USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 578 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 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS :FLIP no HE2:sc= -6.04! C(o=-7!,f=-6!) USER MOD Single : A 65 LYS NZ :NH3+ -111:sc= -0.235 (180deg=-3.72!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0.174 K(o=0.17,f=-2.4!) USER MOD Single : A 90 MET CE :methyl -142:sc= -0.743 (180deg=-2.2!) USER MOD Single : A 95 ASN :FLIP amide:sc= -0.274! F(o=-0.95,f=-0.27!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 THR OG1 : rot 24:sc= 0.252 USER MOD Single : A 109 THR OG1 : rot 75:sc= 0.255 USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -3.76 K(o=-3.8,f=-13!) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 HIS : no HD1:sc= -7.26! C(o=-7.3!,f=-11!) USER MOD Single : A 123 ASN : amide:sc= -0.182 K(o=-0.18,f=-1.9!) USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= 0.0705 K(o=0.07,f=-2.2!) USER MOD Single : A 130 TYR OH : rot 90:sc= -0.633 USER MOD Single : A 131 SER OG : rot -174:sc= -0.107 USER MOD ----------------------------------------------------------------- ATOM 160 N SER A 58 -2.192 10.673 1.950 1.00 0.00 N ATOM 161 CA SER A 58 -0.814 10.495 2.390 1.00 0.00 C ATOM 162 C SER A 58 0.000 9.748 1.339 1.00 0.00 C ATOM 163 O SER A 58 -0.507 8.850 0.667 1.00 0.00 O ATOM 164 CB SER A 58 -0.775 9.734 3.717 1.00 0.00 C ATOM 165 OG SER A 58 0.555 9.595 4.186 1.00 0.00 O ATOM 0 HA SER A 58 -0.373 11.482 2.531 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.373 10.262 4.460 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.223 8.749 3.588 1.00 0.00 H new ATOM 0 HG SER A 58 0.553 9.107 5.036 1.00 0.00 H new ATOM 171 N ARG A 59 1.267 10.128 1.201 1.00 0.00 N ATOM 172 CA ARG A 59 2.153 9.495 0.230 1.00 0.00 C ATOM 173 C ARG A 59 2.349 8.017 0.555 1.00 0.00 C ATOM 174 O ARG A 59 2.506 7.188 -0.342 1.00 0.00 O ATOM 175 CB ARG A 59 3.506 10.206 0.205 1.00 0.00 C ATOM 176 CG ARG A 59 4.192 10.262 1.560 1.00 0.00 C ATOM 177 CD ARG A 59 5.116 11.464 1.668 1.00 0.00 C ATOM 178 NE ARG A 59 5.866 11.467 2.921 1.00 0.00 N ATOM 179 CZ ARG A 59 5.354 11.856 4.083 1.00 0.00 C ATOM 180 NH1 ARG A 59 4.096 12.269 4.151 1.00 0.00 N ATOM 181 NH2 ARG A 59 6.099 11.829 5.181 1.00 0.00 N ATOM 0 H ARG A 59 1.702 10.870 1.749 1.00 0.00 H new ATOM 0 HA ARG A 59 1.690 9.574 -0.753 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.161 9.698 -0.503 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.366 11.222 -0.164 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.440 10.308 2.348 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.763 9.347 1.718 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.812 11.463 0.829 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.530 12.380 1.594 1.00 0.00 H new ATOM 0 HE ARG A 59 6.836 11.153 2.903 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.519 12.288 3.310 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.705 12.567 5.044 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.066 11.509 5.133 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.704 12.128 6.073 1.00 0.00 H new ATOM 195 N VAL A 60 2.339 7.693 1.844 1.00 0.00 N ATOM 196 CA VAL A 60 2.516 6.316 2.288 1.00 0.00 C ATOM 197 C VAL A 60 1.175 5.600 2.405 1.00 0.00 C ATOM 198 O VAL A 60 0.220 6.134 2.970 1.00 0.00 O ATOM 199 CB VAL A 60 3.239 6.253 3.647 1.00 0.00 C ATOM 200 CG1 VAL A 60 3.113 4.863 4.255 1.00 0.00 C ATOM 201 CG2 VAL A 60 4.700 6.645 3.492 1.00 0.00 C ATOM 0 H VAL A 60 2.210 8.366 2.599 1.00 0.00 H new ATOM 0 HA VAL A 60 3.127 5.817 1.536 1.00 0.00 H new ATOM 0 HB VAL A 60 2.766 6.964 4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.630 4.837 5.214 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.060 4.625 4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.559 4.130 3.583 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.195 6.595 4.462 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.189 5.960 2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.765 7.661 3.104 1.00 0.00 H new ATOM 211 N LEU A 61 1.110 4.388 1.866 1.00 0.00 N ATOM 212 CA LEU A 61 -0.115 3.596 1.908 1.00 0.00 C ATOM 213 C LEU A 61 0.085 2.328 2.733 1.00 0.00 C ATOM 214 O LEU A 61 1.196 1.806 2.830 1.00 0.00 O ATOM 215 CB LEU A 61 -0.561 3.232 0.492 1.00 0.00 C ATOM 216 CG LEU A 61 -0.756 4.403 -0.472 1.00 0.00 C ATOM 217 CD1 LEU A 61 -0.929 3.898 -1.897 1.00 0.00 C ATOM 218 CD2 LEU A 61 -1.952 5.244 -0.054 1.00 0.00 C ATOM 0 H LEU A 61 1.891 3.932 1.395 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.891 4.198 2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.177 2.554 0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.500 2.682 0.558 1.00 0.00 H new ATOM 0 HG LEU A 61 0.134 5.031 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.067 4.745 -2.569 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.042 3.339 -2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.802 3.248 -1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.076 6.073 -0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.851 4.627 -0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.788 5.636 0.950 1.00 0.00 H new ATOM 230 N HIS A 62 -0.999 1.836 3.324 1.00 0.00 N ATOM 231 CA HIS A 62 -0.944 0.626 4.138 1.00 0.00 C ATOM 232 C HIS A 62 -1.684 -0.521 3.457 1.00 0.00 C ATOM 233 O HIS A 62 -2.840 -0.376 3.060 1.00 0.00 O ATOM 234 CB HIS A 62 -1.544 0.889 5.520 1.00 0.00 C ATOM 235 CG HIS A 62 -1.841 -0.361 6.290 1.00 0.00 C ATOM 236 ND1 HIS A 62 -1.043 -1.399 6.634 1.00 0.00 N flip ATOM 237 CD2 HIS A 62 -3.088 -0.651 6.803 1.00 0.00 C flip ATOM 238 CE1 HIS A 62 -1.814 -2.288 7.341 1.00 0.00 C flip ATOM 239 NE2 HIS A 62 -3.044 -1.813 7.430 1.00 0.00 N flip ATOM 0 H HIS A 62 -1.926 2.256 3.255 1.00 0.00 H new ATOM 0 HA HIS A 62 0.102 0.341 4.253 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -0.854 1.506 6.096 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.464 1.463 5.405 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -0.053 -1.501 6.410 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -3.963 -0.026 6.707 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.471 -3.224 7.757 1.00 0.00 H new ATOM 247 N ILE A 63 -1.011 -1.658 3.327 1.00 0.00 N ATOM 248 CA ILE A 63 -1.605 -2.829 2.695 1.00 0.00 C ATOM 249 C ILE A 63 -1.627 -4.017 3.650 1.00 0.00 C ATOM 250 O ILE A 63 -0.710 -4.201 4.451 1.00 0.00 O ATOM 251 CB ILE A 63 -0.843 -3.227 1.417 1.00 0.00 C ATOM 252 CG1 ILE A 63 -0.500 -1.984 0.594 1.00 0.00 C ATOM 253 CG2 ILE A 63 -1.667 -4.204 0.591 1.00 0.00 C ATOM 254 CD1 ILE A 63 0.506 -2.245 -0.506 1.00 0.00 C ATOM 0 H ILE A 63 -0.053 -1.794 3.651 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.627 -2.559 2.430 1.00 0.00 H new ATOM 0 HB ILE A 63 0.087 -3.718 1.704 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.414 -1.587 0.152 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.107 -1.215 1.259 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.115 -4.476 -0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.866 -5.100 1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.611 -3.737 0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.701 -1.319 -1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.435 -2.613 -0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.108 -2.991 -1.194 1.00 0.00 H new ATOM 266 N ARG A 64 -2.680 -4.823 3.560 1.00 0.00 N ATOM 267 CA ARG A 64 -2.821 -5.996 4.416 1.00 0.00 C ATOM 268 C ARG A 64 -3.377 -7.179 3.629 1.00 0.00 C ATOM 269 O ARG A 64 -3.639 -7.074 2.431 1.00 0.00 O ATOM 270 CB ARG A 64 -3.737 -5.681 5.599 1.00 0.00 C ATOM 271 CG ARG A 64 -3.679 -4.229 6.046 1.00 0.00 C ATOM 272 CD ARG A 64 -4.688 -3.374 5.295 1.00 0.00 C ATOM 273 NE ARG A 64 -6.031 -3.494 5.856 1.00 0.00 N ATOM 274 CZ ARG A 64 -7.052 -2.728 5.488 1.00 0.00 C ATOM 275 NH1 ARG A 64 -6.884 -1.792 4.563 1.00 0.00 N ATOM 276 NH2 ARG A 64 -8.245 -2.897 6.045 1.00 0.00 N ATOM 0 H ARG A 64 -3.448 -4.686 2.903 1.00 0.00 H new ATOM 0 HA ARG A 64 -1.833 -6.263 4.791 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.764 -5.928 5.328 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.466 -6.322 6.438 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -3.875 -4.169 7.117 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.675 -3.837 5.883 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.374 -2.331 5.326 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.705 -3.670 4.246 1.00 0.00 H new ATOM 0 HE ARG A 64 -6.194 -4.205 6.569 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.969 -1.659 4.132 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.670 -1.205 4.282 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.378 -3.616 6.756 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.028 -2.308 5.762 1.00 0.00 H new ATOM 290 N LYS A 65 -3.554 -8.305 4.311 1.00 0.00 N ATOM 291 CA LYS A 65 -4.079 -9.509 3.678 1.00 0.00 C ATOM 292 C LYS A 65 -3.166 -9.972 2.548 1.00 0.00 C ATOM 293 O LYS A 65 -3.615 -10.612 1.596 1.00 0.00 O ATOM 294 CB LYS A 65 -5.487 -9.254 3.139 1.00 0.00 C ATOM 295 CG LYS A 65 -6.578 -9.418 4.184 1.00 0.00 C ATOM 296 CD LYS A 65 -6.945 -10.878 4.383 1.00 0.00 C ATOM 297 CE LYS A 65 -7.697 -11.433 3.183 1.00 0.00 C ATOM 298 NZ LYS A 65 -6.772 -11.970 2.147 1.00 0.00 N ATOM 0 H LYS A 65 -3.341 -8.409 5.303 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.122 -10.296 4.431 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.534 -8.244 2.733 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.680 -9.939 2.313 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.243 -8.994 5.131 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.462 -8.858 3.879 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.040 -11.462 4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.559 -10.981 5.278 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.372 -12.223 3.512 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.314 -10.648 2.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.801 -11.359 1.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.803 -11.993 2.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.065 -12.933 1.886 1.00 0.00 H new ATOM 312 N LEU A 66 -1.883 -9.645 2.658 1.00 0.00 N ATOM 313 CA LEU A 66 -0.906 -10.028 1.645 1.00 0.00 C ATOM 314 C LEU A 66 -0.566 -11.511 1.748 1.00 0.00 C ATOM 315 O LEU A 66 -0.496 -12.082 2.837 1.00 0.00 O ATOM 316 CB LEU A 66 0.365 -9.191 1.792 1.00 0.00 C ATOM 317 CG LEU A 66 0.272 -7.741 1.316 1.00 0.00 C ATOM 318 CD1 LEU A 66 1.472 -6.942 1.802 1.00 0.00 C ATOM 319 CD2 LEU A 66 0.169 -7.681 -0.202 1.00 0.00 C ATOM 0 H LEU A 66 -1.495 -9.115 3.439 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.345 -9.842 0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.656 -9.190 2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.166 -9.683 1.240 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.630 -7.298 1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.389 -5.912 1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.501 -6.955 2.892 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.387 -7.385 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.104 -6.641 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.052 -8.142 -0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.722 -8.217 -0.528 1.00 0.00 H new ATOM 331 N PRO A 67 -0.349 -12.152 0.590 1.00 0.00 N ATOM 332 CA PRO A 67 -0.010 -13.577 0.525 1.00 0.00 C ATOM 333 C PRO A 67 1.085 -13.959 1.514 1.00 0.00 C ATOM 334 O PRO A 67 1.848 -13.107 1.971 1.00 0.00 O ATOM 335 CB PRO A 67 0.482 -13.759 -0.913 1.00 0.00 C ATOM 336 CG PRO A 67 -0.218 -12.698 -1.690 1.00 0.00 C ATOM 337 CD PRO A 67 -0.415 -11.534 -0.745 1.00 0.00 C ATOM 0 HA PRO A 67 -0.859 -14.210 0.784 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.564 -13.648 -0.978 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.240 -14.752 -1.292 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.372 -12.399 -2.557 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.175 -13.060 -2.065 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.359 -10.778 -0.875 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.373 -11.041 -0.911 1.00 0.00 H new ATOM 345 N GLY A 68 1.158 -15.245 1.844 1.00 0.00 N ATOM 346 CA GLY A 68 2.164 -15.716 2.778 1.00 0.00 C ATOM 347 C GLY A 68 3.560 -15.697 2.185 1.00 0.00 C ATOM 348 O GLY A 68 3.763 -16.120 1.047 1.00 0.00 O ATOM 0 H GLY A 68 0.538 -15.969 1.481 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.144 -15.094 3.673 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.919 -16.731 3.090 1.00 0.00 H new ATOM 352 N GLU A 69 4.522 -15.204 2.958 1.00 0.00 N ATOM 353 CA GLU A 69 5.905 -15.130 2.500 1.00 0.00 C ATOM 354 C GLU A 69 5.981 -14.565 1.084 1.00 0.00 C ATOM 355 O GLU A 69 6.689 -15.096 0.229 1.00 0.00 O ATOM 356 CB GLU A 69 6.555 -16.515 2.544 1.00 0.00 C ATOM 357 CG GLU A 69 6.343 -17.246 3.859 1.00 0.00 C ATOM 358 CD GLU A 69 7.435 -16.956 4.870 1.00 0.00 C ATOM 359 OE1 GLU A 69 8.622 -16.974 4.482 1.00 0.00 O ATOM 360 OE2 GLU A 69 7.104 -16.712 6.049 1.00 0.00 O ATOM 0 H GLU A 69 4.370 -14.850 3.903 1.00 0.00 H new ATOM 0 HA GLU A 69 6.446 -14.461 3.169 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.153 -17.121 1.732 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.625 -16.411 2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.379 -16.959 4.279 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.302 -18.319 3.672 1.00 0.00 H new ATOM 367 N VAL A 70 5.244 -13.485 0.844 1.00 0.00 N ATOM 368 CA VAL A 70 5.226 -12.847 -0.466 1.00 0.00 C ATOM 369 C VAL A 70 6.466 -11.985 -0.674 1.00 0.00 C ATOM 370 O VAL A 70 6.989 -11.390 0.270 1.00 0.00 O ATOM 371 CB VAL A 70 3.970 -11.975 -0.649 1.00 0.00 C ATOM 372 CG1 VAL A 70 4.064 -10.718 0.204 1.00 0.00 C ATOM 373 CG2 VAL A 70 3.777 -11.620 -2.116 1.00 0.00 C ATOM 0 H VAL A 70 4.651 -13.034 1.541 1.00 0.00 H new ATOM 0 HA VAL A 70 5.214 -13.646 -1.207 1.00 0.00 H new ATOM 0 HB VAL A 70 3.102 -12.545 -0.319 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.168 -10.114 0.062 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.151 -10.997 1.254 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.941 -10.142 -0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.885 -11.004 -2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.646 -11.068 -2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.662 -12.534 -2.699 1.00 0.00 H new ATOM 383 N THR A 71 6.933 -11.919 -1.916 1.00 0.00 N ATOM 384 CA THR A 71 8.112 -11.129 -2.249 1.00 0.00 C ATOM 385 C THR A 71 7.739 -9.682 -2.548 1.00 0.00 C ATOM 386 O THR A 71 6.590 -9.383 -2.873 1.00 0.00 O ATOM 387 CB THR A 71 8.858 -11.717 -3.462 1.00 0.00 C ATOM 388 OG1 THR A 71 8.017 -11.675 -4.621 1.00 0.00 O ATOM 389 CG2 THR A 71 9.287 -13.151 -3.192 1.00 0.00 C ATOM 0 H THR A 71 6.513 -12.404 -2.709 1.00 0.00 H new ATOM 0 HA THR A 71 8.768 -11.159 -1.379 1.00 0.00 H new ATOM 0 HB THR A 71 9.750 -11.116 -3.638 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.499 -12.049 -5.388 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.812 -13.544 -4.063 1.00 0.00 H new ATOM 0 HG22 THR A 71 9.950 -13.176 -2.327 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.407 -13.762 -2.992 1.00 0.00 H new ATOM 397 N GLU A 72 8.716 -8.788 -2.438 1.00 0.00 N ATOM 398 CA GLU A 72 8.487 -7.372 -2.697 1.00 0.00 C ATOM 399 C GLU A 72 8.128 -7.138 -4.161 1.00 0.00 C ATOM 400 O GLU A 72 7.159 -6.444 -4.472 1.00 0.00 O ATOM 401 CB GLU A 72 9.729 -6.557 -2.328 1.00 0.00 C ATOM 402 CG GLU A 72 10.024 -6.537 -0.837 1.00 0.00 C ATOM 403 CD GLU A 72 11.498 -6.349 -0.538 1.00 0.00 C ATOM 404 OE1 GLU A 72 12.316 -6.491 -1.471 1.00 0.00 O ATOM 405 OE2 GLU A 72 11.835 -6.058 0.629 1.00 0.00 O ATOM 0 H GLU A 72 9.673 -9.019 -2.171 1.00 0.00 H new ATOM 0 HA GLU A 72 7.650 -7.046 -2.079 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.591 -6.966 -2.855 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.598 -5.533 -2.678 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.456 -5.733 -0.369 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.682 -7.471 -0.390 1.00 0.00 H new ATOM 412 N THR A 73 8.916 -7.721 -5.058 1.00 0.00 N ATOM 413 CA THR A 73 8.684 -7.575 -6.490 1.00 0.00 C ATOM 414 C THR A 73 7.193 -7.525 -6.802 1.00 0.00 C ATOM 415 O THR A 73 6.767 -6.839 -7.731 1.00 0.00 O ATOM 416 CB THR A 73 9.324 -8.730 -7.284 1.00 0.00 C ATOM 417 OG1 THR A 73 10.740 -8.746 -7.068 1.00 0.00 O ATOM 418 CG2 THR A 73 9.034 -8.590 -8.771 1.00 0.00 C ATOM 0 H THR A 73 9.721 -8.299 -4.818 1.00 0.00 H new ATOM 0 HA THR A 73 9.148 -6.636 -6.791 1.00 0.00 H new ATOM 0 HB THR A 73 8.892 -9.667 -6.933 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.140 -9.484 -7.574 1.00 0.00 H new ATOM 0 HG21 THR A 73 9.496 -9.417 -9.311 1.00 0.00 H new ATOM 0 HG22 THR A 73 7.956 -8.606 -8.935 1.00 0.00 H new ATOM 0 HG23 THR A 73 9.442 -7.647 -9.134 1.00 0.00 H new ATOM 426 N GLU A 74 6.404 -8.255 -6.019 1.00 0.00 N ATOM 427 CA GLU A 74 4.959 -8.292 -6.214 1.00 0.00 C ATOM 428 C GLU A 74 4.337 -6.927 -5.933 1.00 0.00 C ATOM 429 O GLU A 74 3.699 -6.333 -6.803 1.00 0.00 O ATOM 430 CB GLU A 74 4.327 -9.349 -5.307 1.00 0.00 C ATOM 431 CG GLU A 74 4.405 -10.759 -5.869 1.00 0.00 C ATOM 432 CD GLU A 74 3.252 -11.081 -6.799 1.00 0.00 C ATOM 433 OE1 GLU A 74 3.184 -10.476 -7.890 1.00 0.00 O ATOM 434 OE2 GLU A 74 2.418 -11.936 -6.438 1.00 0.00 O ATOM 0 H GLU A 74 6.741 -8.828 -5.245 1.00 0.00 H new ATOM 0 HA GLU A 74 4.765 -8.553 -7.254 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.822 -9.326 -4.336 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.281 -9.092 -5.137 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.345 -10.880 -6.407 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.414 -11.474 -5.046 1.00 0.00 H new ATOM 441 N VAL A 75 4.527 -6.436 -4.713 1.00 0.00 N ATOM 442 CA VAL A 75 3.985 -5.142 -4.316 1.00 0.00 C ATOM 443 C VAL A 75 4.652 -4.008 -5.087 1.00 0.00 C ATOM 444 O VAL A 75 4.062 -2.944 -5.278 1.00 0.00 O ATOM 445 CB VAL A 75 4.166 -4.897 -2.807 1.00 0.00 C ATOM 446 CG1 VAL A 75 3.338 -3.702 -2.356 1.00 0.00 C ATOM 447 CG2 VAL A 75 3.793 -6.142 -2.017 1.00 0.00 C ATOM 0 H VAL A 75 5.053 -6.915 -3.982 1.00 0.00 H new ATOM 0 HA VAL A 75 2.920 -5.160 -4.548 1.00 0.00 H new ATOM 0 HB VAL A 75 5.216 -4.674 -2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.479 -3.544 -1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.657 -2.812 -2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.284 -3.892 -2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.927 -5.951 -0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.751 -6.398 -2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.433 -6.971 -2.320 1.00 0.00 H new ATOM 457 N ILE A 76 5.882 -4.244 -5.529 1.00 0.00 N ATOM 458 CA ILE A 76 6.629 -3.242 -6.281 1.00 0.00 C ATOM 459 C ILE A 76 6.079 -3.096 -7.696 1.00 0.00 C ATOM 460 O ILE A 76 5.817 -1.986 -8.159 1.00 0.00 O ATOM 461 CB ILE A 76 8.126 -3.596 -6.358 1.00 0.00 C ATOM 462 CG1 ILE A 76 8.724 -3.686 -4.953 1.00 0.00 C ATOM 463 CG2 ILE A 76 8.871 -2.564 -7.191 1.00 0.00 C ATOM 464 CD1 ILE A 76 10.107 -4.296 -4.922 1.00 0.00 C ATOM 0 H ILE A 76 6.383 -5.120 -5.380 1.00 0.00 H new ATOM 0 HA ILE A 76 6.515 -2.297 -5.749 1.00 0.00 H new ATOM 0 HB ILE A 76 8.230 -4.568 -6.840 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.767 -2.686 -4.521 1.00 0.00 H new ATOM 0 HG13 ILE A 76 8.061 -4.278 -4.322 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.928 -2.827 -7.237 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.458 -2.544 -8.200 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.762 -1.580 -6.735 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.468 -4.328 -3.894 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.067 -5.308 -5.324 1.00 0.00 H new ATOM 0 HD13 ILE A 76 10.785 -3.692 -5.526 1.00 0.00 H new ATOM 476 N ALA A 77 5.905 -4.223 -8.377 1.00 0.00 N ATOM 477 CA ALA A 77 5.383 -4.221 -9.738 1.00 0.00 C ATOM 478 C ALA A 77 3.937 -3.739 -9.770 1.00 0.00 C ATOM 479 O ALA A 77 3.390 -3.452 -10.835 1.00 0.00 O ATOM 480 CB ALA A 77 5.492 -5.610 -10.348 1.00 0.00 C ATOM 0 H ALA A 77 6.118 -5.150 -8.008 1.00 0.00 H new ATOM 0 HA ALA A 77 5.983 -3.529 -10.329 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.098 -5.593 -11.364 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.538 -5.917 -10.369 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.918 -6.317 -9.748 1.00 0.00 H new ATOM 486 N LEU A 78 3.320 -3.655 -8.596 1.00 0.00 N ATOM 487 CA LEU A 78 1.935 -3.208 -8.490 1.00 0.00 C ATOM 488 C LEU A 78 1.863 -1.700 -8.272 1.00 0.00 C ATOM 489 O LEU A 78 0.899 -1.050 -8.673 1.00 0.00 O ATOM 490 CB LEU A 78 1.232 -3.934 -7.341 1.00 0.00 C ATOM 491 CG LEU A 78 0.958 -5.423 -7.555 1.00 0.00 C ATOM 492 CD1 LEU A 78 0.700 -6.114 -6.226 1.00 0.00 C ATOM 493 CD2 LEU A 78 -0.221 -5.618 -8.497 1.00 0.00 C ATOM 0 H LEU A 78 3.757 -3.890 -7.705 1.00 0.00 H new ATOM 0 HA LEU A 78 1.430 -3.445 -9.427 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.838 -3.822 -6.442 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.282 -3.434 -7.149 1.00 0.00 H new ATOM 0 HG LEU A 78 1.840 -5.874 -8.010 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.507 -7.173 -6.398 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.573 -6.004 -5.583 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.166 -5.661 -5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.402 -6.684 -8.638 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.109 -5.153 -8.069 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.002 -5.158 -9.459 1.00 0.00 H new ATOM 505 N GLY A 79 2.894 -1.149 -7.638 1.00 0.00 N ATOM 506 CA GLY A 79 2.930 0.279 -7.381 1.00 0.00 C ATOM 507 C GLY A 79 3.794 1.026 -8.377 1.00 0.00 C ATOM 508 O GLY A 79 3.792 2.257 -8.413 1.00 0.00 O ATOM 0 H GLY A 79 3.705 -1.666 -7.298 1.00 0.00 H new ATOM 0 HA2 GLY A 79 1.916 0.677 -7.415 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.308 0.454 -6.374 1.00 0.00 H new ATOM 512 N LEU A 80 4.537 0.281 -9.188 1.00 0.00 N ATOM 513 CA LEU A 80 5.412 0.881 -10.189 1.00 0.00 C ATOM 514 C LEU A 80 4.614 1.347 -11.403 1.00 0.00 C ATOM 515 O LEU A 80 4.845 2.423 -11.953 1.00 0.00 O ATOM 516 CB LEU A 80 6.485 -0.121 -10.625 1.00 0.00 C ATOM 517 CG LEU A 80 7.689 -0.262 -9.692 1.00 0.00 C ATOM 518 CD1 LEU A 80 8.568 -1.424 -10.129 1.00 0.00 C ATOM 519 CD2 LEU A 80 8.490 1.031 -9.656 1.00 0.00 C ATOM 0 H LEU A 80 4.551 -0.739 -9.172 1.00 0.00 H new ATOM 0 HA LEU A 80 5.894 1.749 -9.739 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.018 -1.100 -10.733 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.847 0.170 -11.611 1.00 0.00 H new ATOM 0 HG LEU A 80 7.324 -0.467 -8.686 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.420 -1.510 -9.454 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.990 -2.348 -10.103 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.925 -1.248 -11.144 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.343 0.912 -8.987 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.846 1.267 -10.659 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.856 1.842 -9.296 1.00 0.00 H new ATOM 531 N PRO A 81 3.648 0.518 -11.829 1.00 0.00 N ATOM 532 CA PRO A 81 2.794 0.825 -12.980 1.00 0.00 C ATOM 533 C PRO A 81 2.223 2.238 -12.918 1.00 0.00 C ATOM 534 O PRO A 81 1.977 2.865 -13.948 1.00 0.00 O ATOM 535 CB PRO A 81 1.671 -0.211 -12.874 1.00 0.00 C ATOM 536 CG PRO A 81 2.278 -1.353 -12.136 1.00 0.00 C ATOM 537 CD PRO A 81 3.317 -0.782 -11.221 1.00 0.00 C ATOM 0 HA PRO A 81 3.345 0.782 -13.920 1.00 0.00 H new ATOM 0 HB2 PRO A 81 0.810 0.192 -12.341 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.321 -0.518 -13.860 1.00 0.00 H new ATOM 0 HG2 PRO A 81 1.519 -1.892 -11.569 1.00 0.00 H new ATOM 0 HG3 PRO A 81 2.725 -2.066 -12.829 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.935 -0.663 -10.207 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.193 -1.428 -11.158 1.00 0.00 H new ATOM 545 N PHE A 82 2.015 2.734 -11.703 1.00 0.00 N ATOM 546 CA PHE A 82 1.473 4.073 -11.507 1.00 0.00 C ATOM 547 C PHE A 82 2.590 5.113 -11.473 1.00 0.00 C ATOM 548 O PHE A 82 2.522 6.135 -12.155 1.00 0.00 O ATOM 549 CB PHE A 82 0.666 4.134 -10.208 1.00 0.00 C ATOM 550 CG PHE A 82 -0.439 3.118 -10.140 1.00 0.00 C ATOM 551 CD1 PHE A 82 -1.700 3.414 -10.630 1.00 0.00 C ATOM 552 CD2 PHE A 82 -0.215 1.868 -9.587 1.00 0.00 C ATOM 553 CE1 PHE A 82 -2.718 2.481 -10.569 1.00 0.00 C ATOM 554 CE2 PHE A 82 -1.228 0.931 -9.523 1.00 0.00 C ATOM 555 CZ PHE A 82 -2.482 1.238 -10.016 1.00 0.00 C ATOM 0 H PHE A 82 2.214 2.229 -10.839 1.00 0.00 H new ATOM 0 HA PHE A 82 0.816 4.298 -12.347 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.339 3.984 -9.364 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.239 5.131 -10.101 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.890 4.384 -11.064 1.00 0.00 H new ATOM 0 HD2 PHE A 82 0.764 1.623 -9.201 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.697 2.724 -10.954 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.040 -0.040 -9.088 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.276 0.507 -9.969 1.00 0.00 H new ATOM 565 N GLY A 83 3.618 4.843 -10.674 1.00 0.00 N ATOM 566 CA GLY A 83 4.735 5.764 -10.566 1.00 0.00 C ATOM 567 C GLY A 83 6.035 5.061 -10.231 1.00 0.00 C ATOM 568 O GLY A 83 6.279 3.941 -10.680 1.00 0.00 O ATOM 0 H GLY A 83 3.697 4.004 -10.100 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.849 6.304 -11.506 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.518 6.505 -9.797 1.00 0.00 H new ATOM 572 N LYS A 84 6.876 5.720 -9.441 1.00 0.00 N ATOM 573 CA LYS A 84 8.159 5.153 -9.045 1.00 0.00 C ATOM 574 C LYS A 84 8.193 4.877 -7.546 1.00 0.00 C ATOM 575 O LYS A 84 7.573 5.593 -6.758 1.00 0.00 O ATOM 576 CB LYS A 84 9.298 6.101 -9.427 1.00 0.00 C ATOM 577 CG LYS A 84 10.656 5.659 -8.910 1.00 0.00 C ATOM 578 CD LYS A 84 11.292 4.628 -9.827 1.00 0.00 C ATOM 579 CE LYS A 84 12.761 4.417 -9.496 1.00 0.00 C ATOM 580 NZ LYS A 84 13.282 3.143 -10.062 1.00 0.00 N ATOM 0 H LYS A 84 6.691 6.649 -9.062 1.00 0.00 H new ATOM 0 HA LYS A 84 8.289 4.208 -9.573 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.341 6.184 -10.513 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.077 7.096 -9.040 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.313 6.525 -8.823 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.547 5.240 -7.910 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.758 3.682 -9.737 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.195 4.952 -10.863 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.344 5.252 -9.885 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.892 4.414 -8.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.286 3.038 -9.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.743 2.344 -9.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 13.181 3.156 -11.097 1.00 0.00 H new ATOM 594 N VAL A 85 8.922 3.836 -7.156 1.00 0.00 N ATOM 595 CA VAL A 85 9.040 3.468 -5.750 1.00 0.00 C ATOM 596 C VAL A 85 10.369 3.938 -5.168 1.00 0.00 C ATOM 597 O VAL A 85 11.434 3.660 -5.720 1.00 0.00 O ATOM 598 CB VAL A 85 8.915 1.946 -5.557 1.00 0.00 C ATOM 599 CG1 VAL A 85 8.808 1.601 -4.079 1.00 0.00 C ATOM 600 CG2 VAL A 85 7.719 1.407 -6.327 1.00 0.00 C ATOM 0 H VAL A 85 9.440 3.232 -7.794 1.00 0.00 H new ATOM 0 HA VAL A 85 8.223 3.961 -5.223 1.00 0.00 H new ATOM 0 HB VAL A 85 9.814 1.473 -5.951 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.720 0.521 -3.963 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.699 1.951 -3.558 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.927 2.084 -3.655 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.646 0.330 -6.179 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.808 1.885 -5.966 1.00 0.00 H new ATOM 0 HG23 VAL A 85 7.844 1.620 -7.389 1.00 0.00 H new ATOM 610 N THR A 86 10.299 4.649 -4.047 1.00 0.00 N ATOM 611 CA THR A 86 11.496 5.157 -3.389 1.00 0.00 C ATOM 612 C THR A 86 11.721 4.468 -2.048 1.00 0.00 C ATOM 613 O THR A 86 12.855 4.165 -1.678 1.00 0.00 O ATOM 614 CB THR A 86 11.411 6.678 -3.165 1.00 0.00 C ATOM 615 OG1 THR A 86 10.175 7.010 -2.523 1.00 0.00 O ATOM 616 CG2 THR A 86 11.520 7.427 -4.484 1.00 0.00 C ATOM 0 H THR A 86 9.426 4.886 -3.576 1.00 0.00 H new ATOM 0 HA THR A 86 12.336 4.941 -4.050 1.00 0.00 H new ATOM 0 HB THR A 86 12.243 6.976 -2.527 1.00 0.00 H new ATOM 0 HG1 THR A 86 10.129 7.979 -2.383 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.457 8.499 -4.300 1.00 0.00 H new ATOM 0 HG22 THR A 86 12.475 7.195 -4.956 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.706 7.124 -5.143 1.00 0.00 H new ATOM 624 N ASN A 87 10.634 4.224 -1.324 1.00 0.00 N ATOM 625 CA ASN A 87 10.713 3.570 -0.023 1.00 0.00 C ATOM 626 C ASN A 87 9.574 2.572 0.155 1.00 0.00 C ATOM 627 O ASN A 87 8.435 2.840 -0.231 1.00 0.00 O ATOM 628 CB ASN A 87 10.674 4.612 1.097 1.00 0.00 C ATOM 629 CG ASN A 87 12.055 5.120 1.464 1.00 0.00 C ATOM 630 OD1 ASN A 87 13.061 4.462 1.197 1.00 0.00 O ATOM 631 ND2 ASN A 87 12.108 6.296 2.078 1.00 0.00 N ATOM 0 H ASN A 87 9.688 4.469 -1.616 1.00 0.00 H new ATOM 0 HA ASN A 87 11.657 3.028 0.027 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.052 5.452 0.787 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.204 4.176 1.979 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.009 6.690 2.349 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.248 6.806 2.279 1.00 0.00 H new ATOM 638 N ILE A 88 9.888 1.422 0.742 1.00 0.00 N ATOM 639 CA ILE A 88 8.889 0.385 0.971 1.00 0.00 C ATOM 640 C ILE A 88 9.085 -0.274 2.332 1.00 0.00 C ATOM 641 O ILE A 88 10.215 -0.464 2.786 1.00 0.00 O ATOM 642 CB ILE A 88 8.939 -0.697 -0.123 1.00 0.00 C ATOM 643 CG1 ILE A 88 8.004 -1.856 0.232 1.00 0.00 C ATOM 644 CG2 ILE A 88 10.364 -1.198 -0.308 1.00 0.00 C ATOM 645 CD1 ILE A 88 8.163 -3.058 -0.672 1.00 0.00 C ATOM 0 H ILE A 88 10.825 1.185 1.067 1.00 0.00 H new ATOM 0 HA ILE A 88 7.915 0.873 0.942 1.00 0.00 H new ATOM 0 HB ILE A 88 8.603 -0.258 -1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 88 8.189 -2.159 1.262 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.972 -1.508 0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 88 10.383 -1.963 -1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 88 11.007 -0.368 -0.600 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.725 -1.623 0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.470 -3.840 -0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.949 -2.770 -1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 88 9.185 -3.431 -0.605 1.00 0.00 H new ATOM 657 N LEU A 89 7.979 -0.623 2.980 1.00 0.00 N ATOM 658 CA LEU A 89 8.029 -1.264 4.289 1.00 0.00 C ATOM 659 C LEU A 89 7.247 -2.574 4.284 1.00 0.00 C ATOM 660 O LEU A 89 6.031 -2.582 4.099 1.00 0.00 O ATOM 661 CB LEU A 89 7.467 -0.326 5.359 1.00 0.00 C ATOM 662 CG LEU A 89 7.857 -0.645 6.803 1.00 0.00 C ATOM 663 CD1 LEU A 89 9.266 -0.156 7.096 1.00 0.00 C ATOM 664 CD2 LEU A 89 6.862 -0.025 7.773 1.00 0.00 C ATOM 0 H LEU A 89 7.037 -0.473 2.620 1.00 0.00 H new ATOM 0 HA LEU A 89 9.071 -1.485 4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.793 0.689 5.131 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.379 -0.335 5.287 1.00 0.00 H new ATOM 0 HG LEU A 89 7.836 -1.727 6.934 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.526 -0.392 8.128 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.969 -0.648 6.423 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.315 0.923 6.947 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.155 -0.262 8.796 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.850 1.057 7.640 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.867 -0.425 7.579 1.00 0.00 H new ATOM 676 N MET A 90 7.956 -3.680 4.490 1.00 0.00 N ATOM 677 CA MET A 90 7.327 -4.996 4.513 1.00 0.00 C ATOM 678 C MET A 90 7.628 -5.719 5.821 1.00 0.00 C ATOM 679 O MET A 90 8.790 -5.905 6.187 1.00 0.00 O ATOM 680 CB MET A 90 7.812 -5.836 3.329 1.00 0.00 C ATOM 681 CG MET A 90 6.945 -5.693 2.088 1.00 0.00 C ATOM 682 SD MET A 90 7.276 -6.971 0.860 1.00 0.00 S ATOM 683 CE MET A 90 6.111 -8.234 1.362 1.00 0.00 C ATOM 0 H MET A 90 8.964 -3.691 4.643 1.00 0.00 H new ATOM 0 HA MET A 90 6.249 -4.858 4.435 1.00 0.00 H new ATOM 0 HB2 MET A 90 8.834 -5.548 3.084 1.00 0.00 H new ATOM 0 HB3 MET A 90 7.839 -6.885 3.625 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.895 -5.735 2.376 1.00 0.00 H new ATOM 0 HG3 MET A 90 7.114 -4.713 1.642 1.00 0.00 H new ATOM 0 HE1 MET A 90 6.565 -9.217 1.239 1.00 0.00 H new ATOM 0 HE2 MET A 90 5.843 -8.086 2.408 1.00 0.00 H new ATOM 0 HE3 MET A 90 5.215 -8.169 0.745 1.00 0.00 H new ATOM 693 N LEU A 91 6.576 -6.125 6.524 1.00 0.00 N ATOM 694 CA LEU A 91 6.728 -6.828 7.792 1.00 0.00 C ATOM 695 C LEU A 91 7.232 -8.250 7.570 1.00 0.00 C ATOM 696 O LEU A 91 6.697 -8.989 6.742 1.00 0.00 O ATOM 697 CB LEU A 91 5.395 -6.859 8.544 1.00 0.00 C ATOM 698 CG LEU A 91 5.024 -5.585 9.304 1.00 0.00 C ATOM 699 CD1 LEU A 91 3.572 -5.637 9.754 1.00 0.00 C ATOM 700 CD2 LEU A 91 5.948 -5.389 10.497 1.00 0.00 C ATOM 0 H LEU A 91 5.608 -5.979 6.237 1.00 0.00 H new ATOM 0 HA LEU A 91 7.464 -6.291 8.390 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.602 -7.075 7.828 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.420 -7.687 9.253 1.00 0.00 H new ATOM 0 HG LEU A 91 5.145 -4.735 8.633 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.325 -4.722 10.293 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.924 -5.730 8.882 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.425 -6.495 10.409 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.670 -4.478 11.027 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.859 -6.242 11.170 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.978 -5.307 10.150 1.00 0.00 H new ATOM 763 N ASN A 95 0.904 -10.190 7.736 1.00 0.00 N ATOM 764 CA ASN A 95 0.493 -9.853 6.378 1.00 0.00 C ATOM 765 C ASN A 95 0.203 -8.360 6.252 1.00 0.00 C ATOM 766 O ASN A 95 -0.938 -7.957 6.027 1.00 0.00 O ATOM 767 CB ASN A 95 -0.745 -10.659 5.983 1.00 0.00 C ATOM 768 CG ASN A 95 -1.830 -10.610 7.040 1.00 0.00 C ATOM 769 OD1 ASN A 95 -2.332 -11.775 7.428 1.00 0.00 O flip ATOM 770 ND2 ASN A 95 -2.211 -9.534 7.503 1.00 0.00 N flip ATOM 0 HA ASN A 95 1.312 -10.104 5.704 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -1.140 -10.274 5.043 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.459 -11.696 5.808 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -1.796 -8.662 7.175 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -2.941 -9.515 8.215 1.00 0.00 H new ATOM 777 N GLN A 96 1.243 -7.546 6.399 1.00 0.00 N ATOM 778 CA GLN A 96 1.099 -6.098 6.301 1.00 0.00 C ATOM 779 C GLN A 96 2.373 -5.460 5.756 1.00 0.00 C ATOM 780 O GLN A 96 3.481 -5.883 6.086 1.00 0.00 O ATOM 781 CB GLN A 96 0.763 -5.504 7.670 1.00 0.00 C ATOM 782 CG GLN A 96 -0.285 -6.296 8.435 1.00 0.00 C ATOM 783 CD GLN A 96 -0.785 -5.565 9.666 1.00 0.00 C ATOM 784 OE1 GLN A 96 -0.026 -5.308 10.600 1.00 0.00 O ATOM 785 NE2 GLN A 96 -2.070 -5.226 9.672 1.00 0.00 N ATOM 0 H GLN A 96 2.194 -7.864 6.586 1.00 0.00 H new ATOM 0 HA GLN A 96 0.283 -5.885 5.610 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.673 -5.450 8.267 1.00 0.00 H new ATOM 0 HB3 GLN A 96 0.408 -4.482 7.536 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -1.127 -6.508 7.776 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.137 -7.256 8.733 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.663 -5.459 8.875 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -2.463 -4.732 10.473 1.00 0.00 H new ATOM 794 N ALA A 97 2.207 -4.440 4.922 1.00 0.00 N ATOM 795 CA ALA A 97 3.344 -3.742 4.332 1.00 0.00 C ATOM 796 C ALA A 97 2.922 -2.393 3.759 1.00 0.00 C ATOM 797 O ALA A 97 1.884 -2.280 3.109 1.00 0.00 O ATOM 798 CB ALA A 97 3.986 -4.598 3.251 1.00 0.00 C ATOM 0 H ALA A 97 1.297 -4.078 4.639 1.00 0.00 H new ATOM 0 HA ALA A 97 4.076 -3.561 5.119 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.833 -4.064 2.820 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.331 -5.536 3.687 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.254 -4.808 2.471 1.00 0.00 H new ATOM 804 N PHE A 98 3.735 -1.371 4.006 1.00 0.00 N ATOM 805 CA PHE A 98 3.447 -0.028 3.517 1.00 0.00 C ATOM 806 C PHE A 98 4.298 0.300 2.293 1.00 0.00 C ATOM 807 O PHE A 98 5.361 -0.287 2.088 1.00 0.00 O ATOM 808 CB PHE A 98 3.696 1.004 4.618 1.00 0.00 C ATOM 809 CG PHE A 98 3.064 0.644 5.932 1.00 0.00 C ATOM 810 CD1 PHE A 98 3.706 -0.211 6.814 1.00 0.00 C ATOM 811 CD2 PHE A 98 1.828 1.160 6.286 1.00 0.00 C ATOM 812 CE1 PHE A 98 3.126 -0.545 8.023 1.00 0.00 C ATOM 813 CE2 PHE A 98 1.244 0.831 7.494 1.00 0.00 C ATOM 814 CZ PHE A 98 1.894 -0.022 8.364 1.00 0.00 C ATOM 0 H PHE A 98 4.599 -1.448 4.542 1.00 0.00 H new ATOM 0 HA PHE A 98 2.397 0.008 3.227 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.770 1.119 4.760 1.00 0.00 H new ATOM 0 HB3 PHE A 98 3.312 1.971 4.292 1.00 0.00 H new ATOM 0 HD1 PHE A 98 4.671 -0.621 6.553 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.315 1.827 5.610 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.635 -1.214 8.700 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.280 1.241 7.758 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.440 -0.280 9.309 1.00 0.00 H new ATOM 824 N LEU A 99 3.823 1.241 1.486 1.00 0.00 N ATOM 825 CA LEU A 99 4.539 1.648 0.281 1.00 0.00 C ATOM 826 C LEU A 99 4.703 3.164 0.232 1.00 0.00 C ATOM 827 O LEU A 99 3.805 3.907 0.622 1.00 0.00 O ATOM 828 CB LEU A 99 3.798 1.162 -0.966 1.00 0.00 C ATOM 829 CG LEU A 99 4.604 1.153 -2.265 1.00 0.00 C ATOM 830 CD1 LEU A 99 5.722 0.123 -2.192 1.00 0.00 C ATOM 831 CD2 LEU A 99 3.697 0.875 -3.454 1.00 0.00 C ATOM 0 H LEU A 99 2.946 1.737 1.643 1.00 0.00 H new ATOM 0 HA LEU A 99 5.530 1.194 0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.437 0.151 -0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.920 1.792 -1.111 1.00 0.00 H new ATOM 0 HG LEU A 99 5.052 2.137 -2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.285 0.131 -3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.388 0.367 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.295 -0.867 -2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.288 0.872 -4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.219 -0.097 -3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.933 1.650 -3.518 1.00 0.00 H new ATOM 843 N GLU A 100 5.856 3.614 -0.253 1.00 0.00 N ATOM 844 CA GLU A 100 6.137 5.042 -0.355 1.00 0.00 C ATOM 845 C GLU A 100 6.681 5.391 -1.737 1.00 0.00 C ATOM 846 O GLU A 100 7.806 5.030 -2.083 1.00 0.00 O ATOM 847 CB GLU A 100 7.138 5.465 0.721 1.00 0.00 C ATOM 848 CG GLU A 100 7.392 6.962 0.761 1.00 0.00 C ATOM 849 CD GLU A 100 7.977 7.421 2.082 1.00 0.00 C ATOM 850 OE1 GLU A 100 9.209 7.305 2.256 1.00 0.00 O ATOM 851 OE2 GLU A 100 7.206 7.894 2.942 1.00 0.00 O ATOM 0 H GLU A 100 6.610 3.011 -0.581 1.00 0.00 H new ATOM 0 HA GLU A 100 5.203 5.582 -0.204 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.770 5.141 1.695 1.00 0.00 H new ATOM 0 HB3 GLU A 100 8.083 4.949 0.549 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.072 7.233 -0.047 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.456 7.490 0.580 1.00 0.00 H new ATOM 858 N LEU A 101 5.874 6.096 -2.523 1.00 0.00 N ATOM 859 CA LEU A 101 6.273 6.496 -3.868 1.00 0.00 C ATOM 860 C LEU A 101 6.899 7.886 -3.860 1.00 0.00 C ATOM 861 O LEU A 101 6.831 8.602 -2.861 1.00 0.00 O ATOM 862 CB LEU A 101 5.066 6.473 -4.807 1.00 0.00 C ATOM 863 CG LEU A 101 4.485 5.093 -5.121 1.00 0.00 C ATOM 864 CD1 LEU A 101 3.655 4.585 -3.953 1.00 0.00 C ATOM 865 CD2 LEU A 101 3.648 5.143 -6.391 1.00 0.00 C ATOM 0 H LEU A 101 4.940 6.402 -2.252 1.00 0.00 H new ATOM 0 HA LEU A 101 7.018 5.785 -4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.278 7.085 -4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.352 6.947 -5.746 1.00 0.00 H new ATOM 0 HG LEU A 101 5.311 4.400 -5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.250 3.602 -4.195 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.283 4.510 -3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.836 5.278 -3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.243 4.153 -6.599 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.829 5.850 -6.259 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.272 5.462 -7.226 1.00 0.00 H new ATOM 877 N ALA A 102 7.507 8.262 -4.980 1.00 0.00 N ATOM 878 CA ALA A 102 8.141 9.569 -5.104 1.00 0.00 C ATOM 879 C ALA A 102 7.139 10.691 -4.855 1.00 0.00 C ATOM 880 O ALA A 102 7.350 11.548 -3.996 1.00 0.00 O ATOM 881 CB ALA A 102 8.774 9.721 -6.478 1.00 0.00 C ATOM 0 H ALA A 102 7.574 7.680 -5.815 1.00 0.00 H new ATOM 0 HA ALA A 102 8.922 9.639 -4.347 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.243 10.702 -6.556 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.527 8.946 -6.619 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.006 9.625 -7.245 1.00 0.00 H new ATOM 887 N THR A 103 6.046 10.682 -5.611 1.00 0.00 N ATOM 888 CA THR A 103 5.012 11.700 -5.474 1.00 0.00 C ATOM 889 C THR A 103 3.721 11.103 -4.926 1.00 0.00 C ATOM 890 O THR A 103 3.209 10.117 -5.457 1.00 0.00 O ATOM 891 CB THR A 103 4.715 12.385 -6.822 1.00 0.00 C ATOM 892 OG1 THR A 103 4.153 11.440 -7.739 1.00 0.00 O ATOM 893 CG2 THR A 103 5.983 12.983 -7.416 1.00 0.00 C ATOM 0 H THR A 103 5.854 9.980 -6.326 1.00 0.00 H new ATOM 0 HA THR A 103 5.392 12.443 -4.773 1.00 0.00 H new ATOM 0 HB THR A 103 4.000 13.189 -6.646 1.00 0.00 H new ATOM 0 HG1 THR A 103 3.727 10.713 -7.239 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.749 13.461 -8.367 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.393 13.723 -6.729 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.717 12.193 -7.578 1.00 0.00 H new ATOM 901 N GLU A 104 3.200 11.705 -3.862 1.00 0.00 N ATOM 902 CA GLU A 104 1.969 11.231 -3.243 1.00 0.00 C ATOM 903 C GLU A 104 0.887 10.997 -4.293 1.00 0.00 C ATOM 904 O GLU A 104 0.076 10.079 -4.170 1.00 0.00 O ATOM 905 CB GLU A 104 1.475 12.237 -2.202 1.00 0.00 C ATOM 906 CG GLU A 104 0.092 11.921 -1.658 1.00 0.00 C ATOM 907 CD GLU A 104 -0.458 13.029 -0.782 1.00 0.00 C ATOM 908 OE1 GLU A 104 -0.039 13.122 0.391 1.00 0.00 O ATOM 909 OE2 GLU A 104 -1.308 13.804 -1.269 1.00 0.00 O ATOM 0 H GLU A 104 3.612 12.522 -3.411 1.00 0.00 H new ATOM 0 HA GLU A 104 2.183 10.283 -2.749 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.183 12.268 -1.374 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.462 13.232 -2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.591 11.748 -2.490 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.135 10.996 -1.083 1.00 0.00 H new ATOM 916 N GLU A 105 0.882 11.834 -5.326 1.00 0.00 N ATOM 917 CA GLU A 105 -0.100 11.719 -6.398 1.00 0.00 C ATOM 918 C GLU A 105 -0.222 10.273 -6.872 1.00 0.00 C ATOM 919 O GLU A 105 -1.320 9.720 -6.934 1.00 0.00 O ATOM 920 CB GLU A 105 0.284 12.621 -7.571 1.00 0.00 C ATOM 921 CG GLU A 105 -0.144 14.068 -7.393 1.00 0.00 C ATOM 922 CD GLU A 105 0.735 14.819 -6.411 1.00 0.00 C ATOM 923 OE1 GLU A 105 1.962 14.585 -6.411 1.00 0.00 O ATOM 924 OE2 GLU A 105 0.194 15.641 -5.641 1.00 0.00 O ATOM 0 H GLU A 105 1.547 12.599 -5.443 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.066 12.037 -6.006 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.365 12.585 -7.707 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -0.165 12.228 -8.483 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.117 14.573 -8.359 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -1.177 14.098 -7.047 1.00 0.00 H new ATOM 931 N ALA A 106 0.913 9.669 -7.205 1.00 0.00 N ATOM 932 CA ALA A 106 0.935 8.288 -7.671 1.00 0.00 C ATOM 933 C ALA A 106 0.205 7.368 -6.699 1.00 0.00 C ATOM 934 O ALA A 106 -0.650 6.579 -7.100 1.00 0.00 O ATOM 935 CB ALA A 106 2.370 7.820 -7.868 1.00 0.00 C ATOM 0 H ALA A 106 1.830 10.114 -7.161 1.00 0.00 H new ATOM 0 HA ALA A 106 0.416 8.246 -8.629 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.371 6.787 -8.216 1.00 0.00 H new ATOM 0 HB2 ALA A 106 2.861 8.453 -8.607 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.907 7.885 -6.922 1.00 0.00 H new ATOM 941 N ALA A 107 0.548 7.475 -5.419 1.00 0.00 N ATOM 942 CA ALA A 107 -0.075 6.653 -4.390 1.00 0.00 C ATOM 943 C ALA A 107 -1.593 6.799 -4.416 1.00 0.00 C ATOM 944 O ALA A 107 -2.319 5.809 -4.502 1.00 0.00 O ATOM 945 CB ALA A 107 0.470 7.023 -3.018 1.00 0.00 C ATOM 0 H ALA A 107 1.254 8.123 -5.071 1.00 0.00 H new ATOM 0 HA ALA A 107 0.167 5.610 -4.596 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.004 6.401 -2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.548 6.861 -2.999 1.00 0.00 H new ATOM 0 HB3 ALA A 107 0.257 8.072 -2.813 1.00 0.00 H new ATOM 951 N ILE A 108 -2.065 8.039 -4.340 1.00 0.00 N ATOM 952 CA ILE A 108 -3.496 8.314 -4.355 1.00 0.00 C ATOM 953 C ILE A 108 -4.162 7.692 -5.578 1.00 0.00 C ATOM 954 O ILE A 108 -5.179 7.007 -5.465 1.00 0.00 O ATOM 955 CB ILE A 108 -3.779 9.827 -4.344 1.00 0.00 C ATOM 956 CG1 ILE A 108 -3.280 10.451 -3.038 1.00 0.00 C ATOM 957 CG2 ILE A 108 -5.267 10.090 -4.528 1.00 0.00 C ATOM 958 CD1 ILE A 108 -3.274 11.965 -3.056 1.00 0.00 C ATOM 0 H ILE A 108 -1.477 8.869 -4.267 1.00 0.00 H new ATOM 0 HA ILE A 108 -3.912 7.869 -3.451 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.244 10.288 -5.174 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.909 10.108 -2.217 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -2.270 10.094 -2.836 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -5.451 11.164 -4.518 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -5.595 9.675 -5.481 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -5.823 9.619 -3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.909 12.339 -2.099 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -2.622 12.317 -3.856 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -4.287 12.331 -3.226 1.00 0.00 H new ATOM 970 N THR A 109 -3.580 7.935 -6.748 1.00 0.00 N ATOM 971 CA THR A 109 -4.116 7.399 -7.993 1.00 0.00 C ATOM 972 C THR A 109 -4.185 5.878 -7.953 1.00 0.00 C ATOM 973 O THR A 109 -5.170 5.279 -8.385 1.00 0.00 O ATOM 974 CB THR A 109 -3.266 7.831 -9.203 1.00 0.00 C ATOM 975 OG1 THR A 109 -3.228 9.260 -9.290 1.00 0.00 O ATOM 976 CG2 THR A 109 -3.829 7.255 -10.493 1.00 0.00 C ATOM 0 H THR A 109 -2.738 8.499 -6.859 1.00 0.00 H new ATOM 0 HA THR A 109 -5.123 7.803 -8.102 1.00 0.00 H new ATOM 0 HB THR A 109 -2.255 7.449 -9.063 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.632 9.614 -8.597 1.00 0.00 H new ATOM 0 HG21 THR A 109 -3.212 7.574 -11.333 1.00 0.00 H new ATOM 0 HG22 THR A 109 -3.830 6.167 -10.436 1.00 0.00 H new ATOM 0 HG23 THR A 109 -4.849 7.611 -10.636 1.00 0.00 H new ATOM 984 N MET A 110 -3.134 5.255 -7.430 1.00 0.00 N ATOM 985 CA MET A 110 -3.076 3.802 -7.331 1.00 0.00 C ATOM 986 C MET A 110 -4.320 3.255 -6.637 1.00 0.00 C ATOM 987 O MET A 110 -5.005 2.381 -7.167 1.00 0.00 O ATOM 988 CB MET A 110 -1.821 3.370 -6.569 1.00 0.00 C ATOM 989 CG MET A 110 -1.679 1.862 -6.439 1.00 0.00 C ATOM 990 SD MET A 110 -2.466 1.216 -4.952 1.00 0.00 S ATOM 991 CE MET A 110 -1.227 0.048 -4.394 1.00 0.00 C ATOM 0 H MET A 110 -2.310 5.735 -7.068 1.00 0.00 H new ATOM 0 HA MET A 110 -3.036 3.395 -8.341 1.00 0.00 H new ATOM 0 HB2 MET A 110 -0.942 3.767 -7.077 1.00 0.00 H new ATOM 0 HB3 MET A 110 -1.840 3.812 -5.573 1.00 0.00 H new ATOM 0 HG2 MET A 110 -2.117 1.383 -7.315 1.00 0.00 H new ATOM 0 HG3 MET A 110 -0.621 1.600 -6.428 1.00 0.00 H new ATOM 0 HE1 MET A 110 -1.569 -0.436 -3.479 1.00 0.00 H new ATOM 0 HE2 MET A 110 -1.065 -0.706 -5.164 1.00 0.00 H new ATOM 0 HE3 MET A 110 -0.293 0.574 -4.199 1.00 0.00 H new ATOM 1001 N VAL A 111 -4.606 3.775 -5.448 1.00 0.00 N ATOM 1002 CA VAL A 111 -5.768 3.339 -4.681 1.00 0.00 C ATOM 1003 C VAL A 111 -7.057 3.570 -5.461 1.00 0.00 C ATOM 1004 O VAL A 111 -7.956 2.731 -5.455 1.00 0.00 O ATOM 1005 CB VAL A 111 -5.858 4.074 -3.332 1.00 0.00 C ATOM 1006 CG1 VAL A 111 -7.184 3.776 -2.648 1.00 0.00 C ATOM 1007 CG2 VAL A 111 -4.689 3.690 -2.436 1.00 0.00 C ATOM 0 H VAL A 111 -4.049 4.499 -4.994 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.644 2.272 -4.496 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.806 5.147 -3.519 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -7.229 4.304 -1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -8.004 4.106 -3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -7.270 2.704 -2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.769 4.219 -1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.707 2.615 -2.255 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.753 3.960 -2.924 1.00 0.00 H new ATOM 1017 N ASN A 112 -7.140 4.715 -6.131 1.00 0.00 N ATOM 1018 CA ASN A 112 -8.321 5.057 -6.917 1.00 0.00 C ATOM 1019 C ASN A 112 -8.540 4.045 -8.038 1.00 0.00 C ATOM 1020 O ASN A 112 -9.598 3.422 -8.127 1.00 0.00 O ATOM 1021 CB ASN A 112 -8.180 6.462 -7.502 1.00 0.00 C ATOM 1022 CG ASN A 112 -7.792 7.490 -6.456 1.00 0.00 C ATOM 1023 OD1 ASN A 112 -6.853 8.262 -6.646 1.00 0.00 O ATOM 1024 ND2 ASN A 112 -8.516 7.502 -5.343 1.00 0.00 N ATOM 0 H ASN A 112 -6.404 5.421 -6.146 1.00 0.00 H new ATOM 0 HA ASN A 112 -9.187 5.032 -6.256 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -7.428 6.450 -8.291 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -9.122 6.756 -7.964 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -8.302 8.170 -4.603 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -9.286 6.843 -5.228 1.00 0.00 H new ATOM 1031 N TYR A 113 -7.535 3.889 -8.891 1.00 0.00 N ATOM 1032 CA TYR A 113 -7.618 2.956 -10.007 1.00 0.00 C ATOM 1033 C TYR A 113 -8.103 1.587 -9.538 1.00 0.00 C ATOM 1034 O TYR A 113 -8.895 0.931 -10.215 1.00 0.00 O ATOM 1035 CB TYR A 113 -6.255 2.820 -10.689 1.00 0.00 C ATOM 1036 CG TYR A 113 -6.198 1.711 -11.715 1.00 0.00 C ATOM 1037 CD1 TYR A 113 -6.715 1.894 -12.993 1.00 0.00 C ATOM 1038 CD2 TYR A 113 -5.631 0.481 -11.408 1.00 0.00 C ATOM 1039 CE1 TYR A 113 -6.666 0.884 -13.933 1.00 0.00 C ATOM 1040 CE2 TYR A 113 -5.576 -0.534 -12.343 1.00 0.00 C ATOM 1041 CZ TYR A 113 -6.096 -0.329 -13.604 1.00 0.00 C ATOM 1042 OH TYR A 113 -6.044 -1.339 -14.537 1.00 0.00 O ATOM 0 H TYR A 113 -6.653 4.397 -8.831 1.00 0.00 H new ATOM 0 HA TYR A 113 -8.338 3.351 -10.724 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -6.005 3.764 -11.173 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -5.495 2.640 -9.929 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -7.162 2.842 -13.254 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -5.226 0.315 -10.421 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -7.072 1.042 -14.921 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -5.128 -1.483 -12.088 1.00 0.00 H new ATOM 0 HH TYR A 113 -5.610 -2.125 -14.144 1.00 0.00 H new ATOM 1052 N TYR A 114 -7.621 1.162 -8.376 1.00 0.00 N ATOM 1053 CA TYR A 114 -8.003 -0.128 -7.816 1.00 0.00 C ATOM 1054 C TYR A 114 -9.379 -0.053 -7.162 1.00 0.00 C ATOM 1055 O TYR A 114 -10.050 -1.069 -6.983 1.00 0.00 O ATOM 1056 CB TYR A 114 -6.965 -0.591 -6.791 1.00 0.00 C ATOM 1057 CG TYR A 114 -5.732 -1.208 -7.416 1.00 0.00 C ATOM 1058 CD1 TYR A 114 -5.822 -2.359 -8.187 1.00 0.00 C ATOM 1059 CD2 TYR A 114 -4.478 -0.637 -7.233 1.00 0.00 C ATOM 1060 CE1 TYR A 114 -4.699 -2.926 -8.757 1.00 0.00 C ATOM 1061 CE2 TYR A 114 -3.350 -1.196 -7.800 1.00 0.00 C ATOM 1062 CZ TYR A 114 -3.465 -2.341 -8.561 1.00 0.00 C ATOM 1063 OH TYR A 114 -2.345 -2.902 -9.129 1.00 0.00 O ATOM 0 H TYR A 114 -6.965 1.693 -7.803 1.00 0.00 H new ATOM 0 HA TYR A 114 -8.047 -0.850 -8.632 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -6.665 0.260 -6.179 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -7.426 -1.318 -6.122 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -6.787 -2.819 -8.344 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -4.384 0.259 -6.637 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -4.786 -3.822 -9.353 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -2.383 -0.739 -7.649 1.00 0.00 H new ATOM 0 HH TYR A 114 -1.557 -2.368 -8.896 1.00 0.00 H new ATOM 1073 N SER A 115 -9.793 1.160 -6.808 1.00 0.00 N ATOM 1074 CA SER A 115 -11.089 1.369 -6.173 1.00 0.00 C ATOM 1075 C SER A 115 -12.185 0.603 -6.907 1.00 0.00 C ATOM 1076 O SER A 115 -13.096 0.056 -6.286 1.00 0.00 O ATOM 1077 CB SER A 115 -11.428 2.860 -6.137 1.00 0.00 C ATOM 1078 OG SER A 115 -12.621 3.096 -5.410 1.00 0.00 O ATOM 0 H SER A 115 -9.250 2.012 -6.950 1.00 0.00 H new ATOM 0 HA SER A 115 -11.030 0.992 -5.152 1.00 0.00 H new ATOM 0 HB2 SER A 115 -10.606 3.412 -5.681 1.00 0.00 H new ATOM 0 HB3 SER A 115 -11.538 3.235 -7.154 1.00 0.00 H new ATOM 0 HG SER A 115 -12.814 4.057 -5.401 1.00 0.00 H new ATOM 1084 N ALA A 116 -12.090 0.571 -8.231 1.00 0.00 N ATOM 1085 CA ALA A 116 -13.071 -0.128 -9.051 1.00 0.00 C ATOM 1086 C ALA A 116 -12.634 -1.563 -9.327 1.00 0.00 C ATOM 1087 O ALA A 116 -13.442 -2.490 -9.274 1.00 0.00 O ATOM 1088 CB ALA A 116 -13.295 0.618 -10.358 1.00 0.00 C ATOM 0 H ALA A 116 -11.343 1.021 -8.760 1.00 0.00 H new ATOM 0 HA ALA A 116 -14.010 -0.162 -8.499 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -14.030 0.084 -10.960 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -13.661 1.623 -10.145 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -12.355 0.682 -10.906 1.00 0.00 H new ATOM 1094 N VAL A 117 -11.351 -1.739 -9.623 1.00 0.00 N ATOM 1095 CA VAL A 117 -10.806 -3.061 -9.907 1.00 0.00 C ATOM 1096 C VAL A 117 -10.215 -3.693 -8.652 1.00 0.00 C ATOM 1097 O VAL A 117 -9.334 -3.121 -8.009 1.00 0.00 O ATOM 1098 CB VAL A 117 -9.718 -2.998 -10.997 1.00 0.00 C ATOM 1099 CG1 VAL A 117 -9.139 -4.380 -11.254 1.00 0.00 C ATOM 1100 CG2 VAL A 117 -10.281 -2.400 -12.277 1.00 0.00 C ATOM 0 H VAL A 117 -10.669 -0.982 -9.672 1.00 0.00 H new ATOM 0 HA VAL A 117 -11.633 -3.674 -10.264 1.00 0.00 H new ATOM 0 HB VAL A 117 -8.913 -2.353 -10.645 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -8.373 -4.316 -12.026 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -8.697 -4.766 -10.335 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -9.932 -5.051 -11.585 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.499 -2.363 -13.036 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -11.105 -3.017 -12.635 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -10.642 -1.391 -12.079 1.00 0.00 H new ATOM 1110 N THR A 118 -10.707 -4.880 -8.307 1.00 0.00 N ATOM 1111 CA THR A 118 -10.229 -5.591 -7.127 1.00 0.00 C ATOM 1112 C THR A 118 -9.227 -6.675 -7.508 1.00 0.00 C ATOM 1113 O THR A 118 -9.587 -7.735 -8.021 1.00 0.00 O ATOM 1114 CB THR A 118 -11.393 -6.234 -6.350 1.00 0.00 C ATOM 1115 OG1 THR A 118 -12.388 -5.247 -6.054 1.00 0.00 O ATOM 1116 CG2 THR A 118 -10.896 -6.865 -5.058 1.00 0.00 C ATOM 0 H THR A 118 -11.436 -5.368 -8.828 1.00 0.00 H new ATOM 0 HA THR A 118 -9.739 -4.855 -6.490 1.00 0.00 H new ATOM 0 HB THR A 118 -11.831 -7.015 -6.972 1.00 0.00 H new ATOM 0 HG1 THR A 118 -13.126 -5.664 -5.561 1.00 0.00 H new ATOM 0 HG21 THR A 118 -11.735 -7.313 -4.526 1.00 0.00 H new ATOM 0 HG22 THR A 118 -10.160 -7.635 -5.289 1.00 0.00 H new ATOM 0 HG23 THR A 118 -10.436 -6.100 -4.433 1.00 0.00 H new ATOM 1124 N PRO A 119 -7.938 -6.407 -7.251 1.00 0.00 N ATOM 1125 CA PRO A 119 -6.858 -7.349 -7.557 1.00 0.00 C ATOM 1126 C PRO A 119 -6.813 -8.518 -6.579 1.00 0.00 C ATOM 1127 O PRO A 119 -7.562 -8.553 -5.603 1.00 0.00 O ATOM 1128 CB PRO A 119 -5.594 -6.494 -7.427 1.00 0.00 C ATOM 1129 CG PRO A 119 -5.959 -5.425 -6.454 1.00 0.00 C ATOM 1130 CD PRO A 119 -7.437 -5.165 -6.640 1.00 0.00 C ATOM 0 HA PRO A 119 -6.982 -7.805 -8.539 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -4.751 -7.085 -7.068 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -5.301 -6.072 -8.388 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -5.746 -5.740 -5.433 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -5.380 -4.520 -6.636 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -7.930 -4.960 -5.690 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -7.614 -4.303 -7.283 1.00 0.00 H new ATOM 1138 N HIS A 120 -5.929 -9.474 -6.848 1.00 0.00 N ATOM 1139 CA HIS A 120 -5.787 -10.646 -5.990 1.00 0.00 C ATOM 1140 C HIS A 120 -4.445 -11.332 -6.227 1.00 0.00 C ATOM 1141 O HIS A 120 -4.162 -11.803 -7.330 1.00 0.00 O ATOM 1142 CB HIS A 120 -6.929 -11.631 -6.242 1.00 0.00 C ATOM 1143 CG HIS A 120 -8.268 -10.976 -6.370 1.00 0.00 C ATOM 1144 ND1 HIS A 120 -9.127 -10.805 -5.304 1.00 0.00 N ATOM 1145 CD2 HIS A 120 -8.896 -10.445 -7.445 1.00 0.00 C ATOM 1146 CE1 HIS A 120 -10.225 -10.199 -5.719 1.00 0.00 C ATOM 1147 NE2 HIS A 120 -10.110 -9.970 -7.015 1.00 0.00 N ATOM 0 H HIS A 120 -5.301 -9.461 -7.652 1.00 0.00 H new ATOM 0 HA HIS A 120 -5.827 -10.314 -4.953 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -6.720 -12.192 -7.153 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -6.963 -12.352 -5.425 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -8.513 -10.403 -8.454 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -11.072 -9.936 -5.104 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -10.810 -9.514 -7.601 1.00 0.00 H new ATOM 1155 N LEU A 121 -3.621 -11.384 -5.186 1.00 0.00 N ATOM 1156 CA LEU A 121 -2.307 -12.013 -5.281 1.00 0.00 C ATOM 1157 C LEU A 121 -2.327 -13.411 -4.671 1.00 0.00 C ATOM 1158 O LEU A 121 -3.002 -13.653 -3.670 1.00 0.00 O ATOM 1159 CB LEU A 121 -1.257 -11.152 -4.577 1.00 0.00 C ATOM 1160 CG LEU A 121 -0.756 -9.934 -5.355 1.00 0.00 C ATOM 1161 CD1 LEU A 121 -0.126 -8.921 -4.412 1.00 0.00 C ATOM 1162 CD2 LEU A 121 0.238 -10.358 -6.426 1.00 0.00 C ATOM 0 H LEU A 121 -3.839 -10.999 -4.267 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.048 -12.101 -6.336 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -1.674 -10.807 -3.631 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -0.401 -11.782 -4.337 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.609 -9.463 -5.844 1.00 0.00 H new ATOM 0 HD11 LEU A 121 0.225 -8.061 -4.983 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -0.866 -8.594 -3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 121 0.716 -9.380 -3.894 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.584 -9.479 -6.970 1.00 0.00 H new ATOM 0 HD22 LEU A 121 1.089 -10.853 -5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -0.246 -11.046 -7.119 1.00 0.00 H new ATOM 1174 N ARG A 122 -1.582 -14.326 -5.280 1.00 0.00 N ATOM 1175 CA ARG A 122 -1.513 -15.701 -4.796 1.00 0.00 C ATOM 1176 C ARG A 122 -2.899 -16.338 -4.770 1.00 0.00 C ATOM 1177 O ARG A 122 -3.171 -17.222 -3.959 1.00 0.00 O ATOM 1178 CB ARG A 122 -0.894 -15.742 -3.399 1.00 0.00 C ATOM 1179 CG ARG A 122 -0.066 -16.989 -3.136 1.00 0.00 C ATOM 1180 CD ARG A 122 -0.937 -18.151 -2.685 1.00 0.00 C ATOM 1181 NE ARG A 122 -0.150 -19.223 -2.081 1.00 0.00 N ATOM 1182 CZ ARG A 122 -0.675 -20.192 -1.340 1.00 0.00 C ATOM 1183 NH1 ARG A 122 -1.981 -20.224 -1.113 1.00 0.00 N ATOM 1184 NH2 ARG A 122 0.107 -21.132 -0.824 1.00 0.00 N ATOM 0 H ARG A 122 -1.017 -14.142 -6.109 1.00 0.00 H new ATOM 0 HA ARG A 122 -0.884 -16.270 -5.481 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -0.264 -14.863 -3.264 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -1.690 -15.681 -2.656 1.00 0.00 H new ATOM 0 HG2 ARG A 122 0.473 -17.267 -4.042 1.00 0.00 H new ATOM 0 HG3 ARG A 122 0.682 -16.776 -2.373 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -1.674 -17.794 -1.966 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -1.489 -18.543 -3.539 1.00 0.00 H new ATOM 0 HE ARG A 122 0.858 -19.228 -2.237 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -2.585 -19.503 -1.508 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -2.382 -20.969 -0.544 1.00 0.00 H new ATOM 0 HH21 ARG A 122 1.112 -21.111 -0.996 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -0.297 -21.876 -0.255 1.00 0.00 H new ATOM 1198 N ASN A 123 -3.773 -15.879 -5.660 1.00 0.00 N ATOM 1199 CA ASN A 123 -5.132 -16.403 -5.737 1.00 0.00 C ATOM 1200 C ASN A 123 -5.954 -15.961 -4.530 1.00 0.00 C ATOM 1201 O ASN A 123 -6.852 -16.675 -4.084 1.00 0.00 O ATOM 1202 CB ASN A 123 -5.108 -17.931 -5.820 1.00 0.00 C ATOM 1203 CG ASN A 123 -6.402 -18.500 -6.370 1.00 0.00 C ATOM 1204 OD1 ASN A 123 -7.227 -17.773 -6.923 1.00 0.00 O ATOM 1205 ND2 ASN A 123 -6.583 -19.806 -6.221 1.00 0.00 N ATOM 0 H ASN A 123 -3.565 -15.146 -6.338 1.00 0.00 H new ATOM 0 HA ASN A 123 -5.598 -16.004 -6.638 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -4.278 -18.245 -6.453 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -4.926 -18.343 -4.828 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -7.434 -20.246 -6.572 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -5.871 -20.370 -5.756 1.00 0.00 H new ATOM 1212 N GLN A 124 -5.642 -14.780 -4.009 1.00 0.00 N ATOM 1213 CA GLN A 124 -6.352 -14.243 -2.854 1.00 0.00 C ATOM 1214 C GLN A 124 -6.433 -12.722 -2.923 1.00 0.00 C ATOM 1215 O GLN A 124 -5.560 -12.053 -3.477 1.00 0.00 O ATOM 1216 CB GLN A 124 -5.658 -14.669 -1.558 1.00 0.00 C ATOM 1217 CG GLN A 124 -6.165 -15.991 -1.003 1.00 0.00 C ATOM 1218 CD GLN A 124 -5.548 -16.336 0.338 1.00 0.00 C ATOM 1219 OE1 GLN A 124 -5.988 -15.850 1.380 1.00 0.00 O ATOM 1220 NE2 GLN A 124 -4.523 -17.180 0.318 1.00 0.00 N ATOM 0 H GLN A 124 -4.902 -14.176 -4.368 1.00 0.00 H new ATOM 0 HA GLN A 124 -7.366 -14.644 -2.865 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -4.586 -14.747 -1.738 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -5.799 -13.891 -0.807 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -7.249 -15.945 -0.899 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -5.947 -16.787 -1.715 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -4.191 -17.559 -0.569 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -4.067 -17.450 1.190 1.00 0.00 H new ATOM 1229 N PRO A 125 -7.508 -12.159 -2.349 1.00 0.00 N ATOM 1230 CA PRO A 125 -7.729 -10.710 -2.333 1.00 0.00 C ATOM 1231 C PRO A 125 -6.821 -9.996 -1.339 1.00 0.00 C ATOM 1232 O PRO A 125 -6.525 -10.523 -0.264 1.00 0.00 O ATOM 1233 CB PRO A 125 -9.193 -10.580 -1.907 1.00 0.00 C ATOM 1234 CG PRO A 125 -9.464 -11.802 -1.100 1.00 0.00 C ATOM 1235 CD PRO A 125 -8.589 -12.895 -1.671 1.00 0.00 C ATOM 0 HA PRO A 125 -7.509 -10.254 -3.298 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -9.356 -9.675 -1.322 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -9.853 -10.523 -2.772 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -9.235 -11.631 -0.048 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -10.517 -12.079 -1.156 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -8.200 -13.546 -0.888 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -9.141 -13.527 -2.367 1.00 0.00 H new ATOM 1243 N ILE A 126 -6.381 -8.796 -1.702 1.00 0.00 N ATOM 1244 CA ILE A 126 -5.507 -8.009 -0.839 1.00 0.00 C ATOM 1245 C ILE A 126 -6.251 -6.820 -0.242 1.00 0.00 C ATOM 1246 O ILE A 126 -7.320 -6.441 -0.716 1.00 0.00 O ATOM 1247 CB ILE A 126 -4.272 -7.497 -1.606 1.00 0.00 C ATOM 1248 CG1 ILE A 126 -4.699 -6.825 -2.912 1.00 0.00 C ATOM 1249 CG2 ILE A 126 -3.309 -8.641 -1.883 1.00 0.00 C ATOM 1250 CD1 ILE A 126 -3.537 -6.331 -3.744 1.00 0.00 C ATOM 0 H ILE A 126 -6.615 -8.347 -2.587 1.00 0.00 H new ATOM 0 HA ILE A 126 -5.178 -8.668 -0.036 1.00 0.00 H new ATOM 0 HB ILE A 126 -3.760 -6.758 -0.989 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -5.283 -7.532 -3.501 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -5.354 -5.985 -2.682 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -2.442 -8.264 -2.425 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -2.984 -9.080 -0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -3.810 -9.401 -2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -3.914 -5.866 -4.655 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -2.965 -5.600 -3.173 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -2.893 -7.171 -4.005 1.00 0.00 H new ATOM 1262 N TYR A 127 -5.675 -6.234 0.803 1.00 0.00 N ATOM 1263 CA TYR A 127 -6.283 -5.088 1.466 1.00 0.00 C ATOM 1264 C TYR A 127 -5.491 -3.813 1.187 1.00 0.00 C ATOM 1265 O TYR A 127 -4.267 -3.790 1.314 1.00 0.00 O ATOM 1266 CB TYR A 127 -6.365 -5.329 2.975 1.00 0.00 C ATOM 1267 CG TYR A 127 -7.511 -6.227 3.383 1.00 0.00 C ATOM 1268 CD1 TYR A 127 -8.224 -6.952 2.434 1.00 0.00 C ATOM 1269 CD2 TYR A 127 -7.885 -6.348 4.715 1.00 0.00 C ATOM 1270 CE1 TYR A 127 -9.272 -7.772 2.802 1.00 0.00 C ATOM 1271 CE2 TYR A 127 -8.931 -7.167 5.091 1.00 0.00 C ATOM 1272 CZ TYR A 127 -9.622 -7.877 4.131 1.00 0.00 C ATOM 1273 OH TYR A 127 -10.666 -8.693 4.502 1.00 0.00 O ATOM 0 H TYR A 127 -4.788 -6.534 1.208 1.00 0.00 H new ATOM 0 HA TYR A 127 -7.290 -4.964 1.069 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.429 -5.771 3.315 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -6.467 -4.370 3.483 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -7.953 -6.872 1.392 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -7.348 -5.792 5.470 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -9.815 -8.328 2.052 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -9.207 -7.251 6.132 1.00 0.00 H new ATOM 0 HH TYR A 127 -10.782 -8.655 5.474 1.00 0.00 H new ATOM 1283 N ILE A 128 -6.200 -2.756 0.807 1.00 0.00 N ATOM 1284 CA ILE A 128 -5.565 -1.478 0.511 1.00 0.00 C ATOM 1285 C ILE A 128 -6.274 -0.333 1.226 1.00 0.00 C ATOM 1286 O ILE A 128 -7.501 -0.230 1.189 1.00 0.00 O ATOM 1287 CB ILE A 128 -5.552 -1.193 -1.003 1.00 0.00 C ATOM 1288 CG1 ILE A 128 -4.858 -2.332 -1.752 1.00 0.00 C ATOM 1289 CG2 ILE A 128 -4.861 0.133 -1.287 1.00 0.00 C ATOM 1290 CD1 ILE A 128 -5.166 -2.356 -3.233 1.00 0.00 C ATOM 0 H ILE A 128 -7.214 -2.759 0.697 1.00 0.00 H new ATOM 0 HA ILE A 128 -4.538 -1.546 0.869 1.00 0.00 H new ATOM 0 HB ILE A 128 -6.582 -1.126 -1.354 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -3.780 -2.243 -1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -5.158 -3.282 -1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -4.860 0.320 -2.361 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -5.394 0.937 -0.779 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -3.834 0.093 -0.925 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -4.641 -3.189 -3.700 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -6.239 -2.476 -3.379 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -4.840 -1.421 -3.688 1.00 0.00 H new ATOM 1302 N GLN A 129 -5.495 0.526 1.875 1.00 0.00 N ATOM 1303 CA GLN A 129 -6.049 1.664 2.598 1.00 0.00 C ATOM 1304 C GLN A 129 -4.968 2.698 2.897 1.00 0.00 C ATOM 1305 O GLN A 129 -3.796 2.356 3.058 1.00 0.00 O ATOM 1306 CB GLN A 129 -6.701 1.199 3.901 1.00 0.00 C ATOM 1307 CG GLN A 129 -7.056 2.339 4.843 1.00 0.00 C ATOM 1308 CD GLN A 129 -8.346 3.035 4.457 1.00 0.00 C ATOM 1309 OE1 GLN A 129 -8.329 4.125 3.886 1.00 0.00 O ATOM 1310 NE2 GLN A 129 -9.475 2.407 4.768 1.00 0.00 N ATOM 0 H GLN A 129 -4.478 0.455 1.915 1.00 0.00 H new ATOM 0 HA GLN A 129 -6.806 2.129 1.967 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -7.605 0.638 3.665 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -6.025 0.513 4.412 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -7.146 1.952 5.858 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -6.244 3.066 4.850 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -9.443 1.504 5.242 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -10.374 2.828 4.533 1.00 0.00 H new ATOM 1319 N TYR A 130 -5.369 3.962 2.969 1.00 0.00 N ATOM 1320 CA TYR A 130 -4.434 5.046 3.247 1.00 0.00 C ATOM 1321 C TYR A 130 -3.825 4.898 4.638 1.00 0.00 C ATOM 1322 O TYR A 130 -4.349 4.173 5.483 1.00 0.00 O ATOM 1323 CB TYR A 130 -5.139 6.398 3.128 1.00 0.00 C ATOM 1324 CG TYR A 130 -5.435 6.803 1.702 1.00 0.00 C ATOM 1325 CD1 TYR A 130 -6.361 6.105 0.937 1.00 0.00 C ATOM 1326 CD2 TYR A 130 -4.789 7.887 1.118 1.00 0.00 C ATOM 1327 CE1 TYR A 130 -6.634 6.471 -0.366 1.00 0.00 C ATOM 1328 CE2 TYR A 130 -5.056 8.261 -0.184 1.00 0.00 C ATOM 1329 CZ TYR A 130 -5.979 7.551 -0.923 1.00 0.00 C ATOM 1330 OH TYR A 130 -6.249 7.920 -2.220 1.00 0.00 O ATOM 0 H TYR A 130 -6.335 4.262 2.839 1.00 0.00 H new ATOM 0 HA TYR A 130 -3.631 4.996 2.512 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -6.074 6.361 3.688 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -4.519 7.164 3.593 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -6.877 5.260 1.369 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -4.066 8.446 1.693 1.00 0.00 H new ATOM 0 HE1 TYR A 130 -7.356 5.915 -0.946 1.00 0.00 H new ATOM 0 HE2 TYR A 130 -4.544 9.106 -0.622 1.00 0.00 H new ATOM 0 HH TYR A 130 -6.984 8.568 -2.229 1.00 0.00 H new ATOM 1340 N SER A 131 -2.714 5.591 4.866 1.00 0.00 N ATOM 1341 CA SER A 131 -2.030 5.535 6.153 1.00 0.00 C ATOM 1342 C SER A 131 -2.113 6.878 6.871 1.00 0.00 C ATOM 1343 O SER A 131 -2.575 7.869 6.307 1.00 0.00 O ATOM 1344 CB SER A 131 -0.565 5.139 5.959 1.00 0.00 C ATOM 1345 OG SER A 131 -0.459 3.850 5.379 1.00 0.00 O ATOM 0 H SER A 131 -2.269 6.197 4.177 1.00 0.00 H new ATOM 0 HA SER A 131 -2.525 4.782 6.767 1.00 0.00 H new ATOM 0 HB2 SER A 131 -0.068 5.870 5.321 1.00 0.00 H new ATOM 0 HB3 SER A 131 -0.051 5.153 6.920 1.00 0.00 H new ATOM 0 HG SER A 131 0.483 3.580 5.352 1.00 0.00 H new