USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 592 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 67 THR OG1 : rot 180:sc= 0.798 USER MOD Set 1.2: A 70 SER OG : rot 101:sc= 0.919 USER MOD Set 2.1: A 14 ASN : amide:sc= 1.26 K(o=1.4,f=-0.22) USER MOD Set 2.2: A 26 GLN : amide:sc= 0.1 K(o=1.4,f=0.74) USER MOD Single : A 12 HIS : no HD1:sc= -0.477 X(o=-0.48,f=-0.42) USER MOD Single : A 16 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.022) USER MOD Single : A 20 GLN : amide:sc= 0.905 K(o=0.9,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.276 X(o=-0.28,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 143:sc= -0.264 (180deg=-1.55!) USER MOD Single : A 31 LYS NZ :NH3+ -118:sc= 1.18 (180deg=0.114) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 166:sc= -0.0679 (180deg=-0.529) USER MOD Single : A 40 ASN : amide:sc= 0.822 K(o=0.82,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 64:sc= 0.123 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -171:sc= -0.112 (180deg=-0.278) USER MOD Single : A 51 GLN : amide:sc= -0.0345 K(o=-0.035,f=-1.7!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.497 K(o=-0.5,f=-6.7!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 50:sc= 0.0324 USER MOD Single : A 82 TYR OH : rot 15:sc= 1.32 USER MOD Single : A 83 GLN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N GLU A 11 14.773 -10.903 -6.151 1.00 0.00 N ATOM 146 CA GLU A 11 14.229 -10.941 -4.806 1.00 0.00 C ATOM 147 C GLU A 11 13.207 -9.849 -4.497 1.00 0.00 C ATOM 148 O GLU A 11 13.469 -8.650 -4.578 1.00 0.00 O ATOM 149 CB GLU A 11 15.406 -10.904 -3.803 1.00 0.00 C ATOM 150 CG GLU A 11 14.970 -11.069 -2.334 1.00 0.00 C ATOM 151 CD GLU A 11 16.143 -11.327 -1.412 1.00 0.00 C ATOM 152 OE1 GLU A 11 17.154 -10.584 -1.471 1.00 0.00 O ATOM 153 OE2 GLU A 11 16.001 -12.235 -0.547 1.00 0.00 O ATOM 0 HA GLU A 11 13.664 -11.868 -4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.112 -11.695 -4.055 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.936 -9.958 -3.912 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.447 -10.170 -2.009 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.262 -11.895 -2.258 1.00 0.00 H new ATOM 160 N HIS A 12 11.979 -10.247 -4.120 1.00 0.00 N ATOM 161 CA HIS A 12 10.900 -9.317 -3.841 1.00 0.00 C ATOM 162 C HIS A 12 9.919 -9.950 -2.871 1.00 0.00 C ATOM 163 O HIS A 12 10.159 -11.048 -2.371 1.00 0.00 O ATOM 164 CB HIS A 12 10.174 -8.910 -5.151 1.00 0.00 C ATOM 165 CG HIS A 12 9.564 -10.077 -5.880 1.00 0.00 C ATOM 166 ND1 HIS A 12 8.269 -10.521 -5.699 1.00 0.00 N ATOM 167 CD2 HIS A 12 10.129 -10.920 -6.781 1.00 0.00 C ATOM 168 CE1 HIS A 12 8.106 -11.598 -6.504 1.00 0.00 C ATOM 169 NE2 HIS A 12 9.207 -11.874 -7.184 1.00 0.00 N ATOM 0 H HIS A 12 11.719 -11.226 -4.004 1.00 0.00 H new ATOM 0 HA HIS A 12 11.319 -8.417 -3.392 1.00 0.00 H new ATOM 0 HB2 HIS A 12 9.392 -8.188 -4.916 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.883 -8.409 -5.810 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.148 -10.857 -7.133 1.00 0.00 H new ATOM 0 HE1 HIS A 12 7.189 -12.163 -6.581 1.00 0.00 H new ATOM 0 HE2 HIS A 12 9.347 -12.626 -7.859 1.00 0.00 H new ATOM 177 N ILE A 13 8.794 -9.266 -2.588 1.00 0.00 N ATOM 178 CA ILE A 13 7.626 -9.860 -1.956 1.00 0.00 C ATOM 179 C ILE A 13 6.378 -9.508 -2.763 1.00 0.00 C ATOM 180 O ILE A 13 6.370 -8.584 -3.580 1.00 0.00 O ATOM 181 CB ILE A 13 7.411 -9.444 -0.495 1.00 0.00 C ATOM 182 CG1 ILE A 13 7.287 -7.917 -0.316 1.00 0.00 C ATOM 183 CG2 ILE A 13 8.547 -10.036 0.363 1.00 0.00 C ATOM 184 CD1 ILE A 13 6.746 -7.522 1.063 1.00 0.00 C ATOM 0 H ILE A 13 8.681 -8.274 -2.799 1.00 0.00 H new ATOM 0 HA ILE A 13 7.808 -10.935 -1.944 1.00 0.00 H new ATOM 0 HB ILE A 13 6.455 -9.846 -0.159 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.265 -7.458 -0.463 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.629 -7.518 -1.087 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.405 -9.747 1.404 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.535 -11.123 0.283 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.506 -9.657 0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.681 -6.436 1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.755 -7.955 1.203 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.417 -7.894 1.837 1.00 0.00 H new ATOM 196 N ASN A 14 5.292 -10.268 -2.563 1.00 0.00 N ATOM 197 CA ASN A 14 3.950 -10.002 -3.052 1.00 0.00 C ATOM 198 C ASN A 14 3.131 -9.251 -1.998 1.00 0.00 C ATOM 199 O ASN A 14 3.379 -9.380 -0.799 1.00 0.00 O ATOM 200 CB ASN A 14 3.207 -11.335 -3.352 1.00 0.00 C ATOM 201 CG ASN A 14 3.742 -12.055 -4.584 1.00 0.00 C ATOM 202 OD1 ASN A 14 3.052 -12.117 -5.604 1.00 0.00 O ATOM 203 ND2 ASN A 14 4.932 -12.684 -4.501 1.00 0.00 N ATOM 0 H ASN A 14 5.339 -11.132 -2.023 1.00 0.00 H new ATOM 0 HA ASN A 14 4.047 -9.403 -3.958 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.293 -11.994 -2.488 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.146 -11.129 -3.492 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.279 -13.226 -5.293 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.485 -12.618 -3.647 1.00 0.00 H new ATOM 210 N LEU A 15 2.120 -8.463 -2.423 1.00 0.00 N ATOM 211 CA LEU A 15 1.191 -7.780 -1.530 1.00 0.00 C ATOM 212 C LEU A 15 -0.246 -7.905 -2.037 1.00 0.00 C ATOM 213 O LEU A 15 -0.487 -7.897 -3.246 1.00 0.00 O ATOM 214 CB LEU A 15 1.556 -6.275 -1.401 1.00 0.00 C ATOM 215 CG LEU A 15 1.617 -5.770 0.055 1.00 0.00 C ATOM 216 CD1 LEU A 15 2.896 -6.257 0.756 1.00 0.00 C ATOM 217 CD2 LEU A 15 1.539 -4.238 0.102 1.00 0.00 C ATOM 0 H LEU A 15 1.933 -8.288 -3.410 1.00 0.00 H new ATOM 0 HA LEU A 15 1.268 -8.255 -0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.522 -6.103 -1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.822 -5.685 -1.950 1.00 0.00 H new ATOM 0 HG LEU A 15 0.758 -6.180 0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.913 -5.886 1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.914 -7.347 0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.769 -5.884 0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.584 -3.903 1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.376 -3.814 -0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.602 -3.907 -0.346 1.00 0.00 H new ATOM 229 N LYS A 16 -1.243 -8.015 -1.138 1.00 0.00 N ATOM 230 CA LYS A 16 -2.654 -8.106 -1.481 1.00 0.00 C ATOM 231 C LYS A 16 -3.386 -6.829 -1.110 1.00 0.00 C ATOM 232 O LYS A 16 -3.496 -6.479 0.063 1.00 0.00 O ATOM 233 CB LYS A 16 -3.323 -9.277 -0.722 1.00 0.00 C ATOM 234 CG LYS A 16 -2.871 -10.663 -1.203 1.00 0.00 C ATOM 235 CD LYS A 16 -3.538 -11.077 -2.525 1.00 0.00 C ATOM 236 CE LYS A 16 -2.960 -12.343 -3.163 1.00 0.00 C ATOM 237 NZ LYS A 16 -2.986 -13.474 -2.228 1.00 0.00 N ATOM 0 H LYS A 16 -1.074 -8.043 -0.133 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.715 -8.269 -2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.103 -9.182 0.341 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.405 -9.199 -0.832 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.789 -10.664 -1.331 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.102 -11.403 -0.437 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.603 -11.229 -2.347 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.448 -10.255 -3.235 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.531 -12.595 -4.057 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.935 -12.156 -3.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.651 -14.332 -2.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.367 -13.269 -1.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.959 -13.624 -1.891 1.00 0.00 H new ATOM 251 N VAL A 17 -3.917 -6.102 -2.112 1.00 0.00 N ATOM 252 CA VAL A 17 -4.585 -4.827 -1.920 1.00 0.00 C ATOM 253 C VAL A 17 -6.082 -4.990 -2.155 1.00 0.00 C ATOM 254 O VAL A 17 -6.558 -5.083 -3.288 1.00 0.00 O ATOM 255 CB VAL A 17 -4.015 -3.766 -2.861 1.00 0.00 C ATOM 256 CG1 VAL A 17 -4.633 -2.391 -2.562 1.00 0.00 C ATOM 257 CG2 VAL A 17 -2.481 -3.693 -2.699 1.00 0.00 C ATOM 0 H VAL A 17 -3.887 -6.400 -3.087 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.415 -4.497 -0.895 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.260 -4.044 -3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.215 -1.649 -3.242 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.713 -2.440 -2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.410 -2.108 -1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.080 -2.935 -3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.236 -3.431 -1.670 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.043 -4.661 -2.941 1.00 0.00 H new ATOM 267 N LEU A 18 -6.882 -5.052 -1.074 1.00 0.00 N ATOM 268 CA LEU A 18 -8.305 -5.328 -1.151 1.00 0.00 C ATOM 269 C LEU A 18 -9.119 -4.046 -1.262 1.00 0.00 C ATOM 270 O LEU A 18 -9.322 -3.331 -0.286 1.00 0.00 O ATOM 271 CB LEU A 18 -8.829 -6.158 0.054 1.00 0.00 C ATOM 272 CG LEU A 18 -8.280 -7.599 0.166 1.00 0.00 C ATOM 273 CD1 LEU A 18 -6.915 -7.677 0.869 1.00 0.00 C ATOM 274 CD2 LEU A 18 -9.284 -8.482 0.923 1.00 0.00 C ATOM 0 H LEU A 18 -6.544 -4.909 -0.122 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.435 -5.924 -2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.586 -5.624 0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.916 -6.207 -0.008 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.140 -7.956 -0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.588 -8.716 0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.185 -7.090 0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.003 -7.280 1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.892 -9.496 0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.442 -8.078 1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.232 -8.499 0.385 1.00 0.00 H new ATOM 286 N GLY A 19 -9.617 -3.712 -2.470 1.00 0.00 N ATOM 287 CA GLY A 19 -10.378 -2.489 -2.708 1.00 0.00 C ATOM 288 C GLY A 19 -11.862 -2.612 -2.454 1.00 0.00 C ATOM 289 O GLY A 19 -12.540 -3.445 -3.052 1.00 0.00 O ATOM 0 H GLY A 19 -9.498 -4.289 -3.302 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.978 -1.699 -2.073 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.224 -2.176 -3.741 1.00 0.00 H new ATOM 293 N GLN A 20 -12.416 -1.741 -1.582 1.00 0.00 N ATOM 294 CA GLN A 20 -13.820 -1.685 -1.178 1.00 0.00 C ATOM 295 C GLN A 20 -14.854 -1.673 -2.310 1.00 0.00 C ATOM 296 O GLN A 20 -15.924 -2.270 -2.194 1.00 0.00 O ATOM 297 CB GLN A 20 -14.047 -0.468 -0.235 1.00 0.00 C ATOM 298 CG GLN A 20 -15.478 -0.358 0.361 1.00 0.00 C ATOM 299 CD GLN A 20 -15.620 0.720 1.441 1.00 0.00 C ATOM 300 OE1 GLN A 20 -16.030 0.445 2.573 1.00 0.00 O ATOM 301 NE2 GLN A 20 -15.315 1.987 1.091 1.00 0.00 N ATOM 0 H GLN A 20 -11.857 -1.023 -1.121 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.996 -2.630 -0.664 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.331 -0.524 0.585 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.828 0.446 -0.787 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.181 -0.146 -0.445 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.760 -1.322 0.785 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.978 2.189 0.150 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -15.421 2.743 1.768 1.00 0.00 H new ATOM 310 N ASP A 21 -14.554 -1.030 -3.454 1.00 0.00 N ATOM 311 CA ASP A 21 -15.401 -1.008 -4.636 1.00 0.00 C ATOM 312 C ASP A 21 -15.443 -2.328 -5.424 1.00 0.00 C ATOM 313 O ASP A 21 -16.204 -2.444 -6.385 1.00 0.00 O ATOM 314 CB ASP A 21 -14.941 0.157 -5.551 1.00 0.00 C ATOM 315 CG ASP A 21 -13.471 0.031 -5.864 1.00 0.00 C ATOM 316 OD1 ASP A 21 -13.097 -0.686 -6.826 1.00 0.00 O ATOM 317 OD2 ASP A 21 -12.667 0.627 -5.107 1.00 0.00 O ATOM 0 H ASP A 21 -13.690 -0.501 -3.573 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.424 -0.861 -4.288 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.518 0.151 -6.476 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.134 1.111 -5.061 1.00 0.00 H new ATOM 322 N ASN A 22 -14.622 -3.322 -5.027 1.00 0.00 N ATOM 323 CA ASN A 22 -14.456 -4.659 -5.579 1.00 0.00 C ATOM 324 C ASN A 22 -13.253 -4.787 -6.509 1.00 0.00 C ATOM 325 O ASN A 22 -12.897 -5.905 -6.891 1.00 0.00 O ATOM 326 CB ASN A 22 -15.707 -5.346 -6.215 1.00 0.00 C ATOM 327 CG ASN A 22 -16.887 -5.457 -5.260 1.00 0.00 C ATOM 328 OD1 ASN A 22 -18.026 -5.135 -5.613 1.00 0.00 O ATOM 329 ND2 ASN A 22 -16.659 -5.990 -4.041 1.00 0.00 N ATOM 0 H ASN A 22 -14.001 -3.181 -4.230 1.00 0.00 H new ATOM 0 HA ASN A 22 -14.275 -5.225 -4.665 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -16.014 -4.782 -7.096 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -15.430 -6.344 -6.556 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -17.434 -6.133 -3.394 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -15.711 -6.250 -3.767 1.00 0.00 H new ATOM 336 N ALA A 23 -12.549 -3.693 -6.876 1.00 0.00 N ATOM 337 CA ALA A 23 -11.289 -3.806 -7.596 1.00 0.00 C ATOM 338 C ALA A 23 -10.120 -4.202 -6.681 1.00 0.00 C ATOM 339 O ALA A 23 -9.252 -3.407 -6.322 1.00 0.00 O ATOM 340 CB ALA A 23 -10.985 -2.517 -8.385 1.00 0.00 C ATOM 0 H ALA A 23 -12.840 -2.735 -6.681 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.404 -4.619 -8.313 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.038 -2.629 -8.913 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.783 -2.334 -9.105 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.919 -1.675 -7.695 1.00 0.00 H new ATOM 346 N VAL A 24 -10.069 -5.489 -6.297 1.00 0.00 N ATOM 347 CA VAL A 24 -9.006 -6.102 -5.518 1.00 0.00 C ATOM 348 C VAL A 24 -7.828 -6.417 -6.419 1.00 0.00 C ATOM 349 O VAL A 24 -7.989 -7.053 -7.462 1.00 0.00 O ATOM 350 CB VAL A 24 -9.496 -7.386 -4.843 1.00 0.00 C ATOM 351 CG1 VAL A 24 -8.363 -8.075 -4.054 1.00 0.00 C ATOM 352 CG2 VAL A 24 -10.689 -7.063 -3.921 1.00 0.00 C ATOM 0 H VAL A 24 -10.806 -6.151 -6.538 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.698 -5.400 -4.743 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.821 -8.082 -5.616 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.745 -8.983 -3.587 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.550 -8.330 -4.733 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.993 -7.399 -3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -11.036 -7.978 -3.441 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.377 -6.350 -3.158 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.498 -6.633 -4.511 1.00 0.00 H new ATOM 362 N VAL A 25 -6.613 -5.963 -6.063 1.00 0.00 N ATOM 363 CA VAL A 25 -5.438 -6.121 -6.908 1.00 0.00 C ATOM 364 C VAL A 25 -4.255 -6.697 -6.149 1.00 0.00 C ATOM 365 O VAL A 25 -4.124 -6.580 -4.934 1.00 0.00 O ATOM 366 CB VAL A 25 -5.025 -4.838 -7.646 1.00 0.00 C ATOM 367 CG1 VAL A 25 -6.141 -4.437 -8.632 1.00 0.00 C ATOM 368 CG2 VAL A 25 -4.729 -3.691 -6.661 1.00 0.00 C ATOM 0 H VAL A 25 -6.429 -5.480 -5.184 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.744 -6.838 -7.670 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.105 -5.033 -8.198 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.852 -3.527 -9.158 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.295 -5.240 -9.353 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.066 -4.261 -8.083 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.440 -2.799 -7.217 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.621 -3.478 -6.072 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.916 -3.983 -5.996 1.00 0.00 H new ATOM 378 N GLN A 26 -3.348 -7.376 -6.876 1.00 0.00 N ATOM 379 CA GLN A 26 -2.135 -7.931 -6.310 1.00 0.00 C ATOM 380 C GLN A 26 -0.938 -7.106 -6.747 1.00 0.00 C ATOM 381 O GLN A 26 -0.689 -6.901 -7.937 1.00 0.00 O ATOM 382 CB GLN A 26 -1.960 -9.412 -6.720 1.00 0.00 C ATOM 383 CG GLN A 26 -0.810 -10.149 -5.988 1.00 0.00 C ATOM 384 CD GLN A 26 -0.859 -11.641 -6.311 1.00 0.00 C ATOM 385 OE1 GLN A 26 -1.920 -12.268 -6.253 1.00 0.00 O ATOM 386 NE2 GLN A 26 0.292 -12.249 -6.655 1.00 0.00 N ATOM 0 H GLN A 26 -3.450 -7.548 -7.876 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.209 -7.895 -5.223 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.893 -9.941 -6.529 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.780 -9.460 -7.794 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.151 -9.734 -6.292 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.897 -9.998 -4.912 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.159 -11.713 -6.697 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.297 -13.245 -6.873 1.00 0.00 H new ATOM 395 N PHE A 27 -0.175 -6.579 -5.777 1.00 0.00 N ATOM 396 CA PHE A 27 0.984 -5.745 -6.032 1.00 0.00 C ATOM 397 C PHE A 27 2.259 -6.514 -5.730 1.00 0.00 C ATOM 398 O PHE A 27 2.259 -7.584 -5.123 1.00 0.00 O ATOM 399 CB PHE A 27 0.941 -4.421 -5.211 1.00 0.00 C ATOM 400 CG PHE A 27 0.050 -3.335 -5.783 1.00 0.00 C ATOM 401 CD1 PHE A 27 -0.731 -3.462 -6.953 1.00 0.00 C ATOM 402 CD2 PHE A 27 0.037 -2.097 -5.113 1.00 0.00 C ATOM 403 CE1 PHE A 27 -1.491 -2.387 -7.434 1.00 0.00 C ATOM 404 CE2 PHE A 27 -0.724 -1.022 -5.591 1.00 0.00 C ATOM 405 CZ PHE A 27 -1.488 -1.168 -6.752 1.00 0.00 C ATOM 0 H PHE A 27 -0.358 -6.729 -4.785 1.00 0.00 H new ATOM 0 HA PHE A 27 0.969 -5.474 -7.088 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.604 -4.650 -4.200 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.955 -4.030 -5.128 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.743 -4.402 -7.485 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.624 -1.974 -4.215 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.079 -2.501 -8.332 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.720 -0.080 -5.062 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.075 -0.340 -7.121 1.00 0.00 H new ATOM 415 N LYS A 28 3.395 -5.969 -6.188 1.00 0.00 N ATOM 416 CA LYS A 28 4.706 -6.553 -6.039 1.00 0.00 C ATOM 417 C LYS A 28 5.607 -5.461 -5.502 1.00 0.00 C ATOM 418 O LYS A 28 5.513 -4.321 -5.946 1.00 0.00 O ATOM 419 CB LYS A 28 5.206 -7.002 -7.436 1.00 0.00 C ATOM 420 CG LYS A 28 6.513 -7.803 -7.444 1.00 0.00 C ATOM 421 CD LYS A 28 7.057 -7.984 -8.872 1.00 0.00 C ATOM 422 CE LYS A 28 8.181 -9.022 -8.944 1.00 0.00 C ATOM 423 NZ LYS A 28 8.835 -9.018 -10.261 1.00 0.00 N ATOM 0 H LYS A 28 3.411 -5.080 -6.687 1.00 0.00 H new ATOM 0 HA LYS A 28 4.697 -7.414 -5.370 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.428 -7.605 -7.904 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.340 -6.116 -8.057 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.257 -7.293 -6.832 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.344 -8.780 -6.992 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.244 -8.287 -9.531 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.426 -7.027 -9.241 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.919 -8.815 -8.169 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.776 -10.013 -8.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.591 -9.732 -10.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.135 -9.240 -10.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.243 -8.079 -10.443 1.00 0.00 H new ATOM 437 N ILE A 29 6.491 -5.749 -4.532 1.00 0.00 N ATOM 438 CA ILE A 29 7.434 -4.743 -4.064 1.00 0.00 C ATOM 439 C ILE A 29 8.771 -5.390 -3.737 1.00 0.00 C ATOM 440 O ILE A 29 8.856 -6.501 -3.218 1.00 0.00 O ATOM 441 CB ILE A 29 6.880 -3.874 -2.925 1.00 0.00 C ATOM 442 CG1 ILE A 29 7.796 -2.665 -2.606 1.00 0.00 C ATOM 443 CG2 ILE A 29 6.571 -4.722 -1.674 1.00 0.00 C ATOM 444 CD1 ILE A 29 7.138 -1.612 -1.708 1.00 0.00 C ATOM 0 H ILE A 29 6.566 -6.655 -4.070 1.00 0.00 H new ATOM 0 HA ILE A 29 7.600 -4.037 -4.878 1.00 0.00 H new ATOM 0 HB ILE A 29 5.936 -3.453 -3.271 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.704 -3.026 -2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.099 -2.194 -3.541 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.181 -4.079 -0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.830 -5.481 -1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.484 -5.206 -1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.839 -0.797 -1.529 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.246 -1.222 -2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.860 -2.067 -0.757 1.00 0.00 H new ATOM 456 N LYS A 30 9.883 -4.716 -4.086 1.00 0.00 N ATOM 457 CA LYS A 30 11.229 -5.170 -3.810 1.00 0.00 C ATOM 458 C LYS A 30 11.564 -4.887 -2.353 1.00 0.00 C ATOM 459 O LYS A 30 11.174 -3.856 -1.811 1.00 0.00 O ATOM 460 CB LYS A 30 12.202 -4.460 -4.785 1.00 0.00 C ATOM 461 CG LYS A 30 13.628 -5.027 -4.829 1.00 0.00 C ATOM 462 CD LYS A 30 14.561 -4.309 -5.830 1.00 0.00 C ATOM 463 CE LYS A 30 14.444 -4.728 -7.310 1.00 0.00 C ATOM 464 NZ LYS A 30 13.181 -4.264 -7.908 1.00 0.00 N ATOM 0 H LYS A 30 9.853 -3.823 -4.578 1.00 0.00 H new ATOM 0 HA LYS A 30 11.321 -6.245 -3.965 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.780 -4.507 -5.789 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.257 -3.406 -4.512 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.064 -4.963 -3.832 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.579 -6.085 -5.088 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.371 -3.238 -5.764 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.591 -4.470 -5.511 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.284 -4.320 -7.872 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.506 -5.813 -7.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.348 -3.979 -8.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.482 -5.034 -7.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.820 -3.451 -7.369 1.00 0.00 H new ATOM 478 N LYS A 31 12.249 -5.809 -1.641 1.00 0.00 N ATOM 479 CA LYS A 31 12.232 -5.821 -0.179 1.00 0.00 C ATOM 480 C LYS A 31 12.821 -4.591 0.510 1.00 0.00 C ATOM 481 O LYS A 31 12.372 -4.188 1.580 1.00 0.00 O ATOM 482 CB LYS A 31 12.891 -7.108 0.392 1.00 0.00 C ATOM 483 CG LYS A 31 12.414 -8.392 -0.303 1.00 0.00 C ATOM 484 CD LYS A 31 12.656 -9.696 0.489 1.00 0.00 C ATOM 485 CE LYS A 31 14.057 -9.851 1.101 1.00 0.00 C ATOM 486 NZ LYS A 31 14.355 -11.267 1.381 1.00 0.00 N ATOM 0 H LYS A 31 12.815 -6.547 -2.061 1.00 0.00 H new ATOM 0 HA LYS A 31 11.168 -5.802 0.056 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.974 -7.029 0.292 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.674 -7.177 1.458 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.347 -8.302 -0.506 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.916 -8.473 -1.267 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.920 -9.755 1.291 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.473 -10.542 -0.174 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.804 -9.446 0.418 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.122 -9.272 2.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.502 -11.395 2.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.558 -11.858 1.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.216 -11.548 0.869 1.00 0.00 H new ATOM 500 N HIS A 32 13.826 -3.951 -0.106 1.00 0.00 N ATOM 501 CA HIS A 32 14.453 -2.743 0.405 1.00 0.00 C ATOM 502 C HIS A 32 13.659 -1.466 0.151 1.00 0.00 C ATOM 503 O HIS A 32 13.961 -0.413 0.709 1.00 0.00 O ATOM 504 CB HIS A 32 15.859 -2.576 -0.220 1.00 0.00 C ATOM 505 CG HIS A 32 16.757 -3.729 0.132 1.00 0.00 C ATOM 506 ND1 HIS A 32 17.068 -4.798 -0.685 1.00 0.00 N ATOM 507 CD2 HIS A 32 17.361 -3.984 1.320 1.00 0.00 C ATOM 508 CE1 HIS A 32 17.834 -5.646 0.049 1.00 0.00 C ATOM 509 NE2 HIS A 32 18.028 -5.196 1.275 1.00 0.00 N ATOM 0 H HIS A 32 14.226 -4.271 -0.988 1.00 0.00 H new ATOM 0 HA HIS A 32 14.504 -2.877 1.486 1.00 0.00 H new ATOM 0 HB2 HIS A 32 15.770 -2.500 -1.304 1.00 0.00 H new ATOM 0 HB3 HIS A 32 16.306 -1.645 0.129 1.00 0.00 H new ATOM 0 HD2 HIS A 32 17.326 -3.332 2.181 1.00 0.00 H new ATOM 0 HE1 HIS A 32 18.236 -6.576 -0.325 1.00 0.00 H new ATOM 0 HE2 HIS A 32 18.554 -5.644 2.025 1.00 0.00 H new ATOM 517 N THR A 33 12.621 -1.506 -0.702 1.00 0.00 N ATOM 518 CA THR A 33 11.871 -0.316 -1.102 1.00 0.00 C ATOM 519 C THR A 33 10.782 0.029 -0.084 1.00 0.00 C ATOM 520 O THR A 33 9.973 -0.840 0.230 1.00 0.00 O ATOM 521 CB THR A 33 11.202 -0.496 -2.466 1.00 0.00 C ATOM 522 OG1 THR A 33 12.152 -0.880 -3.453 1.00 0.00 O ATOM 523 CG2 THR A 33 10.543 0.794 -2.974 1.00 0.00 C ATOM 0 H THR A 33 12.283 -2.368 -1.131 1.00 0.00 H new ATOM 0 HA THR A 33 12.600 0.493 -1.156 1.00 0.00 H new ATOM 0 HB THR A 33 10.445 -1.266 -2.317 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.701 -0.991 -4.316 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.084 0.610 -3.945 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.779 1.115 -2.266 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.298 1.574 -3.072 1.00 0.00 H new ATOM 531 N PRO A 34 10.677 1.236 0.485 1.00 0.00 N ATOM 532 CA PRO A 34 9.576 1.573 1.386 1.00 0.00 C ATOM 533 C PRO A 34 8.266 1.741 0.643 1.00 0.00 C ATOM 534 O PRO A 34 8.252 2.169 -0.514 1.00 0.00 O ATOM 535 CB PRO A 34 10.035 2.890 2.041 1.00 0.00 C ATOM 536 CG PRO A 34 10.970 3.526 1.012 1.00 0.00 C ATOM 537 CD PRO A 34 11.664 2.312 0.387 1.00 0.00 C ATOM 0 HA PRO A 34 9.377 0.787 2.115 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.188 3.539 2.262 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.550 2.706 2.984 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.420 4.104 0.269 1.00 0.00 H new ATOM 0 HG3 PRO A 34 11.684 4.204 1.479 1.00 0.00 H new ATOM 0 HD2 PRO A 34 11.941 2.503 -0.650 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.580 2.060 0.921 1.00 0.00 H new ATOM 545 N LEU A 35 7.133 1.434 1.311 1.00 0.00 N ATOM 546 CA LEU A 35 5.802 1.404 0.721 1.00 0.00 C ATOM 547 C LEU A 35 5.408 2.727 0.078 1.00 0.00 C ATOM 548 O LEU A 35 4.931 2.761 -1.054 1.00 0.00 O ATOM 549 CB LEU A 35 4.739 0.984 1.772 1.00 0.00 C ATOM 550 CG LEU A 35 4.535 -0.541 1.956 1.00 0.00 C ATOM 551 CD1 LEU A 35 3.931 -1.196 0.702 1.00 0.00 C ATOM 552 CD2 LEU A 35 5.795 -1.293 2.408 1.00 0.00 C ATOM 0 H LEU A 35 7.133 1.195 2.303 1.00 0.00 H new ATOM 0 HA LEU A 35 5.837 0.659 -0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.019 1.412 2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.784 1.428 1.491 1.00 0.00 H new ATOM 0 HG LEU A 35 3.820 -0.629 2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.805 -2.265 0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.962 -0.746 0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.598 -1.042 -0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.567 -2.354 2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.582 -1.163 1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.131 -0.897 3.366 1.00 0.00 H new ATOM 564 N ARG A 36 5.661 3.850 0.770 1.00 0.00 N ATOM 565 CA ARG A 36 5.442 5.231 0.360 1.00 0.00 C ATOM 566 C ARG A 36 5.742 5.582 -1.092 1.00 0.00 C ATOM 567 O ARG A 36 4.936 6.202 -1.784 1.00 0.00 O ATOM 568 CB ARG A 36 6.307 6.139 1.270 1.00 0.00 C ATOM 569 CG ARG A 36 5.805 7.588 1.388 1.00 0.00 C ATOM 570 CD ARG A 36 6.394 8.291 2.615 1.00 0.00 C ATOM 571 NE ARG A 36 5.400 9.302 3.076 1.00 0.00 N ATOM 572 CZ ARG A 36 5.574 10.096 4.139 1.00 0.00 C ATOM 573 NH1 ARG A 36 6.728 10.185 4.774 1.00 0.00 N ATOM 574 NH2 ARG A 36 4.511 10.726 4.617 1.00 0.00 N ATOM 0 H ARG A 36 6.057 3.802 1.709 1.00 0.00 H new ATOM 0 HA ARG A 36 4.368 5.387 0.460 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.348 5.700 2.267 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.327 6.151 0.885 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.073 8.141 0.488 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.717 7.593 1.453 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.602 7.570 3.406 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.340 8.771 2.364 1.00 0.00 H new ATOM 0 HE ARG A 36 4.532 9.394 2.548 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.528 9.636 4.458 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.820 10.802 5.581 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.600 10.597 4.176 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.603 11.340 5.426 1.00 0.00 H new ATOM 588 N LYS A 37 6.925 5.176 -1.595 1.00 0.00 N ATOM 589 CA LYS A 37 7.396 5.516 -2.927 1.00 0.00 C ATOM 590 C LYS A 37 6.811 4.605 -4.011 1.00 0.00 C ATOM 591 O LYS A 37 6.883 4.894 -5.207 1.00 0.00 O ATOM 592 CB LYS A 37 8.948 5.508 -2.935 1.00 0.00 C ATOM 593 CG LYS A 37 9.655 6.042 -4.202 1.00 0.00 C ATOM 594 CD LYS A 37 9.392 7.526 -4.549 1.00 0.00 C ATOM 595 CE LYS A 37 8.221 7.778 -5.515 1.00 0.00 C ATOM 596 NZ LYS A 37 8.029 9.219 -5.734 1.00 0.00 N ATOM 0 H LYS A 37 7.579 4.596 -1.070 1.00 0.00 H new ATOM 0 HA LYS A 37 7.043 6.518 -3.172 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.292 6.096 -2.084 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.281 4.483 -2.770 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.729 5.902 -4.081 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.348 5.431 -5.051 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.202 8.070 -3.624 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.298 7.946 -4.985 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.415 7.283 -6.467 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.308 7.342 -5.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.235 9.368 -6.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.822 9.683 -4.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.895 9.626 -6.142 1.00 0.00 H new ATOM 610 N LEU A 38 6.172 3.492 -3.616 1.00 0.00 N ATOM 611 CA LEU A 38 5.370 2.669 -4.502 1.00 0.00 C ATOM 612 C LEU A 38 3.916 3.122 -4.468 1.00 0.00 C ATOM 613 O LEU A 38 3.315 3.413 -5.501 1.00 0.00 O ATOM 614 CB LEU A 38 5.500 1.173 -4.124 1.00 0.00 C ATOM 615 CG LEU A 38 4.721 0.214 -5.050 1.00 0.00 C ATOM 616 CD1 LEU A 38 5.585 -0.990 -5.451 1.00 0.00 C ATOM 617 CD2 LEU A 38 3.413 -0.276 -4.404 1.00 0.00 C ATOM 0 H LEU A 38 6.206 3.144 -2.658 1.00 0.00 H new ATOM 0 HA LEU A 38 5.739 2.787 -5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.554 0.897 -4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.149 1.037 -3.101 1.00 0.00 H new ATOM 0 HG LEU A 38 4.465 0.782 -5.944 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.011 -1.649 -6.103 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.473 -0.641 -5.978 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.885 -1.536 -4.557 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.898 -0.948 -5.090 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.640 -0.806 -3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.773 0.579 -4.184 1.00 0.00 H new ATOM 629 N MET A 39 3.316 3.232 -3.269 1.00 0.00 N ATOM 630 CA MET A 39 1.922 3.578 -3.060 1.00 0.00 C ATOM 631 C MET A 39 1.546 4.942 -3.618 1.00 0.00 C ATOM 632 O MET A 39 0.597 5.067 -4.385 1.00 0.00 O ATOM 633 CB MET A 39 1.571 3.513 -1.554 1.00 0.00 C ATOM 634 CG MET A 39 1.712 2.119 -0.900 1.00 0.00 C ATOM 635 SD MET A 39 0.176 1.159 -0.698 1.00 0.00 S ATOM 636 CE MET A 39 -0.217 0.845 -2.439 1.00 0.00 C ATOM 0 H MET A 39 3.818 3.074 -2.395 1.00 0.00 H new ATOM 0 HA MET A 39 1.340 2.841 -3.613 1.00 0.00 H new ATOM 0 HB2 MET A 39 2.212 4.213 -1.018 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.545 3.855 -1.422 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.407 1.530 -1.498 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.166 2.247 0.082 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.979 0.068 -2.506 1.00 0.00 H new ATOM 0 HE2 MET A 39 -0.590 1.760 -2.899 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.682 0.517 -2.961 1.00 0.00 H new ATOM 646 N ASN A 40 2.314 6.005 -3.303 1.00 0.00 N ATOM 647 CA ASN A 40 2.059 7.330 -3.857 1.00 0.00 C ATOM 648 C ASN A 40 2.342 7.424 -5.356 1.00 0.00 C ATOM 649 O ASN A 40 1.727 8.226 -6.050 1.00 0.00 O ATOM 650 CB ASN A 40 2.809 8.442 -3.090 1.00 0.00 C ATOM 651 CG ASN A 40 2.156 8.610 -1.716 1.00 0.00 C ATOM 652 OD1 ASN A 40 1.098 9.218 -1.606 1.00 0.00 O ATOM 653 ND2 ASN A 40 2.800 8.045 -0.669 1.00 0.00 N ATOM 0 H ASN A 40 3.112 5.961 -2.669 1.00 0.00 H new ATOM 0 HA ASN A 40 0.989 7.491 -3.725 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.862 8.182 -2.980 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.768 9.379 -3.646 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.406 8.114 0.269 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.679 7.550 -0.818 1.00 0.00 H new ATOM 660 N ALA A 41 3.216 6.562 -5.915 1.00 0.00 N ATOM 661 CA ALA A 41 3.393 6.455 -7.352 1.00 0.00 C ATOM 662 C ALA A 41 2.166 5.847 -8.043 1.00 0.00 C ATOM 663 O ALA A 41 1.764 6.258 -9.131 1.00 0.00 O ATOM 664 CB ALA A 41 4.663 5.643 -7.673 1.00 0.00 C ATOM 0 H ALA A 41 3.808 5.931 -5.375 1.00 0.00 H new ATOM 0 HA ALA A 41 3.509 7.465 -7.745 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.785 5.570 -8.754 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.532 6.141 -7.243 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.572 4.643 -7.250 1.00 0.00 H new ATOM 670 N TYR A 42 1.488 4.873 -7.403 1.00 0.00 N ATOM 671 CA TYR A 42 0.175 4.421 -7.844 1.00 0.00 C ATOM 672 C TYR A 42 -0.904 5.489 -7.673 1.00 0.00 C ATOM 673 O TYR A 42 -1.775 5.630 -8.528 1.00 0.00 O ATOM 674 CB TYR A 42 -0.247 3.097 -7.153 1.00 0.00 C ATOM 675 CG TYR A 42 0.385 1.936 -7.872 1.00 0.00 C ATOM 676 CD1 TYR A 42 -0.120 1.539 -9.122 1.00 0.00 C ATOM 677 CD2 TYR A 42 1.482 1.247 -7.332 1.00 0.00 C ATOM 678 CE1 TYR A 42 0.473 0.486 -9.832 1.00 0.00 C ATOM 679 CE2 TYR A 42 2.077 0.191 -8.039 1.00 0.00 C ATOM 680 CZ TYR A 42 1.575 -0.185 -9.290 1.00 0.00 C ATOM 681 OH TYR A 42 2.193 -1.226 -10.009 1.00 0.00 O ATOM 0 H TYR A 42 1.839 4.389 -6.577 1.00 0.00 H new ATOM 0 HA TYR A 42 0.271 4.227 -8.912 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.063 3.104 -6.108 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.332 2.998 -7.163 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.974 2.051 -9.540 1.00 0.00 H new ATOM 0 HD2 TYR A 42 1.871 1.532 -6.365 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.081 0.193 -10.795 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.923 -0.332 -7.617 1.00 0.00 H new ATOM 0 HH TYR A 42 2.943 -1.583 -9.489 1.00 0.00 H new ATOM 691 N CYS A 43 -0.847 6.319 -6.609 1.00 0.00 N ATOM 692 CA CYS A 43 -1.690 7.507 -6.471 1.00 0.00 C ATOM 693 C CYS A 43 -1.511 8.522 -7.600 1.00 0.00 C ATOM 694 O CYS A 43 -2.501 9.081 -8.071 1.00 0.00 O ATOM 695 CB CYS A 43 -1.512 8.240 -5.113 1.00 0.00 C ATOM 696 SG CYS A 43 -1.952 7.202 -3.682 1.00 0.00 S ATOM 0 H CYS A 43 -0.211 6.176 -5.825 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.701 7.102 -6.523 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.476 8.565 -5.015 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.130 9.138 -5.107 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.135 6.194 -3.610 1.00 0.00 H new ATOM 702 N ASP A 44 -0.275 8.750 -8.103 1.00 0.00 N ATOM 703 CA ASP A 44 -0.007 9.517 -9.318 1.00 0.00 C ATOM 704 C ASP A 44 -0.678 8.931 -10.568 1.00 0.00 C ATOM 705 O ASP A 44 -1.328 9.637 -11.339 1.00 0.00 O ATOM 706 CB ASP A 44 1.513 9.596 -9.631 1.00 0.00 C ATOM 707 CG ASP A 44 2.283 10.394 -8.613 1.00 0.00 C ATOM 708 OD1 ASP A 44 1.892 11.558 -8.331 1.00 0.00 O ATOM 709 OD2 ASP A 44 3.371 9.932 -8.179 1.00 0.00 O ATOM 0 H ASP A 44 0.572 8.395 -7.659 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.419 10.503 -9.105 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.922 8.587 -9.678 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.653 10.042 -10.616 1.00 0.00 H new ATOM 714 N ARG A 45 -0.525 7.609 -10.795 1.00 0.00 N ATOM 715 CA ARG A 45 -1.122 6.889 -11.915 1.00 0.00 C ATOM 716 C ARG A 45 -2.642 6.892 -11.896 1.00 0.00 C ATOM 717 O ARG A 45 -3.292 7.121 -12.916 1.00 0.00 O ATOM 718 CB ARG A 45 -0.640 5.414 -11.947 1.00 0.00 C ATOM 719 CG ARG A 45 0.866 5.235 -12.220 1.00 0.00 C ATOM 720 CD ARG A 45 1.309 5.747 -13.591 1.00 0.00 C ATOM 721 NE ARG A 45 2.741 5.351 -13.764 1.00 0.00 N ATOM 722 CZ ARG A 45 3.801 6.126 -13.515 1.00 0.00 C ATOM 723 NH1 ARG A 45 3.677 7.363 -13.062 1.00 0.00 N ATOM 724 NH2 ARG A 45 5.012 5.643 -13.771 1.00 0.00 N ATOM 0 H ARG A 45 0.031 7.009 -10.185 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.793 7.423 -12.806 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.880 4.947 -10.992 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.201 4.879 -12.714 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.430 5.757 -11.448 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.117 4.178 -12.139 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.692 5.318 -14.381 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.198 6.830 -13.653 1.00 0.00 H new ATOM 0 HE ARG A 45 2.925 4.406 -14.102 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.750 7.753 -12.892 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.508 7.926 -12.883 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.116 4.701 -14.149 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.838 6.214 -13.590 1.00 0.00 H new ATOM 738 N ALA A 46 -3.263 6.661 -10.728 1.00 0.00 N ATOM 739 CA ALA A 46 -4.694 6.779 -10.551 1.00 0.00 C ATOM 740 C ALA A 46 -5.174 8.225 -10.685 1.00 0.00 C ATOM 741 O ALA A 46 -6.097 8.527 -11.441 1.00 0.00 O ATOM 742 CB ALA A 46 -5.071 6.209 -9.171 1.00 0.00 C ATOM 0 H ALA A 46 -2.768 6.385 -9.880 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.189 6.212 -11.339 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.148 6.292 -9.025 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.777 5.161 -9.118 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.555 6.770 -8.392 1.00 0.00 H new ATOM 748 N GLY A 47 -4.515 9.154 -9.969 1.00 0.00 N ATOM 749 CA GLY A 47 -4.834 10.574 -9.942 1.00 0.00 C ATOM 750 C GLY A 47 -5.634 10.918 -8.722 1.00 0.00 C ATOM 751 O GLY A 47 -6.682 11.556 -8.815 1.00 0.00 O ATOM 0 H GLY A 47 -3.719 8.918 -9.376 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.914 11.158 -9.955 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.395 10.842 -10.837 1.00 0.00 H new ATOM 755 N LEU A 48 -5.164 10.524 -7.527 1.00 0.00 N ATOM 756 CA LEU A 48 -5.917 10.712 -6.298 1.00 0.00 C ATOM 757 C LEU A 48 -5.013 10.930 -5.092 1.00 0.00 C ATOM 758 O LEU A 48 -3.790 10.997 -5.200 1.00 0.00 O ATOM 759 CB LEU A 48 -6.929 9.549 -6.078 1.00 0.00 C ATOM 760 CG LEU A 48 -6.351 8.115 -6.009 1.00 0.00 C ATOM 761 CD1 LEU A 48 -5.771 7.742 -4.634 1.00 0.00 C ATOM 762 CD2 LEU A 48 -7.444 7.105 -6.392 1.00 0.00 C ATOM 0 H LEU A 48 -4.259 10.072 -7.397 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.495 11.630 -6.408 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.469 9.741 -5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.661 9.580 -6.885 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.520 8.083 -6.714 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.386 6.723 -4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.962 8.428 -4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.553 7.811 -3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.039 6.094 -6.344 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.280 7.194 -5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.789 7.310 -7.405 1.00 0.00 H new ATOM 774 N SER A 49 -5.611 11.077 -3.892 1.00 0.00 N ATOM 775 CA SER A 49 -4.884 11.365 -2.663 1.00 0.00 C ATOM 776 C SER A 49 -5.421 10.529 -1.524 1.00 0.00 C ATOM 777 O SER A 49 -6.531 9.999 -1.595 1.00 0.00 O ATOM 778 CB SER A 49 -5.005 12.852 -2.229 1.00 0.00 C ATOM 779 OG SER A 49 -4.748 13.727 -3.325 1.00 0.00 O ATOM 0 H SER A 49 -6.619 10.996 -3.760 1.00 0.00 H new ATOM 0 HA SER A 49 -3.840 11.134 -2.875 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.004 13.040 -1.836 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.301 13.057 -1.422 1.00 0.00 H new ATOM 0 HG SER A 49 -4.832 14.657 -3.028 1.00 0.00 H new ATOM 785 N MET A 50 -4.670 10.418 -0.404 1.00 0.00 N ATOM 786 CA MET A 50 -5.061 9.614 0.752 1.00 0.00 C ATOM 787 C MET A 50 -6.125 10.272 1.641 1.00 0.00 C ATOM 788 O MET A 50 -6.556 9.756 2.674 1.00 0.00 O ATOM 789 CB MET A 50 -3.805 9.228 1.572 1.00 0.00 C ATOM 790 CG MET A 50 -3.871 7.814 2.183 1.00 0.00 C ATOM 791 SD MET A 50 -3.043 6.508 1.203 1.00 0.00 S ATOM 792 CE MET A 50 -4.167 6.387 -0.219 1.00 0.00 C ATOM 0 H MET A 50 -3.773 10.890 -0.287 1.00 0.00 H new ATOM 0 HA MET A 50 -5.536 8.714 0.360 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.928 9.295 0.929 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.669 9.954 2.374 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.422 7.842 3.176 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.918 7.540 2.315 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.891 5.527 -0.829 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.191 6.267 0.136 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.094 7.294 -0.818 1.00 0.00 H new ATOM 802 N GLN A 51 -6.614 11.444 1.205 1.00 0.00 N ATOM 803 CA GLN A 51 -7.832 12.090 1.646 1.00 0.00 C ATOM 804 C GLN A 51 -9.055 11.275 1.254 1.00 0.00 C ATOM 805 O GLN A 51 -9.799 10.762 2.089 1.00 0.00 O ATOM 806 CB GLN A 51 -7.927 13.482 0.967 1.00 0.00 C ATOM 807 CG GLN A 51 -6.934 14.515 1.536 1.00 0.00 C ATOM 808 CD GLN A 51 -7.483 15.118 2.829 1.00 0.00 C ATOM 809 OE1 GLN A 51 -7.726 14.437 3.830 1.00 0.00 O ATOM 810 NE2 GLN A 51 -7.718 16.446 2.811 1.00 0.00 N ATOM 0 H GLN A 51 -6.130 11.988 0.491 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.806 12.182 2.732 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -7.748 13.369 -0.102 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -8.941 13.864 1.081 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.972 14.039 1.728 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.759 15.303 0.804 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -7.510 16.989 1.973 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.104 16.907 3.635 1.00 0.00 H new ATOM 819 N VAL A 52 -9.274 11.121 -0.068 1.00 0.00 N ATOM 820 CA VAL A 52 -10.427 10.457 -0.637 1.00 0.00 C ATOM 821 C VAL A 52 -10.379 8.944 -0.469 1.00 0.00 C ATOM 822 O VAL A 52 -11.392 8.330 -0.124 1.00 0.00 O ATOM 823 CB VAL A 52 -10.674 10.863 -2.089 1.00 0.00 C ATOM 824 CG1 VAL A 52 -11.157 12.325 -2.098 1.00 0.00 C ATOM 825 CG2 VAL A 52 -9.418 10.718 -2.973 1.00 0.00 C ATOM 0 H VAL A 52 -8.626 11.470 -0.774 1.00 0.00 H new ATOM 0 HA VAL A 52 -11.286 10.803 -0.061 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.425 10.194 -2.510 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.341 12.641 -3.125 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.079 12.407 -1.522 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.393 12.963 -1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -9.654 11.021 -3.993 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.622 11.352 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -9.089 9.679 -2.970 1.00 0.00 H new ATOM 835 N VAL A 53 -9.212 8.304 -0.660 1.00 0.00 N ATOM 836 CA VAL A 53 -9.037 6.874 -0.461 1.00 0.00 C ATOM 837 C VAL A 53 -8.358 6.619 0.880 1.00 0.00 C ATOM 838 O VAL A 53 -7.340 7.219 1.201 1.00 0.00 O ATOM 839 CB VAL A 53 -8.235 6.247 -1.597 1.00 0.00 C ATOM 840 CG1 VAL A 53 -8.020 4.741 -1.363 1.00 0.00 C ATOM 841 CG2 VAL A 53 -9.003 6.442 -2.920 1.00 0.00 C ATOM 0 H VAL A 53 -8.361 8.780 -0.960 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.021 6.406 -0.459 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.260 6.733 -1.640 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.445 4.323 -2.189 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.476 4.592 -0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.986 4.240 -1.303 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.437 5.997 -3.738 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.978 5.960 -2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -9.137 7.507 -3.109 1.00 0.00 H new ATOM 851 N ARG A 54 -8.913 5.724 1.723 1.00 0.00 N ATOM 852 CA ARG A 54 -8.357 5.398 3.032 1.00 0.00 C ATOM 853 C ARG A 54 -7.850 3.956 3.061 1.00 0.00 C ATOM 854 O ARG A 54 -8.051 3.208 2.110 1.00 0.00 O ATOM 855 CB ARG A 54 -9.435 5.643 4.126 1.00 0.00 C ATOM 856 CG ARG A 54 -9.045 6.657 5.221 1.00 0.00 C ATOM 857 CD ARG A 54 -8.755 8.082 4.723 1.00 0.00 C ATOM 858 NE ARG A 54 -8.695 8.923 5.958 1.00 0.00 N ATOM 859 CZ ARG A 54 -8.195 10.160 6.033 1.00 0.00 C ATOM 860 NH1 ARG A 54 -7.520 10.744 5.066 1.00 0.00 N ATOM 861 NH2 ARG A 54 -8.384 10.815 7.173 1.00 0.00 N ATOM 0 H ARG A 54 -9.766 5.209 1.503 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.503 6.045 3.233 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.348 5.989 3.642 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.668 4.691 4.602 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.850 6.703 5.954 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.162 6.284 5.740 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.815 8.123 4.172 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.536 8.430 4.047 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.068 8.518 6.817 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.350 10.248 4.191 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.166 11.692 5.192 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.891 10.370 7.939 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.023 11.762 7.283 1.00 0.00 H new ATOM 875 N PHE A 55 -7.182 3.504 4.143 1.00 0.00 N ATOM 876 CA PHE A 55 -6.704 2.127 4.228 1.00 0.00 C ATOM 877 C PHE A 55 -6.643 1.616 5.668 1.00 0.00 C ATOM 878 O PHE A 55 -6.595 2.396 6.622 1.00 0.00 O ATOM 879 CB PHE A 55 -5.323 1.931 3.523 1.00 0.00 C ATOM 880 CG PHE A 55 -4.205 2.697 4.190 1.00 0.00 C ATOM 881 CD1 PHE A 55 -3.930 4.027 3.834 1.00 0.00 C ATOM 882 CD2 PHE A 55 -3.428 2.087 5.192 1.00 0.00 C ATOM 883 CE1 PHE A 55 -2.905 4.738 4.472 1.00 0.00 C ATOM 884 CE2 PHE A 55 -2.407 2.796 5.834 1.00 0.00 C ATOM 885 CZ PHE A 55 -2.144 4.121 5.475 1.00 0.00 C ATOM 0 H PHE A 55 -6.967 4.076 4.960 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.442 1.529 3.693 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.074 0.870 3.514 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.404 2.249 2.483 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.514 4.506 3.062 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.622 1.061 5.468 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.701 5.761 4.191 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.822 2.320 6.607 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.356 4.669 5.970 1.00 0.00 H new ATOM 895 N ARG A 56 -6.635 0.280 5.852 1.00 0.00 N ATOM 896 CA ARG A 56 -6.340 -0.380 7.118 1.00 0.00 C ATOM 897 C ARG A 56 -5.487 -1.612 6.853 1.00 0.00 C ATOM 898 O ARG A 56 -5.611 -2.266 5.820 1.00 0.00 O ATOM 899 CB ARG A 56 -7.599 -0.892 7.869 1.00 0.00 C ATOM 900 CG ARG A 56 -8.756 0.104 8.081 1.00 0.00 C ATOM 901 CD ARG A 56 -8.665 0.928 9.359 1.00 0.00 C ATOM 902 NE ARG A 56 -7.543 1.879 9.156 1.00 0.00 N ATOM 903 CZ ARG A 56 -7.162 2.766 10.072 1.00 0.00 C ATOM 904 NH1 ARG A 56 -7.568 2.672 11.325 1.00 0.00 N ATOM 905 NH2 ARG A 56 -6.382 3.772 9.696 1.00 0.00 N ATOM 0 H ARG A 56 -6.840 -0.377 5.099 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.844 0.373 7.731 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.990 -1.751 7.323 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.283 -1.254 8.848 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.792 0.783 7.229 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.696 -0.449 8.088 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.598 1.460 9.547 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.483 0.289 10.223 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.039 1.851 8.270 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.185 1.909 11.605 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.265 3.362 12.012 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.088 3.853 8.723 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.077 4.464 10.380 1.00 0.00 H new ATOM 919 N PHE A 57 -4.620 -1.987 7.803 1.00 0.00 N ATOM 920 CA PHE A 57 -3.879 -3.234 7.788 1.00 0.00 C ATOM 921 C PHE A 57 -4.386 -4.058 8.958 1.00 0.00 C ATOM 922 O PHE A 57 -4.183 -3.673 10.107 1.00 0.00 O ATOM 923 CB PHE A 57 -2.364 -2.922 7.942 1.00 0.00 C ATOM 924 CG PHE A 57 -1.530 -4.154 8.151 1.00 0.00 C ATOM 925 CD1 PHE A 57 -1.491 -5.145 7.163 1.00 0.00 C ATOM 926 CD2 PHE A 57 -0.843 -4.363 9.360 1.00 0.00 C ATOM 927 CE1 PHE A 57 -0.789 -6.332 7.383 1.00 0.00 C ATOM 928 CE2 PHE A 57 -0.127 -5.548 9.576 1.00 0.00 C ATOM 929 CZ PHE A 57 -0.100 -6.534 8.583 1.00 0.00 C ATOM 0 H PHE A 57 -4.417 -1.410 8.619 1.00 0.00 H new ATOM 0 HA PHE A 57 -4.017 -3.782 6.856 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.014 -2.399 7.052 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.222 -2.246 8.785 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.006 -4.991 6.226 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.867 -3.604 10.128 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.778 -7.098 6.622 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.402 -5.700 10.505 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.452 -7.449 8.743 1.00 0.00 H new ATOM 939 N ASP A 58 -5.098 -5.180 8.711 1.00 0.00 N ATOM 940 CA ASP A 58 -5.609 -6.059 9.758 1.00 0.00 C ATOM 941 C ASP A 58 -6.545 -5.344 10.770 1.00 0.00 C ATOM 942 O ASP A 58 -6.647 -5.688 11.948 1.00 0.00 O ATOM 943 CB ASP A 58 -4.385 -6.793 10.384 1.00 0.00 C ATOM 944 CG ASP A 58 -4.741 -8.046 11.137 1.00 0.00 C ATOM 945 OD1 ASP A 58 -5.512 -8.887 10.614 1.00 0.00 O ATOM 946 OD2 ASP A 58 -4.207 -8.242 12.264 1.00 0.00 O ATOM 0 H ASP A 58 -5.330 -5.493 7.768 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.281 -6.805 9.334 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.682 -7.046 9.591 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.871 -6.109 11.060 1.00 0.00 H new ATOM 951 N GLY A 59 -7.248 -4.282 10.302 1.00 0.00 N ATOM 952 CA GLY A 59 -8.062 -3.385 11.128 1.00 0.00 C ATOM 953 C GLY A 59 -7.326 -2.158 11.630 1.00 0.00 C ATOM 954 O GLY A 59 -7.928 -1.193 12.096 1.00 0.00 O ATOM 0 H GLY A 59 -7.258 -4.028 9.314 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.928 -3.063 10.549 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.441 -3.943 11.985 1.00 0.00 H new ATOM 958 N GLN A 60 -5.986 -2.165 11.572 1.00 0.00 N ATOM 959 CA GLN A 60 -5.116 -1.255 12.293 1.00 0.00 C ATOM 960 C GLN A 60 -4.359 -0.280 11.373 1.00 0.00 C ATOM 961 O GLN A 60 -4.283 -0.487 10.160 1.00 0.00 O ATOM 962 CB GLN A 60 -4.120 -2.118 13.117 1.00 0.00 C ATOM 963 CG GLN A 60 -4.852 -3.076 14.096 1.00 0.00 C ATOM 964 CD GLN A 60 -3.897 -3.975 14.880 1.00 0.00 C ATOM 965 OE1 GLN A 60 -2.692 -4.039 14.654 1.00 0.00 O ATOM 966 NE2 GLN A 60 -4.471 -4.726 15.847 1.00 0.00 N ATOM 0 H GLN A 60 -5.471 -2.833 10.998 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.727 -0.625 12.940 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.497 -2.700 12.438 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.454 -1.464 13.680 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.445 -2.487 14.796 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.548 -3.698 13.534 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.474 -4.657 16.018 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.901 -5.361 16.405 1.00 0.00 H new ATOM 975 N PRO A 61 -3.796 0.819 11.876 1.00 0.00 N ATOM 976 CA PRO A 61 -2.957 1.714 11.080 1.00 0.00 C ATOM 977 C PRO A 61 -1.508 1.239 10.910 1.00 0.00 C ATOM 978 O PRO A 61 -0.711 1.330 11.844 1.00 0.00 O ATOM 979 CB PRO A 61 -3.018 3.042 11.858 1.00 0.00 C ATOM 980 CG PRO A 61 -3.247 2.629 13.315 1.00 0.00 C ATOM 981 CD PRO A 61 -4.143 1.400 13.179 1.00 0.00 C ATOM 0 HA PRO A 61 -3.319 1.779 10.054 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.093 3.608 11.748 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.826 3.677 11.495 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.311 2.393 13.821 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.729 3.420 13.889 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.965 0.691 13.987 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.197 1.674 13.221 1.00 0.00 H new ATOM 989 N ILE A 62 -1.119 0.784 9.702 1.00 0.00 N ATOM 990 CA ILE A 62 0.283 0.653 9.297 1.00 0.00 C ATOM 991 C ILE A 62 0.792 2.000 8.770 1.00 0.00 C ATOM 992 O ILE A 62 -0.007 2.849 8.377 1.00 0.00 O ATOM 993 CB ILE A 62 0.468 -0.482 8.287 1.00 0.00 C ATOM 994 CG1 ILE A 62 1.951 -0.892 8.108 1.00 0.00 C ATOM 995 CG2 ILE A 62 -0.217 -0.147 6.941 1.00 0.00 C ATOM 996 CD1 ILE A 62 2.119 -2.237 7.391 1.00 0.00 C ATOM 0 H ILE A 62 -1.779 0.497 8.979 1.00 0.00 H new ATOM 0 HA ILE A 62 0.885 0.383 10.165 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.030 -1.359 8.699 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.470 -0.118 7.543 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.428 -0.946 9.087 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.069 -0.971 6.243 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.284 0.004 7.104 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.219 0.762 6.527 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.180 -2.469 7.296 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.627 -3.020 7.967 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.670 -2.179 6.399 1.00 0.00 H new ATOM 1008 N ASN A 63 2.117 2.269 8.771 1.00 0.00 N ATOM 1009 CA ASN A 63 2.648 3.526 8.274 1.00 0.00 C ATOM 1010 C ASN A 63 3.334 3.320 6.932 1.00 0.00 C ATOM 1011 O ASN A 63 3.972 2.312 6.652 1.00 0.00 O ATOM 1012 CB ASN A 63 3.631 4.175 9.282 1.00 0.00 C ATOM 1013 CG ASN A 63 2.867 4.632 10.523 1.00 0.00 C ATOM 1014 OD1 ASN A 63 2.173 5.648 10.508 1.00 0.00 O ATOM 1015 ND2 ASN A 63 2.987 3.880 11.636 1.00 0.00 N ATOM 0 H ASN A 63 2.826 1.621 9.114 1.00 0.00 H new ATOM 0 HA ASN A 63 1.807 4.207 8.145 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.405 3.460 9.562 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.134 5.024 8.819 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.497 4.150 12.489 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.568 3.042 11.625 1.00 0.00 H new ATOM 1022 N GLU A 64 3.232 4.311 6.025 1.00 0.00 N ATOM 1023 CA GLU A 64 3.752 4.199 4.674 1.00 0.00 C ATOM 1024 C GLU A 64 5.282 4.200 4.576 1.00 0.00 C ATOM 1025 O GLU A 64 5.862 3.771 3.580 1.00 0.00 O ATOM 1026 CB GLU A 64 3.130 5.298 3.776 1.00 0.00 C ATOM 1027 CG GLU A 64 3.163 6.735 4.358 1.00 0.00 C ATOM 1028 CD GLU A 64 2.686 7.798 3.366 1.00 0.00 C ATOM 1029 OE1 GLU A 64 2.419 7.470 2.186 1.00 0.00 O ATOM 1030 OE2 GLU A 64 2.700 8.994 3.756 1.00 0.00 O ATOM 0 H GLU A 64 2.785 5.206 6.221 1.00 0.00 H new ATOM 0 HA GLU A 64 3.454 3.214 4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.653 5.300 2.820 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.093 5.032 3.571 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.538 6.773 5.250 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.180 6.970 4.671 1.00 0.00 H new ATOM 1037 N ASN A 65 5.994 4.641 5.629 1.00 0.00 N ATOM 1038 CA ASN A 65 7.450 4.606 5.679 1.00 0.00 C ATOM 1039 C ASN A 65 8.018 3.232 6.029 1.00 0.00 C ATOM 1040 O ASN A 65 9.226 3.016 5.926 1.00 0.00 O ATOM 1041 CB ASN A 65 8.009 5.602 6.726 1.00 0.00 C ATOM 1042 CG ASN A 65 7.469 7.006 6.484 1.00 0.00 C ATOM 1043 OD1 ASN A 65 7.742 7.652 5.468 1.00 0.00 O ATOM 1044 ND2 ASN A 65 6.671 7.508 7.452 1.00 0.00 N ATOM 0 H ASN A 65 5.565 5.032 6.468 1.00 0.00 H new ATOM 0 HA ASN A 65 7.759 4.876 4.669 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.738 5.272 7.729 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.098 5.614 6.678 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.277 8.444 7.354 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.463 6.951 8.281 1.00 0.00 H new ATOM 1051 N ASP A 66 7.179 2.270 6.471 1.00 0.00 N ATOM 1052 CA ASP A 66 7.639 0.968 6.921 1.00 0.00 C ATOM 1053 C ASP A 66 8.198 0.101 5.772 1.00 0.00 C ATOM 1054 O ASP A 66 7.977 0.346 4.585 1.00 0.00 O ATOM 1055 CB ASP A 66 6.522 0.237 7.723 1.00 0.00 C ATOM 1056 CG ASP A 66 6.147 1.000 8.984 1.00 0.00 C ATOM 1057 OD1 ASP A 66 7.062 1.529 9.667 1.00 0.00 O ATOM 1058 OD2 ASP A 66 4.937 1.052 9.332 1.00 0.00 O ATOM 0 H ASP A 66 6.167 2.389 6.520 1.00 0.00 H new ATOM 0 HA ASP A 66 8.479 1.136 7.595 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.640 0.118 7.094 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.861 -0.764 7.990 1.00 0.00 H new ATOM 1063 N THR A 67 9.017 -0.918 6.107 1.00 0.00 N ATOM 1064 CA THR A 67 9.758 -1.718 5.122 1.00 0.00 C ATOM 1065 C THR A 67 9.793 -3.167 5.561 1.00 0.00 C ATOM 1066 O THR A 67 9.981 -3.417 6.751 1.00 0.00 O ATOM 1067 CB THR A 67 11.224 -1.306 4.939 1.00 0.00 C ATOM 1068 OG1 THR A 67 11.769 -0.821 6.157 1.00 0.00 O ATOM 1069 CG2 THR A 67 11.323 -0.177 3.914 1.00 0.00 C ATOM 0 H THR A 67 9.180 -1.206 7.072 1.00 0.00 H new ATOM 0 HA THR A 67 9.228 -1.558 4.183 1.00 0.00 H new ATOM 0 HB THR A 67 11.774 -2.186 4.607 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.705 -0.566 6.018 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.367 0.111 3.789 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.923 -0.517 2.959 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.749 0.682 4.262 1.00 0.00 H new ATOM 1077 N PRO A 68 9.661 -4.172 4.695 1.00 0.00 N ATOM 1078 CA PRO A 68 9.610 -5.563 5.137 1.00 0.00 C ATOM 1079 C PRO A 68 10.970 -6.088 5.565 1.00 0.00 C ATOM 1080 O PRO A 68 11.009 -7.092 6.269 1.00 0.00 O ATOM 1081 CB PRO A 68 9.058 -6.311 3.911 1.00 0.00 C ATOM 1082 CG PRO A 68 9.507 -5.465 2.718 1.00 0.00 C ATOM 1083 CD PRO A 68 9.408 -4.037 3.257 1.00 0.00 C ATOM 0 HA PRO A 68 8.990 -5.694 6.024 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.455 -7.325 3.852 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.972 -6.396 3.952 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.523 -5.710 2.408 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.864 -5.615 1.851 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.140 -3.382 2.784 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.425 -3.607 3.065 1.00 0.00 H new ATOM 1091 N THR A 69 12.094 -5.430 5.216 1.00 0.00 N ATOM 1092 CA THR A 69 13.426 -5.772 5.726 1.00 0.00 C ATOM 1093 C THR A 69 13.637 -5.343 7.163 1.00 0.00 C ATOM 1094 O THR A 69 14.521 -5.844 7.850 1.00 0.00 O ATOM 1095 CB THR A 69 14.569 -5.172 4.921 1.00 0.00 C ATOM 1096 OG1 THR A 69 14.361 -3.788 4.672 1.00 0.00 O ATOM 1097 CG2 THR A 69 14.656 -5.875 3.561 1.00 0.00 C ATOM 0 H THR A 69 12.097 -4.642 4.568 1.00 0.00 H new ATOM 0 HA THR A 69 13.447 -6.858 5.640 1.00 0.00 H new ATOM 0 HB THR A 69 15.483 -5.303 5.500 1.00 0.00 H new ATOM 0 HG1 THR A 69 15.113 -3.432 4.155 1.00 0.00 H new ATOM 0 HG21 THR A 69 15.474 -5.447 2.982 1.00 0.00 H new ATOM 0 HG22 THR A 69 14.836 -6.939 3.712 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.719 -5.739 3.021 1.00 0.00 H new ATOM 1105 N SER A 70 12.803 -4.423 7.681 1.00 0.00 N ATOM 1106 CA SER A 70 12.851 -4.027 9.083 1.00 0.00 C ATOM 1107 C SER A 70 12.030 -4.968 9.956 1.00 0.00 C ATOM 1108 O SER A 70 12.128 -4.958 11.183 1.00 0.00 O ATOM 1109 CB SER A 70 12.336 -2.580 9.305 1.00 0.00 C ATOM 1110 OG SER A 70 13.099 -1.645 8.534 1.00 0.00 O ATOM 0 H SER A 70 12.086 -3.942 7.138 1.00 0.00 H new ATOM 0 HA SER A 70 13.902 -4.077 9.369 1.00 0.00 H new ATOM 0 HB2 SER A 70 11.284 -2.516 9.025 1.00 0.00 H new ATOM 0 HB3 SER A 70 12.400 -2.324 10.363 1.00 0.00 H new ATOM 0 HG SER A 70 12.597 -1.398 7.730 1.00 0.00 H new ATOM 1116 N LEU A 71 11.185 -5.812 9.330 1.00 0.00 N ATOM 1117 CA LEU A 71 10.283 -6.730 10.005 1.00 0.00 C ATOM 1118 C LEU A 71 10.711 -8.191 9.858 1.00 0.00 C ATOM 1119 O LEU A 71 10.877 -8.893 10.854 1.00 0.00 O ATOM 1120 CB LEU A 71 8.849 -6.516 9.463 1.00 0.00 C ATOM 1121 CG LEU A 71 7.741 -7.224 10.268 1.00 0.00 C ATOM 1122 CD1 LEU A 71 7.590 -6.656 11.689 1.00 0.00 C ATOM 1123 CD2 LEU A 71 6.400 -7.145 9.526 1.00 0.00 C ATOM 0 H LEU A 71 11.119 -5.865 8.313 1.00 0.00 H new ATOM 0 HA LEU A 71 10.313 -6.513 11.073 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.638 -5.447 9.445 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.810 -6.866 8.432 1.00 0.00 H new ATOM 0 HG LEU A 71 8.041 -8.267 10.365 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.797 -7.190 12.212 1.00 0.00 H new ATOM 0 HD12 LEU A 71 8.528 -6.778 12.231 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.338 -5.597 11.633 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.631 -7.650 10.110 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.122 -6.100 9.387 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.493 -7.628 8.553 1.00 0.00 H new ATOM 1135 N GLU A 72 10.903 -8.658 8.605 1.00 0.00 N ATOM 1136 CA GLU A 72 11.366 -9.987 8.215 1.00 0.00 C ATOM 1137 C GLU A 72 10.486 -11.178 8.609 1.00 0.00 C ATOM 1138 O GLU A 72 10.855 -12.012 9.431 1.00 0.00 O ATOM 1139 CB GLU A 72 12.867 -10.231 8.539 1.00 0.00 C ATOM 1140 CG GLU A 72 13.783 -9.078 8.046 1.00 0.00 C ATOM 1141 CD GLU A 72 15.240 -9.471 7.931 1.00 0.00 C ATOM 1142 OE1 GLU A 72 15.609 -10.103 6.908 1.00 0.00 O ATOM 1143 OE2 GLU A 72 16.063 -9.130 8.821 1.00 0.00 O ATOM 0 H GLU A 72 10.724 -8.069 7.792 1.00 0.00 H new ATOM 0 HA GLU A 72 11.256 -9.951 7.131 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.987 -10.350 9.616 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.187 -11.166 8.078 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.430 -8.735 7.074 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.695 -8.236 8.733 1.00 0.00 H new ATOM 1150 N MET A 73 9.296 -11.301 7.975 1.00 0.00 N ATOM 1151 CA MET A 73 8.369 -12.405 8.194 1.00 0.00 C ATOM 1152 C MET A 73 8.155 -13.218 6.908 1.00 0.00 C ATOM 1153 O MET A 73 9.092 -13.751 6.313 1.00 0.00 O ATOM 1154 CB MET A 73 7.015 -11.878 8.749 1.00 0.00 C ATOM 1155 CG MET A 73 7.147 -11.093 10.069 1.00 0.00 C ATOM 1156 SD MET A 73 7.732 -12.074 11.480 1.00 0.00 S ATOM 1157 CE MET A 73 7.738 -10.675 12.634 1.00 0.00 C ATOM 0 H MET A 73 8.961 -10.622 7.292 1.00 0.00 H new ATOM 0 HA MET A 73 8.809 -13.072 8.936 1.00 0.00 H new ATOM 0 HB2 MET A 73 6.551 -11.236 8.000 1.00 0.00 H new ATOM 0 HB3 MET A 73 6.344 -12.722 8.905 1.00 0.00 H new ATOM 0 HG2 MET A 73 7.833 -10.260 9.914 1.00 0.00 H new ATOM 0 HG3 MET A 73 6.177 -10.664 10.319 1.00 0.00 H new ATOM 0 HE1 MET A 73 8.071 -11.014 13.615 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.415 -9.904 12.267 1.00 0.00 H new ATOM 0 HE3 MET A 73 6.731 -10.265 12.714 1.00 0.00 H new ATOM 1167 N GLU A 74 6.892 -13.347 6.452 1.00 0.00 N ATOM 1168 CA GLU A 74 6.486 -14.063 5.254 1.00 0.00 C ATOM 1169 C GLU A 74 6.284 -13.102 4.075 1.00 0.00 C ATOM 1170 O GLU A 74 6.948 -12.068 3.975 1.00 0.00 O ATOM 1171 CB GLU A 74 5.218 -14.905 5.583 1.00 0.00 C ATOM 1172 CG GLU A 74 4.012 -14.092 6.126 1.00 0.00 C ATOM 1173 CD GLU A 74 2.892 -14.988 6.625 1.00 0.00 C ATOM 1174 OE1 GLU A 74 2.036 -15.416 5.812 1.00 0.00 O ATOM 1175 OE2 GLU A 74 2.837 -15.245 7.857 1.00 0.00 O ATOM 0 H GLU A 74 6.100 -12.930 6.942 1.00 0.00 H new ATOM 0 HA GLU A 74 7.274 -14.747 4.938 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.905 -15.431 4.681 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.485 -15.664 6.318 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.347 -13.447 6.938 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.631 -13.442 5.339 1.00 0.00 H new ATOM 1182 N GLU A 75 5.374 -13.409 3.132 1.00 0.00 N ATOM 1183 CA GLU A 75 5.016 -12.494 2.064 1.00 0.00 C ATOM 1184 C GLU A 75 3.548 -12.637 1.717 1.00 0.00 C ATOM 1185 O GLU A 75 2.878 -13.549 2.203 1.00 0.00 O ATOM 1186 CB GLU A 75 5.848 -12.687 0.767 1.00 0.00 C ATOM 1187 CG GLU A 75 5.657 -14.039 0.023 1.00 0.00 C ATOM 1188 CD GLU A 75 5.951 -13.942 -1.467 1.00 0.00 C ATOM 1189 OE1 GLU A 75 6.023 -12.809 -2.004 1.00 0.00 O ATOM 1190 OE2 GLU A 75 6.032 -15.003 -2.138 1.00 0.00 O ATOM 0 H GLU A 75 4.875 -14.298 3.100 1.00 0.00 H new ATOM 0 HA GLU A 75 5.235 -11.498 2.449 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.601 -11.879 0.078 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.903 -12.580 1.018 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.310 -14.789 0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.633 -14.384 0.164 1.00 0.00 H new ATOM 1197 N GLY A 76 3.003 -11.759 0.847 1.00 0.00 N ATOM 1198 CA GLY A 76 1.608 -11.819 0.412 1.00 0.00 C ATOM 1199 C GLY A 76 0.674 -11.094 1.339 1.00 0.00 C ATOM 1200 O GLY A 76 -0.457 -11.520 1.536 1.00 0.00 O ATOM 0 H GLY A 76 3.528 -10.990 0.431 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.526 -11.390 -0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.301 -12.862 0.338 1.00 0.00 H new ATOM 1204 N ASP A 77 1.123 -9.980 1.937 1.00 0.00 N ATOM 1205 CA ASP A 77 0.461 -9.402 3.090 1.00 0.00 C ATOM 1206 C ASP A 77 -0.816 -8.609 2.759 1.00 0.00 C ATOM 1207 O ASP A 77 -1.006 -8.124 1.644 1.00 0.00 O ATOM 1208 CB ASP A 77 1.502 -8.585 3.900 1.00 0.00 C ATOM 1209 CG ASP A 77 1.210 -8.616 5.386 1.00 0.00 C ATOM 1210 OD1 ASP A 77 0.140 -9.148 5.781 1.00 0.00 O ATOM 1211 OD2 ASP A 77 2.071 -8.135 6.157 1.00 0.00 O ATOM 0 H ASP A 77 1.949 -9.467 1.629 1.00 0.00 H new ATOM 0 HA ASP A 77 0.084 -10.216 3.708 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.499 -8.985 3.717 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.504 -7.552 3.552 1.00 0.00 H new ATOM 1216 N THR A 78 -1.739 -8.519 3.734 1.00 0.00 N ATOM 1217 CA THR A 78 -3.156 -8.200 3.531 1.00 0.00 C ATOM 1218 C THR A 78 -3.557 -6.796 3.959 1.00 0.00 C ATOM 1219 O THR A 78 -3.788 -6.521 5.135 1.00 0.00 O ATOM 1220 CB THR A 78 -4.083 -9.192 4.239 1.00 0.00 C ATOM 1221 OG1 THR A 78 -3.664 -9.462 5.575 1.00 0.00 O ATOM 1222 CG2 THR A 78 -4.031 -10.533 3.493 1.00 0.00 C ATOM 0 H THR A 78 -1.507 -8.672 4.715 1.00 0.00 H new ATOM 0 HA THR A 78 -3.275 -8.270 2.450 1.00 0.00 H new ATOM 0 HB THR A 78 -5.079 -8.749 4.251 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.510 -8.617 6.047 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.687 -11.250 3.987 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.359 -10.390 2.464 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.009 -10.913 3.498 1.00 0.00 H new ATOM 1230 N ILE A 79 -3.700 -5.857 2.991 1.00 0.00 N ATOM 1231 CA ILE A 79 -4.107 -4.480 3.252 1.00 0.00 C ATOM 1232 C ILE A 79 -5.447 -4.151 2.580 1.00 0.00 C ATOM 1233 O ILE A 79 -5.650 -4.353 1.383 1.00 0.00 O ATOM 1234 CB ILE A 79 -2.993 -3.480 2.901 1.00 0.00 C ATOM 1235 CG1 ILE A 79 -3.340 -2.042 3.354 1.00 0.00 C ATOM 1236 CG2 ILE A 79 -2.604 -3.551 1.408 1.00 0.00 C ATOM 1237 CD1 ILE A 79 -2.171 -1.058 3.231 1.00 0.00 C ATOM 0 H ILE A 79 -3.531 -6.050 2.004 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.272 -4.380 4.325 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.109 -3.776 3.466 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.176 -1.675 2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.674 -2.068 4.391 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.814 -2.828 1.203 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.248 -4.554 1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.475 -3.321 0.794 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.489 -0.071 3.567 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.340 -1.401 3.848 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.851 -1.002 2.191 1.00 0.00 H new ATOM 1249 N GLU A 80 -6.431 -3.640 3.353 1.00 0.00 N ATOM 1250 CA GLU A 80 -7.754 -3.284 2.861 1.00 0.00 C ATOM 1251 C GLU A 80 -7.848 -1.782 2.593 1.00 0.00 C ATOM 1252 O GLU A 80 -7.409 -0.941 3.380 1.00 0.00 O ATOM 1253 CB GLU A 80 -8.894 -3.765 3.809 1.00 0.00 C ATOM 1254 CG GLU A 80 -8.674 -3.397 5.295 1.00 0.00 C ATOM 1255 CD GLU A 80 -9.880 -3.610 6.193 1.00 0.00 C ATOM 1256 OE1 GLU A 80 -10.413 -4.743 6.286 1.00 0.00 O ATOM 1257 OE2 GLU A 80 -10.294 -2.634 6.870 1.00 0.00 O ATOM 0 H GLU A 80 -6.313 -3.466 4.351 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.896 -3.810 1.917 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.837 -3.333 3.474 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.991 -4.847 3.724 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.843 -3.988 5.681 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.376 -2.350 5.354 1.00 0.00 H new ATOM 1264 N VAL A 81 -8.393 -1.412 1.421 1.00 0.00 N ATOM 1265 CA VAL A 81 -8.378 -0.067 0.876 1.00 0.00 C ATOM 1266 C VAL A 81 -9.793 0.443 0.645 1.00 0.00 C ATOM 1267 O VAL A 81 -10.637 -0.176 -0.004 1.00 0.00 O ATOM 1268 CB VAL A 81 -7.556 -0.005 -0.407 1.00 0.00 C ATOM 1269 CG1 VAL A 81 -7.611 1.388 -1.058 1.00 0.00 C ATOM 1270 CG2 VAL A 81 -6.095 -0.342 -0.057 1.00 0.00 C ATOM 0 H VAL A 81 -8.872 -2.077 0.813 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.903 0.586 1.608 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.969 -0.718 -1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.012 1.388 -1.969 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.644 1.635 -1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.216 2.130 -0.364 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.486 -0.304 -0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.718 0.382 0.665 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.045 -1.343 0.372 1.00 0.00 H new ATOM 1280 N TYR A 82 -10.093 1.630 1.188 1.00 0.00 N ATOM 1281 CA TYR A 82 -11.418 2.205 1.234 1.00 0.00 C ATOM 1282 C TYR A 82 -11.556 3.298 0.189 1.00 0.00 C ATOM 1283 O TYR A 82 -11.315 4.475 0.458 1.00 0.00 O ATOM 1284 CB TYR A 82 -11.722 2.813 2.632 1.00 0.00 C ATOM 1285 CG TYR A 82 -11.900 1.739 3.671 1.00 0.00 C ATOM 1286 CD1 TYR A 82 -10.802 1.028 4.190 1.00 0.00 C ATOM 1287 CD2 TYR A 82 -13.187 1.428 4.141 1.00 0.00 C ATOM 1288 CE1 TYR A 82 -10.994 -0.001 5.123 1.00 0.00 C ATOM 1289 CE2 TYR A 82 -13.377 0.413 5.087 1.00 0.00 C ATOM 1290 CZ TYR A 82 -12.283 -0.305 5.571 1.00 0.00 C ATOM 1291 OH TYR A 82 -12.501 -1.336 6.498 1.00 0.00 O ATOM 0 H TYR A 82 -9.387 2.227 1.619 1.00 0.00 H new ATOM 0 HA TYR A 82 -12.128 1.403 1.032 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -10.908 3.475 2.927 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.625 3.422 2.577 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -9.802 1.277 3.867 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -14.039 1.978 3.769 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.147 -0.558 5.495 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -14.371 0.186 5.442 1.00 0.00 H new ATOM 0 HH TYR A 82 -11.650 -1.588 6.913 1.00 0.00 H new ATOM 1301 N GLN A 83 -11.985 2.930 -1.034 1.00 0.00 N ATOM 1302 CA GLN A 83 -12.523 3.864 -2.009 1.00 0.00 C ATOM 1303 C GLN A 83 -14.042 3.869 -1.867 1.00 0.00 C ATOM 1304 O GLN A 83 -14.650 2.841 -1.576 1.00 0.00 O ATOM 1305 CB GLN A 83 -12.089 3.488 -3.454 1.00 0.00 C ATOM 1306 CG GLN A 83 -12.795 4.296 -4.580 1.00 0.00 C ATOM 1307 CD GLN A 83 -12.150 4.192 -5.970 1.00 0.00 C ATOM 1308 OE1 GLN A 83 -11.929 5.229 -6.598 1.00 0.00 O ATOM 1309 NE2 GLN A 83 -11.879 2.971 -6.466 1.00 0.00 N ATOM 0 H GLN A 83 -11.962 1.965 -1.364 1.00 0.00 H new ATOM 0 HA GLN A 83 -12.130 4.863 -1.821 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -11.012 3.632 -3.544 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -12.283 2.427 -3.612 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -13.829 3.959 -4.652 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -12.822 5.346 -4.288 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -12.078 2.139 -5.911 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.474 2.877 -7.397 1.00 0.00 H new ATOM 1318 N GLN A 84 -14.688 5.042 -2.016 1.00 0.00 N ATOM 1319 CA GLN A 84 -16.130 5.173 -1.890 1.00 0.00 C ATOM 1320 C GLN A 84 -16.804 5.245 -3.259 1.00 0.00 C ATOM 1321 O GLN A 84 -17.256 4.234 -3.795 1.00 0.00 O ATOM 1322 CB GLN A 84 -16.471 6.390 -0.992 1.00 0.00 C ATOM 1323 CG GLN A 84 -17.966 6.475 -0.586 1.00 0.00 C ATOM 1324 CD GLN A 84 -18.257 7.684 0.308 1.00 0.00 C ATOM 1325 OE1 GLN A 84 -19.036 8.564 -0.052 1.00 0.00 O ATOM 1326 NE2 GLN A 84 -17.631 7.716 1.504 1.00 0.00 N ATOM 0 H GLN A 84 -14.213 5.919 -2.227 1.00 0.00 H new ATOM 0 HA GLN A 84 -16.528 4.282 -1.405 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -15.862 6.344 -0.089 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -16.195 7.305 -1.517 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -18.581 6.533 -1.484 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -18.251 5.562 -0.063 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -16.991 6.966 1.765 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -17.798 8.491 2.146 1.00 0.00 H new