USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 593 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 LYS NZ :NH3+ -167:sc= -0.0586 (180deg=-0.251) USER MOD Single : A 15 LYS NZ :NH3+ -165:sc= 1.21 (180deg=1.01) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0204 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.222 X(o=0.22,f=-0.14) USER MOD Single : A 23 ASN : amide:sc=-0.00757 K(o=-0.0076,f=-2.2!) USER MOD Single : A 30 ASN : amide:sc= 0.849 K(o=0.85,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0146 K(o=-0.015,f=-0.83) USER MOD Single : A 41 HIS : no HD1:sc= -0.218 K(o=-0.22,f=-1.7) USER MOD Single : A 51 HIS : no HD1:sc= 1.11 K(o=1.1,f=-3.8!) USER MOD Single : A 53 GLN : amide:sc= -0.727 K(o=-0.73,f=-1.9!) USER MOD Single : A 58 CYS SG : rot 78:sc= 1.15 USER MOD Single : A 61 SER OG : rot 62:sc= 0.793 USER MOD Single : A 63 MET CE :methyl 166:sc= -0.041 (180deg=-0.324) USER MOD Single : A 73 THR OG1 : rot 78:sc= 0.836 USER MOD Single : A 79 SER OG : rot 71:sc= 1.23 USER MOD Single : A 81 GLN : amide:sc= -3.04 K(o=-3,f=-5.5!) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 CYS SG : rot 67:sc= 0.077 USER MOD Single : A 86 MET CE :methyl -158:sc= -0.214 (180deg=-0.802) USER MOD ----------------------------------------------------------------- ATOM 148 N ASP A 10 -9.710 9.181 9.244 1.00 0.00 N ATOM 149 CA ASP A 10 -9.067 7.874 9.240 1.00 0.00 C ATOM 150 C ASP A 10 -10.028 6.815 8.727 1.00 0.00 C ATOM 151 O ASP A 10 -10.881 6.324 9.468 1.00 0.00 O ATOM 152 CB ASP A 10 -8.588 7.486 10.645 1.00 0.00 C ATOM 153 CG ASP A 10 -7.521 8.411 11.191 1.00 0.00 C ATOM 154 OD1 ASP A 10 -7.876 9.449 11.796 1.00 0.00 O ATOM 155 OD2 ASP A 10 -6.322 8.098 11.042 1.00 0.00 O ATOM 0 HA ASP A 10 -8.202 7.934 8.580 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.440 7.485 11.324 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.199 6.468 10.620 1.00 0.00 H new ATOM 160 N VAL A 11 -9.908 6.481 7.455 1.00 0.00 N ATOM 161 CA VAL A 11 -10.732 5.459 6.864 1.00 0.00 C ATOM 162 C VAL A 11 -10.106 4.094 7.104 1.00 0.00 C ATOM 163 O VAL A 11 -9.027 3.781 6.590 1.00 0.00 O ATOM 164 CB VAL A 11 -10.942 5.709 5.357 1.00 0.00 C ATOM 165 CG1 VAL A 11 -11.871 6.895 5.139 1.00 0.00 C ATOM 166 CG2 VAL A 11 -9.617 5.942 4.644 1.00 0.00 C ATOM 0 H VAL A 11 -9.241 6.910 6.813 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.713 5.489 7.337 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.401 4.816 4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.009 7.058 4.070 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -12.836 6.691 5.602 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -11.434 7.787 5.589 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.800 6.115 3.584 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.121 6.812 5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -8.980 5.066 4.764 1.00 0.00 H new ATOM 176 N LYS A 12 -10.762 3.297 7.927 1.00 0.00 N ATOM 177 CA LYS A 12 -10.241 1.992 8.274 1.00 0.00 C ATOM 178 C LYS A 12 -10.609 0.990 7.192 1.00 0.00 C ATOM 179 O LYS A 12 -11.619 1.154 6.503 1.00 0.00 O ATOM 180 CB LYS A 12 -10.773 1.511 9.634 1.00 0.00 C ATOM 181 CG LYS A 12 -10.570 2.497 10.778 1.00 0.00 C ATOM 182 CD LYS A 12 -11.772 3.414 10.943 1.00 0.00 C ATOM 183 CE LYS A 12 -11.589 4.392 12.096 1.00 0.00 C ATOM 184 NZ LYS A 12 -11.325 3.702 13.391 1.00 0.00 N ATOM 0 H LYS A 12 -11.653 3.531 8.365 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.157 2.073 8.351 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.838 1.299 9.539 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.283 0.572 9.890 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.398 1.950 11.705 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.678 3.095 10.591 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.934 3.969 10.019 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.665 2.814 11.115 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.761 5.064 11.870 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.483 5.008 12.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.426 4.380 14.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.006 2.926 13.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.359 3.318 13.389 1.00 0.00 H new ATOM 198 N TRP A 13 -9.796 -0.039 7.037 1.00 0.00 N ATOM 199 CA TRP A 13 -10.047 -1.043 6.024 1.00 0.00 C ATOM 200 C TRP A 13 -11.079 -2.044 6.508 1.00 0.00 C ATOM 201 O TRP A 13 -11.095 -2.415 7.683 1.00 0.00 O ATOM 202 CB TRP A 13 -8.759 -1.773 5.639 1.00 0.00 C ATOM 203 CG TRP A 13 -8.307 -1.463 4.247 1.00 0.00 C ATOM 204 CD1 TRP A 13 -9.049 -1.568 3.107 1.00 0.00 C ATOM 205 CD2 TRP A 13 -7.009 -1.015 3.843 1.00 0.00 C ATOM 206 NE1 TRP A 13 -8.299 -1.194 2.020 1.00 0.00 N ATOM 207 CE2 TRP A 13 -7.041 -0.853 2.444 1.00 0.00 C ATOM 208 CE3 TRP A 13 -5.826 -0.727 4.528 1.00 0.00 C ATOM 209 CZ2 TRP A 13 -5.932 -0.422 1.719 1.00 0.00 C ATOM 210 CZ3 TRP A 13 -4.727 -0.298 3.808 1.00 0.00 C ATOM 211 CH2 TRP A 13 -4.787 -0.148 2.416 1.00 0.00 C ATOM 0 H TRP A 13 -8.960 -0.200 7.598 1.00 0.00 H new ATOM 0 HA TRP A 13 -10.432 -0.532 5.142 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.970 -1.502 6.340 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -8.914 -2.848 5.734 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -10.077 -1.897 3.066 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -8.625 -1.173 1.054 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -5.771 -0.838 5.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -5.975 -0.308 0.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -3.807 -0.075 4.327 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -3.911 0.191 1.882 1.00 0.00 H new ATOM 222 N GLU A 14 -11.957 -2.458 5.605 1.00 0.00 N ATOM 223 CA GLU A 14 -12.928 -3.500 5.913 1.00 0.00 C ATOM 224 C GLU A 14 -12.200 -4.822 6.081 1.00 0.00 C ATOM 225 O GLU A 14 -12.599 -5.678 6.869 1.00 0.00 O ATOM 226 CB GLU A 14 -13.968 -3.617 4.795 1.00 0.00 C ATOM 227 CG GLU A 14 -14.652 -2.302 4.448 1.00 0.00 C ATOM 228 CD GLU A 14 -15.319 -1.650 5.644 1.00 0.00 C ATOM 229 OE1 GLU A 14 -16.483 -1.983 5.937 1.00 0.00 O ATOM 230 OE2 GLU A 14 -14.685 -0.788 6.287 1.00 0.00 O ATOM 0 H GLU A 14 -12.017 -2.090 4.656 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.447 -3.242 6.836 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.483 -4.010 3.901 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.726 -4.342 5.092 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.916 -1.615 4.029 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -15.399 -2.480 3.674 1.00 0.00 H new ATOM 237 N LYS A 15 -11.118 -4.965 5.332 1.00 0.00 N ATOM 238 CA LYS A 15 -10.278 -6.144 5.402 1.00 0.00 C ATOM 239 C LYS A 15 -8.819 -5.717 5.484 1.00 0.00 C ATOM 240 O LYS A 15 -8.265 -5.192 4.515 1.00 0.00 O ATOM 241 CB LYS A 15 -10.505 -7.034 4.180 1.00 0.00 C ATOM 242 CG LYS A 15 -11.944 -7.496 4.023 1.00 0.00 C ATOM 243 CD LYS A 15 -12.139 -8.266 2.734 1.00 0.00 C ATOM 244 CE LYS A 15 -13.596 -8.639 2.530 1.00 0.00 C ATOM 245 NZ LYS A 15 -13.809 -9.342 1.240 1.00 0.00 N ATOM 0 H LYS A 15 -10.800 -4.266 4.660 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.536 -6.718 6.292 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.207 -6.489 3.284 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.857 -7.908 4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.220 -8.125 4.870 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.609 -6.632 4.037 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.794 -7.665 1.893 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.529 -9.169 2.751 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.926 -9.276 3.350 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.209 -7.738 2.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.824 -9.355 1.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.294 -8.846 0.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.458 -10.318 1.315 1.00 0.00 H new ATOM 259 N PRO A 16 -8.203 -5.902 6.660 1.00 0.00 N ATOM 260 CA PRO A 16 -6.802 -5.534 6.909 1.00 0.00 C ATOM 261 C PRO A 16 -5.847 -6.080 5.850 1.00 0.00 C ATOM 262 O PRO A 16 -6.083 -7.142 5.270 1.00 0.00 O ATOM 263 CB PRO A 16 -6.510 -6.174 8.266 1.00 0.00 C ATOM 264 CG PRO A 16 -7.834 -6.230 8.942 1.00 0.00 C ATOM 265 CD PRO A 16 -8.838 -6.482 7.855 1.00 0.00 C ATOM 0 HA PRO A 16 -6.658 -4.454 6.883 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.080 -7.169 8.152 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.796 -5.582 8.839 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.859 -7.024 9.689 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.047 -5.296 9.462 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.034 -7.547 7.729 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.794 -6.006 8.073 1.00 0.00 H new ATOM 273 N VAL A 17 -4.771 -5.346 5.599 1.00 0.00 N ATOM 274 CA VAL A 17 -3.805 -5.727 4.576 1.00 0.00 C ATOM 275 C VAL A 17 -2.469 -6.095 5.207 1.00 0.00 C ATOM 276 O VAL A 17 -1.941 -5.348 6.030 1.00 0.00 O ATOM 277 CB VAL A 17 -3.576 -4.588 3.558 1.00 0.00 C ATOM 278 CG1 VAL A 17 -2.665 -5.043 2.428 1.00 0.00 C ATOM 279 CG2 VAL A 17 -4.901 -4.090 3.013 1.00 0.00 C ATOM 0 H VAL A 17 -4.545 -4.482 6.091 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.219 -6.590 4.055 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.084 -3.764 4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.520 -4.223 1.725 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.701 -5.345 2.837 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.121 -5.888 1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.722 -3.288 2.297 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.421 -4.909 2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.514 -3.715 3.833 1.00 0.00 H new ATOM 289 N THR A 18 -1.939 -7.246 4.829 1.00 0.00 N ATOM 290 CA THR A 18 -0.632 -7.677 5.290 1.00 0.00 C ATOM 291 C THR A 18 0.427 -7.396 4.228 1.00 0.00 C ATOM 292 O THR A 18 0.609 -8.175 3.296 1.00 0.00 O ATOM 293 CB THR A 18 -0.641 -9.178 5.634 1.00 0.00 C ATOM 294 OG1 THR A 18 -1.455 -9.884 4.692 1.00 0.00 O ATOM 295 CG2 THR A 18 -1.172 -9.419 7.036 1.00 0.00 C ATOM 0 H THR A 18 -2.399 -7.903 4.199 1.00 0.00 H new ATOM 0 HA THR A 18 -0.390 -7.114 6.191 1.00 0.00 H new ATOM 0 HB THR A 18 0.386 -9.541 5.587 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.457 -10.839 4.913 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.166 -10.488 7.249 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.540 -8.902 7.758 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.192 -9.041 7.109 1.00 0.00 H new ATOM 303 N ILE A 19 1.136 -6.288 4.370 1.00 0.00 N ATOM 304 CA ILE A 19 2.101 -5.888 3.359 1.00 0.00 C ATOM 305 C ILE A 19 3.455 -6.514 3.658 1.00 0.00 C ATOM 306 O ILE A 19 4.151 -6.132 4.601 1.00 0.00 O ATOM 307 CB ILE A 19 2.228 -4.345 3.247 1.00 0.00 C ATOM 308 CG1 ILE A 19 3.287 -3.963 2.213 1.00 0.00 C ATOM 309 CG2 ILE A 19 2.555 -3.709 4.594 1.00 0.00 C ATOM 310 CD1 ILE A 19 3.514 -2.472 2.111 1.00 0.00 C ATOM 0 H ILE A 19 1.063 -5.655 5.167 1.00 0.00 H new ATOM 0 HA ILE A 19 1.739 -6.249 2.396 1.00 0.00 H new ATOM 0 HB ILE A 19 1.261 -3.962 2.920 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.228 -4.450 2.470 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.987 -4.345 1.237 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.636 -2.628 4.476 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.762 -3.938 5.306 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.501 -4.106 4.964 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.277 -2.271 1.359 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.584 -1.981 1.824 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.845 -2.087 3.076 1.00 0.00 H new ATOM 322 N SER A 20 3.805 -7.511 2.869 1.00 0.00 N ATOM 323 CA SER A 20 5.030 -8.247 3.080 1.00 0.00 C ATOM 324 C SER A 20 6.211 -7.448 2.549 1.00 0.00 C ATOM 325 O SER A 20 6.341 -7.230 1.346 1.00 0.00 O ATOM 326 CB SER A 20 4.938 -9.616 2.401 1.00 0.00 C ATOM 327 OG SER A 20 5.963 -10.491 2.837 1.00 0.00 O ATOM 0 H SER A 20 3.253 -7.829 2.072 1.00 0.00 H new ATOM 0 HA SER A 20 5.180 -8.407 4.148 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.966 -10.062 2.612 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.003 -9.490 1.320 1.00 0.00 H new ATOM 0 HG SER A 20 5.871 -11.355 2.383 1.00 0.00 H new ATOM 333 N LEU A 21 7.045 -6.973 3.455 1.00 0.00 N ATOM 334 CA LEU A 21 8.241 -6.253 3.068 1.00 0.00 C ATOM 335 C LEU A 21 9.379 -7.235 2.844 1.00 0.00 C ATOM 336 O LEU A 21 9.380 -8.327 3.420 1.00 0.00 O ATOM 337 CB LEU A 21 8.620 -5.236 4.146 1.00 0.00 C ATOM 338 CG LEU A 21 7.538 -4.200 4.468 1.00 0.00 C ATOM 339 CD1 LEU A 21 8.005 -3.264 5.571 1.00 0.00 C ATOM 340 CD2 LEU A 21 7.170 -3.412 3.220 1.00 0.00 C ATOM 0 H LEU A 21 6.916 -7.073 4.462 1.00 0.00 H new ATOM 0 HA LEU A 21 8.049 -5.715 2.140 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.870 -5.774 5.060 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.521 -4.711 3.829 1.00 0.00 H new ATOM 0 HG LEU A 21 6.650 -4.727 4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.223 -2.536 5.785 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.220 -3.841 6.471 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.907 -2.744 5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.400 -2.680 3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.053 -2.897 2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.793 -4.093 2.457 1.00 0.00 H new ATOM 352 N GLN A 22 10.350 -6.846 2.022 1.00 0.00 N ATOM 353 CA GLN A 22 11.489 -7.708 1.707 1.00 0.00 C ATOM 354 C GLN A 22 12.284 -8.045 2.971 1.00 0.00 C ATOM 355 O GLN A 22 13.075 -8.990 2.995 1.00 0.00 O ATOM 356 CB GLN A 22 12.398 -7.034 0.671 1.00 0.00 C ATOM 357 CG GLN A 22 13.535 -7.919 0.180 1.00 0.00 C ATOM 358 CD GLN A 22 13.039 -9.209 -0.444 1.00 0.00 C ATOM 359 OE1 GLN A 22 12.802 -9.278 -1.649 1.00 0.00 O ATOM 360 NE2 GLN A 22 12.877 -10.238 0.374 1.00 0.00 N ATOM 0 H GLN A 22 10.372 -5.937 1.560 1.00 0.00 H new ATOM 0 HA GLN A 22 11.106 -8.638 1.286 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.794 -6.728 -0.183 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.818 -6.127 1.106 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.128 -7.370 -0.551 1.00 0.00 H new ATOM 0 HG3 GLN A 22 14.195 -8.153 1.015 1.00 0.00 H new ATOM 0 HE21 GLN A 22 13.085 -10.138 1.367 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.544 -11.131 0.011 1.00 0.00 H new ATOM 369 N ASN A 23 12.046 -7.271 4.023 1.00 0.00 N ATOM 370 CA ASN A 23 12.675 -7.501 5.317 1.00 0.00 C ATOM 371 C ASN A 23 12.230 -8.845 5.897 1.00 0.00 C ATOM 372 O ASN A 23 12.892 -9.406 6.769 1.00 0.00 O ATOM 373 CB ASN A 23 12.307 -6.367 6.280 1.00 0.00 C ATOM 374 CG ASN A 23 12.623 -4.999 5.705 1.00 0.00 C ATOM 375 OD1 ASN A 23 11.795 -4.398 5.019 1.00 0.00 O ATOM 376 ND2 ASN A 23 13.819 -4.498 5.971 1.00 0.00 N ATOM 0 H ASN A 23 11.415 -6.470 4.003 1.00 0.00 H new ATOM 0 HA ASN A 23 13.757 -7.523 5.183 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.244 -6.423 6.515 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.848 -6.499 7.217 1.00 0.00 H new ATOM 0 HD21 ASN A 23 14.082 -3.584 5.604 1.00 0.00 H new ATOM 0 HD22 ASN A 23 14.478 -5.026 6.543 1.00 0.00 H new ATOM 383 N GLY A 24 11.106 -9.353 5.406 1.00 0.00 N ATOM 384 CA GLY A 24 10.640 -10.662 5.817 1.00 0.00 C ATOM 385 C GLY A 24 9.490 -10.605 6.805 1.00 0.00 C ATOM 386 O GLY A 24 9.367 -11.480 7.664 1.00 0.00 O ATOM 0 H GLY A 24 10.508 -8.880 4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.326 -11.222 4.936 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.468 -11.211 6.265 1.00 0.00 H new ATOM 390 N ALA A 25 8.642 -9.593 6.685 1.00 0.00 N ATOM 391 CA ALA A 25 7.502 -9.452 7.582 1.00 0.00 C ATOM 392 C ALA A 25 6.397 -8.618 6.943 1.00 0.00 C ATOM 393 O ALA A 25 6.637 -7.488 6.513 1.00 0.00 O ATOM 394 CB ALA A 25 7.939 -8.825 8.901 1.00 0.00 C ATOM 0 H ALA A 25 8.720 -8.861 5.979 1.00 0.00 H new ATOM 0 HA ALA A 25 7.104 -10.448 7.778 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.077 -8.726 9.560 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.688 -9.460 9.375 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.366 -7.840 8.712 1.00 0.00 H new ATOM 400 N PRO A 26 5.185 -9.181 6.825 1.00 0.00 N ATOM 401 CA PRO A 26 4.009 -8.444 6.387 1.00 0.00 C ATOM 402 C PRO A 26 3.336 -7.703 7.539 1.00 0.00 C ATOM 403 O PRO A 26 2.815 -8.322 8.471 1.00 0.00 O ATOM 404 CB PRO A 26 3.071 -9.530 5.838 1.00 0.00 C ATOM 405 CG PRO A 26 3.777 -10.834 6.038 1.00 0.00 C ATOM 406 CD PRO A 26 4.858 -10.588 7.057 1.00 0.00 C ATOM 0 HA PRO A 26 4.265 -7.680 5.653 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.116 -9.520 6.363 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.857 -9.362 4.783 1.00 0.00 H new ATOM 0 HG2 PRO A 26 3.084 -11.600 6.386 1.00 0.00 H new ATOM 0 HG3 PRO A 26 4.203 -11.192 5.100 1.00 0.00 H new ATOM 0 HD2 PRO A 26 4.506 -10.762 8.074 1.00 0.00 H new ATOM 0 HD3 PRO A 26 5.720 -11.237 6.902 1.00 0.00 H new ATOM 414 N ARG A 27 3.352 -6.381 7.480 1.00 0.00 N ATOM 415 CA ARG A 27 2.690 -5.583 8.494 1.00 0.00 C ATOM 416 C ARG A 27 1.211 -5.449 8.162 1.00 0.00 C ATOM 417 O ARG A 27 0.838 -5.289 7.001 1.00 0.00 O ATOM 418 CB ARG A 27 3.324 -4.195 8.635 1.00 0.00 C ATOM 419 CG ARG A 27 2.650 -3.370 9.718 1.00 0.00 C ATOM 420 CD ARG A 27 3.230 -1.975 9.865 1.00 0.00 C ATOM 421 NE ARG A 27 2.453 -1.205 10.834 1.00 0.00 N ATOM 422 CZ ARG A 27 2.530 0.111 11.002 1.00 0.00 C ATOM 423 NH1 ARG A 27 3.468 0.820 10.382 1.00 0.00 N ATOM 424 NH2 ARG A 27 1.685 0.709 11.832 1.00 0.00 N ATOM 0 H ARG A 27 3.813 -5.843 6.746 1.00 0.00 H new ATOM 0 HA ARG A 27 2.808 -6.096 9.449 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.384 -4.302 8.867 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.258 -3.668 7.683 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.586 -3.291 9.494 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.738 -3.894 10.670 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.269 -2.037 10.188 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.226 -1.468 8.900 1.00 0.00 H new ATOM 0 HE ARG A 27 1.801 -1.718 11.428 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.138 0.354 9.770 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.518 1.830 10.518 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.987 0.159 12.332 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.734 1.718 11.970 1.00 0.00 H new ATOM 438 N ILE A 28 0.383 -5.526 9.186 1.00 0.00 N ATOM 439 CA ILE A 28 -1.055 -5.468 9.016 1.00 0.00 C ATOM 440 C ILE A 28 -1.562 -4.050 9.243 1.00 0.00 C ATOM 441 O ILE A 28 -1.495 -3.535 10.358 1.00 0.00 O ATOM 442 CB ILE A 28 -1.758 -6.417 10.004 1.00 0.00 C ATOM 443 CG1 ILE A 28 -1.068 -7.783 10.001 1.00 0.00 C ATOM 444 CG2 ILE A 28 -3.230 -6.559 9.643 1.00 0.00 C ATOM 445 CD1 ILE A 28 -1.614 -8.747 11.032 1.00 0.00 C ATOM 0 H ILE A 28 0.687 -5.630 10.154 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.283 -5.777 7.996 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.690 -5.996 11.007 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.170 -8.228 9.011 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.002 -7.641 10.179 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.715 -7.233 10.350 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.711 -5.582 9.685 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.320 -6.964 8.635 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.075 -9.692 10.968 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.488 -8.324 12.029 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.673 -8.920 10.843 1.00 0.00 H new ATOM 457 N PHE A 29 -2.049 -3.418 8.186 1.00 0.00 N ATOM 458 CA PHE A 29 -2.613 -2.079 8.297 1.00 0.00 C ATOM 459 C PHE A 29 -4.061 -2.150 8.763 1.00 0.00 C ATOM 460 O PHE A 29 -4.798 -3.074 8.403 1.00 0.00 O ATOM 461 CB PHE A 29 -2.535 -1.333 6.961 1.00 0.00 C ATOM 462 CG PHE A 29 -1.133 -1.021 6.521 1.00 0.00 C ATOM 463 CD1 PHE A 29 -0.233 -0.430 7.393 1.00 0.00 C ATOM 464 CD2 PHE A 29 -0.721 -1.308 5.232 1.00 0.00 C ATOM 465 CE1 PHE A 29 1.054 -0.134 6.987 1.00 0.00 C ATOM 466 CE2 PHE A 29 0.565 -1.014 4.819 1.00 0.00 C ATOM 467 CZ PHE A 29 1.454 -0.426 5.699 1.00 0.00 C ATOM 0 H PHE A 29 -2.066 -3.808 7.244 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.025 -1.530 9.033 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.022 -1.932 6.192 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.096 -0.402 7.042 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.541 -0.198 8.402 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.412 -1.767 4.540 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.746 0.325 7.677 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.875 -1.243 3.810 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.460 -0.196 5.379 1.00 0.00 H new ATOM 477 N ASN A 30 -4.457 -1.184 9.575 1.00 0.00 N ATOM 478 CA ASN A 30 -5.816 -1.123 10.093 1.00 0.00 C ATOM 479 C ASN A 30 -6.651 -0.177 9.249 1.00 0.00 C ATOM 480 O ASN A 30 -7.862 -0.351 9.100 1.00 0.00 O ATOM 481 CB ASN A 30 -5.803 -0.654 11.550 1.00 0.00 C ATOM 482 CG ASN A 30 -4.925 -1.525 12.429 1.00 0.00 C ATOM 483 OD1 ASN A 30 -5.387 -2.511 13.005 1.00 0.00 O ATOM 484 ND2 ASN A 30 -3.652 -1.172 12.531 1.00 0.00 N ATOM 0 H ASN A 30 -3.853 -0.426 9.892 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.256 -2.119 10.048 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.449 0.376 11.594 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.821 -0.658 11.940 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.014 -1.725 13.103 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.310 -0.348 12.037 1.00 0.00 H new ATOM 491 N GLY A 31 -5.991 0.817 8.684 1.00 0.00 N ATOM 492 CA GLY A 31 -6.674 1.783 7.863 1.00 0.00 C ATOM 493 C GLY A 31 -5.805 2.257 6.725 1.00 0.00 C ATOM 494 O GLY A 31 -4.583 2.090 6.762 1.00 0.00 O ATOM 0 H GLY A 31 -4.987 0.971 8.781 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.588 1.342 7.465 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.972 2.635 8.474 1.00 0.00 H new ATOM 498 N VAL A 32 -6.427 2.857 5.721 1.00 0.00 N ATOM 499 CA VAL A 32 -5.706 3.336 4.549 1.00 0.00 C ATOM 500 C VAL A 32 -4.809 4.511 4.929 1.00 0.00 C ATOM 501 O VAL A 32 -3.830 4.816 4.247 1.00 0.00 O ATOM 502 CB VAL A 32 -6.679 3.764 3.431 1.00 0.00 C ATOM 503 CG1 VAL A 32 -5.937 3.944 2.118 1.00 0.00 C ATOM 504 CG2 VAL A 32 -7.804 2.750 3.274 1.00 0.00 C ATOM 0 H VAL A 32 -7.433 3.025 5.694 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.093 2.517 4.174 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.120 4.720 3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.640 4.246 1.341 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.173 4.712 2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.465 3.003 1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.477 3.073 2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.384 1.777 3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.357 2.673 4.210 1.00 0.00 H new ATOM 514 N TYR A 33 -5.149 5.149 6.041 1.00 0.00 N ATOM 515 CA TYR A 33 -4.377 6.265 6.569 1.00 0.00 C ATOM 516 C TYR A 33 -2.951 5.820 6.885 1.00 0.00 C ATOM 517 O TYR A 33 -1.987 6.510 6.553 1.00 0.00 O ATOM 518 CB TYR A 33 -5.057 6.804 7.832 1.00 0.00 C ATOM 519 CG TYR A 33 -4.508 8.125 8.331 1.00 0.00 C ATOM 520 CD1 TYR A 33 -3.430 8.173 9.210 1.00 0.00 C ATOM 521 CD2 TYR A 33 -5.084 9.327 7.937 1.00 0.00 C ATOM 522 CE1 TYR A 33 -2.941 9.380 9.675 1.00 0.00 C ATOM 523 CE2 TYR A 33 -4.603 10.536 8.401 1.00 0.00 C ATOM 524 CZ TYR A 33 -3.533 10.557 9.270 1.00 0.00 C ATOM 525 OH TYR A 33 -3.059 11.764 9.741 1.00 0.00 O ATOM 0 H TYR A 33 -5.966 4.908 6.601 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.332 7.056 5.820 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -6.122 6.921 7.633 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.960 6.063 8.625 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.968 7.252 9.534 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.922 9.316 7.256 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.100 9.400 10.352 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.063 11.460 8.084 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.587 12.495 9.357 1.00 0.00 H new ATOM 535 N GLU A 34 -2.829 4.651 7.510 1.00 0.00 N ATOM 536 CA GLU A 34 -1.524 4.103 7.865 1.00 0.00 C ATOM 537 C GLU A 34 -0.744 3.742 6.612 1.00 0.00 C ATOM 538 O GLU A 34 0.453 4.008 6.513 1.00 0.00 O ATOM 539 CB GLU A 34 -1.676 2.859 8.738 1.00 0.00 C ATOM 540 CG GLU A 34 -2.449 3.087 10.024 1.00 0.00 C ATOM 541 CD GLU A 34 -2.439 1.866 10.918 1.00 0.00 C ATOM 542 OE1 GLU A 34 -3.200 0.918 10.640 1.00 0.00 O ATOM 543 OE2 GLU A 34 -1.662 1.849 11.895 1.00 0.00 O ATOM 0 H GLU A 34 -3.619 4.065 7.781 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.982 4.866 8.425 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.177 2.083 8.160 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.684 2.481 8.986 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.018 3.932 10.561 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.479 3.353 9.785 1.00 0.00 H new ATOM 550 N ALA A 35 -1.441 3.135 5.659 1.00 0.00 N ATOM 551 CA ALA A 35 -0.834 2.715 4.407 1.00 0.00 C ATOM 552 C ALA A 35 -0.258 3.908 3.655 1.00 0.00 C ATOM 553 O ALA A 35 0.906 3.895 3.256 1.00 0.00 O ATOM 554 CB ALA A 35 -1.854 1.982 3.551 1.00 0.00 C ATOM 0 H ALA A 35 -2.436 2.922 5.733 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.013 2.034 4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.388 1.672 2.616 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.214 1.103 4.086 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.693 2.645 3.337 1.00 0.00 H new ATOM 560 N PHE A 36 -1.079 4.943 3.489 1.00 0.00 N ATOM 561 CA PHE A 36 -0.662 6.169 2.812 1.00 0.00 C ATOM 562 C PHE A 36 0.598 6.741 3.451 1.00 0.00 C ATOM 563 O PHE A 36 1.558 7.089 2.762 1.00 0.00 O ATOM 564 CB PHE A 36 -1.789 7.204 2.871 1.00 0.00 C ATOM 565 CG PHE A 36 -1.470 8.501 2.177 1.00 0.00 C ATOM 566 CD1 PHE A 36 -1.372 8.558 0.795 1.00 0.00 C ATOM 567 CD2 PHE A 36 -1.274 9.661 2.907 1.00 0.00 C ATOM 568 CE1 PHE A 36 -1.083 9.751 0.157 1.00 0.00 C ATOM 569 CE2 PHE A 36 -0.986 10.855 2.275 1.00 0.00 C ATOM 570 CZ PHE A 36 -0.891 10.901 0.898 1.00 0.00 C ATOM 0 H PHE A 36 -2.045 4.956 3.817 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.442 5.929 1.772 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.685 6.775 2.422 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.023 7.411 3.915 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.523 7.662 0.211 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.347 9.632 3.984 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.008 9.783 -0.920 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.835 11.752 2.857 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.667 11.834 0.402 1.00 0.00 H new ATOM 580 N ASP A 37 0.588 6.815 4.776 1.00 0.00 N ATOM 581 CA ASP A 37 1.701 7.380 5.522 1.00 0.00 C ATOM 582 C ASP A 37 2.954 6.517 5.388 1.00 0.00 C ATOM 583 O ASP A 37 4.042 7.029 5.133 1.00 0.00 O ATOM 584 CB ASP A 37 1.317 7.537 6.995 1.00 0.00 C ATOM 585 CG ASP A 37 2.457 8.058 7.842 1.00 0.00 C ATOM 586 OD1 ASP A 37 2.810 9.250 7.716 1.00 0.00 O ATOM 587 OD2 ASP A 37 3.010 7.276 8.642 1.00 0.00 O ATOM 0 H ASP A 37 -0.184 6.488 5.357 1.00 0.00 H new ATOM 0 HA ASP A 37 1.927 8.361 5.105 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.469 8.218 7.075 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.990 6.574 7.386 1.00 0.00 H new ATOM 592 N PHE A 38 2.796 5.204 5.535 1.00 0.00 N ATOM 593 CA PHE A 38 3.929 4.283 5.446 1.00 0.00 C ATOM 594 C PHE A 38 4.603 4.366 4.080 1.00 0.00 C ATOM 595 O PHE A 38 5.832 4.336 3.982 1.00 0.00 O ATOM 596 CB PHE A 38 3.482 2.844 5.722 1.00 0.00 C ATOM 597 CG PHE A 38 4.584 1.835 5.544 1.00 0.00 C ATOM 598 CD1 PHE A 38 5.668 1.816 6.406 1.00 0.00 C ATOM 599 CD2 PHE A 38 4.545 0.919 4.502 1.00 0.00 C ATOM 600 CE1 PHE A 38 6.690 0.902 6.237 1.00 0.00 C ATOM 601 CE2 PHE A 38 5.565 0.005 4.326 1.00 0.00 C ATOM 602 CZ PHE A 38 6.639 -0.004 5.196 1.00 0.00 C ATOM 0 H PHE A 38 1.899 4.754 5.716 1.00 0.00 H new ATOM 0 HA PHE A 38 4.653 4.579 6.205 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.100 2.779 6.741 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.657 2.593 5.055 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.715 2.524 7.220 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.707 0.921 3.821 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.528 0.896 6.918 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.524 -0.701 3.510 1.00 0.00 H new ATOM 0 HZ PHE A 38 7.437 -0.719 5.062 1.00 0.00 H new ATOM 612 N LEU A 39 3.792 4.491 3.035 1.00 0.00 N ATOM 613 CA LEU A 39 4.295 4.567 1.667 1.00 0.00 C ATOM 614 C LEU A 39 5.187 5.788 1.467 1.00 0.00 C ATOM 615 O LEU A 39 6.018 5.815 0.558 1.00 0.00 O ATOM 616 CB LEU A 39 3.137 4.621 0.676 1.00 0.00 C ATOM 617 CG LEU A 39 2.255 3.373 0.632 1.00 0.00 C ATOM 618 CD1 LEU A 39 1.074 3.598 -0.297 1.00 0.00 C ATOM 619 CD2 LEU A 39 3.063 2.165 0.185 1.00 0.00 C ATOM 0 H LEU A 39 2.776 4.542 3.110 1.00 0.00 H new ATOM 0 HA LEU A 39 4.889 3.671 1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.511 5.479 0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.542 4.795 -0.321 1.00 0.00 H new ATOM 0 HG LEU A 39 1.876 3.179 1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.453 2.702 -0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.483 4.440 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.437 3.813 -1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.419 1.286 0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.469 2.347 -0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.881 1.995 0.885 1.00 0.00 H new ATOM 631 N GLN A 40 4.994 6.795 2.307 1.00 0.00 N ATOM 632 CA GLN A 40 5.791 8.010 2.240 1.00 0.00 C ATOM 633 C GLN A 40 7.034 7.895 3.115 1.00 0.00 C ATOM 634 O GLN A 40 8.051 8.536 2.848 1.00 0.00 O ATOM 635 CB GLN A 40 4.968 9.219 2.690 1.00 0.00 C ATOM 636 CG GLN A 40 3.756 9.502 1.819 1.00 0.00 C ATOM 637 CD GLN A 40 2.935 10.664 2.338 1.00 0.00 C ATOM 638 OE1 GLN A 40 2.880 10.912 3.544 1.00 0.00 O ATOM 639 NE2 GLN A 40 2.295 11.388 1.436 1.00 0.00 N ATOM 0 H GLN A 40 4.290 6.794 3.045 1.00 0.00 H new ATOM 0 HA GLN A 40 6.098 8.147 1.203 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.636 9.058 3.715 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.610 10.100 2.698 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.084 9.717 0.802 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.130 8.611 1.770 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.366 11.150 0.447 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.730 12.185 1.729 1.00 0.00 H new ATOM 648 N HIS A 41 6.953 7.075 4.154 1.00 0.00 N ATOM 649 CA HIS A 41 8.054 6.939 5.103 1.00 0.00 C ATOM 650 C HIS A 41 9.204 6.145 4.502 1.00 0.00 C ATOM 651 O HIS A 41 10.302 6.675 4.329 1.00 0.00 O ATOM 652 CB HIS A 41 7.583 6.286 6.405 1.00 0.00 C ATOM 653 CG HIS A 41 6.828 7.214 7.303 1.00 0.00 C ATOM 654 ND1 HIS A 41 6.869 7.131 8.672 1.00 0.00 N ATOM 655 CD2 HIS A 41 5.992 8.237 7.018 1.00 0.00 C ATOM 656 CE1 HIS A 41 6.091 8.059 9.190 1.00 0.00 C ATOM 657 NE2 HIS A 41 5.543 8.748 8.207 1.00 0.00 N ATOM 0 H HIS A 41 6.140 6.495 4.362 1.00 0.00 H new ATOM 0 HA HIS A 41 8.413 7.943 5.331 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.950 5.432 6.165 1.00 0.00 H new ATOM 0 HB3 HIS A 41 8.449 5.900 6.942 1.00 0.00 H new ATOM 0 HD2 HIS A 41 5.726 8.588 6.032 1.00 0.00 H new ATOM 0 HE1 HIS A 41 5.929 8.228 10.244 1.00 0.00 H new ATOM 0 HE2 HIS A 41 4.895 9.528 8.314 1.00 0.00 H new ATOM 666 N GLU A 42 8.956 4.884 4.172 1.00 0.00 N ATOM 667 CA GLU A 42 10.003 4.041 3.612 1.00 0.00 C ATOM 668 C GLU A 42 9.435 2.835 2.869 1.00 0.00 C ATOM 669 O GLU A 42 9.387 1.722 3.394 1.00 0.00 O ATOM 670 CB GLU A 42 10.984 3.593 4.699 1.00 0.00 C ATOM 671 CG GLU A 42 10.322 2.993 5.929 1.00 0.00 C ATOM 672 CD GLU A 42 11.337 2.525 6.945 1.00 0.00 C ATOM 673 OE1 GLU A 42 11.832 3.365 7.724 1.00 0.00 O ATOM 674 OE2 GLU A 42 11.652 1.320 6.966 1.00 0.00 O ATOM 0 H GLU A 42 8.051 4.427 4.281 1.00 0.00 H new ATOM 0 HA GLU A 42 10.543 4.645 2.883 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.668 2.859 4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.585 4.449 5.005 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.666 3.734 6.386 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.694 2.153 5.630 1.00 0.00 H new ATOM 681 N TRP A 43 8.984 3.077 1.651 1.00 0.00 N ATOM 682 CA TRP A 43 8.572 2.003 0.761 1.00 0.00 C ATOM 683 C TRP A 43 9.805 1.448 0.046 1.00 0.00 C ATOM 684 O TRP A 43 10.392 2.115 -0.808 1.00 0.00 O ATOM 685 CB TRP A 43 7.524 2.527 -0.227 1.00 0.00 C ATOM 686 CG TRP A 43 7.183 1.587 -1.344 1.00 0.00 C ATOM 687 CD1 TRP A 43 7.590 1.697 -2.640 1.00 0.00 C ATOM 688 CD2 TRP A 43 6.360 0.408 -1.281 1.00 0.00 C ATOM 689 NE1 TRP A 43 7.075 0.671 -3.388 1.00 0.00 N ATOM 690 CE2 TRP A 43 6.322 -0.135 -2.580 1.00 0.00 C ATOM 691 CE3 TRP A 43 5.656 -0.247 -0.260 1.00 0.00 C ATOM 692 CZ2 TRP A 43 5.608 -1.291 -2.887 1.00 0.00 C ATOM 693 CZ3 TRP A 43 4.952 -1.393 -0.573 1.00 0.00 C ATOM 694 CH2 TRP A 43 4.934 -1.906 -1.874 1.00 0.00 C ATOM 0 H TRP A 43 8.893 4.012 1.253 1.00 0.00 H new ATOM 0 HA TRP A 43 8.113 1.192 1.326 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.612 2.760 0.323 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.886 3.462 -0.656 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.227 2.481 -3.023 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.229 0.531 -4.387 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.664 0.137 0.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.589 -1.686 -3.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 4.403 -1.904 0.204 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.375 -2.807 -2.080 1.00 0.00 H new ATOM 705 N PRO A 44 10.228 0.226 0.411 1.00 0.00 N ATOM 706 CA PRO A 44 11.495 -0.352 -0.039 1.00 0.00 C ATOM 707 C PRO A 44 11.391 -1.110 -1.361 1.00 0.00 C ATOM 708 O PRO A 44 12.099 -2.094 -1.578 1.00 0.00 O ATOM 709 CB PRO A 44 11.825 -1.312 1.101 1.00 0.00 C ATOM 710 CG PRO A 44 10.500 -1.794 1.590 1.00 0.00 C ATOM 711 CD PRO A 44 9.502 -0.694 1.308 1.00 0.00 C ATOM 0 HA PRO A 44 12.246 0.413 -0.237 1.00 0.00 H new ATOM 0 HB2 PRO A 44 12.444 -2.140 0.754 1.00 0.00 H new ATOM 0 HB3 PRO A 44 12.380 -0.809 1.893 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.213 -2.715 1.083 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.539 -2.016 2.656 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.601 -1.084 0.835 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.190 -0.194 2.225 1.00 0.00 H new ATOM 719 N ALA A 45 10.528 -0.643 -2.248 1.00 0.00 N ATOM 720 CA ALA A 45 10.377 -1.268 -3.551 1.00 0.00 C ATOM 721 C ALA A 45 10.459 -0.225 -4.656 1.00 0.00 C ATOM 722 O ALA A 45 9.601 0.651 -4.765 1.00 0.00 O ATOM 723 CB ALA A 45 9.066 -2.032 -3.633 1.00 0.00 C ATOM 0 H ALA A 45 9.924 0.163 -2.090 1.00 0.00 H new ATOM 0 HA ALA A 45 11.193 -1.978 -3.686 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.974 -2.492 -4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.048 -2.807 -2.867 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.234 -1.346 -3.474 1.00 0.00 H new ATOM 729 N ARG A 46 11.501 -0.314 -5.464 1.00 0.00 N ATOM 730 CA ARG A 46 11.687 0.616 -6.562 1.00 0.00 C ATOM 731 C ARG A 46 10.772 0.251 -7.725 1.00 0.00 C ATOM 732 O ARG A 46 10.722 -0.903 -8.147 1.00 0.00 O ATOM 733 CB ARG A 46 13.149 0.624 -7.008 1.00 0.00 C ATOM 734 CG ARG A 46 13.429 1.590 -8.145 1.00 0.00 C ATOM 735 CD ARG A 46 14.921 1.793 -8.356 1.00 0.00 C ATOM 736 NE ARG A 46 15.189 2.762 -9.418 1.00 0.00 N ATOM 737 CZ ARG A 46 14.992 4.076 -9.295 1.00 0.00 C ATOM 738 NH1 ARG A 46 14.550 4.586 -8.149 1.00 0.00 N ATOM 739 NH2 ARG A 46 15.250 4.880 -10.317 1.00 0.00 N ATOM 0 H ARG A 46 12.231 -1.021 -5.380 1.00 0.00 H new ATOM 0 HA ARG A 46 11.426 1.618 -6.221 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.779 0.884 -6.157 1.00 0.00 H new ATOM 0 HB3 ARG A 46 13.432 -0.382 -7.318 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.980 1.211 -9.063 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.958 2.549 -7.932 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.377 2.136 -7.427 1.00 0.00 H new ATOM 0 HD3 ARG A 46 15.386 0.840 -8.607 1.00 0.00 H new ATOM 0 HE ARG A 46 15.548 2.412 -10.306 1.00 0.00 H new ATOM 0 HH11 ARG A 46 14.359 3.972 -7.357 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.402 5.591 -8.062 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.598 4.494 -11.195 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.100 5.885 -10.226 1.00 0.00 H new ATOM 753 N GLY A 47 10.054 1.240 -8.235 1.00 0.00 N ATOM 754 CA GLY A 47 9.102 0.991 -9.298 1.00 0.00 C ATOM 755 C GLY A 47 8.481 2.269 -9.816 1.00 0.00 C ATOM 756 O GLY A 47 8.089 2.344 -10.981 1.00 0.00 O ATOM 0 H GLY A 47 10.113 2.212 -7.932 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.601 0.473 -10.117 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.317 0.329 -8.933 1.00 0.00 H new ATOM 760 N ASP A 48 8.386 3.265 -8.935 1.00 0.00 N ATOM 761 CA ASP A 48 7.902 4.604 -9.292 1.00 0.00 C ATOM 762 C ASP A 48 6.401 4.628 -9.548 1.00 0.00 C ATOM 763 O ASP A 48 5.639 5.094 -8.706 1.00 0.00 O ATOM 764 CB ASP A 48 8.643 5.170 -10.511 1.00 0.00 C ATOM 765 CG ASP A 48 10.037 5.655 -10.178 1.00 0.00 C ATOM 766 OD1 ASP A 48 10.935 4.813 -9.991 1.00 0.00 O ATOM 767 OD2 ASP A 48 10.238 6.889 -10.107 1.00 0.00 O ATOM 0 H ASP A 48 8.642 3.169 -7.952 1.00 0.00 H new ATOM 0 HA ASP A 48 8.110 5.237 -8.429 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.705 4.401 -11.281 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.067 5.995 -10.930 1.00 0.00 H new ATOM 772 N ARG A 49 5.976 4.100 -10.689 1.00 0.00 N ATOM 773 CA ARG A 49 4.592 4.250 -11.139 1.00 0.00 C ATOM 774 C ARG A 49 3.618 3.522 -10.215 1.00 0.00 C ATOM 775 O ARG A 49 2.575 4.067 -9.855 1.00 0.00 O ATOM 776 CB ARG A 49 4.432 3.754 -12.576 1.00 0.00 C ATOM 777 CG ARG A 49 5.432 4.371 -13.539 1.00 0.00 C ATOM 778 CD ARG A 49 5.055 4.115 -14.988 1.00 0.00 C ATOM 779 NE ARG A 49 3.964 4.978 -15.436 1.00 0.00 N ATOM 780 CZ ARG A 49 3.875 5.489 -16.664 1.00 0.00 C ATOM 781 NH1 ARG A 49 4.813 5.228 -17.569 1.00 0.00 N ATOM 782 NH2 ARG A 49 2.854 6.274 -16.977 1.00 0.00 N ATOM 0 H ARG A 49 6.568 3.563 -11.322 1.00 0.00 H new ATOM 0 HA ARG A 49 4.353 5.313 -11.107 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.543 2.670 -12.593 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.422 3.977 -12.920 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.490 5.445 -13.363 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.423 3.962 -13.344 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.927 4.276 -15.622 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.763 3.072 -15.107 1.00 0.00 H new ATOM 0 HE ARG A 49 3.226 5.203 -14.769 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.606 4.634 -17.325 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.740 5.622 -18.507 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.140 6.485 -16.279 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.782 6.667 -17.915 1.00 0.00 H new ATOM 796 N ALA A 50 3.957 2.298 -9.825 1.00 0.00 N ATOM 797 CA ALA A 50 3.121 1.541 -8.898 1.00 0.00 C ATOM 798 C ALA A 50 3.053 2.243 -7.542 1.00 0.00 C ATOM 799 O ALA A 50 2.005 2.277 -6.899 1.00 0.00 O ATOM 800 CB ALA A 50 3.639 0.120 -8.742 1.00 0.00 C ATOM 0 H ALA A 50 4.798 1.811 -10.133 1.00 0.00 H new ATOM 0 HA ALA A 50 2.113 1.491 -9.310 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.001 -0.426 -8.047 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.630 -0.379 -9.711 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.658 0.145 -8.356 1.00 0.00 H new ATOM 806 N HIS A 51 4.173 2.826 -7.131 1.00 0.00 N ATOM 807 CA HIS A 51 4.231 3.584 -5.885 1.00 0.00 C ATOM 808 C HIS A 51 3.409 4.864 -6.013 1.00 0.00 C ATOM 809 O HIS A 51 2.708 5.258 -5.083 1.00 0.00 O ATOM 810 CB HIS A 51 5.688 3.911 -5.526 1.00 0.00 C ATOM 811 CG HIS A 51 5.850 4.717 -4.269 1.00 0.00 C ATOM 812 ND1 HIS A 51 6.385 5.985 -4.254 1.00 0.00 N ATOM 813 CD2 HIS A 51 5.563 4.418 -2.979 1.00 0.00 C ATOM 814 CE1 HIS A 51 6.422 6.433 -3.013 1.00 0.00 C ATOM 815 NE2 HIS A 51 5.929 5.503 -2.218 1.00 0.00 N ATOM 0 H HIS A 51 5.055 2.789 -7.642 1.00 0.00 H new ATOM 0 HA HIS A 51 3.809 2.978 -5.083 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.241 2.978 -5.419 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.140 4.457 -6.354 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.128 3.499 -2.616 1.00 0.00 H new ATOM 0 HE1 HIS A 51 6.793 7.398 -2.701 1.00 0.00 H new ATOM 0 HE2 HIS A 51 5.835 5.577 -1.205 1.00 0.00 H new ATOM 824 N GLU A 52 3.497 5.492 -7.179 1.00 0.00 N ATOM 825 CA GLU A 52 2.740 6.701 -7.473 1.00 0.00 C ATOM 826 C GLU A 52 1.246 6.408 -7.403 1.00 0.00 C ATOM 827 O GLU A 52 0.471 7.181 -6.831 1.00 0.00 O ATOM 828 CB GLU A 52 3.101 7.210 -8.871 1.00 0.00 C ATOM 829 CG GLU A 52 2.731 8.663 -9.111 1.00 0.00 C ATOM 830 CD GLU A 52 3.604 9.612 -8.321 1.00 0.00 C ATOM 831 OE1 GLU A 52 4.673 10.005 -8.833 1.00 0.00 O ATOM 832 OE2 GLU A 52 3.231 9.968 -7.182 1.00 0.00 O ATOM 0 H GLU A 52 4.093 5.178 -7.945 1.00 0.00 H new ATOM 0 HA GLU A 52 2.989 7.465 -6.736 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.173 7.088 -9.026 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.599 6.590 -9.614 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.821 8.888 -10.174 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.687 8.820 -8.839 1.00 0.00 H new ATOM 839 N GLN A 53 0.854 5.282 -7.993 1.00 0.00 N ATOM 840 CA GLN A 53 -0.532 4.834 -7.968 1.00 0.00 C ATOM 841 C GLN A 53 -0.979 4.573 -6.536 1.00 0.00 C ATOM 842 O GLN A 53 -2.051 5.012 -6.125 1.00 0.00 O ATOM 843 CB GLN A 53 -0.698 3.560 -8.807 1.00 0.00 C ATOM 844 CG GLN A 53 -2.117 3.006 -8.806 1.00 0.00 C ATOM 845 CD GLN A 53 -2.244 1.691 -9.556 1.00 0.00 C ATOM 846 OE1 GLN A 53 -3.075 0.847 -9.217 1.00 0.00 O ATOM 847 NE2 GLN A 53 -1.432 1.508 -10.586 1.00 0.00 N ATOM 0 H GLN A 53 1.485 4.659 -8.498 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.155 5.620 -8.395 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.401 3.771 -9.834 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.019 2.796 -8.429 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.444 2.863 -7.776 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.787 3.739 -9.254 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.756 2.230 -10.837 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.482 0.645 -11.128 1.00 0.00 H new ATOM 856 N ALA A 54 -0.135 3.873 -5.782 1.00 0.00 N ATOM 857 CA ALA A 54 -0.440 3.515 -4.400 1.00 0.00 C ATOM 858 C ALA A 54 -0.784 4.745 -3.564 1.00 0.00 C ATOM 859 O ALA A 54 -1.759 4.736 -2.814 1.00 0.00 O ATOM 860 CB ALA A 54 0.730 2.761 -3.783 1.00 0.00 C ATOM 0 H ALA A 54 0.772 3.540 -6.109 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.317 2.867 -4.407 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.491 2.499 -2.752 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.919 1.852 -4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.619 3.391 -3.801 1.00 0.00 H new ATOM 866 N LEU A 55 0.012 5.803 -3.705 1.00 0.00 N ATOM 867 CA LEU A 55 -0.237 7.047 -2.975 1.00 0.00 C ATOM 868 C LEU A 55 -1.575 7.656 -3.375 1.00 0.00 C ATOM 869 O LEU A 55 -2.355 8.079 -2.521 1.00 0.00 O ATOM 870 CB LEU A 55 0.891 8.060 -3.209 1.00 0.00 C ATOM 871 CG LEU A 55 2.065 7.978 -2.225 1.00 0.00 C ATOM 872 CD1 LEU A 55 2.690 6.595 -2.233 1.00 0.00 C ATOM 873 CD2 LEU A 55 3.112 9.028 -2.557 1.00 0.00 C ATOM 0 H LEU A 55 0.830 5.826 -4.314 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.269 6.803 -1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.276 7.922 -4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.470 9.064 -3.162 1.00 0.00 H new ATOM 0 HG LEU A 55 1.677 8.171 -1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.519 6.566 -1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.942 5.856 -1.945 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.058 6.368 -3.234 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.937 8.955 -1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.485 8.863 -3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.665 10.020 -2.493 1.00 0.00 H new ATOM 885 N ARG A 56 -1.841 7.684 -4.676 1.00 0.00 N ATOM 886 CA ARG A 56 -3.097 8.220 -5.192 1.00 0.00 C ATOM 887 C ARG A 56 -4.285 7.424 -4.655 1.00 0.00 C ATOM 888 O ARG A 56 -5.265 7.999 -4.181 1.00 0.00 O ATOM 889 CB ARG A 56 -3.083 8.214 -6.726 1.00 0.00 C ATOM 890 CG ARG A 56 -4.458 8.353 -7.362 1.00 0.00 C ATOM 891 CD ARG A 56 -4.371 8.564 -8.865 1.00 0.00 C ATOM 892 NE ARG A 56 -3.382 7.688 -9.497 1.00 0.00 N ATOM 893 CZ ARG A 56 -3.677 6.593 -10.197 1.00 0.00 C ATOM 894 NH1 ARG A 56 -4.934 6.183 -10.318 1.00 0.00 N ATOM 895 NH2 ARG A 56 -2.696 5.912 -10.775 1.00 0.00 N ATOM 0 H ARG A 56 -1.203 7.341 -5.394 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.203 9.250 -4.852 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.449 9.029 -7.076 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.628 7.286 -7.071 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.045 7.459 -7.155 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.984 9.192 -6.908 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.349 8.384 -9.311 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.114 9.604 -9.069 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.397 7.933 -9.394 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.687 6.708 -9.873 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.147 5.343 -10.856 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.731 6.228 -10.680 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.907 5.072 -11.314 1.00 0.00 H new ATOM 909 N LEU A 57 -4.171 6.100 -4.708 1.00 0.00 N ATOM 910 CA LEU A 57 -5.222 5.208 -4.225 1.00 0.00 C ATOM 911 C LEU A 57 -5.523 5.471 -2.755 1.00 0.00 C ATOM 912 O LEU A 57 -6.679 5.639 -2.363 1.00 0.00 O ATOM 913 CB LEU A 57 -4.794 3.748 -4.395 1.00 0.00 C ATOM 914 CG LEU A 57 -4.528 3.302 -5.831 1.00 0.00 C ATOM 915 CD1 LEU A 57 -3.873 1.933 -5.837 1.00 0.00 C ATOM 916 CD2 LEU A 57 -5.821 3.279 -6.633 1.00 0.00 C ATOM 0 H LEU A 57 -3.355 5.618 -5.084 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.121 5.399 -4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.890 3.582 -3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.570 3.109 -3.973 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.851 4.017 -6.299 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.687 1.623 -6.865 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.928 1.979 -5.296 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.533 1.212 -5.354 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.611 2.959 -7.653 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.523 2.584 -6.172 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.257 4.278 -6.649 1.00 0.00 H new ATOM 928 N CYS A 58 -4.472 5.520 -1.951 1.00 0.00 N ATOM 929 CA CYS A 58 -4.618 5.693 -0.518 1.00 0.00 C ATOM 930 C CYS A 58 -5.197 7.064 -0.178 1.00 0.00 C ATOM 931 O CYS A 58 -6.044 7.183 0.708 1.00 0.00 O ATOM 932 CB CYS A 58 -3.273 5.494 0.174 1.00 0.00 C ATOM 933 SG CYS A 58 -2.538 3.867 -0.108 1.00 0.00 S ATOM 0 H CYS A 58 -3.506 5.442 -2.270 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.318 4.940 -0.156 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.580 6.260 -0.173 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.401 5.643 1.246 1.00 0.00 H new ATOM 0 HG CYS A 58 -1.995 3.835 -1.289 1.00 0.00 H new ATOM 939 N ARG A 59 -4.757 8.096 -0.894 1.00 0.00 N ATOM 940 CA ARG A 59 -5.259 9.444 -0.653 1.00 0.00 C ATOM 941 C ARG A 59 -6.723 9.545 -1.069 1.00 0.00 C ATOM 942 O ARG A 59 -7.531 10.164 -0.381 1.00 0.00 O ATOM 943 CB ARG A 59 -4.431 10.485 -1.407 1.00 0.00 C ATOM 944 CG ARG A 59 -4.674 11.904 -0.921 1.00 0.00 C ATOM 945 CD ARG A 59 -3.978 12.930 -1.798 1.00 0.00 C ATOM 946 NE ARG A 59 -3.969 14.256 -1.185 1.00 0.00 N ATOM 947 CZ ARG A 59 -4.864 15.210 -1.432 1.00 0.00 C ATOM 948 NH1 ARG A 59 -5.882 14.982 -2.258 1.00 0.00 N ATOM 949 NH2 ARG A 59 -4.741 16.392 -0.840 1.00 0.00 N ATOM 0 H ARG A 59 -4.062 8.026 -1.637 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.174 9.647 0.415 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.373 10.246 -1.299 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.665 10.426 -2.470 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.745 12.105 -0.908 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.319 12.002 0.105 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.953 12.611 -1.987 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.479 12.981 -2.765 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.224 14.466 -0.521 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.981 14.071 -2.707 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.564 15.718 -2.442 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.965 16.564 -0.201 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.423 17.128 -1.024 1.00 0.00 H new ATOM 963 N ALA A 60 -7.062 8.916 -2.191 1.00 0.00 N ATOM 964 CA ALA A 60 -8.432 8.918 -2.686 1.00 0.00 C ATOM 965 C ALA A 60 -9.351 8.167 -1.730 1.00 0.00 C ATOM 966 O ALA A 60 -10.526 8.499 -1.596 1.00 0.00 O ATOM 967 CB ALA A 60 -8.499 8.311 -4.078 1.00 0.00 C ATOM 0 H ALA A 60 -6.404 8.398 -2.774 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.772 9.952 -2.745 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.530 8.322 -4.430 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.877 8.892 -4.759 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.138 7.283 -4.045 1.00 0.00 H new ATOM 973 N SER A 61 -8.807 7.159 -1.065 1.00 0.00 N ATOM 974 CA SER A 61 -9.553 6.420 -0.059 1.00 0.00 C ATOM 975 C SER A 61 -9.837 7.312 1.147 1.00 0.00 C ATOM 976 O SER A 61 -10.919 7.261 1.728 1.00 0.00 O ATOM 977 CB SER A 61 -8.777 5.177 0.368 1.00 0.00 C ATOM 978 OG SER A 61 -8.467 4.363 -0.752 1.00 0.00 O ATOM 0 H SER A 61 -7.850 6.834 -1.204 1.00 0.00 H new ATOM 0 HA SER A 61 -10.503 6.104 -0.489 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.857 5.473 0.873 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.365 4.605 1.086 1.00 0.00 H new ATOM 0 HG SER A 61 -7.901 4.865 -1.375 1.00 0.00 H new ATOM 984 N LEU A 62 -8.863 8.149 1.502 1.00 0.00 N ATOM 985 CA LEU A 62 -9.031 9.115 2.584 1.00 0.00 C ATOM 986 C LEU A 62 -10.089 10.146 2.204 1.00 0.00 C ATOM 987 O LEU A 62 -10.770 10.705 3.060 1.00 0.00 O ATOM 988 CB LEU A 62 -7.701 9.816 2.889 1.00 0.00 C ATOM 989 CG LEU A 62 -6.579 8.908 3.395 1.00 0.00 C ATOM 990 CD1 LEU A 62 -5.276 9.683 3.507 1.00 0.00 C ATOM 991 CD2 LEU A 62 -6.948 8.298 4.737 1.00 0.00 C ATOM 0 H LEU A 62 -7.947 8.177 1.054 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.357 8.583 3.478 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.359 10.317 1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.881 10.591 3.634 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.442 8.101 2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.489 9.021 3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.000 10.074 2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.404 10.510 4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.137 7.655 5.080 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.114 9.093 5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.858 7.708 4.630 1.00 0.00 H new ATOM 1003 N MET A 63 -10.216 10.383 0.901 1.00 0.00 N ATOM 1004 CA MET A 63 -11.218 11.301 0.371 1.00 0.00 C ATOM 1005 C MET A 63 -12.576 10.612 0.262 1.00 0.00 C ATOM 1006 O MET A 63 -13.550 11.206 -0.203 1.00 0.00 O ATOM 1007 CB MET A 63 -10.786 11.816 -1.006 1.00 0.00 C ATOM 1008 CG MET A 63 -9.481 12.599 -0.993 1.00 0.00 C ATOM 1009 SD MET A 63 -8.887 13.000 -2.649 1.00 0.00 S ATOM 1010 CE MET A 63 -10.222 14.030 -3.254 1.00 0.00 C ATOM 0 H MET A 63 -9.631 9.947 0.188 1.00 0.00 H new ATOM 0 HA MET A 63 -11.308 12.143 1.057 1.00 0.00 H new ATOM 0 HB2 MET A 63 -10.682 10.968 -1.683 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.575 12.451 -1.409 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.622 13.521 -0.430 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.720 12.019 -0.470 1.00 0.00 H new ATOM 0 HE1 MET A 63 -9.898 14.554 -4.153 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.085 13.407 -3.488 1.00 0.00 H new ATOM 0 HE3 MET A 63 -10.496 14.757 -2.489 1.00 0.00 H new ATOM 1020 N GLY A 64 -12.624 9.348 0.672 1.00 0.00 N ATOM 1021 CA GLY A 64 -13.861 8.592 0.645 1.00 0.00 C ATOM 1022 C GLY A 64 -14.263 8.180 -0.758 1.00 0.00 C ATOM 1023 O GLY A 64 -15.392 7.746 -0.982 1.00 0.00 O ATOM 0 H GLY A 64 -11.819 8.831 1.026 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.752 7.701 1.264 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.658 9.191 1.086 1.00 0.00 H new ATOM 1027 N ASP A 65 -13.334 8.299 -1.696 1.00 0.00 N ATOM 1028 CA ASP A 65 -13.622 8.018 -3.097 1.00 0.00 C ATOM 1029 C ASP A 65 -13.451 6.530 -3.388 1.00 0.00 C ATOM 1030 O ASP A 65 -14.276 5.915 -4.066 1.00 0.00 O ATOM 1031 CB ASP A 65 -12.695 8.842 -3.994 1.00 0.00 C ATOM 1032 CG ASP A 65 -13.153 8.876 -5.436 1.00 0.00 C ATOM 1033 OD1 ASP A 65 -12.903 7.905 -6.175 1.00 0.00 O ATOM 1034 OD2 ASP A 65 -13.761 9.889 -5.845 1.00 0.00 O ATOM 0 H ASP A 65 -12.373 8.588 -1.513 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.656 8.294 -3.305 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.638 9.861 -3.611 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.688 8.427 -3.947 1.00 0.00 H new ATOM 1039 N VAL A 66 -12.377 5.959 -2.865 1.00 0.00 N ATOM 1040 CA VAL A 66 -12.108 4.537 -3.024 1.00 0.00 C ATOM 1041 C VAL A 66 -12.510 3.783 -1.758 1.00 0.00 C ATOM 1042 O VAL A 66 -11.944 3.997 -0.687 1.00 0.00 O ATOM 1043 CB VAL A 66 -10.621 4.278 -3.332 1.00 0.00 C ATOM 1044 CG1 VAL A 66 -10.363 2.796 -3.532 1.00 0.00 C ATOM 1045 CG2 VAL A 66 -10.178 5.066 -4.557 1.00 0.00 C ATOM 0 H VAL A 66 -11.673 6.461 -2.324 1.00 0.00 H new ATOM 0 HA VAL A 66 -12.699 4.177 -3.867 1.00 0.00 H new ATOM 0 HB VAL A 66 -10.035 4.616 -2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.307 2.637 -3.748 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -10.634 2.254 -2.626 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -10.963 2.431 -4.366 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.125 4.868 -4.756 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -10.773 4.764 -5.419 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -10.319 6.131 -4.375 1.00 0.00 H new ATOM 1055 N ALA A 67 -13.498 2.910 -1.886 1.00 0.00 N ATOM 1056 CA ALA A 67 -14.044 2.203 -0.740 1.00 0.00 C ATOM 1057 C ALA A 67 -13.315 0.893 -0.456 1.00 0.00 C ATOM 1058 O ALA A 67 -13.664 -0.152 -0.999 1.00 0.00 O ATOM 1059 CB ALA A 67 -15.527 1.939 -0.943 1.00 0.00 C ATOM 0 H ALA A 67 -13.938 2.675 -2.775 1.00 0.00 H new ATOM 0 HA ALA A 67 -13.900 2.846 0.128 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -15.924 1.409 -0.077 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -16.053 2.887 -1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -15.669 1.332 -1.837 1.00 0.00 H new ATOM 1065 N GLY A 68 -12.276 0.977 0.364 1.00 0.00 N ATOM 1066 CA GLY A 68 -11.671 -0.206 0.954 1.00 0.00 C ATOM 1067 C GLY A 68 -11.035 -1.172 -0.035 1.00 0.00 C ATOM 1068 O GLY A 68 -9.860 -1.030 -0.382 1.00 0.00 O ATOM 0 H GLY A 68 -11.835 1.856 0.635 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.910 0.112 1.667 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.434 -0.741 1.520 1.00 0.00 H new ATOM 1072 N GLU A 69 -11.810 -2.159 -0.479 1.00 0.00 N ATOM 1073 CA GLU A 69 -11.270 -3.298 -1.220 1.00 0.00 C ATOM 1074 C GLU A 69 -10.733 -2.917 -2.593 1.00 0.00 C ATOM 1075 O GLU A 69 -9.820 -3.571 -3.099 1.00 0.00 O ATOM 1076 CB GLU A 69 -12.315 -4.403 -1.355 1.00 0.00 C ATOM 1077 CG GLU A 69 -12.581 -5.140 -0.053 1.00 0.00 C ATOM 1078 CD GLU A 69 -13.371 -6.414 -0.252 1.00 0.00 C ATOM 1079 OE1 GLU A 69 -12.752 -7.468 -0.516 1.00 0.00 O ATOM 1080 OE2 GLU A 69 -14.611 -6.379 -0.135 1.00 0.00 O ATOM 0 H GLU A 69 -12.820 -2.193 -0.338 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.425 -3.666 -0.638 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.248 -3.970 -1.716 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.983 -5.118 -2.108 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.631 -5.378 0.425 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.124 -4.483 0.627 1.00 0.00 H new ATOM 1087 N ILE A 70 -11.290 -1.877 -3.198 1.00 0.00 N ATOM 1088 CA ILE A 70 -10.765 -1.386 -4.468 1.00 0.00 C ATOM 1089 C ILE A 70 -9.294 -1.005 -4.304 1.00 0.00 C ATOM 1090 O ILE A 70 -8.434 -1.434 -5.078 1.00 0.00 O ATOM 1091 CB ILE A 70 -11.562 -0.169 -4.987 1.00 0.00 C ATOM 1092 CG1 ILE A 70 -13.041 -0.528 -5.129 1.00 0.00 C ATOM 1093 CG2 ILE A 70 -10.998 0.312 -6.319 1.00 0.00 C ATOM 1094 CD1 ILE A 70 -13.900 0.618 -5.619 1.00 0.00 C ATOM 0 H ILE A 70 -12.094 -1.362 -2.838 1.00 0.00 H new ATOM 0 HA ILE A 70 -10.864 -2.187 -5.201 1.00 0.00 H new ATOM 0 HB ILE A 70 -11.469 0.642 -4.264 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -13.138 -1.365 -5.821 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -13.418 -0.867 -4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.572 1.170 -6.669 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -9.955 0.602 -6.189 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -11.063 -0.491 -7.053 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -14.936 0.289 -5.695 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -13.834 1.449 -4.916 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -13.549 0.943 -6.599 1.00 0.00 H new ATOM 1106 N ALA A 71 -9.011 -0.232 -3.261 1.00 0.00 N ATOM 1107 CA ALA A 71 -7.645 0.166 -2.948 1.00 0.00 C ATOM 1108 C ALA A 71 -6.838 -1.033 -2.476 1.00 0.00 C ATOM 1109 O ALA A 71 -5.663 -1.162 -2.797 1.00 0.00 O ATOM 1110 CB ALA A 71 -7.633 1.260 -1.890 1.00 0.00 C ATOM 0 H ALA A 71 -9.713 0.132 -2.617 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.187 0.560 -3.855 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.603 1.543 -1.671 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.177 2.129 -2.259 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.110 0.893 -0.981 1.00 0.00 H new ATOM 1116 N ARG A 72 -7.490 -1.914 -1.725 1.00 0.00 N ATOM 1117 CA ARG A 72 -6.840 -3.107 -1.192 1.00 0.00 C ATOM 1118 C ARG A 72 -6.249 -3.952 -2.315 1.00 0.00 C ATOM 1119 O ARG A 72 -5.062 -4.268 -2.309 1.00 0.00 O ATOM 1120 CB ARG A 72 -7.840 -3.951 -0.396 1.00 0.00 C ATOM 1121 CG ARG A 72 -7.188 -5.066 0.400 1.00 0.00 C ATOM 1122 CD ARG A 72 -8.217 -5.985 1.040 1.00 0.00 C ATOM 1123 NE ARG A 72 -7.644 -6.753 2.144 1.00 0.00 N ATOM 1124 CZ ARG A 72 -7.466 -8.075 2.135 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -7.805 -8.798 1.075 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -6.942 -8.678 3.193 1.00 0.00 N ATOM 0 H ARG A 72 -8.474 -1.824 -1.470 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.035 -2.781 -0.533 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.391 -3.302 0.285 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.568 -4.383 -1.083 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.540 -5.648 -0.255 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.554 -4.635 1.175 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.056 -5.393 1.406 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.612 -6.668 0.288 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.360 -6.242 2.980 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.207 -8.343 0.255 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.664 -9.808 1.080 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.676 -8.131 4.012 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.805 -9.689 3.188 1.00 0.00 H new ATOM 1140 N THR A 73 -7.085 -4.296 -3.283 1.00 0.00 N ATOM 1141 CA THR A 73 -6.675 -5.153 -4.383 1.00 0.00 C ATOM 1142 C THR A 73 -5.581 -4.491 -5.224 1.00 0.00 C ATOM 1143 O THR A 73 -4.625 -5.144 -5.648 1.00 0.00 O ATOM 1144 CB THR A 73 -7.878 -5.499 -5.277 1.00 0.00 C ATOM 1145 OG1 THR A 73 -8.982 -5.918 -4.459 1.00 0.00 O ATOM 1146 CG2 THR A 73 -7.526 -6.607 -6.259 1.00 0.00 C ATOM 0 H THR A 73 -8.058 -3.992 -3.328 1.00 0.00 H new ATOM 0 HA THR A 73 -6.273 -6.070 -3.953 1.00 0.00 H new ATOM 0 HB THR A 73 -8.152 -4.609 -5.843 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.415 -5.132 -4.066 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.394 -6.833 -6.879 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.701 -6.283 -6.893 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.231 -7.501 -5.709 1.00 0.00 H new ATOM 1154 N ALA A 74 -5.715 -3.189 -5.446 1.00 0.00 N ATOM 1155 CA ALA A 74 -4.724 -2.451 -6.217 1.00 0.00 C ATOM 1156 C ALA A 74 -3.409 -2.333 -5.449 1.00 0.00 C ATOM 1157 O ALA A 74 -2.329 -2.353 -6.041 1.00 0.00 O ATOM 1158 CB ALA A 74 -5.260 -1.079 -6.588 1.00 0.00 C ATOM 0 H ALA A 74 -6.495 -2.626 -5.106 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.523 -3.003 -7.135 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.509 -0.538 -7.164 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.164 -1.191 -7.186 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.492 -0.521 -5.681 1.00 0.00 H new ATOM 1164 N PHE A 75 -3.511 -2.233 -4.129 1.00 0.00 N ATOM 1165 CA PHE A 75 -2.343 -2.152 -3.264 1.00 0.00 C ATOM 1166 C PHE A 75 -1.568 -3.466 -3.300 1.00 0.00 C ATOM 1167 O PHE A 75 -0.337 -3.472 -3.285 1.00 0.00 O ATOM 1168 CB PHE A 75 -2.771 -1.821 -1.830 1.00 0.00 C ATOM 1169 CG PHE A 75 -1.628 -1.530 -0.899 1.00 0.00 C ATOM 1170 CD1 PHE A 75 -0.972 -0.312 -0.951 1.00 0.00 C ATOM 1171 CD2 PHE A 75 -1.214 -2.473 0.028 1.00 0.00 C ATOM 1172 CE1 PHE A 75 0.078 -0.040 -0.095 1.00 0.00 C ATOM 1173 CE2 PHE A 75 -0.165 -2.207 0.886 1.00 0.00 C ATOM 1174 CZ PHE A 75 0.482 -0.988 0.824 1.00 0.00 C ATOM 0 H PHE A 75 -4.401 -2.206 -3.631 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.691 -1.356 -3.625 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.437 -0.958 -1.851 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.346 -2.657 -1.432 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.284 0.433 -1.668 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.717 -3.427 0.080 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.582 0.914 -0.145 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.149 -2.950 1.604 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.303 -0.777 1.493 1.00 0.00 H new ATOM 1184 N VAL A 76 -2.295 -4.576 -3.363 1.00 0.00 N ATOM 1185 CA VAL A 76 -1.676 -5.894 -3.465 1.00 0.00 C ATOM 1186 C VAL A 76 -0.886 -6.010 -4.767 1.00 0.00 C ATOM 1187 O VAL A 76 0.227 -6.535 -4.786 1.00 0.00 O ATOM 1188 CB VAL A 76 -2.729 -7.024 -3.395 1.00 0.00 C ATOM 1189 CG1 VAL A 76 -2.077 -8.392 -3.554 1.00 0.00 C ATOM 1190 CG2 VAL A 76 -3.496 -6.957 -2.084 1.00 0.00 C ATOM 0 H VAL A 76 -3.315 -4.590 -3.345 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.000 -6.005 -2.617 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.428 -6.882 -4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.841 -9.168 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.573 -8.445 -4.519 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.350 -8.543 -2.756 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.233 -7.760 -2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.802 -7.068 -1.251 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.004 -5.995 -2.008 1.00 0.00 H new ATOM 1200 N ALA A 77 -1.457 -5.486 -5.849 1.00 0.00 N ATOM 1201 CA ALA A 77 -0.792 -5.491 -7.147 1.00 0.00 C ATOM 1202 C ALA A 77 0.492 -4.668 -7.102 1.00 0.00 C ATOM 1203 O ALA A 77 1.497 -5.025 -7.721 1.00 0.00 O ATOM 1204 CB ALA A 77 -1.726 -4.956 -8.222 1.00 0.00 C ATOM 0 H ALA A 77 -2.380 -5.052 -5.851 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.529 -6.520 -7.392 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.216 -4.966 -9.185 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.616 -5.584 -8.276 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.017 -3.935 -7.976 1.00 0.00 H new ATOM 1210 N ALA A 78 0.454 -3.571 -6.356 1.00 0.00 N ATOM 1211 CA ALA A 78 1.630 -2.729 -6.170 1.00 0.00 C ATOM 1212 C ALA A 78 2.654 -3.434 -5.287 1.00 0.00 C ATOM 1213 O ALA A 78 3.857 -3.355 -5.528 1.00 0.00 O ATOM 1214 CB ALA A 78 1.234 -1.388 -5.569 1.00 0.00 C ATOM 0 H ALA A 78 -0.380 -3.243 -5.869 1.00 0.00 H new ATOM 0 HA ALA A 78 2.085 -2.547 -7.144 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.123 -0.772 -5.437 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.538 -0.881 -6.237 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.757 -1.549 -4.602 1.00 0.00 H new ATOM 1220 N SER A 79 2.163 -4.147 -4.281 1.00 0.00 N ATOM 1221 CA SER A 79 3.023 -4.896 -3.373 1.00 0.00 C ATOM 1222 C SER A 79 3.725 -6.037 -4.110 1.00 0.00 C ATOM 1223 O SER A 79 4.768 -6.527 -3.673 1.00 0.00 O ATOM 1224 CB SER A 79 2.204 -5.451 -2.204 1.00 0.00 C ATOM 1225 OG SER A 79 1.521 -4.414 -1.516 1.00 0.00 O ATOM 0 H SER A 79 1.167 -4.222 -4.073 1.00 0.00 H new ATOM 0 HA SER A 79 3.782 -4.218 -2.983 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.484 -6.180 -2.575 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.863 -5.977 -1.513 1.00 0.00 H new ATOM 0 HG SER A 79 0.794 -4.073 -2.077 1.00 0.00 H new ATOM 1231 N ARG A 80 3.161 -6.447 -5.244 1.00 0.00 N ATOM 1232 CA ARG A 80 3.752 -7.509 -6.045 1.00 0.00 C ATOM 1233 C ARG A 80 5.070 -7.045 -6.656 1.00 0.00 C ATOM 1234 O ARG A 80 5.928 -7.859 -6.999 1.00 0.00 O ATOM 1235 CB ARG A 80 2.795 -7.960 -7.152 1.00 0.00 C ATOM 1236 CG ARG A 80 3.233 -9.245 -7.839 1.00 0.00 C ATOM 1237 CD ARG A 80 2.304 -9.620 -8.979 1.00 0.00 C ATOM 1238 NE ARG A 80 2.603 -10.951 -9.509 1.00 0.00 N ATOM 1239 CZ ARG A 80 2.409 -11.318 -10.779 1.00 0.00 C ATOM 1240 NH1 ARG A 80 1.967 -10.437 -11.675 1.00 0.00 N ATOM 1241 NH2 ARG A 80 2.670 -12.564 -11.153 1.00 0.00 N ATOM 0 H ARG A 80 2.298 -6.059 -5.626 1.00 0.00 H new ATOM 0 HA ARG A 80 3.943 -8.357 -5.387 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.801 -8.103 -6.728 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.712 -7.168 -7.896 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.247 -9.126 -8.221 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.260 -10.055 -7.111 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.271 -9.591 -8.631 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.392 -8.883 -9.777 1.00 0.00 H new ATOM 0 HE ARG A 80 2.985 -11.645 -8.866 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.775 -9.476 -11.393 1.00 0.00 H new ATOM 0 HH12 ARG A 80 1.821 -10.724 -12.643 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.018 -13.239 -10.472 1.00 0.00 H new ATOM 0 HH22 ARG A 80 2.523 -12.847 -12.122 1.00 0.00 H new ATOM 1255 N GLN A 81 5.234 -5.730 -6.776 1.00 0.00 N ATOM 1256 CA GLN A 81 6.454 -5.165 -7.339 1.00 0.00 C ATOM 1257 C GLN A 81 7.602 -5.336 -6.348 1.00 0.00 C ATOM 1258 O GLN A 81 8.767 -5.411 -6.731 1.00 0.00 O ATOM 1259 CB GLN A 81 6.258 -3.688 -7.686 1.00 0.00 C ATOM 1260 CG GLN A 81 7.200 -3.187 -8.771 1.00 0.00 C ATOM 1261 CD GLN A 81 6.943 -1.738 -9.141 1.00 0.00 C ATOM 1262 OE1 GLN A 81 6.571 -0.923 -8.296 1.00 0.00 O ATOM 1263 NE2 GLN A 81 7.117 -1.411 -10.412 1.00 0.00 N ATOM 0 H GLN A 81 4.539 -5.039 -6.492 1.00 0.00 H new ATOM 0 HA GLN A 81 6.696 -5.695 -8.260 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.229 -3.533 -8.010 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.402 -3.090 -6.786 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.230 -3.294 -8.431 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.091 -3.810 -9.659 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.426 -2.115 -11.082 1.00 0.00 H new ATOM 0 HE22 GLN A 81 6.942 -0.455 -10.721 1.00 0.00 H new ATOM 1272 N ALA A 82 7.252 -5.428 -5.067 1.00 0.00 N ATOM 1273 CA ALA A 82 8.228 -5.691 -4.015 1.00 0.00 C ATOM 1274 C ALA A 82 8.590 -7.172 -3.992 1.00 0.00 C ATOM 1275 O ALA A 82 9.497 -7.593 -3.275 1.00 0.00 O ATOM 1276 CB ALA A 82 7.687 -5.258 -2.660 1.00 0.00 C ATOM 0 H ALA A 82 6.294 -5.323 -4.732 1.00 0.00 H new ATOM 0 HA ALA A 82 9.127 -5.112 -4.226 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.430 -5.463 -1.889 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.469 -4.190 -2.680 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.774 -5.811 -2.439 1.00 0.00 H new ATOM 1282 N HIS A 83 7.850 -7.952 -4.783 1.00 0.00 N ATOM 1283 CA HIS A 83 8.079 -9.391 -4.939 1.00 0.00 C ATOM 1284 C HIS A 83 7.788 -10.136 -3.644 1.00 0.00 C ATOM 1285 O HIS A 83 8.231 -11.268 -3.450 1.00 0.00 O ATOM 1286 CB HIS A 83 9.513 -9.673 -5.411 1.00 0.00 C ATOM 1287 CG HIS A 83 9.854 -8.982 -6.695 1.00 0.00 C ATOM 1288 ND1 HIS A 83 9.098 -9.110 -7.838 1.00 0.00 N ATOM 1289 CD2 HIS A 83 10.860 -8.130 -7.006 1.00 0.00 C ATOM 1290 CE1 HIS A 83 9.619 -8.366 -8.793 1.00 0.00 C ATOM 1291 NE2 HIS A 83 10.688 -7.761 -8.318 1.00 0.00 N ATOM 0 H HIS A 83 7.069 -7.601 -5.337 1.00 0.00 H new ATOM 0 HA HIS A 83 7.391 -9.754 -5.702 1.00 0.00 H new ATOM 0 HB2 HIS A 83 10.213 -9.356 -4.638 1.00 0.00 H new ATOM 0 HB3 HIS A 83 9.643 -10.748 -5.538 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.650 -7.802 -6.346 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.234 -8.269 -9.797 1.00 0.00 H new ATOM 0 HE2 HIS A 83 11.290 -7.123 -8.839 1.00 0.00 H new ATOM 1300 N CYS A 84 7.014 -9.504 -2.776 1.00 0.00 N ATOM 1301 CA CYS A 84 6.653 -10.087 -1.499 1.00 0.00 C ATOM 1302 C CYS A 84 5.168 -9.865 -1.245 1.00 0.00 C ATOM 1303 O CYS A 84 4.763 -8.870 -0.648 1.00 0.00 O ATOM 1304 CB CYS A 84 7.489 -9.476 -0.368 1.00 0.00 C ATOM 1305 SG CYS A 84 9.277 -9.555 -0.631 1.00 0.00 S ATOM 0 H CYS A 84 6.621 -8.577 -2.938 1.00 0.00 H new ATOM 0 HA CYS A 84 6.858 -11.157 -1.525 1.00 0.00 H new ATOM 0 HB2 CYS A 84 7.199 -8.433 -0.241 1.00 0.00 H new ATOM 0 HB3 CYS A 84 7.248 -9.989 0.563 1.00 0.00 H new ATOM 0 HG CYS A 84 9.601 -8.798 -1.637 1.00 0.00 H new ATOM 1311 N LEU A 85 4.356 -10.773 -1.758 1.00 0.00 N ATOM 1312 CA LEU A 85 2.913 -10.697 -1.576 1.00 0.00 C ATOM 1313 C LEU A 85 2.521 -11.181 -0.187 1.00 0.00 C ATOM 1314 O LEU A 85 3.338 -11.775 0.525 1.00 0.00 O ATOM 1315 CB LEU A 85 2.180 -11.535 -2.634 1.00 0.00 C ATOM 1316 CG LEU A 85 2.129 -10.947 -4.050 1.00 0.00 C ATOM 1317 CD1 LEU A 85 1.552 -9.543 -4.022 1.00 0.00 C ATOM 1318 CD2 LEU A 85 3.505 -10.950 -4.699 1.00 0.00 C ATOM 0 H LEU A 85 4.670 -11.574 -2.305 1.00 0.00 H new ATOM 0 HA LEU A 85 2.621 -9.653 -1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.657 -12.513 -2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.157 -11.697 -2.294 1.00 0.00 H new ATOM 0 HG LEU A 85 1.476 -11.579 -4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.523 -9.141 -5.035 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.541 -9.573 -3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.177 -8.905 -3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.435 -10.527 -5.701 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.191 -10.352 -4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.875 -11.973 -4.762 1.00 0.00 H new ATOM 1330 N MET A 86 1.274 -10.904 0.191 1.00 0.00 N ATOM 1331 CA MET A 86 0.703 -11.407 1.438 1.00 0.00 C ATOM 1332 C MET A 86 0.973 -12.898 1.594 1.00 0.00 C ATOM 1333 O MET A 86 0.798 -13.672 0.652 1.00 0.00 O ATOM 1334 CB MET A 86 -0.807 -11.162 1.475 1.00 0.00 C ATOM 1335 CG MET A 86 -1.184 -9.695 1.508 1.00 0.00 C ATOM 1336 SD MET A 86 -2.970 -9.429 1.526 1.00 0.00 S ATOM 1337 CE MET A 86 -3.451 -10.239 0.002 1.00 0.00 C ATOM 0 H MET A 86 0.634 -10.328 -0.356 1.00 0.00 H new ATOM 0 HA MET A 86 1.177 -10.870 2.260 1.00 0.00 H new ATOM 0 HB2 MET A 86 -1.263 -11.626 0.601 1.00 0.00 H new ATOM 0 HB3 MET A 86 -1.225 -11.656 2.352 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.744 -9.232 2.391 1.00 0.00 H new ATOM 0 HG3 MET A 86 -0.756 -9.195 0.639 1.00 0.00 H new ATOM 0 HE1 MET A 86 -4.411 -9.846 -0.331 1.00 0.00 H new ATOM 0 HE2 MET A 86 -2.697 -10.052 -0.763 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.537 -11.312 0.172 1.00 0.00 H new