USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=16 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 Set 1.1: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 127 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 62 HIS :FLIP no HE2:sc= -7.63! C(o=-9.1!,f=-7.8!) USER MOD Set 2.2: A 96 GLN : amide:sc= -0.129 K(o=-7.8,f=-9.1) USER MOD Single : A 58 SER OG : rot -172:sc= 0.795 USER MOD Single : A 71 THR OG1 : rot -34:sc= 0.375 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0253) USER MOD Single : A 86 THR OG1 : rot 170:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.179 K(o=-0.18,f=-1.7!) USER MOD Single : A 90 MET CE :methyl -153:sc= -0.735 (180deg=-1.72!) USER MOD Single : A 95 ASN : amide:sc= -2.07 X(o=-2.1,f=-2.4!) 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= -5.89! C(o=-5.9!,f=-14!) 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= -5.7! C(o=-5.7!,f=-6.2!) USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 GLN : amide:sc= -0.0332 X(o=-0.033,f=0) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 130 TYR OH : rot 100:sc= -0.766 USER MOD Single : A 131 SER OG : rot 32:sc= 0.484 USER MOD ----------------------------------------------------------------- ATOM 160 N SER A 58 -2.582 10.859 1.243 1.00 0.00 N ATOM 161 CA SER A 58 -1.290 10.571 1.854 1.00 0.00 C ATOM 162 C SER A 58 -0.327 9.972 0.833 1.00 0.00 C ATOM 163 O SER A 58 -0.732 9.573 -0.259 1.00 0.00 O ATOM 164 CB SER A 58 -1.462 9.613 3.034 1.00 0.00 C ATOM 165 OG SER A 58 -1.726 10.323 4.233 1.00 0.00 O ATOM 0 HA SER A 58 -0.870 11.509 2.216 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.280 8.922 2.829 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.560 9.013 3.154 1.00 0.00 H new ATOM 0 HG SER A 58 -1.707 9.703 4.991 1.00 0.00 H new ATOM 171 N ARG A 59 0.950 9.911 1.198 1.00 0.00 N ATOM 172 CA ARG A 59 1.970 9.362 0.316 1.00 0.00 C ATOM 173 C ARG A 59 2.148 7.865 0.554 1.00 0.00 C ATOM 174 O ARG A 59 2.250 7.083 -0.391 1.00 0.00 O ATOM 175 CB ARG A 59 3.303 10.084 0.529 1.00 0.00 C ATOM 176 CG ARG A 59 3.440 11.361 -0.282 1.00 0.00 C ATOM 177 CD ARG A 59 4.829 11.963 -0.143 1.00 0.00 C ATOM 178 NE ARG A 59 4.935 13.258 -0.810 1.00 0.00 N ATOM 179 CZ ARG A 59 5.885 14.147 -0.543 1.00 0.00 C ATOM 180 NH1 ARG A 59 6.807 13.882 0.373 1.00 0.00 N ATOM 181 NH2 ARG A 59 5.913 15.305 -1.191 1.00 0.00 N ATOM 0 H ARG A 59 1.301 10.235 2.099 1.00 0.00 H new ATOM 0 HA ARG A 59 1.643 9.513 -0.713 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.413 10.322 1.587 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.118 9.409 0.268 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.237 11.150 -1.332 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.694 12.084 0.048 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.069 12.079 0.914 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.565 11.278 -0.564 1.00 0.00 H new ATOM 0 HE ARG A 59 4.241 13.493 -1.520 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.788 12.994 0.874 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.536 14.566 0.576 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.205 15.513 -1.895 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.643 15.987 -0.985 1.00 0.00 H new ATOM 195 N VAL A 60 2.183 7.473 1.824 1.00 0.00 N ATOM 196 CA VAL A 60 2.347 6.071 2.187 1.00 0.00 C ATOM 197 C VAL A 60 1.012 5.335 2.154 1.00 0.00 C ATOM 198 O VAL A 60 -0.023 5.887 2.530 1.00 0.00 O ATOM 199 CB VAL A 60 2.968 5.923 3.589 1.00 0.00 C ATOM 200 CG1 VAL A 60 3.067 4.455 3.977 1.00 0.00 C ATOM 201 CG2 VAL A 60 4.334 6.590 3.639 1.00 0.00 C ATOM 0 H VAL A 60 2.100 8.107 2.618 1.00 0.00 H new ATOM 0 HA VAL A 60 3.020 5.630 1.451 1.00 0.00 H new ATOM 0 HB VAL A 60 2.319 6.421 4.310 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.508 4.370 4.970 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.071 4.012 3.983 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.693 3.930 3.256 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.758 6.476 4.637 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.994 6.123 2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.230 7.650 3.408 1.00 0.00 H new ATOM 211 N LEU A 61 1.042 4.087 1.702 1.00 0.00 N ATOM 212 CA LEU A 61 -0.166 3.273 1.621 1.00 0.00 C ATOM 213 C LEU A 61 -0.075 2.068 2.551 1.00 0.00 C ATOM 214 O LEU A 61 0.964 1.411 2.635 1.00 0.00 O ATOM 215 CB LEU A 61 -0.393 2.805 0.182 1.00 0.00 C ATOM 216 CG LEU A 61 -0.561 3.908 -0.864 1.00 0.00 C ATOM 217 CD1 LEU A 61 -0.591 3.315 -2.264 1.00 0.00 C ATOM 218 CD2 LEU A 61 -1.827 4.709 -0.595 1.00 0.00 C ATOM 0 H LEU A 61 1.890 3.616 1.386 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.010 3.887 1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.449 2.178 -0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.282 2.175 0.162 1.00 0.00 H new ATOM 0 HG LEU A 61 0.293 4.582 -0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.711 4.114 -2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.343 2.786 -2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.426 2.619 -2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.931 5.490 -1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.692 4.047 -0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.766 5.165 0.393 1.00 0.00 H new ATOM 230 N HIS A 62 -1.171 1.781 3.247 1.00 0.00 N ATOM 231 CA HIS A 62 -1.216 0.652 4.171 1.00 0.00 C ATOM 232 C HIS A 62 -1.634 -0.625 3.447 1.00 0.00 C ATOM 233 O HIS A 62 -2.720 -0.696 2.873 1.00 0.00 O ATOM 234 CB HIS A 62 -2.182 0.942 5.318 1.00 0.00 C ATOM 235 CG HIS A 62 -2.131 -0.074 6.417 1.00 0.00 C ATOM 236 ND1 HIS A 62 -1.097 -0.799 6.904 1.00 0.00 N flip ATOM 237 CD2 HIS A 62 -3.236 -0.445 7.151 1.00 0.00 C flip ATOM 238 CE1 HIS A 62 -1.593 -1.586 7.915 1.00 0.00 C flip ATOM 239 NE2 HIS A 62 -2.886 -1.354 8.044 1.00 0.00 N flip ATOM 0 H HIS A 62 -2.039 2.314 3.189 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.215 0.507 4.578 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.956 1.925 5.732 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.197 0.988 4.924 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -0.130 -0.767 6.581 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.234 -0.054 7.017 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.018 -2.282 8.508 1.00 0.00 H new ATOM 247 N ILE A 63 -0.765 -1.629 3.480 1.00 0.00 N ATOM 248 CA ILE A 63 -1.044 -2.902 2.828 1.00 0.00 C ATOM 249 C ILE A 63 -1.013 -4.052 3.830 1.00 0.00 C ATOM 250 O ILE A 63 -0.114 -4.133 4.667 1.00 0.00 O ATOM 251 CB ILE A 63 -0.037 -3.191 1.700 1.00 0.00 C ATOM 252 CG1 ILE A 63 -0.081 -2.080 0.649 1.00 0.00 C ATOM 253 CG2 ILE A 63 -0.328 -4.541 1.061 1.00 0.00 C ATOM 254 CD1 ILE A 63 1.092 -2.103 -0.305 1.00 0.00 C ATOM 0 H ILE A 63 0.138 -1.586 3.951 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.043 -2.824 2.399 1.00 0.00 H new ATOM 0 HB ILE A 63 0.965 -3.222 2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.005 -2.168 0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.109 -1.114 1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.393 -4.730 0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.250 -5.325 1.815 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.335 -4.537 0.644 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.994 -1.288 -1.022 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.019 -1.984 0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.109 -3.054 -0.837 1.00 0.00 H new ATOM 266 N ARG A 64 -1.998 -4.939 3.735 1.00 0.00 N ATOM 267 CA ARG A 64 -2.082 -6.084 4.633 1.00 0.00 C ATOM 268 C ARG A 64 -2.628 -7.308 3.903 1.00 0.00 C ATOM 269 O ARG A 64 -2.876 -7.266 2.698 1.00 0.00 O ATOM 270 CB ARG A 64 -2.973 -5.755 5.833 1.00 0.00 C ATOM 271 CG ARG A 64 -2.624 -4.438 6.506 1.00 0.00 C ATOM 272 CD ARG A 64 -3.285 -3.261 5.804 1.00 0.00 C ATOM 273 NE ARG A 64 -4.598 -2.957 6.365 1.00 0.00 N ATOM 274 CZ ARG A 64 -5.442 -2.082 5.827 1.00 0.00 C ATOM 275 NH1 ARG A 64 -5.110 -1.430 4.721 1.00 0.00 N ATOM 276 NH2 ARG A 64 -6.621 -1.860 6.396 1.00 0.00 N ATOM 0 H ARG A 64 -2.748 -4.887 3.046 1.00 0.00 H new ATOM 0 HA ARG A 64 -1.076 -6.310 4.987 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.012 -5.722 5.505 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -2.895 -6.559 6.564 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.941 -4.466 7.549 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.542 -4.303 6.505 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.644 -2.383 5.886 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.387 -3.483 4.742 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.883 -3.442 7.216 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.205 -1.599 4.281 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.759 -0.759 4.310 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.879 -2.361 7.246 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.268 -1.189 5.983 1.00 0.00 H new ATOM 290 N LYS A 65 -2.811 -8.398 4.641 1.00 0.00 N ATOM 291 CA LYS A 65 -3.328 -9.634 4.065 1.00 0.00 C ATOM 292 C LYS A 65 -2.520 -10.042 2.837 1.00 0.00 C ATOM 293 O LYS A 65 -3.037 -10.694 1.930 1.00 0.00 O ATOM 294 CB LYS A 65 -4.802 -9.468 3.688 1.00 0.00 C ATOM 295 CG LYS A 65 -5.761 -9.805 4.816 1.00 0.00 C ATOM 296 CD LYS A 65 -6.024 -11.299 4.897 1.00 0.00 C ATOM 297 CE LYS A 65 -6.603 -11.691 6.247 1.00 0.00 C ATOM 298 NZ LYS A 65 -8.088 -11.587 6.265 1.00 0.00 N ATOM 0 H LYS A 65 -2.609 -8.450 5.639 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.238 -10.420 4.814 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.974 -8.439 3.372 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.023 -10.105 2.832 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.348 -9.456 5.762 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.702 -9.277 4.664 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.714 -11.591 4.105 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.095 -11.843 4.727 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.308 -12.713 6.486 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.185 -11.049 7.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.444 -11.863 7.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.370 -10.607 6.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.489 -12.219 5.543 1.00 0.00 H new ATOM 312 N LEU A 66 -1.250 -9.654 2.815 1.00 0.00 N ATOM 313 CA LEU A 66 -0.370 -9.981 1.699 1.00 0.00 C ATOM 314 C LEU A 66 -0.232 -11.491 1.538 1.00 0.00 C ATOM 315 O LEU A 66 -0.198 -12.243 2.511 1.00 0.00 O ATOM 316 CB LEU A 66 1.008 -9.351 1.910 1.00 0.00 C ATOM 317 CG LEU A 66 1.087 -7.833 1.741 1.00 0.00 C ATOM 318 CD1 LEU A 66 2.328 -7.283 2.426 1.00 0.00 C ATOM 319 CD2 LEU A 66 1.078 -7.459 0.266 1.00 0.00 C ATOM 0 H LEU A 66 -0.807 -9.113 3.557 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.813 -9.577 0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.350 -9.603 2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.706 -9.811 1.211 1.00 0.00 H new ATOM 0 HG LEU A 66 0.211 -7.388 2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.367 -6.202 2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.291 -7.518 3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.217 -7.734 1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.135 -6.375 0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.935 -7.915 -0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.158 -7.819 -0.195 1.00 0.00 H new ATOM 331 N PRO A 67 -0.149 -11.946 0.279 1.00 0.00 N ATOM 332 CA PRO A 67 -0.011 -13.371 -0.040 1.00 0.00 C ATOM 333 C PRO A 67 1.046 -14.057 0.819 1.00 0.00 C ATOM 334 O PRO A 67 1.974 -13.415 1.310 1.00 0.00 O ATOM 335 CB PRO A 67 0.416 -13.366 -1.510 1.00 0.00 C ATOM 336 CG PRO A 67 -0.156 -12.107 -2.066 1.00 0.00 C ATOM 337 CD PRO A 67 -0.182 -11.107 -0.930 1.00 0.00 C ATOM 0 HA PRO A 67 -0.932 -13.922 0.148 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.502 -13.384 -1.607 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.034 -14.241 -2.036 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.450 -11.738 -2.893 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.159 -12.276 -2.457 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.673 -10.432 -0.972 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.079 -10.488 -0.963 1.00 0.00 H new ATOM 345 N GLY A 68 0.900 -15.367 0.995 1.00 0.00 N ATOM 346 CA GLY A 68 1.849 -16.118 1.794 1.00 0.00 C ATOM 347 C GLY A 68 3.225 -16.176 1.159 1.00 0.00 C ATOM 348 O GLY A 68 3.350 -16.409 -0.042 1.00 0.00 O ATOM 0 H GLY A 68 0.141 -15.921 0.598 1.00 0.00 H new ATOM 0 HA2 GLY A 68 1.927 -15.664 2.782 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.476 -17.132 1.938 1.00 0.00 H new ATOM 352 N GLU A 69 4.258 -15.960 1.968 1.00 0.00 N ATOM 353 CA GLU A 69 5.631 -15.986 1.475 1.00 0.00 C ATOM 354 C GLU A 69 5.780 -15.109 0.236 1.00 0.00 C ATOM 355 O GLU A 69 6.380 -15.518 -0.759 1.00 0.00 O ATOM 356 CB GLU A 69 6.053 -17.421 1.153 1.00 0.00 C ATOM 357 CG GLU A 69 7.538 -17.678 1.354 1.00 0.00 C ATOM 358 CD GLU A 69 7.862 -18.158 2.755 1.00 0.00 C ATOM 359 OE1 GLU A 69 7.147 -19.050 3.258 1.00 0.00 O ATOM 360 OE2 GLU A 69 8.832 -17.642 3.348 1.00 0.00 O ATOM 0 H GLU A 69 4.171 -15.765 2.965 1.00 0.00 H new ATOM 0 HA GLU A 69 6.279 -15.592 2.257 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.486 -18.107 1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.791 -17.645 0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.875 -18.422 0.632 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.092 -16.762 1.150 1.00 0.00 H new ATOM 367 N VAL A 70 5.231 -13.901 0.303 1.00 0.00 N ATOM 368 CA VAL A 70 5.304 -12.965 -0.812 1.00 0.00 C ATOM 369 C VAL A 70 6.562 -12.109 -0.731 1.00 0.00 C ATOM 370 O VAL A 70 7.040 -11.788 0.357 1.00 0.00 O ATOM 371 CB VAL A 70 4.070 -12.042 -0.853 1.00 0.00 C ATOM 372 CG1 VAL A 70 4.088 -11.076 0.322 1.00 0.00 C ATOM 373 CG2 VAL A 70 4.012 -11.288 -2.173 1.00 0.00 C ATOM 0 H VAL A 70 4.730 -13.547 1.118 1.00 0.00 H new ATOM 0 HA VAL A 70 5.333 -13.562 -1.724 1.00 0.00 H new ATOM 0 HB VAL A 70 3.174 -12.658 -0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.210 -10.432 0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.078 -11.638 1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.989 -10.464 0.276 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.135 -10.641 -2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.911 -10.682 -2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.949 -12.000 -2.996 1.00 0.00 H new ATOM 383 N THR A 71 7.097 -11.741 -1.892 1.00 0.00 N ATOM 384 CA THR A 71 8.302 -10.922 -1.952 1.00 0.00 C ATOM 385 C THR A 71 7.985 -9.513 -2.440 1.00 0.00 C ATOM 386 O THR A 71 7.029 -9.306 -3.187 1.00 0.00 O ATOM 387 CB THR A 71 9.359 -11.548 -2.881 1.00 0.00 C ATOM 388 OG1 THR A 71 8.778 -11.850 -4.154 1.00 0.00 O ATOM 389 CG2 THR A 71 9.935 -12.816 -2.267 1.00 0.00 C ATOM 0 H THR A 71 6.715 -11.997 -2.802 1.00 0.00 H new ATOM 0 HA THR A 71 8.702 -10.872 -0.939 1.00 0.00 H new ATOM 0 HB THR A 71 10.166 -10.827 -3.014 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.844 -12.119 -4.032 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.679 -13.241 -2.941 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.404 -12.578 -1.312 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.135 -13.539 -2.108 1.00 0.00 H new ATOM 397 N GLU A 72 8.793 -8.548 -2.012 1.00 0.00 N ATOM 398 CA GLU A 72 8.597 -7.157 -2.405 1.00 0.00 C ATOM 399 C GLU A 72 8.322 -7.049 -3.903 1.00 0.00 C ATOM 400 O GLU A 72 7.449 -6.296 -4.333 1.00 0.00 O ATOM 401 CB GLU A 72 9.825 -6.323 -2.040 1.00 0.00 C ATOM 402 CG GLU A 72 10.122 -6.297 -0.549 1.00 0.00 C ATOM 403 CD GLU A 72 11.325 -5.439 -0.208 1.00 0.00 C ATOM 404 OE1 GLU A 72 12.161 -5.207 -1.106 1.00 0.00 O ATOM 405 OE2 GLU A 72 11.430 -5.000 0.955 1.00 0.00 O ATOM 0 H GLU A 72 9.589 -8.704 -1.393 1.00 0.00 H new ATOM 0 HA GLU A 72 7.732 -6.772 -1.865 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.693 -6.719 -2.568 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.677 -5.301 -2.390 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.249 -5.921 -0.015 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.296 -7.315 -0.199 1.00 0.00 H new ATOM 412 N THR A 73 9.076 -7.808 -4.693 1.00 0.00 N ATOM 413 CA THR A 73 8.916 -7.798 -6.141 1.00 0.00 C ATOM 414 C THR A 73 7.455 -7.608 -6.532 1.00 0.00 C ATOM 415 O THR A 73 7.136 -6.792 -7.396 1.00 0.00 O ATOM 416 CB THR A 73 9.440 -9.100 -6.774 1.00 0.00 C ATOM 417 OG1 THR A 73 10.801 -9.321 -6.386 1.00 0.00 O ATOM 418 CG2 THR A 73 9.342 -9.044 -8.290 1.00 0.00 C ATOM 0 H THR A 73 9.803 -8.437 -4.353 1.00 0.00 H new ATOM 0 HA THR A 73 9.502 -6.959 -6.517 1.00 0.00 H new ATOM 0 HB THR A 73 8.823 -9.924 -6.417 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.126 -10.152 -6.791 1.00 0.00 H new ATOM 0 HG21 THR A 73 9.718 -9.975 -8.714 1.00 0.00 H new ATOM 0 HG22 THR A 73 8.301 -8.907 -8.582 1.00 0.00 H new ATOM 0 HG23 THR A 73 9.936 -8.210 -8.662 1.00 0.00 H new ATOM 426 N GLU A 74 6.572 -8.366 -5.891 1.00 0.00 N ATOM 427 CA GLU A 74 5.144 -8.281 -6.173 1.00 0.00 C ATOM 428 C GLU A 74 4.628 -6.864 -5.937 1.00 0.00 C ATOM 429 O GLU A 74 4.202 -6.183 -6.872 1.00 0.00 O ATOM 430 CB GLU A 74 4.368 -9.269 -5.299 1.00 0.00 C ATOM 431 CG GLU A 74 4.539 -10.719 -5.723 1.00 0.00 C ATOM 432 CD GLU A 74 5.939 -11.241 -5.464 1.00 0.00 C ATOM 433 OE1 GLU A 74 6.861 -10.868 -6.218 1.00 0.00 O ATOM 434 OE2 GLU A 74 6.112 -12.024 -4.507 1.00 0.00 O ATOM 0 H GLU A 74 6.820 -9.046 -5.173 1.00 0.00 H new ATOM 0 HA GLU A 74 4.991 -8.537 -7.221 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.694 -9.160 -4.265 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.309 -9.013 -5.328 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.820 -11.338 -5.187 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.311 -10.813 -6.785 1.00 0.00 H new ATOM 441 N VAL A 75 4.666 -6.426 -4.683 1.00 0.00 N ATOM 442 CA VAL A 75 4.203 -5.091 -4.324 1.00 0.00 C ATOM 443 C VAL A 75 4.852 -4.029 -5.205 1.00 0.00 C ATOM 444 O VAL A 75 4.252 -2.993 -5.490 1.00 0.00 O ATOM 445 CB VAL A 75 4.503 -4.772 -2.847 1.00 0.00 C ATOM 446 CG1 VAL A 75 3.999 -3.382 -2.489 1.00 0.00 C ATOM 447 CG2 VAL A 75 3.884 -5.823 -1.939 1.00 0.00 C ATOM 0 H VAL A 75 5.013 -6.977 -3.898 1.00 0.00 H new ATOM 0 HA VAL A 75 3.124 -5.077 -4.479 1.00 0.00 H new ATOM 0 HB VAL A 75 5.583 -4.790 -2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.219 -3.174 -1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.494 -2.642 -3.118 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.922 -3.333 -2.650 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.106 -5.582 -0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.804 -5.840 -2.085 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.298 -6.802 -2.181 1.00 0.00 H new ATOM 457 N ILE A 76 6.081 -4.295 -5.633 1.00 0.00 N ATOM 458 CA ILE A 76 6.812 -3.362 -6.482 1.00 0.00 C ATOM 459 C ILE A 76 6.213 -3.311 -7.884 1.00 0.00 C ATOM 460 O ILE A 76 5.720 -2.273 -8.322 1.00 0.00 O ATOM 461 CB ILE A 76 8.301 -3.742 -6.586 1.00 0.00 C ATOM 462 CG1 ILE A 76 8.943 -3.759 -5.197 1.00 0.00 C ATOM 463 CG2 ILE A 76 9.032 -2.772 -7.501 1.00 0.00 C ATOM 464 CD1 ILE A 76 10.274 -4.476 -5.155 1.00 0.00 C ATOM 0 H ILE A 76 6.592 -5.148 -5.406 1.00 0.00 H new ATOM 0 HA ILE A 76 6.728 -2.380 -6.017 1.00 0.00 H new ATOM 0 HB ILE A 76 8.377 -4.742 -7.013 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.082 -2.733 -4.857 1.00 0.00 H new ATOM 0 HG13 ILE A 76 8.259 -4.237 -4.496 1.00 0.00 H new ATOM 0 HG21 ILE A 76 10.083 -3.054 -7.564 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.587 -2.804 -8.495 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.951 -1.762 -7.100 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.670 -4.449 -4.140 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.139 -5.513 -5.464 1.00 0.00 H new ATOM 0 HD13 ILE A 76 10.974 -3.984 -5.831 1.00 0.00 H new ATOM 476 N ALA A 77 6.260 -4.441 -8.583 1.00 0.00 N ATOM 477 CA ALA A 77 5.719 -4.527 -9.933 1.00 0.00 C ATOM 478 C ALA A 77 4.284 -4.011 -9.984 1.00 0.00 C ATOM 479 O ALA A 77 3.763 -3.700 -11.056 1.00 0.00 O ATOM 480 CB ALA A 77 5.784 -5.960 -10.438 1.00 0.00 C ATOM 0 H ALA A 77 6.667 -5.309 -8.236 1.00 0.00 H new ATOM 0 HA ALA A 77 6.328 -3.897 -10.582 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.376 -6.009 -11.448 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.821 -6.295 -10.449 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.201 -6.604 -9.780 1.00 0.00 H new ATOM 486 N LEU A 78 3.651 -3.923 -8.819 1.00 0.00 N ATOM 487 CA LEU A 78 2.275 -3.445 -8.731 1.00 0.00 C ATOM 488 C LEU A 78 2.237 -1.943 -8.470 1.00 0.00 C ATOM 489 O LEU A 78 1.258 -1.271 -8.796 1.00 0.00 O ATOM 490 CB LEU A 78 1.528 -4.187 -7.622 1.00 0.00 C ATOM 491 CG LEU A 78 1.101 -5.619 -7.941 1.00 0.00 C ATOM 492 CD1 LEU A 78 0.665 -6.341 -6.676 1.00 0.00 C ATOM 493 CD2 LEU A 78 -0.018 -5.626 -8.973 1.00 0.00 C ATOM 0 H LEU A 78 4.068 -4.176 -7.923 1.00 0.00 H new ATOM 0 HA LEU A 78 1.785 -3.641 -9.685 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.162 -4.207 -6.736 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.638 -3.613 -7.364 1.00 0.00 H new ATOM 0 HG LEU A 78 1.958 -6.147 -8.360 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.365 -7.359 -6.923 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.494 -6.369 -5.969 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.177 -5.813 -6.228 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.309 -6.654 -9.187 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.877 -5.080 -8.582 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.329 -5.149 -9.889 1.00 0.00 H new ATOM 505 N GLY A 79 3.309 -1.421 -7.883 1.00 0.00 N ATOM 506 CA GLY A 79 3.378 -0.002 -7.591 1.00 0.00 C ATOM 507 C GLY A 79 4.050 0.786 -8.698 1.00 0.00 C ATOM 508 O GLY A 79 3.798 1.981 -8.862 1.00 0.00 O ATOM 0 H GLY A 79 4.131 -1.956 -7.604 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.370 0.383 -7.435 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.924 0.148 -6.660 1.00 0.00 H new ATOM 512 N LEU A 80 4.909 0.118 -9.461 1.00 0.00 N ATOM 513 CA LEU A 80 5.621 0.763 -10.558 1.00 0.00 C ATOM 514 C LEU A 80 4.644 1.346 -11.574 1.00 0.00 C ATOM 515 O LEU A 80 4.823 2.454 -12.079 1.00 0.00 O ATOM 516 CB LEU A 80 6.554 -0.236 -11.245 1.00 0.00 C ATOM 517 CG LEU A 80 7.895 -0.487 -10.555 1.00 0.00 C ATOM 518 CD1 LEU A 80 8.528 -1.769 -11.071 1.00 0.00 C ATOM 519 CD2 LEU A 80 8.831 0.695 -10.765 1.00 0.00 C ATOM 0 H LEU A 80 5.129 -0.871 -9.340 1.00 0.00 H new ATOM 0 HA LEU A 80 6.214 1.578 -10.143 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.031 -1.188 -11.335 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.750 0.117 -12.257 1.00 0.00 H new ATOM 0 HG LEU A 80 7.717 -0.599 -9.485 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.482 -1.932 -10.569 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.864 -2.609 -10.869 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.693 -1.687 -12.145 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.781 0.500 -10.267 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.003 0.838 -11.832 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.380 1.595 -10.346 1.00 0.00 H new ATOM 531 N PRO A 81 3.583 0.584 -11.879 1.00 0.00 N ATOM 532 CA PRO A 81 2.554 1.005 -12.835 1.00 0.00 C ATOM 533 C PRO A 81 2.067 2.427 -12.573 1.00 0.00 C ATOM 534 O PRO A 81 2.013 3.253 -13.485 1.00 0.00 O ATOM 535 CB PRO A 81 1.422 0.001 -12.603 1.00 0.00 C ATOM 536 CG PRO A 81 2.098 -1.214 -12.067 1.00 0.00 C ATOM 537 CD PRO A 81 3.305 -0.747 -11.314 1.00 0.00 C ATOM 0 HA PRO A 81 2.929 1.017 -13.859 1.00 0.00 H new ATOM 0 HB2 PRO A 81 0.687 0.389 -11.898 1.00 0.00 H new ATOM 0 HB3 PRO A 81 0.891 -0.218 -13.529 1.00 0.00 H new ATOM 0 HG2 PRO A 81 1.427 -1.772 -11.413 1.00 0.00 H new ATOM 0 HG3 PRO A 81 2.384 -1.885 -12.877 1.00 0.00 H new ATOM 0 HD2 PRO A 81 3.111 -0.694 -10.243 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.148 -1.424 -11.452 1.00 0.00 H new ATOM 545 N PHE A 82 1.714 2.705 -11.322 1.00 0.00 N ATOM 546 CA PHE A 82 1.231 4.027 -10.941 1.00 0.00 C ATOM 547 C PHE A 82 2.391 5.007 -10.786 1.00 0.00 C ATOM 548 O PHE A 82 2.375 6.099 -11.352 1.00 0.00 O ATOM 549 CB PHE A 82 0.438 3.947 -9.635 1.00 0.00 C ATOM 550 CG PHE A 82 -0.654 2.916 -9.658 1.00 0.00 C ATOM 551 CD1 PHE A 82 -1.781 3.100 -10.443 1.00 0.00 C ATOM 552 CD2 PHE A 82 -0.554 1.764 -8.895 1.00 0.00 C ATOM 553 CE1 PHE A 82 -2.787 2.153 -10.466 1.00 0.00 C ATOM 554 CE2 PHE A 82 -1.558 0.814 -8.914 1.00 0.00 C ATOM 555 CZ PHE A 82 -2.676 1.009 -9.702 1.00 0.00 C ATOM 0 H PHE A 82 1.753 2.033 -10.556 1.00 0.00 H new ATOM 0 HA PHE A 82 0.576 4.389 -11.734 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.122 3.721 -8.817 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.001 4.923 -9.425 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.874 3.993 -11.043 1.00 0.00 H new ATOM 0 HD2 PHE A 82 0.318 1.606 -8.278 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.660 2.308 -11.082 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.469 -0.079 -8.314 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.461 0.268 -9.720 1.00 0.00 H new ATOM 565 N GLY A 83 3.397 4.606 -10.016 1.00 0.00 N ATOM 566 CA GLY A 83 4.550 5.459 -9.799 1.00 0.00 C ATOM 567 C GLY A 83 5.786 4.675 -9.404 1.00 0.00 C ATOM 568 O GLY A 83 5.714 3.470 -9.157 1.00 0.00 O ATOM 0 H GLY A 83 3.434 3.705 -9.538 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.757 6.023 -10.708 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.319 6.185 -9.019 1.00 0.00 H new ATOM 572 N LYS A 84 6.924 5.357 -9.343 1.00 0.00 N ATOM 573 CA LYS A 84 8.182 4.718 -8.975 1.00 0.00 C ATOM 574 C LYS A 84 8.261 4.501 -7.467 1.00 0.00 C ATOM 575 O LYS A 84 7.825 5.345 -6.685 1.00 0.00 O ATOM 576 CB LYS A 84 9.366 5.568 -9.442 1.00 0.00 C ATOM 577 CG LYS A 84 10.705 5.093 -8.905 1.00 0.00 C ATOM 578 CD LYS A 84 11.195 3.857 -9.641 1.00 0.00 C ATOM 579 CE LYS A 84 12.216 3.087 -8.817 1.00 0.00 C ATOM 580 NZ LYS A 84 12.462 1.726 -9.372 1.00 0.00 N ATOM 0 H LYS A 84 7.001 6.354 -9.544 1.00 0.00 H new ATOM 0 HA LYS A 84 8.225 3.746 -9.467 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.399 5.563 -10.532 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.206 6.601 -9.132 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.441 5.891 -9.003 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.614 4.872 -7.842 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.349 3.210 -9.871 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.640 4.151 -10.592 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.153 3.643 -8.788 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.864 3.002 -7.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.235 1.271 -8.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 11.598 1.153 -9.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.724 1.802 -10.375 1.00 0.00 H new ATOM 594 N VAL A 85 8.823 3.365 -7.066 1.00 0.00 N ATOM 595 CA VAL A 85 8.962 3.038 -5.652 1.00 0.00 C ATOM 596 C VAL A 85 10.170 3.741 -5.042 1.00 0.00 C ATOM 597 O VAL A 85 11.314 3.453 -5.396 1.00 0.00 O ATOM 598 CB VAL A 85 9.103 1.520 -5.438 1.00 0.00 C ATOM 599 CG1 VAL A 85 9.343 1.207 -3.969 1.00 0.00 C ATOM 600 CG2 VAL A 85 7.869 0.793 -5.951 1.00 0.00 C ATOM 0 H VAL A 85 9.189 2.656 -7.701 1.00 0.00 H new ATOM 0 HA VAL A 85 8.055 3.384 -5.156 1.00 0.00 H new ATOM 0 HB VAL A 85 9.966 1.170 -6.005 1.00 0.00 H new ATOM 0 HG11 VAL A 85 9.440 0.129 -3.838 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.259 1.697 -3.637 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.503 1.570 -3.378 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.986 -0.279 -5.792 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.989 1.146 -5.413 1.00 0.00 H new ATOM 0 HG23 VAL A 85 7.747 0.990 -7.016 1.00 0.00 H new ATOM 610 N THR A 86 9.909 4.664 -4.122 1.00 0.00 N ATOM 611 CA THR A 86 10.973 5.409 -3.462 1.00 0.00 C ATOM 612 C THR A 86 11.226 4.878 -2.056 1.00 0.00 C ATOM 613 O THR A 86 12.372 4.701 -1.645 1.00 0.00 O ATOM 614 CB THR A 86 10.641 6.911 -3.380 1.00 0.00 C ATOM 615 OG1 THR A 86 9.351 7.095 -2.787 1.00 0.00 O ATOM 616 CG2 THR A 86 10.666 7.547 -4.762 1.00 0.00 C ATOM 0 H THR A 86 8.968 4.914 -3.817 1.00 0.00 H new ATOM 0 HA THR A 86 11.872 5.276 -4.064 1.00 0.00 H new ATOM 0 HB THR A 86 11.397 7.395 -2.762 1.00 0.00 H new ATOM 0 HG1 THR A 86 9.214 8.045 -2.590 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.429 8.608 -4.679 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.658 7.430 -5.198 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.929 7.059 -5.400 1.00 0.00 H new ATOM 624 N ASN A 87 10.148 4.625 -1.321 1.00 0.00 N ATOM 625 CA ASN A 87 10.253 4.114 0.040 1.00 0.00 C ATOM 626 C ASN A 87 9.275 2.964 0.267 1.00 0.00 C ATOM 627 O ASN A 87 8.075 3.102 0.030 1.00 0.00 O ATOM 628 CB ASN A 87 9.985 5.232 1.050 1.00 0.00 C ATOM 629 CG ASN A 87 11.242 6.006 1.401 1.00 0.00 C ATOM 630 OD1 ASN A 87 12.134 6.174 0.570 1.00 0.00 O ATOM 631 ND2 ASN A 87 11.316 6.482 2.638 1.00 0.00 N ATOM 0 H ASN A 87 9.191 4.766 -1.646 1.00 0.00 H new ATOM 0 HA ASN A 87 11.267 3.740 0.183 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.242 5.917 0.642 1.00 0.00 H new ATOM 0 HB3 ASN A 87 9.559 4.804 1.958 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.137 7.011 2.933 1.00 0.00 H new ATOM 0 HD22 ASN A 87 10.552 6.318 3.294 1.00 0.00 H new ATOM 638 N ILE A 88 9.797 1.834 0.729 1.00 0.00 N ATOM 639 CA ILE A 88 8.971 0.661 0.989 1.00 0.00 C ATOM 640 C ILE A 88 9.233 0.103 2.383 1.00 0.00 C ATOM 641 O ILE A 88 10.337 0.226 2.916 1.00 0.00 O ATOM 642 CB ILE A 88 9.221 -0.446 -0.051 1.00 0.00 C ATOM 643 CG1 ILE A 88 8.327 -1.655 0.234 1.00 0.00 C ATOM 644 CG2 ILE A 88 10.686 -0.853 -0.051 1.00 0.00 C ATOM 645 CD1 ILE A 88 8.421 -2.738 -0.817 1.00 0.00 C ATOM 0 H ILE A 88 10.788 1.705 0.931 1.00 0.00 H new ATOM 0 HA ILE A 88 7.932 0.985 0.919 1.00 0.00 H new ATOM 0 HB ILE A 88 8.972 -0.058 -1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 88 8.597 -2.076 1.203 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.292 -1.322 0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 88 10.846 -1.636 -0.792 1.00 0.00 H new ATOM 0 HG22 ILE A 88 11.304 0.011 -0.297 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.960 -1.225 0.936 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.761 -3.563 -0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.122 -2.333 -1.784 1.00 0.00 H new ATOM 0 HD13 ILE A 88 9.448 -3.099 -0.876 1.00 0.00 H new ATOM 657 N LEU A 89 8.213 -0.514 2.969 1.00 0.00 N ATOM 658 CA LEU A 89 8.333 -1.095 4.302 1.00 0.00 C ATOM 659 C LEU A 89 7.609 -2.435 4.379 1.00 0.00 C ATOM 660 O LEU A 89 6.413 -2.522 4.104 1.00 0.00 O ATOM 661 CB LEU A 89 7.767 -0.137 5.351 1.00 0.00 C ATOM 662 CG LEU A 89 8.005 -0.522 6.811 1.00 0.00 C ATOM 663 CD1 LEU A 89 9.481 -0.412 7.159 1.00 0.00 C ATOM 664 CD2 LEU A 89 7.169 0.349 7.736 1.00 0.00 C ATOM 0 H LEU A 89 7.293 -0.625 2.542 1.00 0.00 H new ATOM 0 HA LEU A 89 9.391 -1.262 4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.197 0.850 5.182 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.693 -0.048 5.190 1.00 0.00 H new ATOM 0 HG LEU A 89 7.698 -1.559 6.948 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.631 -0.690 8.202 1.00 0.00 H new ATOM 0 HD12 LEU A 89 10.057 -1.081 6.519 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.816 0.614 7.005 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.352 0.060 8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.443 1.395 7.597 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.112 0.217 7.504 1.00 0.00 H new ATOM 676 N MET A 90 8.342 -3.477 4.758 1.00 0.00 N ATOM 677 CA MET A 90 7.768 -4.813 4.875 1.00 0.00 C ATOM 678 C MET A 90 7.993 -5.380 6.272 1.00 0.00 C ATOM 679 O MET A 90 9.057 -5.199 6.864 1.00 0.00 O ATOM 680 CB MET A 90 8.380 -5.748 3.828 1.00 0.00 C ATOM 681 CG MET A 90 7.971 -7.201 3.999 1.00 0.00 C ATOM 682 SD MET A 90 7.955 -8.107 2.440 1.00 0.00 S ATOM 683 CE MET A 90 6.815 -7.111 1.482 1.00 0.00 C ATOM 0 H MET A 90 9.334 -3.422 4.989 1.00 0.00 H new ATOM 0 HA MET A 90 6.695 -4.737 4.701 1.00 0.00 H new ATOM 0 HB2 MET A 90 8.085 -5.410 2.834 1.00 0.00 H new ATOM 0 HB3 MET A 90 9.466 -5.676 3.879 1.00 0.00 H new ATOM 0 HG2 MET A 90 8.658 -7.689 4.691 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.980 -7.245 4.450 1.00 0.00 H new ATOM 0 HE1 MET A 90 6.331 -7.734 0.730 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.059 -6.686 2.143 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.360 -6.306 0.990 1.00 0.00 H new ATOM 693 N LEU A 91 6.983 -6.068 6.795 1.00 0.00 N ATOM 694 CA LEU A 91 7.070 -6.662 8.125 1.00 0.00 C ATOM 695 C LEU A 91 7.067 -8.185 8.042 1.00 0.00 C ATOM 696 O LEU A 91 6.384 -8.771 7.201 1.00 0.00 O ATOM 697 CB LEU A 91 5.906 -6.185 8.996 1.00 0.00 C ATOM 698 CG LEU A 91 5.967 -4.728 9.458 1.00 0.00 C ATOM 699 CD1 LEU A 91 4.663 -4.328 10.132 1.00 0.00 C ATOM 700 CD2 LEU A 91 7.144 -4.516 10.399 1.00 0.00 C ATOM 0 H LEU A 91 6.095 -6.228 6.319 1.00 0.00 H new ATOM 0 HA LEU A 91 8.009 -6.343 8.578 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.979 -6.331 8.441 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.853 -6.823 9.878 1.00 0.00 H new ATOM 0 HG LEU A 91 6.109 -4.094 8.583 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.724 -3.289 10.454 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.839 -4.442 9.427 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.490 -4.967 10.998 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.172 -3.474 10.718 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.033 -5.159 11.272 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.072 -4.762 9.883 1.00 0.00 H new ATOM 763 N ASN A 95 1.202 -10.528 8.119 1.00 0.00 N ATOM 764 CA ASN A 95 1.155 -9.902 6.802 1.00 0.00 C ATOM 765 C ASN A 95 0.867 -8.408 6.919 1.00 0.00 C ATOM 766 O ASN A 95 -0.258 -8.006 7.212 1.00 0.00 O ATOM 767 CB ASN A 95 0.090 -10.572 5.933 1.00 0.00 C ATOM 768 CG ASN A 95 0.630 -11.767 5.172 1.00 0.00 C ATOM 769 OD1 ASN A 95 1.783 -11.770 4.738 1.00 0.00 O ATOM 770 ND2 ASN A 95 -0.201 -12.789 5.006 1.00 0.00 N ATOM 0 HA ASN A 95 2.130 -10.030 6.332 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -0.740 -10.891 6.563 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.308 -9.844 5.226 1.00 0.00 H new ATOM 0 HD21 ASN A 95 0.107 -13.620 4.502 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -1.148 -12.743 5.383 1.00 0.00 H new ATOM 777 N GLN A 96 1.891 -7.594 6.688 1.00 0.00 N ATOM 778 CA GLN A 96 1.748 -6.146 6.768 1.00 0.00 C ATOM 779 C GLN A 96 2.929 -5.444 6.107 1.00 0.00 C ATOM 780 O GLN A 96 4.083 -5.815 6.321 1.00 0.00 O ATOM 781 CB GLN A 96 1.628 -5.703 8.228 1.00 0.00 C ATOM 782 CG GLN A 96 0.280 -6.025 8.853 1.00 0.00 C ATOM 783 CD GLN A 96 -0.037 -5.141 10.043 1.00 0.00 C ATOM 784 OE1 GLN A 96 -0.354 -3.962 9.888 1.00 0.00 O ATOM 785 NE2 GLN A 96 0.045 -5.709 11.241 1.00 0.00 N ATOM 0 H GLN A 96 2.829 -7.913 6.444 1.00 0.00 H new ATOM 0 HA GLN A 96 0.839 -5.867 6.235 1.00 0.00 H new ATOM 0 HB2 GLN A 96 2.413 -6.184 8.811 1.00 0.00 H new ATOM 0 HB3 GLN A 96 1.800 -4.628 8.288 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -0.501 -5.910 8.102 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.269 -7.069 9.167 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.312 -6.690 11.323 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.159 -5.164 12.079 1.00 0.00 H new ATOM 794 N ALA A 97 2.634 -4.429 5.302 1.00 0.00 N ATOM 795 CA ALA A 97 3.672 -3.674 4.611 1.00 0.00 C ATOM 796 C ALA A 97 3.142 -2.329 4.126 1.00 0.00 C ATOM 797 O ALA A 97 1.966 -2.198 3.787 1.00 0.00 O ATOM 798 CB ALA A 97 4.221 -4.479 3.442 1.00 0.00 C ATOM 0 H ALA A 97 1.684 -4.110 5.112 1.00 0.00 H new ATOM 0 HA ALA A 97 4.479 -3.484 5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.995 -3.903 2.935 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.646 -5.412 3.811 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.415 -4.699 2.742 1.00 0.00 H new ATOM 804 N PHE A 98 4.018 -1.330 4.096 1.00 0.00 N ATOM 805 CA PHE A 98 3.638 0.007 3.655 1.00 0.00 C ATOM 806 C PHE A 98 4.474 0.442 2.454 1.00 0.00 C ATOM 807 O PHE A 98 5.692 0.260 2.433 1.00 0.00 O ATOM 808 CB PHE A 98 3.805 1.012 4.797 1.00 0.00 C ATOM 809 CG PHE A 98 3.238 0.533 6.103 1.00 0.00 C ATOM 810 CD1 PHE A 98 3.907 -0.419 6.857 1.00 0.00 C ATOM 811 CD2 PHE A 98 2.037 1.034 6.578 1.00 0.00 C ATOM 812 CE1 PHE A 98 3.388 -0.861 8.058 1.00 0.00 C ATOM 813 CE2 PHE A 98 1.513 0.596 7.779 1.00 0.00 C ATOM 814 CZ PHE A 98 2.190 -0.352 8.521 1.00 0.00 C ATOM 0 H PHE A 98 4.996 -1.421 4.372 1.00 0.00 H new ATOM 0 HA PHE A 98 2.590 -0.021 3.356 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.865 1.229 4.928 1.00 0.00 H new ATOM 0 HB3 PHE A 98 3.320 1.948 4.521 1.00 0.00 H new ATOM 0 HD1 PHE A 98 4.845 -0.819 6.501 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.504 1.776 6.002 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.918 -1.604 8.635 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.575 0.994 8.137 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.784 -0.695 9.461 1.00 0.00 H new ATOM 824 N LEU A 99 3.812 1.015 1.456 1.00 0.00 N ATOM 825 CA LEU A 99 4.492 1.477 0.251 1.00 0.00 C ATOM 826 C LEU A 99 4.451 2.997 0.149 1.00 0.00 C ATOM 827 O LEU A 99 3.490 3.632 0.586 1.00 0.00 O ATOM 828 CB LEU A 99 3.851 0.854 -0.991 1.00 0.00 C ATOM 829 CG LEU A 99 4.671 0.930 -2.279 1.00 0.00 C ATOM 830 CD1 LEU A 99 5.860 -0.016 -2.212 1.00 0.00 C ATOM 831 CD2 LEU A 99 3.800 0.608 -3.485 1.00 0.00 C ATOM 0 H LEU A 99 2.804 1.171 1.457 1.00 0.00 H new ATOM 0 HA LEU A 99 5.534 1.164 0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.640 -0.194 -0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.893 1.343 -1.165 1.00 0.00 H new ATOM 0 HG LEU A 99 5.047 1.947 -2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.432 0.052 -3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.497 0.259 -1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.505 -1.038 -2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.400 0.667 -4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.394 -0.399 -3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.981 1.325 -3.544 1.00 0.00 H new ATOM 843 N GLU A 100 5.498 3.576 -0.430 1.00 0.00 N ATOM 844 CA GLU A 100 5.580 5.024 -0.589 1.00 0.00 C ATOM 845 C GLU A 100 6.153 5.388 -1.955 1.00 0.00 C ATOM 846 O GLU A 100 7.332 5.158 -2.228 1.00 0.00 O ATOM 847 CB GLU A 100 6.442 5.633 0.518 1.00 0.00 C ATOM 848 CG GLU A 100 6.663 7.128 0.364 1.00 0.00 C ATOM 849 CD GLU A 100 7.031 7.801 1.672 1.00 0.00 C ATOM 850 OE1 GLU A 100 8.161 7.579 2.156 1.00 0.00 O ATOM 851 OE2 GLU A 100 6.191 8.551 2.211 1.00 0.00 O ATOM 0 H GLU A 100 6.301 3.065 -0.797 1.00 0.00 H new ATOM 0 HA GLU A 100 4.571 5.430 -0.517 1.00 0.00 H new ATOM 0 HB2 GLU A 100 5.970 5.441 1.482 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.409 5.131 0.532 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.455 7.301 -0.365 1.00 0.00 H new ATOM 0 HG3 GLU A 100 5.758 7.586 -0.034 1.00 0.00 H new ATOM 858 N LEU A 101 5.312 5.959 -2.810 1.00 0.00 N ATOM 859 CA LEU A 101 5.734 6.357 -4.149 1.00 0.00 C ATOM 860 C LEU A 101 6.421 7.718 -4.121 1.00 0.00 C ATOM 861 O LEU A 101 6.126 8.556 -3.270 1.00 0.00 O ATOM 862 CB LEU A 101 4.531 6.399 -5.093 1.00 0.00 C ATOM 863 CG LEU A 101 3.959 5.045 -5.513 1.00 0.00 C ATOM 864 CD1 LEU A 101 3.135 4.441 -4.386 1.00 0.00 C ATOM 865 CD2 LEU A 101 3.118 5.188 -6.772 1.00 0.00 C ATOM 0 H LEU A 101 4.334 6.157 -2.600 1.00 0.00 H new ATOM 0 HA LEU A 101 6.448 5.618 -4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.738 6.973 -4.613 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.819 6.944 -5.992 1.00 0.00 H new ATOM 0 HG LEU A 101 4.790 4.373 -5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.736 3.478 -4.703 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.766 4.301 -3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.312 5.111 -4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.719 4.214 -7.056 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.294 5.876 -6.583 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.737 5.576 -7.581 1.00 0.00 H new ATOM 877 N ALA A 102 7.338 7.931 -5.059 1.00 0.00 N ATOM 878 CA ALA A 102 8.064 9.193 -5.145 1.00 0.00 C ATOM 879 C ALA A 102 7.157 10.372 -4.811 1.00 0.00 C ATOM 880 O ALA A 102 7.452 11.161 -3.913 1.00 0.00 O ATOM 881 CB ALA A 102 8.664 9.363 -6.533 1.00 0.00 C ATOM 0 H ALA A 102 7.596 7.247 -5.770 1.00 0.00 H new ATOM 0 HA ALA A 102 8.871 9.170 -4.412 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.203 10.309 -6.583 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.352 8.542 -6.735 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.867 9.360 -7.277 1.00 0.00 H new ATOM 887 N THR A 103 6.051 10.488 -5.539 1.00 0.00 N ATOM 888 CA THR A 103 5.102 11.572 -5.322 1.00 0.00 C ATOM 889 C THR A 103 3.775 11.043 -4.789 1.00 0.00 C ATOM 890 O THR A 103 3.412 9.894 -5.036 1.00 0.00 O ATOM 891 CB THR A 103 4.843 12.361 -6.620 1.00 0.00 C ATOM 892 OG1 THR A 103 4.354 11.482 -7.638 1.00 0.00 O ATOM 893 CG2 THR A 103 6.115 13.045 -7.101 1.00 0.00 C ATOM 0 H THR A 103 5.790 9.843 -6.285 1.00 0.00 H new ATOM 0 HA THR A 103 5.547 12.238 -4.583 1.00 0.00 H new ATOM 0 HB THR A 103 4.095 13.126 -6.411 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.190 11.991 -8.459 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.907 13.596 -8.018 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.469 13.736 -6.335 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.881 12.294 -7.294 1.00 0.00 H new ATOM 901 N GLU A 104 3.057 11.890 -4.058 1.00 0.00 N ATOM 902 CA GLU A 104 1.770 11.505 -3.491 1.00 0.00 C ATOM 903 C GLU A 104 0.741 11.263 -4.591 1.00 0.00 C ATOM 904 O GLU A 104 0.024 10.264 -4.574 1.00 0.00 O ATOM 905 CB GLU A 104 1.266 12.588 -2.535 1.00 0.00 C ATOM 906 CG GLU A 104 1.006 13.924 -3.209 1.00 0.00 C ATOM 907 CD GLU A 104 1.132 15.095 -2.255 1.00 0.00 C ATOM 908 OE1 GLU A 104 0.148 15.388 -1.544 1.00 0.00 O ATOM 909 OE2 GLU A 104 2.214 15.718 -2.218 1.00 0.00 O ATOM 0 H GLU A 104 3.344 12.845 -3.845 1.00 0.00 H new ATOM 0 HA GLU A 104 1.908 10.576 -2.937 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.346 12.244 -2.063 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.999 12.728 -1.740 1.00 0.00 H new ATOM 0 HG2 GLU A 104 1.709 14.054 -4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.006 13.919 -3.642 1.00 0.00 H new ATOM 916 N GLU A 105 0.674 12.187 -5.545 1.00 0.00 N ATOM 917 CA GLU A 105 -0.268 12.075 -6.652 1.00 0.00 C ATOM 918 C GLU A 105 -0.385 10.627 -7.122 1.00 0.00 C ATOM 919 O GLU A 105 -1.484 10.084 -7.225 1.00 0.00 O ATOM 920 CB GLU A 105 0.170 12.967 -7.816 1.00 0.00 C ATOM 921 CG GLU A 105 -0.943 13.263 -8.806 1.00 0.00 C ATOM 922 CD GLU A 105 -0.422 13.546 -10.203 1.00 0.00 C ATOM 923 OE1 GLU A 105 -0.015 14.697 -10.461 1.00 0.00 O ATOM 924 OE2 GLU A 105 -0.421 12.615 -11.035 1.00 0.00 O ATOM 0 H GLU A 105 1.261 13.021 -5.573 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.245 12.405 -6.299 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.551 13.908 -7.419 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.994 12.485 -8.342 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -1.627 12.415 -8.842 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -1.517 14.121 -8.456 1.00 0.00 H new ATOM 931 N ALA A 106 0.758 10.010 -7.408 1.00 0.00 N ATOM 932 CA ALA A 106 0.785 8.627 -7.865 1.00 0.00 C ATOM 933 C ALA A 106 0.055 7.711 -6.888 1.00 0.00 C ATOM 934 O ALA A 106 -0.824 6.944 -7.280 1.00 0.00 O ATOM 935 CB ALA A 106 2.221 8.161 -8.056 1.00 0.00 C ATOM 0 H ALA A 106 1.676 10.447 -7.331 1.00 0.00 H new ATOM 0 HA ALA A 106 0.269 8.578 -8.824 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.225 7.126 -8.398 1.00 0.00 H new ATOM 0 HB2 ALA A 106 2.712 8.790 -8.798 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.756 8.233 -7.109 1.00 0.00 H new ATOM 941 N ALA A 107 0.427 7.796 -5.615 1.00 0.00 N ATOM 942 CA ALA A 107 -0.194 6.975 -4.583 1.00 0.00 C ATOM 943 C ALA A 107 -1.713 7.102 -4.619 1.00 0.00 C ATOM 944 O ALA A 107 -2.432 6.117 -4.452 1.00 0.00 O ATOM 945 CB ALA A 107 0.338 7.363 -3.211 1.00 0.00 C ATOM 0 H ALA A 107 1.154 8.424 -5.274 1.00 0.00 H new ATOM 0 HA ALA A 107 0.061 5.934 -4.779 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.134 6.742 -2.449 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.417 7.214 -3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 107 0.112 8.411 -3.016 1.00 0.00 H new ATOM 951 N ILE A 108 -2.194 8.322 -4.836 1.00 0.00 N ATOM 952 CA ILE A 108 -3.629 8.577 -4.895 1.00 0.00 C ATOM 953 C ILE A 108 -4.284 7.779 -6.017 1.00 0.00 C ATOM 954 O ILE A 108 -5.233 7.028 -5.789 1.00 0.00 O ATOM 955 CB ILE A 108 -3.927 10.073 -5.103 1.00 0.00 C ATOM 956 CG1 ILE A 108 -3.252 10.906 -4.011 1.00 0.00 C ATOM 957 CG2 ILE A 108 -5.428 10.318 -5.112 1.00 0.00 C ATOM 958 CD1 ILE A 108 -3.288 12.395 -4.277 1.00 0.00 C ATOM 0 H ILE A 108 -1.612 9.148 -4.974 1.00 0.00 H new ATOM 0 HA ILE A 108 -4.045 8.262 -3.938 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.523 10.378 -6.068 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.740 10.704 -3.057 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -2.214 10.588 -3.912 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -5.622 11.380 -5.260 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -5.885 9.749 -5.922 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -5.854 10.000 -4.160 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.792 12.922 -3.462 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -2.775 12.610 -5.214 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -4.324 12.727 -4.346 1.00 0.00 H new ATOM 970 N THR A 109 -3.770 7.946 -7.232 1.00 0.00 N ATOM 971 CA THR A 109 -4.304 7.240 -8.390 1.00 0.00 C ATOM 972 C THR A 109 -4.279 5.732 -8.176 1.00 0.00 C ATOM 973 O THR A 109 -5.218 5.027 -8.545 1.00 0.00 O ATOM 974 CB THR A 109 -3.513 7.580 -9.667 1.00 0.00 C ATOM 975 OG1 THR A 109 -3.550 8.991 -9.907 1.00 0.00 O ATOM 976 CG2 THR A 109 -4.084 6.842 -10.870 1.00 0.00 C ATOM 0 H THR A 109 -2.985 8.564 -7.439 1.00 0.00 H new ATOM 0 HA THR A 109 -5.336 7.568 -8.512 1.00 0.00 H new ATOM 0 HB THR A 109 -2.480 7.264 -9.522 1.00 0.00 H new ATOM 0 HG1 THR A 109 -3.043 9.198 -10.720 1.00 0.00 H new ATOM 0 HG21 THR A 109 -3.509 7.098 -11.760 1.00 0.00 H new ATOM 0 HG22 THR A 109 -4.027 5.767 -10.698 1.00 0.00 H new ATOM 0 HG23 THR A 109 -5.125 7.132 -11.014 1.00 0.00 H new ATOM 984 N MET A 110 -3.198 5.242 -7.578 1.00 0.00 N ATOM 985 CA MET A 110 -3.053 3.816 -7.312 1.00 0.00 C ATOM 986 C MET A 110 -4.325 3.245 -6.694 1.00 0.00 C ATOM 987 O MET A 110 -4.985 2.389 -7.285 1.00 0.00 O ATOM 988 CB MET A 110 -1.864 3.567 -6.382 1.00 0.00 C ATOM 989 CG MET A 110 -1.761 2.129 -5.898 1.00 0.00 C ATOM 990 SD MET A 110 -0.070 1.650 -5.499 1.00 0.00 S ATOM 991 CE MET A 110 -0.339 0.040 -4.760 1.00 0.00 C ATOM 0 H MET A 110 -2.410 5.811 -7.269 1.00 0.00 H new ATOM 0 HA MET A 110 -2.874 3.312 -8.262 1.00 0.00 H new ATOM 0 HB2 MET A 110 -0.944 3.833 -6.903 1.00 0.00 H new ATOM 0 HB3 MET A 110 -1.944 4.227 -5.519 1.00 0.00 H new ATOM 0 HG2 MET A 110 -2.388 2.001 -5.016 1.00 0.00 H new ATOM 0 HG3 MET A 110 -2.152 1.462 -6.667 1.00 0.00 H new ATOM 0 HE1 MET A 110 0.618 -0.387 -4.460 1.00 0.00 H new ATOM 0 HE2 MET A 110 -0.980 0.144 -3.885 1.00 0.00 H new ATOM 0 HE3 MET A 110 -0.818 -0.618 -5.485 1.00 0.00 H new ATOM 1001 N VAL A 111 -4.664 3.723 -5.501 1.00 0.00 N ATOM 1002 CA VAL A 111 -5.858 3.260 -4.803 1.00 0.00 C ATOM 1003 C VAL A 111 -7.117 3.566 -5.606 1.00 0.00 C ATOM 1004 O VAL A 111 -8.035 2.749 -5.675 1.00 0.00 O ATOM 1005 CB VAL A 111 -5.980 3.908 -3.411 1.00 0.00 C ATOM 1006 CG1 VAL A 111 -7.251 3.443 -2.715 1.00 0.00 C ATOM 1007 CG2 VAL A 111 -4.755 3.592 -2.567 1.00 0.00 C ATOM 0 H VAL A 111 -4.129 4.431 -4.998 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.759 2.181 -4.686 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.037 4.989 -3.537 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -7.320 3.911 -1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -8.117 3.725 -3.313 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -7.227 2.359 -2.599 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.858 4.058 -1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.664 2.512 -2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.863 3.979 -3.060 1.00 0.00 H new ATOM 1017 N ASN A 112 -7.153 4.748 -6.213 1.00 0.00 N ATOM 1018 CA ASN A 112 -8.300 5.162 -7.013 1.00 0.00 C ATOM 1019 C ASN A 112 -8.645 4.104 -8.058 1.00 0.00 C ATOM 1020 O ASN A 112 -9.768 3.602 -8.099 1.00 0.00 O ATOM 1021 CB ASN A 112 -8.013 6.499 -7.700 1.00 0.00 C ATOM 1022 CG ASN A 112 -7.937 7.649 -6.715 1.00 0.00 C ATOM 1023 OD1 ASN A 112 -6.970 8.412 -6.709 1.00 0.00 O ATOM 1024 ND2 ASN A 112 -8.958 7.779 -5.877 1.00 0.00 N ATOM 0 H ASN A 112 -6.401 5.436 -6.166 1.00 0.00 H new ATOM 0 HA ASN A 112 -9.154 5.280 -6.345 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -7.073 6.429 -8.247 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -8.793 6.703 -8.433 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -8.962 8.535 -5.192 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -9.738 7.123 -5.918 1.00 0.00 H new ATOM 1031 N TYR A 113 -7.672 3.771 -8.898 1.00 0.00 N ATOM 1032 CA TYR A 113 -7.873 2.775 -9.944 1.00 0.00 C ATOM 1033 C TYR A 113 -8.484 1.500 -9.371 1.00 0.00 C ATOM 1034 O TYR A 113 -9.389 0.911 -9.963 1.00 0.00 O ATOM 1035 CB TYR A 113 -6.545 2.453 -10.632 1.00 0.00 C ATOM 1036 CG TYR A 113 -6.612 1.248 -11.542 1.00 0.00 C ATOM 1037 CD1 TYR A 113 -6.979 1.379 -12.876 1.00 0.00 C ATOM 1038 CD2 TYR A 113 -6.309 -0.023 -11.068 1.00 0.00 C ATOM 1039 CE1 TYR A 113 -7.042 0.281 -13.711 1.00 0.00 C ATOM 1040 CE2 TYR A 113 -6.368 -1.126 -11.896 1.00 0.00 C ATOM 1041 CZ TYR A 113 -6.735 -0.970 -13.217 1.00 0.00 C ATOM 1042 OH TYR A 113 -6.796 -2.068 -14.046 1.00 0.00 O ATOM 0 H TYR A 113 -6.736 4.176 -8.875 1.00 0.00 H new ATOM 0 HA TYR A 113 -8.564 3.190 -10.678 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -6.227 3.319 -11.212 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -5.783 2.282 -9.871 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -7.219 2.357 -13.267 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -6.023 -0.150 -10.034 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -7.330 0.401 -14.745 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -6.128 -2.106 -11.512 1.00 0.00 H new ATOM 0 HH TYR A 113 -6.549 -2.872 -13.543 1.00 0.00 H new ATOM 1052 N TYR A 114 -7.983 1.080 -8.215 1.00 0.00 N ATOM 1053 CA TYR A 114 -8.477 -0.128 -7.561 1.00 0.00 C ATOM 1054 C TYR A 114 -9.916 0.059 -7.091 1.00 0.00 C ATOM 1055 O TYR A 114 -10.723 -0.870 -7.144 1.00 0.00 O ATOM 1056 CB TYR A 114 -7.584 -0.492 -6.374 1.00 0.00 C ATOM 1057 CG TYR A 114 -6.271 -1.125 -6.776 1.00 0.00 C ATOM 1058 CD1 TYR A 114 -6.232 -2.172 -7.688 1.00 0.00 C ATOM 1059 CD2 TYR A 114 -5.069 -0.675 -6.244 1.00 0.00 C ATOM 1060 CE1 TYR A 114 -5.035 -2.754 -8.057 1.00 0.00 C ATOM 1061 CE2 TYR A 114 -3.866 -1.249 -6.609 1.00 0.00 C ATOM 1062 CZ TYR A 114 -3.855 -2.289 -7.515 1.00 0.00 C ATOM 1063 OH TYR A 114 -2.660 -2.864 -7.881 1.00 0.00 O ATOM 0 H TYR A 114 -7.236 1.557 -7.711 1.00 0.00 H new ATOM 0 HA TYR A 114 -8.453 -0.941 -8.287 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -7.381 0.408 -5.793 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -8.124 -1.178 -5.721 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -7.154 -2.537 -8.116 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -5.075 0.138 -5.533 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -5.023 -3.569 -8.766 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -2.940 -0.886 -6.188 1.00 0.00 H new ATOM 0 HH TYR A 114 -1.925 -2.419 -7.409 1.00 0.00 H new ATOM 1073 N SER A 115 -10.231 1.265 -6.632 1.00 0.00 N ATOM 1074 CA SER A 115 -11.572 1.574 -6.149 1.00 0.00 C ATOM 1075 C SER A 115 -12.627 0.835 -6.966 1.00 0.00 C ATOM 1076 O SER A 115 -13.613 0.339 -6.422 1.00 0.00 O ATOM 1077 CB SER A 115 -11.825 3.082 -6.213 1.00 0.00 C ATOM 1078 OG SER A 115 -13.056 3.418 -5.597 1.00 0.00 O ATOM 0 H SER A 115 -9.576 2.045 -6.584 1.00 0.00 H new ATOM 0 HA SER A 115 -11.643 1.244 -5.113 1.00 0.00 H new ATOM 0 HB2 SER A 115 -11.011 3.612 -5.719 1.00 0.00 H new ATOM 0 HB3 SER A 115 -11.834 3.409 -7.253 1.00 0.00 H new ATOM 0 HG SER A 115 -13.194 4.387 -5.649 1.00 0.00 H new ATOM 1084 N ALA A 116 -12.411 0.765 -8.275 1.00 0.00 N ATOM 1085 CA ALA A 116 -13.341 0.085 -9.168 1.00 0.00 C ATOM 1086 C ALA A 116 -12.906 -1.354 -9.421 1.00 0.00 C ATOM 1087 O ALA A 116 -13.730 -2.269 -9.436 1.00 0.00 O ATOM 1088 CB ALA A 116 -13.460 0.842 -10.482 1.00 0.00 C ATOM 0 H ALA A 116 -11.600 1.171 -8.741 1.00 0.00 H new ATOM 0 HA ALA A 116 -14.318 0.062 -8.686 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -14.158 0.323 -11.139 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -13.825 1.851 -10.289 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -12.482 0.896 -10.961 1.00 0.00 H new ATOM 1094 N VAL A 117 -11.606 -1.548 -9.621 1.00 0.00 N ATOM 1095 CA VAL A 117 -11.061 -2.877 -9.873 1.00 0.00 C ATOM 1096 C VAL A 117 -10.406 -3.449 -8.621 1.00 0.00 C ATOM 1097 O VAL A 117 -9.572 -2.797 -7.991 1.00 0.00 O ATOM 1098 CB VAL A 117 -10.028 -2.852 -11.015 1.00 0.00 C ATOM 1099 CG1 VAL A 117 -9.438 -4.237 -11.231 1.00 0.00 C ATOM 1100 CG2 VAL A 117 -10.661 -2.327 -12.294 1.00 0.00 C ATOM 0 H VAL A 117 -10.911 -0.802 -9.613 1.00 0.00 H new ATOM 0 HA VAL A 117 -11.897 -3.513 -10.164 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.218 -2.178 -10.735 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -8.710 -4.200 -12.042 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -8.946 -4.570 -10.317 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.234 -4.935 -11.490 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.917 -2.316 -13.090 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -11.491 -2.973 -12.581 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -11.030 -1.315 -12.128 1.00 0.00 H new ATOM 1110 N THR A 118 -10.786 -4.672 -8.266 1.00 0.00 N ATOM 1111 CA THR A 118 -10.236 -5.333 -7.089 1.00 0.00 C ATOM 1112 C THR A 118 -9.164 -6.344 -7.478 1.00 0.00 C ATOM 1113 O THR A 118 -9.425 -7.325 -8.174 1.00 0.00 O ATOM 1114 CB THR A 118 -11.335 -6.050 -6.283 1.00 0.00 C ATOM 1115 OG1 THR A 118 -12.412 -5.146 -6.012 1.00 0.00 O ATOM 1116 CG2 THR A 118 -10.779 -6.591 -4.975 1.00 0.00 C ATOM 0 H THR A 118 -11.473 -5.226 -8.777 1.00 0.00 H new ATOM 0 HA THR A 118 -9.790 -4.556 -6.468 1.00 0.00 H new ATOM 0 HB THR A 118 -11.704 -6.886 -6.877 1.00 0.00 H new ATOM 0 HG1 THR A 118 -13.108 -5.610 -5.501 1.00 0.00 H new ATOM 0 HG21 THR A 118 -11.573 -7.093 -4.422 1.00 0.00 H new ATOM 0 HG22 THR A 118 -9.979 -7.300 -5.186 1.00 0.00 H new ATOM 0 HG23 THR A 118 -10.386 -5.768 -4.378 1.00 0.00 H new ATOM 1124 N PRO A 119 -7.928 -6.103 -7.017 1.00 0.00 N ATOM 1125 CA PRO A 119 -6.791 -6.984 -7.303 1.00 0.00 C ATOM 1126 C PRO A 119 -6.826 -8.265 -6.475 1.00 0.00 C ATOM 1127 O PRO A 119 -7.567 -8.363 -5.497 1.00 0.00 O ATOM 1128 CB PRO A 119 -5.578 -6.133 -6.918 1.00 0.00 C ATOM 1129 CG PRO A 119 -6.085 -5.201 -5.873 1.00 0.00 C ATOM 1130 CD PRO A 119 -7.544 -4.954 -6.180 1.00 0.00 C ATOM 0 HA PRO A 119 -6.785 -7.317 -8.341 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -4.766 -6.752 -6.536 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -5.187 -5.589 -7.778 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -5.967 -5.633 -4.879 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -5.524 -4.266 -5.883 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -8.141 -4.905 -5.270 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -7.688 -4.010 -6.706 1.00 0.00 H new ATOM 1138 N HIS A 120 -6.022 -9.245 -6.873 1.00 0.00 N ATOM 1139 CA HIS A 120 -5.961 -10.519 -6.167 1.00 0.00 C ATOM 1140 C HIS A 120 -4.657 -11.248 -6.474 1.00 0.00 C ATOM 1141 O HIS A 120 -4.468 -11.770 -7.574 1.00 0.00 O ATOM 1142 CB HIS A 120 -7.152 -11.396 -6.553 1.00 0.00 C ATOM 1143 CG HIS A 120 -8.463 -10.673 -6.524 1.00 0.00 C ATOM 1144 ND1 HIS A 120 -9.265 -10.611 -5.403 1.00 0.00 N ATOM 1145 CD2 HIS A 120 -9.111 -9.977 -7.487 1.00 0.00 C ATOM 1146 CE1 HIS A 120 -10.349 -9.910 -5.678 1.00 0.00 C ATOM 1147 NE2 HIS A 120 -10.281 -9.513 -6.937 1.00 0.00 N ATOM 0 H HIS A 120 -5.403 -9.181 -7.681 1.00 0.00 H new ATOM 0 HA HIS A 120 -6.000 -10.316 -5.097 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -6.989 -11.796 -7.554 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -7.201 -12.247 -5.874 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -8.771 -9.816 -8.500 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -11.155 -9.697 -4.991 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -10.983 -8.953 -7.421 1.00 0.00 H new ATOM 1155 N LEU A 121 -3.758 -11.280 -5.496 1.00 0.00 N ATOM 1156 CA LEU A 121 -2.470 -11.945 -5.661 1.00 0.00 C ATOM 1157 C LEU A 121 -2.572 -13.425 -5.307 1.00 0.00 C ATOM 1158 O LEU A 121 -3.136 -13.789 -4.276 1.00 0.00 O ATOM 1159 CB LEU A 121 -1.410 -11.272 -4.786 1.00 0.00 C ATOM 1160 CG LEU A 121 -0.807 -9.980 -5.338 1.00 0.00 C ATOM 1161 CD1 LEU A 121 -0.162 -9.172 -4.222 1.00 0.00 C ATOM 1162 CD2 LEU A 121 0.207 -10.288 -6.429 1.00 0.00 C ATOM 0 H LEU A 121 -3.897 -10.853 -4.580 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.177 -11.860 -6.707 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -1.853 -11.056 -3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -0.602 -11.984 -4.617 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.610 -9.385 -5.773 1.00 0.00 H new ATOM 0 HD11 LEU A 121 0.262 -8.256 -4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -0.914 -8.920 -3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 121 0.629 -9.761 -3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.626 -9.357 -6.810 1.00 0.00 H new ATOM 0 HD22 LEU A 121 1.007 -10.904 -6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -0.284 -10.824 -7.241 1.00 0.00 H new ATOM 1174 N ARG A 122 -2.021 -14.273 -6.170 1.00 0.00 N ATOM 1175 CA ARG A 122 -2.049 -15.714 -5.948 1.00 0.00 C ATOM 1176 C ARG A 122 -3.443 -16.172 -5.528 1.00 0.00 C ATOM 1177 O ARG A 122 -3.591 -16.971 -4.604 1.00 0.00 O ATOM 1178 CB ARG A 122 -1.027 -16.107 -4.880 1.00 0.00 C ATOM 1179 CG ARG A 122 0.405 -16.136 -5.389 1.00 0.00 C ATOM 1180 CD ARG A 122 0.779 -17.510 -5.922 1.00 0.00 C ATOM 1181 NE ARG A 122 0.326 -17.706 -7.297 1.00 0.00 N ATOM 1182 CZ ARG A 122 0.649 -18.762 -8.033 1.00 0.00 C ATOM 1183 NH1 ARG A 122 1.423 -19.714 -7.530 1.00 0.00 N ATOM 1184 NH2 ARG A 122 0.198 -18.869 -9.277 1.00 0.00 N ATOM 0 H ARG A 122 -1.550 -13.987 -7.029 1.00 0.00 H new ATOM 0 HA ARG A 122 -1.791 -16.206 -6.886 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -1.094 -15.405 -4.049 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -1.284 -17.091 -4.488 1.00 0.00 H new ATOM 0 HG2 ARG A 122 0.527 -15.393 -6.177 1.00 0.00 H new ATOM 0 HG3 ARG A 122 1.085 -15.860 -4.583 1.00 0.00 H new ATOM 0 HD2 ARG A 122 1.861 -17.635 -5.876 1.00 0.00 H new ATOM 0 HD3 ARG A 122 0.342 -18.278 -5.283 1.00 0.00 H new ATOM 0 HE ARG A 122 -0.271 -16.992 -7.714 1.00 0.00 H new ATOM 0 HH11 ARG A 122 1.772 -19.636 -6.575 1.00 0.00 H new ATOM 0 HH12 ARG A 122 1.669 -20.524 -8.098 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -0.397 -18.139 -9.668 1.00 0.00 H new ATOM 0 HH22 ARG A 122 0.447 -19.681 -9.842 1.00 0.00 H new ATOM 1198 N ASN A 123 -4.461 -15.659 -6.212 1.00 0.00 N ATOM 1199 CA ASN A 123 -5.841 -16.015 -5.908 1.00 0.00 C ATOM 1200 C ASN A 123 -6.174 -15.711 -4.450 1.00 0.00 C ATOM 1201 O ASN A 123 -6.773 -16.533 -3.757 1.00 0.00 O ATOM 1202 CB ASN A 123 -6.085 -17.497 -6.200 1.00 0.00 C ATOM 1203 CG ASN A 123 -5.961 -17.824 -7.676 1.00 0.00 C ATOM 1204 OD1 ASN A 123 -6.709 -17.303 -8.502 1.00 0.00 O ATOM 1205 ND2 ASN A 123 -5.012 -18.690 -8.011 1.00 0.00 N ATOM 0 H ASN A 123 -4.356 -14.996 -6.980 1.00 0.00 H new ATOM 0 HA ASN A 123 -6.492 -15.415 -6.544 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -5.371 -18.098 -5.636 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -7.080 -17.774 -5.852 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -4.880 -18.949 -8.989 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -4.415 -19.097 -7.291 1.00 0.00 H new ATOM 1212 N GLN A 124 -5.781 -14.527 -3.994 1.00 0.00 N ATOM 1213 CA GLN A 124 -6.037 -14.114 -2.618 1.00 0.00 C ATOM 1214 C GLN A 124 -6.036 -12.595 -2.496 1.00 0.00 C ATOM 1215 O GLN A 124 -4.995 -11.941 -2.574 1.00 0.00 O ATOM 1216 CB GLN A 124 -4.987 -14.714 -1.681 1.00 0.00 C ATOM 1217 CG GLN A 124 -5.117 -14.241 -0.242 1.00 0.00 C ATOM 1218 CD GLN A 124 -6.281 -14.886 0.482 1.00 0.00 C ATOM 1219 OE1 GLN A 124 -7.206 -14.204 0.927 1.00 0.00 O ATOM 1220 NE2 GLN A 124 -6.245 -16.208 0.605 1.00 0.00 N ATOM 0 H GLN A 124 -5.284 -13.836 -4.556 1.00 0.00 H new ATOM 0 HA GLN A 124 -7.022 -14.481 -2.332 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -5.067 -15.801 -1.707 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -3.994 -14.459 -2.051 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -4.194 -14.462 0.294 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -5.242 -13.158 -0.230 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -5.460 -16.735 0.222 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -7.002 -16.697 1.083 1.00 0.00 H new ATOM 1229 N PRO A 125 -7.230 -12.015 -2.302 1.00 0.00 N ATOM 1230 CA PRO A 125 -7.392 -10.564 -2.164 1.00 0.00 C ATOM 1231 C PRO A 125 -6.335 -9.946 -1.257 1.00 0.00 C ATOM 1232 O PRO A 125 -5.740 -10.631 -0.424 1.00 0.00 O ATOM 1233 CB PRO A 125 -8.783 -10.421 -1.540 1.00 0.00 C ATOM 1234 CG PRO A 125 -9.528 -11.629 -1.995 1.00 0.00 C ATOM 1235 CD PRO A 125 -8.512 -12.731 -2.199 1.00 0.00 C ATOM 0 HA PRO A 125 -7.282 -10.049 -3.118 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -8.726 -10.377 -0.452 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -9.273 -9.505 -1.871 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -10.272 -11.924 -1.255 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -10.064 -11.424 -2.921 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -8.512 -13.433 -1.366 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -8.722 -13.306 -3.101 1.00 0.00 H new ATOM 1243 N ILE A 126 -6.107 -8.647 -1.422 1.00 0.00 N ATOM 1244 CA ILE A 126 -5.122 -7.936 -0.616 1.00 0.00 C ATOM 1245 C ILE A 126 -5.706 -6.649 -0.045 1.00 0.00 C ATOM 1246 O ILE A 126 -6.577 -6.026 -0.652 1.00 0.00 O ATOM 1247 CB ILE A 126 -3.864 -7.597 -1.435 1.00 0.00 C ATOM 1248 CG1 ILE A 126 -4.239 -6.787 -2.676 1.00 0.00 C ATOM 1249 CG2 ILE A 126 -3.129 -8.870 -1.829 1.00 0.00 C ATOM 1250 CD1 ILE A 126 -3.044 -6.263 -3.442 1.00 0.00 C ATOM 0 H ILE A 126 -6.591 -8.066 -2.106 1.00 0.00 H new ATOM 0 HA ILE A 126 -4.844 -8.600 0.202 1.00 0.00 H new ATOM 0 HB ILE A 126 -3.199 -6.993 -0.818 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -4.840 -7.410 -3.338 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -4.864 -5.946 -2.375 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -2.242 -8.614 -2.408 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -2.832 -9.412 -0.931 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -3.786 -9.498 -2.431 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -3.387 -5.698 -4.309 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -2.454 -5.613 -2.796 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -2.429 -7.100 -3.774 1.00 0.00 H new ATOM 1262 N TYR A 127 -5.219 -6.253 1.127 1.00 0.00 N ATOM 1263 CA TYR A 127 -5.692 -5.038 1.781 1.00 0.00 C ATOM 1264 C TYR A 127 -4.872 -3.829 1.342 1.00 0.00 C ATOM 1265 O TYR A 127 -3.642 -3.877 1.310 1.00 0.00 O ATOM 1266 CB TYR A 127 -5.622 -5.193 3.301 1.00 0.00 C ATOM 1267 CG TYR A 127 -6.767 -5.990 3.882 1.00 0.00 C ATOM 1268 CD1 TYR A 127 -7.309 -7.069 3.193 1.00 0.00 C ATOM 1269 CD2 TYR A 127 -7.309 -5.665 5.120 1.00 0.00 C ATOM 1270 CE1 TYR A 127 -8.356 -7.800 3.720 1.00 0.00 C ATOM 1271 CE2 TYR A 127 -8.355 -6.392 5.654 1.00 0.00 C ATOM 1272 CZ TYR A 127 -8.875 -7.458 4.951 1.00 0.00 C ATOM 1273 OH TYR A 127 -9.918 -8.183 5.480 1.00 0.00 O ATOM 0 H TYR A 127 -4.497 -6.756 1.643 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.729 -4.876 1.487 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -4.682 -5.678 3.565 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -5.610 -4.204 3.758 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -6.905 -7.340 2.229 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -6.906 -4.830 5.674 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -8.766 -8.635 3.171 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -8.764 -6.127 6.618 1.00 0.00 H new ATOM 0 HH TYR A 127 -10.164 -7.813 6.353 1.00 0.00 H new ATOM 1283 N ILE A 128 -5.563 -2.745 1.006 1.00 0.00 N ATOM 1284 CA ILE A 128 -4.900 -1.521 0.572 1.00 0.00 C ATOM 1285 C ILE A 128 -5.693 -0.288 0.991 1.00 0.00 C ATOM 1286 O ILE A 128 -6.884 -0.177 0.701 1.00 0.00 O ATOM 1287 CB ILE A 128 -4.706 -1.499 -0.957 1.00 0.00 C ATOM 1288 CG1 ILE A 128 -3.857 -2.691 -1.403 1.00 0.00 C ATOM 1289 CG2 ILE A 128 -4.061 -0.191 -1.388 1.00 0.00 C ATOM 1290 CD1 ILE A 128 -3.860 -2.908 -2.899 1.00 0.00 C ATOM 0 H ILE A 128 -6.581 -2.689 1.026 1.00 0.00 H new ATOM 0 HA ILE A 128 -3.923 -1.502 1.055 1.00 0.00 H new ATOM 0 HB ILE A 128 -5.683 -1.575 -1.434 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -2.831 -2.541 -1.068 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -4.224 -3.592 -0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -3.930 -0.189 -2.470 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -4.701 0.643 -1.099 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -3.089 -0.088 -0.905 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -3.238 -3.769 -3.143 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -4.880 -3.089 -3.238 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -3.464 -2.022 -3.396 1.00 0.00 H new ATOM 1302 N GLN A 129 -5.024 0.635 1.673 1.00 0.00 N ATOM 1303 CA GLN A 129 -5.665 1.862 2.131 1.00 0.00 C ATOM 1304 C GLN A 129 -4.638 2.968 2.344 1.00 0.00 C ATOM 1305 O GLN A 129 -3.445 2.776 2.102 1.00 0.00 O ATOM 1306 CB GLN A 129 -6.434 1.606 3.428 1.00 0.00 C ATOM 1307 CG GLN A 129 -7.649 0.709 3.249 1.00 0.00 C ATOM 1308 CD GLN A 129 -8.741 0.998 4.259 1.00 0.00 C ATOM 1309 OE1 GLN A 129 -8.465 1.365 5.402 1.00 0.00 O ATOM 1310 NE2 GLN A 129 -9.992 0.834 3.842 1.00 0.00 N ATOM 0 H GLN A 129 -4.038 0.557 1.921 1.00 0.00 H new ATOM 0 HA GLN A 129 -6.364 2.186 1.360 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -5.761 1.152 4.156 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -6.756 2.561 3.844 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -8.047 0.839 2.242 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -7.343 -0.333 3.339 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -10.175 0.528 2.886 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -10.769 1.014 4.478 1.00 0.00 H new ATOM 1319 N TYR A 130 -5.106 4.124 2.798 1.00 0.00 N ATOM 1320 CA TYR A 130 -4.228 5.262 3.042 1.00 0.00 C ATOM 1321 C TYR A 130 -3.610 5.186 4.434 1.00 0.00 C ATOM 1322 O TYR A 130 -4.098 4.463 5.303 1.00 0.00 O ATOM 1323 CB TYR A 130 -5.001 6.573 2.886 1.00 0.00 C ATOM 1324 CG TYR A 130 -5.219 6.980 1.447 1.00 0.00 C ATOM 1325 CD1 TYR A 130 -5.768 6.095 0.528 1.00 0.00 C ATOM 1326 CD2 TYR A 130 -4.876 8.253 1.006 1.00 0.00 C ATOM 1327 CE1 TYR A 130 -5.968 6.464 -0.788 1.00 0.00 C ATOM 1328 CE2 TYR A 130 -5.074 8.630 -0.309 1.00 0.00 C ATOM 1329 CZ TYR A 130 -5.620 7.732 -1.202 1.00 0.00 C ATOM 1330 OH TYR A 130 -5.818 8.103 -2.512 1.00 0.00 O ATOM 0 H TYR A 130 -6.089 4.298 3.005 1.00 0.00 H new ATOM 0 HA TYR A 130 -3.425 5.232 2.306 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -5.969 6.475 3.378 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -4.461 7.367 3.401 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -6.043 5.101 0.848 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -4.448 8.959 1.702 1.00 0.00 H new ATOM 0 HE1 TYR A 130 -6.395 5.762 -1.489 1.00 0.00 H new ATOM 0 HE2 TYR A 130 -4.802 9.623 -0.636 1.00 0.00 H new ATOM 0 HH TYR A 130 -6.639 8.633 -2.581 1.00 0.00 H new ATOM 1340 N SER A 131 -2.533 5.937 4.639 1.00 0.00 N ATOM 1341 CA SER A 131 -1.845 5.952 5.924 1.00 0.00 C ATOM 1342 C SER A 131 -2.113 7.257 6.668 1.00 0.00 C ATOM 1343 O SER A 131 -1.613 8.314 6.289 1.00 0.00 O ATOM 1344 CB SER A 131 -0.340 5.768 5.723 1.00 0.00 C ATOM 1345 OG SER A 131 0.240 6.914 5.125 1.00 0.00 O ATOM 0 H SER A 131 -2.118 6.543 3.931 1.00 0.00 H new ATOM 0 HA SER A 131 -2.228 5.126 6.523 1.00 0.00 H new ATOM 0 HB2 SER A 131 0.137 5.575 6.684 1.00 0.00 H new ATOM 0 HB3 SER A 131 -0.158 4.895 5.096 1.00 0.00 H new ATOM 0 HG SER A 131 -0.250 7.714 5.408 1.00 0.00 H new