USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=14 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 -168:sc= 0.0396 USER MOD Single : A 62 HIS : no HD1:sc= -5.37! C(o=-5.4!,f=-5.6!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -42:sc= 0.643 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= -0.676 K(o=-0.68,f=-4.5!) USER MOD Single : A 90 MET CE :methyl 143:sc= -1.24 (180deg=-3.06!) USER MOD Single : A 95 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.047) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -0.815 K(o=-0.82,f=-0.099) 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= -6.31! C(o=-6.3!,f=-6.5!) USER MOD Single : A 123 ASN : amide:sc= -0.143 K(o=-0.14,f=-2.3!) USER MOD Single : A 124 GLN : amide:sc= -2.38! K(o=-2.4!,f=-1.5) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 130 TYR OH : rot 150:sc= 0 USER MOD Single : A 131 SER OG : rot 125:sc= 0.0652 USER MOD ----------------------------------------------------------------- ATOM 160 N SER A 58 -2.140 11.106 1.972 1.00 0.00 N ATOM 161 CA SER A 58 -0.834 10.645 2.428 1.00 0.00 C ATOM 162 C SER A 58 -0.053 10.007 1.282 1.00 0.00 C ATOM 163 O SER A 58 -0.635 9.412 0.375 1.00 0.00 O ATOM 164 CB SER A 58 -0.993 9.642 3.572 1.00 0.00 C ATOM 165 OG SER A 58 -1.243 10.305 4.799 1.00 0.00 O ATOM 0 HA SER A 58 -0.277 11.510 2.788 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.813 8.959 3.350 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.090 9.038 3.659 1.00 0.00 H new ATOM 0 HG SER A 58 -1.150 9.669 5.539 1.00 0.00 H new ATOM 171 N ARG A 59 1.269 10.135 1.332 1.00 0.00 N ATOM 172 CA ARG A 59 2.131 9.573 0.300 1.00 0.00 C ATOM 173 C ARG A 59 2.301 8.068 0.493 1.00 0.00 C ATOM 174 O ARG A 59 2.373 7.311 -0.475 1.00 0.00 O ATOM 175 CB ARG A 59 3.499 10.257 0.317 1.00 0.00 C ATOM 176 CG ARG A 59 3.495 11.642 -0.308 1.00 0.00 C ATOM 177 CD ARG A 59 4.673 12.475 0.173 1.00 0.00 C ATOM 178 NE ARG A 59 5.951 11.823 -0.100 1.00 0.00 N ATOM 179 CZ ARG A 59 7.120 12.297 0.316 1.00 0.00 C ATOM 180 NH1 ARG A 59 7.172 13.419 1.020 1.00 0.00 N ATOM 181 NH2 ARG A 59 8.241 11.647 0.028 1.00 0.00 N ATOM 0 H ARG A 59 1.766 10.623 2.077 1.00 0.00 H new ATOM 0 HA ARG A 59 1.658 9.748 -0.666 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.845 10.334 1.348 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.216 9.630 -0.214 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.531 11.552 -1.394 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.563 12.151 -0.061 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.651 13.449 -0.315 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.578 12.653 1.244 1.00 0.00 H new ATOM 0 HE ARG A 59 5.946 10.957 -0.639 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.313 13.921 1.244 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.071 13.780 1.338 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.205 10.783 -0.513 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.138 12.012 0.348 1.00 0.00 H new ATOM 195 N VAL A 60 2.363 7.641 1.751 1.00 0.00 N ATOM 196 CA VAL A 60 2.522 6.228 2.071 1.00 0.00 C ATOM 197 C VAL A 60 1.178 5.511 2.081 1.00 0.00 C ATOM 198 O VAL A 60 0.169 6.064 2.520 1.00 0.00 O ATOM 199 CB VAL A 60 3.204 6.037 3.440 1.00 0.00 C ATOM 200 CG1 VAL A 60 3.291 4.561 3.791 1.00 0.00 C ATOM 201 CG2 VAL A 60 4.584 6.677 3.441 1.00 0.00 C ATOM 0 H VAL A 60 2.305 8.254 2.564 1.00 0.00 H new ATOM 0 HA VAL A 60 3.153 5.797 1.294 1.00 0.00 H new ATOM 0 HB VAL A 60 2.599 6.531 4.200 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.775 4.446 4.761 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.288 4.137 3.834 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.873 4.040 3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.051 6.533 4.415 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.200 6.214 2.671 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.490 7.744 3.238 1.00 0.00 H new ATOM 211 N LEU A 61 1.170 4.275 1.594 1.00 0.00 N ATOM 212 CA LEU A 61 -0.053 3.480 1.546 1.00 0.00 C ATOM 213 C LEU A 61 0.073 2.237 2.421 1.00 0.00 C ATOM 214 O LEU A 61 1.090 1.543 2.391 1.00 0.00 O ATOM 215 CB LEU A 61 -0.365 3.074 0.105 1.00 0.00 C ATOM 216 CG LEU A 61 -0.446 4.214 -0.911 1.00 0.00 C ATOM 217 CD1 LEU A 61 -0.551 3.663 -2.325 1.00 0.00 C ATOM 218 CD2 LEU A 61 -1.628 5.121 -0.600 1.00 0.00 C ATOM 0 H LEU A 61 1.996 3.802 1.227 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.870 4.091 1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.400 2.372 -0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.314 2.539 0.097 1.00 0.00 H new ATOM 0 HG LEU A 61 0.468 4.804 -0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.608 4.489 -3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.327 3.056 -2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.448 3.049 -2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.671 5.927 -1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.551 4.543 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.510 5.544 0.398 1.00 0.00 H new ATOM 230 N HIS A 62 -0.968 1.959 3.199 1.00 0.00 N ATOM 231 CA HIS A 62 -0.976 0.797 4.081 1.00 0.00 C ATOM 232 C HIS A 62 -1.635 -0.398 3.399 1.00 0.00 C ATOM 233 O HIS A 62 -2.759 -0.300 2.903 1.00 0.00 O ATOM 234 CB HIS A 62 -1.708 1.124 5.383 1.00 0.00 C ATOM 235 CG HIS A 62 -1.787 -0.032 6.332 1.00 0.00 C ATOM 236 ND1 HIS A 62 -2.951 -0.405 6.970 1.00 0.00 N ATOM 237 CD2 HIS A 62 -0.836 -0.902 6.748 1.00 0.00 C ATOM 238 CE1 HIS A 62 -2.713 -1.451 7.740 1.00 0.00 C ATOM 239 NE2 HIS A 62 -1.437 -1.774 7.623 1.00 0.00 N ATOM 0 H HIS A 62 -1.817 2.523 3.237 1.00 0.00 H new ATOM 0 HA HIS A 62 0.058 0.538 4.310 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.202 1.954 5.876 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.718 1.460 5.148 1.00 0.00 H new ATOM 0 HD2 HIS A 62 0.201 -0.909 6.448 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -3.438 -1.957 8.360 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.974 -2.545 8.104 1.00 0.00 H new ATOM 247 N ILE A 63 -0.930 -1.523 3.376 1.00 0.00 N ATOM 248 CA ILE A 63 -1.447 -2.736 2.756 1.00 0.00 C ATOM 249 C ILE A 63 -1.450 -3.900 3.741 1.00 0.00 C ATOM 250 O ILE A 63 -0.513 -4.068 4.522 1.00 0.00 O ATOM 251 CB ILE A 63 -0.623 -3.129 1.516 1.00 0.00 C ATOM 252 CG1 ILE A 63 -0.927 -2.183 0.353 1.00 0.00 C ATOM 253 CG2 ILE A 63 -0.914 -4.570 1.121 1.00 0.00 C ATOM 254 CD1 ILE A 63 0.093 -2.248 -0.763 1.00 0.00 C ATOM 0 H ILE A 63 0.002 -1.620 3.780 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.471 -2.521 2.449 1.00 0.00 H new ATOM 0 HB ILE A 63 0.436 -3.045 1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.911 -2.422 -0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.976 -1.161 0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.324 -4.833 0.243 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.653 -5.233 1.946 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.974 -4.677 0.891 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.187 -1.551 -1.553 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.075 -1.980 -0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.126 -3.260 -1.167 1.00 0.00 H new ATOM 266 N ARG A 64 -2.507 -4.704 3.697 1.00 0.00 N ATOM 267 CA ARG A 64 -2.631 -5.853 4.586 1.00 0.00 C ATOM 268 C ARG A 64 -3.129 -7.078 3.824 1.00 0.00 C ATOM 269 O ARG A 64 -3.428 -7.002 2.632 1.00 0.00 O ATOM 270 CB ARG A 64 -3.584 -5.533 5.738 1.00 0.00 C ATOM 271 CG ARG A 64 -3.527 -4.084 6.192 1.00 0.00 C ATOM 272 CD ARG A 64 -4.544 -3.228 5.452 1.00 0.00 C ATOM 273 NE ARG A 64 -4.947 -2.060 6.231 1.00 0.00 N ATOM 274 CZ ARG A 64 -5.618 -2.135 7.374 1.00 0.00 C ATOM 275 NH1 ARG A 64 -5.961 -3.316 7.869 1.00 0.00 N ATOM 276 NH2 ARG A 64 -5.949 -1.026 8.025 1.00 0.00 N ATOM 0 H ARG A 64 -3.290 -4.581 3.055 1.00 0.00 H new ATOM 0 HA ARG A 64 -1.644 -6.075 4.992 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.603 -5.769 5.431 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.348 -6.179 6.583 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -3.716 -4.030 7.264 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.525 -3.688 6.024 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.120 -2.902 4.502 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.423 -3.829 5.219 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.699 -1.136 5.877 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.709 -4.170 7.371 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.477 -3.371 8.747 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.688 -0.115 7.647 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.465 -1.085 8.903 1.00 0.00 H new ATOM 290 N LYS A 65 -3.216 -8.207 4.519 1.00 0.00 N ATOM 291 CA LYS A 65 -3.678 -9.448 3.911 1.00 0.00 C ATOM 292 C LYS A 65 -2.763 -9.864 2.764 1.00 0.00 C ATOM 293 O LYS A 65 -3.229 -10.342 1.728 1.00 0.00 O ATOM 294 CB LYS A 65 -5.112 -9.287 3.401 1.00 0.00 C ATOM 295 CG LYS A 65 -6.159 -9.363 4.499 1.00 0.00 C ATOM 296 CD LYS A 65 -6.363 -10.791 4.977 1.00 0.00 C ATOM 297 CE LYS A 65 -7.335 -10.855 6.145 1.00 0.00 C ATOM 298 NZ LYS A 65 -6.664 -10.559 7.441 1.00 0.00 N ATOM 0 H LYS A 65 -2.972 -8.288 5.506 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.655 -10.228 4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.202 -8.328 2.890 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.315 -10.062 2.662 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.854 -8.738 5.338 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.104 -8.963 4.131 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.739 -11.400 4.155 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.405 -11.216 5.276 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.144 -10.143 5.984 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.787 -11.846 6.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.360 -10.613 8.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.908 -11.254 7.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.255 -9.603 7.410 1.00 0.00 H new ATOM 312 N LEU A 66 -1.462 -9.682 2.955 1.00 0.00 N ATOM 313 CA LEU A 66 -0.481 -10.042 1.935 1.00 0.00 C ATOM 314 C LEU A 66 -0.288 -11.553 1.874 1.00 0.00 C ATOM 315 O LEU A 66 -0.226 -12.238 2.895 1.00 0.00 O ATOM 316 CB LEU A 66 0.856 -9.356 2.222 1.00 0.00 C ATOM 317 CG LEU A 66 0.904 -7.847 1.977 1.00 0.00 C ATOM 318 CD1 LEU A 66 2.130 -7.237 2.638 1.00 0.00 C ATOM 319 CD2 LEU A 66 0.897 -7.550 0.484 1.00 0.00 C ATOM 0 H LEU A 66 -1.061 -9.288 3.806 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.856 -9.704 0.969 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.121 -9.543 3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.623 -9.828 1.608 1.00 0.00 H new ATOM 0 HG LEU A 66 0.016 -7.397 2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.147 -6.163 2.453 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.093 -7.419 3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.030 -7.691 2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.931 -6.472 0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.766 -8.013 0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.012 -7.953 0.037 1.00 0.00 H new ATOM 331 N PRO A 67 -0.189 -12.088 0.648 1.00 0.00 N ATOM 332 CA PRO A 67 0.001 -13.523 0.423 1.00 0.00 C ATOM 333 C PRO A 67 1.112 -14.104 1.292 1.00 0.00 C ATOM 334 O PRO A 67 1.855 -13.368 1.942 1.00 0.00 O ATOM 335 CB PRO A 67 0.384 -13.604 -1.057 1.00 0.00 C ATOM 336 CG PRO A 67 -0.250 -12.407 -1.677 1.00 0.00 C ATOM 337 CD PRO A 67 -0.254 -11.331 -0.614 1.00 0.00 C ATOM 0 HA PRO A 67 -0.890 -14.096 0.679 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.466 -13.591 -1.187 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.019 -14.525 -1.511 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.307 -12.083 -2.556 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.264 -12.631 -2.007 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.597 -10.658 -0.722 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.154 -10.718 -0.668 1.00 0.00 H new ATOM 345 N GLY A 68 1.221 -15.429 1.300 1.00 0.00 N ATOM 346 CA GLY A 68 2.243 -16.085 2.092 1.00 0.00 C ATOM 347 C GLY A 68 3.577 -16.155 1.375 1.00 0.00 C ATOM 348 O GLY A 68 3.637 -16.496 0.195 1.00 0.00 O ATOM 0 H GLY A 68 0.619 -16.060 0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.368 -15.550 3.033 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.914 -17.094 2.340 1.00 0.00 H new ATOM 352 N GLU A 69 4.650 -15.829 2.090 1.00 0.00 N ATOM 353 CA GLU A 69 5.988 -15.855 1.512 1.00 0.00 C ATOM 354 C GLU A 69 6.052 -15.002 0.248 1.00 0.00 C ATOM 355 O GLU A 69 6.627 -15.409 -0.761 1.00 0.00 O ATOM 356 CB GLU A 69 6.403 -17.293 1.192 1.00 0.00 C ATOM 357 CG GLU A 69 6.285 -18.238 2.375 1.00 0.00 C ATOM 358 CD GLU A 69 6.772 -19.639 2.054 1.00 0.00 C ATOM 359 OE1 GLU A 69 5.999 -20.410 1.448 1.00 0.00 O ATOM 360 OE2 GLU A 69 7.925 -19.962 2.409 1.00 0.00 O ATOM 0 H GLU A 69 4.618 -15.544 3.069 1.00 0.00 H new ATOM 0 HA GLU A 69 6.680 -15.440 2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.785 -17.667 0.376 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.434 -17.294 0.838 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.860 -17.840 3.212 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.244 -18.284 2.696 1.00 0.00 H new ATOM 367 N VAL A 70 5.456 -13.815 0.312 1.00 0.00 N ATOM 368 CA VAL A 70 5.445 -12.904 -0.826 1.00 0.00 C ATOM 369 C VAL A 70 6.687 -12.019 -0.833 1.00 0.00 C ATOM 370 O VAL A 70 7.148 -11.568 0.215 1.00 0.00 O ATOM 371 CB VAL A 70 4.191 -12.009 -0.815 1.00 0.00 C ATOM 372 CG1 VAL A 70 4.313 -10.931 0.251 1.00 0.00 C ATOM 373 CG2 VAL A 70 3.966 -11.390 -2.187 1.00 0.00 C ATOM 0 H VAL A 70 4.975 -13.462 1.139 1.00 0.00 H new ATOM 0 HA VAL A 70 5.436 -13.520 -1.725 1.00 0.00 H new ATOM 0 HB VAL A 70 3.327 -12.628 -0.574 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.418 -10.309 0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.422 -11.398 1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.186 -10.312 0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.076 -10.761 -2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.831 -10.784 -2.459 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.830 -12.181 -2.925 1.00 0.00 H new ATOM 383 N THR A 71 7.225 -11.775 -2.025 1.00 0.00 N ATOM 384 CA THR A 71 8.414 -10.946 -2.171 1.00 0.00 C ATOM 385 C THR A 71 8.043 -9.515 -2.547 1.00 0.00 C ATOM 386 O THR A 71 7.243 -9.290 -3.454 1.00 0.00 O ATOM 387 CB THR A 71 9.368 -11.514 -3.238 1.00 0.00 C ATOM 388 OG1 THR A 71 8.683 -11.643 -4.489 1.00 0.00 O ATOM 389 CG2 THR A 71 9.913 -12.868 -2.810 1.00 0.00 C ATOM 0 H THR A 71 6.855 -12.140 -2.903 1.00 0.00 H new ATOM 0 HA THR A 71 8.920 -10.946 -1.206 1.00 0.00 H new ATOM 0 HB THR A 71 10.203 -10.823 -3.352 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.783 -11.999 -4.334 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.584 -13.250 -3.579 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.459 -12.761 -1.873 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.087 -13.565 -2.671 1.00 0.00 H new ATOM 397 N GLU A 72 8.632 -8.552 -1.844 1.00 0.00 N ATOM 398 CA GLU A 72 8.362 -7.143 -2.104 1.00 0.00 C ATOM 399 C GLU A 72 8.195 -6.890 -3.600 1.00 0.00 C ATOM 400 O GLU A 72 7.370 -6.076 -4.016 1.00 0.00 O ATOM 401 CB GLU A 72 9.494 -6.274 -1.553 1.00 0.00 C ATOM 402 CG GLU A 72 9.640 -6.352 -0.042 1.00 0.00 C ATOM 403 CD GLU A 72 10.562 -7.472 0.398 1.00 0.00 C ATOM 404 OE1 GLU A 72 11.612 -7.665 -0.249 1.00 0.00 O ATOM 405 OE2 GLU A 72 10.234 -8.156 1.390 1.00 0.00 O ATOM 0 H GLU A 72 9.299 -8.722 -1.091 1.00 0.00 H new ATOM 0 HA GLU A 72 7.432 -6.878 -1.601 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.433 -6.578 -2.017 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.318 -5.237 -1.840 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.024 -5.403 0.332 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.658 -6.498 0.407 1.00 0.00 H new ATOM 412 N THR A 73 8.985 -7.593 -4.406 1.00 0.00 N ATOM 413 CA THR A 73 8.927 -7.443 -5.855 1.00 0.00 C ATOM 414 C THR A 73 7.491 -7.249 -6.330 1.00 0.00 C ATOM 415 O THR A 73 7.198 -6.318 -7.080 1.00 0.00 O ATOM 416 CB THR A 73 9.531 -8.666 -6.570 1.00 0.00 C ATOM 417 OG1 THR A 73 10.870 -8.887 -6.116 1.00 0.00 O ATOM 418 CG2 THR A 73 9.528 -8.467 -8.078 1.00 0.00 C ATOM 0 H THR A 73 9.673 -8.272 -4.080 1.00 0.00 H new ATOM 0 HA THR A 73 9.513 -6.559 -6.106 1.00 0.00 H new ATOM 0 HB THR A 73 8.919 -9.536 -6.333 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.246 -9.667 -6.574 1.00 0.00 H new ATOM 0 HG21 THR A 73 9.959 -9.344 -8.562 1.00 0.00 H new ATOM 0 HG22 THR A 73 8.504 -8.328 -8.425 1.00 0.00 H new ATOM 0 HG23 THR A 73 10.119 -7.586 -8.330 1.00 0.00 H new ATOM 426 N GLU A 74 6.601 -8.131 -5.888 1.00 0.00 N ATOM 427 CA GLU A 74 5.196 -8.054 -6.269 1.00 0.00 C ATOM 428 C GLU A 74 4.622 -6.676 -5.956 1.00 0.00 C ATOM 429 O GLU A 74 4.257 -5.924 -6.859 1.00 0.00 O ATOM 430 CB GLU A 74 4.388 -9.133 -5.544 1.00 0.00 C ATOM 431 CG GLU A 74 4.617 -10.534 -6.089 1.00 0.00 C ATOM 432 CD GLU A 74 6.028 -11.032 -5.845 1.00 0.00 C ATOM 433 OE1 GLU A 74 6.950 -10.573 -6.551 1.00 0.00 O ATOM 434 OE2 GLU A 74 6.211 -11.880 -4.947 1.00 0.00 O ATOM 0 H GLU A 74 6.828 -8.907 -5.266 1.00 0.00 H new ATOM 0 HA GLU A 74 5.128 -8.221 -7.344 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.645 -9.118 -4.485 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.328 -8.892 -5.618 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.908 -11.220 -5.625 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.413 -10.541 -7.160 1.00 0.00 H new ATOM 441 N VAL A 75 4.544 -6.354 -4.669 1.00 0.00 N ATOM 442 CA VAL A 75 4.015 -5.066 -4.235 1.00 0.00 C ATOM 443 C VAL A 75 4.654 -3.919 -5.009 1.00 0.00 C ATOM 444 O VAL A 75 4.050 -2.860 -5.182 1.00 0.00 O ATOM 445 CB VAL A 75 4.242 -4.844 -2.728 1.00 0.00 C ATOM 446 CG1 VAL A 75 3.705 -3.487 -2.300 1.00 0.00 C ATOM 447 CG2 VAL A 75 3.597 -5.961 -1.922 1.00 0.00 C ATOM 0 H VAL A 75 4.840 -6.967 -3.909 1.00 0.00 H new ATOM 0 HA VAL A 75 2.944 -5.082 -4.435 1.00 0.00 H new ATOM 0 HB VAL A 75 5.314 -4.860 -2.534 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.875 -3.349 -1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.219 -2.701 -2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.636 -3.437 -2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.767 -5.788 -0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.525 -5.980 -2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.036 -6.917 -2.209 1.00 0.00 H new ATOM 457 N ILE A 76 5.881 -4.137 -5.473 1.00 0.00 N ATOM 458 CA ILE A 76 6.602 -3.123 -6.230 1.00 0.00 C ATOM 459 C ILE A 76 6.066 -3.015 -7.654 1.00 0.00 C ATOM 460 O ILE A 76 5.644 -1.945 -8.091 1.00 0.00 O ATOM 461 CB ILE A 76 8.111 -3.425 -6.283 1.00 0.00 C ATOM 462 CG1 ILE A 76 8.715 -3.355 -4.879 1.00 0.00 C ATOM 463 CG2 ILE A 76 8.814 -2.453 -7.219 1.00 0.00 C ATOM 464 CD1 ILE A 76 10.182 -3.725 -4.834 1.00 0.00 C ATOM 0 H ILE A 76 6.395 -5.007 -5.337 1.00 0.00 H new ATOM 0 HA ILE A 76 6.448 -2.176 -5.713 1.00 0.00 H new ATOM 0 HB ILE A 76 8.252 -4.434 -6.669 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.591 -2.345 -4.489 1.00 0.00 H new ATOM 0 HG13 ILE A 76 8.160 -4.022 -4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.880 -2.680 -7.245 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.398 -2.548 -8.222 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.669 -1.434 -6.861 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.544 -3.653 -3.808 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.311 -4.746 -5.194 1.00 0.00 H new ATOM 0 HD13 ILE A 76 10.749 -3.043 -5.467 1.00 0.00 H new ATOM 476 N ALA A 77 6.085 -4.132 -8.374 1.00 0.00 N ATOM 477 CA ALA A 77 5.599 -4.165 -9.747 1.00 0.00 C ATOM 478 C ALA A 77 4.152 -3.692 -9.828 1.00 0.00 C ATOM 479 O ALA A 77 3.635 -3.423 -10.914 1.00 0.00 O ATOM 480 CB ALA A 77 5.730 -5.569 -10.321 1.00 0.00 C ATOM 0 H ALA A 77 6.432 -5.027 -8.028 1.00 0.00 H new ATOM 0 HA ALA A 77 6.211 -3.484 -10.339 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.363 -5.578 -11.347 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.777 -5.871 -10.307 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.144 -6.264 -9.720 1.00 0.00 H new ATOM 486 N LEU A 78 3.502 -3.590 -8.675 1.00 0.00 N ATOM 487 CA LEU A 78 2.112 -3.150 -8.614 1.00 0.00 C ATOM 488 C LEU A 78 2.029 -1.637 -8.436 1.00 0.00 C ATOM 489 O LEU A 78 1.058 -1.005 -8.853 1.00 0.00 O ATOM 490 CB LEU A 78 1.384 -3.850 -7.467 1.00 0.00 C ATOM 491 CG LEU A 78 1.228 -5.366 -7.597 1.00 0.00 C ATOM 492 CD1 LEU A 78 0.663 -5.956 -6.314 1.00 0.00 C ATOM 493 CD2 LEU A 78 0.338 -5.712 -8.783 1.00 0.00 C ATOM 0 H LEU A 78 3.915 -3.806 -7.768 1.00 0.00 H new ATOM 0 HA LEU A 78 1.631 -3.415 -9.556 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.918 -3.638 -6.541 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.392 -3.410 -7.371 1.00 0.00 H new ATOM 0 HG LEU A 78 2.213 -5.800 -7.770 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.559 -7.035 -6.425 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.338 -5.740 -5.486 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.313 -5.516 -6.110 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.239 -6.795 -8.860 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.647 -5.266 -8.641 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.784 -5.323 -9.698 1.00 0.00 H new ATOM 505 N GLY A 79 3.055 -1.061 -7.817 1.00 0.00 N ATOM 506 CA GLY A 79 3.079 0.373 -7.598 1.00 0.00 C ATOM 507 C GLY A 79 3.941 1.101 -8.610 1.00 0.00 C ATOM 508 O GLY A 79 3.979 2.332 -8.634 1.00 0.00 O ATOM 0 H GLY A 79 3.870 -1.562 -7.463 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.062 0.762 -7.646 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.452 0.578 -6.594 1.00 0.00 H new ATOM 512 N LEU A 80 4.635 0.340 -9.449 1.00 0.00 N ATOM 513 CA LEU A 80 5.504 0.920 -10.468 1.00 0.00 C ATOM 514 C LEU A 80 4.689 1.418 -11.657 1.00 0.00 C ATOM 515 O LEU A 80 4.939 2.492 -12.206 1.00 0.00 O ATOM 516 CB LEU A 80 6.533 -0.112 -10.936 1.00 0.00 C ATOM 517 CG LEU A 80 7.753 -0.298 -10.035 1.00 0.00 C ATOM 518 CD1 LEU A 80 8.611 -1.452 -10.530 1.00 0.00 C ATOM 519 CD2 LEU A 80 8.569 0.985 -9.968 1.00 0.00 C ATOM 0 H LEU A 80 4.613 -0.680 -9.444 1.00 0.00 H new ATOM 0 HA LEU A 80 6.026 1.769 -10.027 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.032 -1.075 -11.039 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.880 0.174 -11.929 1.00 0.00 H new ATOM 0 HG LEU A 80 7.405 -0.536 -9.030 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.475 -1.569 -9.876 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.024 -2.370 -10.524 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.950 -1.244 -11.545 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.434 0.833 -9.322 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.907 1.254 -10.969 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.952 1.788 -9.565 1.00 0.00 H new ATOM 531 N PRO A 81 3.689 0.622 -12.066 1.00 0.00 N ATOM 532 CA PRO A 81 2.816 0.964 -13.192 1.00 0.00 C ATOM 533 C PRO A 81 2.290 2.392 -13.106 1.00 0.00 C ATOM 534 O PRO A 81 1.965 3.008 -14.121 1.00 0.00 O ATOM 535 CB PRO A 81 1.666 -0.038 -13.066 1.00 0.00 C ATOM 536 CG PRO A 81 2.257 -1.205 -12.352 1.00 0.00 C ATOM 537 CD PRO A 81 3.336 -0.672 -11.459 1.00 0.00 C ATOM 0 HA PRO A 81 3.342 0.913 -14.145 1.00 0.00 H new ATOM 0 HB2 PRO A 81 0.831 0.386 -12.508 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.282 -0.326 -14.045 1.00 0.00 H new ATOM 0 HG2 PRO A 81 1.497 -1.726 -11.770 1.00 0.00 H new ATOM 0 HG3 PRO A 81 2.664 -1.925 -13.062 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.983 -0.550 -10.435 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.193 -1.344 -11.423 1.00 0.00 H new ATOM 545 N PHE A 82 2.209 2.915 -11.887 1.00 0.00 N ATOM 546 CA PHE A 82 1.721 4.272 -11.668 1.00 0.00 C ATOM 547 C PHE A 82 2.881 5.253 -11.539 1.00 0.00 C ATOM 548 O PHE A 82 2.893 6.306 -12.175 1.00 0.00 O ATOM 549 CB PHE A 82 0.850 4.327 -10.411 1.00 0.00 C ATOM 550 CG PHE A 82 -0.365 3.446 -10.484 1.00 0.00 C ATOM 551 CD1 PHE A 82 -1.341 3.668 -11.443 1.00 0.00 C ATOM 552 CD2 PHE A 82 -0.531 2.397 -9.595 1.00 0.00 C ATOM 553 CE1 PHE A 82 -2.460 2.859 -11.512 1.00 0.00 C ATOM 554 CE2 PHE A 82 -1.648 1.585 -9.660 1.00 0.00 C ATOM 555 CZ PHE A 82 -2.613 1.816 -10.620 1.00 0.00 C ATOM 0 H PHE A 82 2.475 2.420 -11.036 1.00 0.00 H new ATOM 0 HA PHE A 82 1.120 4.559 -12.531 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.450 4.034 -9.550 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.533 5.356 -10.243 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.226 4.482 -12.144 1.00 0.00 H new ATOM 0 HD2 PHE A 82 0.221 2.211 -8.842 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.214 3.043 -12.263 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.766 0.771 -8.960 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.486 1.182 -10.673 1.00 0.00 H new ATOM 565 N GLY A 83 3.859 4.899 -10.709 1.00 0.00 N ATOM 566 CA GLY A 83 5.011 5.758 -10.511 1.00 0.00 C ATOM 567 C GLY A 83 6.270 4.976 -10.190 1.00 0.00 C ATOM 568 O GLY A 83 6.527 3.929 -10.784 1.00 0.00 O ATOM 0 H GLY A 83 3.873 4.033 -10.171 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.176 6.353 -11.410 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.804 6.456 -9.700 1.00 0.00 H new ATOM 572 N LYS A 84 7.057 5.485 -9.249 1.00 0.00 N ATOM 573 CA LYS A 84 8.296 4.828 -8.850 1.00 0.00 C ATOM 574 C LYS A 84 8.352 4.644 -7.337 1.00 0.00 C ATOM 575 O LYS A 84 8.029 5.558 -6.578 1.00 0.00 O ATOM 576 CB LYS A 84 9.504 5.644 -9.320 1.00 0.00 C ATOM 577 CG LYS A 84 10.832 4.940 -9.109 1.00 0.00 C ATOM 578 CD LYS A 84 11.996 5.790 -9.589 1.00 0.00 C ATOM 579 CE LYS A 84 13.218 4.938 -9.900 1.00 0.00 C ATOM 580 NZ LYS A 84 13.219 4.465 -11.312 1.00 0.00 N ATOM 0 H LYS A 84 6.859 6.351 -8.748 1.00 0.00 H new ATOM 0 HA LYS A 84 8.324 3.845 -9.319 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.388 5.872 -10.379 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.518 6.596 -8.788 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.959 4.711 -8.051 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.830 3.990 -9.643 1.00 0.00 H new ATOM 0 HD2 LYS A 84 11.701 6.343 -10.480 1.00 0.00 H new ATOM 0 HD3 LYS A 84 12.249 6.526 -8.826 1.00 0.00 H new ATOM 0 HE2 LYS A 84 14.122 5.517 -9.710 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.242 4.079 -9.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.067 3.888 -11.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.369 3.892 -11.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 13.222 5.284 -11.953 1.00 0.00 H new ATOM 594 N VAL A 85 8.765 3.457 -6.906 1.00 0.00 N ATOM 595 CA VAL A 85 8.866 3.153 -5.483 1.00 0.00 C ATOM 596 C VAL A 85 10.236 3.538 -4.935 1.00 0.00 C ATOM 597 O VAL A 85 11.266 3.089 -5.438 1.00 0.00 O ATOM 598 CB VAL A 85 8.615 1.658 -5.209 1.00 0.00 C ATOM 599 CG1 VAL A 85 8.828 1.343 -3.737 1.00 0.00 C ATOM 600 CG2 VAL A 85 7.214 1.263 -5.651 1.00 0.00 C ATOM 0 H VAL A 85 9.035 2.690 -7.521 1.00 0.00 H new ATOM 0 HA VAL A 85 8.099 3.740 -4.978 1.00 0.00 H new ATOM 0 HB VAL A 85 9.331 1.075 -5.788 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.646 0.283 -3.562 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.853 1.587 -3.457 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.138 1.934 -3.135 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.054 0.204 -5.450 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.480 1.852 -5.101 1.00 0.00 H new ATOM 0 HG23 VAL A 85 7.103 1.450 -6.719 1.00 0.00 H new ATOM 610 N THR A 86 10.240 4.370 -3.899 1.00 0.00 N ATOM 611 CA THR A 86 11.483 4.816 -3.282 1.00 0.00 C ATOM 612 C THR A 86 11.681 4.169 -1.916 1.00 0.00 C ATOM 613 O THR A 86 12.795 3.795 -1.551 1.00 0.00 O ATOM 614 CB THR A 86 11.513 6.347 -3.120 1.00 0.00 C ATOM 615 OG1 THR A 86 10.301 6.799 -2.506 1.00 0.00 O ATOM 616 CG2 THR A 86 11.688 7.030 -4.469 1.00 0.00 C ATOM 0 H THR A 86 9.396 4.749 -3.469 1.00 0.00 H new ATOM 0 HA THR A 86 12.292 4.513 -3.947 1.00 0.00 H new ATOM 0 HB THR A 86 12.360 6.606 -2.485 1.00 0.00 H new ATOM 0 HG1 THR A 86 10.329 7.773 -2.405 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.706 8.111 -4.330 1.00 0.00 H new ATOM 0 HG22 THR A 86 12.625 6.706 -4.922 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.858 6.762 -5.123 1.00 0.00 H new ATOM 624 N ASN A 87 10.593 4.039 -1.164 1.00 0.00 N ATOM 625 CA ASN A 87 10.647 3.436 0.163 1.00 0.00 C ATOM 626 C ASN A 87 9.539 2.402 0.337 1.00 0.00 C ATOM 627 O ASN A 87 8.374 2.671 0.043 1.00 0.00 O ATOM 628 CB ASN A 87 10.528 4.515 1.241 1.00 0.00 C ATOM 629 CG ASN A 87 11.826 5.272 1.448 1.00 0.00 C ATOM 630 OD1 ASN A 87 12.645 5.384 0.536 1.00 0.00 O ATOM 631 ND2 ASN A 87 12.020 5.794 2.654 1.00 0.00 N ATOM 0 H ASN A 87 9.663 4.343 -1.451 1.00 0.00 H new ATOM 0 HA ASN A 87 11.608 2.932 0.267 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.742 5.217 0.963 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.226 4.054 2.181 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.875 6.312 2.854 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.314 5.676 3.380 1.00 0.00 H new ATOM 638 N ILE A 88 9.910 1.220 0.817 1.00 0.00 N ATOM 639 CA ILE A 88 8.948 0.147 1.032 1.00 0.00 C ATOM 640 C ILE A 88 9.274 -0.637 2.298 1.00 0.00 C ATOM 641 O ILE A 88 10.440 -0.791 2.664 1.00 0.00 O ATOM 642 CB ILE A 88 8.910 -0.823 -0.164 1.00 0.00 C ATOM 643 CG1 ILE A 88 7.993 -2.008 0.142 1.00 0.00 C ATOM 644 CG2 ILE A 88 10.313 -1.304 -0.500 1.00 0.00 C ATOM 645 CD1 ILE A 88 8.043 -3.098 -0.906 1.00 0.00 C ATOM 0 H ILE A 88 10.870 0.981 1.064 1.00 0.00 H new ATOM 0 HA ILE A 88 7.970 0.616 1.140 1.00 0.00 H new ATOM 0 HB ILE A 88 8.512 -0.294 -1.030 1.00 0.00 H new ATOM 0 HG12 ILE A 88 8.270 -2.431 1.108 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.968 -1.649 0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 88 10.270 -1.989 -1.347 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.939 -0.449 -0.756 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.737 -1.819 0.362 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.368 -3.906 -0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.738 -2.690 -1.870 1.00 0.00 H new ATOM 0 HD13 ILE A 88 9.060 -3.484 -0.981 1.00 0.00 H new ATOM 657 N LEU A 89 8.236 -1.135 2.963 1.00 0.00 N ATOM 658 CA LEU A 89 8.411 -1.907 4.188 1.00 0.00 C ATOM 659 C LEU A 89 7.478 -3.113 4.210 1.00 0.00 C ATOM 660 O LEU A 89 6.261 -2.971 4.094 1.00 0.00 O ATOM 661 CB LEU A 89 8.152 -1.025 5.411 1.00 0.00 C ATOM 662 CG LEU A 89 8.597 -1.597 6.757 1.00 0.00 C ATOM 663 CD1 LEU A 89 10.004 -2.165 6.658 1.00 0.00 C ATOM 664 CD2 LEU A 89 8.526 -0.530 7.840 1.00 0.00 C ATOM 0 H LEU A 89 7.265 -1.018 2.674 1.00 0.00 H new ATOM 0 HA LEU A 89 9.440 -2.266 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.657 -0.071 5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.084 -0.815 5.463 1.00 0.00 H new ATOM 0 HG LEU A 89 7.919 -2.407 7.027 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.303 -2.567 7.626 1.00 0.00 H new ATOM 0 HD12 LEU A 89 10.024 -2.960 5.913 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.695 -1.375 6.364 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.846 -0.955 8.791 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.180 0.301 7.575 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.501 -0.171 7.930 1.00 0.00 H new ATOM 676 N MET A 90 8.057 -4.300 4.361 1.00 0.00 N ATOM 677 CA MET A 90 7.276 -5.531 4.401 1.00 0.00 C ATOM 678 C MET A 90 7.504 -6.277 5.712 1.00 0.00 C ATOM 679 O MET A 90 8.628 -6.672 6.026 1.00 0.00 O ATOM 680 CB MET A 90 7.641 -6.431 3.219 1.00 0.00 C ATOM 681 CG MET A 90 6.991 -7.804 3.277 1.00 0.00 C ATOM 682 SD MET A 90 6.951 -8.621 1.671 1.00 0.00 S ATOM 683 CE MET A 90 5.541 -7.814 0.916 1.00 0.00 C ATOM 0 H MET A 90 9.063 -4.435 4.458 1.00 0.00 H new ATOM 0 HA MET A 90 6.221 -5.265 4.333 1.00 0.00 H new ATOM 0 HB2 MET A 90 7.347 -5.938 2.293 1.00 0.00 H new ATOM 0 HB3 MET A 90 8.724 -6.552 3.186 1.00 0.00 H new ATOM 0 HG2 MET A 90 7.535 -8.429 3.985 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.974 -7.704 3.655 1.00 0.00 H new ATOM 0 HE1 MET A 90 5.733 -7.664 -0.146 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.655 -8.437 1.040 1.00 0.00 H new ATOM 0 HE3 MET A 90 5.375 -6.849 1.394 1.00 0.00 H new ATOM 693 N LEU A 91 6.432 -6.465 6.475 1.00 0.00 N ATOM 694 CA LEU A 91 6.516 -7.162 7.753 1.00 0.00 C ATOM 695 C LEU A 91 6.523 -8.674 7.548 1.00 0.00 C ATOM 696 O LEU A 91 5.550 -9.250 7.060 1.00 0.00 O ATOM 697 CB LEU A 91 5.344 -6.763 8.651 1.00 0.00 C ATOM 698 CG LEU A 91 5.399 -5.353 9.239 1.00 0.00 C ATOM 699 CD1 LEU A 91 4.062 -4.981 9.860 1.00 0.00 C ATOM 700 CD2 LEU A 91 6.515 -5.247 10.268 1.00 0.00 C ATOM 0 H LEU A 91 5.495 -6.144 6.230 1.00 0.00 H new ATOM 0 HA LEU A 91 7.450 -6.875 8.236 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.423 -6.860 8.077 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.283 -7.476 9.473 1.00 0.00 H new ATOM 0 HG LEU A 91 5.609 -4.652 8.431 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.120 -3.974 10.273 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.284 -5.016 9.097 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.821 -5.686 10.655 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.539 -4.236 10.676 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.336 -5.959 11.074 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.470 -5.469 9.793 1.00 0.00 H new ATOM 763 N ASN A 95 0.571 -9.744 8.542 1.00 0.00 N ATOM 764 CA ASN A 95 0.298 -9.514 7.128 1.00 0.00 C ATOM 765 C ASN A 95 0.060 -8.033 6.854 1.00 0.00 C ATOM 766 O ASN A 95 -1.082 -7.595 6.709 1.00 0.00 O ATOM 767 CB ASN A 95 -0.917 -10.329 6.682 1.00 0.00 C ATOM 768 CG ASN A 95 -1.919 -10.532 7.801 1.00 0.00 C ATOM 769 OD1 ASN A 95 -1.814 -11.479 8.581 1.00 0.00 O ATOM 770 ND2 ASN A 95 -2.900 -9.641 7.886 1.00 0.00 N ATOM 0 HA ASN A 95 1.170 -9.835 6.559 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -1.405 -9.823 5.849 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.585 -11.300 6.315 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -3.604 -9.726 8.619 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -2.949 -8.871 7.218 1.00 0.00 H new ATOM 777 N GLN A 96 1.143 -7.267 6.785 1.00 0.00 N ATOM 778 CA GLN A 96 1.051 -5.834 6.528 1.00 0.00 C ATOM 779 C GLN A 96 2.332 -5.313 5.883 1.00 0.00 C ATOM 780 O GLN A 96 3.427 -5.789 6.182 1.00 0.00 O ATOM 781 CB GLN A 96 0.777 -5.078 7.829 1.00 0.00 C ATOM 782 CG GLN A 96 -0.576 -5.396 8.443 1.00 0.00 C ATOM 783 CD GLN A 96 -0.803 -4.678 9.759 1.00 0.00 C ATOM 784 OE1 GLN A 96 0.145 -4.361 10.478 1.00 0.00 O ATOM 785 NE2 GLN A 96 -2.064 -4.416 10.082 1.00 0.00 N ATOM 0 H GLN A 96 2.095 -7.614 6.903 1.00 0.00 H new ATOM 0 HA GLN A 96 0.224 -5.666 5.838 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.559 -5.317 8.550 1.00 0.00 H new ATOM 0 HB3 GLN A 96 0.837 -4.007 7.637 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -1.363 -5.119 7.742 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -0.655 -6.471 8.602 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.819 -4.697 9.457 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -2.277 -3.934 10.955 1.00 0.00 H new ATOM 794 N ALA A 97 2.186 -4.333 4.997 1.00 0.00 N ATOM 795 CA ALA A 97 3.330 -3.747 4.311 1.00 0.00 C ATOM 796 C ALA A 97 3.045 -2.307 3.899 1.00 0.00 C ATOM 797 O ALA A 97 1.976 -2.004 3.367 1.00 0.00 O ATOM 798 CB ALA A 97 3.703 -4.582 3.096 1.00 0.00 C ATOM 0 H ALA A 97 1.286 -3.928 4.738 1.00 0.00 H new ATOM 0 HA ALA A 97 4.172 -3.739 5.004 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.559 -4.132 2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.959 -5.593 3.414 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.858 -4.621 2.408 1.00 0.00 H new ATOM 804 N PHE A 98 4.005 -1.423 4.148 1.00 0.00 N ATOM 805 CA PHE A 98 3.855 -0.014 3.803 1.00 0.00 C ATOM 806 C PHE A 98 4.647 0.325 2.543 1.00 0.00 C ATOM 807 O PHE A 98 5.823 -0.019 2.423 1.00 0.00 O ATOM 808 CB PHE A 98 4.320 0.869 4.963 1.00 0.00 C ATOM 809 CG PHE A 98 3.606 0.586 6.254 1.00 0.00 C ATOM 810 CD1 PHE A 98 3.740 -0.644 6.879 1.00 0.00 C ATOM 811 CD2 PHE A 98 2.804 1.550 6.843 1.00 0.00 C ATOM 812 CE1 PHE A 98 3.084 -0.906 8.067 1.00 0.00 C ATOM 813 CE2 PHE A 98 2.146 1.293 8.031 1.00 0.00 C ATOM 814 CZ PHE A 98 2.287 0.064 8.644 1.00 0.00 C ATOM 0 H PHE A 98 4.895 -1.657 4.587 1.00 0.00 H new ATOM 0 HA PHE A 98 2.799 0.176 3.610 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.391 0.728 5.110 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.170 1.915 4.696 1.00 0.00 H new ATOM 0 HD1 PHE A 98 4.363 -1.405 6.433 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.692 2.514 6.368 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.194 -1.869 8.544 1.00 0.00 H new ATOM 0 HE2 PHE A 98 1.522 2.052 8.479 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.775 -0.139 9.573 1.00 0.00 H new ATOM 824 N LEU A 99 3.992 1.001 1.604 1.00 0.00 N ATOM 825 CA LEU A 99 4.633 1.387 0.352 1.00 0.00 C ATOM 826 C LEU A 99 4.702 2.905 0.220 1.00 0.00 C ATOM 827 O LEU A 99 3.825 3.619 0.706 1.00 0.00 O ATOM 828 CB LEU A 99 3.872 0.794 -0.836 1.00 0.00 C ATOM 829 CG LEU A 99 4.636 0.735 -2.160 1.00 0.00 C ATOM 830 CD1 LEU A 99 5.690 -0.360 -2.119 1.00 0.00 C ATOM 831 CD2 LEU A 99 3.677 0.512 -3.319 1.00 0.00 C ATOM 0 H LEU A 99 3.018 1.293 1.687 1.00 0.00 H new ATOM 0 HA LEU A 99 5.650 0.996 0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.560 -0.217 -0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.964 1.378 -0.989 1.00 0.00 H new ATOM 0 HG LEU A 99 5.140 1.690 -2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.223 -0.387 -3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.395 -0.157 -1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.208 -1.322 -1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.238 0.473 -4.253 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.145 -0.428 -3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.960 1.332 -3.361 1.00 0.00 H new ATOM 843 N GLU A 100 5.747 3.390 -0.442 1.00 0.00 N ATOM 844 CA GLU A 100 5.929 4.823 -0.638 1.00 0.00 C ATOM 845 C GLU A 100 6.552 5.111 -2.001 1.00 0.00 C ATOM 846 O GLU A 100 7.580 4.535 -2.361 1.00 0.00 O ATOM 847 CB GLU A 100 6.809 5.404 0.471 1.00 0.00 C ATOM 848 CG GLU A 100 7.180 6.861 0.250 1.00 0.00 C ATOM 849 CD GLU A 100 6.042 7.809 0.571 1.00 0.00 C ATOM 850 OE1 GLU A 100 4.888 7.498 0.208 1.00 0.00 O ATOM 851 OE2 GLU A 100 6.304 8.864 1.188 1.00 0.00 O ATOM 0 H GLU A 100 6.481 2.812 -0.852 1.00 0.00 H new ATOM 0 HA GLU A 100 4.948 5.297 -0.599 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.288 5.311 1.424 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.721 4.813 0.547 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.041 7.110 0.870 1.00 0.00 H new ATOM 0 HG3 GLU A 100 7.483 7.001 -0.788 1.00 0.00 H new ATOM 858 N LEU A 101 5.922 6.004 -2.755 1.00 0.00 N ATOM 859 CA LEU A 101 6.412 6.370 -4.080 1.00 0.00 C ATOM 860 C LEU A 101 7.150 7.704 -4.038 1.00 0.00 C ATOM 861 O LEU A 101 7.315 8.300 -2.975 1.00 0.00 O ATOM 862 CB LEU A 101 5.251 6.446 -5.073 1.00 0.00 C ATOM 863 CG LEU A 101 4.502 5.139 -5.332 1.00 0.00 C ATOM 864 CD1 LEU A 101 3.534 4.843 -4.197 1.00 0.00 C ATOM 865 CD2 LEU A 101 3.764 5.201 -6.661 1.00 0.00 C ATOM 0 H LEU A 101 5.070 6.489 -2.472 1.00 0.00 H new ATOM 0 HA LEU A 101 7.110 5.600 -4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.537 7.185 -4.710 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.636 6.815 -6.024 1.00 0.00 H new ATOM 0 HG LEU A 101 5.231 4.330 -5.381 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.010 3.909 -4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.086 4.754 -3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.810 5.654 -4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.237 4.262 -6.828 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.047 6.021 -6.641 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.479 5.364 -7.467 1.00 0.00 H new ATOM 877 N ALA A 102 7.590 8.167 -5.203 1.00 0.00 N ATOM 878 CA ALA A 102 8.307 9.433 -5.301 1.00 0.00 C ATOM 879 C ALA A 102 7.413 10.601 -4.900 1.00 0.00 C ATOM 880 O ALA A 102 7.840 11.505 -4.181 1.00 0.00 O ATOM 881 CB ALA A 102 8.837 9.632 -6.713 1.00 0.00 C ATOM 0 H ALA A 102 7.463 7.685 -6.093 1.00 0.00 H new ATOM 0 HA ALA A 102 9.150 9.400 -4.610 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.370 10.581 -6.771 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.517 8.818 -6.965 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.004 9.640 -7.416 1.00 0.00 H new ATOM 887 N THR A 103 6.169 10.578 -5.370 1.00 0.00 N ATOM 888 CA THR A 103 5.216 11.636 -5.061 1.00 0.00 C ATOM 889 C THR A 103 3.930 11.064 -4.476 1.00 0.00 C ATOM 890 O THR A 103 3.785 9.849 -4.343 1.00 0.00 O ATOM 891 CB THR A 103 4.872 12.465 -6.314 1.00 0.00 C ATOM 892 OG1 THR A 103 4.190 11.646 -7.271 1.00 0.00 O ATOM 893 CG2 THR A 103 6.131 13.045 -6.941 1.00 0.00 C ATOM 0 H THR A 103 5.799 9.838 -5.966 1.00 0.00 H new ATOM 0 HA THR A 103 5.691 12.284 -4.324 1.00 0.00 H new ATOM 0 HB THR A 103 4.223 13.287 -6.012 1.00 0.00 H new ATOM 0 HG1 THR A 103 3.973 12.180 -8.063 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.863 13.626 -7.824 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.632 13.691 -6.220 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.800 12.235 -7.229 1.00 0.00 H new ATOM 901 N GLU A 104 3.000 11.948 -4.126 1.00 0.00 N ATOM 902 CA GLU A 104 1.727 11.529 -3.555 1.00 0.00 C ATOM 903 C GLU A 104 0.678 11.332 -4.646 1.00 0.00 C ATOM 904 O GLU A 104 0.020 10.293 -4.707 1.00 0.00 O ATOM 905 CB GLU A 104 1.233 12.563 -2.540 1.00 0.00 C ATOM 906 CG GLU A 104 0.066 12.079 -1.696 1.00 0.00 C ATOM 907 CD GLU A 104 -0.271 13.030 -0.564 1.00 0.00 C ATOM 908 OE1 GLU A 104 -0.751 14.146 -0.849 1.00 0.00 O ATOM 909 OE2 GLU A 104 -0.052 12.657 0.608 1.00 0.00 O ATOM 0 H GLU A 104 3.105 12.957 -4.228 1.00 0.00 H new ATOM 0 HA GLU A 104 1.882 10.577 -3.048 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.058 12.836 -1.882 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.936 13.467 -3.071 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.810 11.953 -2.332 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.303 11.099 -1.283 1.00 0.00 H new ATOM 916 N GLU A 105 0.529 12.336 -5.504 1.00 0.00 N ATOM 917 CA GLU A 105 -0.440 12.274 -6.592 1.00 0.00 C ATOM 918 C GLU A 105 -0.556 10.852 -7.135 1.00 0.00 C ATOM 919 O GLU A 105 -1.652 10.378 -7.433 1.00 0.00 O ATOM 920 CB GLU A 105 -0.039 13.230 -7.717 1.00 0.00 C ATOM 921 CG GLU A 105 0.050 14.682 -7.279 1.00 0.00 C ATOM 922 CD GLU A 105 0.289 15.628 -8.440 1.00 0.00 C ATOM 923 OE1 GLU A 105 -0.619 15.773 -9.284 1.00 0.00 O ATOM 924 OE2 GLU A 105 1.386 16.222 -8.503 1.00 0.00 O ATOM 0 H GLU A 105 1.067 13.202 -5.467 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.411 12.575 -6.198 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.926 12.921 -8.119 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -0.763 13.148 -8.528 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.873 14.962 -6.771 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.857 14.790 -6.555 1.00 0.00 H new ATOM 931 N ALA A 106 0.582 10.177 -7.261 1.00 0.00 N ATOM 932 CA ALA A 106 0.608 8.811 -7.766 1.00 0.00 C ATOM 933 C ALA A 106 -0.231 7.886 -6.891 1.00 0.00 C ATOM 934 O ALA A 106 -1.028 7.095 -7.393 1.00 0.00 O ATOM 935 CB ALA A 106 2.041 8.306 -7.849 1.00 0.00 C ATOM 0 H ALA A 106 1.498 10.555 -7.020 1.00 0.00 H new ATOM 0 HA ALA A 106 0.176 8.812 -8.767 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.045 7.284 -8.228 1.00 0.00 H new ATOM 0 HB2 ALA A 106 2.613 8.945 -8.522 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.492 8.327 -6.857 1.00 0.00 H new ATOM 941 N ALA A 107 -0.044 7.990 -5.579 1.00 0.00 N ATOM 942 CA ALA A 107 -0.785 7.163 -4.635 1.00 0.00 C ATOM 943 C ALA A 107 -2.289 7.319 -4.830 1.00 0.00 C ATOM 944 O ALA A 107 -2.989 6.351 -5.124 1.00 0.00 O ATOM 945 CB ALA A 107 -0.396 7.517 -3.206 1.00 0.00 C ATOM 0 H ALA A 107 0.614 8.638 -5.146 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.528 6.121 -4.823 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.957 6.892 -2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.672 7.347 -3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.624 8.566 -3.016 1.00 0.00 H new ATOM 951 N ILE A 108 -2.778 8.544 -4.664 1.00 0.00 N ATOM 952 CA ILE A 108 -4.199 8.825 -4.822 1.00 0.00 C ATOM 953 C ILE A 108 -4.778 8.080 -6.021 1.00 0.00 C ATOM 954 O ILE A 108 -5.902 7.581 -5.973 1.00 0.00 O ATOM 955 CB ILE A 108 -4.458 10.333 -4.996 1.00 0.00 C ATOM 956 CG1 ILE A 108 -3.950 11.104 -3.776 1.00 0.00 C ATOM 957 CG2 ILE A 108 -5.942 10.595 -5.215 1.00 0.00 C ATOM 958 CD1 ILE A 108 -3.895 12.601 -3.987 1.00 0.00 C ATOM 0 H ILE A 108 -2.211 9.356 -4.420 1.00 0.00 H new ATOM 0 HA ILE A 108 -4.691 8.482 -3.912 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.914 10.681 -5.875 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -4.596 10.889 -2.925 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -2.954 10.745 -3.518 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.108 11.665 -5.336 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -6.275 10.072 -6.111 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -6.506 10.235 -4.354 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -3.526 13.083 -3.082 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -3.226 12.827 -4.817 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -4.894 12.973 -4.215 1.00 0.00 H new ATOM 970 N THR A 109 -3.999 8.007 -7.096 1.00 0.00 N ATOM 971 CA THR A 109 -4.432 7.322 -8.308 1.00 0.00 C ATOM 972 C THR A 109 -4.359 5.809 -8.140 1.00 0.00 C ATOM 973 O THR A 109 -5.237 5.081 -8.601 1.00 0.00 O ATOM 974 CB THR A 109 -3.580 7.735 -9.523 1.00 0.00 C ATOM 975 OG1 THR A 109 -3.742 9.134 -9.781 1.00 0.00 O ATOM 976 CG2 THR A 109 -3.973 6.937 -10.756 1.00 0.00 C ATOM 0 H THR A 109 -3.065 8.414 -7.152 1.00 0.00 H new ATOM 0 HA THR A 109 -5.467 7.616 -8.484 1.00 0.00 H new ATOM 0 HB THR A 109 -2.535 7.527 -9.294 1.00 0.00 H new ATOM 0 HG1 THR A 109 -3.196 9.390 -10.554 1.00 0.00 H new ATOM 0 HG21 THR A 109 -3.358 7.246 -11.601 1.00 0.00 H new ATOM 0 HG22 THR A 109 -3.820 5.875 -10.566 1.00 0.00 H new ATOM 0 HG23 THR A 109 -5.023 7.117 -10.987 1.00 0.00 H new ATOM 984 N MET A 110 -3.304 5.342 -7.479 1.00 0.00 N ATOM 985 CA MET A 110 -3.117 3.914 -7.250 1.00 0.00 C ATOM 986 C MET A 110 -4.316 3.320 -6.518 1.00 0.00 C ATOM 987 O MET A 110 -4.827 2.266 -6.898 1.00 0.00 O ATOM 988 CB MET A 110 -1.841 3.669 -6.444 1.00 0.00 C ATOM 989 CG MET A 110 -1.883 2.399 -5.610 1.00 0.00 C ATOM 990 SD MET A 110 -0.272 1.960 -4.928 1.00 0.00 S ATOM 991 CE MET A 110 -0.395 0.174 -4.890 1.00 0.00 C ATOM 0 H MET A 110 -2.566 5.931 -7.093 1.00 0.00 H new ATOM 0 HA MET A 110 -3.026 3.424 -8.219 1.00 0.00 H new ATOM 0 HB2 MET A 110 -0.994 3.617 -7.128 1.00 0.00 H new ATOM 0 HB3 MET A 110 -1.668 4.520 -5.786 1.00 0.00 H new ATOM 0 HG2 MET A 110 -2.595 2.528 -4.795 1.00 0.00 H new ATOM 0 HG3 MET A 110 -2.249 1.577 -6.225 1.00 0.00 H new ATOM 0 HE1 MET A 110 0.528 -0.246 -4.491 1.00 0.00 H new ATOM 0 HE2 MET A 110 -1.231 -0.120 -4.256 1.00 0.00 H new ATOM 0 HE3 MET A 110 -0.557 -0.201 -5.901 1.00 0.00 H new ATOM 1001 N VAL A 111 -4.761 4.001 -5.468 1.00 0.00 N ATOM 1002 CA VAL A 111 -5.901 3.541 -4.684 1.00 0.00 C ATOM 1003 C VAL A 111 -7.189 3.608 -5.496 1.00 0.00 C ATOM 1004 O VAL A 111 -8.055 2.742 -5.378 1.00 0.00 O ATOM 1005 CB VAL A 111 -6.072 4.373 -3.399 1.00 0.00 C ATOM 1006 CG1 VAL A 111 -7.231 3.843 -2.569 1.00 0.00 C ATOM 1007 CG2 VAL A 111 -4.783 4.376 -2.591 1.00 0.00 C ATOM 0 H VAL A 111 -4.349 4.875 -5.140 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.700 2.505 -4.412 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.300 5.401 -3.680 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -7.336 4.444 -1.665 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -8.151 3.899 -3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -7.038 2.806 -2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.922 4.968 -1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.522 3.353 -2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.980 4.808 -3.188 1.00 0.00 H new ATOM 1017 N ASN A 112 -7.309 4.644 -6.320 1.00 0.00 N ATOM 1018 CA ASN A 112 -8.493 4.824 -7.152 1.00 0.00 C ATOM 1019 C ASN A 112 -8.634 3.683 -8.155 1.00 0.00 C ATOM 1020 O ASN A 112 -9.705 3.094 -8.295 1.00 0.00 O ATOM 1021 CB ASN A 112 -8.422 6.162 -7.893 1.00 0.00 C ATOM 1022 CG ASN A 112 -9.018 7.301 -7.088 1.00 0.00 C ATOM 1023 OD1 ASN A 112 -9.848 8.060 -7.586 1.00 0.00 O ATOM 1024 ND2 ASN A 112 -8.595 7.423 -5.834 1.00 0.00 N ATOM 0 H ASN A 112 -6.602 5.371 -6.429 1.00 0.00 H new ATOM 0 HA ASN A 112 -9.367 4.821 -6.501 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -7.382 6.391 -8.126 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -8.950 6.077 -8.843 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -8.961 8.170 -5.243 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -7.905 6.770 -5.463 1.00 0.00 H new ATOM 1031 N TYR A 113 -7.543 3.375 -8.849 1.00 0.00 N ATOM 1032 CA TYR A 113 -7.544 2.305 -9.840 1.00 0.00 C ATOM 1033 C TYR A 113 -8.111 1.017 -9.250 1.00 0.00 C ATOM 1034 O TYR A 113 -8.757 0.234 -9.946 1.00 0.00 O ATOM 1035 CB TYR A 113 -6.126 2.061 -10.359 1.00 0.00 C ATOM 1036 CG TYR A 113 -6.056 1.042 -11.473 1.00 0.00 C ATOM 1037 CD1 TYR A 113 -6.350 -0.296 -11.238 1.00 0.00 C ATOM 1038 CD2 TYR A 113 -5.698 1.417 -12.763 1.00 0.00 C ATOM 1039 CE1 TYR A 113 -6.287 -1.230 -12.255 1.00 0.00 C ATOM 1040 CE2 TYR A 113 -5.634 0.491 -13.784 1.00 0.00 C ATOM 1041 CZ TYR A 113 -5.929 -0.832 -13.526 1.00 0.00 C ATOM 1042 OH TYR A 113 -5.866 -1.759 -14.540 1.00 0.00 O ATOM 0 H TYR A 113 -6.647 3.851 -8.743 1.00 0.00 H new ATOM 0 HA TYR A 113 -8.179 2.613 -10.670 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -5.711 3.004 -10.714 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -5.498 1.727 -9.533 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -6.632 -0.611 -10.244 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -5.466 2.451 -12.970 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -6.517 -2.266 -12.055 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -5.354 0.800 -14.780 1.00 0.00 H new ATOM 0 HH TYR A 113 -5.600 -1.316 -15.372 1.00 0.00 H new ATOM 1052 N TYR A 114 -7.864 0.806 -7.961 1.00 0.00 N ATOM 1053 CA TYR A 114 -8.348 -0.387 -7.277 1.00 0.00 C ATOM 1054 C TYR A 114 -9.694 -0.124 -6.609 1.00 0.00 C ATOM 1055 O TYR A 114 -10.481 -1.045 -6.388 1.00 0.00 O ATOM 1056 CB TYR A 114 -7.330 -0.849 -6.234 1.00 0.00 C ATOM 1057 CG TYR A 114 -6.044 -1.371 -6.831 1.00 0.00 C ATOM 1058 CD1 TYR A 114 -6.040 -2.491 -7.654 1.00 0.00 C ATOM 1059 CD2 TYR A 114 -4.830 -0.744 -6.575 1.00 0.00 C ATOM 1060 CE1 TYR A 114 -4.867 -2.972 -8.201 1.00 0.00 C ATOM 1061 CE2 TYR A 114 -3.652 -1.216 -7.120 1.00 0.00 C ATOM 1062 CZ TYR A 114 -3.675 -2.331 -7.932 1.00 0.00 C ATOM 1063 OH TYR A 114 -2.505 -2.805 -8.477 1.00 0.00 O ATOM 0 H TYR A 114 -7.332 1.445 -7.370 1.00 0.00 H new ATOM 0 HA TYR A 114 -8.480 -1.173 -8.020 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -7.100 -0.016 -5.570 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -7.780 -1.631 -5.622 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -6.971 -2.994 -7.870 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -4.808 0.128 -5.938 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -4.882 -3.845 -8.836 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -2.718 -0.715 -6.912 1.00 0.00 H new ATOM 0 HH TYR A 114 -1.758 -2.240 -8.190 1.00 0.00 H new ATOM 1073 N SER A 115 -9.953 1.140 -6.291 1.00 0.00 N ATOM 1074 CA SER A 115 -11.202 1.526 -5.645 1.00 0.00 C ATOM 1075 C SER A 115 -12.393 0.857 -6.324 1.00 0.00 C ATOM 1076 O SER A 115 -13.398 0.556 -5.683 1.00 0.00 O ATOM 1077 CB SER A 115 -11.369 3.046 -5.678 1.00 0.00 C ATOM 1078 OG SER A 115 -12.515 3.449 -4.949 1.00 0.00 O ATOM 0 H SER A 115 -9.314 1.915 -6.470 1.00 0.00 H new ATOM 0 HA SER A 115 -11.164 1.195 -4.607 1.00 0.00 H new ATOM 0 HB2 SER A 115 -10.482 3.522 -5.259 1.00 0.00 H new ATOM 0 HB3 SER A 115 -11.454 3.383 -6.711 1.00 0.00 H new ATOM 0 HG SER A 115 -12.599 4.425 -4.984 1.00 0.00 H new ATOM 1084 N ALA A 116 -12.271 0.629 -7.628 1.00 0.00 N ATOM 1085 CA ALA A 116 -13.336 -0.005 -8.395 1.00 0.00 C ATOM 1086 C ALA A 116 -12.967 -1.437 -8.767 1.00 0.00 C ATOM 1087 O ALA A 116 -13.830 -2.311 -8.850 1.00 0.00 O ATOM 1088 CB ALA A 116 -13.641 0.804 -9.646 1.00 0.00 C ATOM 0 H ALA A 116 -11.445 0.874 -8.175 1.00 0.00 H new ATOM 0 HA ALA A 116 -14.229 -0.037 -7.770 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -14.438 0.318 -10.208 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -13.957 1.808 -9.362 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -12.746 0.867 -10.266 1.00 0.00 H new ATOM 1094 N VAL A 117 -11.677 -1.672 -8.990 1.00 0.00 N ATOM 1095 CA VAL A 117 -11.194 -2.999 -9.354 1.00 0.00 C ATOM 1096 C VAL A 117 -10.636 -3.731 -8.138 1.00 0.00 C ATOM 1097 O VAL A 117 -9.874 -3.165 -7.353 1.00 0.00 O ATOM 1098 CB VAL A 117 -10.102 -2.921 -10.438 1.00 0.00 C ATOM 1099 CG1 VAL A 117 -9.668 -4.316 -10.859 1.00 0.00 C ATOM 1100 CG2 VAL A 117 -10.598 -2.124 -11.635 1.00 0.00 C ATOM 0 H VAL A 117 -10.949 -0.961 -8.925 1.00 0.00 H new ATOM 0 HA VAL A 117 -12.047 -3.551 -9.748 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.235 -2.407 -10.022 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -8.896 -4.241 -11.625 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -9.271 -4.850 -9.995 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.525 -4.858 -11.259 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.815 -2.078 -12.392 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -11.480 -2.608 -12.054 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -10.855 -1.113 -11.318 1.00 0.00 H new ATOM 1110 N THR A 118 -11.018 -4.996 -7.989 1.00 0.00 N ATOM 1111 CA THR A 118 -10.557 -5.807 -6.870 1.00 0.00 C ATOM 1112 C THR A 118 -9.458 -6.770 -7.304 1.00 0.00 C ATOM 1113 O THR A 118 -9.712 -7.792 -7.941 1.00 0.00 O ATOM 1114 CB THR A 118 -11.713 -6.612 -6.245 1.00 0.00 C ATOM 1115 OG1 THR A 118 -12.811 -5.743 -5.948 1.00 0.00 O ATOM 1116 CG2 THR A 118 -11.258 -7.316 -4.976 1.00 0.00 C ATOM 0 H THR A 118 -11.646 -5.481 -8.630 1.00 0.00 H new ATOM 0 HA THR A 118 -10.159 -5.119 -6.124 1.00 0.00 H new ATOM 0 HB THR A 118 -12.032 -7.366 -6.965 1.00 0.00 H new ATOM 0 HG1 THR A 118 -13.542 -6.263 -5.553 1.00 0.00 H new ATOM 0 HG21 THR A 118 -12.091 -7.878 -4.553 1.00 0.00 H new ATOM 0 HG22 THR A 118 -10.442 -7.999 -5.212 1.00 0.00 H new ATOM 0 HG23 THR A 118 -10.915 -6.576 -4.253 1.00 0.00 H new ATOM 1124 N PRO A 119 -8.207 -6.439 -6.952 1.00 0.00 N ATOM 1125 CA PRO A 119 -7.044 -7.263 -7.294 1.00 0.00 C ATOM 1126 C PRO A 119 -6.944 -8.513 -6.427 1.00 0.00 C ATOM 1127 O PRO A 119 -7.698 -8.678 -5.468 1.00 0.00 O ATOM 1128 CB PRO A 119 -5.859 -6.332 -7.029 1.00 0.00 C ATOM 1129 CG PRO A 119 -6.343 -5.393 -5.978 1.00 0.00 C ATOM 1130 CD PRO A 119 -7.832 -5.235 -6.192 1.00 0.00 C ATOM 0 HA PRO A 119 -7.093 -7.631 -8.319 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -4.986 -6.889 -6.690 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -5.565 -5.798 -7.933 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -6.134 -5.785 -4.983 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -5.836 -4.431 -6.055 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -8.368 -5.177 -5.245 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -8.062 -4.325 -6.745 1.00 0.00 H new ATOM 1138 N HIS A 120 -6.008 -9.393 -6.771 1.00 0.00 N ATOM 1139 CA HIS A 120 -5.809 -10.629 -6.022 1.00 0.00 C ATOM 1140 C HIS A 120 -4.426 -11.212 -6.295 1.00 0.00 C ATOM 1141 O HIS A 120 -4.116 -11.601 -7.422 1.00 0.00 O ATOM 1142 CB HIS A 120 -6.887 -11.650 -6.387 1.00 0.00 C ATOM 1143 CG HIS A 120 -8.282 -11.137 -6.208 1.00 0.00 C ATOM 1144 ND1 HIS A 120 -8.983 -10.496 -7.208 1.00 0.00 N ATOM 1145 CD2 HIS A 120 -9.109 -11.176 -5.137 1.00 0.00 C ATOM 1146 CE1 HIS A 120 -10.179 -10.160 -6.759 1.00 0.00 C ATOM 1147 NE2 HIS A 120 -10.281 -10.562 -5.505 1.00 0.00 N ATOM 0 H HIS A 120 -5.376 -9.273 -7.563 1.00 0.00 H new ATOM 0 HA HIS A 120 -5.883 -10.398 -4.959 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -6.751 -11.955 -7.425 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -6.755 -12.541 -5.773 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -8.888 -11.609 -4.173 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -10.943 -9.644 -7.321 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -11.098 -10.437 -4.907 1.00 0.00 H new ATOM 1155 N LEU A 121 -3.598 -11.268 -5.257 1.00 0.00 N ATOM 1156 CA LEU A 121 -2.247 -11.803 -5.385 1.00 0.00 C ATOM 1157 C LEU A 121 -2.201 -13.272 -4.975 1.00 0.00 C ATOM 1158 O LEU A 121 -2.792 -13.664 -3.967 1.00 0.00 O ATOM 1159 CB LEU A 121 -1.273 -10.993 -4.529 1.00 0.00 C ATOM 1160 CG LEU A 121 -0.810 -9.660 -5.118 1.00 0.00 C ATOM 1161 CD1 LEU A 121 -0.141 -8.807 -4.051 1.00 0.00 C ATOM 1162 CD2 LEU A 121 0.137 -9.894 -6.287 1.00 0.00 C ATOM 0 H LEU A 121 -3.839 -10.950 -4.318 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.951 -11.727 -6.431 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -1.743 -10.798 -3.565 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -0.393 -11.607 -4.336 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.685 -9.124 -5.486 1.00 0.00 H new ATOM 0 HD11 LEU A 121 0.182 -7.863 -4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -0.849 -8.610 -3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 121 0.724 -9.336 -3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.457 -8.935 -6.694 1.00 0.00 H new ATOM 0 HD22 LEU A 121 1.009 -10.451 -5.943 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -0.375 -10.464 -7.062 1.00 0.00 H new ATOM 1174 N ARG A 122 -1.496 -14.079 -5.760 1.00 0.00 N ATOM 1175 CA ARG A 122 -1.374 -15.504 -5.478 1.00 0.00 C ATOM 1176 C ARG A 122 -2.747 -16.143 -5.295 1.00 0.00 C ATOM 1177 O ARG A 122 -2.957 -16.936 -4.379 1.00 0.00 O ATOM 1178 CB ARG A 122 -0.526 -15.726 -4.225 1.00 0.00 C ATOM 1179 CG ARG A 122 0.971 -15.721 -4.492 1.00 0.00 C ATOM 1180 CD ARG A 122 1.484 -17.116 -4.816 1.00 0.00 C ATOM 1181 NE ARG A 122 1.723 -17.904 -3.610 1.00 0.00 N ATOM 1182 CZ ARG A 122 2.230 -19.132 -3.624 1.00 0.00 C ATOM 1183 NH1 ARG A 122 2.549 -19.708 -4.775 1.00 0.00 N ATOM 1184 NH2 ARG A 122 2.418 -19.786 -2.486 1.00 0.00 N ATOM 0 H ARG A 122 -1.000 -13.771 -6.596 1.00 0.00 H new ATOM 0 HA ARG A 122 -0.884 -15.976 -6.330 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -0.759 -14.949 -3.497 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -0.803 -16.679 -3.774 1.00 0.00 H new ATOM 0 HG2 ARG A 122 1.191 -15.049 -5.322 1.00 0.00 H new ATOM 0 HG3 ARG A 122 1.496 -15.333 -3.619 1.00 0.00 H new ATOM 0 HD2 ARG A 122 0.760 -17.631 -5.448 1.00 0.00 H new ATOM 0 HD3 ARG A 122 2.409 -17.039 -5.388 1.00 0.00 H new ATOM 0 HE ARG A 122 1.488 -17.489 -2.708 1.00 0.00 H new ATOM 0 HH11 ARG A 122 2.405 -19.208 -5.652 1.00 0.00 H new ATOM 0 HH12 ARG A 122 2.938 -20.651 -4.783 1.00 0.00 H new ATOM 0 HH21 ARG A 122 2.173 -19.346 -1.599 1.00 0.00 H new ATOM 0 HH22 ARG A 122 2.807 -20.729 -2.498 1.00 0.00 H new ATOM 1198 N ASN A 123 -3.680 -15.790 -6.175 1.00 0.00 N ATOM 1199 CA ASN A 123 -5.034 -16.328 -6.109 1.00 0.00 C ATOM 1200 C ASN A 123 -5.698 -15.971 -4.783 1.00 0.00 C ATOM 1201 O ASN A 123 -6.469 -16.757 -4.233 1.00 0.00 O ATOM 1202 CB ASN A 123 -5.010 -17.847 -6.288 1.00 0.00 C ATOM 1203 CG ASN A 123 -4.511 -18.260 -7.660 1.00 0.00 C ATOM 1204 OD1 ASN A 123 -3.991 -17.441 -8.416 1.00 0.00 O ATOM 1205 ND2 ASN A 123 -4.669 -19.538 -7.986 1.00 0.00 N ATOM 0 H ASN A 123 -3.523 -15.135 -6.941 1.00 0.00 H new ATOM 0 HA ASN A 123 -5.615 -15.883 -6.916 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -4.372 -18.290 -5.524 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -6.013 -18.244 -6.135 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -4.353 -19.875 -8.895 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -5.106 -20.182 -7.327 1.00 0.00 H new ATOM 1212 N GLN A 124 -5.394 -14.780 -4.277 1.00 0.00 N ATOM 1213 CA GLN A 124 -5.961 -14.319 -3.015 1.00 0.00 C ATOM 1214 C GLN A 124 -6.117 -12.802 -3.010 1.00 0.00 C ATOM 1215 O GLN A 124 -5.348 -12.073 -3.638 1.00 0.00 O ATOM 1216 CB GLN A 124 -5.080 -14.757 -1.845 1.00 0.00 C ATOM 1217 CG GLN A 124 -5.398 -16.153 -1.332 1.00 0.00 C ATOM 1218 CD GLN A 124 -6.734 -16.221 -0.619 1.00 0.00 C ATOM 1219 OE1 GLN A 124 -7.644 -16.932 -1.047 1.00 0.00 O ATOM 1220 NE2 GLN A 124 -6.860 -15.480 0.476 1.00 0.00 N ATOM 0 H GLN A 124 -4.759 -14.117 -4.721 1.00 0.00 H new ATOM 0 HA GLN A 124 -6.948 -14.768 -2.904 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -4.036 -14.722 -2.155 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -5.194 -14.044 -1.028 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -5.401 -16.852 -2.169 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -4.610 -16.474 -0.651 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -6.080 -14.905 0.795 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -7.737 -15.486 0.998 1.00 0.00 H new ATOM 1229 N PRO A 125 -7.134 -12.314 -2.286 1.00 0.00 N ATOM 1230 CA PRO A 125 -7.414 -10.879 -2.181 1.00 0.00 C ATOM 1231 C PRO A 125 -6.403 -10.153 -1.301 1.00 0.00 C ATOM 1232 O PRO A 125 -5.747 -10.767 -0.458 1.00 0.00 O ATOM 1233 CB PRO A 125 -8.806 -10.834 -1.546 1.00 0.00 C ATOM 1234 CG PRO A 125 -8.904 -12.096 -0.760 1.00 0.00 C ATOM 1235 CD PRO A 125 -8.090 -13.125 -1.512 1.00 0.00 C ATOM 0 HA PRO A 125 -7.356 -10.381 -3.149 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -8.921 -9.959 -0.906 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -9.586 -10.779 -2.305 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -8.518 -11.957 0.250 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -9.942 -12.415 -0.664 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -7.579 -13.807 -0.832 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -8.717 -13.735 -2.163 1.00 0.00 H new ATOM 1243 N ILE A 126 -6.282 -8.846 -1.501 1.00 0.00 N ATOM 1244 CA ILE A 126 -5.351 -8.036 -0.723 1.00 0.00 C ATOM 1245 C ILE A 126 -6.027 -6.778 -0.190 1.00 0.00 C ATOM 1246 O ILE A 126 -7.088 -6.380 -0.673 1.00 0.00 O ATOM 1247 CB ILE A 126 -4.123 -7.631 -1.560 1.00 0.00 C ATOM 1248 CG1 ILE A 126 -4.554 -6.782 -2.758 1.00 0.00 C ATOM 1249 CG2 ILE A 126 -3.366 -8.866 -2.023 1.00 0.00 C ATOM 1250 CD1 ILE A 126 -3.394 -6.168 -3.510 1.00 0.00 C ATOM 0 H ILE A 126 -6.817 -8.324 -2.195 1.00 0.00 H new ATOM 0 HA ILE A 126 -5.023 -8.651 0.115 1.00 0.00 H new ATOM 0 HB ILE A 126 -3.457 -7.035 -0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -5.134 -7.401 -3.443 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -5.214 -5.987 -2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -2.501 -8.563 -2.613 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -3.032 -9.435 -1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -4.022 -9.487 -2.633 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -3.773 -5.580 -4.346 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -2.827 -5.522 -2.840 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -2.745 -6.959 -3.887 1.00 0.00 H new ATOM 1262 N TYR A 127 -5.407 -6.157 0.805 1.00 0.00 N ATOM 1263 CA TYR A 127 -5.949 -4.943 1.405 1.00 0.00 C ATOM 1264 C TYR A 127 -5.142 -3.719 0.983 1.00 0.00 C ATOM 1265 O TYR A 127 -3.920 -3.686 1.135 1.00 0.00 O ATOM 1266 CB TYR A 127 -5.959 -5.062 2.929 1.00 0.00 C ATOM 1267 CG TYR A 127 -7.110 -5.882 3.466 1.00 0.00 C ATOM 1268 CD1 TYR A 127 -7.914 -6.629 2.612 1.00 0.00 C ATOM 1269 CD2 TYR A 127 -7.397 -5.910 4.824 1.00 0.00 C ATOM 1270 CE1 TYR A 127 -8.967 -7.379 3.097 1.00 0.00 C ATOM 1271 CE2 TYR A 127 -8.447 -6.658 5.319 1.00 0.00 C ATOM 1272 CZ TYR A 127 -9.230 -7.391 4.451 1.00 0.00 C ATOM 1273 OH TYR A 127 -10.278 -8.137 4.939 1.00 0.00 O ATOM 0 H TYR A 127 -4.528 -6.473 1.214 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.973 -4.820 1.051 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.021 -5.511 3.256 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -6.003 -4.063 3.363 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -7.711 -6.622 1.551 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -6.788 -5.336 5.506 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -9.582 -7.953 2.420 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -8.654 -6.669 6.379 1.00 0.00 H new ATOM 0 HH TYR A 127 -10.325 -8.037 5.913 1.00 0.00 H new ATOM 1283 N ILE A 128 -5.832 -2.714 0.456 1.00 0.00 N ATOM 1284 CA ILE A 128 -5.181 -1.488 0.015 1.00 0.00 C ATOM 1285 C ILE A 128 -5.890 -0.258 0.570 1.00 0.00 C ATOM 1286 O ILE A 128 -7.092 -0.082 0.374 1.00 0.00 O ATOM 1287 CB ILE A 128 -5.140 -1.393 -1.522 1.00 0.00 C ATOM 1288 CG1 ILE A 128 -4.495 -2.647 -2.115 1.00 0.00 C ATOM 1289 CG2 ILE A 128 -4.385 -0.145 -1.955 1.00 0.00 C ATOM 1290 CD1 ILE A 128 -4.765 -2.824 -3.592 1.00 0.00 C ATOM 0 H ILE A 128 -6.843 -2.725 0.324 1.00 0.00 H new ATOM 0 HA ILE A 128 -4.160 -1.519 0.396 1.00 0.00 H new ATOM 0 HB ILE A 128 -6.162 -1.323 -1.895 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -3.418 -2.603 -1.954 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -4.862 -3.522 -1.579 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -4.364 -0.092 -3.043 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -4.884 0.739 -1.558 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -3.364 -0.187 -1.574 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -4.277 -3.733 -3.945 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -5.839 -2.900 -3.759 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -4.373 -1.966 -4.139 1.00 0.00 H new ATOM 1302 N GLN A 129 -5.137 0.590 1.263 1.00 0.00 N ATOM 1303 CA GLN A 129 -5.695 1.805 1.847 1.00 0.00 C ATOM 1304 C GLN A 129 -4.590 2.798 2.193 1.00 0.00 C ATOM 1305 O GLN A 129 -3.407 2.458 2.177 1.00 0.00 O ATOM 1306 CB GLN A 129 -6.506 1.469 3.099 1.00 0.00 C ATOM 1307 CG GLN A 129 -7.005 2.695 3.848 1.00 0.00 C ATOM 1308 CD GLN A 129 -7.956 2.343 4.974 1.00 0.00 C ATOM 1309 OE1 GLN A 129 -9.025 1.777 4.746 1.00 0.00 O ATOM 1310 NE2 GLN A 129 -7.571 2.678 6.201 1.00 0.00 N ATOM 0 H GLN A 129 -4.140 0.459 1.434 1.00 0.00 H new ATOM 0 HA GLN A 129 -6.354 2.264 1.110 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -7.360 0.855 2.814 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -5.891 0.869 3.770 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -6.153 3.240 4.254 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -7.507 3.364 3.149 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -6.676 3.146 6.345 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -8.170 2.467 6.999 1.00 0.00 H new ATOM 1319 N TYR A 130 -4.985 4.028 2.507 1.00 0.00 N ATOM 1320 CA TYR A 130 -4.028 5.072 2.854 1.00 0.00 C ATOM 1321 C TYR A 130 -3.258 4.705 4.119 1.00 0.00 C ATOM 1322 O TYR A 130 -3.642 3.794 4.852 1.00 0.00 O ATOM 1323 CB TYR A 130 -4.747 6.407 3.051 1.00 0.00 C ATOM 1324 CG TYR A 130 -5.110 7.097 1.756 1.00 0.00 C ATOM 1325 CD1 TYR A 130 -5.699 6.394 0.712 1.00 0.00 C ATOM 1326 CD2 TYR A 130 -4.861 8.453 1.574 1.00 0.00 C ATOM 1327 CE1 TYR A 130 -6.030 7.021 -0.474 1.00 0.00 C ATOM 1328 CE2 TYR A 130 -5.191 9.087 0.392 1.00 0.00 C ATOM 1329 CZ TYR A 130 -5.773 8.367 -0.629 1.00 0.00 C ATOM 1330 OH TYR A 130 -6.104 8.994 -1.808 1.00 0.00 O ATOM 0 H TYR A 130 -5.960 4.326 2.528 1.00 0.00 H new ATOM 0 HA TYR A 130 -3.318 5.167 2.032 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -5.655 6.239 3.630 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -4.112 7.069 3.640 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -5.901 5.340 0.830 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -4.402 9.020 2.370 1.00 0.00 H new ATOM 0 HE1 TYR A 130 -6.488 6.460 -1.275 1.00 0.00 H new ATOM 0 HE2 TYR A 130 -4.994 10.142 0.268 1.00 0.00 H new ATOM 0 HH TYR A 130 -6.320 9.933 -1.630 1.00 0.00 H new ATOM 1340 N SER A 131 -2.168 5.424 4.370 1.00 0.00 N ATOM 1341 CA SER A 131 -1.340 5.174 5.543 1.00 0.00 C ATOM 1342 C SER A 131 -1.147 6.451 6.354 1.00 0.00 C ATOM 1343 O SER A 131 -0.648 7.453 5.846 1.00 0.00 O ATOM 1344 CB SER A 131 0.020 4.612 5.125 1.00 0.00 C ATOM 1345 OG SER A 131 0.620 3.887 6.183 1.00 0.00 O ATOM 0 H SER A 131 -1.838 6.185 3.776 1.00 0.00 H new ATOM 0 HA SER A 131 -1.851 4.441 6.167 1.00 0.00 H new ATOM 0 HB2 SER A 131 -0.103 3.962 4.259 1.00 0.00 H new ATOM 0 HB3 SER A 131 0.676 5.428 4.821 1.00 0.00 H new ATOM 0 HG SER A 131 0.844 2.984 5.875 1.00 0.00 H new