7.080 2.277 1.00 0.00 N ATOM 1472 CA LYS A 95 -12.995 6.349 1.456 1.00 0.00 C ATOM 1473 C LYS A 95 -14.121 7.266 0.987 1.00 0.00 C ATOM 1474 O LYS A 95 -14.910 7.757 1.795 1.00 0.00 O ATOM 1475 CB LYS A 95 -13.576 5.171 2.240 1.00 0.00 C ATOM 1476 CG LYS A 95 -12.670 3.952 2.267 1.00 0.00 C ATOM 1477 CD LYS A 95 -13.357 2.760 2.913 1.00 0.00 C ATOM 1478 CE LYS A 95 -12.346 1.761 3.455 1.00 0.00 C ATOM 1479 NZ LYS A 95 -13.010 0.561 4.035 1.00 0.00 N ATOM 0 H LYS A 95 -12.046 6.823 3.264 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.469 5.970 0.580 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -13.774 5.489 3.264 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.534 4.891 1.802 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.374 3.695 1.250 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.758 4.188 2.815 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -14.000 3.104 3.723 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -14.000 2.269 2.182 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.674 1.453 2.654 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.733 2.242 4.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.955 0.601 5.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.008 0.540 3.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.532 -0.298 3.696 1.00 0.00 H new ATOM 1493 N ILE A 96 -14.190 7.490 -0.320 1.00 0.00 N ATOM 1494 CA ILE A 96 -15.221 8.345 -0.895 1.00 0.00 C ATOM 1495 C ILE A 96 -16.566 8.117 -0.216 1.00 0.00 C ATOM 1496 O ILE A 96 -17.357 9.045 -0.054 1.00 0.00 O ATOM 1497 CB ILE A 96 -15.374 8.103 -2.408 1.00 0.00 C ATOM 1498 CG1 ILE A 96 -14.093 8.501 -3.143 1.00 0.00 C ATOM 1499 CG2 ILE A 96 -16.565 8.879 -2.951 1.00 0.00 C ATOM 1500 CD1 ILE A 96 -13.814 9.987 -3.112 1.00 0.00 C ATOM 0 H ILE A 96 -13.544 7.091 -1.001 1.00 0.00 H new ATOM 0 HA ILE A 96 -14.904 9.375 -0.731 1.00 0.00 H new ATOM 0 HB ILE A 96 -15.551 7.040 -2.574 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -13.250 7.972 -2.699 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -14.163 8.174 -4.181 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -16.660 8.698 -4.022 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -17.474 8.552 -2.446 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -16.416 9.944 -2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -12.891 10.195 -3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -14.639 10.522 -3.583 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -13.711 10.316 -2.078 1.00 0.00 H new ATOM 1512 N ASN A 97 -16.819 6.874 0.182 1.00 0.00 N ATOM 1513 CA ASN A 97 -18.069 6.523 0.845 1.00 0.00 C ATOM 1514 C ASN A 97 -17.802 5.853 2.190 1.00 0.00 C ATOM 1515 O ASN A 97 -17.297 4.732 2.248 1.00 0.00 O ATOM 1516 CB ASN A 97 -18.899 5.594 -0.043 1.00 0.00 C ATOM 1517 CG ASN A 97 -19.825 6.357 -0.971 1.00 0.00 C ATOM 1518 OD1 ASN A 97 -21.020 6.487 -0.704 1.00 0.00 O ATOM 1519 ND2 ASN A 97 -19.276 6.865 -2.068 1.00 0.00 N ATOM 0 H ASN A 97 -16.175 6.093 0.057 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.628 7.442 1.021 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -18.231 4.968 -0.635 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -19.488 4.926 0.585 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -19.849 7.388 -2.730 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -18.281 6.732 -2.249 1.00 0.00 H new ATOM 1526 N LYS A 98 -18.144 6.548 3.269 1.00 0.00 N ATOM 1527 CA LYS A 98 -17.944 6.022 4.614 1.00 0.00 C ATOM 1528 C LYS A 98 -18.771 4.760 4.833 1.00 0.00 C ATOM 1529 O LYS A 98 -18.368 3.863 5.574 1.00 0.00 O ATOM 1530 CB LYS A 98 -18.318 7.077 5.658 1.00 0.00 C ATOM 1531 CG LYS A 98 -17.645 8.420 5.433 1.00 0.00 C ATOM 1532 CD LYS A 98 -16.163 8.364 5.766 1.00 0.00 C ATOM 1533 CE LYS A 98 -15.450 9.643 5.353 1.00 0.00 C ATOM 1534 NZ LYS A 98 -15.788 10.780 6.253 1.00 0.00 N ATOM 0 H LYS A 98 -18.562 7.478 3.238 1.00 0.00 H new ATOM 0 HA LYS A 98 -16.890 5.768 4.724 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -19.399 7.216 5.651 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -18.051 6.707 6.648 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.774 8.723 4.394 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -18.129 9.178 6.049 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.035 8.205 6.837 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.707 7.513 5.260 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -14.373 9.478 5.364 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -15.723 9.897 4.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -15.283 11.633 5.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -16.813 10.954 6.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -15.505 10.548 7.226 1.00 0.00 H new ATOM 1548 N MET A 99 -19.929 4.696 4.184 1.00 0.00 N ATOM 1549 CA MET A 99 -20.811 3.541 4.306 1.00 0.00 C ATOM 1550 C MET A 99 -20.429 2.457 3.304 1.00 0.00 C ATOM 1551 O MET A 99 -21.276 1.678 2.866 1.00 0.00 O ATOM 1552 CB MET A 99 -22.267 3.960 4.093 1.00 0.00 C ATOM 1553 CG MET A 99 -22.782 4.927 5.146 1.00 0.00 C ATOM 1554 SD MET A 99 -22.791 4.211 6.801 1.00 0.00 S ATOM 1555 CE MET A 99 -21.700 5.339 7.664 1.00 0.00 C ATOM 0 H MET A 99 -20.278 5.430 3.568 1.00 0.00 H new ATOM 0 HA MET A 99 -20.701 3.135 5.312 1.00 0.00 H new ATOM 0 HB2 MET A 99 -22.364 4.421 3.110 1.00 0.00 H new ATOM 0 HB3 MET A 99 -22.896 3.070 4.091 1.00 0.00 H new ATOM 0 HG2 MET A 99 -22.161 5.823 5.145 1.00 0.00 H new ATOM 0 HG3 MET A 99 -23.793 5.239 4.884 1.00 0.00 H new ATOM 0 HE1 MET A 99 -21.604 5.028 8.704 1.00 0.00 H new ATOM 0 HE2 MET A 99 -20.718 5.329 7.190 1.00 0.00 H new ATOM 0 HE3 MET A 99 -22.113 6.347 7.623 1.00 0.00 H new ATOM 1565 N GLU A 100 -19.150 2.412 2.946 1.00 0.00 N ATOM 1566 CA GLU A 100 -18.658 1.423 1.994 1.00 0.00 C ATOM 1567 C GLU A 100 -17.513 0.613 2.594 1.00 0.00 C ATOM 1568 O GLU A 100 -16.667 1.150 3.309 1.00 0.00 O ATOM 1569 CB GLU A 100 -18.193 2.108 0.707 1.00 0.00 C ATOM 1570 CG GLU A 100 -17.772 1.136 -0.382 1.00 0.00 C ATOM 1571 CD GLU A 100 -18.935 0.683 -1.243 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -19.977 0.294 -0.674 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -18.804 0.718 -2.484 1.00 0.00 O ATOM 0 H GLU A 100 -18.436 3.048 3.300 1.00 0.00 H new ATOM 0 HA GLU A 100 -19.477 0.743 1.760 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -18.999 2.737 0.329 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -17.356 2.767 0.938 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -17.020 1.608 -1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -17.303 0.265 0.076 1.00 0.00 H new ATOM 1580 N TRP A 101 -17.493 -0.681 2.298 1.00 0.00 N ATOM 1581 CA TRP A 101 -16.452 -1.566 2.809 1.00 0.00 C ATOM 1582 C TRP A 101 -15.476 -1.953 1.703 1.00 0.00 C ATOM 1583 O TRP A 101 -15.825 -1.942 0.523 1.00 0.00 O ATOM 1584 CB TRP A 101 -17.076 -2.823 3.418 1.00 0.00 C ATOM 1585 CG TRP A 101 -17.456 -2.659 4.858 1.00 0.00 C ATOM 1586 CD1 TRP A 101 -18.720 -2.561 5.367 1.00 0.00 C ATOM 1587 CD2 TRP A 101 -16.565 -2.572 5.975 1.00 0.00 C ATOM 1588 NE1 TRP A 101 -18.668 -2.418 6.732 1.00 0.00 N ATOM 1589 CE2 TRP A 101 -17.357 -2.423 7.130 1.00 0.00 C ATOM 1590 CE3 TRP A 101 -15.174 -2.608 6.113 1.00 0.00 C ATOM 1591 CZ2 TRP A 101 -16.804 -2.309 8.403 1.00 0.00 C ATOM 1592 CZ3 TRP A 101 -14.627 -2.494 7.376 1.00 0.00 C ATOM 1593 CH2 TRP A 101 -15.440 -2.347 8.508 1.00 0.00 C ATOM 0 H TRP A 101 -18.185 -1.141 1.707 1.00 0.00 H new ATOM 0 HA TRP A 101 -15.902 -1.031 3.583 1.00 0.00 H new ATOM 0 HB2 TRP A 101 -17.962 -3.095 2.844 1.00 0.00 H new ATOM 0 HB3 TRP A 101 -16.372 -3.650 3.327 1.00 0.00 H new ATOM 0 HD1 TRP A 101 -19.627 -2.592 4.782 1.00 0.00 H new ATOM 0 HE1 TRP A 101 -19.475 -2.323 7.349 1.00 0.00 H new ATOM 0 HE3 TRP A 101 -14.539 -2.723 5.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 -17.429 -2.195 9.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 -13.554 -2.519 7.493 1.00 0.00 H new ATOM 0 HH2 TRP A 101 -14.981 -2.262 9.482 1.00 0.00 H new ATOM 1604 N TRP A 102 -14.253 -2.295 2.093 1.00 0.00 N ATOM 1605 CA TRP A 102 -13.227 -2.686 1.134 1.00 0.00 C ATOM 1606 C TRP A 102 -12.877 -4.163 1.281 1.00 0.00 C ATOM 1607 O TRP A 102 -12.946 -4.719 2.376 1.00 0.00 O ATOM 1608 CB TRP A 102 -11.972 -1.831 1.321 1.00 0.00 C ATOM 1609 CG TRP A 102 -12.067 -0.486 0.667 1.00 0.00 C ATOM 1610 CD1 TRP A 102 -13.155 0.339 0.643 1.00 0.00 C ATOM 1611 CD2 TRP A 102 -11.034 0.189 -0.058 1.00 0.00 C ATOM 1612 NE1 TRP A 102 -12.861 1.486 -0.054 1.00 0.00 N ATOM 1613 CE2 TRP A 102 -11.565 1.419 -0.494 1.00 0.00 C ATOM 1614 CE3 TRP A 102 -9.711 -0.125 -0.381 1.00 0.00 C ATOM 1615 CZ2 TRP A 102 -10.819 2.331 -1.235 1.00 0.00 C ATOM 1616 CZ3 TRP A 102 -8.972 0.782 -1.117 1.00 0.00 C ATOM 1617 CH2 TRP A 102 -9.527 1.998 -1.536 1.00 0.00 C ATOM 0 H TRP A 102 -13.948 -2.309 3.066 1.00 0.00 H new ATOM 0 HA TRP A 102 -13.623 -2.524 0.131 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -11.788 -1.697 2.387 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -11.113 -2.365 0.914 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -14.107 0.122 1.104 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -13.503 2.261 -0.217 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.274 -1.059 -0.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -11.245 3.268 -1.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -7.949 0.549 -1.373 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -8.923 2.686 -2.108 1.00 0.00 H new ATOM 1628 N ASN A 103 -12.502 -4.792 0.172 1.00 0.00 N ATOM 1629 CA ASN A 103 -12.142 -6.205 0.179 1.00 0.00 C ATOM 1630 C ASN A 103 -10.627 -6.380 0.161 1.00 0.00 C ATOM 1631 O ASN A 103 -10.113 -7.459 0.457 1.00 0.00 O ATOM 1632 CB ASN A 103 -12.764 -6.917 -1.024 1.00 0.00 C ATOM 1633 CG ASN A 103 -12.412 -6.246 -2.338 1.00 0.00 C ATOM 1634 OD1 ASN A 103 -11.765 -5.199 -2.359 1.00 0.00 O ATOM 1635 ND2 ASN A 103 -12.839 -6.847 -3.442 1.00 0.00 N ATOM 0 H ASN A 103 -12.440 -4.345 -0.743 1.00 0.00 H new ATOM 0 HA ASN A 103 -12.530 -6.649 1.096 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -12.424 -7.953 -1.045 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -13.848 -6.939 -0.909 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -12.634 -6.442 -4.355 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -13.372 -7.714 -3.377 1.00 0.00 H new ATOM 1642 N ARG A 104 -9.917 -5.312 -0.187 1.00 0.00 N ATOM 1643 CA ARG A 104 -8.461 -5.348 -0.244 1.00 0.00 C ATOM 1644 C ARG A 104 -7.894 -3.962 -0.542 1.00 0.00 C ATOM 1645 O ARG A 104 -8.610 -3.073 -1.004 1.00 0.00 O ATOM 1646 CB ARG A 104 -7.995 -6.341 -1.310 1.00 0.00 C ATOM 1647 CG ARG A 104 -8.665 -6.144 -2.660 1.00 0.00 C ATOM 1648 CD ARG A 104 -7.787 -6.643 -3.797 1.00 0.00 C ATOM 1649 NE ARG A 104 -8.563 -6.948 -4.995 1.00 0.00 N ATOM 1650 CZ ARG A 104 -9.161 -6.023 -5.738 1.00 0.00 C ATOM 1651 NH1 ARG A 104 -9.072 -4.742 -5.407 1.00 0.00 N ATOM 1652 NH2 ARG A 104 -9.850 -6.379 -6.815 1.00 0.00 N ATOM 0 H ARG A 104 -10.327 -4.411 -0.434 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.092 -5.671 0.730 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.916 -6.250 -1.433 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.191 -7.355 -0.961 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.617 -6.674 -2.675 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -8.886 -5.087 -2.807 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -7.037 -5.888 -4.034 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -7.251 -7.536 -3.476 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.651 -7.924 -5.277 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.543 -4.464 -4.580 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -9.532 -4.034 -5.979 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -9.921 -7.363 -7.073 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -10.309 -5.668 -7.385 1.00 0.00 H new ATOM 1666 N LEU A 105 -6.605 -3.786 -0.273 1.00 0.00 N ATOM 1667 CA LEU A 105 -5.942 -2.509 -0.512 1.00 0.00 C ATOM 1668 C LEU A 105 -5.836 -2.221 -2.006 1.00 0.00 C ATOM 1669 O LEU A 105 -6.320 -1.197 -2.488 1.00 0.00 O ATOM 1670 CB LEU A 105 -4.548 -2.510 0.119 1.00 0.00 C ATOM 1671 CG LEU A 105 -3.672 -1.295 -0.187 1.00 0.00 C ATOM 1672 CD1 LEU A 105 -4.331 -0.021 0.318 1.00 0.00 C ATOM 1673 CD2 LEU A 105 -2.291 -1.464 0.430 1.00 0.00 C ATOM 0 H LEU A 105 -5.999 -4.511 0.110 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.542 -1.724 -0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.661 -2.589 1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.022 -3.405 -0.213 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.558 -1.217 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.693 0.833 0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.297 0.108 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.476 -0.089 1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.681 -0.590 0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.386 -1.568 1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.816 -2.355 0.020 1.00 0.00 H new ATOM 1685 N VAL A 106 -5.201 -3.133 -2.736 1.00 0.00 N ATOM 1686 CA VAL A 106 -5.034 -2.979 -4.176 1.00 0.00 C ATOM 1687 C VAL A 106 -5.167 -4.319 -4.891 1.00 0.00 C ATOM 1688 O VAL A 106 -4.784 -5.361 -4.358 1.00 0.00 O ATOM 1689 CB VAL A 106 -3.666 -2.360 -4.520 1.00 0.00 C ATOM 1690 CG1 VAL A 106 -3.657 -0.874 -4.197 1.00 0.00 C ATOM 1691 CG2 VAL A 106 -2.553 -3.082 -3.776 1.00 0.00 C ATOM 0 H VAL A 106 -4.794 -3.986 -2.353 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.823 -2.309 -4.516 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.492 -2.476 -5.590 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.683 -0.453 -4.446 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.429 -0.371 -4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -3.852 -0.731 -3.134 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.594 -2.632 -4.031 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -2.719 -2.998 -2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.547 -4.134 -4.061 1.00 0.00 H new ATOM 1701 N THR A 107 -5.712 -4.286 -6.103 1.00 0.00 N ATOM 1702 CA THR A 107 -5.896 -5.497 -6.892 1.00 0.00 C ATOM 1703 C THR A 107 -4.703 -6.434 -6.747 1.00 0.00 C ATOM 1704 O THR A 107 -4.866 -7.649 -6.627 1.00 0.00 O ATOM 1705 CB THR A 107 -6.101 -5.171 -8.383 1.00 0.00 C ATOM 1706 OG1 THR A 107 -4.922 -4.559 -8.917 1.00 0.00 O ATOM 1707 CG2 THR A 107 -7.292 -4.244 -8.576 1.00 0.00 C ATOM 0 H THR A 107 -6.034 -3.433 -6.560 1.00 0.00 H new ATOM 0 HA THR A 107 -6.790 -5.990 -6.510 1.00 0.00 H new ATOM 0 HB THR A 107 -6.297 -6.103 -8.912 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.060 -4.356 -9.866 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.417 -4.028 -9.637 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.193 -4.725 -8.195 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.121 -3.314 -8.034 1.00 0.00 H new ATOM 1715 N SER A 108 -3.503 -5.863 -6.760 1.00 0.00 N ATOM 1716 CA SER A 108 -2.281 -6.649 -6.634 1.00 0.00 C ATOM 1717 C SER A 108 -2.313 -7.503 -5.371 1.00 0.00 C ATOM 1718 O SER A 108 -2.007 -8.695 -5.407 1.00 0.00 O ATOM 1719 CB SER A 108 -1.058 -5.729 -6.610 1.00 0.00 C ATOM 1720 OG SER A 108 -0.949 -5.057 -5.367 1.00 0.00 O ATOM 0 H SER A 108 -3.351 -4.859 -6.856 1.00 0.00 H new ATOM 0 HA SER A 108 -2.213 -7.310 -7.498 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.156 -6.313 -6.791 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.132 -4.999 -7.416 1.00 0.00 H new ATOM 0 HG SER A 108 -0.159 -4.477 -5.377 1.00 0.00 H new ATOM 1726 N ASP A 109 -2.685 -6.886 -4.255 1.00 0.00 N ATOM 1727 CA ASP A 109 -2.758 -7.589 -2.980 1.00 0.00 C ATOM 1728 C ASP A 109 -3.896 -8.606 -2.984 1.00 0.00 C ATOM 1729 O ASP A 109 -4.815 -8.542 -3.801 1.00 0.00 O ATOM 1730 CB ASP A 109 -2.953 -6.593 -1.835 1.00 0.00 C ATOM 1731 CG ASP A 109 -1.637 -6.106 -1.262 1.00 0.00 C ATOM 1732 OD1 ASP A 109 -0.737 -6.945 -1.045 1.00 0.00 O ATOM 1733 OD2 ASP A 109 -1.506 -4.886 -1.029 1.00 0.00 O ATOM 0 H ASP A 109 -2.941 -5.900 -4.208 1.00 0.00 H new ATOM 0 HA ASP A 109 -1.819 -8.122 -2.833 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.528 -5.739 -2.194 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.539 -7.062 -1.045 1.00 0.00 H new ATOM 1738 N PRO A 110 -3.833 -9.568 -2.052 1.00 0.00 N ATOM 1739 CA PRO A 110 -4.849 -10.617 -1.929 1.00 0.00 C ATOM 1740 C PRO A 110 -6.182 -10.077 -1.422 1.00 0.00 C ATOM 1741 O PRO A 110 -6.229 -9.048 -0.750 1.00 0.00 O ATOM 1742 CB PRO A 110 -4.241 -11.582 -0.908 1.00 0.00 C ATOM 1743 CG PRO A 110 -3.308 -10.743 -0.103 1.00 0.00 C ATOM 1744 CD PRO A 110 -2.766 -9.705 -1.047 1.00 0.00 C ATOM 0 HA PRO A 110 -5.076 -11.078 -2.890 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.011 -12.031 -0.281 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -3.714 -12.399 -1.401 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -3.827 -10.276 0.734 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.504 -11.347 0.317 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -2.570 -8.761 -0.537 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.827 -10.024 -1.499 1.00 0.00 H new ATOM 1752 N GLU A 111 -7.263 -10.779 -1.749 1.00 0.00 N ATOM 1753 CA GLU A 111 -8.596 -10.368 -1.327 1.00 0.00 C ATOM 1754 C GLU A 111 -9.002 -11.078 -0.038 1.00 0.00 C ATOM 1755 O GLU A 111 -8.659 -12.241 0.176 1.00 0.00 O ATOM 1756 CB GLU A 111 -9.618 -10.662 -2.428 1.00 0.00 C ATOM 1757 CG GLU A 111 -9.477 -9.762 -3.644 1.00 0.00 C ATOM 1758 CD GLU A 111 -10.431 -10.139 -4.761 1.00 0.00 C ATOM 1759 OE1 GLU A 111 -11.644 -9.881 -4.619 1.00 0.00 O ATOM 1760 OE2 GLU A 111 -9.963 -10.692 -5.779 1.00 0.00 O ATOM 0 H GLU A 111 -7.241 -11.634 -2.304 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.574 -9.295 -1.139 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.514 -11.701 -2.741 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.622 -10.552 -2.019 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.658 -8.728 -3.350 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.453 -9.813 -4.013 1.00 0.00 H new ATOM 1767 N ILE A 112 -9.734 -10.370 0.815 1.00 0.00 N ATOM 1768 CA ILE A 112 -10.187 -10.932 2.082 1.00 0.00 C ATOM 1769 C ILE A 112 -11.708 -10.912 2.179 1.00 0.00 C ATOM 1770 O ILE A 112 -12.354 -9.949 1.769 1.00 0.00 O ATOM 1771 CB ILE A 112 -9.597 -10.166 3.280 1.00 0.00 C ATOM 1772 CG1 ILE A 112 -9.667 -8.658 3.035 1.00 0.00 C ATOM 1773 CG2 ILE A 112 -8.161 -10.601 3.532 1.00 0.00 C ATOM 1774 CD1 ILE A 112 -9.537 -7.833 4.296 1.00 0.00 C ATOM 0 H ILE A 112 -10.026 -9.406 0.652 1.00 0.00 H new ATOM 0 HA ILE A 112 -9.837 -11.964 2.113 1.00 0.00 H new ATOM 0 HB ILE A 112 -10.187 -10.398 4.166 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -8.875 -8.374 2.342 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -10.615 -8.420 2.551 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.758 -10.050 4.382 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.137 -11.669 3.747 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.558 -10.395 2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -9.596 -6.774 4.045 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -10.344 -8.089 4.983 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -8.578 -8.041 4.770 1.00 0.00 H new