USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 805 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 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 34 LYS NZ :NH3+ -126:sc= 0.765 (180deg=-2.38!) USER MOD Set 2.2: A 68 ASN : amide:sc= -1.9! X(o=-1.1!,f=-1.3) USER MOD Set 3.1: A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0942 K(o=-0.094,f=-2.1!) USER MOD Single : A 23 THR OG1 : rot -130:sc= -0.0647 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 127:sc= 2.37 USER MOD Single : A 43 GLN : amide:sc= -0.0179 X(o=-0.018,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0322 USER MOD Single : A 48 CYS SG : rot -109:sc= -0.0695 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -129:sc= -0.126 (180deg=-2.36) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.331 F(o=-2,f=-0.33) USER MOD Single : A 73 TYR OH : rot -163:sc= 0.922 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.000805) USER MOD Single : A 83 TYR OH : rot -71:sc= 0.0879 USER MOD Single : A 92 SER OG : rot -20:sc= 0.569 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 152:sc= 0 (180deg=-0.268) USER MOD Single : A 99 HIS :FLIP no HE2:sc= -1.04 F(o=-3.7,f=-1) USER MOD Single : A 100 TYR OH : rot 120:sc= -2.57! USER MOD Single : A 101 HIS : no HD1:sc= -0.203 X(o=-0.2,f=-0.17) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= -6.41! C(o=-6.4!,f=-14!) USER MOD Single : A 109 GLN : amide:sc=-0.00439 K(o=-0.0044,f=-0.63) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HE2:sc= -0.0545 K(o=-0.055,f=-0.7) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N PRO A 14 -2.782 1.142 -15.362 1.00 0.00 N ATOM 168 CA PRO A 14 -1.628 1.081 -14.459 1.00 0.00 C ATOM 169 C PRO A 14 -2.042 0.905 -13.002 1.00 0.00 C ATOM 170 O PRO A 14 -1.562 0.002 -12.315 1.00 0.00 O ATOM 171 CB PRO A 14 -0.948 2.437 -14.662 1.00 0.00 C ATOM 172 CG PRO A 14 -2.037 3.343 -15.123 1.00 0.00 C ATOM 173 CD PRO A 14 -2.973 2.486 -15.931 1.00 0.00 C ATOM 0 HA PRO A 14 -0.984 0.229 -14.676 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.499 2.797 -13.736 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.148 2.372 -15.400 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -2.554 3.795 -14.276 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -1.637 4.159 -15.725 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.006 2.819 -15.836 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.726 2.512 -16.992 1.00 0.00 H new ATOM 181 N LEU A 15 -2.935 1.771 -12.536 1.00 0.00 N ATOM 182 CA LEU A 15 -3.414 1.711 -11.160 1.00 0.00 C ATOM 183 C LEU A 15 -4.931 1.557 -11.117 1.00 0.00 C ATOM 184 O LEU A 15 -5.681 2.525 -11.242 1.00 0.00 O ATOM 185 CB LEU A 15 -2.996 2.969 -10.398 1.00 0.00 C ATOM 186 CG LEU A 15 -1.671 2.885 -9.638 1.00 0.00 C ATOM 187 CD1 LEU A 15 -1.769 1.875 -8.505 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.536 2.521 -10.583 1.00 0.00 C ATOM 0 H LEU A 15 -3.342 2.523 -13.091 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.965 0.839 -10.683 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.933 3.795 -11.107 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.784 3.218 -9.687 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.458 3.864 -9.208 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.817 1.829 -7.976 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.555 2.179 -7.813 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.005 0.892 -8.913 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.399 2.466 -10.025 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.741 1.554 -11.043 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.451 3.282 -11.359 1.00 0.00 H new ATOM 200 N PRO A 16 -5.394 0.311 -10.935 1.00 0.00 N ATOM 201 CA PRO A 16 -6.826 0.002 -10.868 1.00 0.00 C ATOM 202 C PRO A 16 -7.476 0.536 -9.597 1.00 0.00 C ATOM 203 O PRO A 16 -6.799 0.790 -8.602 1.00 0.00 O ATOM 204 CB PRO A 16 -6.858 -1.529 -10.884 1.00 0.00 C ATOM 205 CG PRO A 16 -5.536 -1.941 -10.335 1.00 0.00 C ATOM 206 CD PRO A 16 -4.557 -0.890 -10.778 1.00 0.00 C ATOM 0 HA PRO A 16 -7.382 0.463 -11.685 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.677 -1.914 -10.276 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.004 -1.911 -11.894 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.569 -2.009 -9.248 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.248 -2.924 -10.708 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.770 -0.737 -10.040 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.068 -1.164 -11.713 1.00 0.00 H new ATOM 214 N ASN A 17 -8.794 0.702 -9.636 1.00 0.00 N ATOM 215 CA ASN A 17 -9.536 1.206 -8.486 1.00 0.00 C ATOM 216 C ASN A 17 -9.869 0.076 -7.516 1.00 0.00 C ATOM 217 O ASN A 17 -10.912 0.092 -6.863 1.00 0.00 O ATOM 218 CB ASN A 17 -10.823 1.895 -8.945 1.00 0.00 C ATOM 219 CG ASN A 17 -10.550 3.149 -9.754 1.00 0.00 C ATOM 220 OD1 ASN A 17 -9.699 3.961 -9.393 1.00 0.00 O ATOM 221 ND2 ASN A 17 -11.275 3.311 -10.855 1.00 0.00 N ATOM 0 H ASN A 17 -9.370 0.495 -10.452 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.908 1.932 -7.969 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.410 1.200 -9.545 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.425 2.152 -8.074 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.137 4.135 -11.440 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -11.970 2.611 -11.116 1.00 0.00 H new ATOM 228 N SER A 18 -8.974 -0.903 -7.427 1.00 0.00 N ATOM 229 CA SER A 18 -9.174 -2.042 -6.540 1.00 0.00 C ATOM 230 C SER A 18 -8.100 -2.082 -5.456 1.00 0.00 C ATOM 231 O SER A 18 -8.363 -2.476 -4.320 1.00 0.00 O ATOM 232 CB SER A 18 -9.157 -3.347 -7.338 1.00 0.00 C ATOM 233 OG SER A 18 -10.452 -3.671 -7.814 1.00 0.00 O ATOM 0 H SER A 18 -8.104 -0.930 -7.958 1.00 0.00 H new ATOM 0 HA SER A 18 -10.146 -1.930 -6.060 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.470 -3.254 -8.179 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.784 -4.156 -6.710 1.00 0.00 H new ATOM 0 HG SER A 18 -10.414 -4.508 -8.322 1.00 0.00 H new ATOM 239 N VAL A 19 -6.889 -1.671 -5.818 1.00 0.00 N ATOM 240 CA VAL A 19 -5.774 -1.658 -4.878 1.00 0.00 C ATOM 241 C VAL A 19 -5.975 -0.596 -3.802 1.00 0.00 C ATOM 242 O VAL A 19 -5.444 -0.709 -2.697 1.00 0.00 O ATOM 243 CB VAL A 19 -4.437 -1.398 -5.596 1.00 0.00 C ATOM 244 CG1 VAL A 19 -4.123 -2.527 -6.566 1.00 0.00 C ATOM 245 CG2 VAL A 19 -4.472 -0.059 -6.318 1.00 0.00 C ATOM 0 H VAL A 19 -6.655 -1.343 -6.755 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.742 -2.643 -4.412 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.644 -1.362 -4.849 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.175 -2.326 -7.064 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.053 -3.467 -6.019 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.916 -2.598 -7.311 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.519 0.109 -6.820 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.275 -0.064 -7.055 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.647 0.739 -5.596 1.00 0.00 H new ATOM 255 N PHE A 20 -6.745 0.435 -4.133 1.00 0.00 N ATOM 256 CA PHE A 20 -7.017 1.518 -3.195 1.00 0.00 C ATOM 257 C PHE A 20 -8.150 1.144 -2.244 1.00 0.00 C ATOM 258 O PHE A 20 -9.326 1.232 -2.598 1.00 0.00 O ATOM 259 CB PHE A 20 -7.373 2.800 -3.952 1.00 0.00 C ATOM 260 CG PHE A 20 -6.344 3.200 -4.970 1.00 0.00 C ATOM 261 CD1 PHE A 20 -6.273 2.555 -6.194 1.00 0.00 C ATOM 262 CD2 PHE A 20 -5.446 4.222 -4.702 1.00 0.00 C ATOM 263 CE1 PHE A 20 -5.327 2.922 -7.133 1.00 0.00 C ATOM 264 CE2 PHE A 20 -4.499 4.593 -5.637 1.00 0.00 C ATOM 265 CZ PHE A 20 -4.438 3.941 -6.853 1.00 0.00 C ATOM 0 H PHE A 20 -7.192 0.543 -5.044 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.115 1.690 -2.607 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.332 2.663 -4.451 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -7.499 3.612 -3.236 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.965 1.756 -6.417 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.487 4.734 -3.752 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.283 2.412 -8.084 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.807 5.392 -5.417 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.696 4.228 -7.584 1.00 0.00 H new ATOM 275 N VAL A 21 -7.788 0.725 -1.036 1.00 0.00 N ATOM 276 CA VAL A 21 -8.773 0.338 -0.034 1.00 0.00 C ATOM 277 C VAL A 21 -9.069 1.490 0.920 1.00 0.00 C ATOM 278 O VAL A 21 -8.206 2.324 1.188 1.00 0.00 O ATOM 279 CB VAL A 21 -8.295 -0.879 0.781 1.00 0.00 C ATOM 280 CG1 VAL A 21 -6.992 -0.564 1.499 1.00 0.00 C ATOM 281 CG2 VAL A 21 -9.368 -1.312 1.770 1.00 0.00 C ATOM 0 H VAL A 21 -6.819 0.645 -0.728 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.684 0.072 -0.571 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.111 -1.705 0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.671 -1.436 2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.226 -0.307 0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.144 0.277 2.176 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.014 -2.173 2.337 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.585 -0.491 2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.274 -1.583 1.228 1.00 0.00 H new ATOM 291 N ASN A 22 -10.295 1.528 1.430 1.00 0.00 N ATOM 292 CA ASN A 22 -10.706 2.578 2.355 1.00 0.00 C ATOM 293 C ASN A 22 -10.362 2.202 3.793 1.00 0.00 C ATOM 294 O ASN A 22 -11.024 2.636 4.737 1.00 0.00 O ATOM 295 CB ASN A 22 -12.209 2.838 2.230 1.00 0.00 C ATOM 296 CG ASN A 22 -12.591 4.239 2.664 1.00 0.00 C ATOM 297 OD1 ASN A 22 -11.729 5.087 2.893 1.00 0.00 O ATOM 298 ND2 ASN A 22 -13.890 4.489 2.779 1.00 0.00 N ATOM 0 H ASN A 22 -11.022 0.844 1.219 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.164 3.488 2.096 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -12.517 2.684 1.196 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.752 2.112 2.835 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -14.208 5.414 3.067 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -14.570 3.756 2.579 1.00 0.00 H new ATOM 305 N THR A 23 -9.320 1.391 3.954 1.00 0.00 N ATOM 306 CA THR A 23 -8.888 0.955 5.276 1.00 0.00 C ATOM 307 C THR A 23 -7.631 1.699 5.716 1.00 0.00 C ATOM 308 O THR A 23 -6.654 1.782 4.972 1.00 0.00 O ATOM 309 CB THR A 23 -8.611 -0.560 5.305 1.00 0.00 C ATOM 310 OG1 THR A 23 -8.848 -1.075 6.620 1.00 0.00 O ATOM 311 CG2 THR A 23 -7.178 -0.856 4.889 1.00 0.00 C ATOM 0 H THR A 23 -8.760 1.023 3.185 1.00 0.00 H new ATOM 0 HA THR A 23 -9.701 1.181 5.966 1.00 0.00 H new ATOM 0 HB THR A 23 -9.285 -1.045 4.598 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.079 -1.611 6.905 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.006 -1.932 4.917 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.010 -0.488 3.877 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.490 -0.361 5.574 1.00 0.00 H new ATOM 319 N THR A 24 -7.663 2.237 6.931 1.00 0.00 N ATOM 320 CA THR A 24 -6.527 2.974 7.470 1.00 0.00 C ATOM 321 C THR A 24 -5.772 2.143 8.501 1.00 0.00 C ATOM 322 O THR A 24 -5.203 2.683 9.449 1.00 0.00 O ATOM 323 CB THR A 24 -6.973 4.297 8.120 1.00 0.00 C ATOM 324 OG1 THR A 24 -7.967 4.042 9.118 1.00 0.00 O ATOM 325 CG2 THR A 24 -7.530 5.253 7.075 1.00 0.00 C ATOM 0 H THR A 24 -8.463 2.176 7.560 1.00 0.00 H new ATOM 0 HA THR A 24 -5.867 3.195 6.631 1.00 0.00 H new ATOM 0 HB THR A 24 -6.102 4.759 8.585 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.244 4.888 9.528 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.838 6.180 7.558 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.761 5.469 6.333 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.390 4.796 6.585 1.00 0.00 H new ATOM 333 N GLU A 25 -5.772 0.828 8.310 1.00 0.00 N ATOM 334 CA GLU A 25 -5.087 -0.077 9.225 1.00 0.00 C ATOM 335 C GLU A 25 -4.190 -1.047 8.462 1.00 0.00 C ATOM 336 O GLU A 25 -4.207 -1.088 7.232 1.00 0.00 O ATOM 337 CB GLU A 25 -6.102 -0.856 10.063 1.00 0.00 C ATOM 338 CG GLU A 25 -7.069 0.032 10.828 1.00 0.00 C ATOM 339 CD GLU A 25 -6.561 0.393 12.211 1.00 0.00 C ATOM 340 OE1 GLU A 25 -5.457 0.969 12.305 1.00 0.00 O ATOM 341 OE2 GLU A 25 -7.267 0.099 13.198 1.00 0.00 O ATOM 0 H GLU A 25 -6.239 0.365 7.530 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.463 0.523 9.888 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.670 -1.518 9.408 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.567 -1.490 10.770 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.245 0.945 10.260 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.029 -0.476 10.919 1.00 0.00 H new ATOM 348 N SER A 26 -3.406 -1.826 9.201 1.00 0.00 N ATOM 349 CA SER A 26 -2.499 -2.793 8.595 1.00 0.00 C ATOM 350 C SER A 26 -3.011 -4.217 8.793 1.00 0.00 C ATOM 351 O SER A 26 -3.045 -5.012 7.853 1.00 0.00 O ATOM 352 CB SER A 26 -1.098 -2.655 9.193 1.00 0.00 C ATOM 353 OG SER A 26 -1.143 -2.690 10.609 1.00 0.00 O ATOM 0 H SER A 26 -3.381 -1.806 10.220 1.00 0.00 H new ATOM 0 HA SER A 26 -2.451 -2.588 7.526 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.461 -3.460 8.826 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.649 -1.718 8.863 1.00 0.00 H new ATOM 0 HG SER A 26 -0.235 -2.602 10.967 1.00 0.00 H new ATOM 359 N CYS A 27 -3.407 -4.530 10.021 1.00 0.00 N ATOM 360 CA CYS A 27 -3.917 -5.858 10.345 1.00 0.00 C ATOM 361 C CYS A 27 -5.062 -6.243 9.414 1.00 0.00 C ATOM 362 O CYS A 27 -5.141 -7.380 8.950 1.00 0.00 O ATOM 363 CB CYS A 27 -4.388 -5.906 11.799 1.00 0.00 C ATOM 364 SG CYS A 27 -3.101 -6.381 12.977 1.00 0.00 S ATOM 0 H CYS A 27 -3.385 -3.883 10.809 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.106 -6.574 10.210 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.776 -4.926 12.077 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.216 -6.610 11.878 1.00 0.00 H new ATOM 0 HG CYS A 27 -3.595 -6.391 14.179 1.00 0.00 H new ATOM 370 N GLU A 28 -5.947 -5.288 9.146 1.00 0.00 N ATOM 371 CA GLU A 28 -7.089 -5.529 8.272 1.00 0.00 C ATOM 372 C GLU A 28 -6.629 -5.989 6.891 1.00 0.00 C ATOM 373 O GLU A 28 -6.951 -7.094 6.454 1.00 0.00 O ATOM 374 CB GLU A 28 -7.937 -4.262 8.143 1.00 0.00 C ATOM 375 CG GLU A 28 -9.144 -4.427 7.236 1.00 0.00 C ATOM 376 CD GLU A 28 -10.252 -5.236 7.881 1.00 0.00 C ATOM 377 OE1 GLU A 28 -10.662 -4.887 9.009 1.00 0.00 O ATOM 378 OE2 GLU A 28 -10.710 -6.218 7.260 1.00 0.00 O ATOM 0 H GLU A 28 -5.895 -4.341 9.521 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.694 -6.319 8.717 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.276 -3.960 9.134 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.313 -3.455 7.760 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.528 -3.443 6.966 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.835 -4.914 6.311 1.00 0.00 H new ATOM 385 N VAL A 29 -5.876 -5.132 6.209 1.00 0.00 N ATOM 386 CA VAL A 29 -5.372 -5.450 4.878 1.00 0.00 C ATOM 387 C VAL A 29 -4.908 -6.900 4.798 1.00 0.00 C ATOM 388 O VAL A 29 -5.301 -7.638 3.895 1.00 0.00 O ATOM 389 CB VAL A 29 -4.203 -4.526 4.485 1.00 0.00 C ATOM 390 CG1 VAL A 29 -3.637 -4.927 3.132 1.00 0.00 C ATOM 391 CG2 VAL A 29 -4.654 -3.073 4.475 1.00 0.00 C ATOM 0 H VAL A 29 -5.602 -4.213 6.556 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.197 -5.297 4.182 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.412 -4.632 5.228 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.813 -4.263 2.871 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.275 -5.954 3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.417 -4.851 2.374 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.816 -2.434 4.195 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.462 -2.948 3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.007 -2.795 5.468 1.00 0.00 H new ATOM 401 N GLU A 30 -4.070 -7.301 5.749 1.00 0.00 N ATOM 402 CA GLU A 30 -3.553 -8.664 5.785 1.00 0.00 C ATOM 403 C GLU A 30 -4.691 -9.680 5.735 1.00 0.00 C ATOM 404 O GLU A 30 -4.598 -10.699 5.050 1.00 0.00 O ATOM 405 CB GLU A 30 -2.715 -8.882 7.046 1.00 0.00 C ATOM 406 CG GLU A 30 -2.220 -10.309 7.209 1.00 0.00 C ATOM 407 CD GLU A 30 -1.802 -10.623 8.632 1.00 0.00 C ATOM 408 OE1 GLU A 30 -1.479 -9.674 9.378 1.00 0.00 O ATOM 409 OE2 GLU A 30 -1.797 -11.816 9.001 1.00 0.00 O ATOM 0 H GLU A 30 -3.735 -6.702 6.504 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.922 -8.809 4.908 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.858 -8.209 7.023 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.309 -8.611 7.918 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.007 -10.999 6.905 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.375 -10.475 6.541 1.00 0.00 H new ATOM 416 N ARG A 31 -5.763 -9.394 6.466 1.00 0.00 N ATOM 417 CA ARG A 31 -6.919 -10.282 6.507 1.00 0.00 C ATOM 418 C ARG A 31 -7.654 -10.280 5.170 1.00 0.00 C ATOM 419 O ARG A 31 -7.971 -11.337 4.622 1.00 0.00 O ATOM 420 CB ARG A 31 -7.873 -9.861 7.626 1.00 0.00 C ATOM 421 CG ARG A 31 -9.163 -10.663 7.660 1.00 0.00 C ATOM 422 CD ARG A 31 -9.708 -10.782 9.075 1.00 0.00 C ATOM 423 NE ARG A 31 -11.043 -11.375 9.099 1.00 0.00 N ATOM 424 CZ ARG A 31 -11.554 -11.991 10.159 1.00 0.00 C ATOM 425 NH1 ARG A 31 -10.846 -12.096 11.275 1.00 0.00 N ATOM 426 NH2 ARG A 31 -12.776 -12.505 10.104 1.00 0.00 N ATOM 0 H ARG A 31 -5.855 -8.555 7.038 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.562 -11.293 6.704 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.364 -9.966 8.584 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.115 -8.805 7.508 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.906 -10.186 7.022 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.985 -11.658 7.253 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.030 -11.390 9.675 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.742 -9.794 9.535 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.614 -11.313 8.256 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.906 -11.703 11.321 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.241 -12.570 12.087 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.324 -12.427 9.247 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.168 -12.978 10.919 1.00 0.00 H new ATOM 440 N LEU A 32 -7.923 -9.088 4.650 1.00 0.00 N ATOM 441 CA LEU A 32 -8.621 -8.948 3.377 1.00 0.00 C ATOM 442 C LEU A 32 -7.966 -9.805 2.299 1.00 0.00 C ATOM 443 O LEU A 32 -8.619 -10.639 1.672 1.00 0.00 O ATOM 444 CB LEU A 32 -8.636 -7.482 2.940 1.00 0.00 C ATOM 445 CG LEU A 32 -9.177 -6.482 3.962 1.00 0.00 C ATOM 446 CD1 LEU A 32 -9.143 -5.070 3.398 1.00 0.00 C ATOM 447 CD2 LEU A 32 -10.592 -6.858 4.379 1.00 0.00 C ATOM 0 H LEU A 32 -7.668 -8.204 5.090 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.647 -9.291 3.514 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.618 -7.191 2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.232 -7.401 2.031 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.539 -6.514 4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.532 -4.372 4.140 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.116 -4.802 3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.757 -5.023 2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.961 -6.135 5.107 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.242 -6.856 3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.588 -7.852 4.825 1.00 0.00 H new ATOM 459 N PHE A 33 -6.670 -9.596 2.090 1.00 0.00 N ATOM 460 CA PHE A 33 -5.926 -10.350 1.089 1.00 0.00 C ATOM 461 C PHE A 33 -6.366 -11.811 1.071 1.00 0.00 C ATOM 462 O PHE A 33 -6.864 -12.309 0.061 1.00 0.00 O ATOM 463 CB PHE A 33 -4.423 -10.261 1.366 1.00 0.00 C ATOM 464 CG PHE A 33 -3.800 -8.982 0.886 1.00 0.00 C ATOM 465 CD1 PHE A 33 -4.544 -7.815 0.821 1.00 0.00 C ATOM 466 CD2 PHE A 33 -2.470 -8.946 0.501 1.00 0.00 C ATOM 467 CE1 PHE A 33 -3.973 -6.637 0.380 1.00 0.00 C ATOM 468 CE2 PHE A 33 -1.893 -7.770 0.058 1.00 0.00 C ATOM 469 CZ PHE A 33 -2.645 -6.614 -0.001 1.00 0.00 C ATOM 0 H PHE A 33 -6.114 -8.910 2.601 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.135 -9.914 0.112 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.253 -10.359 2.438 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.923 -11.102 0.886 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.582 -7.826 1.118 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.877 -9.847 0.547 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.564 -5.734 0.333 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.855 -7.756 -0.241 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.196 -5.694 -0.344 1.00 0.00 H new ATOM 479 N LYS A 34 -6.177 -12.494 2.195 1.00 0.00 N ATOM 480 CA LYS A 34 -6.553 -13.897 2.311 1.00 0.00 C ATOM 481 C LYS A 34 -8.057 -14.074 2.125 1.00 0.00 C ATOM 482 O LYS A 34 -8.519 -15.132 1.699 1.00 0.00 O ATOM 483 CB LYS A 34 -6.129 -14.450 3.674 1.00 0.00 C ATOM 484 CG LYS A 34 -4.644 -14.300 3.955 1.00 0.00 C ATOM 485 CD LYS A 34 -4.376 -14.086 5.436 1.00 0.00 C ATOM 486 CE LYS A 34 -2.890 -13.921 5.715 1.00 0.00 C ATOM 487 NZ LYS A 34 -2.118 -15.139 5.345 1.00 0.00 N ATOM 0 H LYS A 34 -5.765 -12.097 3.040 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.039 -14.451 1.525 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.692 -13.939 4.455 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.396 -15.505 3.728 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.116 -15.191 3.614 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.248 -13.458 3.387 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.912 -13.202 5.780 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.762 -14.933 6.003 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.508 -13.066 5.157 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.741 -13.704 6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.557 -15.455 6.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.775 -15.894 5.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.482 -14.919 4.552 1.00 0.00 H new ATOM 501 N ALA A 35 -8.815 -13.031 2.446 1.00 0.00 N ATOM 502 CA ALA A 35 -10.266 -13.070 2.310 1.00 0.00 C ATOM 503 C ALA A 35 -10.680 -13.074 0.842 1.00 0.00 C ATOM 504 O ALA A 35 -11.263 -14.042 0.352 1.00 0.00 O ATOM 505 CB ALA A 35 -10.896 -11.891 3.036 1.00 0.00 C ATOM 0 H ALA A 35 -8.448 -12.148 2.802 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.624 -13.994 2.763 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.980 -11.933 2.926 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.637 -11.934 4.094 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.524 -10.960 2.609 1.00 0.00 H new ATOM 511 N THR A 36 -10.377 -11.983 0.144 1.00 0.00 N ATOM 512 CA THR A 36 -10.720 -11.860 -1.267 1.00 0.00 C ATOM 513 C THR A 36 -10.305 -13.104 -2.044 1.00 0.00 C ATOM 514 O THR A 36 -10.812 -13.363 -3.136 1.00 0.00 O ATOM 515 CB THR A 36 -10.052 -10.625 -1.901 1.00 0.00 C ATOM 516 OG1 THR A 36 -10.472 -10.487 -3.263 1.00 0.00 O ATOM 517 CG2 THR A 36 -8.536 -10.740 -1.842 1.00 0.00 C ATOM 0 H THR A 36 -9.895 -11.173 0.533 1.00 0.00 H new ATOM 0 HA THR A 36 -11.803 -11.746 -1.321 1.00 0.00 H new ATOM 0 HB THR A 36 -10.356 -9.744 -1.336 1.00 0.00 H new ATOM 0 HG1 THR A 36 -10.045 -9.699 -3.659 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.086 -9.857 -2.295 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.217 -10.817 -0.803 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.217 -11.629 -2.386 1.00 0.00 H new ATOM 525 N SER A 37 -9.381 -13.871 -1.475 1.00 0.00 N ATOM 526 CA SER A 37 -8.895 -15.087 -2.117 1.00 0.00 C ATOM 527 C SER A 37 -9.932 -16.202 -2.022 1.00 0.00 C ATOM 528 O SER A 37 -10.487 -16.480 -0.959 1.00 0.00 O ATOM 529 CB SER A 37 -7.583 -15.539 -1.474 1.00 0.00 C ATOM 530 OG SER A 37 -7.303 -16.894 -1.785 1.00 0.00 O ATOM 0 H SER A 37 -8.954 -13.672 -0.570 1.00 0.00 H new ATOM 0 HA SER A 37 -8.718 -14.867 -3.170 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.767 -14.906 -1.822 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.643 -15.416 -0.393 1.00 0.00 H new ATOM 0 HG SER A 37 -6.400 -16.964 -2.159 1.00 0.00 H new ATOM 536 N PRO A 38 -10.201 -16.857 -3.161 1.00 0.00 N ATOM 537 CA PRO A 38 -11.172 -17.953 -3.234 1.00 0.00 C ATOM 538 C PRO A 38 -10.687 -19.206 -2.513 1.00 0.00 C ATOM 539 O PRO A 38 -11.444 -20.160 -2.328 1.00 0.00 O ATOM 540 CB PRO A 38 -11.298 -18.216 -4.737 1.00 0.00 C ATOM 541 CG PRO A 38 -10.008 -17.745 -5.314 1.00 0.00 C ATOM 542 CD PRO A 38 -9.577 -16.580 -4.466 1.00 0.00 C ATOM 0 HA PRO A 38 -12.115 -17.695 -2.752 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.460 -19.274 -4.941 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.143 -17.676 -5.164 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.260 -18.538 -5.297 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.132 -17.446 -6.355 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.491 -16.520 -4.388 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.919 -15.632 -4.882 1.00 0.00 H new ATOM 550 N ARG A 39 -9.422 -19.197 -2.107 1.00 0.00 N ATOM 551 CA ARG A 39 -8.836 -20.334 -1.406 1.00 0.00 C ATOM 552 C ARG A 39 -8.286 -19.910 -0.047 1.00 0.00 C ATOM 553 O ARG A 39 -7.466 -20.608 0.547 1.00 0.00 O ATOM 554 CB ARG A 39 -7.721 -20.959 -2.246 1.00 0.00 C ATOM 555 CG ARG A 39 -8.230 -21.750 -3.440 1.00 0.00 C ATOM 556 CD ARG A 39 -7.118 -22.563 -4.084 1.00 0.00 C ATOM 557 NE ARG A 39 -7.603 -23.362 -5.207 1.00 0.00 N ATOM 558 CZ ARG A 39 -8.188 -24.546 -5.068 1.00 0.00 C ATOM 559 NH1 ARG A 39 -8.360 -25.066 -3.860 1.00 0.00 N ATOM 560 NH2 ARG A 39 -8.603 -25.212 -6.137 1.00 0.00 N ATOM 0 H ARG A 39 -8.783 -18.415 -2.251 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.620 -21.074 -1.247 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.058 -20.170 -2.600 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.125 -21.616 -1.613 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.032 -22.416 -3.122 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.656 -21.067 -4.175 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.332 -21.892 -4.430 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.671 -23.220 -3.338 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.486 -22.990 -6.149 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.043 -24.556 -3.035 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.810 -25.976 -3.756 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.473 -24.815 -7.067 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.052 -26.121 -6.029 1.00 0.00 H new ATOM 574 N GLY A 40 -8.745 -18.761 0.439 1.00 0.00 N ATOM 575 CA GLY A 40 -8.288 -18.263 1.724 1.00 0.00 C ATOM 576 C GLY A 40 -6.782 -18.101 1.780 1.00 0.00 C ATOM 577 O GLY A 40 -6.170 -18.293 2.830 1.00 0.00 O ATOM 0 H GLY A 40 -9.425 -18.166 -0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.762 -17.303 1.927 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.606 -18.948 2.510 1.00 0.00 H new ATOM 581 N GLU A 41 -6.184 -17.747 0.647 1.00 0.00 N ATOM 582 CA GLU A 41 -4.739 -17.561 0.572 1.00 0.00 C ATOM 583 C GLU A 41 -4.369 -16.638 -0.586 1.00 0.00 C ATOM 584 O GLU A 41 -4.693 -16.895 -1.745 1.00 0.00 O ATOM 585 CB GLU A 41 -4.037 -18.911 0.408 1.00 0.00 C ATOM 586 CG GLU A 41 -4.498 -19.692 -0.811 1.00 0.00 C ATOM 587 CD GLU A 41 -3.757 -21.005 -0.977 1.00 0.00 C ATOM 588 OE1 GLU A 41 -4.045 -21.949 -0.212 1.00 0.00 O ATOM 589 OE2 GLU A 41 -2.890 -21.088 -1.871 1.00 0.00 O ATOM 0 H GLU A 41 -6.677 -17.583 -0.231 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.408 -17.099 1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.962 -18.746 0.338 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.210 -19.512 1.301 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.567 -19.890 -0.728 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.355 -19.083 -1.704 1.00 0.00 H new ATOM 596 N PRO A 42 -3.673 -15.537 -0.265 1.00 0.00 N ATOM 597 CA PRO A 42 -3.243 -14.554 -1.263 1.00 0.00 C ATOM 598 C PRO A 42 -2.150 -15.096 -2.178 1.00 0.00 C ATOM 599 O PRO A 42 -1.486 -16.079 -1.850 1.00 0.00 O ATOM 600 CB PRO A 42 -2.705 -13.399 -0.414 1.00 0.00 C ATOM 601 CG PRO A 42 -2.294 -14.032 0.870 1.00 0.00 C ATOM 602 CD PRO A 42 -3.253 -15.168 1.097 1.00 0.00 C ATOM 0 HA PRO A 42 -4.056 -14.269 -1.930 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.862 -12.909 -0.901 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.468 -12.637 -0.253 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.267 -14.393 0.816 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.337 -13.315 1.690 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.774 -16.002 1.610 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.101 -14.862 1.710 1.00 0.00 H new ATOM 610 N GLN A 43 -1.970 -14.449 -3.325 1.00 0.00 N ATOM 611 CA GLN A 43 -0.957 -14.868 -4.286 1.00 0.00 C ATOM 612 C GLN A 43 0.341 -14.094 -4.082 1.00 0.00 C ATOM 613 O GLN A 43 0.323 -12.892 -3.816 1.00 0.00 O ATOM 614 CB GLN A 43 -1.466 -14.666 -5.715 1.00 0.00 C ATOM 615 CG GLN A 43 -2.282 -15.835 -6.241 1.00 0.00 C ATOM 616 CD GLN A 43 -3.336 -15.407 -7.243 1.00 0.00 C ATOM 617 OE1 GLN A 43 -4.503 -15.785 -7.133 1.00 0.00 O ATOM 618 NE2 GLN A 43 -2.930 -14.614 -8.227 1.00 0.00 N ATOM 0 H GLN A 43 -2.512 -13.634 -3.611 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.756 -15.927 -4.125 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.076 -13.763 -5.750 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.614 -14.502 -6.375 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.614 -16.558 -6.709 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.765 -16.341 -5.405 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -1.953 -14.325 -8.279 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.595 -14.293 -8.931 1.00 0.00 H new ATOM 627 N ASP A 44 1.465 -14.790 -4.207 1.00 0.00 N ATOM 628 CA ASP A 44 2.773 -14.168 -4.037 1.00 0.00 C ATOM 629 C ASP A 44 2.904 -12.929 -4.917 1.00 0.00 C ATOM 630 O ASP A 44 2.915 -13.025 -6.144 1.00 0.00 O ATOM 631 CB ASP A 44 3.884 -15.166 -4.370 1.00 0.00 C ATOM 632 CG ASP A 44 5.256 -14.522 -4.384 1.00 0.00 C ATOM 633 OD1 ASP A 44 5.885 -14.443 -3.308 1.00 0.00 O ATOM 634 OD2 ASP A 44 5.701 -14.097 -5.470 1.00 0.00 O ATOM 0 H ASP A 44 1.497 -15.786 -4.426 1.00 0.00 H new ATOM 0 HA ASP A 44 2.870 -13.863 -2.995 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.873 -15.975 -3.639 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.686 -15.614 -5.344 1.00 0.00 H new ATOM 639 N GLY A 45 3.003 -11.765 -4.282 1.00 0.00 N ATOM 640 CA GLY A 45 3.131 -10.524 -5.023 1.00 0.00 C ATOM 641 C GLY A 45 1.916 -9.631 -4.871 1.00 0.00 C ATOM 642 O GLY A 45 1.843 -8.561 -5.478 1.00 0.00 O ATOM 0 H GLY A 45 2.997 -11.660 -3.267 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.017 -9.989 -4.680 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.283 -10.749 -6.079 1.00 0.00 H new ATOM 646 N LEU A 46 0.959 -10.069 -4.061 1.00 0.00 N ATOM 647 CA LEU A 46 -0.260 -9.302 -3.832 1.00 0.00 C ATOM 648 C LEU A 46 0.053 -7.967 -3.163 1.00 0.00 C ATOM 649 O LEU A 46 0.452 -7.924 -1.999 1.00 0.00 O ATOM 650 CB LEU A 46 -1.235 -10.102 -2.968 1.00 0.00 C ATOM 651 CG LEU A 46 -2.714 -9.737 -3.109 1.00 0.00 C ATOM 652 CD1 LEU A 46 -3.185 -9.961 -4.538 1.00 0.00 C ATOM 653 CD2 LEU A 46 -3.558 -10.545 -2.134 1.00 0.00 C ATOM 0 H LEU A 46 1.004 -10.952 -3.552 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.721 -9.103 -4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.118 -11.159 -3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.949 -9.978 -1.923 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.832 -8.680 -2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.239 -9.696 -4.619 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.601 -9.338 -5.215 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.053 -11.010 -4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.607 -10.272 -2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.435 -11.608 -2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.237 -10.334 -1.114 1.00 0.00 H new ATOM 665 N TYR A 47 -0.132 -6.881 -3.905 1.00 0.00 N ATOM 666 CA TYR A 47 0.131 -5.545 -3.384 1.00 0.00 C ATOM 667 C TYR A 47 -1.130 -4.687 -3.422 1.00 0.00 C ATOM 668 O TYR A 47 -2.076 -4.987 -4.151 1.00 0.00 O ATOM 669 CB TYR A 47 1.245 -4.872 -4.187 1.00 0.00 C ATOM 670 CG TYR A 47 0.880 -4.618 -5.633 1.00 0.00 C ATOM 671 CD1 TYR A 47 1.033 -5.610 -6.593 1.00 0.00 C ATOM 672 CD2 TYR A 47 0.381 -3.386 -6.037 1.00 0.00 C ATOM 673 CE1 TYR A 47 0.702 -5.381 -7.915 1.00 0.00 C ATOM 674 CE2 TYR A 47 0.045 -3.149 -7.356 1.00 0.00 C ATOM 675 CZ TYR A 47 0.208 -4.150 -8.291 1.00 0.00 C ATOM 676 OH TYR A 47 -0.125 -3.919 -9.606 1.00 0.00 O ATOM 0 H TYR A 47 -0.463 -6.900 -4.870 1.00 0.00 H new ATOM 0 HA TYR A 47 0.449 -5.643 -2.346 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.501 -3.924 -3.714 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.137 -5.498 -4.150 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.417 -6.576 -6.301 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.254 -2.600 -5.307 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.830 -6.162 -8.650 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.343 -2.186 -7.653 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.459 -3.003 -9.703 1.00 0.00 H new ATOM 686 N CYS A 48 -1.134 -3.619 -2.633 1.00 0.00 N ATOM 687 CA CYS A 48 -2.278 -2.716 -2.576 1.00 0.00 C ATOM 688 C CYS A 48 -1.855 -1.333 -2.092 1.00 0.00 C ATOM 689 O CYS A 48 -0.668 -1.069 -1.896 1.00 0.00 O ATOM 690 CB CYS A 48 -3.357 -3.284 -1.652 1.00 0.00 C ATOM 691 SG CYS A 48 -3.092 -2.926 0.100 1.00 0.00 S ATOM 0 H CYS A 48 -0.359 -3.357 -2.024 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.685 -2.621 -3.583 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.325 -2.882 -1.952 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.405 -4.364 -1.788 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.759 -4.019 0.721 1.00 0.00 H new ATOM 697 N ILE A 49 -2.833 -0.453 -1.904 1.00 0.00 N ATOM 698 CA ILE A 49 -2.561 0.903 -1.444 1.00 0.00 C ATOM 699 C ILE A 49 -3.630 1.376 -0.464 1.00 0.00 C ATOM 700 O ILE A 49 -4.752 1.695 -0.860 1.00 0.00 O ATOM 701 CB ILE A 49 -2.487 1.893 -2.622 1.00 0.00 C ATOM 702 CG1 ILE A 49 -1.360 1.498 -3.578 1.00 0.00 C ATOM 703 CG2 ILE A 49 -2.282 3.311 -2.110 1.00 0.00 C ATOM 704 CD1 ILE A 49 -1.442 2.182 -4.924 1.00 0.00 C ATOM 0 H ILE A 49 -3.820 -0.655 -2.063 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.595 0.877 -0.940 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.430 1.857 -3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.402 1.737 -3.116 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.382 0.418 -3.726 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.232 3.999 -2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.115 3.589 -1.465 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.352 3.363 -1.544 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.612 1.855 -5.550 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.384 1.923 -5.407 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.389 3.262 -4.787 1.00 0.00 H new ATOM 716 N ARG A 50 -3.274 1.420 0.815 1.00 0.00 N ATOM 717 CA ARG A 50 -4.202 1.855 1.852 1.00 0.00 C ATOM 718 C ARG A 50 -3.892 3.282 2.296 1.00 0.00 C ATOM 719 O ARG A 50 -2.887 3.864 1.891 1.00 0.00 O ATOM 720 CB ARG A 50 -4.137 0.910 3.054 1.00 0.00 C ATOM 721 CG ARG A 50 -2.810 0.957 3.794 1.00 0.00 C ATOM 722 CD ARG A 50 -2.647 -0.238 4.720 1.00 0.00 C ATOM 723 NE ARG A 50 -1.597 -0.022 5.712 1.00 0.00 N ATOM 724 CZ ARG A 50 -1.672 0.892 6.674 1.00 0.00 C ATOM 725 NH1 ARG A 50 -2.741 1.669 6.773 1.00 0.00 N ATOM 726 NH2 ARG A 50 -0.676 1.028 7.540 1.00 0.00 N ATOM 0 H ARG A 50 -2.350 1.160 1.158 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.209 1.833 1.435 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.939 1.162 3.747 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.318 -0.110 2.714 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.991 0.976 3.075 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.747 1.879 4.373 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.591 -0.434 5.228 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.412 -1.124 4.130 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.761 -0.604 5.664 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.509 1.566 6.110 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.796 2.370 7.512 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.148 0.431 7.468 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.734 1.730 8.278 1.00 0.00 H new ATOM 740 N ASN A 51 -4.764 3.839 3.130 1.00 0.00 N ATOM 741 CA ASN A 51 -4.584 5.198 3.629 1.00 0.00 C ATOM 742 C ASN A 51 -3.729 5.205 4.892 1.00 0.00 C ATOM 743 O ASN A 51 -3.618 4.194 5.585 1.00 0.00 O ATOM 744 CB ASN A 51 -5.942 5.842 3.915 1.00 0.00 C ATOM 745 CG ASN A 51 -6.566 6.451 2.674 1.00 0.00 C ATOM 746 OD1 ASN A 51 -6.510 7.663 2.468 1.00 0.00 O ATOM 747 ND2 ASN A 51 -7.165 5.609 1.839 1.00 0.00 N ATOM 0 H ASN A 51 -5.602 3.371 3.475 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.070 5.776 2.861 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.617 5.092 4.327 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.822 6.615 4.674 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.602 5.960 0.987 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.187 4.611 2.050 1.00 0.00 H new ATOM 830 N LYS A 58 -0.463 8.066 1.453 1.00 0.00 N ATOM 831 CA LYS A 58 -0.815 6.668 1.237 1.00 0.00 C ATOM 832 C LYS A 58 0.335 5.749 1.640 1.00 0.00 C ATOM 833 O LYS A 58 1.464 6.200 1.836 1.00 0.00 O ATOM 834 CB LYS A 58 -1.178 6.433 -0.231 1.00 0.00 C ATOM 835 CG LYS A 58 -2.452 7.139 -0.662 1.00 0.00 C ATOM 836 CD LYS A 58 -3.687 6.331 -0.300 1.00 0.00 C ATOM 837 CE LYS A 58 -4.890 6.748 -1.133 1.00 0.00 C ATOM 838 NZ LYS A 58 -5.379 8.104 -0.761 1.00 0.00 N ATOM 0 HA LYS A 58 -1.679 6.436 1.860 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.354 6.772 -0.859 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.290 5.362 -0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.505 8.119 -0.187 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.429 7.308 -1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.487 5.271 -0.453 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.912 6.463 0.758 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.622 6.736 -2.189 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.693 6.023 -1.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.199 8.351 -1.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.659 8.109 0.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.621 8.800 -0.912 1.00 0.00 H new ATOM 852 N VAL A 59 0.040 4.459 1.762 1.00 0.00 N ATOM 853 CA VAL A 59 1.050 3.477 2.139 1.00 0.00 C ATOM 854 C VAL A 59 0.912 2.202 1.315 1.00 0.00 C ATOM 855 O VAL A 59 -0.096 1.499 1.402 1.00 0.00 O ATOM 856 CB VAL A 59 0.955 3.120 3.635 1.00 0.00 C ATOM 857 CG1 VAL A 59 1.961 2.036 3.991 1.00 0.00 C ATOM 858 CG2 VAL A 59 1.168 4.359 4.492 1.00 0.00 C ATOM 0 H VAL A 59 -0.890 4.069 1.605 1.00 0.00 H new ATOM 0 HA VAL A 59 2.021 3.931 1.942 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.044 2.734 3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.879 1.797 5.051 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.757 1.142 3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.969 2.390 3.776 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.098 4.089 5.546 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.154 4.776 4.289 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.405 5.100 4.256 1.00 0.00 H new ATOM 868 N LEU A 60 1.930 1.909 0.514 1.00 0.00 N ATOM 869 CA LEU A 60 1.924 0.717 -0.327 1.00 0.00 C ATOM 870 C LEU A 60 2.266 -0.527 0.487 1.00 0.00 C ATOM 871 O LEU A 60 3.358 -0.635 1.045 1.00 0.00 O ATOM 872 CB LEU A 60 2.918 0.876 -1.479 1.00 0.00 C ATOM 873 CG LEU A 60 3.394 -0.419 -2.138 1.00 0.00 C ATOM 874 CD1 LEU A 60 2.324 -0.967 -3.070 1.00 0.00 C ATOM 875 CD2 LEU A 60 4.694 -0.186 -2.894 1.00 0.00 C ATOM 0 H LEU A 60 2.771 2.481 0.429 1.00 0.00 H new ATOM 0 HA LEU A 60 0.921 0.596 -0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.460 1.502 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.791 1.413 -1.108 1.00 0.00 H new ATOM 0 HG LEU A 60 3.579 -1.156 -1.356 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.680 -1.889 -3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.417 -1.172 -2.502 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.108 -0.234 -3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.018 -1.118 -3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.536 0.567 -3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.461 0.161 -2.201 1.00 0.00 H new ATOM 887 N VAL A 61 1.327 -1.465 0.549 1.00 0.00 N ATOM 888 CA VAL A 61 1.530 -2.703 1.292 1.00 0.00 C ATOM 889 C VAL A 61 1.562 -3.906 0.357 1.00 0.00 C ATOM 890 O VAL A 61 0.622 -4.141 -0.403 1.00 0.00 O ATOM 891 CB VAL A 61 0.425 -2.914 2.345 1.00 0.00 C ATOM 892 CG1 VAL A 61 0.519 -4.308 2.946 1.00 0.00 C ATOM 893 CG2 VAL A 61 0.512 -1.850 3.428 1.00 0.00 C ATOM 0 H VAL A 61 0.417 -1.391 0.093 1.00 0.00 H new ATOM 0 HA VAL A 61 2.491 -2.614 1.798 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.544 -2.821 1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.269 -4.438 3.687 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.403 -5.052 2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.491 -4.434 3.424 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.276 -2.014 4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.484 -1.908 3.918 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.390 -0.864 2.980 1.00 0.00 H new ATOM 903 N VAL A 62 2.650 -4.667 0.418 1.00 0.00 N ATOM 904 CA VAL A 62 2.805 -5.849 -0.423 1.00 0.00 C ATOM 905 C VAL A 62 2.761 -7.125 0.410 1.00 0.00 C ATOM 906 O VAL A 62 3.109 -7.120 1.591 1.00 0.00 O ATOM 907 CB VAL A 62 4.127 -5.807 -1.211 1.00 0.00 C ATOM 908 CG1 VAL A 62 4.191 -6.955 -2.208 1.00 0.00 C ATOM 909 CG2 VAL A 62 4.286 -4.469 -1.915 1.00 0.00 C ATOM 0 H VAL A 62 3.437 -4.486 1.041 1.00 0.00 H new ATOM 0 HA VAL A 62 1.972 -5.850 -1.126 1.00 0.00 H new ATOM 0 HB VAL A 62 4.952 -5.921 -0.508 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.132 -6.909 -2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.127 -7.904 -1.675 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.359 -6.876 -2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.226 -4.458 -2.467 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.457 -4.321 -2.607 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.289 -3.667 -1.176 1.00 0.00 H new ATOM 919 N TRP A 63 2.334 -8.217 -0.213 1.00 0.00 N ATOM 920 CA TRP A 63 2.246 -9.502 0.471 1.00 0.00 C ATOM 921 C TRP A 63 3.448 -10.379 0.139 1.00 0.00 C ATOM 922 O TRP A 63 3.728 -10.648 -1.029 1.00 0.00 O ATOM 923 CB TRP A 63 0.952 -10.221 0.084 1.00 0.00 C ATOM 924 CG TRP A 63 0.895 -11.640 0.564 1.00 0.00 C ATOM 925 CD1 TRP A 63 1.102 -12.766 -0.180 1.00 0.00 C ATOM 926 CD2 TRP A 63 0.609 -12.083 1.896 1.00 0.00 C ATOM 927 NE1 TRP A 63 0.963 -13.883 0.609 1.00 0.00 N ATOM 928 CE2 TRP A 63 0.661 -13.490 1.886 1.00 0.00 C ATOM 929 CE3 TRP A 63 0.317 -11.427 3.095 1.00 0.00 C ATOM 930 CZ2 TRP A 63 0.431 -14.251 3.030 1.00 0.00 C ATOM 931 CZ3 TRP A 63 0.088 -12.183 4.228 1.00 0.00 C ATOM 932 CH2 TRP A 63 0.146 -13.583 4.190 1.00 0.00 C ATOM 0 H TRP A 63 2.043 -8.239 -1.190 1.00 0.00 H new ATOM 0 HA TRP A 63 2.242 -9.315 1.545 1.00 0.00 H new ATOM 0 HB2 TRP A 63 0.104 -9.672 0.493 1.00 0.00 H new ATOM 0 HB3 TRP A 63 0.848 -10.207 -1.001 1.00 0.00 H new ATOM 0 HD1 TRP A 63 1.340 -12.777 -1.233 1.00 0.00 H new ATOM 0 HE1 TRP A 63 1.068 -14.848 0.295 1.00 0.00 H new ATOM 0 HE3 TRP A 63 0.271 -10.349 3.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 0.476 -15.330 3.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -0.140 -11.687 5.160 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -0.038 -14.145 5.094 1.00 0.00 H new ATOM 943 N ASP A 64 4.155 -10.821 1.173 1.00 0.00 N ATOM 944 CA ASP A 64 5.328 -11.669 0.991 1.00 0.00 C ATOM 945 C ASP A 64 4.983 -13.134 1.240 1.00 0.00 C ATOM 946 O ASP A 64 5.160 -13.643 2.347 1.00 0.00 O ATOM 947 CB ASP A 64 6.452 -11.230 1.930 1.00 0.00 C ATOM 948 CG ASP A 64 7.819 -11.662 1.437 1.00 0.00 C ATOM 949 OD1 ASP A 64 8.006 -11.752 0.205 1.00 0.00 O ATOM 950 OD2 ASP A 64 8.704 -11.908 2.284 1.00 0.00 O ATOM 0 H ASP A 64 3.937 -10.606 2.146 1.00 0.00 H new ATOM 0 HA ASP A 64 5.665 -11.564 -0.040 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.432 -10.145 2.034 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.278 -11.648 2.921 1.00 0.00 H new ATOM 955 N GLU A 65 4.488 -13.805 0.205 1.00 0.00 N ATOM 956 CA GLU A 65 4.117 -15.211 0.314 1.00 0.00 C ATOM 957 C GLU A 65 5.291 -16.046 0.817 1.00 0.00 C ATOM 958 O GLU A 65 5.102 -17.077 1.466 1.00 0.00 O ATOM 959 CB GLU A 65 3.643 -15.743 -1.041 1.00 0.00 C ATOM 960 CG GLU A 65 3.080 -17.153 -0.978 1.00 0.00 C ATOM 961 CD GLU A 65 1.586 -17.173 -0.719 1.00 0.00 C ATOM 962 OE1 GLU A 65 0.871 -16.335 -1.308 1.00 0.00 O ATOM 963 OE2 GLU A 65 1.131 -18.027 0.070 1.00 0.00 O ATOM 0 H GLU A 65 4.335 -13.398 -0.718 1.00 0.00 H new ATOM 0 HA GLU A 65 3.302 -15.290 1.033 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.880 -15.074 -1.438 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.478 -15.725 -1.741 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.289 -17.666 -1.917 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.589 -17.709 -0.191 1.00 0.00 H new ATOM 970 N THR A 66 6.504 -15.595 0.514 1.00 0.00 N ATOM 971 CA THR A 66 7.709 -16.300 0.934 1.00 0.00 C ATOM 972 C THR A 66 7.791 -16.392 2.453 1.00 0.00 C ATOM 973 O THR A 66 8.295 -17.374 2.998 1.00 0.00 O ATOM 974 CB THR A 66 8.978 -15.608 0.403 1.00 0.00 C ATOM 975 OG1 THR A 66 9.108 -14.308 0.988 1.00 0.00 O ATOM 976 CG2 THR A 66 8.934 -15.486 -1.113 1.00 0.00 C ATOM 0 H THR A 66 6.678 -14.744 -0.021 1.00 0.00 H new ATOM 0 HA THR A 66 7.650 -17.305 0.515 1.00 0.00 H new ATOM 0 HB THR A 66 9.839 -16.217 0.677 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.918 -13.875 0.646 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.841 -14.994 -1.465 1.00 0.00 H new ATOM 0 HG22 THR A 66 8.865 -16.479 -1.556 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.065 -14.897 -1.406 1.00 0.00 H new ATOM 984 N SER A 67 7.292 -15.364 3.131 1.00 0.00 N ATOM 985 CA SER A 67 7.312 -15.328 4.589 1.00 0.00 C ATOM 986 C SER A 67 5.899 -15.198 5.149 1.00 0.00 C ATOM 987 O SER A 67 5.710 -15.006 6.349 1.00 0.00 O ATOM 988 CB SER A 67 8.176 -14.164 5.079 1.00 0.00 C ATOM 989 OG SER A 67 9.549 -14.515 5.082 1.00 0.00 O ATOM 0 H SER A 67 6.869 -14.545 2.695 1.00 0.00 H new ATOM 0 HA SER A 67 7.740 -16.265 4.945 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.020 -13.296 4.438 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.869 -13.877 6.084 1.00 0.00 H new ATOM 0 HG SER A 67 10.080 -13.754 5.397 1.00 0.00 H new ATOM 995 N ASN A 68 4.908 -15.303 4.268 1.00 0.00 N ATOM 996 CA ASN A 68 3.511 -15.197 4.673 1.00 0.00 C ATOM 997 C ASN A 68 3.301 -13.996 5.591 1.00 0.00 C ATOM 998 O ASN A 68 2.700 -14.114 6.659 1.00 0.00 O ATOM 999 CB ASN A 68 3.065 -16.478 5.381 1.00 0.00 C ATOM 1000 CG ASN A 68 1.594 -16.452 5.750 1.00 0.00 C ATOM 1001 OD1 ASN A 68 0.729 -16.719 4.917 1.00 0.00 O ATOM 1002 ND2 ASN A 68 1.306 -16.129 7.006 1.00 0.00 N ATOM 0 H ASN A 68 5.047 -15.461 3.270 1.00 0.00 H new ATOM 0 HA ASN A 68 2.908 -15.057 3.776 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.260 -17.334 4.735 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.661 -16.618 6.283 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.334 -16.095 7.314 1.00 0.00 H new ATOM 0 HD22 ASN A 68 2.057 -15.915 7.663 1.00 0.00 H new ATOM 1009 N LYS A 69 3.799 -12.840 5.166 1.00 0.00 N ATOM 1010 CA LYS A 69 3.665 -11.616 5.947 1.00 0.00 C ATOM 1011 C LYS A 69 3.515 -10.402 5.035 1.00 0.00 C ATOM 1012 O LYS A 69 3.931 -10.429 3.876 1.00 0.00 O ATOM 1013 CB LYS A 69 4.878 -11.434 6.861 1.00 0.00 C ATOM 1014 CG LYS A 69 6.188 -11.272 6.108 1.00 0.00 C ATOM 1015 CD LYS A 69 7.310 -10.825 7.030 1.00 0.00 C ATOM 1016 CE LYS A 69 7.318 -9.314 7.206 1.00 0.00 C ATOM 1017 NZ LYS A 69 8.468 -8.859 8.034 1.00 0.00 N ATOM 0 H LYS A 69 4.299 -12.725 4.285 1.00 0.00 H new ATOM 0 HA LYS A 69 2.767 -11.702 6.559 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.720 -10.558 7.491 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.954 -12.295 7.525 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.458 -12.218 5.638 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.061 -10.543 5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 69 7.197 -11.305 8.002 1.00 0.00 H new ATOM 0 HD3 LYS A 69 8.268 -11.150 6.624 1.00 0.00 H new ATOM 0 HE2 LYS A 69 7.362 -8.835 6.228 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.386 -8.998 7.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.124 -8.239 8.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.945 -9.685 8.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.139 -8.335 7.437 1.00 0.00 H new ATOM 1031 N VAL A 70 2.920 -9.339 5.565 1.00 0.00 N ATOM 1032 CA VAL A 70 2.718 -8.115 4.799 1.00 0.00 C ATOM 1033 C VAL A 70 3.800 -7.087 5.110 1.00 0.00 C ATOM 1034 O VAL A 70 4.468 -7.166 6.142 1.00 0.00 O ATOM 1035 CB VAL A 70 1.338 -7.493 5.087 1.00 0.00 C ATOM 1036 CG1 VAL A 70 0.230 -8.492 4.789 1.00 0.00 C ATOM 1037 CG2 VAL A 70 1.261 -7.013 6.528 1.00 0.00 C ATOM 0 H VAL A 70 2.569 -9.300 6.522 1.00 0.00 H new ATOM 0 HA VAL A 70 2.772 -8.389 3.745 1.00 0.00 H new ATOM 0 HB VAL A 70 1.203 -6.631 4.433 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.737 -8.035 4.998 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.275 -8.783 3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.358 -9.375 5.416 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.280 -6.577 6.714 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.417 -7.856 7.201 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.031 -6.262 6.703 1.00 0.00 H new ATOM 1047 N ARG A 71 3.969 -6.123 4.211 1.00 0.00 N ATOM 1048 CA ARG A 71 4.971 -5.079 4.389 1.00 0.00 C ATOM 1049 C ARG A 71 4.333 -3.695 4.320 1.00 0.00 C ATOM 1050 O ARG A 71 3.131 -3.565 4.090 1.00 0.00 O ATOM 1051 CB ARG A 71 6.062 -5.203 3.324 1.00 0.00 C ATOM 1052 CG ARG A 71 6.784 -6.541 3.345 1.00 0.00 C ATOM 1053 CD ARG A 71 7.869 -6.571 4.411 1.00 0.00 C ATOM 1054 NE ARG A 71 7.316 -6.464 5.758 1.00 0.00 N ATOM 1055 CZ ARG A 71 8.000 -6.001 6.799 1.00 0.00 C ATOM 1056 NH1 ARG A 71 9.256 -5.605 6.648 1.00 0.00 N ATOM 1057 NH2 ARG A 71 7.427 -5.934 7.994 1.00 0.00 N ATOM 0 H ARG A 71 3.425 -6.043 3.352 1.00 0.00 H new ATOM 0 HA ARG A 71 5.419 -5.205 5.375 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.616 -5.056 2.340 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.790 -4.404 3.467 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.067 -7.340 3.532 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.227 -6.732 2.368 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.436 -7.498 4.325 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.568 -5.752 4.240 1.00 0.00 H new ATOM 0 HE ARG A 71 6.352 -6.761 5.908 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.700 -5.655 5.731 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.779 -5.250 7.449 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.461 -6.238 8.114 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.953 -5.579 8.792 1.00 0.00 H new ATOM 1071 N ASN A 72 5.147 -2.663 4.521 1.00 0.00 N ATOM 1072 CA ASN A 72 4.661 -1.288 4.482 1.00 0.00 C ATOM 1073 C ASN A 72 5.621 -0.394 3.703 1.00 0.00 C ATOM 1074 O ASN A 72 6.826 -0.390 3.956 1.00 0.00 O ATOM 1075 CB ASN A 72 4.483 -0.748 5.902 1.00 0.00 C ATOM 1076 CG ASN A 72 3.279 -1.348 6.602 1.00 0.00 C ATOM 1077 OD1 ASN A 72 3.341 -2.646 6.878 1.00 0.00 O flip ATOM 1078 ND2 ASN A 72 2.305 -0.653 6.892 1.00 0.00 N flip ATOM 0 H ASN A 72 6.145 -2.753 4.712 1.00 0.00 H new ATOM 0 HA ASN A 72 3.696 -1.284 3.975 1.00 0.00 H new ATOM 0 HB2 ASN A 72 5.380 -0.959 6.483 1.00 0.00 H new ATOM 0 HB3 ASN A 72 4.375 0.336 5.865 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.300 0.340 6.661 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.503 -1.071 7.363 1.00 0.00 H new ATOM 1085 N TYR A 73 5.079 0.362 2.755 1.00 0.00 N ATOM 1086 CA TYR A 73 5.886 1.259 1.937 1.00 0.00 C ATOM 1087 C TYR A 73 5.252 2.644 1.858 1.00 0.00 C ATOM 1088 O TYR A 73 4.404 2.903 1.005 1.00 0.00 O ATOM 1089 CB TYR A 73 6.058 0.684 0.530 1.00 0.00 C ATOM 1090 CG TYR A 73 6.875 -0.588 0.491 1.00 0.00 C ATOM 1091 CD1 TYR A 73 6.289 -1.821 0.750 1.00 0.00 C ATOM 1092 CD2 TYR A 73 8.232 -0.557 0.197 1.00 0.00 C ATOM 1093 CE1 TYR A 73 7.030 -2.986 0.717 1.00 0.00 C ATOM 1094 CE2 TYR A 73 8.982 -1.717 0.160 1.00 0.00 C ATOM 1095 CZ TYR A 73 8.376 -2.929 0.420 1.00 0.00 C ATOM 1096 OH TYR A 73 9.120 -4.087 0.386 1.00 0.00 O ATOM 0 H TYR A 73 4.083 0.371 2.534 1.00 0.00 H new ATOM 0 HA TYR A 73 6.865 1.354 2.406 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.074 0.487 0.104 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.535 1.432 -0.103 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.235 -1.869 0.981 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.709 0.390 -0.006 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.559 -3.936 0.922 1.00 0.00 H new ATOM 0 HE2 TYR A 73 10.036 -1.675 -0.071 1.00 0.00 H new ATOM 0 HH TYR A 73 10.073 -3.865 0.435 1.00 0.00 H new ATOM 1106 N ARG A 74 5.671 3.531 2.755 1.00 0.00 N ATOM 1107 CA ARG A 74 5.144 4.890 2.789 1.00 0.00 C ATOM 1108 C ARG A 74 5.279 5.559 1.424 1.00 0.00 C ATOM 1109 O ARG A 74 6.354 5.557 0.824 1.00 0.00 O ATOM 1110 CB ARG A 74 5.875 5.717 3.849 1.00 0.00 C ATOM 1111 CG ARG A 74 5.338 7.131 3.995 1.00 0.00 C ATOM 1112 CD ARG A 74 5.712 7.732 5.341 1.00 0.00 C ATOM 1113 NE ARG A 74 5.253 9.113 5.470 1.00 0.00 N ATOM 1114 CZ ARG A 74 5.640 9.928 6.445 1.00 0.00 C ATOM 1115 NH1 ARG A 74 6.490 9.503 7.370 1.00 0.00 N ATOM 1116 NH2 ARG A 74 5.179 11.171 6.495 1.00 0.00 N ATOM 0 H ARG A 74 6.374 3.333 3.467 1.00 0.00 H new ATOM 0 HA ARG A 74 4.086 4.837 3.046 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.800 5.208 4.810 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.934 5.764 3.595 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.733 7.756 3.194 1.00 0.00 H new ATOM 0 HG3 ARG A 74 4.253 7.122 3.888 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.279 7.130 6.140 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.794 7.696 5.466 1.00 0.00 H new ATOM 0 HE ARG A 74 4.600 9.471 4.773 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.848 8.549 7.334 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.786 10.131 8.118 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.527 11.502 5.784 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.477 11.796 7.244 1.00 0.00 H new ATOM 1130 N ILE A 75 4.181 6.131 0.941 1.00 0.00 N ATOM 1131 CA ILE A 75 4.178 6.804 -0.352 1.00 0.00 C ATOM 1132 C ILE A 75 4.269 8.317 -0.185 1.00 0.00 C ATOM 1133 O ILE A 75 3.252 9.005 -0.095 1.00 0.00 O ATOM 1134 CB ILE A 75 2.911 6.464 -1.160 1.00 0.00 C ATOM 1135 CG1 ILE A 75 2.828 4.957 -1.410 1.00 0.00 C ATOM 1136 CG2 ILE A 75 2.902 7.227 -2.477 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.435 4.477 -1.752 1.00 0.00 C ATOM 0 H ILE A 75 3.283 6.142 1.425 1.00 0.00 H new ATOM 0 HA ILE A 75 5.053 6.448 -0.895 1.00 0.00 H new ATOM 0 HB ILE A 75 2.037 6.766 -0.582 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.504 4.694 -2.224 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.177 4.430 -0.522 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.001 6.976 -3.037 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.919 8.298 -2.277 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.780 6.953 -3.062 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.452 3.400 -1.916 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.758 4.708 -0.929 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.090 4.977 -2.657 1.00 0.00 H new ATOM 1149 N PHE A 76 5.495 8.829 -0.145 1.00 0.00 N ATOM 1150 CA PHE A 76 5.720 10.261 0.011 1.00 0.00 C ATOM 1151 C PHE A 76 5.309 11.017 -1.249 1.00 0.00 C ATOM 1152 O PHE A 76 4.993 10.411 -2.272 1.00 0.00 O ATOM 1153 CB PHE A 76 7.192 10.536 0.327 1.00 0.00 C ATOM 1154 CG PHE A 76 7.680 9.837 1.564 1.00 0.00 C ATOM 1155 CD1 PHE A 76 7.403 10.350 2.821 1.00 0.00 C ATOM 1156 CD2 PHE A 76 8.417 8.667 1.469 1.00 0.00 C ATOM 1157 CE1 PHE A 76 7.851 9.709 3.961 1.00 0.00 C ATOM 1158 CE2 PHE A 76 8.866 8.021 2.605 1.00 0.00 C ATOM 1159 CZ PHE A 76 8.584 8.544 3.853 1.00 0.00 C ATOM 0 H PHE A 76 6.347 8.274 -0.218 1.00 0.00 H new ATOM 0 HA PHE A 76 5.106 10.612 0.840 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.802 10.225 -0.521 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.335 11.610 0.446 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.830 11.261 2.911 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.643 8.256 0.496 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.628 10.119 4.935 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.437 7.108 2.518 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.936 8.042 4.742 1.00 0.00 H new ATOM 1169 N GLU A 77 5.317 12.344 -1.165 1.00 0.00 N ATOM 1170 CA GLU A 77 4.943 13.182 -2.298 1.00 0.00 C ATOM 1171 C GLU A 77 5.935 14.328 -2.478 1.00 0.00 C ATOM 1172 O GLU A 77 5.847 15.352 -1.800 1.00 0.00 O ATOM 1173 CB GLU A 77 3.532 13.740 -2.105 1.00 0.00 C ATOM 1174 CG GLU A 77 2.941 14.350 -3.365 1.00 0.00 C ATOM 1175 CD GLU A 77 1.800 15.304 -3.072 1.00 0.00 C ATOM 1176 OE1 GLU A 77 0.774 14.851 -2.522 1.00 0.00 O ATOM 1177 OE2 GLU A 77 1.932 16.504 -3.391 1.00 0.00 O ATOM 0 H GLU A 77 5.578 12.861 -0.325 1.00 0.00 H new ATOM 0 HA GLU A 77 4.961 12.564 -3.196 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.878 12.940 -1.758 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.554 14.497 -1.321 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.723 14.881 -3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.585 13.553 -4.017 1.00 0.00 H new ATOM 1184 N LYS A 78 6.880 14.147 -3.394 1.00 0.00 N ATOM 1185 CA LYS A 78 7.889 15.164 -3.665 1.00 0.00 C ATOM 1186 C LYS A 78 7.955 15.482 -5.155 1.00 0.00 C ATOM 1187 O LYS A 78 7.844 14.589 -5.996 1.00 0.00 O ATOM 1188 CB LYS A 78 9.260 14.696 -3.171 1.00 0.00 C ATOM 1189 CG LYS A 78 10.418 15.486 -3.754 1.00 0.00 C ATOM 1190 CD LYS A 78 11.757 14.933 -3.296 1.00 0.00 C ATOM 1191 CE LYS A 78 12.130 15.448 -1.914 1.00 0.00 C ATOM 1192 NZ LYS A 78 13.397 14.842 -1.420 1.00 0.00 N ATOM 0 H LYS A 78 6.968 13.304 -3.962 1.00 0.00 H new ATOM 0 HA LYS A 78 7.607 16.071 -3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.290 14.771 -2.084 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.387 13.643 -3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.366 15.460 -4.842 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.334 16.531 -3.456 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.716 13.844 -3.281 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.531 15.213 -4.011 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.235 16.532 -1.947 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.324 15.226 -1.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.617 15.218 -0.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.289 13.809 -1.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.171 15.075 -2.074 1.00 0.00 H new ATOM 1206 N ASP A 79 8.137 16.758 -5.476 1.00 0.00 N ATOM 1207 CA ASP A 79 8.220 17.194 -6.865 1.00 0.00 C ATOM 1208 C ASP A 79 7.077 16.608 -7.687 1.00 0.00 C ATOM 1209 O ASP A 79 7.223 16.359 -8.884 1.00 0.00 O ATOM 1210 CB ASP A 79 9.563 16.782 -7.471 1.00 0.00 C ATOM 1211 CG ASP A 79 9.919 17.598 -8.698 1.00 0.00 C ATOM 1212 OD1 ASP A 79 9.689 18.826 -8.681 1.00 0.00 O ATOM 1213 OD2 ASP A 79 10.426 17.010 -9.676 1.00 0.00 O ATOM 0 H ASP A 79 8.230 17.509 -4.792 1.00 0.00 H new ATOM 0 HA ASP A 79 8.139 18.281 -6.885 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.347 16.897 -6.722 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.529 15.726 -7.738 1.00 0.00 H new ATOM 1218 N SER A 80 5.938 16.390 -7.037 1.00 0.00 N ATOM 1219 CA SER A 80 4.771 15.829 -7.707 1.00 0.00 C ATOM 1220 C SER A 80 5.070 14.432 -8.242 1.00 0.00 C ATOM 1221 O SER A 80 4.601 14.051 -9.315 1.00 0.00 O ATOM 1222 CB SER A 80 4.326 16.741 -8.852 1.00 0.00 C ATOM 1223 OG SER A 80 3.789 17.956 -8.358 1.00 0.00 O ATOM 0 H SER A 80 5.799 16.593 -6.047 1.00 0.00 H new ATOM 0 HA SER A 80 3.965 15.755 -6.977 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.174 16.953 -9.503 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.579 16.230 -9.459 1.00 0.00 H new ATOM 0 HG SER A 80 3.514 18.522 -9.110 1.00 0.00 H new ATOM 1229 N LYS A 81 5.855 13.672 -7.486 1.00 0.00 N ATOM 1230 CA LYS A 81 6.218 12.316 -7.880 1.00 0.00 C ATOM 1231 C LYS A 81 6.283 11.395 -6.666 1.00 0.00 C ATOM 1232 O LYS A 81 7.099 11.596 -5.765 1.00 0.00 O ATOM 1233 CB LYS A 81 7.565 12.317 -8.606 1.00 0.00 C ATOM 1234 CG LYS A 81 7.638 13.312 -9.751 1.00 0.00 C ATOM 1235 CD LYS A 81 8.569 12.830 -10.850 1.00 0.00 C ATOM 1236 CE LYS A 81 8.820 13.916 -11.885 1.00 0.00 C ATOM 1237 NZ LYS A 81 9.194 13.346 -13.209 1.00 0.00 N ATOM 0 H LYS A 81 6.252 13.973 -6.596 1.00 0.00 H new ATOM 0 HA LYS A 81 5.448 11.943 -8.556 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.354 12.542 -7.889 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.761 11.317 -8.992 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.641 13.470 -10.161 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.984 14.275 -9.376 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.517 12.516 -10.413 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.137 11.955 -11.336 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.925 14.528 -11.993 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.616 14.574 -11.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.406 14.119 -13.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.033 12.741 -13.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.404 12.779 -13.579 1.00 0.00 H new ATOM 1251 N PHE A 82 5.420 10.384 -6.648 1.00 0.00 N ATOM 1252 CA PHE A 82 5.381 9.432 -5.544 1.00 0.00 C ATOM 1253 C PHE A 82 6.705 8.683 -5.425 1.00 0.00 C ATOM 1254 O PHE A 82 7.178 8.078 -6.387 1.00 0.00 O ATOM 1255 CB PHE A 82 4.235 8.437 -5.742 1.00 0.00 C ATOM 1256 CG PHE A 82 2.957 9.079 -6.199 1.00 0.00 C ATOM 1257 CD1 PHE A 82 2.263 9.943 -5.367 1.00 0.00 C ATOM 1258 CD2 PHE A 82 2.448 8.818 -7.461 1.00 0.00 C ATOM 1259 CE1 PHE A 82 1.086 10.534 -5.786 1.00 0.00 C ATOM 1260 CE2 PHE A 82 1.272 9.406 -7.886 1.00 0.00 C ATOM 1261 CZ PHE A 82 0.590 10.266 -7.047 1.00 0.00 C ATOM 0 H PHE A 82 4.739 10.203 -7.385 1.00 0.00 H new ATOM 0 HA PHE A 82 5.215 9.989 -4.622 1.00 0.00 H new ATOM 0 HB2 PHE A 82 4.537 7.687 -6.473 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.054 7.912 -4.804 1.00 0.00 H new ATOM 0 HD1 PHE A 82 2.646 10.157 -4.380 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.977 8.146 -8.121 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.554 11.205 -5.128 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.887 9.194 -8.872 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.329 10.728 -7.376 1.00 0.00 H new ATOM 1271 N TYR A 83 7.298 8.729 -4.237 1.00 0.00 N ATOM 1272 CA TYR A 83 8.569 8.058 -3.991 1.00 0.00 C ATOM 1273 C TYR A 83 8.536 7.296 -2.670 1.00 0.00 C ATOM 1274 O TYR A 83 7.823 7.673 -1.739 1.00 0.00 O ATOM 1275 CB TYR A 83 9.712 9.074 -3.978 1.00 0.00 C ATOM 1276 CG TYR A 83 9.750 9.928 -2.731 1.00 0.00 C ATOM 1277 CD1 TYR A 83 10.379 9.478 -1.577 1.00 0.00 C ATOM 1278 CD2 TYR A 83 9.156 11.183 -2.706 1.00 0.00 C ATOM 1279 CE1 TYR A 83 10.415 10.254 -0.434 1.00 0.00 C ATOM 1280 CE2 TYR A 83 9.188 11.967 -1.569 1.00 0.00 C ATOM 1281 CZ TYR A 83 9.819 11.498 -0.436 1.00 0.00 C ATOM 1282 OH TYR A 83 9.852 12.275 0.700 1.00 0.00 O ATOM 0 H TYR A 83 6.919 9.224 -3.430 1.00 0.00 H new ATOM 0 HA TYR A 83 8.736 7.344 -4.797 1.00 0.00 H new ATOM 0 HB2 TYR A 83 10.659 8.543 -4.074 1.00 0.00 H new ATOM 0 HB3 TYR A 83 9.620 9.722 -4.849 1.00 0.00 H new ATOM 0 HD1 TYR A 83 10.848 8.505 -1.573 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.660 11.553 -3.591 1.00 0.00 H new ATOM 0 HE1 TYR A 83 10.907 9.889 0.455 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.722 12.941 -1.567 1.00 0.00 H new ATOM 0 HH TYR A 83 9.269 11.882 1.382 1.00 0.00 H new ATOM 1292 N LEU A 84 9.314 6.221 -2.595 1.00 0.00 N ATOM 1293 CA LEU A 84 9.376 5.405 -1.387 1.00 0.00 C ATOM 1294 C LEU A 84 10.774 5.438 -0.779 1.00 0.00 C ATOM 1295 O LEU A 84 10.938 5.281 0.431 1.00 0.00 O ATOM 1296 CB LEU A 84 8.979 3.962 -1.703 1.00 0.00 C ATOM 1297 CG LEU A 84 7.769 3.784 -2.620 1.00 0.00 C ATOM 1298 CD1 LEU A 84 7.485 2.307 -2.850 1.00 0.00 C ATOM 1299 CD2 LEU A 84 6.548 4.478 -2.034 1.00 0.00 C ATOM 0 H LEU A 84 9.910 5.895 -3.356 1.00 0.00 H new ATOM 0 HA LEU A 84 8.675 5.818 -0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 84 9.833 3.463 -2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.776 3.448 -0.763 1.00 0.00 H new ATOM 0 HG LEU A 84 7.997 4.243 -3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.620 2.200 -3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.352 1.838 -3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.279 1.823 -1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.697 4.341 -2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.319 4.049 -1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.753 5.543 -1.922 1.00 0.00 H new ATOM 1311 N GLU A 85 11.778 5.646 -1.625 1.00 0.00 N ATOM 1312 CA GLU A 85 13.162 5.701 -1.169 1.00 0.00 C ATOM 1313 C GLU A 85 13.645 7.146 -1.072 1.00 0.00 C ATOM 1314 O GLU A 85 14.469 7.480 -0.222 1.00 0.00 O ATOM 1315 CB GLU A 85 14.066 4.912 -2.118 1.00 0.00 C ATOM 1316 CG GLU A 85 13.982 5.372 -3.563 1.00 0.00 C ATOM 1317 CD GLU A 85 12.795 4.777 -4.296 1.00 0.00 C ATOM 1318 OE1 GLU A 85 12.899 3.621 -4.755 1.00 0.00 O ATOM 1319 OE2 GLU A 85 11.762 5.470 -4.410 1.00 0.00 O ATOM 0 H GLU A 85 11.659 5.779 -2.629 1.00 0.00 H new ATOM 0 HA GLU A 85 13.210 5.252 -0.177 1.00 0.00 H new ATOM 0 HB2 GLU A 85 15.098 4.998 -1.778 1.00 0.00 H new ATOM 0 HB3 GLU A 85 13.800 3.856 -2.066 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.914 6.460 -3.591 1.00 0.00 H new ATOM 0 HG3 GLU A 85 14.900 5.097 -4.082 1.00 0.00 H new ATOM 1326 N GLY A 86 13.126 7.998 -1.952 1.00 0.00 N ATOM 1327 CA GLY A 86 13.517 9.395 -1.949 1.00 0.00 C ATOM 1328 C GLY A 86 13.990 9.868 -3.310 1.00 0.00 C ATOM 1329 O GLY A 86 13.184 10.066 -4.219 1.00 0.00 O ATOM 0 H GLY A 86 12.443 7.745 -2.666 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.672 10.005 -1.629 1.00 0.00 H new ATOM 0 HA3 GLY A 86 14.312 9.545 -1.219 1.00 0.00 H new ATOM 1333 N GLU A 87 15.299 10.050 -3.449 1.00 0.00 N ATOM 1334 CA GLU A 87 15.877 10.504 -4.708 1.00 0.00 C ATOM 1335 C GLU A 87 15.136 9.898 -5.897 1.00 0.00 C ATOM 1336 O GLU A 87 14.936 10.555 -6.919 1.00 0.00 O ATOM 1337 CB GLU A 87 17.360 10.137 -4.777 1.00 0.00 C ATOM 1338 CG GLU A 87 17.620 8.641 -4.718 1.00 0.00 C ATOM 1339 CD GLU A 87 17.541 8.090 -3.307 1.00 0.00 C ATOM 1340 OE1 GLU A 87 18.402 8.455 -2.478 1.00 0.00 O ATOM 1341 OE2 GLU A 87 16.619 7.295 -3.032 1.00 0.00 O ATOM 0 H GLU A 87 15.979 9.890 -2.706 1.00 0.00 H new ATOM 0 HA GLU A 87 15.777 11.588 -4.753 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.781 10.534 -5.700 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.884 10.621 -3.953 1.00 0.00 H new ATOM 0 HG2 GLU A 87 16.894 8.125 -5.347 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.606 8.431 -5.131 1.00 0.00 H new ATOM 1348 N VAL A 88 14.731 8.640 -5.755 1.00 0.00 N ATOM 1349 CA VAL A 88 14.012 7.945 -6.816 1.00 0.00 C ATOM 1350 C VAL A 88 12.505 8.117 -6.663 1.00 0.00 C ATOM 1351 O VAL A 88 11.886 7.518 -5.782 1.00 0.00 O ATOM 1352 CB VAL A 88 14.346 6.441 -6.828 1.00 0.00 C ATOM 1353 CG1 VAL A 88 13.594 5.736 -7.946 1.00 0.00 C ATOM 1354 CG2 VAL A 88 15.847 6.231 -6.968 1.00 0.00 C ATOM 0 H VAL A 88 14.888 8.082 -4.916 1.00 0.00 H new ATOM 0 HA VAL A 88 14.332 8.389 -7.758 1.00 0.00 H new ATOM 0 HB VAL A 88 14.028 6.008 -5.880 1.00 0.00 H new ATOM 0 HG11 VAL A 88 13.843 4.675 -7.939 1.00 0.00 H new ATOM 0 HG12 VAL A 88 12.521 5.859 -7.797 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.878 6.169 -8.905 1.00 0.00 H new ATOM 0 HG21 VAL A 88 16.066 5.163 -6.975 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.192 6.678 -7.901 1.00 0.00 H new ATOM 0 HG23 VAL A 88 16.360 6.701 -6.129 1.00 0.00 H new ATOM 1364 N LEU A 89 11.919 8.940 -7.526 1.00 0.00 N ATOM 1365 CA LEU A 89 10.482 9.192 -7.487 1.00 0.00 C ATOM 1366 C LEU A 89 9.816 8.745 -8.785 1.00 0.00 C ATOM 1367 O LEU A 89 10.481 8.261 -9.702 1.00 0.00 O ATOM 1368 CB LEU A 89 10.211 10.678 -7.247 1.00 0.00 C ATOM 1369 CG LEU A 89 11.190 11.397 -6.318 1.00 0.00 C ATOM 1370 CD1 LEU A 89 12.335 12.003 -7.115 1.00 0.00 C ATOM 1371 CD2 LEU A 89 10.471 12.470 -5.513 1.00 0.00 C ATOM 0 H LEU A 89 12.416 9.444 -8.261 1.00 0.00 H new ATOM 0 HA LEU A 89 10.059 8.615 -6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.214 11.188 -8.210 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.207 10.782 -6.835 1.00 0.00 H new ATOM 0 HG LEU A 89 11.605 10.667 -5.623 1.00 0.00 H new ATOM 0 HD11 LEU A 89 13.021 12.510 -6.437 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.867 11.213 -7.646 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.938 12.720 -7.834 1.00 0.00 H new ATOM 0 HD21 LEU A 89 11.183 12.971 -4.857 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.028 13.198 -6.192 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.687 12.010 -4.912 1.00 0.00 H new ATOM 1383 N PHE A 90 8.500 8.913 -8.857 1.00 0.00 N ATOM 1384 CA PHE A 90 7.744 8.528 -10.043 1.00 0.00 C ATOM 1385 C PHE A 90 6.579 9.485 -10.279 1.00 0.00 C ATOM 1386 O PHE A 90 5.680 9.603 -9.446 1.00 0.00 O ATOM 1387 CB PHE A 90 7.223 7.097 -9.900 1.00 0.00 C ATOM 1388 CG PHE A 90 8.313 6.074 -9.749 1.00 0.00 C ATOM 1389 CD1 PHE A 90 8.901 5.500 -10.865 1.00 0.00 C ATOM 1390 CD2 PHE A 90 8.749 5.687 -8.493 1.00 0.00 C ATOM 1391 CE1 PHE A 90 9.904 4.559 -10.730 1.00 0.00 C ATOM 1392 CE2 PHE A 90 9.752 4.747 -8.352 1.00 0.00 C ATOM 1393 CZ PHE A 90 10.329 4.181 -9.472 1.00 0.00 C ATOM 0 H PHE A 90 7.935 9.313 -8.108 1.00 0.00 H new ATOM 0 HA PHE A 90 8.413 8.579 -10.902 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.563 7.044 -9.034 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.621 6.849 -10.774 1.00 0.00 H new ATOM 0 HD1 PHE A 90 8.572 5.791 -11.851 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.300 6.125 -7.614 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.355 4.120 -11.608 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.084 4.455 -7.367 1.00 0.00 H new ATOM 0 HZ PHE A 90 11.111 3.444 -9.364 1.00 0.00 H new ATOM 1403 N VAL A 91 6.602 10.166 -11.420 1.00 0.00 N ATOM 1404 CA VAL A 91 5.548 11.112 -11.767 1.00 0.00 C ATOM 1405 C VAL A 91 4.174 10.562 -11.403 1.00 0.00 C ATOM 1406 O VAL A 91 3.240 11.319 -11.139 1.00 0.00 O ATOM 1407 CB VAL A 91 5.571 11.452 -13.269 1.00 0.00 C ATOM 1408 CG1 VAL A 91 4.946 10.327 -14.081 1.00 0.00 C ATOM 1409 CG2 VAL A 91 4.856 12.769 -13.528 1.00 0.00 C ATOM 0 H VAL A 91 7.339 10.080 -12.120 1.00 0.00 H new ATOM 0 HA VAL A 91 5.736 12.020 -11.194 1.00 0.00 H new ATOM 0 HB VAL A 91 6.609 11.561 -13.583 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.971 10.585 -15.140 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.506 9.406 -13.919 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.912 10.183 -13.767 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.882 12.994 -14.594 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.820 12.691 -13.199 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.353 13.567 -12.977 1.00 0.00 H new ATOM 1419 N SER A 92 4.057 9.238 -11.390 1.00 0.00 N ATOM 1420 CA SER A 92 2.795 8.585 -11.061 1.00 0.00 C ATOM 1421 C SER A 92 3.032 7.157 -10.577 1.00 0.00 C ATOM 1422 O SER A 92 3.976 6.493 -11.004 1.00 0.00 O ATOM 1423 CB SER A 92 1.869 8.575 -12.278 1.00 0.00 C ATOM 1424 OG SER A 92 1.633 9.890 -12.750 1.00 0.00 O ATOM 0 H SER A 92 4.821 8.596 -11.603 1.00 0.00 H new ATOM 0 HA SER A 92 2.321 9.149 -10.257 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.313 7.975 -13.072 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.922 8.104 -12.014 1.00 0.00 H new ATOM 0 HG SER A 92 1.839 10.534 -12.041 1.00 0.00 H new ATOM 1430 N VAL A 93 2.168 6.692 -9.681 1.00 0.00 N ATOM 1431 CA VAL A 93 2.281 5.343 -9.138 1.00 0.00 C ATOM 1432 C VAL A 93 2.488 4.320 -10.248 1.00 0.00 C ATOM 1433 O VAL A 93 3.310 3.413 -10.126 1.00 0.00 O ATOM 1434 CB VAL A 93 1.030 4.958 -8.326 1.00 0.00 C ATOM 1435 CG1 VAL A 93 1.158 3.541 -7.788 1.00 0.00 C ATOM 1436 CG2 VAL A 93 0.804 5.949 -7.194 1.00 0.00 C ATOM 0 H VAL A 93 1.382 7.229 -9.315 1.00 0.00 H new ATOM 0 HA VAL A 93 3.148 5.339 -8.478 1.00 0.00 H new ATOM 0 HB VAL A 93 0.164 4.993 -8.987 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.265 3.287 -7.217 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.268 2.845 -8.619 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.033 3.475 -7.141 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.084 5.662 -6.631 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.670 5.949 -6.532 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.664 6.948 -7.607 1.00 0.00 H new ATOM 1446 N GLY A 94 1.735 4.472 -11.334 1.00 0.00 N ATOM 1447 CA GLY A 94 1.850 3.553 -12.451 1.00 0.00 C ATOM 1448 C GLY A 94 3.293 3.258 -12.812 1.00 0.00 C ATOM 1449 O GLY A 94 3.736 2.111 -12.739 1.00 0.00 O ATOM 0 H GLY A 94 1.048 5.215 -11.460 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.342 2.621 -12.204 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.340 3.974 -13.318 1.00 0.00 H new ATOM 1453 N SER A 95 4.027 4.294 -13.204 1.00 0.00 N ATOM 1454 CA SER A 95 5.427 4.139 -13.583 1.00 0.00 C ATOM 1455 C SER A 95 6.217 3.453 -12.473 1.00 0.00 C ATOM 1456 O SER A 95 7.004 2.542 -12.729 1.00 0.00 O ATOM 1457 CB SER A 95 6.046 5.502 -13.898 1.00 0.00 C ATOM 1458 OG SER A 95 5.885 5.831 -15.266 1.00 0.00 O ATOM 0 H SER A 95 3.676 5.250 -13.268 1.00 0.00 H new ATOM 0 HA SER A 95 5.470 3.514 -14.475 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.580 6.268 -13.279 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.106 5.490 -13.646 1.00 0.00 H new ATOM 0 HG SER A 95 6.287 6.707 -15.441 1.00 0.00 H new ATOM 1464 N MET A 96 6.001 3.897 -11.239 1.00 0.00 N ATOM 1465 CA MET A 96 6.692 3.326 -10.089 1.00 0.00 C ATOM 1466 C MET A 96 6.560 1.806 -10.076 1.00 0.00 C ATOM 1467 O MET A 96 7.555 1.088 -9.977 1.00 0.00 O ATOM 1468 CB MET A 96 6.134 3.910 -8.790 1.00 0.00 C ATOM 1469 CG MET A 96 6.830 3.390 -7.542 1.00 0.00 C ATOM 1470 SD MET A 96 6.373 4.309 -6.059 1.00 0.00 S ATOM 1471 CE MET A 96 4.663 3.812 -5.868 1.00 0.00 C ATOM 0 H MET A 96 5.353 4.651 -11.010 1.00 0.00 H new ATOM 0 HA MET A 96 7.749 3.581 -10.168 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.225 4.996 -8.821 1.00 0.00 H new ATOM 0 HB3 MET A 96 5.070 3.681 -8.725 1.00 0.00 H new ATOM 0 HG2 MET A 96 6.582 2.338 -7.404 1.00 0.00 H new ATOM 0 HG3 MET A 96 7.909 3.447 -7.682 1.00 0.00 H new ATOM 0 HE1 MET A 96 4.386 3.858 -4.815 1.00 0.00 H new ATOM 0 HE2 MET A 96 4.023 4.483 -6.441 1.00 0.00 H new ATOM 0 HE3 MET A 96 4.538 2.792 -6.232 1.00 0.00 H new ATOM 1481 N VAL A 97 5.326 1.323 -10.175 1.00 0.00 N ATOM 1482 CA VAL A 97 5.064 -0.111 -10.175 1.00 0.00 C ATOM 1483 C VAL A 97 5.887 -0.820 -11.245 1.00 0.00 C ATOM 1484 O VAL A 97 6.535 -1.831 -10.974 1.00 0.00 O ATOM 1485 CB VAL A 97 3.571 -0.409 -10.410 1.00 0.00 C ATOM 1486 CG1 VAL A 97 3.302 -1.903 -10.308 1.00 0.00 C ATOM 1487 CG2 VAL A 97 2.712 0.365 -9.422 1.00 0.00 C ATOM 0 H VAL A 97 4.492 1.904 -10.256 1.00 0.00 H new ATOM 0 HA VAL A 97 5.351 -0.485 -9.192 1.00 0.00 H new ATOM 0 HB VAL A 97 3.307 -0.085 -11.417 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.242 -2.094 -10.477 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.890 -2.431 -11.059 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.581 -2.256 -9.315 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.660 0.143 -9.602 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.975 0.074 -8.405 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.884 1.434 -9.550 1.00 0.00 H new ATOM 1497 N GLU A 98 5.857 -0.282 -12.460 1.00 0.00 N ATOM 1498 CA GLU A 98 6.601 -0.865 -13.571 1.00 0.00 C ATOM 1499 C GLU A 98 8.094 -0.912 -13.261 1.00 0.00 C ATOM 1500 O GLU A 98 8.801 -1.824 -13.691 1.00 0.00 O ATOM 1501 CB GLU A 98 6.360 -0.062 -14.852 1.00 0.00 C ATOM 1502 CG GLU A 98 4.948 0.485 -14.970 1.00 0.00 C ATOM 1503 CD GLU A 98 4.489 0.611 -16.410 1.00 0.00 C ATOM 1504 OE1 GLU A 98 4.486 -0.414 -17.123 1.00 0.00 O ATOM 1505 OE2 GLU A 98 4.134 1.735 -16.823 1.00 0.00 O ATOM 0 H GLU A 98 5.326 0.555 -12.700 1.00 0.00 H new ATOM 0 HA GLU A 98 6.246 -1.885 -13.717 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.066 0.767 -14.889 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.568 -0.697 -15.713 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.263 -0.169 -14.430 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.900 1.463 -14.490 1.00 0.00 H new ATOM 1512 N HIS A 99 8.568 0.079 -12.511 1.00 0.00 N ATOM 1513 CA HIS A 99 9.978 0.151 -12.143 1.00 0.00 C ATOM 1514 C HIS A 99 10.344 -0.968 -11.173 1.00 0.00 C ATOM 1515 O HIS A 99 11.376 -1.622 -11.325 1.00 0.00 O ATOM 1516 CB HIS A 99 10.294 1.509 -11.516 1.00 0.00 C ATOM 1517 CG HIS A 99 11.561 1.520 -10.718 1.00 0.00 C ATOM 1518 ND1 HIS A 99 11.814 1.113 -9.452 1.00 0.00 N flip ATOM 1519 CD2 HIS A 99 12.758 1.995 -11.213 1.00 0.00 C flip ATOM 1520 CE1 HIS A 99 13.145 1.345 -9.208 1.00 0.00 C flip ATOM 1521 NE2 HIS A 99 13.692 1.877 -10.286 1.00 0.00 N flip ATOM 0 H HIS A 99 7.997 0.842 -12.147 1.00 0.00 H new ATOM 0 HA HIS A 99 10.571 0.031 -13.049 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.365 2.257 -12.306 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.466 1.804 -10.872 1.00 0.00 H new ATOM 0 HD1 HIS A 99 11.141 0.709 -8.801 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.908 2.400 -12.203 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.661 1.128 -8.284 1.00 0.00 H new ATOM 1530 N TYR A 100 9.493 -1.182 -10.176 1.00 0.00 N ATOM 1531 CA TYR A 100 9.729 -2.219 -9.179 1.00 0.00 C ATOM 1532 C TYR A 100 9.650 -3.607 -9.808 1.00 0.00 C ATOM 1533 O TYR A 100 10.397 -4.513 -9.438 1.00 0.00 O ATOM 1534 CB TYR A 100 8.712 -2.104 -8.042 1.00 0.00 C ATOM 1535 CG TYR A 100 8.873 -0.851 -7.210 1.00 0.00 C ATOM 1536 CD1 TYR A 100 10.134 -0.370 -6.880 1.00 0.00 C ATOM 1537 CD2 TYR A 100 7.764 -0.149 -6.755 1.00 0.00 C ATOM 1538 CE1 TYR A 100 10.286 0.773 -6.120 1.00 0.00 C ATOM 1539 CE2 TYR A 100 7.907 0.997 -5.996 1.00 0.00 C ATOM 1540 CZ TYR A 100 9.169 1.454 -5.681 1.00 0.00 C ATOM 1541 OH TYR A 100 9.315 2.593 -4.924 1.00 0.00 O ATOM 0 H TYR A 100 8.633 -0.651 -10.037 1.00 0.00 H new ATOM 0 HA TYR A 100 10.732 -2.078 -8.776 1.00 0.00 H new ATOM 0 HB2 TYR A 100 7.706 -2.125 -8.462 1.00 0.00 H new ATOM 0 HB3 TYR A 100 8.805 -2.975 -7.393 1.00 0.00 H new ATOM 0 HD1 TYR A 100 11.010 -0.899 -7.224 1.00 0.00 H new ATOM 0 HD2 TYR A 100 6.774 -0.505 -6.998 1.00 0.00 H new ATOM 0 HE1 TYR A 100 11.274 1.132 -5.871 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.034 1.532 -5.651 1.00 0.00 H new ATOM 0 HH TYR A 100 8.899 3.349 -5.388 1.00 0.00 H new ATOM 1551 N HIS A 101 8.738 -3.766 -10.762 1.00 0.00 N ATOM 1552 CA HIS A 101 8.561 -5.043 -11.445 1.00 0.00 C ATOM 1553 C HIS A 101 9.900 -5.747 -11.636 1.00 0.00 C ATOM 1554 O HIS A 101 9.977 -6.976 -11.617 1.00 0.00 O ATOM 1555 CB HIS A 101 7.885 -4.831 -12.800 1.00 0.00 C ATOM 1556 CG HIS A 101 6.389 -4.895 -12.739 1.00 0.00 C ATOM 1557 ND1 HIS A 101 5.601 -5.132 -13.846 1.00 0.00 N ATOM 1558 CD2 HIS A 101 5.539 -4.753 -11.696 1.00 0.00 C ATOM 1559 CE1 HIS A 101 4.330 -5.131 -13.486 1.00 0.00 C ATOM 1560 NE2 HIS A 101 4.265 -4.903 -12.187 1.00 0.00 N ATOM 0 H HIS A 101 8.111 -3.027 -11.080 1.00 0.00 H new ATOM 0 HA HIS A 101 7.924 -5.674 -10.824 1.00 0.00 H new ATOM 0 HB2 HIS A 101 8.183 -3.861 -13.198 1.00 0.00 H new ATOM 0 HB3 HIS A 101 8.245 -5.586 -13.499 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.811 -4.558 -10.669 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.487 -5.290 -14.143 1.00 0.00 H new ATOM 0 HE2 HIS A 101 3.408 -4.847 -11.637 1.00 0.00 H new ATOM 1569 N THR A 102 10.956 -4.961 -11.822 1.00 0.00 N ATOM 1570 CA THR A 102 12.292 -5.508 -12.019 1.00 0.00 C ATOM 1571 C THR A 102 13.199 -5.185 -10.837 1.00 0.00 C ATOM 1572 O THR A 102 14.133 -5.929 -10.536 1.00 0.00 O ATOM 1573 CB THR A 102 12.937 -4.967 -13.309 1.00 0.00 C ATOM 1574 OG1 THR A 102 13.146 -3.555 -13.197 1.00 0.00 O ATOM 1575 CG2 THR A 102 12.059 -5.261 -14.516 1.00 0.00 C ATOM 0 H THR A 102 10.911 -3.942 -11.840 1.00 0.00 H new ATOM 0 HA THR A 102 12.181 -6.589 -12.103 1.00 0.00 H new ATOM 0 HB THR A 102 13.896 -5.466 -13.447 1.00 0.00 H new ATOM 0 HG1 THR A 102 13.558 -3.219 -14.020 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.534 -4.870 -15.416 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.926 -6.338 -14.615 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.087 -4.786 -14.383 1.00 0.00 H new ATOM 1583 N HIS A 103 12.918 -4.070 -10.169 1.00 0.00 N ATOM 1584 CA HIS A 103 13.708 -3.649 -9.018 1.00 0.00 C ATOM 1585 C HIS A 103 12.966 -3.934 -7.715 1.00 0.00 C ATOM 1586 O HIS A 103 12.197 -3.103 -7.232 1.00 0.00 O ATOM 1587 CB HIS A 103 14.036 -2.158 -9.115 1.00 0.00 C ATOM 1588 CG HIS A 103 15.274 -1.868 -9.906 1.00 0.00 C ATOM 1589 ND1 HIS A 103 16.187 -0.900 -9.545 1.00 0.00 N ATOM 1590 CD2 HIS A 103 15.750 -2.426 -11.043 1.00 0.00 C ATOM 1591 CE1 HIS A 103 17.170 -0.874 -10.427 1.00 0.00 C ATOM 1592 NE2 HIS A 103 16.929 -1.791 -11.347 1.00 0.00 N ATOM 0 H HIS A 103 12.149 -3.442 -10.405 1.00 0.00 H new ATOM 0 HA HIS A 103 14.637 -4.219 -9.019 1.00 0.00 H new ATOM 0 HB2 HIS A 103 13.193 -1.638 -9.571 1.00 0.00 H new ATOM 0 HB3 HIS A 103 14.154 -1.754 -8.110 1.00 0.00 H new ATOM 0 HD2 HIS A 103 15.288 -3.223 -11.607 1.00 0.00 H new ATOM 0 HE1 HIS A 103 18.025 -0.215 -10.401 1.00 0.00 H new ATOM 0 HE2 HIS A 103 17.522 -1.994 -12.152 1.00 0.00 H new ATOM 1601 N VAL A 104 13.201 -5.115 -7.153 1.00 0.00 N ATOM 1602 CA VAL A 104 12.556 -5.511 -5.907 1.00 0.00 C ATOM 1603 C VAL A 104 12.370 -4.314 -4.981 1.00 0.00 C ATOM 1604 O VAL A 104 13.195 -3.400 -4.955 1.00 0.00 O ATOM 1605 CB VAL A 104 13.369 -6.592 -5.172 1.00 0.00 C ATOM 1606 CG1 VAL A 104 14.858 -6.292 -5.257 1.00 0.00 C ATOM 1607 CG2 VAL A 104 12.922 -6.702 -3.722 1.00 0.00 C ATOM 0 H VAL A 104 13.834 -5.815 -7.541 1.00 0.00 H new ATOM 0 HA VAL A 104 11.580 -5.919 -6.172 1.00 0.00 H new ATOM 0 HB VAL A 104 13.187 -7.550 -5.658 1.00 0.00 H new ATOM 0 HG11 VAL A 104 15.416 -7.067 -4.732 1.00 0.00 H new ATOM 0 HG12 VAL A 104 15.165 -6.269 -6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 104 15.061 -5.325 -4.798 1.00 0.00 H new ATOM 0 HG21 VAL A 104 13.508 -7.471 -3.218 1.00 0.00 H new ATOM 0 HG22 VAL A 104 13.072 -5.745 -3.221 1.00 0.00 H new ATOM 0 HG23 VAL A 104 11.866 -6.969 -3.686 1.00 0.00 H new ATOM 1617 N LEU A 105 11.280 -4.325 -4.221 1.00 0.00 N ATOM 1618 CA LEU A 105 10.984 -3.240 -3.291 1.00 0.00 C ATOM 1619 C LEU A 105 12.000 -3.206 -2.153 1.00 0.00 C ATOM 1620 O LEU A 105 12.631 -4.209 -1.822 1.00 0.00 O ATOM 1621 CB LEU A 105 9.572 -3.398 -2.725 1.00 0.00 C ATOM 1622 CG LEU A 105 8.487 -3.789 -3.728 1.00 0.00 C ATOM 1623 CD1 LEU A 105 7.299 -4.415 -3.013 1.00 0.00 C ATOM 1624 CD2 LEU A 105 8.047 -2.578 -4.537 1.00 0.00 C ATOM 0 H LEU A 105 10.587 -5.073 -4.230 1.00 0.00 H new ATOM 0 HA LEU A 105 11.046 -2.299 -3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 105 9.600 -4.152 -1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.283 -2.458 -2.256 1.00 0.00 H new ATOM 0 HG LEU A 105 8.902 -4.528 -4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.537 -4.687 -3.743 1.00 0.00 H new ATOM 0 HD12 LEU A 105 7.625 -5.308 -2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 105 6.883 -3.700 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.274 -2.875 -5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 105 7.650 -1.817 -3.866 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.901 -2.173 -5.080 1.00 0.00 H new ATOM 1636 N PRO A 106 12.160 -2.025 -1.539 1.00 0.00 N ATOM 1637 CA PRO A 106 13.096 -1.832 -0.427 1.00 0.00 C ATOM 1638 C PRO A 106 12.641 -2.542 0.844 1.00 0.00 C ATOM 1639 O PRO A 106 11.490 -2.967 0.950 1.00 0.00 O ATOM 1640 CB PRO A 106 13.095 -0.315 -0.221 1.00 0.00 C ATOM 1641 CG PRO A 106 11.774 0.137 -0.743 1.00 0.00 C ATOM 1642 CD PRO A 106 11.441 -0.787 -1.882 1.00 0.00 C ATOM 0 HA PRO A 106 14.080 -2.246 -0.647 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.214 -0.058 0.832 1.00 0.00 H new ATOM 0 HB3 PRO A 106 13.916 0.158 -0.759 1.00 0.00 H new ATOM 0 HG2 PRO A 106 11.011 0.090 0.034 1.00 0.00 H new ATOM 0 HG3 PRO A 106 11.821 1.172 -1.081 1.00 0.00 H new ATOM 0 HD2 PRO A 106 10.367 -0.955 -1.962 1.00 0.00 H new ATOM 0 HD3 PRO A 106 11.772 -0.382 -2.838 1.00 0.00 H new ATOM 1650 N SER A 107 13.550 -2.666 1.805 1.00 0.00 N ATOM 1651 CA SER A 107 13.242 -3.328 3.067 1.00 0.00 C ATOM 1652 C SER A 107 12.917 -4.801 2.843 1.00 0.00 C ATOM 1653 O SER A 107 12.212 -5.421 3.640 1.00 0.00 O ATOM 1654 CB SER A 107 12.067 -2.633 3.758 1.00 0.00 C ATOM 1655 OG SER A 107 12.412 -1.316 4.152 1.00 0.00 O ATOM 0 H SER A 107 14.506 -2.317 1.734 1.00 0.00 H new ATOM 0 HA SER A 107 14.121 -3.262 3.708 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.212 -2.601 3.083 1.00 0.00 H new ATOM 0 HB3 SER A 107 11.763 -3.209 4.632 1.00 0.00 H new ATOM 0 HG SER A 107 11.644 -0.893 4.589 1.00 0.00 H new ATOM 1661 N HIS A 108 13.435 -5.356 1.752 1.00 0.00 N ATOM 1662 CA HIS A 108 13.201 -6.757 1.422 1.00 0.00 C ATOM 1663 C HIS A 108 14.355 -7.321 0.598 1.00 0.00 C ATOM 1664 O HIS A 108 15.358 -6.645 0.374 1.00 0.00 O ATOM 1665 CB HIS A 108 11.888 -6.909 0.654 1.00 0.00 C ATOM 1666 CG HIS A 108 11.122 -8.145 1.015 1.00 0.00 C ATOM 1667 ND1 HIS A 108 11.258 -9.339 0.339 1.00 0.00 N ATOM 1668 CD2 HIS A 108 10.210 -8.367 1.990 1.00 0.00 C ATOM 1669 CE1 HIS A 108 10.461 -10.242 0.881 1.00 0.00 C ATOM 1670 NE2 HIS A 108 9.814 -9.678 1.885 1.00 0.00 N ATOM 0 H HIS A 108 14.020 -4.857 1.082 1.00 0.00 H new ATOM 0 HA HIS A 108 13.135 -7.319 2.354 1.00 0.00 H new ATOM 0 HB2 HIS A 108 11.263 -6.036 0.843 1.00 0.00 H new ATOM 0 HB3 HIS A 108 12.101 -6.923 -0.415 1.00 0.00 H new ATOM 0 HD2 HIS A 108 9.859 -7.648 2.715 1.00 0.00 H new ATOM 0 HE1 HIS A 108 10.356 -11.267 0.558 1.00 0.00 H new ATOM 0 HE2 HIS A 108 9.131 -10.141 2.485 1.00 0.00 H new ATOM 1679 N GLN A 109 14.204 -8.564 0.150 1.00 0.00 N ATOM 1680 CA GLN A 109 15.234 -9.218 -0.647 1.00 0.00 C ATOM 1681 C GLN A 109 14.736 -9.490 -2.063 1.00 0.00 C ATOM 1682 O GLN A 109 15.317 -9.014 -3.038 1.00 0.00 O ATOM 1683 CB GLN A 109 15.666 -10.528 0.015 1.00 0.00 C ATOM 1684 CG GLN A 109 14.512 -11.477 0.295 1.00 0.00 C ATOM 1685 CD GLN A 109 14.783 -12.393 1.472 1.00 0.00 C ATOM 1686 OE1 GLN A 109 15.935 -12.641 1.829 1.00 0.00 O ATOM 1687 NE2 GLN A 109 13.719 -12.901 2.084 1.00 0.00 N ATOM 0 H GLN A 109 13.379 -9.137 0.326 1.00 0.00 H new ATOM 0 HA GLN A 109 16.092 -8.549 -0.706 1.00 0.00 H new ATOM 0 HB2 GLN A 109 16.390 -11.029 -0.628 1.00 0.00 H new ATOM 0 HB3 GLN A 109 16.175 -10.302 0.952 1.00 0.00 H new ATOM 0 HG2 GLN A 109 13.609 -10.898 0.490 1.00 0.00 H new ATOM 0 HG3 GLN A 109 14.318 -12.079 -0.592 1.00 0.00 H new ATOM 0 HE21 GLN A 109 12.782 -12.669 1.755 1.00 0.00 H new ATOM 0 HE22 GLN A 109 13.839 -13.523 2.883 1.00 0.00 H new ATOM 1696 N SER A 110 13.656 -10.259 -2.167 1.00 0.00 N ATOM 1697 CA SER A 110 13.082 -10.598 -3.464 1.00 0.00 C ATOM 1698 C SER A 110 11.564 -10.446 -3.443 1.00 0.00 C ATOM 1699 O SER A 110 10.829 -11.401 -3.696 1.00 0.00 O ATOM 1700 CB SER A 110 13.457 -12.029 -3.854 1.00 0.00 C ATOM 1701 OG SER A 110 14.861 -12.171 -3.981 1.00 0.00 O ATOM 0 H SER A 110 13.162 -10.658 -1.369 1.00 0.00 H new ATOM 0 HA SER A 110 13.489 -9.909 -4.204 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.085 -12.724 -3.101 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.975 -12.291 -4.796 1.00 0.00 H new ATOM 0 HG SER A 110 15.075 -13.095 -4.229 1.00 0.00 H new ATOM 1707 N LEU A 111 11.101 -9.238 -3.138 1.00 0.00 N ATOM 1708 CA LEU A 111 9.670 -8.959 -3.083 1.00 0.00 C ATOM 1709 C LEU A 111 9.267 -7.963 -4.166 1.00 0.00 C ATOM 1710 O LEU A 111 9.347 -6.750 -3.969 1.00 0.00 O ATOM 1711 CB LEU A 111 9.290 -8.414 -1.705 1.00 0.00 C ATOM 1712 CG LEU A 111 7.848 -7.929 -1.550 1.00 0.00 C ATOM 1713 CD1 LEU A 111 6.871 -9.046 -1.885 1.00 0.00 C ATOM 1714 CD2 LEU A 111 7.608 -7.413 -0.139 1.00 0.00 C ATOM 0 H LEU A 111 11.695 -8.437 -2.925 1.00 0.00 H new ATOM 0 HA LEU A 111 9.135 -9.893 -3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 111 9.472 -9.194 -0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 111 9.958 -7.587 -1.467 1.00 0.00 H new ATOM 0 HG LEU A 111 7.683 -7.108 -2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 111 5.850 -8.683 -1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 111 7.027 -9.369 -2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.035 -9.887 -1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.577 -7.072 -0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.791 -8.214 0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.284 -6.583 0.065 1.00 0.00 H new ATOM 1726 N LEU A 112 8.833 -8.483 -5.308 1.00 0.00 N ATOM 1727 CA LEU A 112 8.415 -7.640 -6.423 1.00 0.00 C ATOM 1728 C LEU A 112 6.894 -7.600 -6.535 1.00 0.00 C ATOM 1729 O LEU A 112 6.190 -8.337 -5.843 1.00 0.00 O ATOM 1730 CB LEU A 112 9.021 -8.152 -7.731 1.00 0.00 C ATOM 1731 CG LEU A 112 10.539 -8.329 -7.743 1.00 0.00 C ATOM 1732 CD1 LEU A 112 10.932 -9.511 -8.616 1.00 0.00 C ATOM 1733 CD2 LEU A 112 11.221 -7.058 -8.226 1.00 0.00 C ATOM 0 H LEU A 112 8.761 -9.485 -5.487 1.00 0.00 H new ATOM 0 HA LEU A 112 8.774 -6.628 -6.236 1.00 0.00 H new ATOM 0 HB2 LEU A 112 8.562 -9.111 -7.970 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.750 -7.461 -8.529 1.00 0.00 H new ATOM 0 HG LEU A 112 10.869 -8.530 -6.724 1.00 0.00 H new ATOM 0 HD11 LEU A 112 12.016 -9.621 -8.612 1.00 0.00 H new ATOM 0 HD12 LEU A 112 10.473 -10.420 -8.226 1.00 0.00 H new ATOM 0 HD13 LEU A 112 10.588 -9.340 -9.636 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.301 -7.203 -8.228 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.884 -6.826 -9.236 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.967 -6.233 -7.560 1.00 0.00 H new ATOM 1745 N LEU A 113 6.393 -6.737 -7.412 1.00 0.00 N ATOM 1746 CA LEU A 113 4.955 -6.602 -7.617 1.00 0.00 C ATOM 1747 C LEU A 113 4.492 -7.448 -8.798 1.00 0.00 C ATOM 1748 O LEU A 113 4.849 -7.179 -9.945 1.00 0.00 O ATOM 1749 CB LEU A 113 4.589 -5.135 -7.851 1.00 0.00 C ATOM 1750 CG LEU A 113 5.202 -4.127 -6.878 1.00 0.00 C ATOM 1751 CD1 LEU A 113 4.961 -2.705 -7.361 1.00 0.00 C ATOM 1752 CD2 LEU A 113 4.632 -4.321 -5.480 1.00 0.00 C ATOM 0 H LEU A 113 6.961 -6.120 -7.993 1.00 0.00 H new ATOM 0 HA LEU A 113 4.450 -6.957 -6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.891 -4.863 -8.863 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.504 -5.040 -7.805 1.00 0.00 H new ATOM 0 HG LEU A 113 6.278 -4.298 -6.837 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.404 -2.001 -6.656 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.417 -2.572 -8.342 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.889 -2.521 -7.431 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.079 -3.595 -4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 113 3.552 -4.177 -5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.856 -5.329 -5.132 1.00 0.00 H new ATOM 1764 N ARG A 114 3.693 -8.471 -8.510 1.00 0.00 N ATOM 1765 CA ARG A 114 3.180 -9.356 -9.548 1.00 0.00 C ATOM 1766 C ARG A 114 1.717 -9.047 -9.852 1.00 0.00 C ATOM 1767 O ARG A 114 1.366 -8.706 -10.982 1.00 0.00 O ATOM 1768 CB ARG A 114 3.325 -10.817 -9.120 1.00 0.00 C ATOM 1769 CG ARG A 114 4.767 -11.297 -9.069 1.00 0.00 C ATOM 1770 CD ARG A 114 4.936 -12.452 -8.094 1.00 0.00 C ATOM 1771 NE ARG A 114 4.025 -13.554 -8.388 1.00 0.00 N ATOM 1772 CZ ARG A 114 4.141 -14.339 -9.454 1.00 0.00 C ATOM 1773 NH1 ARG A 114 5.124 -14.143 -10.321 1.00 0.00 N ATOM 1774 NH2 ARG A 114 3.272 -15.322 -9.653 1.00 0.00 N ATOM 0 H ARG A 114 3.387 -8.707 -7.566 1.00 0.00 H new ATOM 0 HA ARG A 114 3.764 -9.190 -10.453 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.873 -10.945 -8.136 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.766 -11.447 -9.812 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.083 -11.610 -10.064 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.416 -10.472 -8.774 1.00 0.00 H new ATOM 0 HD2 ARG A 114 5.964 -12.812 -8.133 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.760 -12.098 -7.078 1.00 0.00 H new ATOM 0 HE ARG A 114 3.258 -13.731 -7.740 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.794 -13.388 -10.171 1.00 0.00 H new ATOM 0 HH12 ARG A 114 5.211 -14.747 -11.138 1.00 0.00 H new ATOM 0 HH21 ARG A 114 2.514 -15.475 -8.988 1.00 0.00 H new ATOM 0 HH22 ARG A 114 3.362 -15.924 -10.471 1.00 0.00 H new ATOM 1788 N HIS A 115 0.869 -9.168 -8.836 1.00 0.00 N ATOM 1789 CA HIS A 115 -0.557 -8.902 -8.995 1.00 0.00 C ATOM 1790 C HIS A 115 -1.055 -7.951 -7.911 1.00 0.00 C ATOM 1791 O HIS A 115 -0.741 -8.098 -6.729 1.00 0.00 O ATOM 1792 CB HIS A 115 -1.350 -10.208 -8.948 1.00 0.00 C ATOM 1793 CG HIS A 115 -0.587 -11.390 -9.462 1.00 0.00 C ATOM 1794 ND1 HIS A 115 -0.633 -11.801 -10.778 1.00 0.00 N ATOM 1795 CD2 HIS A 115 0.245 -12.251 -8.830 1.00 0.00 C ATOM 1796 CE1 HIS A 115 0.136 -12.864 -10.932 1.00 0.00 C ATOM 1797 NE2 HIS A 115 0.681 -13.157 -9.765 1.00 0.00 N ATOM 0 H HIS A 115 1.144 -9.448 -7.894 1.00 0.00 H new ATOM 0 HA HIS A 115 -0.708 -8.430 -9.966 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -1.655 -10.402 -7.920 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -2.262 -10.091 -9.534 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -1.176 -11.354 -11.517 1.00 0.00 H new ATOM 0 HD2 HIS A 115 0.515 -12.229 -7.785 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.293 -13.402 -11.855 1.00 0.00 H new ATOM 1806 N PRO A 116 -1.851 -6.952 -8.319 1.00 0.00 N ATOM 1807 CA PRO A 116 -2.410 -5.958 -7.398 1.00 0.00 C ATOM 1808 C PRO A 116 -3.467 -6.553 -6.474 1.00 0.00 C ATOM 1809 O PRO A 116 -3.784 -7.739 -6.561 1.00 0.00 O ATOM 1810 CB PRO A 116 -3.039 -4.922 -8.334 1.00 0.00 C ATOM 1811 CG PRO A 116 -3.345 -5.675 -9.582 1.00 0.00 C ATOM 1812 CD PRO A 116 -2.268 -6.716 -9.712 1.00 0.00 C ATOM 0 HA PRO A 116 -1.651 -5.547 -6.733 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -3.942 -4.492 -7.900 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -2.354 -4.096 -8.528 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.330 -6.138 -9.527 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -3.352 -5.011 -10.446 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -2.644 -7.627 -10.179 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -1.439 -6.362 -10.325 1.00 0.00 H new ATOM 1820 N TYR A 117 -4.009 -5.722 -5.591 1.00 0.00 N ATOM 1821 CA TYR A 117 -5.030 -6.167 -4.649 1.00 0.00 C ATOM 1822 C TYR A 117 -6.429 -5.903 -5.197 1.00 0.00 C ATOM 1823 O TYR A 117 -6.651 -4.937 -5.926 1.00 0.00 O ATOM 1824 CB TYR A 117 -4.855 -5.460 -3.304 1.00 0.00 C ATOM 1825 CG TYR A 117 -6.107 -5.452 -2.457 1.00 0.00 C ATOM 1826 CD1 TYR A 117 -6.609 -6.628 -1.913 1.00 0.00 C ATOM 1827 CD2 TYR A 117 -6.788 -4.269 -2.200 1.00 0.00 C ATOM 1828 CE1 TYR A 117 -7.753 -6.626 -1.139 1.00 0.00 C ATOM 1829 CE2 TYR A 117 -7.932 -4.257 -1.426 1.00 0.00 C ATOM 1830 CZ TYR A 117 -8.411 -5.438 -0.898 1.00 0.00 C ATOM 1831 OH TYR A 117 -9.551 -5.431 -0.127 1.00 0.00 O ATOM 0 H TYR A 117 -3.759 -4.737 -5.507 1.00 0.00 H new ATOM 0 HA TYR A 117 -4.913 -7.241 -4.505 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -4.054 -5.947 -2.748 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.540 -4.432 -3.482 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -6.096 -7.560 -2.099 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -6.417 -3.343 -2.612 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -8.130 -7.549 -0.725 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -8.449 -3.328 -1.235 1.00 0.00 H new ATOM 0 HH TYR A 117 -9.891 -4.515 -0.054 1.00 0.00 H new ATOM 1841 N GLY A 118 -7.371 -6.771 -4.839 1.00 0.00 N ATOM 1842 CA GLY A 118 -8.737 -6.615 -5.303 1.00 0.00 C ATOM 1843 C GLY A 118 -8.917 -7.067 -6.739 1.00 0.00 C ATOM 1844 O GLY A 118 -9.883 -7.758 -7.062 1.00 0.00 O ATOM 0 H GLY A 118 -7.212 -7.579 -4.236 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -9.404 -7.188 -4.659 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -9.030 -5.569 -5.215 1.00 0.00 H new ATOM 1848 N TYR A 119 -7.987 -6.674 -7.602 1.00 0.00 N ATOM 1849 CA TYR A 119 -8.050 -7.039 -9.012 1.00 0.00 C ATOM 1850 C TYR A 119 -8.344 -8.527 -9.177 1.00 0.00 C ATOM 1851 O TYR A 119 -8.345 -9.284 -8.205 1.00 0.00 O ATOM 1852 CB TYR A 119 -6.736 -6.687 -9.711 1.00 0.00 C ATOM 1853 CG TYR A 119 -6.832 -6.691 -11.219 1.00 0.00 C ATOM 1854 CD1 TYR A 119 -7.635 -5.774 -11.886 1.00 0.00 C ATOM 1855 CD2 TYR A 119 -6.119 -7.611 -11.979 1.00 0.00 C ATOM 1856 CE1 TYR A 119 -7.727 -5.774 -13.264 1.00 0.00 C ATOM 1857 CE2 TYR A 119 -6.204 -7.617 -13.358 1.00 0.00 C ATOM 1858 CZ TYR A 119 -7.009 -6.697 -13.996 1.00 0.00 C ATOM 1859 OH TYR A 119 -7.097 -6.700 -15.369 1.00 0.00 O ATOM 0 H TYR A 119 -7.181 -6.103 -7.350 1.00 0.00 H new ATOM 0 HA TYR A 119 -8.861 -6.474 -9.471 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.410 -5.701 -9.379 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -5.969 -7.397 -9.402 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -8.197 -5.048 -11.317 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -5.488 -8.333 -11.483 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -8.358 -5.055 -13.766 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -5.643 -8.339 -13.933 1.00 0.00 H new ATOM 0 HH TYR A 119 -6.529 -7.411 -15.732 1.00 0.00 H new