USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 731 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 48 SER OG : rot 179:sc= 0.853 USER MOD Set 1.2: A 51 GLN : amide:sc= -6.65! C(o=-5.8!,f=-9.2!) USER MOD Set 2.1: A 24 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.187 X(o=-0.19,f=-0.58) USER MOD Single : A 17 SER OG : rot -81:sc= 0.0625 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -1.03 X(o=-1,f=-0.73) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -64:sc= 0.777 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.478 K(o=-0.48,f=-1.5) USER MOD Single : A 39 SER OG : rot -120:sc= -0.591 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -3.28! C(o=-3.3!,f=-5.5!) USER MOD Single : A 65 TYR OH : rot -95:sc= -4.81! USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.321 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.769! USER MOD Single : A 81 SER OG : rot 180:sc= 0.039 USER MOD Single : A 84 SER OG : rot -110:sc= -2.09! USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc=-0.00595 X(o=-0.0059,f=-0.29) USER MOD Single : A 92 HIS : no HD1:sc= -0.323 X(o=-0.32,f=-0.32) USER MOD Single : A 93 HIS : no HE2:sc= -2.48 K(o=-2.5,f=-3.5) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 40:sc= 0.125 USER MOD Single : A 105 HIS : no HD1:sc= -1.28 X(o=-1.3,f=-1.3) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N LYS A 15 -7.427 -1.883 -9.717 1.00 0.00 N ATOM 171 CA LYS A 15 -8.469 -1.358 -10.592 1.00 0.00 C ATOM 172 C LYS A 15 -8.885 0.044 -10.164 1.00 0.00 C ATOM 173 O LYS A 15 -8.873 0.978 -10.966 1.00 0.00 O ATOM 174 CB LYS A 15 -9.686 -2.288 -10.584 1.00 0.00 C ATOM 175 CG LYS A 15 -9.456 -3.596 -11.321 1.00 0.00 C ATOM 176 CD LYS A 15 -10.767 -4.310 -11.608 1.00 0.00 C ATOM 177 CE LYS A 15 -10.553 -5.802 -11.822 1.00 0.00 C ATOM 178 NZ LYS A 15 -11.822 -6.499 -12.169 1.00 0.00 N ATOM 0 HA LYS A 15 -8.066 -1.304 -11.603 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.960 -2.506 -9.552 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.532 -1.770 -11.036 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.934 -3.400 -12.258 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.811 -4.242 -10.726 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.456 -4.155 -10.778 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.232 -3.877 -12.494 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.825 -5.954 -12.619 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.132 -6.242 -10.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.635 -7.513 -12.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.508 -6.375 -11.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.211 -6.096 -13.046 1.00 0.00 H new ATOM 192 N HIS A 16 -9.250 0.186 -8.894 1.00 0.00 N ATOM 193 CA HIS A 16 -9.668 1.477 -8.357 1.00 0.00 C ATOM 194 C HIS A 16 -8.502 2.462 -8.345 1.00 0.00 C ATOM 195 O HIS A 16 -7.338 2.063 -8.348 1.00 0.00 O ATOM 196 CB HIS A 16 -10.225 1.311 -6.944 1.00 0.00 C ATOM 197 CG HIS A 16 -11.336 0.311 -6.852 1.00 0.00 C ATOM 198 ND1 HIS A 16 -12.652 0.621 -7.120 1.00 0.00 N ATOM 199 CD2 HIS A 16 -11.320 -1.002 -6.521 1.00 0.00 C ATOM 200 CE1 HIS A 16 -13.398 -0.457 -6.956 1.00 0.00 C ATOM 201 NE2 HIS A 16 -12.615 -1.456 -6.593 1.00 0.00 N ATOM 0 H HIS A 16 -9.265 -0.577 -8.217 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.451 1.875 -9.002 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -9.418 1.007 -6.277 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -10.586 2.276 -6.589 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.451 -1.584 -6.251 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -14.468 -0.512 -7.095 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -12.921 -2.409 -6.398 1.00 0.00 H new ATOM 210 N SER A 17 -8.824 3.752 -8.330 1.00 0.00 N ATOM 211 CA SER A 17 -7.805 4.795 -8.324 1.00 0.00 C ATOM 212 C SER A 17 -7.234 4.985 -6.922 1.00 0.00 C ATOM 213 O SER A 17 -6.021 5.091 -6.743 1.00 0.00 O ATOM 214 CB SER A 17 -8.389 6.113 -8.832 1.00 0.00 C ATOM 215 OG SER A 17 -7.365 7.060 -9.088 1.00 0.00 O ATOM 0 H SER A 17 -9.783 4.100 -8.322 1.00 0.00 H new ATOM 0 HA SER A 17 -6.999 4.485 -8.989 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.959 5.934 -9.743 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.084 6.515 -8.095 1.00 0.00 H new ATOM 0 HG SER A 17 -7.100 7.491 -8.248 1.00 0.00 H new ATOM 221 N TRP A 18 -8.118 5.028 -5.931 1.00 0.00 N ATOM 222 CA TRP A 18 -7.703 5.206 -4.544 1.00 0.00 C ATOM 223 C TRP A 18 -6.914 3.997 -4.051 1.00 0.00 C ATOM 224 O TRP A 18 -5.949 4.138 -3.302 1.00 0.00 O ATOM 225 CB TRP A 18 -8.923 5.432 -3.650 1.00 0.00 C ATOM 226 CG TRP A 18 -10.135 4.671 -4.096 1.00 0.00 C ATOM 227 CD1 TRP A 18 -11.058 5.070 -5.021 1.00 0.00 C ATOM 228 CD2 TRP A 18 -10.556 3.383 -3.634 1.00 0.00 C ATOM 229 NE1 TRP A 18 -12.027 4.106 -5.162 1.00 0.00 N ATOM 230 CE2 TRP A 18 -11.742 3.062 -4.323 1.00 0.00 C ATOM 231 CE3 TRP A 18 -10.046 2.469 -2.709 1.00 0.00 C ATOM 232 CZ2 TRP A 18 -12.424 1.866 -4.112 1.00 0.00 C ATOM 233 CZ3 TRP A 18 -10.724 1.284 -2.500 1.00 0.00 C ATOM 234 CH2 TRP A 18 -11.901 0.990 -3.200 1.00 0.00 C ATOM 0 H TRP A 18 -9.126 4.942 -6.062 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.057 6.083 -4.495 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -8.675 5.141 -2.629 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.158 6.496 -3.630 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -11.030 6.005 -5.561 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -12.829 4.159 -5.790 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.137 2.685 -2.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -13.333 1.638 -4.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.340 0.572 -1.785 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.406 0.053 -3.016 1.00 0.00 H new ATOM 245 N TYR A 19 -7.331 2.811 -4.479 1.00 0.00 N ATOM 246 CA TYR A 19 -6.665 1.577 -4.080 1.00 0.00 C ATOM 247 C TYR A 19 -5.291 1.463 -4.733 1.00 0.00 C ATOM 248 O TYR A 19 -5.177 1.138 -5.915 1.00 0.00 O ATOM 249 CB TYR A 19 -7.521 0.366 -4.454 1.00 0.00 C ATOM 250 CG TYR A 19 -7.040 -0.929 -3.839 1.00 0.00 C ATOM 251 CD1 TYR A 19 -7.470 -1.325 -2.579 1.00 0.00 C ATOM 252 CD2 TYR A 19 -6.156 -1.758 -4.519 1.00 0.00 C ATOM 253 CE1 TYR A 19 -7.033 -2.507 -2.014 1.00 0.00 C ATOM 254 CE2 TYR A 19 -5.714 -2.942 -3.962 1.00 0.00 C ATOM 255 CZ TYR A 19 -6.156 -3.313 -2.709 1.00 0.00 C ATOM 256 OH TYR A 19 -5.718 -4.491 -2.149 1.00 0.00 O ATOM 0 H TYR A 19 -8.127 2.678 -5.102 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.533 1.600 -2.998 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.549 0.548 -4.140 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.533 0.261 -5.539 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -8.158 -0.698 -2.032 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.808 -1.471 -5.501 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.376 -2.799 -1.033 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.026 -3.574 -4.504 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.106 -4.940 -2.769 1.00 0.00 H new ATOM 266 N HIS A 20 -4.248 1.736 -3.954 1.00 0.00 N ATOM 267 CA HIS A 20 -2.881 1.664 -4.455 1.00 0.00 C ATOM 268 C HIS A 20 -2.159 0.442 -3.893 1.00 0.00 C ATOM 269 O HIS A 20 -0.987 0.514 -3.529 1.00 0.00 O ATOM 270 CB HIS A 20 -2.115 2.936 -4.090 1.00 0.00 C ATOM 271 CG HIS A 20 -2.214 4.013 -5.125 1.00 0.00 C ATOM 272 ND1 HIS A 20 -1.143 4.421 -5.893 1.00 0.00 N ATOM 273 CD2 HIS A 20 -3.267 4.766 -5.521 1.00 0.00 C ATOM 274 CE1 HIS A 20 -1.534 5.381 -6.713 1.00 0.00 C ATOM 275 NE2 HIS A 20 -2.818 5.608 -6.507 1.00 0.00 N ATOM 0 H HIS A 20 -4.324 2.009 -2.974 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.922 1.572 -5.540 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.493 3.319 -3.142 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.065 2.686 -3.937 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -4.274 4.714 -5.133 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.909 5.893 -7.430 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -3.385 6.298 -7.001 1.00 0.00 H new ATOM 284 N GLY A 21 -2.871 -0.679 -3.822 1.00 0.00 N ATOM 285 CA GLY A 21 -2.283 -1.899 -3.302 1.00 0.00 C ATOM 286 C GLY A 21 -1.463 -1.661 -2.050 1.00 0.00 C ATOM 287 O GLY A 21 -1.659 -0.680 -1.331 1.00 0.00 O ATOM 0 H GLY A 21 -3.844 -0.763 -4.115 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.075 -2.615 -3.083 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.650 -2.348 -4.067 1.00 0.00 H new ATOM 291 N PRO A 22 -0.520 -2.572 -1.772 1.00 0.00 N ATOM 292 CA PRO A 22 0.351 -2.479 -0.596 1.00 0.00 C ATOM 293 C PRO A 22 1.352 -1.334 -0.708 1.00 0.00 C ATOM 294 O PRO A 22 2.154 -1.285 -1.640 1.00 0.00 O ATOM 295 CB PRO A 22 1.077 -3.826 -0.584 1.00 0.00 C ATOM 296 CG PRO A 22 1.057 -4.280 -2.004 1.00 0.00 C ATOM 297 CD PRO A 22 -0.232 -3.766 -2.584 1.00 0.00 C ATOM 0 HA PRO A 22 -0.213 -2.277 0.315 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.098 -3.722 -0.216 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.574 -4.541 0.067 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.915 -3.889 -2.551 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.108 -5.367 -2.067 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.127 -3.518 -3.640 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.030 -4.505 -2.508 1.00 0.00 H new ATOM 305 N VAL A 23 1.302 -0.415 0.251 1.00 0.00 N ATOM 306 CA VAL A 23 2.207 0.729 0.261 1.00 0.00 C ATOM 307 C VAL A 23 2.759 0.980 1.660 1.00 0.00 C ATOM 308 O VAL A 23 2.012 1.013 2.637 1.00 0.00 O ATOM 309 CB VAL A 23 1.503 2.005 -0.237 1.00 0.00 C ATOM 310 CG1 VAL A 23 2.431 3.205 -0.126 1.00 0.00 C ATOM 311 CG2 VAL A 23 1.022 1.824 -1.669 1.00 0.00 C ATOM 0 H VAL A 23 0.645 -0.440 1.031 1.00 0.00 H new ATOM 0 HA VAL A 23 3.029 0.489 -0.414 1.00 0.00 H new ATOM 0 HB VAL A 23 0.633 2.189 0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.916 4.097 -0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.721 3.345 0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.321 3.034 -0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.527 2.735 -2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.874 1.615 -2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.320 0.992 -1.714 1.00 0.00 H new ATOM 321 N SER A 24 4.073 1.156 1.747 1.00 0.00 N ATOM 322 CA SER A 24 4.729 1.401 3.027 1.00 0.00 C ATOM 323 C SER A 24 4.197 2.677 3.675 1.00 0.00 C ATOM 324 O SER A 24 3.775 3.606 2.986 1.00 0.00 O ATOM 325 CB SER A 24 6.243 1.506 2.837 1.00 0.00 C ATOM 326 OG SER A 24 6.900 1.702 4.078 1.00 0.00 O ATOM 0 H SER A 24 4.705 1.134 0.947 1.00 0.00 H new ATOM 0 HA SER A 24 4.510 0.561 3.686 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.617 0.598 2.363 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.472 2.334 2.166 1.00 0.00 H new ATOM 0 HG SER A 24 7.867 1.764 3.930 1.00 0.00 H new ATOM 332 N ARG A 25 4.221 2.712 5.002 1.00 0.00 N ATOM 333 CA ARG A 25 3.740 3.872 5.744 1.00 0.00 C ATOM 334 C ARG A 25 4.380 5.156 5.221 1.00 0.00 C ATOM 335 O ARG A 25 3.702 6.011 4.650 1.00 0.00 O ATOM 336 CB ARG A 25 4.041 3.711 7.236 1.00 0.00 C ATOM 337 CG ARG A 25 3.446 4.812 8.099 1.00 0.00 C ATOM 338 CD ARG A 25 4.068 4.829 9.486 1.00 0.00 C ATOM 339 NE ARG A 25 3.979 6.147 10.110 1.00 0.00 N ATOM 340 CZ ARG A 25 2.905 6.581 10.759 1.00 0.00 C ATOM 341 NH1 ARG A 25 1.835 5.806 10.871 1.00 0.00 N ATOM 342 NH2 ARG A 25 2.901 7.792 11.301 1.00 0.00 N ATOM 0 H ARG A 25 4.568 1.951 5.586 1.00 0.00 H new ATOM 0 HA ARG A 25 2.661 3.940 5.603 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.657 2.748 7.574 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.121 3.692 7.380 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.601 5.777 7.617 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.369 4.668 8.184 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.567 4.095 10.117 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.114 4.530 9.418 1.00 0.00 H new ATOM 0 HE ARG A 25 4.786 6.768 10.043 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.835 4.873 10.458 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.012 6.142 11.370 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.723 8.390 11.219 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.076 8.125 11.799 1.00 0.00 H new ATOM 356 N SER A 26 5.688 5.281 5.418 1.00 0.00 N ATOM 357 CA SER A 26 6.419 6.461 4.970 1.00 0.00 C ATOM 358 C SER A 26 6.003 6.853 3.556 1.00 0.00 C ATOM 359 O SER A 26 5.842 8.033 3.248 1.00 0.00 O ATOM 360 CB SER A 26 7.926 6.203 5.018 1.00 0.00 C ATOM 361 OG SER A 26 8.287 5.133 4.163 1.00 0.00 O ATOM 0 H SER A 26 6.264 4.580 5.885 1.00 0.00 H new ATOM 0 HA SER A 26 6.178 7.284 5.642 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.462 7.105 4.723 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.227 5.973 6.040 1.00 0.00 H new ATOM 0 HG SER A 26 9.255 4.989 4.210 1.00 0.00 H new ATOM 367 N ALA A 27 5.831 5.852 2.698 1.00 0.00 N ATOM 368 CA ALA A 27 5.433 6.090 1.316 1.00 0.00 C ATOM 369 C ALA A 27 4.106 6.841 1.249 1.00 0.00 C ATOM 370 O ALA A 27 4.024 7.921 0.667 1.00 0.00 O ATOM 371 CB ALA A 27 5.335 4.773 0.561 1.00 0.00 C ATOM 0 H ALA A 27 5.961 4.869 2.936 1.00 0.00 H new ATOM 0 HA ALA A 27 6.196 6.710 0.845 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.037 4.966 -0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.304 4.275 0.571 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.593 4.134 1.040 1.00 0.00 H new ATOM 377 N ALA A 28 3.073 6.259 1.847 1.00 0.00 N ATOM 378 CA ALA A 28 1.751 6.874 1.855 1.00 0.00 C ATOM 379 C ALA A 28 1.840 8.363 2.167 1.00 0.00 C ATOM 380 O ALA A 28 1.407 9.200 1.375 1.00 0.00 O ATOM 381 CB ALA A 28 0.851 6.175 2.863 1.00 0.00 C ATOM 0 H ALA A 28 3.125 5.363 2.332 1.00 0.00 H new ATOM 0 HA ALA A 28 1.320 6.763 0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.133 6.644 2.859 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.753 5.123 2.595 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.288 6.256 3.858 1.00 0.00 H new ATOM 387 N GLU A 29 2.404 8.688 3.326 1.00 0.00 N ATOM 388 CA GLU A 29 2.548 10.079 3.742 1.00 0.00 C ATOM 389 C GLU A 29 3.102 10.932 2.606 1.00 0.00 C ATOM 390 O GLU A 29 2.494 11.925 2.206 1.00 0.00 O ATOM 391 CB GLU A 29 3.466 10.177 4.962 1.00 0.00 C ATOM 392 CG GLU A 29 2.787 9.799 6.268 1.00 0.00 C ATOM 393 CD GLU A 29 3.758 9.244 7.292 1.00 0.00 C ATOM 394 OE1 GLU A 29 4.017 8.022 7.263 1.00 0.00 O ATOM 395 OE2 GLU A 29 4.256 10.030 8.123 1.00 0.00 O ATOM 0 H GLU A 29 2.768 8.008 3.993 1.00 0.00 H new ATOM 0 HA GLU A 29 1.560 10.456 4.008 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.329 9.528 4.810 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.844 11.196 5.041 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.291 10.677 6.682 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.012 9.059 6.069 1.00 0.00 H new ATOM 403 N TYR A 30 4.261 10.538 2.089 1.00 0.00 N ATOM 404 CA TYR A 30 4.901 11.267 1.000 1.00 0.00 C ATOM 405 C TYR A 30 3.959 11.400 -0.193 1.00 0.00 C ATOM 406 O TYR A 30 3.859 12.463 -0.806 1.00 0.00 O ATOM 407 CB TYR A 30 6.189 10.562 0.573 1.00 0.00 C ATOM 408 CG TYR A 30 6.799 11.128 -0.689 1.00 0.00 C ATOM 409 CD1 TYR A 30 7.465 12.348 -0.676 1.00 0.00 C ATOM 410 CD2 TYR A 30 6.711 10.443 -1.895 1.00 0.00 C ATOM 411 CE1 TYR A 30 8.023 12.870 -1.827 1.00 0.00 C ATOM 412 CE2 TYR A 30 7.268 10.957 -3.050 1.00 0.00 C ATOM 413 CZ TYR A 30 7.923 12.170 -3.011 1.00 0.00 C ATOM 414 OH TYR A 30 8.478 12.686 -4.160 1.00 0.00 O ATOM 0 H TYR A 30 4.777 9.717 2.407 1.00 0.00 H new ATOM 0 HA TYR A 30 5.146 12.266 1.360 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.917 10.632 1.381 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.981 9.503 0.422 1.00 0.00 H new ATOM 0 HD1 TYR A 30 7.548 12.897 0.250 1.00 0.00 H new ATOM 0 HD2 TYR A 30 6.199 9.493 -1.930 1.00 0.00 H new ATOM 0 HE1 TYR A 30 8.535 13.821 -1.800 1.00 0.00 H new ATOM 0 HE2 TYR A 30 7.191 10.412 -3.979 1.00 0.00 H new ATOM 0 HH TYR A 30 8.320 12.069 -4.905 1.00 0.00 H new ATOM 424 N LEU A 31 3.271 10.311 -0.519 1.00 0.00 N ATOM 425 CA LEU A 31 2.337 10.304 -1.638 1.00 0.00 C ATOM 426 C LEU A 31 1.234 11.337 -1.434 1.00 0.00 C ATOM 427 O LEU A 31 0.753 11.944 -2.393 1.00 0.00 O ATOM 428 CB LEU A 31 1.722 8.912 -1.805 1.00 0.00 C ATOM 429 CG LEU A 31 1.188 8.578 -3.198 1.00 0.00 C ATOM 430 CD1 LEU A 31 -0.166 9.234 -3.422 1.00 0.00 C ATOM 431 CD2 LEU A 31 2.177 9.015 -4.269 1.00 0.00 C ATOM 0 H LEU A 31 3.343 9.422 -0.024 1.00 0.00 H new ATOM 0 HA LEU A 31 2.889 10.563 -2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.474 8.170 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.905 8.809 -1.090 1.00 0.00 H new ATOM 0 HG LEU A 31 1.062 7.498 -3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.530 8.985 -4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.874 8.872 -2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.066 10.316 -3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.779 8.769 -5.254 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.336 10.091 -4.200 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.125 8.498 -4.121 1.00 0.00 H new ATOM 443 N LEU A 32 0.839 11.535 -0.182 1.00 0.00 N ATOM 444 CA LEU A 32 -0.205 12.499 0.148 1.00 0.00 C ATOM 445 C LEU A 32 0.293 13.928 -0.041 1.00 0.00 C ATOM 446 O LEU A 32 -0.407 14.770 -0.603 1.00 0.00 O ATOM 447 CB LEU A 32 -0.674 12.297 1.590 1.00 0.00 C ATOM 448 CG LEU A 32 -1.552 11.071 1.846 1.00 0.00 C ATOM 449 CD1 LEU A 32 -1.704 10.824 3.340 1.00 0.00 C ATOM 450 CD2 LEU A 32 -2.914 11.243 1.191 1.00 0.00 C ATOM 0 H LEU A 32 1.226 11.041 0.622 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.044 12.335 -0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.205 12.229 2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.226 13.185 1.899 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.065 10.202 1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.332 9.948 3.502 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.722 10.654 3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.167 11.693 3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.525 10.361 1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.407 12.123 1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.787 11.368 0.116 1.00 0.00 H new ATOM 462 N SER A 33 1.506 14.193 0.430 1.00 0.00 N ATOM 463 CA SER A 33 2.098 15.522 0.313 1.00 0.00 C ATOM 464 C SER A 33 2.141 15.971 -1.143 1.00 0.00 C ATOM 465 O SER A 33 2.116 17.168 -1.437 1.00 0.00 O ATOM 466 CB SER A 33 3.510 15.528 0.903 1.00 0.00 C ATOM 467 OG SER A 33 4.475 15.194 -0.081 1.00 0.00 O ATOM 0 H SER A 33 2.099 13.506 0.896 1.00 0.00 H new ATOM 0 HA SER A 33 1.475 16.221 0.872 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.731 16.513 1.315 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.566 14.818 1.728 1.00 0.00 H new ATOM 0 HG SER A 33 4.322 14.277 -0.391 1.00 0.00 H new ATOM 473 N SER A 34 2.204 15.005 -2.053 1.00 0.00 N ATOM 474 CA SER A 34 2.254 15.300 -3.481 1.00 0.00 C ATOM 475 C SER A 34 0.848 15.428 -4.059 1.00 0.00 C ATOM 476 O SER A 34 0.599 15.056 -5.206 1.00 0.00 O ATOM 477 CB SER A 34 3.025 14.206 -4.222 1.00 0.00 C ATOM 478 OG SER A 34 4.424 14.403 -4.109 1.00 0.00 O ATOM 0 H SER A 34 2.222 14.010 -1.827 1.00 0.00 H new ATOM 0 HA SER A 34 2.770 16.251 -3.613 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.758 13.230 -3.817 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.739 14.203 -5.274 1.00 0.00 H new ATOM 0 HG SER A 34 4.895 13.690 -4.589 1.00 0.00 H new ATOM 484 N LEU A 35 -0.068 15.956 -3.256 1.00 0.00 N ATOM 485 CA LEU A 35 -1.451 16.135 -3.686 1.00 0.00 C ATOM 486 C LEU A 35 -2.083 17.343 -3.001 1.00 0.00 C ATOM 487 O LEU A 35 -1.548 17.864 -2.022 1.00 0.00 O ATOM 488 CB LEU A 35 -2.266 14.876 -3.380 1.00 0.00 C ATOM 489 CG LEU A 35 -1.765 13.582 -4.018 1.00 0.00 C ATOM 490 CD1 LEU A 35 -2.332 12.373 -3.290 1.00 0.00 C ATOM 491 CD2 LEU A 35 -2.131 13.536 -5.494 1.00 0.00 C ATOM 0 H LEU A 35 0.121 16.268 -2.303 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.452 16.310 -4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.292 14.738 -2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.293 15.044 -3.705 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.679 13.556 -3.933 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.964 11.460 -3.759 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.018 12.397 -2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.421 12.394 -3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.765 12.607 -5.931 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.214 13.586 -5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.676 14.382 -6.008 1.00 0.00 H new ATOM 503 N ILE A 36 -3.225 17.780 -3.521 1.00 0.00 N ATOM 504 CA ILE A 36 -3.931 18.924 -2.958 1.00 0.00 C ATOM 505 C ILE A 36 -4.153 18.750 -1.460 1.00 0.00 C ATOM 506 O ILE A 36 -3.801 17.720 -0.885 1.00 0.00 O ATOM 507 CB ILE A 36 -5.291 19.141 -3.645 1.00 0.00 C ATOM 508 CG1 ILE A 36 -6.219 17.955 -3.372 1.00 0.00 C ATOM 509 CG2 ILE A 36 -5.103 19.337 -5.142 1.00 0.00 C ATOM 510 CD1 ILE A 36 -7.666 18.228 -3.717 1.00 0.00 C ATOM 0 H ILE A 36 -3.681 17.359 -4.331 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.303 19.798 -3.131 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.749 20.041 -3.234 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.874 17.094 -3.945 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.150 17.685 -2.318 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.074 19.489 -5.614 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.473 20.209 -5.319 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.627 18.454 -5.568 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.265 17.344 -3.498 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.029 19.068 -3.125 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.748 18.468 -4.777 1.00 0.00 H new ATOM 522 N ASN A 37 -4.742 19.763 -0.833 1.00 0.00 N ATOM 523 CA ASN A 37 -5.013 19.721 0.600 1.00 0.00 C ATOM 524 C ASN A 37 -6.337 19.018 0.883 1.00 0.00 C ATOM 525 O ASN A 37 -7.139 19.483 1.691 1.00 0.00 O ATOM 526 CB ASN A 37 -5.044 21.138 1.176 1.00 0.00 C ATOM 527 CG ASN A 37 -4.008 22.045 0.536 1.00 0.00 C ATOM 528 OD1 ASN A 37 -2.981 21.579 0.043 1.00 0.00 O ATOM 529 ND2 ASN A 37 -4.275 23.345 0.546 1.00 0.00 N ATOM 0 H ASN A 37 -5.041 20.622 -1.294 1.00 0.00 H new ATOM 0 HA ASN A 37 -4.212 19.158 1.079 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.036 21.565 1.031 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.870 21.094 2.251 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.615 24.004 0.133 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.140 23.685 0.966 1.00 0.00 H new ATOM 536 N GLY A 38 -6.558 17.891 0.211 1.00 0.00 N ATOM 537 CA GLY A 38 -7.784 17.141 0.403 1.00 0.00 C ATOM 538 C GLY A 38 -7.823 15.870 -0.421 1.00 0.00 C ATOM 539 O GLY A 38 -8.790 15.617 -1.139 1.00 0.00 O ATOM 0 H GLY A 38 -5.909 17.485 -0.463 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.890 16.889 1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.635 17.768 0.138 1.00 0.00 H new ATOM 543 N SER A 39 -6.767 15.069 -0.320 1.00 0.00 N ATOM 544 CA SER A 39 -6.681 13.821 -1.067 1.00 0.00 C ATOM 545 C SER A 39 -6.630 12.623 -0.122 1.00 0.00 C ATOM 546 O SER A 39 -6.102 12.715 0.985 1.00 0.00 O ATOM 547 CB SER A 39 -5.445 13.824 -1.969 1.00 0.00 C ATOM 548 OG SER A 39 -5.478 14.913 -2.875 1.00 0.00 O ATOM 0 H SER A 39 -5.959 15.263 0.272 1.00 0.00 H new ATOM 0 HA SER A 39 -7.574 13.737 -1.686 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.545 13.883 -1.357 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.393 12.887 -2.523 1.00 0.00 H new ATOM 0 HG SER A 39 -5.467 14.574 -3.794 1.00 0.00 H new ATOM 554 N PHE A 40 -7.186 11.501 -0.567 1.00 0.00 N ATOM 555 CA PHE A 40 -7.204 10.285 0.238 1.00 0.00 C ATOM 556 C PHE A 40 -6.640 9.104 -0.546 1.00 0.00 C ATOM 557 O PHE A 40 -6.774 9.035 -1.769 1.00 0.00 O ATOM 558 CB PHE A 40 -8.633 9.974 0.695 1.00 0.00 C ATOM 559 CG PHE A 40 -9.452 9.266 -0.345 1.00 0.00 C ATOM 560 CD1 PHE A 40 -9.422 7.885 -0.448 1.00 0.00 C ATOM 561 CD2 PHE A 40 -10.254 9.981 -1.220 1.00 0.00 C ATOM 562 CE1 PHE A 40 -10.176 7.229 -1.404 1.00 0.00 C ATOM 563 CE2 PHE A 40 -11.011 9.332 -2.178 1.00 0.00 C ATOM 564 CZ PHE A 40 -10.971 7.953 -2.270 1.00 0.00 C ATOM 0 H PHE A 40 -7.630 11.409 -1.481 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.576 10.448 1.114 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.593 9.360 1.595 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.130 10.905 0.966 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -8.802 7.313 0.227 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -10.288 11.058 -1.153 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -10.143 6.152 -1.473 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -11.632 9.901 -2.853 1.00 0.00 H new ATOM 0 HZ PHE A 40 -11.560 7.443 -3.018 1.00 0.00 H new ATOM 574 N LEU A 41 -6.010 8.177 0.166 1.00 0.00 N ATOM 575 CA LEU A 41 -5.423 6.997 -0.462 1.00 0.00 C ATOM 576 C LEU A 41 -5.563 5.774 0.440 1.00 0.00 C ATOM 577 O LEU A 41 -5.637 5.898 1.663 1.00 0.00 O ATOM 578 CB LEU A 41 -3.947 7.245 -0.779 1.00 0.00 C ATOM 579 CG LEU A 41 -2.960 6.957 0.352 1.00 0.00 C ATOM 580 CD1 LEU A 41 -2.615 5.476 0.394 1.00 0.00 C ATOM 581 CD2 LEU A 41 -1.700 7.795 0.186 1.00 0.00 C ATOM 0 H LEU A 41 -5.892 8.219 1.178 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.960 6.804 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.673 6.633 -1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.831 8.286 -1.079 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.430 7.227 1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.911 5.289 1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.523 4.896 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.164 5.181 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.008 7.577 1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.227 7.556 -0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.962 8.853 0.205 1.00 0.00 H new ATOM 593 N VAL A 42 -5.594 4.595 -0.172 1.00 0.00 N ATOM 594 CA VAL A 42 -5.722 3.350 0.575 1.00 0.00 C ATOM 595 C VAL A 42 -4.503 2.458 0.366 1.00 0.00 C ATOM 596 O VAL A 42 -4.107 2.186 -0.767 1.00 0.00 O ATOM 597 CB VAL A 42 -6.988 2.576 0.164 1.00 0.00 C ATOM 598 CG1 VAL A 42 -7.082 1.262 0.926 1.00 0.00 C ATOM 599 CG2 VAL A 42 -8.230 3.425 0.394 1.00 0.00 C ATOM 0 H VAL A 42 -5.532 4.476 -1.183 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.797 3.618 1.629 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.924 2.348 -0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.983 0.729 0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.207 0.650 0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.123 1.464 1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.115 2.862 0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.302 3.686 1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.163 4.336 -0.201 1.00 0.00 H new ATOM 609 N ARG A 43 -3.913 2.004 1.467 1.00 0.00 N ATOM 610 CA ARG A 43 -2.739 1.143 1.406 1.00 0.00 C ATOM 611 C ARG A 43 -2.990 -0.173 2.138 1.00 0.00 C ATOM 612 O ARG A 43 -4.076 -0.400 2.668 1.00 0.00 O ATOM 613 CB ARG A 43 -1.526 1.852 2.010 1.00 0.00 C ATOM 614 CG ARG A 43 -1.718 2.252 3.464 1.00 0.00 C ATOM 615 CD ARG A 43 -0.572 3.121 3.959 1.00 0.00 C ATOM 616 NE ARG A 43 -0.559 3.233 5.415 1.00 0.00 N ATOM 617 CZ ARG A 43 -0.306 2.213 6.227 1.00 0.00 C ATOM 618 NH1 ARG A 43 -0.046 1.013 5.729 1.00 0.00 N ATOM 619 NH2 ARG A 43 -0.311 2.394 7.542 1.00 0.00 N ATOM 0 H ARG A 43 -4.230 2.219 2.413 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.537 0.923 0.358 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.658 1.198 1.933 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.307 2.743 1.422 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.659 2.792 3.573 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.791 1.357 4.082 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.375 2.701 3.619 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.655 4.115 3.520 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.755 4.144 5.831 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.040 0.870 4.719 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.148 0.232 6.356 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.509 3.317 7.929 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.117 1.610 8.165 1.00 0.00 H new ATOM 633 N GLU A 44 -1.977 -1.034 2.161 1.00 0.00 N ATOM 634 CA GLU A 44 -2.090 -2.326 2.827 1.00 0.00 C ATOM 635 C GLU A 44 -0.721 -2.830 3.272 1.00 0.00 C ATOM 636 O GLU A 44 0.268 -2.686 2.554 1.00 0.00 O ATOM 637 CB GLU A 44 -2.746 -3.349 1.896 1.00 0.00 C ATOM 638 CG GLU A 44 -2.525 -4.790 2.325 1.00 0.00 C ATOM 639 CD GLU A 44 -2.938 -5.785 1.257 1.00 0.00 C ATOM 640 OE1 GLU A 44 -4.137 -6.127 1.197 1.00 0.00 O ATOM 641 OE2 GLU A 44 -2.061 -6.223 0.483 1.00 0.00 O ATOM 0 H GLU A 44 -1.071 -0.860 1.727 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.715 -2.197 3.711 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.817 -3.152 1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.354 -3.214 0.888 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.472 -4.936 2.565 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.090 -4.985 3.236 1.00 0.00 H new ATOM 649 N SER A 45 -0.673 -3.422 4.461 1.00 0.00 N ATOM 650 CA SER A 45 0.576 -3.944 5.004 1.00 0.00 C ATOM 651 C SER A 45 0.911 -5.300 4.389 1.00 0.00 C ATOM 652 O SER A 45 0.020 -6.057 4.008 1.00 0.00 O ATOM 653 CB SER A 45 0.482 -4.070 6.525 1.00 0.00 C ATOM 654 OG SER A 45 1.758 -4.295 7.099 1.00 0.00 O ATOM 0 H SER A 45 -1.484 -3.552 5.066 1.00 0.00 H new ATOM 0 HA SER A 45 1.373 -3.244 4.753 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.048 -3.161 6.942 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.186 -4.891 6.784 1.00 0.00 H new ATOM 0 HG SER A 45 1.670 -4.370 8.072 1.00 0.00 H new ATOM 660 N GLU A 46 2.203 -5.598 4.297 1.00 0.00 N ATOM 661 CA GLU A 46 2.657 -6.862 3.730 1.00 0.00 C ATOM 662 C GLU A 46 2.713 -7.950 4.797 1.00 0.00 C ATOM 663 O GLU A 46 2.083 -9.000 4.662 1.00 0.00 O ATOM 664 CB GLU A 46 4.036 -6.692 3.087 1.00 0.00 C ATOM 665 CG GLU A 46 4.591 -7.974 2.492 1.00 0.00 C ATOM 666 CD GLU A 46 5.972 -7.789 1.892 1.00 0.00 C ATOM 667 OE1 GLU A 46 6.072 -7.158 0.819 1.00 0.00 O ATOM 668 OE2 GLU A 46 6.951 -8.275 2.495 1.00 0.00 O ATOM 0 H GLU A 46 2.954 -4.981 4.608 1.00 0.00 H new ATOM 0 HA GLU A 46 1.941 -7.164 2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.972 -5.936 2.304 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.733 -6.317 3.836 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.635 -8.740 3.266 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.910 -8.337 1.722 1.00 0.00 H new ATOM 676 N SER A 47 3.469 -7.691 5.859 1.00 0.00 N ATOM 677 CA SER A 47 3.610 -8.651 6.949 1.00 0.00 C ATOM 678 C SER A 47 2.404 -8.594 7.881 1.00 0.00 C ATOM 679 O SER A 47 2.538 -8.309 9.071 1.00 0.00 O ATOM 680 CB SER A 47 4.891 -8.374 7.736 1.00 0.00 C ATOM 681 OG SER A 47 6.022 -8.922 7.082 1.00 0.00 O ATOM 0 H SER A 47 3.993 -6.826 5.988 1.00 0.00 H new ATOM 0 HA SER A 47 3.666 -9.650 6.517 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.022 -7.299 7.856 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.805 -8.798 8.737 1.00 0.00 H new ATOM 0 HG SER A 47 6.828 -8.729 7.605 1.00 0.00 H new ATOM 687 N SER A 48 1.225 -8.870 7.331 1.00 0.00 N ATOM 688 CA SER A 48 -0.006 -8.847 8.112 1.00 0.00 C ATOM 689 C SER A 48 -1.110 -9.632 7.409 1.00 0.00 C ATOM 690 O SER A 48 -1.095 -9.817 6.192 1.00 0.00 O ATOM 691 CB SER A 48 -0.460 -7.405 8.346 1.00 0.00 C ATOM 692 OG SER A 48 0.193 -6.842 9.471 1.00 0.00 O ATOM 0 H SER A 48 1.097 -9.112 6.348 1.00 0.00 H new ATOM 0 HA SER A 48 0.195 -9.318 9.074 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.248 -6.805 7.461 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.539 -7.380 8.497 1.00 0.00 H new ATOM 0 HG SER A 48 -0.100 -5.914 9.589 1.00 0.00 H new ATOM 698 N PRO A 49 -2.090 -10.104 8.192 1.00 0.00 N ATOM 699 CA PRO A 49 -3.220 -10.876 7.667 1.00 0.00 C ATOM 700 C PRO A 49 -4.167 -10.021 6.831 1.00 0.00 C ATOM 701 O PRO A 49 -5.149 -9.485 7.342 1.00 0.00 O ATOM 702 CB PRO A 49 -3.925 -11.375 8.930 1.00 0.00 C ATOM 703 CG PRO A 49 -3.560 -10.388 9.983 1.00 0.00 C ATOM 704 CD PRO A 49 -2.171 -9.922 9.651 1.00 0.00 C ATOM 0 HA PRO A 49 -2.894 -11.674 7.000 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.005 -11.422 8.788 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.595 -12.379 9.197 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.260 -9.552 9.994 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.592 -10.844 10.973 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.018 -8.881 9.935 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.415 -10.509 10.172 1.00 0.00 H new ATOM 712 N GLY A 50 -3.865 -9.899 5.541 1.00 0.00 N ATOM 713 CA GLY A 50 -4.699 -9.109 4.656 1.00 0.00 C ATOM 714 C GLY A 50 -5.293 -7.897 5.347 1.00 0.00 C ATOM 715 O GLY A 50 -6.504 -7.683 5.305 1.00 0.00 O ATOM 0 H GLY A 50 -3.058 -10.334 5.094 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.108 -8.782 3.800 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.504 -9.733 4.268 1.00 0.00 H new ATOM 719 N GLN A 51 -4.439 -7.105 5.986 1.00 0.00 N ATOM 720 CA GLN A 51 -4.888 -5.909 6.691 1.00 0.00 C ATOM 721 C GLN A 51 -5.213 -4.788 5.710 1.00 0.00 C ATOM 722 O GLN A 51 -4.872 -4.865 4.528 1.00 0.00 O ATOM 723 CB GLN A 51 -3.817 -5.444 7.679 1.00 0.00 C ATOM 724 CG GLN A 51 -2.727 -4.597 7.042 1.00 0.00 C ATOM 725 CD GLN A 51 -1.852 -3.903 8.067 1.00 0.00 C ATOM 726 OE1 GLN A 51 -1.217 -4.552 8.899 1.00 0.00 O ATOM 727 NE2 GLN A 51 -1.815 -2.576 8.012 1.00 0.00 N ATOM 0 H GLN A 51 -3.433 -7.269 6.031 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.796 -6.160 7.240 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.293 -4.870 8.474 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.361 -6.317 8.145 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.105 -5.229 6.408 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.185 -3.849 6.395 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.358 -2.080 7.305 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.244 -2.054 8.676 1.00 0.00 H new ATOM 736 N LEU A 52 -5.873 -3.749 6.205 1.00 0.00 N ATOM 737 CA LEU A 52 -6.246 -2.611 5.372 1.00 0.00 C ATOM 738 C LEU A 52 -6.448 -1.359 6.219 1.00 0.00 C ATOM 739 O LEU A 52 -6.960 -1.429 7.337 1.00 0.00 O ATOM 740 CB LEU A 52 -7.523 -2.922 4.590 1.00 0.00 C ATOM 741 CG LEU A 52 -7.429 -4.065 3.578 1.00 0.00 C ATOM 742 CD1 LEU A 52 -8.792 -4.355 2.971 1.00 0.00 C ATOM 743 CD2 LEU A 52 -6.418 -3.732 2.490 1.00 0.00 C ATOM 0 H LEU A 52 -6.162 -3.670 7.180 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.433 -2.425 4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.313 -3.159 5.303 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.830 -2.020 4.061 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.090 -4.960 4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.705 -5.171 2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.489 -4.638 3.760 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.161 -3.464 2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.364 -4.556 1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.727 -2.825 1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.437 -3.576 2.940 1.00 0.00 H new ATOM 755 N SER A 53 -6.045 -0.213 5.677 1.00 0.00 N ATOM 756 CA SER A 53 -6.181 1.055 6.385 1.00 0.00 C ATOM 757 C SER A 53 -6.387 2.205 5.404 1.00 0.00 C ATOM 758 O SER A 53 -5.793 2.228 4.324 1.00 0.00 O ATOM 759 CB SER A 53 -4.943 1.319 7.244 1.00 0.00 C ATOM 760 OG SER A 53 -4.853 0.387 8.308 1.00 0.00 O ATOM 0 H SER A 53 -5.623 -0.137 4.752 1.00 0.00 H new ATOM 0 HA SER A 53 -7.056 0.990 7.031 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.047 1.258 6.626 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.984 2.331 7.646 1.00 0.00 H new ATOM 0 HG SER A 53 -4.053 0.576 8.841 1.00 0.00 H new ATOM 766 N ILE A 54 -7.230 3.157 5.786 1.00 0.00 N ATOM 767 CA ILE A 54 -7.513 4.310 4.940 1.00 0.00 C ATOM 768 C ILE A 54 -6.810 5.560 5.461 1.00 0.00 C ATOM 769 O ILE A 54 -7.157 6.084 6.520 1.00 0.00 O ATOM 770 CB ILE A 54 -9.026 4.586 4.852 1.00 0.00 C ATOM 771 CG1 ILE A 54 -9.710 3.521 3.991 1.00 0.00 C ATOM 772 CG2 ILE A 54 -9.280 5.975 4.286 1.00 0.00 C ATOM 773 CD1 ILE A 54 -11.221 3.559 4.071 1.00 0.00 C ATOM 0 H ILE A 54 -7.729 3.153 6.675 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.136 4.071 3.945 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.448 4.542 5.856 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.406 3.654 2.953 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.362 2.536 4.302 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -10.354 6.154 4.230 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.820 6.721 4.934 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.848 6.046 3.288 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.639 2.777 3.436 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.535 3.396 5.102 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.579 4.531 3.732 1.00 0.00 H new ATOM 785 N SER A 55 -5.823 6.034 4.708 1.00 0.00 N ATOM 786 CA SER A 55 -5.069 7.221 5.094 1.00 0.00 C ATOM 787 C SER A 55 -5.415 8.401 4.193 1.00 0.00 C ATOM 788 O SER A 55 -5.262 8.331 2.972 1.00 0.00 O ATOM 789 CB SER A 55 -3.567 6.940 5.032 1.00 0.00 C ATOM 790 OG SER A 55 -3.226 5.808 5.814 1.00 0.00 O ATOM 0 H SER A 55 -5.527 5.614 3.827 1.00 0.00 H new ATOM 0 HA SER A 55 -5.341 7.477 6.118 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.267 6.774 3.997 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.016 7.811 5.388 1.00 0.00 H new ATOM 0 HG SER A 55 -2.261 5.649 5.756 1.00 0.00 H new ATOM 796 N LEU A 56 -5.883 9.485 4.801 1.00 0.00 N ATOM 797 CA LEU A 56 -6.252 10.683 4.053 1.00 0.00 C ATOM 798 C LEU A 56 -5.584 11.920 4.645 1.00 0.00 C ATOM 799 O LEU A 56 -5.439 12.038 5.860 1.00 0.00 O ATOM 800 CB LEU A 56 -7.771 10.860 4.053 1.00 0.00 C ATOM 801 CG LEU A 56 -8.349 11.703 5.190 1.00 0.00 C ATOM 802 CD1 LEU A 56 -8.000 13.171 4.998 1.00 0.00 C ATOM 803 CD2 LEU A 56 -9.856 11.518 5.278 1.00 0.00 C ATOM 0 H LEU A 56 -6.016 9.560 5.809 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.907 10.562 3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.064 11.314 3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.232 9.873 4.089 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.906 11.366 6.127 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.420 13.755 5.817 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.916 13.289 4.987 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.413 13.523 4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.250 12.125 6.093 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.316 11.827 4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.083 10.469 5.465 1.00 0.00 H new ATOM 815 N ARG A 57 -5.182 12.842 3.775 1.00 0.00 N ATOM 816 CA ARG A 57 -4.532 14.071 4.212 1.00 0.00 C ATOM 817 C ARG A 57 -5.564 15.120 4.615 1.00 0.00 C ATOM 818 O ARG A 57 -6.294 15.644 3.772 1.00 0.00 O ATOM 819 CB ARG A 57 -3.637 14.623 3.100 1.00 0.00 C ATOM 820 CG ARG A 57 -2.897 15.892 3.486 1.00 0.00 C ATOM 821 CD ARG A 57 -1.956 15.654 4.655 1.00 0.00 C ATOM 822 NE ARG A 57 -0.909 14.690 4.327 1.00 0.00 N ATOM 823 CZ ARG A 57 0.194 15.001 3.657 1.00 0.00 C ATOM 824 NH1 ARG A 57 0.395 16.246 3.246 1.00 0.00 N ATOM 825 NH2 ARG A 57 1.101 14.068 3.399 1.00 0.00 N ATOM 0 H ARG A 57 -5.295 12.761 2.765 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.918 13.837 5.082 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.911 13.861 2.818 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.248 14.822 2.219 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.330 16.259 2.630 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -3.616 16.668 3.748 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.499 16.598 4.951 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.526 15.293 5.511 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.032 13.724 4.630 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.299 16.967 3.445 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.243 16.482 2.731 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.951 13.110 3.716 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.948 14.309 2.884 1.00 0.00 H new ATOM 839 N TYR A 58 -5.619 15.421 5.907 1.00 0.00 N ATOM 840 CA TYR A 58 -6.565 16.404 6.423 1.00 0.00 C ATOM 841 C TYR A 58 -5.845 17.480 7.231 1.00 0.00 C ATOM 842 O TYR A 58 -5.317 17.212 8.309 1.00 0.00 O ATOM 843 CB TYR A 58 -7.621 15.720 7.292 1.00 0.00 C ATOM 844 CG TYR A 58 -8.616 16.680 7.905 1.00 0.00 C ATOM 845 CD1 TYR A 58 -9.415 17.488 7.104 1.00 0.00 C ATOM 846 CD2 TYR A 58 -8.756 16.780 9.283 1.00 0.00 C ATOM 847 CE1 TYR A 58 -10.324 18.366 7.660 1.00 0.00 C ATOM 848 CE2 TYR A 58 -9.663 17.656 9.847 1.00 0.00 C ATOM 849 CZ TYR A 58 -10.446 18.447 9.031 1.00 0.00 C ATOM 850 OH TYR A 58 -11.350 19.321 9.589 1.00 0.00 O ATOM 0 H TYR A 58 -5.020 14.999 6.617 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.056 16.879 5.574 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.159 14.989 6.688 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.122 15.169 8.089 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.323 17.428 6.030 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.145 16.162 9.925 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.937 18.987 7.024 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.759 17.722 10.921 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.311 19.253 10.566 1.00 0.00 H new ATOM 860 N GLU A 59 -5.830 18.699 6.699 1.00 0.00 N ATOM 861 CA GLU A 59 -5.175 19.815 7.371 1.00 0.00 C ATOM 862 C GLU A 59 -3.672 19.575 7.487 1.00 0.00 C ATOM 863 O GLU A 59 -3.059 19.893 8.506 1.00 0.00 O ATOM 864 CB GLU A 59 -5.777 20.029 8.760 1.00 0.00 C ATOM 865 CG GLU A 59 -7.294 20.139 8.756 1.00 0.00 C ATOM 866 CD GLU A 59 -7.875 20.254 10.152 1.00 0.00 C ATOM 867 OE1 GLU A 59 -7.523 19.418 11.011 1.00 0.00 O ATOM 868 OE2 GLU A 59 -8.680 21.179 10.384 1.00 0.00 O ATOM 0 H GLU A 59 -6.263 18.938 5.807 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.337 20.711 6.772 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.483 19.202 9.406 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.356 20.936 9.193 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.590 21.010 8.171 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.717 19.264 8.262 1.00 0.00 H new ATOM 876 N GLY A 60 -3.086 19.009 6.437 1.00 0.00 N ATOM 877 CA GLY A 60 -1.662 18.733 6.442 1.00 0.00 C ATOM 878 C GLY A 60 -1.301 17.556 7.324 1.00 0.00 C ATOM 879 O GLY A 60 -0.146 17.131 7.365 1.00 0.00 O ATOM 0 H GLY A 60 -3.572 18.737 5.583 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.330 18.534 5.423 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.125 19.618 6.785 1.00 0.00 H new ATOM 883 N ARG A 61 -2.291 17.026 8.035 1.00 0.00 N ATOM 884 CA ARG A 61 -2.072 15.890 8.924 1.00 0.00 C ATOM 885 C ARG A 61 -2.587 14.600 8.294 1.00 0.00 C ATOM 886 O ARG A 61 -3.503 14.619 7.471 1.00 0.00 O ATOM 887 CB ARG A 61 -2.764 16.127 10.267 1.00 0.00 C ATOM 888 CG ARG A 61 -1.967 17.005 11.217 1.00 0.00 C ATOM 889 CD ARG A 61 -2.477 16.886 12.646 1.00 0.00 C ATOM 890 NE ARG A 61 -2.532 15.497 13.094 1.00 0.00 N ATOM 891 CZ ARG A 61 -3.065 15.118 14.249 1.00 0.00 C ATOM 892 NH1 ARG A 61 -3.587 16.021 15.070 1.00 0.00 N ATOM 893 NH2 ARG A 61 -3.077 13.835 14.587 1.00 0.00 N ATOM 0 H ARG A 61 -3.253 17.365 8.013 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.999 15.790 9.089 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.736 16.588 10.089 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.950 15.165 10.745 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.915 16.722 11.180 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.029 18.044 10.893 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.828 17.456 13.311 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.471 17.328 12.714 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.139 14.779 12.486 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.579 17.008 14.814 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.996 15.728 15.957 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.676 13.138 13.959 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.487 13.545 15.475 1.00 0.00 H new ATOM 907 N VAL A 62 -1.990 13.478 8.685 1.00 0.00 N ATOM 908 CA VAL A 62 -2.389 12.177 8.160 1.00 0.00 C ATOM 909 C VAL A 62 -3.285 11.437 9.146 1.00 0.00 C ATOM 910 O VAL A 62 -2.928 11.252 10.309 1.00 0.00 O ATOM 911 CB VAL A 62 -1.162 11.301 7.841 1.00 0.00 C ATOM 912 CG1 VAL A 62 -1.582 10.043 7.098 1.00 0.00 C ATOM 913 CG2 VAL A 62 -0.139 12.089 7.037 1.00 0.00 C ATOM 0 H VAL A 62 -1.229 13.444 9.363 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.943 12.363 7.240 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.698 11.001 8.781 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.702 9.437 6.882 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.274 9.470 7.715 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.072 10.318 6.164 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.721 11.455 6.821 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.589 12.421 6.102 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.186 12.956 7.612 1.00 0.00 H new ATOM 923 N TYR A 63 -4.453 11.015 8.671 1.00 0.00 N ATOM 924 CA TYR A 63 -5.403 10.297 9.511 1.00 0.00 C ATOM 925 C TYR A 63 -5.612 8.874 9.004 1.00 0.00 C ATOM 926 O TYR A 63 -5.966 8.661 7.844 1.00 0.00 O ATOM 927 CB TYR A 63 -6.742 11.036 9.551 1.00 0.00 C ATOM 928 CG TYR A 63 -6.680 12.363 10.272 1.00 0.00 C ATOM 929 CD1 TYR A 63 -6.348 13.530 9.597 1.00 0.00 C ATOM 930 CD2 TYR A 63 -6.955 12.449 11.632 1.00 0.00 C ATOM 931 CE1 TYR A 63 -6.289 14.744 10.253 1.00 0.00 C ATOM 932 CE2 TYR A 63 -6.900 13.659 12.297 1.00 0.00 C ATOM 933 CZ TYR A 63 -6.567 14.804 11.603 1.00 0.00 C ATOM 934 OH TYR A 63 -6.511 16.012 12.260 1.00 0.00 O ATOM 0 H TYR A 63 -4.763 11.158 7.710 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.991 10.248 10.519 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.086 11.202 8.530 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.483 10.402 10.038 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -6.132 13.488 8.540 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.216 11.555 12.178 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.027 15.641 9.712 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.116 13.708 13.354 1.00 0.00 H new ATOM 0 HH TYR A 63 -6.735 15.881 13.205 1.00 0.00 H new ATOM 944 N HIS A 64 -5.387 7.901 9.882 1.00 0.00 N ATOM 945 CA HIS A 64 -5.551 6.496 9.526 1.00 0.00 C ATOM 946 C HIS A 64 -6.859 5.942 10.083 1.00 0.00 C ATOM 947 O HIS A 64 -7.281 6.307 11.180 1.00 0.00 O ATOM 948 CB HIS A 64 -4.372 5.675 10.048 1.00 0.00 C ATOM 949 CG HIS A 64 -4.486 5.318 11.498 1.00 0.00 C ATOM 950 ND1 HIS A 64 -5.539 4.591 12.014 1.00 0.00 N ATOM 951 CD2 HIS A 64 -3.672 5.590 12.544 1.00 0.00 C ATOM 952 CE1 HIS A 64 -5.368 4.433 13.313 1.00 0.00 C ATOM 953 NE2 HIS A 64 -4.242 5.030 13.661 1.00 0.00 N ATOM 0 H HIS A 64 -5.091 8.060 10.845 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.581 6.424 8.439 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -4.290 4.759 9.462 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -3.451 6.237 9.892 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.746 6.145 12.507 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.035 3.905 13.978 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.858 5.069 14.605 1.00 0.00 H new ATOM 962 N TYR A 65 -7.494 5.060 9.321 1.00 0.00 N ATOM 963 CA TYR A 65 -8.756 4.458 9.736 1.00 0.00 C ATOM 964 C TYR A 65 -8.752 2.955 9.482 1.00 0.00 C ATOM 965 O TYR A 65 -8.899 2.506 8.345 1.00 0.00 O ATOM 966 CB TYR A 65 -9.924 5.110 8.995 1.00 0.00 C ATOM 967 CG TYR A 65 -9.719 6.581 8.713 1.00 0.00 C ATOM 968 CD1 TYR A 65 -9.556 7.490 9.751 1.00 0.00 C ATOM 969 CD2 TYR A 65 -9.688 7.061 7.411 1.00 0.00 C ATOM 970 CE1 TYR A 65 -9.368 8.836 9.500 1.00 0.00 C ATOM 971 CE2 TYR A 65 -9.499 8.405 7.149 1.00 0.00 C ATOM 972 CZ TYR A 65 -9.340 9.287 8.196 1.00 0.00 C ATOM 973 OH TYR A 65 -9.153 10.627 7.940 1.00 0.00 O ATOM 0 H TYR A 65 -7.156 4.745 8.412 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.875 4.626 10.806 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.082 4.587 8.052 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.832 4.985 9.585 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.577 7.139 10.772 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -9.814 6.373 6.588 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.244 9.530 10.318 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.476 8.762 6.130 1.00 0.00 H new ATOM 0 HH TYR A 65 -10.023 11.063 7.825 1.00 0.00 H new ATOM 983 N ARG A 66 -8.585 2.180 10.549 1.00 0.00 N ATOM 984 CA ARG A 66 -8.562 0.726 10.443 1.00 0.00 C ATOM 985 C ARG A 66 -9.907 0.195 9.959 1.00 0.00 C ATOM 986 O ARG A 66 -10.960 0.718 10.325 1.00 0.00 O ATOM 987 CB ARG A 66 -8.210 0.101 11.793 1.00 0.00 C ATOM 988 CG ARG A 66 -6.724 -0.163 11.975 1.00 0.00 C ATOM 989 CD ARG A 66 -6.337 -1.542 11.461 1.00 0.00 C ATOM 990 NE ARG A 66 -6.627 -2.590 12.436 1.00 0.00 N ATOM 991 CZ ARG A 66 -7.747 -3.305 12.435 1.00 0.00 C ATOM 992 NH1 ARG A 66 -8.677 -3.085 11.515 1.00 0.00 N ATOM 993 NH2 ARG A 66 -7.939 -4.241 13.356 1.00 0.00 N ATOM 0 H ARG A 66 -8.464 2.535 11.497 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.800 0.452 9.714 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.553 0.761 12.590 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.753 -0.838 11.901 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.150 0.598 11.446 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.465 -0.081 13.031 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.875 -1.748 10.536 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.274 -1.554 11.221 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.932 -2.784 13.157 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.533 -2.366 10.806 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.536 -3.635 11.516 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.226 -4.412 14.066 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.799 -4.789 13.354 1.00 0.00 H new ATOM 1007 N ILE A 67 -9.865 -0.846 9.135 1.00 0.00 N ATOM 1008 CA ILE A 67 -11.081 -1.449 8.602 1.00 0.00 C ATOM 1009 C ILE A 67 -11.519 -2.641 9.446 1.00 0.00 C ATOM 1010 O ILE A 67 -10.785 -3.618 9.585 1.00 0.00 O ATOM 1011 CB ILE A 67 -10.889 -1.907 7.145 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -10.679 -0.698 6.230 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -12.088 -2.722 6.685 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -9.237 -0.244 6.154 1.00 0.00 C ATOM 0 H ILE A 67 -9.002 -1.290 8.822 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.855 -0.682 8.634 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.002 -2.538 7.092 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.027 -0.946 5.227 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -11.294 0.129 6.586 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -11.938 -3.039 5.653 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -12.197 -3.600 7.322 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -12.989 -2.112 6.750 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.161 0.616 5.489 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -8.891 0.035 7.149 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.620 -1.056 5.769 1.00 0.00 H new ATOM 1026 N ASN A 68 -12.722 -2.554 10.004 1.00 0.00 N ATOM 1027 CA ASN A 68 -13.260 -3.627 10.832 1.00 0.00 C ATOM 1028 C ASN A 68 -14.000 -4.654 9.981 1.00 0.00 C ATOM 1029 O ASN A 68 -14.892 -4.305 9.205 1.00 0.00 O ATOM 1030 CB ASN A 68 -14.200 -3.056 11.896 1.00 0.00 C ATOM 1031 CG ASN A 68 -13.508 -2.055 12.802 1.00 0.00 C ATOM 1032 OD1 ASN A 68 -12.637 -2.416 13.593 1.00 0.00 O ATOM 1033 ND2 ASN A 68 -13.894 -0.789 12.688 1.00 0.00 N ATOM 0 H ASN A 68 -13.343 -1.752 9.898 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.425 -4.125 11.324 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -15.047 -2.575 11.408 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.600 -3.871 12.499 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.464 -0.070 13.270 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.620 -0.536 12.018 1.00 0.00 H new ATOM 1040 N THR A 69 -13.628 -5.920 10.131 1.00 0.00 N ATOM 1041 CA THR A 69 -14.256 -6.996 9.376 1.00 0.00 C ATOM 1042 C THR A 69 -15.234 -7.778 10.244 1.00 0.00 C ATOM 1043 O THR A 69 -15.016 -7.951 11.444 1.00 0.00 O ATOM 1044 CB THR A 69 -13.206 -7.968 8.804 1.00 0.00 C ATOM 1045 OG1 THR A 69 -12.193 -7.238 8.103 1.00 0.00 O ATOM 1046 CG2 THR A 69 -13.855 -8.974 7.865 1.00 0.00 C ATOM 0 H THR A 69 -12.894 -6.226 10.769 1.00 0.00 H new ATOM 0 HA THR A 69 -14.797 -6.530 8.552 1.00 0.00 H new ATOM 0 HB THR A 69 -12.754 -8.509 9.635 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.529 -7.863 7.744 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.094 -9.650 7.474 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.605 -9.548 8.409 1.00 0.00 H new ATOM 0 HG23 THR A 69 -14.331 -8.446 7.039 1.00 0.00 H new ATOM 1054 N THR A 70 -16.316 -8.252 9.631 1.00 0.00 N ATOM 1055 CA THR A 70 -17.328 -9.014 10.348 1.00 0.00 C ATOM 1056 C THR A 70 -17.199 -10.506 10.061 1.00 0.00 C ATOM 1057 O THR A 70 -16.409 -10.918 9.213 1.00 0.00 O ATOM 1058 CB THR A 70 -18.750 -8.553 9.974 1.00 0.00 C ATOM 1059 OG1 THR A 70 -18.965 -8.722 8.569 1.00 0.00 O ATOM 1060 CG2 THR A 70 -18.963 -7.095 10.352 1.00 0.00 C ATOM 0 H THR A 70 -16.512 -8.120 8.639 1.00 0.00 H new ATOM 0 HA THR A 70 -17.163 -8.835 11.410 1.00 0.00 H new ATOM 0 HB THR A 70 -19.464 -9.164 10.527 1.00 0.00 H new ATOM 0 HG1 THR A 70 -19.871 -8.429 8.339 1.00 0.00 H new ATOM 0 HG21 THR A 70 -19.974 -6.792 10.078 1.00 0.00 H new ATOM 0 HG22 THR A 70 -18.826 -6.974 11.427 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.242 -6.473 9.822 1.00 0.00 H new ATOM 1068 N ALA A 71 -17.981 -11.311 10.773 1.00 0.00 N ATOM 1069 CA ALA A 71 -17.955 -12.757 10.592 1.00 0.00 C ATOM 1070 C ALA A 71 -17.927 -13.124 9.112 1.00 0.00 C ATOM 1071 O ALA A 71 -17.050 -13.863 8.663 1.00 0.00 O ATOM 1072 CB ALA A 71 -19.156 -13.396 11.274 1.00 0.00 C ATOM 0 H ALA A 71 -18.640 -10.986 11.480 1.00 0.00 H new ATOM 0 HA ALA A 71 -17.044 -13.140 11.052 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -19.124 -14.476 11.131 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.132 -13.170 12.340 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -20.074 -13.000 10.840 1.00 0.00 H new ATOM 1078 N ASP A 72 -18.892 -12.606 8.360 1.00 0.00 N ATOM 1079 CA ASP A 72 -18.976 -12.880 6.930 1.00 0.00 C ATOM 1080 C ASP A 72 -17.784 -12.280 6.190 1.00 0.00 C ATOM 1081 O ASP A 72 -16.946 -13.002 5.654 1.00 0.00 O ATOM 1082 CB ASP A 72 -20.280 -12.321 6.360 1.00 0.00 C ATOM 1083 CG ASP A 72 -20.276 -12.272 4.845 1.00 0.00 C ATOM 1084 OD1 ASP A 72 -19.753 -13.221 4.222 1.00 0.00 O ATOM 1085 OD2 ASP A 72 -20.797 -11.287 4.280 1.00 0.00 O ATOM 0 H ASP A 72 -19.626 -11.995 8.716 1.00 0.00 H new ATOM 0 HA ASP A 72 -18.960 -13.961 6.790 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -21.114 -12.936 6.698 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -20.444 -11.317 6.753 1.00 0.00 H new ATOM 1091 N GLY A 73 -17.717 -10.952 6.166 1.00 0.00 N ATOM 1092 CA GLY A 73 -16.625 -10.278 5.489 1.00 0.00 C ATOM 1093 C GLY A 73 -17.011 -8.895 5.000 1.00 0.00 C ATOM 1094 O GLY A 73 -16.734 -8.532 3.857 1.00 0.00 O ATOM 0 H GLY A 73 -18.399 -10.332 6.603 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -15.776 -10.196 6.168 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -16.299 -10.882 4.642 1.00 0.00 H new ATOM 1098 N LYS A 74 -17.654 -8.122 5.868 1.00 0.00 N ATOM 1099 CA LYS A 74 -18.080 -6.770 5.522 1.00 0.00 C ATOM 1100 C LYS A 74 -17.089 -5.737 6.047 1.00 0.00 C ATOM 1101 O LYS A 74 -16.712 -5.761 7.218 1.00 0.00 O ATOM 1102 CB LYS A 74 -19.473 -6.492 6.091 1.00 0.00 C ATOM 1103 CG LYS A 74 -20.553 -7.394 5.521 1.00 0.00 C ATOM 1104 CD LYS A 74 -21.914 -7.080 6.122 1.00 0.00 C ATOM 1105 CE LYS A 74 -23.040 -7.689 5.298 1.00 0.00 C ATOM 1106 NZ LYS A 74 -23.185 -9.149 5.551 1.00 0.00 N ATOM 0 H LYS A 74 -17.892 -8.408 6.818 1.00 0.00 H new ATOM 0 HA LYS A 74 -18.116 -6.693 4.435 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -19.445 -6.613 7.174 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -19.737 -5.453 5.893 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -20.595 -7.274 4.438 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -20.299 -8.436 5.716 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -21.960 -7.462 7.142 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -22.047 -6.000 6.180 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -23.977 -7.185 5.534 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -22.846 -7.521 4.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -23.962 -9.526 4.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -22.300 -9.634 5.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -23.395 -9.308 6.557 1.00 0.00 H new ATOM 1120 N VAL A 75 -16.670 -4.827 5.171 1.00 0.00 N ATOM 1121 CA VAL A 75 -15.725 -3.783 5.547 1.00 0.00 C ATOM 1122 C VAL A 75 -16.447 -2.480 5.870 1.00 0.00 C ATOM 1123 O VAL A 75 -17.386 -2.088 5.176 1.00 0.00 O ATOM 1124 CB VAL A 75 -14.699 -3.524 4.426 1.00 0.00 C ATOM 1125 CG1 VAL A 75 -13.551 -4.518 4.514 1.00 0.00 C ATOM 1126 CG2 VAL A 75 -15.371 -3.594 3.064 1.00 0.00 C ATOM 0 H VAL A 75 -16.971 -4.793 4.197 1.00 0.00 H new ATOM 0 HA VAL A 75 -15.201 -4.135 6.435 1.00 0.00 H new ATOM 0 HB VAL A 75 -14.291 -2.521 4.554 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.836 -4.320 3.715 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -13.054 -4.416 5.479 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -13.939 -5.532 4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.633 -3.409 2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -15.807 -4.583 2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -16.156 -2.840 3.007 1.00 0.00 H new ATOM 1136 N TYR A 76 -16.003 -1.810 6.929 1.00 0.00 N ATOM 1137 CA TYR A 76 -16.608 -0.552 7.346 1.00 0.00 C ATOM 1138 C TYR A 76 -15.783 0.110 8.446 1.00 0.00 C ATOM 1139 O TYR A 76 -15.555 -0.475 9.505 1.00 0.00 O ATOM 1140 CB TYR A 76 -18.038 -0.785 7.837 1.00 0.00 C ATOM 1141 CG TYR A 76 -18.112 -1.399 9.216 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -17.824 -2.743 9.417 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -18.471 -0.635 10.319 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -17.891 -3.308 10.676 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -18.540 -1.191 11.582 1.00 0.00 C ATOM 1146 CZ TYR A 76 -18.249 -2.527 11.755 1.00 0.00 C ATOM 1147 OH TYR A 76 -18.318 -3.086 13.011 1.00 0.00 O ATOM 0 H TYR A 76 -15.226 -2.118 7.513 1.00 0.00 H new ATOM 0 HA TYR A 76 -16.632 0.113 6.483 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -18.571 0.166 7.843 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -18.554 -1.435 7.131 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -17.543 -3.357 8.574 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -18.700 0.412 10.187 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -17.664 -4.355 10.814 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -18.820 -0.582 12.429 1.00 0.00 H new ATOM 0 HH TYR A 76 -18.583 -2.401 13.660 1.00 0.00 H new ATOM 1157 N VAL A 77 -15.339 1.336 8.187 1.00 0.00 N ATOM 1158 CA VAL A 77 -14.540 2.080 9.155 1.00 0.00 C ATOM 1159 C VAL A 77 -15.402 3.065 9.936 1.00 0.00 C ATOM 1160 O VAL A 77 -15.375 4.269 9.685 1.00 0.00 O ATOM 1161 CB VAL A 77 -13.398 2.850 8.466 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -12.377 1.883 7.884 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -13.950 3.769 7.387 1.00 0.00 C ATOM 0 H VAL A 77 -15.519 1.835 7.316 1.00 0.00 H new ATOM 0 HA VAL A 77 -14.113 1.349 9.842 1.00 0.00 H new ATOM 0 HB VAL A 77 -12.896 3.465 9.212 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -11.578 2.445 7.401 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.959 1.271 8.683 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -12.862 1.239 7.150 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -13.129 4.305 6.911 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -14.478 3.177 6.640 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -14.639 4.485 7.836 1.00 0.00 H new ATOM 1173 N THR A 78 -16.170 2.543 10.890 1.00 0.00 N ATOM 1174 CA THR A 78 -17.042 3.376 11.709 1.00 0.00 C ATOM 1175 C THR A 78 -17.709 2.558 12.809 1.00 0.00 C ATOM 1176 O THR A 78 -17.601 1.332 12.835 1.00 0.00 O ATOM 1177 CB THR A 78 -18.131 4.056 10.859 1.00 0.00 C ATOM 1178 OG1 THR A 78 -19.178 4.546 11.705 1.00 0.00 O ATOM 1179 CG2 THR A 78 -18.708 3.085 9.839 1.00 0.00 C ATOM 0 H THR A 78 -16.205 1.548 11.113 1.00 0.00 H new ATOM 0 HA THR A 78 -16.413 4.143 12.161 1.00 0.00 H new ATOM 0 HB THR A 78 -17.676 4.890 10.325 1.00 0.00 H new ATOM 0 HG1 THR A 78 -19.866 4.979 11.157 1.00 0.00 H new ATOM 0 HG21 THR A 78 -19.475 3.589 9.251 1.00 0.00 H new ATOM 0 HG22 THR A 78 -17.914 2.737 9.178 1.00 0.00 H new ATOM 0 HG23 THR A 78 -19.149 2.233 10.357 1.00 0.00 H new ATOM 1187 N ALA A 79 -18.397 3.244 13.716 1.00 0.00 N ATOM 1188 CA ALA A 79 -19.084 2.581 14.816 1.00 0.00 C ATOM 1189 C ALA A 79 -20.555 2.978 14.864 1.00 0.00 C ATOM 1190 O ALA A 79 -21.166 2.999 15.933 1.00 0.00 O ATOM 1191 CB ALA A 79 -18.402 2.905 16.137 1.00 0.00 C ATOM 0 H ALA A 79 -18.493 4.259 13.710 1.00 0.00 H new ATOM 0 HA ALA A 79 -19.032 1.505 14.649 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -18.926 2.403 16.950 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -17.368 2.563 16.106 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -18.423 3.982 16.303 1.00 0.00 H new ATOM 1197 N GLU A 80 -21.118 3.294 13.703 1.00 0.00 N ATOM 1198 CA GLU A 80 -22.518 3.693 13.615 1.00 0.00 C ATOM 1199 C GLU A 80 -23.253 2.872 12.561 1.00 0.00 C ATOM 1200 O GLU A 80 -24.454 2.630 12.673 1.00 0.00 O ATOM 1201 CB GLU A 80 -22.626 5.184 13.284 1.00 0.00 C ATOM 1202 CG GLU A 80 -22.068 6.091 14.367 1.00 0.00 C ATOM 1203 CD GLU A 80 -22.703 7.467 14.360 1.00 0.00 C ATOM 1204 OE1 GLU A 80 -22.117 8.387 13.750 1.00 0.00 O ATOM 1205 OE2 GLU A 80 -23.784 7.626 14.964 1.00 0.00 O ATOM 0 H GLU A 80 -20.626 3.282 12.809 1.00 0.00 H new ATOM 0 HA GLU A 80 -22.984 3.508 14.583 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -22.098 5.379 12.351 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -23.673 5.435 13.116 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -22.226 5.627 15.341 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -20.991 6.191 14.232 1.00 0.00 H new ATOM 1213 N SER A 81 -22.523 2.445 11.535 1.00 0.00 N ATOM 1214 CA SER A 81 -23.105 1.655 10.458 1.00 0.00 C ATOM 1215 C SER A 81 -22.047 0.778 9.795 1.00 0.00 C ATOM 1216 O SER A 81 -20.898 0.736 10.232 1.00 0.00 O ATOM 1217 CB SER A 81 -23.750 2.570 9.415 1.00 0.00 C ATOM 1218 OG SER A 81 -24.780 1.897 8.713 1.00 0.00 O ATOM 0 H SER A 81 -21.526 2.634 11.428 1.00 0.00 H new ATOM 0 HA SER A 81 -23.871 1.010 10.888 1.00 0.00 H new ATOM 0 HB2 SER A 81 -24.157 3.454 9.905 1.00 0.00 H new ATOM 0 HB3 SER A 81 -22.992 2.916 8.712 1.00 0.00 H new ATOM 0 HG SER A 81 -25.177 2.504 8.054 1.00 0.00 H new ATOM 1224 N ARG A 82 -22.446 0.079 8.737 1.00 0.00 N ATOM 1225 CA ARG A 82 -21.534 -0.799 8.013 1.00 0.00 C ATOM 1226 C ARG A 82 -21.682 -0.614 6.506 1.00 0.00 C ATOM 1227 O ARG A 82 -22.567 0.104 6.043 1.00 0.00 O ATOM 1228 CB ARG A 82 -21.794 -2.259 8.386 1.00 0.00 C ATOM 1229 CG ARG A 82 -21.481 -2.582 9.840 1.00 0.00 C ATOM 1230 CD ARG A 82 -21.636 -4.067 10.125 1.00 0.00 C ATOM 1231 NE ARG A 82 -22.994 -4.406 10.545 1.00 0.00 N ATOM 1232 CZ ARG A 82 -23.984 -4.654 9.696 1.00 0.00 C ATOM 1233 NH1 ARG A 82 -23.771 -4.603 8.388 1.00 0.00 N ATOM 1234 NH2 ARG A 82 -25.194 -4.955 10.154 1.00 0.00 N ATOM 0 H ARG A 82 -23.394 0.104 8.362 1.00 0.00 H new ATOM 0 HA ARG A 82 -20.515 -0.535 8.296 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -22.839 -2.495 8.187 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -21.194 -2.902 7.742 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -20.463 -2.270 10.072 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -22.145 -2.014 10.491 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -21.380 -4.636 9.231 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -20.932 -4.362 10.903 1.00 0.00 H new ATOM 0 HE ARG A 82 -23.192 -4.455 11.544 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -22.844 -4.373 8.031 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -24.534 -4.794 7.739 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -25.363 -4.996 11.159 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -25.954 -5.145 9.501 1.00 0.00 H new ATOM 1248 N PHE A 83 -20.810 -1.267 5.746 1.00 0.00 N ATOM 1249 CA PHE A 83 -20.842 -1.174 4.292 1.00 0.00 C ATOM 1250 C PHE A 83 -20.629 -2.544 3.653 1.00 0.00 C ATOM 1251 O PHE A 83 -19.865 -3.364 4.162 1.00 0.00 O ATOM 1252 CB PHE A 83 -19.773 -0.197 3.798 1.00 0.00 C ATOM 1253 CG PHE A 83 -19.995 1.217 4.256 1.00 0.00 C ATOM 1254 CD1 PHE A 83 -20.766 2.089 3.505 1.00 0.00 C ATOM 1255 CD2 PHE A 83 -19.433 1.672 5.438 1.00 0.00 C ATOM 1256 CE1 PHE A 83 -20.972 3.391 3.922 1.00 0.00 C ATOM 1257 CE2 PHE A 83 -19.636 2.971 5.861 1.00 0.00 C ATOM 1258 CZ PHE A 83 -20.406 3.833 5.103 1.00 0.00 C ATOM 0 H PHE A 83 -20.072 -1.867 6.114 1.00 0.00 H new ATOM 0 HA PHE A 83 -21.825 -0.805 3.999 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -18.796 -0.534 4.145 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -19.749 -0.218 2.708 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -21.212 1.748 2.582 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -18.830 1.004 6.035 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -21.574 4.061 3.326 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -19.193 3.313 6.784 1.00 0.00 H new ATOM 0 HZ PHE A 83 -20.565 4.849 5.433 1.00 0.00 H new ATOM 1268 N SER A 84 -21.309 -2.782 2.536 1.00 0.00 N ATOM 1269 CA SER A 84 -21.198 -4.053 1.831 1.00 0.00 C ATOM 1270 C SER A 84 -19.736 -4.422 1.603 1.00 0.00 C ATOM 1271 O SER A 84 -19.237 -5.405 2.154 1.00 0.00 O ATOM 1272 CB SER A 84 -21.933 -3.982 0.491 1.00 0.00 C ATOM 1273 OG SER A 84 -21.293 -4.787 -0.484 1.00 0.00 O ATOM 0 H SER A 84 -21.942 -2.112 2.100 1.00 0.00 H new ATOM 0 HA SER A 84 -21.657 -4.825 2.449 1.00 0.00 H new ATOM 0 HB2 SER A 84 -22.964 -4.312 0.620 1.00 0.00 H new ATOM 0 HB3 SER A 84 -21.970 -2.948 0.147 1.00 0.00 H new ATOM 0 HG SER A 84 -20.872 -4.213 -1.157 1.00 0.00 H new ATOM 1279 N THR A 85 -19.051 -3.627 0.788 1.00 0.00 N ATOM 1280 CA THR A 85 -17.647 -3.869 0.484 1.00 0.00 C ATOM 1281 C THR A 85 -16.872 -2.560 0.383 1.00 0.00 C ATOM 1282 O THR A 85 -17.459 -1.478 0.394 1.00 0.00 O ATOM 1283 CB THR A 85 -17.483 -4.653 -0.831 1.00 0.00 C ATOM 1284 OG1 THR A 85 -17.825 -3.818 -1.944 1.00 0.00 O ATOM 1285 CG2 THR A 85 -18.359 -5.897 -0.835 1.00 0.00 C ATOM 0 H THR A 85 -19.447 -2.808 0.326 1.00 0.00 H new ATOM 0 HA THR A 85 -17.245 -4.463 1.304 1.00 0.00 H new ATOM 0 HB THR A 85 -16.441 -4.963 -0.915 1.00 0.00 H new ATOM 0 HG1 THR A 85 -17.717 -4.323 -2.777 1.00 0.00 H new ATOM 0 HG21 THR A 85 -18.225 -6.433 -1.774 1.00 0.00 H new ATOM 0 HG22 THR A 85 -18.076 -6.544 -0.004 1.00 0.00 H new ATOM 0 HG23 THR A 85 -19.404 -5.606 -0.729 1.00 0.00 H new ATOM 1293 N LEU A 86 -15.552 -2.665 0.285 1.00 0.00 N ATOM 1294 CA LEU A 86 -14.696 -1.490 0.180 1.00 0.00 C ATOM 1295 C LEU A 86 -15.281 -0.474 -0.797 1.00 0.00 C ATOM 1296 O LEU A 86 -15.443 0.699 -0.465 1.00 0.00 O ATOM 1297 CB LEU A 86 -13.291 -1.894 -0.267 1.00 0.00 C ATOM 1298 CG LEU A 86 -12.147 -1.011 0.231 1.00 0.00 C ATOM 1299 CD1 LEU A 86 -12.147 -0.943 1.750 1.00 0.00 C ATOM 1300 CD2 LEU A 86 -10.811 -1.528 -0.282 1.00 0.00 C ATOM 0 H LEU A 86 -15.051 -3.553 0.276 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.637 -1.027 1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.106 -2.915 0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.267 -1.904 -1.357 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.297 -0.003 -0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -11.326 -0.310 2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.092 -0.525 2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.023 -1.946 2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.008 -0.887 0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.653 -2.546 0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.813 -1.522 -1.372 1.00 0.00 H new ATOM 1312 N ALA A 87 -15.599 -0.938 -2.002 1.00 0.00 N ATOM 1313 CA ALA A 87 -16.170 -0.070 -3.025 1.00 0.00 C ATOM 1314 C ALA A 87 -17.205 0.877 -2.429 1.00 0.00 C ATOM 1315 O ALA A 87 -17.069 2.095 -2.521 1.00 0.00 O ATOM 1316 CB ALA A 87 -16.793 -0.906 -4.135 1.00 0.00 C ATOM 0 H ALA A 87 -15.471 -1.907 -2.293 1.00 0.00 H new ATOM 0 HA ALA A 87 -15.366 0.534 -3.445 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -17.216 -0.247 -4.893 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -16.028 -1.537 -4.588 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -17.581 -1.534 -3.719 1.00 0.00 H new ATOM 1322 N GLU A 88 -18.239 0.307 -1.818 1.00 0.00 N ATOM 1323 CA GLU A 88 -19.298 1.102 -1.207 1.00 0.00 C ATOM 1324 C GLU A 88 -18.758 1.918 -0.036 1.00 0.00 C ATOM 1325 O GLU A 88 -19.153 3.067 0.169 1.00 0.00 O ATOM 1326 CB GLU A 88 -20.437 0.197 -0.731 1.00 0.00 C ATOM 1327 CG GLU A 88 -20.965 -0.734 -1.810 1.00 0.00 C ATOM 1328 CD GLU A 88 -22.432 -1.068 -1.622 1.00 0.00 C ATOM 1329 OE1 GLU A 88 -23.131 -0.302 -0.928 1.00 0.00 O ATOM 1330 OE2 GLU A 88 -22.881 -2.097 -2.171 1.00 0.00 O ATOM 0 H GLU A 88 -18.366 -0.702 -1.733 1.00 0.00 H new ATOM 0 HA GLU A 88 -19.682 1.790 -1.961 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -20.088 -0.399 0.113 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -21.255 0.818 -0.366 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -20.823 -0.270 -2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -20.383 -1.655 -1.807 1.00 0.00 H new ATOM 1338 N LEU A 89 -17.856 1.317 0.730 1.00 0.00 N ATOM 1339 CA LEU A 89 -17.261 1.987 1.882 1.00 0.00 C ATOM 1340 C LEU A 89 -16.625 3.311 1.473 1.00 0.00 C ATOM 1341 O LEU A 89 -17.026 4.376 1.944 1.00 0.00 O ATOM 1342 CB LEU A 89 -16.214 1.085 2.536 1.00 0.00 C ATOM 1343 CG LEU A 89 -15.339 1.739 3.608 1.00 0.00 C ATOM 1344 CD1 LEU A 89 -14.856 0.701 4.609 1.00 0.00 C ATOM 1345 CD2 LEU A 89 -14.161 2.457 2.969 1.00 0.00 C ATOM 0 H LEU A 89 -17.520 0.367 0.575 1.00 0.00 H new ATOM 0 HA LEU A 89 -18.054 2.193 2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -16.726 0.233 2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -15.564 0.692 1.755 1.00 0.00 H new ATOM 0 HG LEU A 89 -15.940 2.475 4.142 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.235 1.184 5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -15.715 0.233 5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.271 -0.059 4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.550 2.916 3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.559 1.741 2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.529 3.229 2.293 1.00 0.00 H new ATOM 1357 N VAL A 90 -15.631 3.238 0.593 1.00 0.00 N ATOM 1358 CA VAL A 90 -14.941 4.431 0.117 1.00 0.00 C ATOM 1359 C VAL A 90 -15.876 5.317 -0.700 1.00 0.00 C ATOM 1360 O VAL A 90 -15.926 6.531 -0.504 1.00 0.00 O ATOM 1361 CB VAL A 90 -13.716 4.065 -0.742 1.00 0.00 C ATOM 1362 CG1 VAL A 90 -13.036 5.322 -1.264 1.00 0.00 C ATOM 1363 CG2 VAL A 90 -12.741 3.214 0.058 1.00 0.00 C ATOM 0 H VAL A 90 -15.286 2.365 0.195 1.00 0.00 H new ATOM 0 HA VAL A 90 -14.606 4.977 0.999 1.00 0.00 H new ATOM 0 HB VAL A 90 -14.054 3.482 -1.598 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.173 5.044 -1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.739 5.889 -1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.709 5.934 -0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.881 2.964 -0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.406 3.770 0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -13.236 2.297 0.378 1.00 0.00 H new ATOM 1373 N HIS A 91 -16.615 4.700 -1.617 1.00 0.00 N ATOM 1374 CA HIS A 91 -17.549 5.433 -2.465 1.00 0.00 C ATOM 1375 C HIS A 91 -18.576 6.180 -1.621 1.00 0.00 C ATOM 1376 O HIS A 91 -18.600 7.412 -1.597 1.00 0.00 O ATOM 1377 CB HIS A 91 -18.258 4.477 -3.424 1.00 0.00 C ATOM 1378 CG HIS A 91 -18.973 5.171 -4.542 1.00 0.00 C ATOM 1379 ND1 HIS A 91 -20.195 5.790 -4.383 1.00 0.00 N ATOM 1380 CD2 HIS A 91 -18.631 5.344 -5.840 1.00 0.00 C ATOM 1381 CE1 HIS A 91 -20.575 6.310 -5.536 1.00 0.00 C ATOM 1382 NE2 HIS A 91 -19.642 6.056 -6.437 1.00 0.00 N ATOM 0 H HIS A 91 -16.585 3.696 -1.792 1.00 0.00 H new ATOM 0 HA HIS A 91 -16.981 6.161 -3.044 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -17.526 3.788 -3.845 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -18.974 3.877 -2.863 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -17.730 4.988 -6.318 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -21.493 6.851 -5.713 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -19.669 6.342 -7.416 1.00 0.00 H new ATOM 1391 N HIS A 92 -19.426 5.428 -0.928 1.00 0.00 N ATOM 1392 CA HIS A 92 -20.458 6.020 -0.084 1.00 0.00 C ATOM 1393 C HIS A 92 -19.886 7.164 0.750 1.00 0.00 C ATOM 1394 O HIS A 92 -20.496 8.227 0.862 1.00 0.00 O ATOM 1395 CB HIS A 92 -21.065 4.958 0.835 1.00 0.00 C ATOM 1396 CG HIS A 92 -22.438 5.304 1.324 1.00 0.00 C ATOM 1397 ND1 HIS A 92 -23.586 4.754 0.794 1.00 0.00 N ATOM 1398 CD2 HIS A 92 -22.842 6.149 2.301 1.00 0.00 C ATOM 1399 CE1 HIS A 92 -24.638 5.246 1.424 1.00 0.00 C ATOM 1400 NE2 HIS A 92 -24.214 6.096 2.343 1.00 0.00 N ATOM 0 H HIS A 92 -19.420 4.408 -0.934 1.00 0.00 H new ATOM 0 HA HIS A 92 -21.239 6.420 -0.731 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -21.107 4.008 0.302 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -20.408 4.813 1.693 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -22.205 6.752 2.930 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -25.669 4.996 1.222 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -24.809 6.626 2.980 1.00 0.00 H new ATOM 1409 N HIS A 93 -18.714 6.937 1.333 1.00 0.00 N ATOM 1410 CA HIS A 93 -18.061 7.948 2.156 1.00 0.00 C ATOM 1411 C HIS A 93 -17.940 9.268 1.402 1.00 0.00 C ATOM 1412 O HIS A 93 -18.129 10.341 1.975 1.00 0.00 O ATOM 1413 CB HIS A 93 -16.676 7.467 2.589 1.00 0.00 C ATOM 1414 CG HIS A 93 -16.697 6.606 3.816 1.00 0.00 C ATOM 1415 ND1 HIS A 93 -17.628 6.753 4.823 1.00 0.00 N ATOM 1416 CD2 HIS A 93 -15.896 5.581 4.192 1.00 0.00 C ATOM 1417 CE1 HIS A 93 -17.397 5.857 5.766 1.00 0.00 C ATOM 1418 NE2 HIS A 93 -16.352 5.133 5.408 1.00 0.00 N ATOM 0 H HIS A 93 -18.197 6.062 1.251 1.00 0.00 H new ATOM 0 HA HIS A 93 -18.675 8.111 3.042 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -16.222 6.908 1.771 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -16.041 8.333 2.774 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -18.377 7.445 4.837 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -15.055 5.189 3.639 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -17.966 5.737 6.676 1.00 0.00 H new ATOM 1427 N SER A 94 -17.624 9.181 0.114 1.00 0.00 N ATOM 1428 CA SER A 94 -17.474 10.369 -0.719 1.00 0.00 C ATOM 1429 C SER A 94 -18.553 11.398 -0.397 1.00 0.00 C ATOM 1430 O SER A 94 -18.294 12.601 -0.375 1.00 0.00 O ATOM 1431 CB SER A 94 -17.539 9.991 -2.200 1.00 0.00 C ATOM 1432 OG SER A 94 -16.765 10.880 -2.988 1.00 0.00 O ATOM 0 H SER A 94 -17.467 8.300 -0.376 1.00 0.00 H new ATOM 0 HA SER A 94 -16.500 10.811 -0.507 1.00 0.00 H new ATOM 0 HB2 SER A 94 -17.177 8.972 -2.335 1.00 0.00 H new ATOM 0 HB3 SER A 94 -18.575 10.009 -2.538 1.00 0.00 H new ATOM 0 HG SER A 94 -16.822 10.616 -3.930 1.00 0.00 H new ATOM 1438 N THR A 95 -19.766 10.914 -0.148 1.00 0.00 N ATOM 1439 CA THR A 95 -20.888 11.790 0.172 1.00 0.00 C ATOM 1440 C THR A 95 -20.821 12.261 1.621 1.00 0.00 C ATOM 1441 O THR A 95 -20.730 13.459 1.891 1.00 0.00 O ATOM 1442 CB THR A 95 -22.236 11.086 -0.065 1.00 0.00 C ATOM 1443 OG1 THR A 95 -22.288 10.564 -1.398 1.00 0.00 O ATOM 1444 CG2 THR A 95 -23.395 12.048 0.153 1.00 0.00 C ATOM 0 H THR A 95 -19.997 9.921 -0.162 1.00 0.00 H new ATOM 0 HA THR A 95 -20.816 12.652 -0.492 1.00 0.00 H new ATOM 0 HB THR A 95 -22.324 10.268 0.650 1.00 0.00 H new ATOM 0 HG1 THR A 95 -23.148 10.116 -1.541 1.00 0.00 H new ATOM 0 HG21 THR A 95 -24.337 11.528 -0.020 1.00 0.00 H new ATOM 0 HG22 THR A 95 -23.370 12.422 1.177 1.00 0.00 H new ATOM 0 HG23 THR A 95 -23.309 12.884 -0.541 1.00 0.00 H new ATOM 1452 N VAL A 96 -20.867 11.312 2.549 1.00 0.00 N ATOM 1453 CA VAL A 96 -20.811 11.630 3.972 1.00 0.00 C ATOM 1454 C VAL A 96 -19.659 10.902 4.652 1.00 0.00 C ATOM 1455 O VAL A 96 -19.355 9.754 4.325 1.00 0.00 O ATOM 1456 CB VAL A 96 -22.128 11.261 4.682 1.00 0.00 C ATOM 1457 CG1 VAL A 96 -22.324 9.752 4.696 1.00 0.00 C ATOM 1458 CG2 VAL A 96 -22.144 11.822 6.095 1.00 0.00 C ATOM 0 H VAL A 96 -20.943 10.316 2.342 1.00 0.00 H new ATOM 0 HA VAL A 96 -20.654 12.706 4.050 1.00 0.00 H new ATOM 0 HB VAL A 96 -22.956 11.705 4.129 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -23.259 9.511 5.202 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -22.359 9.380 3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -21.494 9.282 5.225 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -23.081 11.553 6.583 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -21.309 11.409 6.660 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -22.054 12.908 6.056 1.00 0.00 H new ATOM 1468 N ALA A 97 -19.019 11.576 5.603 1.00 0.00 N ATOM 1469 CA ALA A 97 -17.900 10.992 6.332 1.00 0.00 C ATOM 1470 C ALA A 97 -18.315 9.704 7.037 1.00 0.00 C ATOM 1471 O ALA A 97 -17.789 8.631 6.748 1.00 0.00 O ATOM 1472 CB ALA A 97 -17.346 11.991 7.336 1.00 0.00 C ATOM 0 H ALA A 97 -19.257 12.527 5.886 1.00 0.00 H new ATOM 0 HA ALA A 97 -17.119 10.745 5.613 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -16.511 11.542 7.873 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -17.002 12.882 6.811 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -18.127 12.266 8.044 1.00 0.00 H new ATOM 1478 N ASP A 98 -19.262 9.822 7.960 1.00 0.00 N ATOM 1479 CA ASP A 98 -19.749 8.667 8.707 1.00 0.00 C ATOM 1480 C ASP A 98 -18.587 7.836 9.242 1.00 0.00 C ATOM 1481 O ASP A 98 -18.535 6.623 9.044 1.00 0.00 O ATOM 1482 CB ASP A 98 -20.646 7.802 7.820 1.00 0.00 C ATOM 1483 CG ASP A 98 -21.491 6.831 8.623 1.00 0.00 C ATOM 1484 OD1 ASP A 98 -21.691 5.691 8.155 1.00 0.00 O ATOM 1485 OD2 ASP A 98 -21.950 7.212 9.719 1.00 0.00 O ATOM 0 H ASP A 98 -19.708 10.705 8.210 1.00 0.00 H new ATOM 0 HA ASP A 98 -20.331 9.031 9.554 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -21.299 8.446 7.231 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -20.028 7.245 7.116 1.00 0.00 H new ATOM 1491 N GLY A 99 -17.655 8.499 9.918 1.00 0.00 N ATOM 1492 CA GLY A 99 -16.505 7.806 10.471 1.00 0.00 C ATOM 1493 C GLY A 99 -15.214 8.577 10.277 1.00 0.00 C ATOM 1494 O GLY A 99 -14.621 9.061 11.241 1.00 0.00 O ATOM 0 H GLY A 99 -17.675 9.504 10.093 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.666 7.634 11.535 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.414 6.827 10.000 1.00 0.00 H new ATOM 1498 N LEU A 100 -14.778 8.694 9.028 1.00 0.00 N ATOM 1499 CA LEU A 100 -13.548 9.410 8.709 1.00 0.00 C ATOM 1500 C LEU A 100 -13.567 10.813 9.306 1.00 0.00 C ATOM 1501 O LEU A 100 -14.526 11.203 9.973 1.00 0.00 O ATOM 1502 CB LEU A 100 -13.357 9.490 7.193 1.00 0.00 C ATOM 1503 CG LEU A 100 -12.960 8.188 6.498 1.00 0.00 C ATOM 1504 CD1 LEU A 100 -14.058 7.145 6.646 1.00 0.00 C ATOM 1505 CD2 LEU A 100 -12.657 8.440 5.028 1.00 0.00 C ATOM 0 H LEU A 100 -15.259 8.302 8.218 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.713 8.860 9.144 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -14.286 9.848 6.748 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.593 10.239 6.982 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.058 7.805 6.975 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -13.756 6.225 6.145 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -14.228 6.943 7.704 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -14.978 7.519 6.196 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.376 7.502 4.548 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -13.542 8.847 4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.836 9.152 4.943 1.00 0.00 H new ATOM 1517 N VAL A 101 -12.503 11.571 9.059 1.00 0.00 N ATOM 1518 CA VAL A 101 -12.398 12.933 9.568 1.00 0.00 C ATOM 1519 C VAL A 101 -13.152 13.912 8.676 1.00 0.00 C ATOM 1520 O VAL A 101 -13.629 14.949 9.138 1.00 0.00 O ATOM 1521 CB VAL A 101 -10.928 13.380 9.676 1.00 0.00 C ATOM 1522 CG1 VAL A 101 -10.075 12.271 10.272 1.00 0.00 C ATOM 1523 CG2 VAL A 101 -10.398 13.799 8.312 1.00 0.00 C ATOM 0 H VAL A 101 -11.701 11.264 8.509 1.00 0.00 H new ATOM 0 HA VAL A 101 -12.844 12.935 10.563 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.876 14.242 10.341 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.040 12.605 10.340 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -10.443 12.024 11.268 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.130 11.388 9.636 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -9.358 14.112 8.406 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.463 12.957 7.622 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -10.993 14.628 7.929 1.00 0.00 H new ATOM 1533 N THR A 102 -13.256 13.577 7.394 1.00 0.00 N ATOM 1534 CA THR A 102 -13.952 14.427 6.435 1.00 0.00 C ATOM 1535 C THR A 102 -14.327 13.648 5.180 1.00 0.00 C ATOM 1536 O THR A 102 -13.686 12.653 4.840 1.00 0.00 O ATOM 1537 CB THR A 102 -13.093 15.641 6.035 1.00 0.00 C ATOM 1538 OG1 THR A 102 -13.888 16.586 5.311 1.00 0.00 O ATOM 1539 CG2 THR A 102 -11.908 15.209 5.184 1.00 0.00 C ATOM 0 H THR A 102 -12.867 12.723 6.995 1.00 0.00 H new ATOM 0 HA THR A 102 -14.860 14.779 6.925 1.00 0.00 H new ATOM 0 HB THR A 102 -12.715 16.107 6.945 1.00 0.00 H new ATOM 0 HG1 THR A 102 -13.335 17.356 5.062 1.00 0.00 H new ATOM 0 HG21 THR A 102 -11.316 16.083 4.914 1.00 0.00 H new ATOM 0 HG22 THR A 102 -11.289 14.512 5.749 1.00 0.00 H new ATOM 0 HG23 THR A 102 -12.269 14.721 4.278 1.00 0.00 H new ATOM 1547 N THR A 103 -15.369 14.107 4.493 1.00 0.00 N ATOM 1548 CA THR A 103 -15.828 13.453 3.275 1.00 0.00 C ATOM 1549 C THR A 103 -14.721 13.392 2.231 1.00 0.00 C ATOM 1550 O THR A 103 -14.130 14.413 1.877 1.00 0.00 O ATOM 1551 CB THR A 103 -17.046 14.179 2.673 1.00 0.00 C ATOM 1552 OG1 THR A 103 -16.764 15.576 2.536 1.00 0.00 O ATOM 1553 CG2 THR A 103 -18.278 13.988 3.546 1.00 0.00 C ATOM 0 H THR A 103 -15.910 14.929 4.760 1.00 0.00 H new ATOM 0 HA THR A 103 -16.117 12.439 3.552 1.00 0.00 H new ATOM 0 HB THR A 103 -17.247 13.751 1.691 1.00 0.00 H new ATOM 0 HG1 THR A 103 -15.840 15.695 2.233 1.00 0.00 H new ATOM 0 HG21 THR A 103 -19.125 14.510 3.100 1.00 0.00 H new ATOM 0 HG22 THR A 103 -18.507 12.925 3.624 1.00 0.00 H new ATOM 0 HG23 THR A 103 -18.086 14.392 4.540 1.00 0.00 H new ATOM 1561 N LEU A 104 -14.441 12.189 1.740 1.00 0.00 N ATOM 1562 CA LEU A 104 -13.402 11.996 0.734 1.00 0.00 C ATOM 1563 C LEU A 104 -13.649 12.883 -0.482 1.00 0.00 C ATOM 1564 O LEU A 104 -14.636 12.711 -1.200 1.00 0.00 O ATOM 1565 CB LEU A 104 -13.348 10.528 0.305 1.00 0.00 C ATOM 1566 CG LEU A 104 -13.050 9.516 1.412 1.00 0.00 C ATOM 1567 CD1 LEU A 104 -13.252 8.095 0.905 1.00 0.00 C ATOM 1568 CD2 LEU A 104 -11.633 9.701 1.936 1.00 0.00 C ATOM 0 H LEU A 104 -14.919 11.333 2.022 1.00 0.00 H new ATOM 0 HA LEU A 104 -12.446 12.276 1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -14.304 10.268 -0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.588 10.424 -0.469 1.00 0.00 H new ATOM 0 HG LEU A 104 -13.745 9.689 2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.035 7.389 1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -14.284 7.968 0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.581 7.909 0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -11.438 8.973 2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.922 9.555 1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -11.522 10.708 2.338 1.00 0.00 H new ATOM 1580 N HIS A 105 -12.746 13.833 -0.709 1.00 0.00 N ATOM 1581 CA HIS A 105 -12.864 14.746 -1.839 1.00 0.00 C ATOM 1582 C HIS A 105 -12.315 14.108 -3.112 1.00 0.00 C ATOM 1583 O HIS A 105 -13.037 13.943 -4.096 1.00 0.00 O ATOM 1584 CB HIS A 105 -12.121 16.051 -1.548 1.00 0.00 C ATOM 1585 CG HIS A 105 -12.394 16.603 -0.182 1.00 0.00 C ATOM 1586 ND1 HIS A 105 -11.407 17.104 0.638 1.00 0.00 N ATOM 1587 CD2 HIS A 105 -13.555 16.732 0.505 1.00 0.00 C ATOM 1588 CE1 HIS A 105 -11.948 17.518 1.771 1.00 0.00 C ATOM 1589 NE2 HIS A 105 -13.249 17.303 1.715 1.00 0.00 N ATOM 0 H HIS A 105 -11.925 13.990 -0.125 1.00 0.00 H new ATOM 0 HA HIS A 105 -13.921 14.964 -1.989 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -11.050 15.881 -1.655 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -12.402 16.794 -2.294 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -14.537 16.440 0.164 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -11.416 17.958 2.602 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -13.919 17.525 2.452 1.00 0.00 H new ATOM 1598 N TYR A 106 -11.036 13.752 -3.085 1.00 0.00 N ATOM 1599 CA TYR A 106 -10.390 13.136 -4.239 1.00 0.00 C ATOM 1600 C TYR A 106 -9.458 12.011 -3.803 1.00 0.00 C ATOM 1601 O TYR A 106 -8.686 12.140 -2.854 1.00 0.00 O ATOM 1602 CB TYR A 106 -9.606 14.184 -5.031 1.00 0.00 C ATOM 1603 CG TYR A 106 -10.421 15.405 -5.393 1.00 0.00 C ATOM 1604 CD1 TYR A 106 -11.163 15.447 -6.567 1.00 0.00 C ATOM 1605 CD2 TYR A 106 -10.449 16.517 -4.561 1.00 0.00 C ATOM 1606 CE1 TYR A 106 -11.911 16.560 -6.902 1.00 0.00 C ATOM 1607 CE2 TYR A 106 -11.194 17.635 -4.887 1.00 0.00 C ATOM 1608 CZ TYR A 106 -11.922 17.650 -6.059 1.00 0.00 C ATOM 1609 OH TYR A 106 -12.664 18.763 -6.387 1.00 0.00 O ATOM 0 H TYR A 106 -10.426 13.879 -2.278 1.00 0.00 H new ATOM 0 HA TYR A 106 -11.167 12.715 -4.877 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.740 14.496 -4.447 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -9.226 13.727 -5.945 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -11.155 14.594 -7.230 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.879 16.508 -3.644 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -12.483 16.575 -7.818 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -11.206 18.491 -4.229 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.564 19.441 -5.686 1.00 0.00 H new ATOM 1619 N PRO A 107 -9.531 10.874 -4.515 1.00 0.00 N ATOM 1620 CA PRO A 107 -8.701 9.703 -4.222 1.00 0.00 C ATOM 1621 C PRO A 107 -7.231 9.936 -4.559 1.00 0.00 C ATOM 1622 O PRO A 107 -6.801 11.071 -4.750 1.00 0.00 O ATOM 1623 CB PRO A 107 -9.291 8.617 -5.125 1.00 0.00 C ATOM 1624 CG PRO A 107 -9.924 9.362 -6.249 1.00 0.00 C ATOM 1625 CD PRO A 107 -10.429 10.649 -5.660 1.00 0.00 C ATOM 0 HA PRO A 107 -8.713 9.449 -3.162 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -8.518 7.939 -5.485 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -10.022 8.011 -4.590 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -9.204 9.553 -7.045 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -10.740 8.787 -6.688 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -10.378 11.467 -6.378 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -11.469 10.566 -5.345 1.00 0.00 H new ATOM 1633 N ALA A 108 -6.467 8.849 -4.628 1.00 0.00 N ATOM 1634 CA ALA A 108 -5.046 8.936 -4.944 1.00 0.00 C ATOM 1635 C ALA A 108 -4.829 9.190 -6.432 1.00 0.00 C ATOM 1636 O ALA A 108 -5.717 8.984 -7.258 1.00 0.00 O ATOM 1637 CB ALA A 108 -4.333 7.662 -4.514 1.00 0.00 C ATOM 0 H ALA A 108 -6.808 7.901 -4.470 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.626 9.778 -4.394 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -3.273 7.739 -4.755 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.451 7.524 -3.439 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.763 6.809 -5.039 1.00 0.00 H new