USER MOD reduce.3.24.130724 H: found=0, std=0, add=889, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 889 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 54 THR OG1 : rot -140:sc= 0.00849 USER MOD Set 1.2: A 84 GLN : amide:sc= 0.00746 X(o=0.016,f=0.0011) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= -0.117 (180deg=-0.285) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.0447 X(o=-0.045,f=-0.4) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 MET CE :methyl -123:sc= 0 (180deg=-0.525) USER MOD Single : A 14 SER OG : rot 46:sc= 0.00208 USER MOD Single : A 16 ASN :FLIP amide:sc= -0.102 F(o=-0.69,f=-0.1) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 160:sc= -0.103 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -170:sc= 1.17 USER MOD Single : A 48 THR OG1 : rot -34:sc= 1.22 USER MOD Single : A 52 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0142) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS :FLIP no HD1:sc= -2.95! C(o=-4!,f=-3!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -14! C(o=-14!,f=-15!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -5.43! C(o=-5.4!,f=-7.6!) USER MOD Single : A 76 THR OG1 : rot -179:sc= 0.626 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN :FLIP amide:sc= -0.234 F(o=-1.1,f=-0.23) USER MOD Single : A 86 ASN : amide:sc= -2.3! C(o=-2.3!,f=-6.4!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -32:sc= -0.0628 USER MOD Single : A 92 LYS NZ :NH3+ -148:sc= 0.125 (180deg=0) USER MOD Single : A 97 SER OG : rot 36:sc= 0.0914 USER MOD Single : A 104 SER OG : rot -121:sc= 0.0763 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.419 X(o=-0.42,f=-0.05) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.0796 USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.0371 USER MOD ----------------------------------------------------------------- ATOM 193 N MET A 1 11.216 -2.475 13.875 1.00 0.49 N ATOM 194 CA MET A 1 9.816 -2.971 13.889 1.00 0.49 C ATOM 195 C MET A 1 9.173 -2.833 12.514 1.00 0.45 C ATOM 196 O MET A 1 7.950 -2.896 12.380 1.00 0.44 O ATOM 197 CB MET A 1 8.994 -2.204 14.926 1.00 0.50 C ATOM 198 CG MET A 1 9.416 -2.479 16.359 1.00 0.54 C ATOM 199 SD MET A 1 8.017 -2.842 17.438 1.00 0.57 S ATOM 200 CE MET A 1 8.799 -3.879 18.671 1.00 0.61 C ATOM 0 H1 MET A 1 11.598 -2.485 14.842 1.00 0.49 H new ATOM 0 H2 MET A 1 11.796 -3.089 13.268 1.00 0.49 H new ATOM 0 H3 MET A 1 11.236 -1.503 13.505 1.00 0.49 H new ATOM 0 HA MET A 1 9.835 -4.028 14.156 1.00 0.49 H new ATOM 0 HB2 MET A 1 9.081 -1.136 14.729 1.00 0.50 H new ATOM 0 HB3 MET A 1 7.942 -2.465 14.809 1.00 0.50 H new ATOM 0 HG2 MET A 1 10.109 -3.320 16.374 1.00 0.54 H new ATOM 0 HG3 MET A 1 9.955 -1.615 16.747 1.00 0.54 H new ATOM 0 HE1 MET A 1 8.059 -4.185 19.411 1.00 0.61 H new ATOM 0 HE2 MET A 1 9.219 -4.763 18.190 1.00 0.61 H new ATOM 0 HE3 MET A 1 9.595 -3.321 19.164 1.00 0.61 H new ATOM 212 N GLU A 2 10.003 -2.641 11.494 1.00 0.43 N ATOM 213 CA GLU A 2 9.514 -2.492 10.128 1.00 0.40 C ATOM 214 C GLU A 2 10.060 -3.598 9.231 1.00 0.40 C ATOM 215 O GLU A 2 11.266 -3.845 9.196 1.00 0.42 O ATOM 216 CB GLU A 2 9.908 -1.125 9.565 1.00 0.38 C ATOM 217 CG GLU A 2 11.297 -0.670 9.985 1.00 0.39 C ATOM 218 CD GLU A 2 11.263 0.550 10.883 1.00 0.40 C ATOM 219 OE1 GLU A 2 10.558 1.520 10.541 1.00 0.38 O ATOM 220 OE2 GLU A 2 11.945 0.535 11.930 1.00 0.42 O ATOM 0 H GLU A 2 11.017 -2.585 11.587 1.00 0.43 H new ATOM 0 HA GLU A 2 8.427 -2.568 10.150 1.00 0.40 H new ATOM 0 HB2 GLU A 2 9.861 -1.163 8.477 1.00 0.38 H new ATOM 0 HB3 GLU A 2 9.178 -0.384 9.890 1.00 0.38 H new ATOM 0 HG2 GLU A 2 11.801 -1.485 10.504 1.00 0.39 H new ATOM 0 HG3 GLU A 2 11.886 -0.446 9.096 1.00 0.39 H new ATOM 227 N GLU A 3 9.164 -4.261 8.506 1.00 0.39 N ATOM 228 CA GLU A 3 9.556 -5.342 7.607 1.00 0.40 C ATOM 229 C GLU A 3 9.726 -4.833 6.176 1.00 0.37 C ATOM 230 O GLU A 3 9.385 -3.691 5.869 1.00 0.35 O ATOM 231 CB GLU A 3 8.523 -6.467 7.648 1.00 0.41 C ATOM 232 CG GLU A 3 7.263 -6.177 6.843 1.00 0.38 C ATOM 233 CD GLU A 3 6.052 -6.920 7.372 1.00 0.39 C ATOM 234 OE1 GLU A 3 5.857 -8.092 6.983 1.00 0.41 O ATOM 235 OE2 GLU A 3 5.299 -6.330 8.174 1.00 0.39 O ATOM 0 H GLU A 3 8.162 -4.069 8.523 1.00 0.39 H new ATOM 0 HA GLU A 3 10.516 -5.731 7.945 1.00 0.40 H new ATOM 0 HB2 GLU A 3 8.981 -7.381 7.271 1.00 0.41 H new ATOM 0 HB3 GLU A 3 8.245 -6.654 8.685 1.00 0.41 H new ATOM 0 HG2 GLU A 3 7.064 -5.106 6.860 1.00 0.38 H new ATOM 0 HG3 GLU A 3 7.429 -6.454 5.802 1.00 0.38 H new ATOM 242 N LYS A 4 10.258 -5.690 5.310 1.00 0.39 N ATOM 243 CA LYS A 4 10.479 -5.336 3.912 1.00 0.37 C ATOM 244 C LYS A 4 9.338 -5.843 3.034 1.00 0.36 C ATOM 245 O LYS A 4 8.450 -6.556 3.499 1.00 0.37 O ATOM 246 CB LYS A 4 11.809 -5.915 3.426 1.00 0.41 C ATOM 247 CG LYS A 4 12.119 -7.295 3.983 1.00 0.44 C ATOM 248 CD LYS A 4 12.945 -7.212 5.258 1.00 0.46 C ATOM 249 CE LYS A 4 14.426 -7.408 4.977 1.00 0.49 C ATOM 250 NZ LYS A 4 15.098 -8.177 6.059 1.00 0.52 N ATOM 0 H LYS A 4 10.545 -6.638 5.553 1.00 0.39 H new ATOM 0 HA LYS A 4 10.513 -4.249 3.838 1.00 0.37 H new ATOM 0 HB2 LYS A 4 11.795 -5.968 2.337 1.00 0.41 H new ATOM 0 HB3 LYS A 4 12.614 -5.233 3.702 1.00 0.41 H new ATOM 0 HG2 LYS A 4 11.188 -7.824 4.186 1.00 0.44 H new ATOM 0 HG3 LYS A 4 12.659 -7.877 3.236 1.00 0.44 H new ATOM 0 HD2 LYS A 4 12.789 -6.243 5.731 1.00 0.46 H new ATOM 0 HD3 LYS A 4 12.604 -7.970 5.963 1.00 0.46 H new ATOM 0 HE2 LYS A 4 14.550 -7.931 4.029 1.00 0.49 H new ATOM 0 HE3 LYS A 4 14.907 -6.436 4.870 1.00 0.49 H new ATOM 0 HZ1 LYS A 4 16.106 -8.289 5.830 1.00 0.52 H new ATOM 0 HZ2 LYS A 4 15.002 -7.665 6.959 1.00 0.52 H new ATOM 0 HZ3 LYS A 4 14.656 -9.114 6.145 1.00 0.52 H new ATOM 264 N VAL A 5 9.371 -5.463 1.759 1.00 0.35 N ATOM 265 CA VAL A 5 8.346 -5.874 0.806 1.00 0.34 C ATOM 266 C VAL A 5 8.502 -7.346 0.432 1.00 0.37 C ATOM 267 O VAL A 5 7.515 -8.056 0.249 1.00 0.37 O ATOM 268 CB VAL A 5 8.402 -5.016 -0.475 1.00 0.32 C ATOM 269 CG1 VAL A 5 7.333 -5.447 -1.466 1.00 0.31 C ATOM 270 CG2 VAL A 5 8.252 -3.540 -0.137 1.00 0.29 C ATOM 0 H VAL A 5 10.099 -4.869 1.362 1.00 0.35 H new ATOM 0 HA VAL A 5 7.380 -5.729 1.290 1.00 0.34 H new ATOM 0 HB VAL A 5 9.376 -5.167 -0.940 1.00 0.32 H new ATOM 0 HG11 VAL A 5 7.394 -4.826 -2.360 1.00 0.31 H new ATOM 0 HG12 VAL A 5 7.488 -6.491 -1.738 1.00 0.31 H new ATOM 0 HG13 VAL A 5 6.349 -5.333 -1.012 1.00 0.31 H new ATOM 0 HG21 VAL A 5 8.294 -2.951 -1.053 1.00 0.29 H new ATOM 0 HG22 VAL A 5 7.294 -3.375 0.357 1.00 0.29 H new ATOM 0 HG23 VAL A 5 9.060 -3.235 0.528 1.00 0.29 H new ATOM 280 N GLY A 6 9.749 -7.797 0.328 1.00 0.41 N ATOM 281 CA GLY A 6 10.010 -9.179 -0.025 1.00 0.44 C ATOM 282 C GLY A 6 9.795 -10.130 1.136 1.00 0.46 C ATOM 283 O GLY A 6 10.046 -11.331 1.017 1.00 0.50 O ATOM 0 H GLY A 6 10.582 -7.229 0.482 1.00 0.41 H new ATOM 0 HA2 GLY A 6 9.360 -9.468 -0.851 1.00 0.44 H new ATOM 0 HA3 GLY A 6 11.036 -9.271 -0.380 1.00 0.44 H new ATOM 287 N ASN A 7 9.331 -9.598 2.263 1.00 0.44 N ATOM 288 CA ASN A 7 9.086 -10.409 3.449 1.00 0.47 C ATOM 289 C ASN A 7 7.679 -10.185 3.994 1.00 0.44 C ATOM 290 O ASN A 7 7.288 -10.791 4.993 1.00 0.46 O ATOM 291 CB ASN A 7 10.113 -10.081 4.528 1.00 0.48 C ATOM 292 CG ASN A 7 10.372 -11.249 5.462 1.00 0.52 C ATOM 293 OD1 ASN A 7 10.536 -12.386 5.022 1.00 0.54 O ATOM 294 ND2 ASN A 7 10.411 -10.967 6.759 1.00 0.52 N ATOM 0 H ASN A 7 9.117 -8.607 2.379 1.00 0.44 H new ATOM 0 HA ASN A 7 9.178 -11.457 3.163 1.00 0.47 H new ATOM 0 HB2 ASN A 7 11.049 -9.784 4.055 1.00 0.48 H new ATOM 0 HB3 ASN A 7 9.764 -9.227 5.108 1.00 0.48 H new ATOM 0 HD21 ASN A 7 10.583 -11.709 7.437 1.00 0.52 H new ATOM 0 HD22 ASN A 7 10.269 -10.008 7.077 1.00 0.52 H new ATOM 301 N LEU A 8 6.918 -9.314 3.339 1.00 0.41 N ATOM 302 CA LEU A 8 5.559 -9.016 3.771 1.00 0.39 C ATOM 303 C LEU A 8 4.602 -10.139 3.381 1.00 0.40 C ATOM 304 O LEU A 8 4.869 -10.904 2.454 1.00 0.42 O ATOM 305 CB LEU A 8 5.083 -7.690 3.168 1.00 0.35 C ATOM 306 CG LEU A 8 4.302 -7.811 1.857 1.00 0.33 C ATOM 307 CD1 LEU A 8 2.805 -7.777 2.121 1.00 0.32 C ATOM 308 CD2 LEU A 8 4.694 -6.706 0.895 1.00 0.30 C ATOM 0 H LEU A 8 7.219 -8.804 2.509 1.00 0.41 H new ATOM 0 HA LEU A 8 5.565 -8.930 4.858 1.00 0.39 H new ATOM 0 HB2 LEU A 8 4.456 -7.181 3.900 1.00 0.35 H new ATOM 0 HB3 LEU A 8 5.952 -7.055 2.997 1.00 0.35 H new ATOM 0 HG LEU A 8 4.551 -8.769 1.400 1.00 0.33 H new ATOM 0 HD11 LEU A 8 2.267 -7.864 1.177 1.00 0.32 H new ATOM 0 HD12 LEU A 8 2.532 -8.607 2.773 1.00 0.32 H new ATOM 0 HD13 LEU A 8 2.542 -6.835 2.603 1.00 0.32 H new ATOM 0 HD21 LEU A 8 4.127 -6.811 -0.030 1.00 0.30 H new ATOM 0 HD22 LEU A 8 4.477 -5.737 1.346 1.00 0.30 H new ATOM 0 HD23 LEU A 8 5.760 -6.774 0.677 1.00 0.30 H new ATOM 320 N LYS A 9 3.490 -10.224 4.098 1.00 0.40 N ATOM 321 CA LYS A 9 2.478 -11.236 3.830 1.00 0.42 C ATOM 322 C LYS A 9 1.080 -10.635 3.965 1.00 0.40 C ATOM 323 O LYS A 9 0.883 -9.679 4.716 1.00 0.39 O ATOM 324 CB LYS A 9 2.650 -12.427 4.768 1.00 0.46 C ATOM 325 CG LYS A 9 2.181 -12.166 6.190 1.00 0.47 C ATOM 326 CD LYS A 9 1.153 -13.194 6.633 1.00 0.50 C ATOM 327 CE LYS A 9 1.802 -14.330 7.405 1.00 0.54 C ATOM 328 NZ LYS A 9 1.466 -14.282 8.855 1.00 0.56 N ATOM 0 H LYS A 9 3.265 -9.601 4.874 1.00 0.40 H new ATOM 0 HA LYS A 9 2.602 -11.591 2.807 1.00 0.42 H new ATOM 0 HB2 LYS A 9 2.099 -13.277 4.365 1.00 0.46 H new ATOM 0 HB3 LYS A 9 3.702 -12.711 4.790 1.00 0.46 H new ATOM 0 HG2 LYS A 9 3.035 -12.189 6.866 1.00 0.47 H new ATOM 0 HG3 LYS A 9 1.750 -11.167 6.255 1.00 0.47 H new ATOM 0 HD2 LYS A 9 0.400 -12.712 7.256 1.00 0.50 H new ATOM 0 HD3 LYS A 9 0.636 -13.594 5.760 1.00 0.50 H new ATOM 0 HE2 LYS A 9 1.477 -15.283 6.989 1.00 0.54 H new ATOM 0 HE3 LYS A 9 2.884 -14.281 7.282 1.00 0.54 H new ATOM 0 HZ1 LYS A 9 1.929 -15.074 9.345 1.00 0.56 H new ATOM 0 HZ2 LYS A 9 1.799 -13.383 9.259 1.00 0.56 H new ATOM 0 HZ3 LYS A 9 0.436 -14.355 8.975 1.00 0.56 H new ATOM 342 N PRO A 10 0.088 -11.180 3.238 1.00 0.40 N ATOM 343 CA PRO A 10 -1.283 -10.674 3.282 1.00 0.39 C ATOM 344 C PRO A 10 -2.042 -11.119 4.530 1.00 0.41 C ATOM 345 O PRO A 10 -1.592 -12.009 5.254 1.00 0.45 O ATOM 346 CB PRO A 10 -1.916 -11.283 2.033 1.00 0.38 C ATOM 347 CG PRO A 10 -1.182 -12.563 1.825 1.00 0.42 C ATOM 348 CD PRO A 10 0.222 -12.334 2.325 1.00 0.42 C ATOM 0 HA PRO A 10 -1.310 -9.585 3.314 1.00 0.39 H new ATOM 0 HB2 PRO A 10 -2.983 -11.456 2.174 1.00 0.38 H new ATOM 0 HB3 PRO A 10 -1.811 -10.622 1.173 1.00 0.38 H new ATOM 0 HG2 PRO A 10 -1.660 -13.378 2.369 1.00 0.42 H new ATOM 0 HG3 PRO A 10 -1.178 -12.842 0.771 1.00 0.42 H new ATOM 0 HD2 PRO A 10 0.610 -13.211 2.843 1.00 0.42 H new ATOM 0 HD3 PRO A 10 0.908 -12.118 1.506 1.00 0.42 H new ATOM 356 N ASN A 11 -3.184 -10.475 4.778 1.00 0.41 N ATOM 357 CA ASN A 11 -4.039 -10.802 5.919 1.00 0.44 C ATOM 358 C ASN A 11 -3.423 -10.348 7.238 1.00 0.45 C ATOM 359 O ASN A 11 -3.672 -10.941 8.287 1.00 0.49 O ATOM 360 CB ASN A 11 -4.335 -12.307 5.964 1.00 0.47 C ATOM 361 CG ASN A 11 -5.688 -12.649 5.372 1.00 0.47 C ATOM 362 OD1 ASN A 11 -6.671 -12.815 6.095 1.00 0.50 O ATOM 363 ND2 ASN A 11 -5.748 -12.757 4.048 1.00 0.45 N ATOM 0 H ASN A 11 -3.540 -9.716 4.197 1.00 0.41 H new ATOM 0 HA ASN A 11 -4.976 -10.261 5.784 1.00 0.44 H new ATOM 0 HB2 ASN A 11 -3.558 -12.844 5.420 1.00 0.47 H new ATOM 0 HB3 ASN A 11 -4.296 -12.651 6.998 1.00 0.47 H new ATOM 0 HD21 ASN A 11 -6.633 -12.985 3.595 1.00 0.45 H new ATOM 0 HD22 ASN A 11 -4.909 -12.611 3.486 1.00 0.45 H new ATOM 370 N MET A 12 -2.617 -9.291 7.180 1.00 0.43 N ATOM 371 CA MET A 12 -1.982 -8.751 8.376 1.00 0.44 C ATOM 372 C MET A 12 -2.598 -7.407 8.747 1.00 0.43 C ATOM 373 O MET A 12 -2.637 -6.489 7.929 1.00 0.40 O ATOM 374 CB MET A 12 -0.477 -8.592 8.163 1.00 0.43 C ATOM 375 CG MET A 12 0.248 -9.912 7.965 1.00 0.45 C ATOM 376 SD MET A 12 1.842 -9.959 8.808 1.00 0.47 S ATOM 377 CE MET A 12 2.807 -8.867 7.769 1.00 0.43 C ATOM 0 H MET A 12 -2.389 -8.793 6.319 1.00 0.43 H new ATOM 0 HA MET A 12 -2.147 -9.453 9.193 1.00 0.44 H new ATOM 0 HB2 MET A 12 -0.306 -7.958 7.293 1.00 0.43 H new ATOM 0 HB3 MET A 12 -0.049 -8.076 9.022 1.00 0.43 H new ATOM 0 HG2 MET A 12 -0.378 -10.725 8.333 1.00 0.45 H new ATOM 0 HG3 MET A 12 0.399 -10.083 6.899 1.00 0.45 H new ATOM 0 HE1 MET A 12 3.686 -9.397 7.401 1.00 0.43 H new ATOM 0 HE2 MET A 12 2.201 -8.539 6.924 1.00 0.43 H new ATOM 0 HE3 MET A 12 3.123 -7.999 8.348 1.00 0.43 H new ATOM 387 N GLU A 13 -3.078 -7.299 9.981 1.00 0.47 N ATOM 388 CA GLU A 13 -3.696 -6.065 10.451 1.00 0.47 C ATOM 389 C GLU A 13 -2.637 -5.078 10.933 1.00 0.46 C ATOM 390 O GLU A 13 -2.949 -4.099 11.613 1.00 0.48 O ATOM 391 CB GLU A 13 -4.691 -6.357 11.575 1.00 0.51 C ATOM 392 CG GLU A 13 -5.254 -7.770 11.546 1.00 0.53 C ATOM 393 CD GLU A 13 -6.660 -7.849 12.109 1.00 0.56 C ATOM 394 OE1 GLU A 13 -7.460 -6.928 11.840 1.00 0.55 O ATOM 395 OE2 GLU A 13 -6.960 -8.832 12.818 1.00 0.59 O ATOM 0 H GLU A 13 -3.051 -8.049 10.672 1.00 0.47 H new ATOM 0 HA GLU A 13 -4.232 -5.617 9.615 1.00 0.47 H new ATOM 0 HB2 GLU A 13 -4.200 -6.191 12.534 1.00 0.51 H new ATOM 0 HB3 GLU A 13 -5.515 -5.646 11.512 1.00 0.51 H new ATOM 0 HG2 GLU A 13 -5.257 -8.135 10.519 1.00 0.53 H new ATOM 0 HG3 GLU A 13 -4.600 -8.429 12.117 1.00 0.53 H new ATOM 402 N SER A 14 -1.385 -5.343 10.576 1.00 0.45 N ATOM 403 CA SER A 14 -0.279 -4.479 10.968 1.00 0.44 C ATOM 404 C SER A 14 0.909 -4.679 10.035 1.00 0.41 C ATOM 405 O SER A 14 1.494 -5.761 9.980 1.00 0.42 O ATOM 406 CB SER A 14 0.136 -4.772 12.410 1.00 0.48 C ATOM 407 OG SER A 14 0.089 -6.162 12.685 1.00 0.50 O ATOM 0 H SER A 14 -1.111 -6.150 10.015 1.00 0.45 H new ATOM 0 HA SER A 14 -0.610 -3.443 10.898 1.00 0.44 H new ATOM 0 HB2 SER A 14 1.145 -4.398 12.584 1.00 0.48 H new ATOM 0 HB3 SER A 14 -0.523 -4.240 13.096 1.00 0.48 H new ATOM 0 HG SER A 14 0.511 -6.655 11.951 1.00 0.50 H new ATOM 413 N VAL A 15 1.265 -3.628 9.301 1.00 0.38 N ATOM 414 CA VAL A 15 2.385 -3.696 8.367 1.00 0.35 C ATOM 415 C VAL A 15 3.204 -2.409 8.376 1.00 0.34 C ATOM 416 O VAL A 15 2.740 -1.360 7.934 1.00 0.32 O ATOM 417 CB VAL A 15 1.913 -3.964 6.922 1.00 0.32 C ATOM 418 CG1 VAL A 15 2.905 -4.858 6.193 1.00 0.32 C ATOM 419 CG2 VAL A 15 0.521 -4.579 6.900 1.00 0.34 C ATOM 0 H VAL A 15 0.796 -2.723 9.335 1.00 0.38 H new ATOM 0 HA VAL A 15 3.006 -4.526 8.704 1.00 0.35 H new ATOM 0 HB VAL A 15 1.862 -3.006 6.404 1.00 0.32 H new ATOM 0 HG11 VAL A 15 2.555 -5.036 5.176 1.00 0.32 H new ATOM 0 HG12 VAL A 15 3.879 -4.370 6.162 1.00 0.32 H new ATOM 0 HG13 VAL A 15 2.992 -5.809 6.718 1.00 0.32 H new ATOM 0 HG21 VAL A 15 0.217 -4.756 5.868 1.00 0.34 H new ATOM 0 HG22 VAL A 15 0.532 -5.525 7.442 1.00 0.34 H new ATOM 0 HG23 VAL A 15 -0.185 -3.898 7.374 1.00 0.34 H new ATOM 429 N ASN A 16 4.427 -2.506 8.883 1.00 0.35 N ATOM 430 CA ASN A 16 5.336 -1.366 8.940 1.00 0.34 C ATOM 431 C ASN A 16 6.442 -1.544 7.908 1.00 0.33 C ATOM 432 O ASN A 16 7.097 -2.586 7.874 1.00 0.34 O ATOM 433 CB ASN A 16 5.932 -1.239 10.337 1.00 0.38 C ATOM 434 CG ASN A 16 5.660 0.116 10.962 1.00 0.39 C ATOM 435 OD1 ASN A 16 6.101 1.175 10.295 1.00 0.41 O flip ATOM 436 ND2 ASN A 16 5.062 0.208 12.034 1.00 0.37 N flip ATOM 0 H ASN A 16 4.815 -3.369 9.264 1.00 0.35 H new ATOM 0 HA ASN A 16 4.783 -0.454 8.716 1.00 0.34 H new ATOM 0 HB2 ASN A 16 5.521 -2.020 10.977 1.00 0.38 H new ATOM 0 HB3 ASN A 16 7.008 -1.403 10.286 1.00 0.38 H new ATOM 0 HD21 ASN A 16 4.741 -0.633 12.513 1.00 0.37 H new ATOM 0 HD22 ASN A 16 4.888 1.126 12.444 1.00 0.37 H new ATOM 443 N VAL A 17 6.651 -0.538 7.065 1.00 0.30 N ATOM 444 CA VAL A 17 7.665 -0.643 6.022 1.00 0.29 C ATOM 445 C VAL A 17 8.089 0.725 5.478 1.00 0.27 C ATOM 446 O VAL A 17 7.319 1.681 5.506 1.00 0.26 O ATOM 447 CB VAL A 17 7.129 -1.514 4.866 1.00 0.27 C ATOM 448 CG1 VAL A 17 5.686 -1.141 4.554 1.00 0.25 C ATOM 449 CG2 VAL A 17 8.001 -1.397 3.623 1.00 0.27 C ATOM 0 H VAL A 17 6.141 0.345 7.082 1.00 0.30 H new ATOM 0 HA VAL A 17 8.546 -1.104 6.469 1.00 0.29 H new ATOM 0 HB VAL A 17 7.162 -2.555 5.186 1.00 0.27 H new ATOM 0 HG11 VAL A 17 5.318 -1.762 3.737 1.00 0.25 H new ATOM 0 HG12 VAL A 17 5.069 -1.302 5.438 1.00 0.25 H new ATOM 0 HG13 VAL A 17 5.636 -0.092 4.263 1.00 0.25 H new ATOM 0 HG21 VAL A 17 7.592 -2.024 2.831 1.00 0.27 H new ATOM 0 HG22 VAL A 17 8.022 -0.359 3.290 1.00 0.27 H new ATOM 0 HG23 VAL A 17 9.014 -1.723 3.857 1.00 0.27 H new ATOM 459 N THR A 18 9.326 0.795 4.992 1.00 0.28 N ATOM 460 CA THR A 18 9.869 2.018 4.406 1.00 0.27 C ATOM 461 C THR A 18 10.158 1.790 2.928 1.00 0.26 C ATOM 462 O THR A 18 10.859 0.843 2.570 1.00 0.28 O ATOM 463 CB THR A 18 11.165 2.465 5.110 1.00 0.30 C ATOM 464 OG1 THR A 18 11.269 1.840 6.395 1.00 0.32 O ATOM 465 CG2 THR A 18 11.200 3.979 5.272 1.00 0.30 C ATOM 0 H THR A 18 9.977 0.010 4.993 1.00 0.28 H new ATOM 0 HA THR A 18 9.125 2.805 4.533 1.00 0.27 H new ATOM 0 HB THR A 18 12.009 2.162 4.491 1.00 0.30 H new ATOM 0 HG1 THR A 18 12.096 2.129 6.833 1.00 0.32 H new ATOM 0 HG21 THR A 18 12.124 4.270 5.771 1.00 0.30 H new ATOM 0 HG22 THR A 18 11.154 4.451 4.291 1.00 0.30 H new ATOM 0 HG23 THR A 18 10.347 4.301 5.870 1.00 0.30 H new ATOM 473 N VAL A 19 9.622 2.653 2.069 1.00 0.25 N ATOM 474 CA VAL A 19 9.815 2.506 0.630 1.00 0.25 C ATOM 475 C VAL A 19 9.843 3.856 -0.073 1.00 0.25 C ATOM 476 O VAL A 19 9.766 4.908 0.563 1.00 0.25 O ATOM 477 CB VAL A 19 8.696 1.648 -0.001 1.00 0.23 C ATOM 478 CG1 VAL A 19 8.721 0.230 0.547 1.00 0.24 C ATOM 479 CG2 VAL A 19 7.336 2.290 0.234 1.00 0.20 C ATOM 0 H VAL A 19 9.055 3.456 2.342 1.00 0.25 H new ATOM 0 HA VAL A 19 10.777 2.010 0.497 1.00 0.25 H new ATOM 0 HB VAL A 19 8.874 1.596 -1.075 1.00 0.23 H new ATOM 0 HG11 VAL A 19 7.923 -0.352 0.086 1.00 0.24 H new ATOM 0 HG12 VAL A 19 9.683 -0.230 0.321 1.00 0.24 H new ATOM 0 HG13 VAL A 19 8.575 0.255 1.627 1.00 0.24 H new ATOM 0 HG21 VAL A 19 6.559 1.672 -0.217 1.00 0.20 H new ATOM 0 HG22 VAL A 19 7.155 2.376 1.305 1.00 0.20 H new ATOM 0 HG23 VAL A 19 7.319 3.282 -0.218 1.00 0.20 H new ATOM 489 N ARG A 20 9.955 3.814 -1.397 1.00 0.26 N ATOM 490 CA ARG A 20 9.981 5.019 -2.213 1.00 0.27 C ATOM 491 C ARG A 20 8.811 5.017 -3.187 1.00 0.26 C ATOM 492 O ARG A 20 8.341 3.955 -3.601 1.00 0.25 O ATOM 493 CB ARG A 20 11.300 5.110 -2.982 1.00 0.30 C ATOM 494 CG ARG A 20 11.636 6.517 -3.448 1.00 0.32 C ATOM 495 CD ARG A 20 12.706 7.149 -2.573 1.00 0.34 C ATOM 496 NE ARG A 20 13.116 8.460 -3.070 1.00 0.36 N ATOM 497 CZ ARG A 20 14.326 8.722 -3.558 1.00 0.39 C ATOM 498 NH1 ARG A 20 15.246 7.768 -3.613 1.00 0.40 N ATOM 499 NH2 ARG A 20 14.615 9.942 -3.992 1.00 0.42 N ATOM 0 H ARG A 20 10.030 2.948 -1.930 1.00 0.26 H new ATOM 0 HA ARG A 20 9.895 5.886 -1.558 1.00 0.27 H new ATOM 0 HB2 ARG A 20 12.107 4.744 -2.347 1.00 0.30 H new ATOM 0 HB3 ARG A 20 11.252 4.451 -3.849 1.00 0.30 H new ATOM 0 HG2 ARG A 20 11.980 6.487 -4.482 1.00 0.32 H new ATOM 0 HG3 ARG A 20 10.737 7.133 -3.429 1.00 0.32 H new ATOM 0 HD2 ARG A 20 12.329 7.249 -1.555 1.00 0.34 H new ATOM 0 HD3 ARG A 20 13.574 6.491 -2.529 1.00 0.34 H new ATOM 0 HE ARG A 20 12.435 9.219 -3.041 1.00 0.36 H new ATOM 0 HH11 ARG A 20 15.027 6.829 -3.280 1.00 0.40 H new ATOM 0 HH12 ARG A 20 16.172 7.974 -3.988 1.00 0.40 H new ATOM 0 HH21 ARG A 20 13.910 10.678 -3.951 1.00 0.42 H new ATOM 0 HH22 ARG A 20 15.542 10.144 -4.366 1.00 0.42 H new ATOM 513 N VAL A 21 8.341 6.203 -3.552 1.00 0.26 N ATOM 514 CA VAL A 21 7.220 6.319 -4.474 1.00 0.26 C ATOM 515 C VAL A 21 7.633 5.964 -5.899 1.00 0.28 C ATOM 516 O VAL A 21 8.600 6.503 -6.434 1.00 0.31 O ATOM 517 CB VAL A 21 6.620 7.739 -4.462 1.00 0.27 C ATOM 518 CG1 VAL A 21 5.340 7.786 -5.283 1.00 0.27 C ATOM 519 CG2 VAL A 21 6.365 8.197 -3.035 1.00 0.27 C ATOM 0 H VAL A 21 8.717 7.093 -3.225 1.00 0.26 H new ATOM 0 HA VAL A 21 6.463 5.612 -4.134 1.00 0.26 H new ATOM 0 HB VAL A 21 7.339 8.422 -4.916 1.00 0.27 H new ATOM 0 HG11 VAL A 21 4.931 8.796 -5.262 1.00 0.27 H new ATOM 0 HG12 VAL A 21 5.558 7.504 -6.313 1.00 0.27 H new ATOM 0 HG13 VAL A 21 4.612 7.092 -4.863 1.00 0.27 H new ATOM 0 HG21 VAL A 21 5.941 9.201 -3.045 1.00 0.27 H new ATOM 0 HG22 VAL A 21 5.666 7.513 -2.553 1.00 0.27 H new ATOM 0 HG23 VAL A 21 7.304 8.205 -2.482 1.00 0.27 H new ATOM 529 N LEU A 22 6.899 5.039 -6.501 1.00 0.27 N ATOM 530 CA LEU A 22 7.170 4.612 -7.865 1.00 0.30 C ATOM 531 C LEU A 22 6.133 5.197 -8.816 1.00 0.31 C ATOM 532 O LEU A 22 6.375 5.330 -10.016 1.00 0.34 O ATOM 533 CB LEU A 22 7.167 3.085 -7.947 1.00 0.30 C ATOM 534 CG LEU A 22 7.995 2.371 -6.874 1.00 0.29 C ATOM 535 CD1 LEU A 22 8.036 0.874 -7.139 1.00 0.30 C ATOM 536 CD2 LEU A 22 9.407 2.939 -6.812 1.00 0.32 C ATOM 0 H LEU A 22 6.107 4.568 -6.063 1.00 0.27 H new ATOM 0 HA LEU A 22 8.154 4.976 -8.159 1.00 0.30 H new ATOM 0 HB2 LEU A 22 6.137 2.736 -7.880 1.00 0.30 H new ATOM 0 HB3 LEU A 22 7.540 2.789 -8.927 1.00 0.30 H new ATOM 0 HG LEU A 22 7.517 2.539 -5.909 1.00 0.29 H new ATOM 0 HD11 LEU A 22 8.629 0.384 -6.367 1.00 0.30 H new ATOM 0 HD12 LEU A 22 7.022 0.474 -7.127 1.00 0.30 H new ATOM 0 HD13 LEU A 22 8.487 0.689 -8.114 1.00 0.30 H new ATOM 0 HD21 LEU A 22 9.976 2.416 -6.043 1.00 0.32 H new ATOM 0 HD22 LEU A 22 9.895 2.807 -7.778 1.00 0.32 H new ATOM 0 HD23 LEU A 22 9.362 4.001 -6.571 1.00 0.32 H new ATOM 548 N GLU A 23 4.976 5.544 -8.261 1.00 0.29 N ATOM 549 CA GLU A 23 3.883 6.117 -9.037 1.00 0.30 C ATOM 550 C GLU A 23 2.867 6.780 -8.115 1.00 0.28 C ATOM 551 O GLU A 23 2.901 6.582 -6.899 1.00 0.25 O ATOM 552 CB GLU A 23 3.202 5.039 -9.882 1.00 0.29 C ATOM 553 CG GLU A 23 2.536 5.581 -11.138 1.00 0.32 C ATOM 554 CD GLU A 23 3.306 5.241 -12.398 1.00 0.36 C ATOM 555 OE1 GLU A 23 4.403 5.802 -12.594 1.00 0.38 O ATOM 556 OE2 GLU A 23 2.810 4.412 -13.191 1.00 0.36 O ATOM 0 H GLU A 23 4.771 5.437 -7.268 1.00 0.29 H new ATOM 0 HA GLU A 23 4.296 6.873 -9.704 1.00 0.30 H new ATOM 0 HB2 GLU A 23 3.942 4.291 -10.167 1.00 0.29 H new ATOM 0 HB3 GLU A 23 2.453 4.531 -9.274 1.00 0.29 H new ATOM 0 HG2 GLU A 23 1.527 5.177 -11.213 1.00 0.32 H new ATOM 0 HG3 GLU A 23 2.440 6.664 -11.056 1.00 0.32 H new ATOM 563 N ALA A 24 1.964 7.563 -8.692 1.00 0.30 N ATOM 564 CA ALA A 24 0.945 8.250 -7.909 1.00 0.29 C ATOM 565 C ALA A 24 -0.197 8.738 -8.792 1.00 0.32 C ATOM 566 O ALA A 24 0.025 9.428 -9.787 1.00 0.35 O ATOM 567 CB ALA A 24 1.566 9.417 -7.157 1.00 0.31 C ATOM 0 H ALA A 24 1.916 7.738 -9.696 1.00 0.30 H new ATOM 0 HA ALA A 24 0.532 7.540 -7.192 1.00 0.29 H new ATOM 0 HB1 ALA A 24 0.797 9.925 -6.574 1.00 0.31 H new ATOM 0 HB2 ALA A 24 2.343 9.047 -6.488 1.00 0.31 H new ATOM 0 HB3 ALA A 24 2.003 10.117 -7.869 1.00 0.31 H new ATOM 573 N SER A 25 -1.422 8.375 -8.420 1.00 0.30 N ATOM 574 CA SER A 25 -2.603 8.782 -9.173 1.00 0.33 C ATOM 575 C SER A 25 -3.461 9.738 -8.349 1.00 0.35 C ATOM 576 O SER A 25 -3.443 9.697 -7.119 1.00 0.33 O ATOM 577 CB SER A 25 -3.423 7.557 -9.583 1.00 0.31 C ATOM 578 OG SER A 25 -3.917 7.694 -10.904 1.00 0.33 O ATOM 0 H SER A 25 -1.622 7.800 -7.602 1.00 0.30 H new ATOM 0 HA SER A 25 -2.273 9.300 -10.074 1.00 0.33 H new ATOM 0 HB2 SER A 25 -2.805 6.662 -9.513 1.00 0.31 H new ATOM 0 HB3 SER A 25 -4.255 7.424 -8.892 1.00 0.31 H new ATOM 0 HG SER A 25 -4.436 6.898 -11.143 1.00 0.33 H new ATOM 584 N GLU A 26 -4.210 10.596 -9.035 1.00 0.38 N ATOM 585 CA GLU A 26 -5.071 11.562 -8.365 1.00 0.41 C ATOM 586 C GLU A 26 -6.196 10.860 -7.610 1.00 0.39 C ATOM 587 O GLU A 26 -6.527 9.710 -7.899 1.00 0.37 O ATOM 588 CB GLU A 26 -5.659 12.544 -9.381 1.00 0.44 C ATOM 589 CG GLU A 26 -4.629 13.122 -10.337 1.00 0.46 C ATOM 590 CD GLU A 26 -3.689 14.102 -9.661 1.00 0.47 C ATOM 591 OE1 GLU A 26 -4.184 15.090 -9.078 1.00 0.50 O ATOM 592 OE2 GLU A 26 -2.461 13.882 -9.712 1.00 0.46 O ATOM 0 H GLU A 26 -4.237 10.641 -10.054 1.00 0.38 H new ATOM 0 HA GLU A 26 -4.464 12.112 -7.646 1.00 0.41 H new ATOM 0 HB2 GLU A 26 -6.433 12.037 -9.957 1.00 0.44 H new ATOM 0 HB3 GLU A 26 -6.144 13.360 -8.846 1.00 0.44 H new ATOM 0 HG2 GLU A 26 -4.048 12.310 -10.773 1.00 0.46 H new ATOM 0 HG3 GLU A 26 -5.142 13.624 -11.158 1.00 0.46 H new ATOM 599 N ALA A 27 -6.666 11.515 -6.573 1.00 0.41 N ATOM 600 CA ALA A 27 -7.668 10.948 -5.701 1.00 0.41 C ATOM 601 C ALA A 27 -9.071 10.975 -6.316 1.00 0.44 C ATOM 602 O ALA A 27 -9.586 12.027 -6.696 1.00 0.48 O ATOM 603 CB ALA A 27 -7.560 11.658 -4.365 1.00 0.43 C ATOM 0 H ALA A 27 -6.365 12.454 -6.311 1.00 0.41 H new ATOM 0 HA ALA A 27 -7.485 9.884 -5.550 1.00 0.41 H new ATOM 0 HB1 ALA A 27 -8.304 11.255 -3.678 1.00 0.43 H new ATOM 0 HB2 ALA A 27 -6.563 11.505 -3.951 1.00 0.43 H new ATOM 0 HB3 ALA A 27 -7.735 12.725 -4.505 1.00 0.43 H new ATOM 609 N ARG A 28 -9.673 9.781 -6.397 1.00 0.41 N ATOM 610 CA ARG A 28 -10.993 9.587 -7.007 1.00 0.43 C ATOM 611 C ARG A 28 -11.973 8.902 -6.039 1.00 0.43 C ATOM 612 O ARG A 28 -11.566 8.251 -5.081 1.00 0.44 O ATOM 613 CB ARG A 28 -10.819 8.742 -8.287 1.00 0.42 C ATOM 614 CG ARG A 28 -12.082 8.041 -8.773 1.00 0.56 C ATOM 615 CD ARG A 28 -11.785 6.646 -9.305 1.00 0.65 C ATOM 616 NE ARG A 28 -12.996 5.832 -9.418 1.00 0.86 N ATOM 617 CZ ARG A 28 -13.059 4.536 -9.105 1.00 1.02 C ATOM 618 NH1 ARG A 28 -11.980 3.895 -8.675 1.00 1.03 N ATOM 619 NH2 ARG A 28 -14.206 3.880 -9.224 1.00 1.24 N ATOM 0 H ARG A 28 -9.256 8.921 -6.040 1.00 0.41 H new ATOM 0 HA ARG A 28 -11.418 10.561 -7.251 1.00 0.43 H new ATOM 0 HB2 ARG A 28 -10.451 9.388 -9.084 1.00 0.42 H new ATOM 0 HB3 ARG A 28 -10.051 7.990 -8.106 1.00 0.42 H new ATOM 0 HG2 ARG A 28 -12.798 7.973 -7.954 1.00 0.56 H new ATOM 0 HG3 ARG A 28 -12.550 8.637 -9.557 1.00 0.56 H new ATOM 0 HD2 ARG A 28 -11.309 6.725 -10.282 1.00 0.65 H new ATOM 0 HD3 ARG A 28 -11.075 6.149 -8.644 1.00 0.65 H new ATOM 0 HE ARG A 28 -13.845 6.284 -9.757 1.00 0.86 H new ATOM 0 HH11 ARG A 28 -11.095 4.393 -8.582 1.00 1.03 H new ATOM 0 HH12 ARG A 28 -12.036 2.905 -8.438 1.00 1.03 H new ATOM 0 HH21 ARG A 28 -15.040 4.366 -9.555 1.00 1.24 H new ATOM 0 HH22 ARG A 28 -14.254 2.890 -8.985 1.00 1.24 H new ATOM 633 N GLN A 29 -13.269 9.058 -6.311 1.00 0.45 N ATOM 634 CA GLN A 29 -14.323 8.465 -5.494 1.00 0.46 C ATOM 635 C GLN A 29 -14.684 7.060 -5.968 1.00 0.44 C ATOM 636 O GLN A 29 -14.767 6.801 -7.168 1.00 0.43 O ATOM 637 CB GLN A 29 -15.581 9.332 -5.548 1.00 0.51 C ATOM 638 CG GLN A 29 -15.479 10.611 -4.748 1.00 0.54 C ATOM 639 CD GLN A 29 -16.796 11.364 -4.673 1.00 0.61 C ATOM 640 OE1 GLN A 29 -17.616 11.297 -5.590 1.00 0.74 O ATOM 641 NE2 GLN A 29 -17.005 12.087 -3.580 1.00 0.84 N ATOM 0 H GLN A 29 -13.615 9.599 -7.103 1.00 0.45 H new ATOM 0 HA GLN A 29 -13.943 8.406 -4.474 1.00 0.46 H new ATOM 0 HB2 GLN A 29 -15.794 9.581 -6.587 1.00 0.51 H new ATOM 0 HB3 GLN A 29 -16.427 8.751 -5.180 1.00 0.51 H new ATOM 0 HG2 GLN A 29 -15.141 10.377 -3.738 1.00 0.54 H new ATOM 0 HG3 GLN A 29 -14.722 11.255 -5.196 1.00 0.54 H new ATOM 0 HE21 GLN A 29 -16.299 12.115 -2.844 1.00 0.84 H new ATOM 0 HE22 GLN A 29 -17.872 12.615 -3.476 1.00 0.84 H new ATOM 650 N ILE A 30 -14.901 6.156 -5.016 1.00 0.43 N ATOM 651 CA ILE A 30 -15.289 4.790 -5.331 1.00 0.40 C ATOM 652 C ILE A 30 -16.617 4.466 -4.638 1.00 0.42 C ATOM 653 O ILE A 30 -17.008 5.143 -3.686 1.00 0.45 O ATOM 654 CB ILE A 30 -14.221 3.758 -4.890 1.00 0.38 C ATOM 655 CG1 ILE A 30 -14.237 3.612 -3.375 1.00 0.39 C ATOM 656 CG2 ILE A 30 -12.827 4.155 -5.372 1.00 0.35 C ATOM 657 CD1 ILE A 30 -13.583 2.340 -2.882 1.00 0.39 C ATOM 0 H ILE A 30 -14.814 6.349 -4.018 1.00 0.43 H new ATOM 0 HA ILE A 30 -15.391 4.720 -6.414 1.00 0.40 H new ATOM 0 HB ILE A 30 -14.467 2.799 -5.346 1.00 0.38 H new ATOM 0 HG12 ILE A 30 -13.729 4.468 -2.931 1.00 0.39 H new ATOM 0 HG13 ILE A 30 -15.270 3.638 -3.027 1.00 0.39 H new ATOM 0 HG21 ILE A 30 -12.103 3.409 -5.045 1.00 0.35 H new ATOM 0 HG22 ILE A 30 -12.821 4.213 -6.460 1.00 0.35 H new ATOM 0 HG23 ILE A 30 -12.561 5.126 -4.955 1.00 0.35 H new ATOM 0 HD11 ILE A 30 -13.632 2.304 -1.794 1.00 0.39 H new ATOM 0 HD12 ILE A 30 -14.105 1.478 -3.297 1.00 0.39 H new ATOM 0 HD13 ILE A 30 -12.540 2.320 -3.199 1.00 0.39 H new ATOM 669 N GLN A 31 -17.296 3.433 -5.107 1.00 0.41 N ATOM 670 CA GLN A 31 -18.576 3.027 -4.535 1.00 0.44 C ATOM 671 C GLN A 31 -18.463 1.658 -3.872 1.00 0.43 C ATOM 672 O GLN A 31 -18.252 0.647 -4.542 1.00 0.42 O ATOM 673 CB GLN A 31 -19.662 2.991 -5.614 1.00 0.44 C ATOM 674 CG GLN A 31 -20.140 4.366 -6.051 1.00 0.47 C ATOM 675 CD GLN A 31 -21.161 4.297 -7.171 1.00 0.50 C ATOM 676 OE1 GLN A 31 -22.363 4.202 -6.927 1.00 0.53 O ATOM 677 NE2 GLN A 31 -20.684 4.350 -8.410 1.00 0.50 N ATOM 0 H GLN A 31 -16.983 2.855 -5.887 1.00 0.41 H new ATOM 0 HA GLN A 31 -18.852 3.762 -3.779 1.00 0.44 H new ATOM 0 HB2 GLN A 31 -19.279 2.457 -6.484 1.00 0.44 H new ATOM 0 HB3 GLN A 31 -20.514 2.423 -5.240 1.00 0.44 H new ATOM 0 HG2 GLN A 31 -20.577 4.884 -5.197 1.00 0.47 H new ATOM 0 HG3 GLN A 31 -19.285 4.957 -6.379 1.00 0.47 H new ATOM 0 HE21 GLN A 31 -19.679 4.429 -8.567 1.00 0.50 H new ATOM 0 HE22 GLN A 31 -21.323 4.312 -9.204 1.00 0.50 H new ATOM 686 N THR A 32 -18.602 1.636 -2.552 1.00 0.45 N ATOM 687 CA THR A 32 -18.517 0.391 -1.789 1.00 0.46 C ATOM 688 C THR A 32 -19.873 -0.021 -1.243 1.00 0.50 C ATOM 689 O THR A 32 -20.899 0.583 -1.560 1.00 0.53 O ATOM 690 CB THR A 32 -17.530 0.510 -0.618 1.00 0.45 C ATOM 691 OG1 THR A 32 -17.993 1.486 0.320 1.00 0.48 O ATOM 692 CG2 THR A 32 -16.151 0.887 -1.126 1.00 0.42 C ATOM 0 H THR A 32 -18.774 2.466 -1.985 1.00 0.45 H new ATOM 0 HA THR A 32 -18.160 -0.370 -2.483 1.00 0.46 H new ATOM 0 HB THR A 32 -17.465 -0.456 -0.118 1.00 0.45 H new ATOM 0 HG1 THR A 32 -17.561 1.337 1.187 1.00 0.48 H new ATOM 0 HG21 THR A 32 -15.463 0.968 -0.285 1.00 0.42 H new ATOM 0 HG22 THR A 32 -15.795 0.120 -1.814 1.00 0.42 H new ATOM 0 HG23 THR A 32 -16.203 1.844 -1.645 1.00 0.42 H new ATOM 743 N VAL A 36 -19.956 5.762 -0.216 1.00 0.59 N ATOM 744 CA VAL A 36 -18.920 6.295 -1.091 1.00 0.56 C ATOM 745 C VAL A 36 -17.754 6.883 -0.292 1.00 0.55 C ATOM 746 O VAL A 36 -17.938 7.526 0.744 1.00 0.59 O ATOM 747 CB VAL A 36 -19.490 7.338 -2.080 1.00 0.57 C ATOM 748 CG1 VAL A 36 -20.150 8.493 -1.340 1.00 0.61 C ATOM 749 CG2 VAL A 36 -18.407 7.847 -3.018 1.00 0.56 C ATOM 0 HA VAL A 36 -18.536 5.458 -1.674 1.00 0.56 H new ATOM 0 HB VAL A 36 -20.254 6.844 -2.680 1.00 0.57 H new ATOM 0 HG11 VAL A 36 -20.542 9.211 -2.061 1.00 0.61 H new ATOM 0 HG12 VAL A 36 -20.967 8.113 -0.726 1.00 0.61 H new ATOM 0 HG13 VAL A 36 -19.415 8.984 -0.702 1.00 0.61 H new ATOM 0 HG21 VAL A 36 -18.834 8.579 -3.703 1.00 0.56 H new ATOM 0 HG22 VAL A 36 -17.612 8.314 -2.437 1.00 0.56 H new ATOM 0 HG23 VAL A 36 -17.997 7.013 -3.587 1.00 0.56 H new ATOM 759 N ARG A 37 -16.554 6.623 -0.795 1.00 0.52 N ATOM 760 CA ARG A 37 -15.305 7.067 -0.190 1.00 0.51 C ATOM 761 C ARG A 37 -14.357 7.585 -1.251 1.00 0.49 C ATOM 762 O ARG A 37 -14.591 7.405 -2.443 1.00 0.47 O ATOM 763 CB ARG A 37 -14.692 5.977 0.619 1.00 0.49 C ATOM 764 CG ARG A 37 -14.760 4.602 -0.018 1.00 0.47 C ATOM 765 CD ARG A 37 -16.041 3.904 0.387 1.00 0.52 C ATOM 766 NE ARG A 37 -15.940 3.303 1.716 1.00 0.49 N ATOM 767 CZ ARG A 37 -16.790 3.542 2.716 1.00 0.53 C ATOM 768 NH1 ARG A 37 -17.794 4.398 2.560 1.00 0.65 N ATOM 769 NH2 ARG A 37 -16.627 2.930 3.880 1.00 0.56 N ATOM 0 H ARG A 37 -16.419 6.087 -1.652 1.00 0.52 H new ATOM 0 HA ARG A 37 -15.519 7.891 0.490 1.00 0.51 H new ATOM 0 HB2 ARG A 37 -13.647 6.225 0.806 1.00 0.49 H new ATOM 0 HB3 ARG A 37 -15.189 5.939 1.588 1.00 0.49 H new ATOM 0 HG2 ARG A 37 -14.714 4.693 -1.103 1.00 0.47 H new ATOM 0 HG3 ARG A 37 -13.900 4.007 0.289 1.00 0.47 H new ATOM 0 HD2 ARG A 37 -16.863 4.619 0.374 1.00 0.52 H new ATOM 0 HD3 ARG A 37 -16.279 3.131 -0.343 1.00 0.52 H new ATOM 0 HE ARG A 37 -15.169 2.659 1.890 1.00 0.49 H new ATOM 0 HH11 ARG A 37 -17.920 4.879 1.670 1.00 0.65 H new ATOM 0 HH12 ARG A 37 -18.439 4.574 3.331 1.00 0.65 H new ATOM 0 HH21 ARG A 37 -15.853 2.278 4.010 1.00 0.56 H new ATOM 0 HH22 ARG A 37 -17.275 3.111 4.646 1.00 0.56 H new ATOM 783 N THR A 38 -13.288 8.226 -0.815 1.00 0.48 N ATOM 784 CA THR A 38 -12.338 8.827 -1.731 1.00 0.46 C ATOM 785 C THR A 38 -10.988 8.208 -1.556 1.00 0.42 C ATOM 786 O THR A 38 -10.311 8.443 -0.570 1.00 0.42 O ATOM 787 CB THR A 38 -12.213 10.338 -1.508 1.00 0.50 C ATOM 788 OG1 THR A 38 -12.338 10.643 -0.114 1.00 0.53 O ATOM 789 CG2 THR A 38 -13.257 11.105 -2.296 1.00 0.53 C ATOM 0 H THR A 38 -13.056 8.344 0.171 1.00 0.48 H new ATOM 0 HA THR A 38 -12.710 8.649 -2.740 1.00 0.46 H new ATOM 0 HB THR A 38 -11.229 10.645 -1.862 1.00 0.50 H new ATOM 0 HG1 THR A 38 -12.255 11.611 0.018 1.00 0.53 H new ATOM 0 HG21 THR A 38 -13.138 12.173 -2.114 1.00 0.53 H new ATOM 0 HG22 THR A 38 -13.132 10.902 -3.360 1.00 0.53 H new ATOM 0 HG23 THR A 38 -14.253 10.792 -1.982 1.00 0.53 H new ATOM 797 N ILE A 39 -10.587 7.430 -2.521 1.00 0.39 N ATOM 798 CA ILE A 39 -9.325 6.752 -2.435 1.00 0.35 C ATOM 799 C ILE A 39 -8.511 6.915 -3.697 1.00 0.33 C ATOM 800 O ILE A 39 -8.967 7.485 -4.686 1.00 0.36 O ATOM 801 CB ILE A 39 -9.551 5.272 -2.184 1.00 0.33 C ATOM 802 CG1 ILE A 39 -10.430 4.699 -3.272 1.00 0.33 C ATOM 803 CG2 ILE A 39 -10.205 5.081 -0.844 1.00 0.35 C ATOM 804 CD1 ILE A 39 -9.998 3.326 -3.704 1.00 0.29 C ATOM 0 H ILE A 39 -11.115 7.250 -3.375 1.00 0.39 H new ATOM 0 HA ILE A 39 -8.771 7.198 -1.609 1.00 0.35 H new ATOM 0 HB ILE A 39 -8.592 4.754 -2.191 1.00 0.33 H new ATOM 0 HG12 ILE A 39 -11.460 4.656 -2.917 1.00 0.33 H new ATOM 0 HG13 ILE A 39 -10.417 5.367 -4.133 1.00 0.33 H new ATOM 0 HG21 ILE A 39 -10.366 4.018 -0.666 1.00 0.35 H new ATOM 0 HG22 ILE A 39 -9.561 5.486 -0.064 1.00 0.35 H new ATOM 0 HG23 ILE A 39 -11.163 5.601 -0.829 1.00 0.35 H new ATOM 0 HD11 ILE A 39 -10.665 2.964 -4.487 1.00 0.29 H new ATOM 0 HD12 ILE A 39 -8.978 3.369 -4.087 1.00 0.29 H new ATOM 0 HD13 ILE A 39 -10.037 2.647 -2.852 1.00 0.29 H new ATOM 816 N SER A 40 -7.304 6.406 -3.646 1.00 0.29 N ATOM 817 CA SER A 40 -6.414 6.471 -4.776 1.00 0.28 C ATOM 818 C SER A 40 -5.412 5.348 -4.716 1.00 0.24 C ATOM 819 O SER A 40 -5.275 4.675 -3.692 1.00 0.22 O ATOM 820 CB SER A 40 -5.691 7.806 -4.815 1.00 0.30 C ATOM 821 OG SER A 40 -5.106 8.015 -6.078 1.00 0.30 O ATOM 0 H SER A 40 -6.915 5.939 -2.827 1.00 0.29 H new ATOM 0 HA SER A 40 -7.009 6.371 -5.684 1.00 0.28 H new ATOM 0 HB2 SER A 40 -6.391 8.612 -4.595 1.00 0.30 H new ATOM 0 HB3 SER A 40 -4.922 7.832 -4.043 1.00 0.30 H new ATOM 0 HG SER A 40 -4.512 8.794 -6.039 1.00 0.30 H new ATOM 827 N GLU A 41 -4.713 5.146 -5.810 1.00 0.23 N ATOM 828 CA GLU A 41 -3.737 4.102 -5.878 1.00 0.20 C ATOM 829 C GLU A 41 -2.385 4.658 -6.321 1.00 0.20 C ATOM 830 O GLU A 41 -2.298 5.436 -7.271 1.00 0.24 O ATOM 831 CB GLU A 41 -4.253 3.043 -6.837 1.00 0.21 C ATOM 832 CG GLU A 41 -3.797 1.632 -6.514 1.00 0.21 C ATOM 833 CD GLU A 41 -2.597 1.194 -7.331 1.00 0.35 C ATOM 834 OE1 GLU A 41 -2.763 0.930 -8.540 1.00 0.48 O ATOM 835 OE2 GLU A 41 -1.489 1.117 -6.759 1.00 0.53 O ATOM 0 H GLU A 41 -4.809 5.697 -6.663 1.00 0.23 H new ATOM 0 HA GLU A 41 -3.583 3.656 -4.895 1.00 0.20 H new ATOM 0 HB2 GLU A 41 -5.343 3.069 -6.836 1.00 0.21 H new ATOM 0 HB3 GLU A 41 -3.929 3.295 -7.847 1.00 0.21 H new ATOM 0 HG2 GLU A 41 -3.550 1.570 -5.454 1.00 0.21 H new ATOM 0 HG3 GLU A 41 -4.621 0.941 -6.690 1.00 0.21 H new ATOM 842 N ALA A 42 -1.339 4.256 -5.611 1.00 0.17 N ATOM 843 CA ALA A 42 0.018 4.714 -5.890 1.00 0.18 C ATOM 844 C ALA A 42 1.013 3.572 -5.733 1.00 0.17 C ATOM 845 O ALA A 42 0.986 2.854 -4.741 1.00 0.15 O ATOM 846 CB ALA A 42 0.371 5.848 -4.949 1.00 0.20 C ATOM 0 H ALA A 42 -1.405 3.606 -4.828 1.00 0.17 H new ATOM 0 HA ALA A 42 0.067 5.069 -6.919 1.00 0.18 H new ATOM 0 HB1 ALA A 42 1.385 6.191 -5.157 1.00 0.20 H new ATOM 0 HB2 ALA A 42 -0.328 6.672 -5.094 1.00 0.20 H new ATOM 0 HB3 ALA A 42 0.310 5.498 -3.919 1.00 0.20 H new ATOM 852 N ILE A 43 1.883 3.404 -6.718 1.00 0.19 N ATOM 853 CA ILE A 43 2.879 2.338 -6.683 1.00 0.20 C ATOM 854 C ILE A 43 4.130 2.729 -5.884 1.00 0.21 C ATOM 855 O ILE A 43 4.663 3.813 -6.040 1.00 0.23 O ATOM 856 CB ILE A 43 3.300 1.930 -8.116 1.00 0.23 C ATOM 857 CG1 ILE A 43 2.067 1.629 -8.973 1.00 0.24 C ATOM 858 CG2 ILE A 43 4.232 0.724 -8.088 1.00 0.25 C ATOM 859 CD1 ILE A 43 1.132 0.614 -8.354 1.00 0.21 C ATOM 0 H ILE A 43 1.921 3.991 -7.552 1.00 0.19 H new ATOM 0 HA ILE A 43 2.406 1.494 -6.181 1.00 0.20 H new ATOM 0 HB ILE A 43 3.838 2.767 -8.560 1.00 0.23 H new ATOM 0 HG12 ILE A 43 1.520 2.556 -9.146 1.00 0.24 H new ATOM 0 HG13 ILE A 43 2.392 1.264 -9.947 1.00 0.24 H new ATOM 0 HG21 ILE A 43 4.513 0.458 -9.107 1.00 0.25 H new ATOM 0 HG22 ILE A 43 5.127 0.969 -7.517 1.00 0.25 H new ATOM 0 HG23 ILE A 43 3.723 -0.119 -7.620 1.00 0.25 H new ATOM 0 HD11 ILE A 43 0.282 0.451 -9.016 1.00 0.21 H new ATOM 0 HD12 ILE A 43 1.662 -0.327 -8.206 1.00 0.21 H new ATOM 0 HD13 ILE A 43 0.777 0.985 -7.393 1.00 0.21 H new ATOM 871 N VAL A 44 4.513 1.849 -4.973 1.00 0.19 N ATOM 872 CA VAL A 44 5.708 1.970 -4.143 1.00 0.20 C ATOM 873 C VAL A 44 6.485 0.691 -4.182 1.00 0.22 C ATOM 874 O VAL A 44 6.016 -0.353 -4.634 1.00 0.23 O ATOM 875 CB VAL A 44 5.329 2.109 -2.634 1.00 0.21 C ATOM 876 CG1 VAL A 44 5.009 3.516 -2.247 1.00 0.27 C ATOM 877 CG2 VAL A 44 4.035 1.469 -2.477 1.00 0.16 C ATOM 0 H VAL A 44 3.983 0.999 -4.782 1.00 0.19 H new ATOM 0 HA VAL A 44 6.259 2.832 -4.520 1.00 0.20 H new ATOM 0 HB VAL A 44 6.163 1.711 -2.055 1.00 0.21 H new ATOM 0 HG11 VAL A 44 4.753 3.553 -1.188 1.00 0.27 H new ATOM 0 HG12 VAL A 44 5.875 4.151 -2.433 1.00 0.27 H new ATOM 0 HG13 VAL A 44 4.165 3.873 -2.837 1.00 0.27 H new ATOM 0 HG21 VAL A 44 3.720 1.537 -1.436 1.00 0.16 H new ATOM 0 HG22 VAL A 44 3.303 1.968 -3.111 1.00 0.16 H new ATOM 0 HG23 VAL A 44 4.110 0.421 -2.766 1.00 0.16 H new ATOM 887 N GLY A 45 7.671 0.806 -3.687 1.00 0.24 N ATOM 888 CA GLY A 45 8.486 -0.373 -3.451 1.00 0.26 C ATOM 889 C GLY A 45 9.898 -0.039 -3.009 1.00 0.29 C ATOM 890 O GLY A 45 10.310 1.121 -3.045 1.00 0.29 O ATOM 0 H GLY A 45 8.110 1.691 -3.434 1.00 0.24 H new ATOM 0 HA2 GLY A 45 8.010 -0.991 -2.690 1.00 0.26 H new ATOM 0 HA3 GLY A 45 8.528 -0.967 -4.364 1.00 0.26 H new ATOM 894 N ASP A 46 10.638 -1.063 -2.595 1.00 0.31 N ATOM 895 CA ASP A 46 12.013 -0.885 -2.143 1.00 0.34 C ATOM 896 C ASP A 46 12.949 -1.832 -2.883 1.00 0.38 C ATOM 897 O ASP A 46 12.588 -2.396 -3.914 1.00 0.39 O ATOM 898 CB ASP A 46 12.113 -1.122 -0.633 1.00 0.33 C ATOM 899 CG ASP A 46 11.597 -2.488 -0.221 1.00 0.34 C ATOM 900 OD1 ASP A 46 11.210 -3.273 -1.111 1.00 0.34 O ATOM 901 OD2 ASP A 46 11.581 -2.772 0.996 1.00 0.34 O ATOM 0 H ASP A 46 10.307 -2.027 -2.563 1.00 0.31 H new ATOM 0 HA ASP A 46 12.313 0.140 -2.360 1.00 0.34 H new ATOM 0 HB2 ASP A 46 13.153 -1.021 -0.321 1.00 0.33 H new ATOM 0 HB3 ASP A 46 11.547 -0.351 -0.110 1.00 0.33 H new ATOM 906 N GLU A 47 14.153 -2.006 -2.346 1.00 0.40 N ATOM 907 CA GLU A 47 15.143 -2.883 -2.961 1.00 0.44 C ATOM 908 C GLU A 47 14.823 -4.354 -2.701 1.00 0.45 C ATOM 909 O GLU A 47 15.567 -5.241 -3.117 1.00 0.49 O ATOM 910 CB GLU A 47 16.542 -2.558 -2.431 1.00 0.46 C ATOM 911 CG GLU A 47 16.608 -2.427 -0.916 1.00 0.45 C ATOM 912 CD GLU A 47 17.765 -3.199 -0.314 1.00 0.48 C ATOM 913 OE1 GLU A 47 17.897 -4.403 -0.619 1.00 0.51 O ATOM 914 OE2 GLU A 47 18.538 -2.600 0.462 1.00 0.49 O ATOM 0 H GLU A 47 14.466 -1.552 -1.488 1.00 0.40 H new ATOM 0 HA GLU A 47 15.114 -2.712 -4.037 1.00 0.44 H new ATOM 0 HB2 GLU A 47 17.232 -3.339 -2.750 1.00 0.46 H new ATOM 0 HB3 GLU A 47 16.885 -1.627 -2.882 1.00 0.46 H new ATOM 0 HG2 GLU A 47 16.701 -1.374 -0.650 1.00 0.45 H new ATOM 0 HG3 GLU A 47 15.673 -2.784 -0.483 1.00 0.45 H new ATOM 921 N THR A 48 13.713 -4.608 -2.012 1.00 0.43 N ATOM 922 CA THR A 48 13.308 -5.975 -1.698 1.00 0.44 C ATOM 923 C THR A 48 12.123 -6.422 -2.546 1.00 0.43 C ATOM 924 O THR A 48 11.626 -7.540 -2.388 1.00 0.44 O ATOM 925 CB THR A 48 12.944 -6.115 -0.212 1.00 0.43 C ATOM 926 OG1 THR A 48 11.599 -5.677 0.007 1.00 0.39 O ATOM 927 CG2 THR A 48 13.893 -5.297 0.649 1.00 0.43 C ATOM 0 H THR A 48 13.081 -3.888 -1.662 1.00 0.43 H new ATOM 0 HA THR A 48 14.161 -6.614 -1.925 1.00 0.44 H new ATOM 0 HB THR A 48 13.032 -7.165 0.066 1.00 0.43 H new ATOM 0 HG1 THR A 48 11.391 -4.940 -0.604 1.00 0.39 H new ATOM 0 HG21 THR A 48 13.620 -5.408 1.698 1.00 0.43 H new ATOM 0 HG22 THR A 48 14.914 -5.649 0.500 1.00 0.43 H new ATOM 0 HG23 THR A 48 13.827 -4.246 0.366 1.00 0.43 H new ATOM 935 N GLY A 49 11.671 -5.554 -3.446 1.00 0.41 N ATOM 936 CA GLY A 49 10.548 -5.897 -4.302 1.00 0.41 C ATOM 937 C GLY A 49 9.656 -4.711 -4.608 1.00 0.37 C ATOM 938 O GLY A 49 10.132 -3.580 -4.717 1.00 0.36 O ATOM 0 H GLY A 49 12.060 -4.623 -3.598 1.00 0.41 H new ATOM 0 HA2 GLY A 49 10.924 -6.313 -5.237 1.00 0.41 H new ATOM 0 HA3 GLY A 49 9.956 -6.676 -3.822 1.00 0.41 H new ATOM 942 N ARG A 50 8.375 -4.987 -4.787 1.00 0.35 N ATOM 943 CA ARG A 50 7.410 -3.973 -5.111 1.00 0.31 C ATOM 944 C ARG A 50 6.016 -4.429 -4.715 1.00 0.29 C ATOM 945 O ARG A 50 5.668 -5.601 -4.840 1.00 0.31 O ATOM 946 CB ARG A 50 7.445 -3.681 -6.603 1.00 0.33 C ATOM 947 CG ARG A 50 6.398 -2.682 -7.028 1.00 0.30 C ATOM 948 CD ARG A 50 5.936 -2.932 -8.451 1.00 0.32 C ATOM 949 NE ARG A 50 6.845 -2.359 -9.437 1.00 0.36 N ATOM 950 CZ ARG A 50 6.450 -1.808 -10.584 1.00 0.38 C ATOM 951 NH1 ARG A 50 5.160 -1.741 -10.890 1.00 0.38 N ATOM 952 NH2 ARG A 50 7.351 -1.320 -11.428 1.00 0.42 N ATOM 0 H ARG A 50 7.983 -5.926 -4.710 1.00 0.35 H new ATOM 0 HA ARG A 50 7.658 -3.066 -4.560 1.00 0.31 H new ATOM 0 HB2 ARG A 50 8.431 -3.303 -6.871 1.00 0.33 H new ATOM 0 HB3 ARG A 50 7.299 -4.610 -7.154 1.00 0.33 H new ATOM 0 HG2 ARG A 50 5.545 -2.738 -6.352 1.00 0.30 H new ATOM 0 HG3 ARG A 50 6.803 -1.673 -6.948 1.00 0.30 H new ATOM 0 HD2 ARG A 50 5.851 -4.005 -8.620 1.00 0.32 H new ATOM 0 HD3 ARG A 50 4.941 -2.508 -8.587 1.00 0.32 H new ATOM 0 HE ARG A 50 7.845 -2.381 -9.236 1.00 0.36 H new ATOM 0 HH11 ARG A 50 4.463 -2.113 -10.245 1.00 0.38 H new ATOM 0 HH12 ARG A 50 4.866 -1.318 -11.770 1.00 0.38 H new ATOM 0 HH21 ARG A 50 8.344 -1.367 -11.198 1.00 0.42 H new ATOM 0 HH22 ARG A 50 7.051 -0.898 -12.307 1.00 0.42 H new ATOM 966 N VAL A 51 5.231 -3.484 -4.251 1.00 0.25 N ATOM 967 CA VAL A 51 3.873 -3.742 -3.821 1.00 0.23 C ATOM 968 C VAL A 51 2.972 -2.523 -4.067 1.00 0.19 C ATOM 969 O VAL A 51 3.354 -1.388 -3.783 1.00 0.18 O ATOM 970 CB VAL A 51 3.841 -4.125 -2.327 1.00 0.23 C ATOM 971 CG1 VAL A 51 4.554 -3.082 -1.477 1.00 0.22 C ATOM 972 CG2 VAL A 51 2.416 -4.300 -1.866 1.00 0.21 C ATOM 0 H VAL A 51 5.517 -2.509 -4.160 1.00 0.25 H new ATOM 0 HA VAL A 51 3.492 -4.576 -4.410 1.00 0.23 H new ATOM 0 HB VAL A 51 4.369 -5.071 -2.206 1.00 0.23 H new ATOM 0 HG11 VAL A 51 4.515 -3.379 -0.429 1.00 0.22 H new ATOM 0 HG12 VAL A 51 5.594 -3.004 -1.794 1.00 0.22 H new ATOM 0 HG13 VAL A 51 4.064 -2.116 -1.599 1.00 0.22 H new ATOM 0 HG21 VAL A 51 2.406 -4.570 -0.810 1.00 0.21 H new ATOM 0 HG22 VAL A 51 1.871 -3.367 -2.007 1.00 0.21 H new ATOM 0 HG23 VAL A 51 1.940 -5.090 -2.447 1.00 0.21 H new ATOM 982 N LYS A 52 1.784 -2.770 -4.623 1.00 0.18 N ATOM 983 CA LYS A 52 0.818 -1.703 -4.901 1.00 0.15 C ATOM 984 C LYS A 52 0.268 -1.087 -3.603 1.00 0.13 C ATOM 985 O LYS A 52 -0.157 -1.809 -2.701 1.00 0.14 O ATOM 986 CB LYS A 52 -0.342 -2.255 -5.741 1.00 0.16 C ATOM 987 CG LYS A 52 0.085 -3.307 -6.759 1.00 0.21 C ATOM 988 CD LYS A 52 -0.119 -2.832 -8.188 1.00 0.23 C ATOM 989 CE LYS A 52 0.569 -3.752 -9.187 1.00 0.29 C ATOM 990 NZ LYS A 52 0.012 -5.134 -9.147 1.00 0.28 N ATOM 0 H LYS A 52 1.467 -3.702 -4.890 1.00 0.18 H new ATOM 0 HA LYS A 52 1.336 -0.920 -5.455 1.00 0.15 H new ATOM 0 HB2 LYS A 52 -1.087 -2.689 -5.074 1.00 0.16 H new ATOM 0 HB3 LYS A 52 -0.824 -1.430 -6.265 1.00 0.16 H new ATOM 0 HG2 LYS A 52 1.135 -3.555 -6.606 1.00 0.21 H new ATOM 0 HG3 LYS A 52 -0.485 -4.222 -6.596 1.00 0.21 H new ATOM 0 HD2 LYS A 52 -1.186 -2.787 -8.408 1.00 0.23 H new ATOM 0 HD3 LYS A 52 0.272 -1.820 -8.295 1.00 0.23 H new ATOM 0 HE2 LYS A 52 0.457 -3.345 -10.192 1.00 0.29 H new ATOM 0 HE3 LYS A 52 1.637 -3.785 -8.974 1.00 0.29 H new ATOM 0 HZ1 LYS A 52 0.460 -5.710 -9.888 1.00 0.28 H new ATOM 0 HZ2 LYS A 52 0.201 -5.558 -8.216 1.00 0.28 H new ATOM 0 HZ3 LYS A 52 -1.015 -5.099 -9.309 1.00 0.28 H new ATOM 1004 N LEU A 53 0.284 0.248 -3.517 1.00 0.12 N ATOM 1005 CA LEU A 53 -0.219 0.960 -2.336 1.00 0.12 C ATOM 1006 C LEU A 53 -1.588 1.580 -2.615 1.00 0.13 C ATOM 1007 O LEU A 53 -1.828 2.143 -3.681 1.00 0.13 O ATOM 1008 CB LEU A 53 0.773 2.051 -1.900 1.00 0.13 C ATOM 1009 CG LEU A 53 0.644 2.571 -0.456 1.00 0.15 C ATOM 1010 CD1 LEU A 53 -0.484 3.586 -0.330 1.00 0.19 C ATOM 1011 CD2 LEU A 53 0.433 1.424 0.514 1.00 0.17 C ATOM 0 H LEU A 53 0.640 0.858 -4.252 1.00 0.12 H new ATOM 0 HA LEU A 53 -0.325 0.236 -1.528 1.00 0.12 H new ATOM 0 HB2 LEU A 53 1.783 1.664 -2.033 1.00 0.13 H new ATOM 0 HB3 LEU A 53 0.665 2.898 -2.577 1.00 0.13 H new ATOM 0 HG LEU A 53 1.578 3.072 -0.203 1.00 0.15 H new ATOM 0 HD11 LEU A 53 -0.548 3.933 0.701 1.00 0.19 H new ATOM 0 HD12 LEU A 53 -0.286 4.433 -0.986 1.00 0.19 H new ATOM 0 HD13 LEU A 53 -1.427 3.119 -0.615 1.00 0.19 H new ATOM 0 HD21 LEU A 53 0.345 1.816 1.527 1.00 0.17 H new ATOM 0 HD22 LEU A 53 -0.479 0.889 0.251 1.00 0.17 H new ATOM 0 HD23 LEU A 53 1.282 0.742 0.461 1.00 0.17 H new ATOM 1023 N THR A 54 -2.476 1.456 -1.641 1.00 0.16 N ATOM 1024 CA THR A 54 -3.823 1.982 -1.741 1.00 0.18 C ATOM 1025 C THR A 54 -4.162 2.869 -0.557 1.00 0.22 C ATOM 1026 O THR A 54 -4.362 2.397 0.552 1.00 0.25 O ATOM 1027 CB THR A 54 -4.883 0.884 -1.845 1.00 0.21 C ATOM 1028 OG1 THR A 54 -4.392 -0.208 -2.632 1.00 0.22 O ATOM 1029 CG2 THR A 54 -6.127 1.466 -2.486 1.00 0.23 C ATOM 0 H THR A 54 -2.280 0.986 -0.757 1.00 0.16 H new ATOM 0 HA THR A 54 -3.838 2.566 -2.661 1.00 0.18 H new ATOM 0 HB THR A 54 -5.120 0.510 -0.849 1.00 0.21 H new ATOM 0 HG1 THR A 54 -5.110 -0.545 -3.208 1.00 0.22 H new ATOM 0 HG21 THR A 54 -6.891 0.693 -2.566 1.00 0.23 H new ATOM 0 HG22 THR A 54 -6.503 2.285 -1.873 1.00 0.23 H new ATOM 0 HG23 THR A 54 -5.883 1.839 -3.481 1.00 0.23 H new ATOM 1037 N LEU A 55 -4.252 4.143 -0.815 1.00 0.22 N ATOM 1038 CA LEU A 55 -4.572 5.126 0.198 1.00 0.26 C ATOM 1039 C LEU A 55 -6.075 5.172 0.440 1.00 0.28 C ATOM 1040 O LEU A 55 -6.857 4.789 -0.429 1.00 0.28 O ATOM 1041 CB LEU A 55 -4.083 6.460 -0.290 1.00 0.26 C ATOM 1042 CG LEU A 55 -2.797 6.380 -1.108 1.00 0.24 C ATOM 1043 CD1 LEU A 55 -3.019 6.950 -2.483 1.00 0.24 C ATOM 1044 CD2 LEU A 55 -1.656 7.097 -0.419 1.00 0.25 C ATOM 0 H LEU A 55 -4.105 4.539 -1.743 1.00 0.22 H new ATOM 0 HA LEU A 55 -4.092 4.866 1.141 1.00 0.26 H new ATOM 0 HB2 LEU A 55 -4.861 6.922 -0.897 1.00 0.26 H new ATOM 0 HB3 LEU A 55 -3.918 7.112 0.567 1.00 0.26 H new ATOM 0 HG LEU A 55 -2.523 5.329 -1.198 1.00 0.24 H new ATOM 0 HD11 LEU A 55 -2.094 6.887 -3.057 1.00 0.24 H new ATOM 0 HD12 LEU A 55 -3.800 6.383 -2.990 1.00 0.24 H new ATOM 0 HD13 LEU A 55 -3.324 7.993 -2.400 1.00 0.24 H new ATOM 0 HD21 LEU A 55 -0.756 7.020 -1.029 1.00 0.25 H new ATOM 0 HD22 LEU A 55 -1.914 8.147 -0.285 1.00 0.25 H new ATOM 0 HD23 LEU A 55 -1.474 6.641 0.554 1.00 0.25 H new ATOM 1056 N TRP A 56 -6.481 5.655 1.611 1.00 0.32 N ATOM 1057 CA TRP A 56 -7.899 5.702 1.944 1.00 0.36 C ATOM 1058 C TRP A 56 -8.355 7.054 2.503 1.00 0.40 C ATOM 1059 O TRP A 56 -7.786 7.580 3.463 1.00 0.42 O ATOM 1060 CB TRP A 56 -8.212 4.564 2.915 1.00 0.36 C ATOM 1061 CG TRP A 56 -8.312 3.239 2.217 1.00 0.33 C ATOM 1062 CD1 TRP A 56 -7.312 2.310 2.064 1.00 0.30 C ATOM 1063 CD2 TRP A 56 -9.474 2.701 1.555 1.00 0.34 C ATOM 1064 NE1 TRP A 56 -7.766 1.248 1.330 1.00 0.30 N ATOM 1065 CE2 TRP A 56 -9.106 1.456 1.022 1.00 0.31 C ATOM 1066 CE3 TRP A 56 -10.780 3.155 1.359 1.00 0.38 C ATOM 1067 CZ2 TRP A 56 -10.003 0.670 0.307 1.00 0.32 C ATOM 1068 CZ3 TRP A 56 -11.659 2.374 0.649 1.00 0.38 C ATOM 1069 CH2 TRP A 56 -11.269 1.147 0.129 1.00 0.34 C ATOM 0 H TRP A 56 -5.858 6.014 2.335 1.00 0.32 H new ATOM 0 HA TRP A 56 -8.463 5.576 1.020 1.00 0.36 H new ATOM 0 HB2 TRP A 56 -7.435 4.514 3.677 1.00 0.36 H new ATOM 0 HB3 TRP A 56 -9.150 4.774 3.429 1.00 0.36 H new ATOM 0 HD1 TRP A 56 -6.313 2.404 2.464 1.00 0.30 H new ATOM 0 HE1 TRP A 56 -7.212 0.437 1.054 1.00 0.30 H new ATOM 0 HE3 TRP A 56 -11.095 4.107 1.760 1.00 0.38 H new ATOM 0 HZ2 TRP A 56 -9.707 -0.288 -0.095 1.00 0.32 H new ATOM 0 HZ3 TRP A 56 -12.670 2.720 0.493 1.00 0.38 H new ATOM 0 HH2 TRP A 56 -11.983 0.558 -0.428 1.00 0.34 H new ATOM 1080 N GLY A 57 -9.391 7.594 1.858 1.00 0.42 N ATOM 1081 CA GLY A 57 -10.004 8.866 2.236 1.00 0.47 C ATOM 1082 C GLY A 57 -9.094 10.080 2.075 1.00 0.47 C ATOM 1083 O GLY A 57 -8.977 10.620 0.977 1.00 0.46 O ATOM 0 H GLY A 57 -9.832 7.155 1.050 1.00 0.42 H new ATOM 0 HA2 GLY A 57 -10.899 9.017 1.633 1.00 0.47 H new ATOM 0 HA3 GLY A 57 -10.326 8.805 3.275 1.00 0.47 H new ATOM 1087 N LYS A 58 -8.453 10.520 3.162 1.00 0.49 N ATOM 1088 CA LYS A 58 -7.576 11.699 3.107 1.00 0.50 C ATOM 1089 C LYS A 58 -6.184 11.366 2.575 1.00 0.46 C ATOM 1090 O LYS A 58 -5.518 12.232 2.017 1.00 0.46 O ATOM 1091 CB LYS A 58 -7.487 12.398 4.475 1.00 0.54 C ATOM 1092 CG LYS A 58 -7.578 11.462 5.671 1.00 0.54 C ATOM 1093 CD LYS A 58 -6.285 10.696 5.876 1.00 0.51 C ATOM 1094 CE LYS A 58 -6.545 9.276 6.337 1.00 0.49 C ATOM 1095 NZ LYS A 58 -6.884 9.210 7.787 1.00 0.55 N ATOM 0 H LYS A 58 -8.522 10.085 4.082 1.00 0.49 H new ATOM 0 HA LYS A 58 -8.033 12.391 2.400 1.00 0.50 H new ATOM 0 HB2 LYS A 58 -6.545 12.944 4.529 1.00 0.54 H new ATOM 0 HB3 LYS A 58 -8.287 13.135 4.545 1.00 0.54 H new ATOM 0 HG2 LYS A 58 -7.808 12.037 6.568 1.00 0.54 H new ATOM 0 HG3 LYS A 58 -8.399 10.760 5.524 1.00 0.54 H new ATOM 0 HD2 LYS A 58 -5.720 10.679 4.944 1.00 0.51 H new ATOM 0 HD3 LYS A 58 -5.669 11.211 6.613 1.00 0.51 H new ATOM 0 HE2 LYS A 58 -7.362 8.850 5.754 1.00 0.49 H new ATOM 0 HE3 LYS A 58 -5.663 8.665 6.143 1.00 0.49 H new ATOM 0 HZ1 LYS A 58 -7.054 8.221 8.059 1.00 0.55 H new ATOM 0 HZ2 LYS A 58 -6.095 9.592 8.346 1.00 0.55 H new ATOM 0 HZ3 LYS A 58 -7.740 9.771 7.969 1.00 0.55 H new ATOM 1109 N HIS A 59 -5.749 10.118 2.745 1.00 0.42 N ATOM 1110 CA HIS A 59 -4.456 9.675 2.236 1.00 0.39 C ATOM 1111 C HIS A 59 -4.480 9.614 0.714 1.00 0.36 C ATOM 1112 O HIS A 59 -3.438 9.671 0.060 1.00 0.34 O ATOM 1113 CB HIS A 59 -4.106 8.296 2.799 1.00 0.36 C ATOM 1114 CG HIS A 59 -3.509 8.338 4.172 1.00 0.38 C ATOM 1115 ND1 HIS A 59 -3.878 7.714 5.314 1.00 0.38 N flip ATOM 1116 CD2 HIS A 59 -2.393 9.083 4.487 1.00 0.39 C flip ATOM 1117 CE1 HIS A 59 -2.987 8.091 6.288 1.00 0.40 C flip ATOM 1118 NE2 HIS A 59 -2.100 8.915 5.764 1.00 0.41 N flip ATOM 0 H HIS A 59 -6.277 9.395 3.234 1.00 0.42 H new ATOM 0 HA HIS A 59 -3.699 10.392 2.553 1.00 0.39 H new ATOM 0 HB2 HIS A 59 -5.008 7.684 2.823 1.00 0.36 H new ATOM 0 HB3 HIS A 59 -3.406 7.805 2.123 1.00 0.36 H new ATOM 0 HD2 HIS A 59 -1.844 9.707 3.797 1.00 0.39 H new ATOM 0 HE1 HIS A 59 -3.009 7.765 7.318 1.00 0.40 H new ATOM 0 HE2 HIS A 59 -1.321 9.348 6.260 1.00 0.41 H new ATOM 1126 N ALA A 60 -5.683 9.502 0.161 1.00 0.37 N ATOM 1127 CA ALA A 60 -5.868 9.426 -1.280 1.00 0.36 C ATOM 1128 C ALA A 60 -5.267 10.632 -1.993 1.00 0.37 C ATOM 1129 O ALA A 60 -5.623 11.775 -1.711 1.00 0.41 O ATOM 1130 CB ALA A 60 -7.347 9.305 -1.607 1.00 0.38 C ATOM 0 H ALA A 60 -6.550 9.462 0.696 1.00 0.37 H new ATOM 0 HA ALA A 60 -5.344 8.540 -1.637 1.00 0.36 H new ATOM 0 HB1 ALA A 60 -7.477 9.249 -2.688 1.00 0.38 H new ATOM 0 HB2 ALA A 60 -7.749 8.403 -1.146 1.00 0.38 H new ATOM 0 HB3 ALA A 60 -7.877 10.176 -1.223 1.00 0.38 H new ATOM 1136 N GLY A 61 -4.353 10.363 -2.924 1.00 0.35 N ATOM 1137 CA GLY A 61 -3.714 11.431 -3.676 1.00 0.37 C ATOM 1138 C GLY A 61 -3.002 12.442 -2.793 1.00 0.39 C ATOM 1139 O GLY A 61 -2.542 13.476 -3.276 1.00 0.41 O ATOM 0 H GLY A 61 -4.044 9.423 -3.171 1.00 0.35 H new ATOM 0 HA2 GLY A 61 -2.996 10.997 -4.372 1.00 0.37 H new ATOM 0 HA3 GLY A 61 -4.466 11.946 -4.273 1.00 0.37 H new ATOM 1143 N SER A 62 -2.911 12.147 -1.500 1.00 0.39 N ATOM 1144 CA SER A 62 -2.254 13.047 -0.557 1.00 0.41 C ATOM 1145 C SER A 62 -0.747 12.821 -0.539 1.00 0.39 C ATOM 1146 O SER A 62 0.011 13.680 -0.084 1.00 0.41 O ATOM 1147 CB SER A 62 -2.827 12.853 0.848 1.00 0.42 C ATOM 1148 OG SER A 62 -2.006 13.475 1.823 1.00 0.44 O ATOM 0 H SER A 62 -3.283 11.294 -1.082 1.00 0.39 H new ATOM 0 HA SER A 62 -2.442 14.070 -0.883 1.00 0.41 H new ATOM 0 HB2 SER A 62 -3.833 13.270 0.895 1.00 0.42 H new ATOM 0 HB3 SER A 62 -2.913 11.788 1.066 1.00 0.42 H new ATOM 0 HG SER A 62 -2.394 13.338 2.713 1.00 0.44 H new ATOM 1154 N ILE A 63 -0.313 11.666 -1.033 1.00 0.35 N ATOM 1155 CA ILE A 63 1.106 11.337 -1.062 1.00 0.33 C ATOM 1156 C ILE A 63 1.834 12.093 -2.167 1.00 0.35 C ATOM 1157 O ILE A 63 1.215 12.750 -3.004 1.00 0.37 O ATOM 1158 CB ILE A 63 1.337 9.825 -1.248 1.00 0.29 C ATOM 1159 CG1 ILE A 63 0.452 9.282 -2.366 1.00 0.28 C ATOM 1160 CG2 ILE A 63 1.071 9.087 0.055 1.00 0.28 C ATOM 1161 CD1 ILE A 63 1.232 8.750 -3.548 1.00 0.26 C ATOM 0 H ILE A 63 -0.923 10.944 -1.418 1.00 0.35 H new ATOM 0 HA ILE A 63 1.511 11.640 -0.097 1.00 0.33 H new ATOM 0 HB ILE A 63 2.378 9.664 -1.529 1.00 0.29 H new ATOM 0 HG12 ILE A 63 -0.176 8.486 -1.967 1.00 0.28 H new ATOM 0 HG13 ILE A 63 -0.215 10.073 -2.707 1.00 0.28 H new ATOM 0 HG21 ILE A 63 1.238 8.020 -0.091 1.00 0.28 H new ATOM 0 HG22 ILE A 63 1.745 9.458 0.827 1.00 0.28 H new ATOM 0 HG23 ILE A 63 0.039 9.254 0.364 1.00 0.28 H new ATOM 0 HD11 ILE A 63 0.540 8.380 -4.304 1.00 0.26 H new ATOM 0 HD12 ILE A 63 1.840 9.549 -3.972 1.00 0.26 H new ATOM 0 HD13 ILE A 63 1.879 7.937 -3.220 1.00 0.26 H new ATOM 1173 N LYS A 64 3.155 11.987 -2.153 1.00 0.34 N ATOM 1174 CA LYS A 64 4.006 12.656 -3.125 1.00 0.36 C ATOM 1175 C LYS A 64 4.500 11.682 -4.191 1.00 0.34 C ATOM 1176 O LYS A 64 4.077 10.528 -4.246 1.00 0.31 O ATOM 1177 CB LYS A 64 5.195 13.313 -2.424 1.00 0.38 C ATOM 1178 CG LYS A 64 5.004 14.798 -2.163 1.00 0.41 C ATOM 1179 CD LYS A 64 6.297 15.453 -1.700 1.00 0.43 C ATOM 1180 CE LYS A 64 6.025 16.628 -0.776 1.00 0.46 C ATOM 1181 NZ LYS A 64 7.261 17.086 -0.081 1.00 0.47 N ATOM 0 H LYS A 64 3.667 11.434 -1.466 1.00 0.34 H new ATOM 0 HA LYS A 64 3.411 13.425 -3.618 1.00 0.36 H new ATOM 0 HB2 LYS A 64 5.372 12.806 -1.476 1.00 0.38 H new ATOM 0 HB3 LYS A 64 6.088 13.172 -3.033 1.00 0.38 H new ATOM 0 HG2 LYS A 64 4.653 15.286 -3.072 1.00 0.41 H new ATOM 0 HG3 LYS A 64 4.232 14.939 -1.407 1.00 0.41 H new ATOM 0 HD2 LYS A 64 6.914 14.718 -1.184 1.00 0.43 H new ATOM 0 HD3 LYS A 64 6.864 15.793 -2.566 1.00 0.43 H new ATOM 0 HE2 LYS A 64 5.605 17.453 -1.352 1.00 0.46 H new ATOM 0 HE3 LYS A 64 5.277 16.343 -0.036 1.00 0.46 H new ATOM 0 HZ1 LYS A 64 7.033 17.889 0.540 1.00 0.47 H new ATOM 0 HZ2 LYS A 64 7.648 16.307 0.489 1.00 0.47 H new ATOM 0 HZ3 LYS A 64 7.966 17.383 -0.786 1.00 0.47 H new ATOM 1195 N GLU A 65 5.400 12.173 -5.030 1.00 0.36 N ATOM 1196 CA GLU A 65 5.987 11.386 -6.106 1.00 0.36 C ATOM 1197 C GLU A 65 7.247 10.718 -5.584 1.00 0.35 C ATOM 1198 O GLU A 65 7.515 10.789 -4.390 1.00 0.34 O ATOM 1199 CB GLU A 65 6.313 12.271 -7.312 1.00 0.40 C ATOM 1200 CG GLU A 65 5.493 11.940 -8.549 1.00 0.40 C ATOM 1201 CD GLU A 65 5.452 13.083 -9.544 1.00 0.44 C ATOM 1202 OE1 GLU A 65 6.521 13.435 -10.086 1.00 0.47 O ATOM 1203 OE2 GLU A 65 4.352 13.625 -9.780 1.00 0.45 O ATOM 0 H GLU A 65 5.745 13.132 -4.984 1.00 0.36 H new ATOM 0 HA GLU A 65 5.274 10.630 -6.434 1.00 0.36 H new ATOM 0 HB2 GLU A 65 6.145 13.314 -7.043 1.00 0.40 H new ATOM 0 HB3 GLU A 65 7.372 12.170 -7.550 1.00 0.40 H new ATOM 0 HG2 GLU A 65 5.912 11.057 -9.032 1.00 0.40 H new ATOM 0 HG3 GLU A 65 4.476 11.687 -8.249 1.00 0.40 H new ATOM 1210 N GLY A 66 7.998 10.060 -6.462 1.00 0.36 N ATOM 1211 CA GLY A 66 9.187 9.335 -6.035 1.00 0.35 C ATOM 1212 C GLY A 66 10.009 10.062 -4.985 1.00 0.36 C ATOM 1213 O GLY A 66 10.975 10.761 -5.292 1.00 0.39 O ATOM 0 H GLY A 66 7.806 10.014 -7.463 1.00 0.36 H new ATOM 0 HA2 GLY A 66 8.886 8.365 -5.639 1.00 0.35 H new ATOM 0 HA3 GLY A 66 9.815 9.143 -6.905 1.00 0.35 H new ATOM 1217 N GLN A 67 9.593 9.875 -3.732 1.00 0.34 N ATOM 1218 CA GLN A 67 10.248 10.461 -2.571 1.00 0.35 C ATOM 1219 C GLN A 67 10.336 9.408 -1.468 1.00 0.32 C ATOM 1220 O GLN A 67 9.603 8.420 -1.495 1.00 0.30 O ATOM 1221 CB GLN A 67 9.466 11.685 -2.077 1.00 0.36 C ATOM 1222 CG GLN A 67 8.052 11.368 -1.616 1.00 0.34 C ATOM 1223 CD GLN A 67 7.912 11.377 -0.111 1.00 0.33 C ATOM 1224 OE1 GLN A 67 7.514 12.377 0.485 1.00 0.35 O ATOM 1225 NE2 GLN A 67 8.238 10.256 0.514 1.00 0.31 N ATOM 0 H GLN A 67 8.781 9.304 -3.496 1.00 0.34 H new ATOM 0 HA GLN A 67 11.251 10.788 -2.845 1.00 0.35 H new ATOM 0 HB2 GLN A 67 10.012 12.144 -1.253 1.00 0.36 H new ATOM 0 HB3 GLN A 67 9.420 12.422 -2.879 1.00 0.36 H new ATOM 0 HG2 GLN A 67 7.363 12.096 -2.045 1.00 0.34 H new ATOM 0 HG3 GLN A 67 7.761 10.389 -1.998 1.00 0.34 H new ATOM 0 HE21 GLN A 67 8.564 9.450 -0.020 1.00 0.31 H new ATOM 0 HE22 GLN A 67 8.163 10.198 1.530 1.00 0.31 H new ATOM 1234 N VAL A 68 11.223 9.610 -0.500 1.00 0.33 N ATOM 1235 CA VAL A 68 11.374 8.647 0.589 1.00 0.31 C ATOM 1236 C VAL A 68 10.269 8.797 1.626 1.00 0.30 C ATOM 1237 O VAL A 68 10.182 9.814 2.315 1.00 0.32 O ATOM 1238 CB VAL A 68 12.734 8.781 1.295 1.00 0.33 C ATOM 1239 CG1 VAL A 68 13.035 7.522 2.093 1.00 0.32 C ATOM 1240 CG2 VAL A 68 13.839 9.061 0.286 1.00 0.36 C ATOM 0 H VAL A 68 11.841 10.419 -0.445 1.00 0.33 H new ATOM 0 HA VAL A 68 11.310 7.661 0.128 1.00 0.31 H new ATOM 0 HB VAL A 68 12.688 9.625 1.984 1.00 0.33 H new ATOM 0 HG11 VAL A 68 14.000 7.627 2.589 1.00 0.32 H new ATOM 0 HG12 VAL A 68 12.257 7.371 2.841 1.00 0.32 H new ATOM 0 HG13 VAL A 68 13.064 6.664 1.422 1.00 0.32 H new ATOM 0 HG21 VAL A 68 14.792 9.152 0.806 1.00 0.36 H new ATOM 0 HG22 VAL A 68 13.894 8.241 -0.431 1.00 0.36 H new ATOM 0 HG23 VAL A 68 13.623 9.990 -0.241 1.00 0.36 H new ATOM 1250 N VAL A 69 9.430 7.770 1.738 1.00 0.28 N ATOM 1251 CA VAL A 69 8.331 7.773 2.698 1.00 0.27 C ATOM 1252 C VAL A 69 8.484 6.633 3.691 1.00 0.27 C ATOM 1253 O VAL A 69 9.413 5.833 3.595 1.00 0.27 O ATOM 1254 CB VAL A 69 6.947 7.639 2.017 1.00 0.26 C ATOM 1255 CG1 VAL A 69 6.130 8.906 2.202 1.00 0.28 C ATOM 1256 CG2 VAL A 69 7.088 7.294 0.541 1.00 0.24 C ATOM 0 H VAL A 69 9.491 6.923 1.173 1.00 0.28 H new ATOM 0 HA VAL A 69 8.377 8.735 3.208 1.00 0.27 H new ATOM 0 HB VAL A 69 6.416 6.818 2.499 1.00 0.26 H new ATOM 0 HG11 VAL A 69 5.162 8.789 1.715 1.00 0.28 H new ATOM 0 HG12 VAL A 69 5.981 9.091 3.266 1.00 0.28 H new ATOM 0 HG13 VAL A 69 6.660 9.749 1.758 1.00 0.28 H new ATOM 0 HG21 VAL A 69 6.099 7.207 0.092 1.00 0.24 H new ATOM 0 HG22 VAL A 69 7.648 8.081 0.035 1.00 0.24 H new ATOM 0 HG23 VAL A 69 7.618 6.347 0.438 1.00 0.24 H new ATOM 1266 N LYS A 70 7.566 6.565 4.644 1.00 0.27 N ATOM 1267 CA LYS A 70 7.591 5.517 5.651 1.00 0.28 C ATOM 1268 C LYS A 70 6.179 5.034 5.950 1.00 0.28 C ATOM 1269 O LYS A 70 5.391 5.740 6.582 1.00 0.30 O ATOM 1270 CB LYS A 70 8.253 6.029 6.931 1.00 0.31 C ATOM 1271 CG LYS A 70 8.639 4.924 7.900 1.00 0.32 C ATOM 1272 CD LYS A 70 8.158 5.225 9.311 1.00 0.35 C ATOM 1273 CE LYS A 70 8.767 4.266 10.320 1.00 0.37 C ATOM 1274 NZ LYS A 70 8.261 4.517 11.699 1.00 0.40 N ATOM 0 H LYS A 70 6.794 7.225 4.740 1.00 0.27 H new ATOM 0 HA LYS A 70 8.172 4.679 5.265 1.00 0.28 H new ATOM 0 HB2 LYS A 70 9.145 6.597 6.667 1.00 0.31 H new ATOM 0 HB3 LYS A 70 7.573 6.718 7.431 1.00 0.31 H new ATOM 0 HG2 LYS A 70 8.213 3.979 7.563 1.00 0.32 H new ATOM 0 HG3 LYS A 70 9.722 4.803 7.902 1.00 0.32 H new ATOM 0 HD2 LYS A 70 8.420 6.249 9.576 1.00 0.35 H new ATOM 0 HD3 LYS A 70 7.071 5.154 9.349 1.00 0.35 H new ATOM 0 HE2 LYS A 70 8.538 3.240 10.030 1.00 0.37 H new ATOM 0 HE3 LYS A 70 9.852 4.366 10.307 1.00 0.37 H new ATOM 0 HZ1 LYS A 70 8.700 3.843 12.358 1.00 0.40 H new ATOM 0 HZ2 LYS A 70 8.501 5.487 11.986 1.00 0.40 H new ATOM 0 HZ3 LYS A 70 7.228 4.396 11.717 1.00 0.40 H new ATOM 1288 N ILE A 71 5.866 3.829 5.491 1.00 0.26 N ATOM 1289 CA ILE A 71 4.552 3.251 5.718 1.00 0.26 C ATOM 1290 C ILE A 71 4.440 2.734 7.141 1.00 0.29 C ATOM 1291 O ILE A 71 5.399 2.200 7.697 1.00 0.30 O ATOM 1292 CB ILE A 71 4.257 2.104 4.736 1.00 0.23 C ATOM 1293 CG1 ILE A 71 4.412 2.598 3.292 1.00 0.21 C ATOM 1294 CG2 ILE A 71 2.861 1.541 4.978 1.00 0.24 C ATOM 1295 CD1 ILE A 71 3.239 3.415 2.789 1.00 0.20 C ATOM 0 H ILE A 71 6.504 3.236 4.961 1.00 0.26 H new ATOM 0 HA ILE A 71 3.819 4.041 5.554 1.00 0.26 H new ATOM 0 HB ILE A 71 4.974 1.300 4.902 1.00 0.23 H new ATOM 0 HG12 ILE A 71 5.318 3.200 3.220 1.00 0.21 H new ATOM 0 HG13 ILE A 71 4.549 1.737 2.637 1.00 0.21 H new ATOM 0 HG21 ILE A 71 2.669 0.731 4.275 1.00 0.24 H new ATOM 0 HG22 ILE A 71 2.794 1.161 5.997 1.00 0.24 H new ATOM 0 HG23 ILE A 71 2.121 2.329 4.835 1.00 0.24 H new ATOM 0 HD11 ILE A 71 3.426 3.726 1.761 1.00 0.20 H new ATOM 0 HD12 ILE A 71 2.332 2.811 2.826 1.00 0.20 H new ATOM 0 HD13 ILE A 71 3.113 4.296 3.418 1.00 0.20 H new ATOM 1307 N GLU A 72 3.265 2.898 7.727 1.00 0.31 N ATOM 1308 CA GLU A 72 3.024 2.464 9.080 1.00 0.34 C ATOM 1309 C GLU A 72 1.993 1.355 9.113 1.00 0.35 C ATOM 1310 O GLU A 72 1.506 0.896 8.080 1.00 0.33 O ATOM 1311 CB GLU A 72 2.558 3.639 9.939 1.00 0.38 C ATOM 1312 CG GLU A 72 3.175 3.660 11.329 1.00 0.41 C ATOM 1313 CD GLU A 72 2.166 3.364 12.419 1.00 0.44 C ATOM 1314 OE1 GLU A 72 1.193 4.138 12.553 1.00 0.46 O ATOM 1315 OE2 GLU A 72 2.345 2.361 13.141 1.00 0.46 O ATOM 0 H GLU A 72 2.461 3.334 7.276 1.00 0.31 H new ATOM 0 HA GLU A 72 3.959 2.078 9.486 1.00 0.34 H new ATOM 0 HB2 GLU A 72 2.802 4.571 9.428 1.00 0.38 H new ATOM 0 HB3 GLU A 72 1.473 3.602 10.033 1.00 0.38 H new ATOM 0 HG2 GLU A 72 3.980 2.927 11.376 1.00 0.41 H new ATOM 0 HG3 GLU A 72 3.623 4.637 11.509 1.00 0.41 H new ATOM 1322 N ASN A 73 1.678 0.943 10.318 1.00 0.39 N ATOM 1323 CA ASN A 73 0.713 -0.109 10.570 1.00 0.40 C ATOM 1324 C ASN A 73 -0.597 0.122 9.826 1.00 0.39 C ATOM 1325 O ASN A 73 -1.407 0.959 10.225 1.00 0.41 O ATOM 1326 CB ASN A 73 0.430 -0.121 12.061 1.00 0.45 C ATOM 1327 CG ASN A 73 0.306 -1.519 12.631 1.00 0.47 C ATOM 1328 OD1 ASN A 73 1.291 -2.252 12.732 1.00 0.46 O ATOM 1329 ND2 ASN A 73 -0.909 -1.894 13.012 1.00 0.49 N ATOM 0 H ASN A 73 2.089 1.333 11.166 1.00 0.39 H new ATOM 0 HA ASN A 73 1.127 -1.055 10.221 1.00 0.40 H new ATOM 0 HB2 ASN A 73 1.229 0.407 12.581 1.00 0.45 H new ATOM 0 HB3 ASN A 73 -0.492 0.427 12.254 1.00 0.45 H new ATOM 0 HD21 ASN A 73 -1.056 -2.823 13.407 1.00 0.49 H new ATOM 0 HD22 ASN A 73 -1.696 -1.253 12.910 1.00 0.49 H new ATOM 1336 N ALA A 74 -0.740 -0.619 8.733 1.00 0.36 N ATOM 1337 CA ALA A 74 -1.942 -0.575 7.942 1.00 0.35 C ATOM 1338 C ALA A 74 -2.539 -1.963 7.846 1.00 0.36 C ATOM 1339 O ALA A 74 -3.154 -2.441 8.802 1.00 0.40 O ATOM 1340 CB ALA A 74 -1.636 -0.029 6.561 1.00 0.31 C ATOM 0 H ALA A 74 -0.027 -1.258 8.381 1.00 0.36 H new ATOM 0 HA ALA A 74 -2.665 0.086 8.420 1.00 0.35 H new ATOM 0 HB1 ALA A 74 -2.552 0.000 5.970 1.00 0.31 H new ATOM 0 HB2 ALA A 74 -1.229 0.978 6.650 1.00 0.31 H new ATOM 0 HB3 ALA A 74 -0.907 -0.673 6.069 1.00 0.31 H new ATOM 1346 N TRP A 75 -2.294 -2.629 6.719 1.00 0.33 N ATOM 1347 CA TRP A 75 -2.797 -3.974 6.488 1.00 0.34 C ATOM 1348 C TRP A 75 -2.495 -4.427 5.083 1.00 0.31 C ATOM 1349 O TRP A 75 -2.056 -3.648 4.237 1.00 0.28 O ATOM 1350 CB TRP A 75 -4.303 -4.043 6.732 1.00 0.37 C ATOM 1351 CG TRP A 75 -5.095 -3.025 5.967 1.00 0.36 C ATOM 1352 CD1 TRP A 75 -5.446 -3.077 4.652 1.00 0.34 C ATOM 1353 CD2 TRP A 75 -5.640 -1.796 6.471 1.00 0.38 C ATOM 1354 NE1 TRP A 75 -6.177 -1.978 4.326 1.00 0.34 N ATOM 1355 CE2 TRP A 75 -6.311 -1.188 5.419 1.00 0.37 C ATOM 1356 CE3 TRP A 75 -5.633 -1.157 7.703 1.00 0.41 C ATOM 1357 CZ2 TRP A 75 -6.959 0.011 5.538 1.00 0.39 C ATOM 1358 CZ3 TRP A 75 -6.286 0.052 7.831 1.00 0.44 C ATOM 1359 CH2 TRP A 75 -6.947 0.625 6.735 1.00 0.42 C ATOM 0 H TRP A 75 -1.744 -2.251 5.947 1.00 0.33 H new ATOM 0 HA TRP A 75 -2.293 -4.637 7.191 1.00 0.34 H new ATOM 0 HB2 TRP A 75 -4.658 -5.039 6.466 1.00 0.37 H new ATOM 0 HB3 TRP A 75 -4.494 -3.911 7.797 1.00 0.37 H new ATOM 0 HD1 TRP A 75 -5.183 -3.872 3.970 1.00 0.34 H new ATOM 0 HE1 TRP A 75 -6.564 -1.779 3.403 1.00 0.34 H new ATOM 0 HE3 TRP A 75 -5.125 -1.599 8.548 1.00 0.41 H new ATOM 0 HZ2 TRP A 75 -7.467 0.453 4.693 1.00 0.39 H new ATOM 0 HZ3 TRP A 75 -6.288 0.561 8.783 1.00 0.44 H new ATOM 0 HH2 TRP A 75 -7.453 1.572 6.853 1.00 0.42 H new ATOM 1370 N THR A 76 -2.742 -5.698 4.848 1.00 0.32 N ATOM 1371 CA THR A 76 -2.509 -6.285 3.555 1.00 0.30 C ATOM 1372 C THR A 76 -3.695 -7.122 3.140 1.00 0.33 C ATOM 1373 O THR A 76 -4.220 -7.917 3.919 1.00 0.36 O ATOM 1374 CB THR A 76 -1.255 -7.163 3.544 1.00 0.31 C ATOM 1375 OG1 THR A 76 -1.202 -7.945 4.742 1.00 0.36 O ATOM 1376 CG2 THR A 76 -0.003 -6.319 3.427 1.00 0.29 C ATOM 0 H THR A 76 -3.108 -6.346 5.546 1.00 0.32 H new ATOM 0 HA THR A 76 -2.363 -5.465 2.852 1.00 0.30 H new ATOM 0 HB THR A 76 -1.305 -7.823 2.678 1.00 0.31 H new ATOM 0 HG1 THR A 76 -0.388 -8.491 4.741 1.00 0.36 H new ATOM 0 HG21 THR A 76 0.873 -6.967 3.421 1.00 0.29 H new ATOM 0 HG22 THR A 76 -0.036 -5.745 2.501 1.00 0.29 H new ATOM 0 HG23 THR A 76 0.056 -5.636 4.275 1.00 0.29 H new ATOM 1384 N THR A 77 -4.113 -6.931 1.908 1.00 0.32 N ATOM 1385 CA THR A 77 -5.237 -7.664 1.366 1.00 0.36 C ATOM 1386 C THR A 77 -4.831 -8.260 0.023 1.00 0.32 C ATOM 1387 O THR A 77 -4.278 -7.566 -0.828 1.00 0.26 O ATOM 1388 CB THR A 77 -6.480 -6.753 1.213 1.00 0.38 C ATOM 1389 OG1 THR A 77 -6.377 -5.976 0.018 1.00 0.41 O ATOM 1390 CG2 THR A 77 -6.633 -5.815 2.419 1.00 0.37 C ATOM 0 H THR A 77 -3.688 -6.269 1.258 1.00 0.32 H new ATOM 0 HA THR A 77 -5.510 -8.464 2.054 1.00 0.36 H new ATOM 0 HB THR A 77 -7.359 -7.395 1.159 1.00 0.38 H new ATOM 0 HG1 THR A 77 -7.169 -5.405 -0.070 1.00 0.41 H new ATOM 0 HG21 THR A 77 -7.514 -5.188 2.283 1.00 0.37 H new ATOM 0 HG22 THR A 77 -6.745 -6.406 3.328 1.00 0.37 H new ATOM 0 HG23 THR A 77 -5.748 -5.184 2.504 1.00 0.37 H new ATOM 1398 N ALA A 78 -5.085 -9.549 -0.164 1.00 0.38 N ATOM 1399 CA ALA A 78 -4.693 -10.219 -1.399 1.00 0.37 C ATOM 1400 C ALA A 78 -5.756 -10.113 -2.485 1.00 0.35 C ATOM 1401 O ALA A 78 -6.795 -10.768 -2.418 1.00 0.39 O ATOM 1402 CB ALA A 78 -4.367 -11.677 -1.117 1.00 0.43 C ATOM 0 H ALA A 78 -5.556 -10.147 0.515 1.00 0.38 H new ATOM 0 HA ALA A 78 -3.805 -9.711 -1.776 1.00 0.37 H new ATOM 0 HB1 ALA A 78 -4.075 -12.170 -2.044 1.00 0.43 H new ATOM 0 HB2 ALA A 78 -3.547 -11.735 -0.401 1.00 0.43 H new ATOM 0 HB3 ALA A 78 -5.245 -12.173 -0.703 1.00 0.43 H new ATOM 1408 N PHE A 79 -5.484 -9.279 -3.490 1.00 0.29 N ATOM 1409 CA PHE A 79 -6.381 -9.101 -4.597 1.00 0.26 C ATOM 1410 C PHE A 79 -5.926 -9.920 -5.794 1.00 0.27 C ATOM 1411 O PHE A 79 -4.794 -9.776 -6.256 1.00 0.27 O ATOM 1412 CB PHE A 79 -6.446 -7.632 -4.984 1.00 0.23 C ATOM 1413 CG PHE A 79 -7.750 -7.302 -5.607 1.00 0.22 C ATOM 1414 CD1 PHE A 79 -8.858 -7.139 -4.818 1.00 0.27 C ATOM 1415 CD2 PHE A 79 -7.880 -7.214 -6.969 1.00 0.25 C ATOM 1416 CE1 PHE A 79 -10.077 -6.889 -5.371 1.00 0.31 C ATOM 1417 CE2 PHE A 79 -9.097 -6.958 -7.533 1.00 0.29 C ATOM 1418 CZ PHE A 79 -10.205 -6.795 -6.734 1.00 0.31 C ATOM 0 H PHE A 79 -4.635 -8.717 -3.545 1.00 0.29 H new ATOM 0 HA PHE A 79 -7.371 -9.442 -4.293 1.00 0.26 H new ATOM 0 HB2 PHE A 79 -6.295 -7.013 -4.100 1.00 0.23 H new ATOM 0 HB3 PHE A 79 -5.638 -7.399 -5.678 1.00 0.23 H new ATOM 0 HD1 PHE A 79 -8.764 -7.210 -3.744 1.00 0.27 H new ATOM 0 HD2 PHE A 79 -7.014 -7.348 -7.600 1.00 0.25 H new ATOM 0 HE1 PHE A 79 -10.943 -6.765 -4.737 1.00 0.31 H new ATOM 0 HE2 PHE A 79 -9.190 -6.883 -8.606 1.00 0.29 H new ATOM 0 HZ PHE A 79 -11.169 -6.594 -7.177 1.00 0.31 H new ATOM 1428 N LYS A 80 -6.819 -10.780 -6.282 1.00 0.30 N ATOM 1429 CA LYS A 80 -6.548 -11.635 -7.441 1.00 0.32 C ATOM 1430 C LYS A 80 -5.383 -12.602 -7.193 1.00 0.34 C ATOM 1431 O LYS A 80 -4.806 -13.136 -8.140 1.00 0.36 O ATOM 1432 CB LYS A 80 -6.277 -10.782 -8.686 1.00 0.31 C ATOM 1433 CG LYS A 80 -7.398 -9.811 -9.012 1.00 0.30 C ATOM 1434 CD LYS A 80 -8.660 -10.514 -9.484 1.00 0.33 C ATOM 1435 CE LYS A 80 -9.780 -9.515 -9.722 1.00 0.33 C ATOM 1436 NZ LYS A 80 -11.050 -10.177 -10.127 1.00 0.43 N ATOM 0 H LYS A 80 -7.751 -10.905 -5.887 1.00 0.30 H new ATOM 0 HA LYS A 80 -7.439 -12.240 -7.608 1.00 0.32 H new ATOM 0 HB2 LYS A 80 -5.354 -10.222 -8.539 1.00 0.31 H new ATOM 0 HB3 LYS A 80 -6.118 -11.440 -9.540 1.00 0.31 H new ATOM 0 HG2 LYS A 80 -7.627 -9.216 -8.128 1.00 0.30 H new ATOM 0 HG3 LYS A 80 -7.061 -9.119 -9.784 1.00 0.30 H new ATOM 0 HD2 LYS A 80 -8.454 -11.061 -10.404 1.00 0.33 H new ATOM 0 HD3 LYS A 80 -8.973 -11.247 -8.740 1.00 0.33 H new ATOM 0 HE2 LYS A 80 -9.948 -8.937 -8.813 1.00 0.33 H new ATOM 0 HE3 LYS A 80 -9.477 -8.810 -10.496 1.00 0.33 H new ATOM 0 HZ1 LYS A 80 -11.784 -9.456 -10.278 1.00 0.43 H new ATOM 0 HZ2 LYS A 80 -10.899 -10.708 -11.009 1.00 0.43 H new ATOM 0 HZ3 LYS A 80 -11.355 -10.830 -9.378 1.00 0.43 H new ATOM 1450 N GLY A 81 -5.042 -12.827 -5.920 1.00 0.35 N ATOM 1451 CA GLY A 81 -3.970 -13.750 -5.595 1.00 0.38 C ATOM 1452 C GLY A 81 -2.663 -13.058 -5.260 1.00 0.37 C ATOM 1453 O GLY A 81 -1.737 -13.692 -4.754 1.00 0.39 O ATOM 0 H GLY A 81 -5.489 -12.387 -5.116 1.00 0.35 H new ATOM 0 HA2 GLY A 81 -4.274 -14.366 -4.749 1.00 0.38 H new ATOM 0 HA3 GLY A 81 -3.811 -14.423 -6.438 1.00 0.38 H new ATOM 1457 N GLN A 82 -2.578 -11.760 -5.538 1.00 0.34 N ATOM 1458 CA GLN A 82 -1.372 -10.999 -5.226 1.00 0.33 C ATOM 1459 C GLN A 82 -1.605 -10.169 -3.979 1.00 0.30 C ATOM 1460 O GLN A 82 -2.693 -9.636 -3.780 1.00 0.29 O ATOM 1461 CB GLN A 82 -0.956 -10.064 -6.364 1.00 0.32 C ATOM 1462 CG GLN A 82 -1.877 -10.060 -7.571 1.00 0.31 C ATOM 1463 CD GLN A 82 -2.289 -8.655 -7.975 1.00 0.27 C ATOM 1464 OE1 GLN A 82 -2.514 -7.792 -6.987 1.00 0.28 O flip ATOM 1465 NE2 GLN A 82 -2.415 -8.351 -9.161 1.00 0.24 N flip ATOM 0 H GLN A 82 -3.323 -11.217 -5.975 1.00 0.34 H new ATOM 0 HA GLN A 82 -0.570 -11.721 -5.073 1.00 0.33 H new ATOM 0 HB2 GLN A 82 -0.893 -9.049 -5.973 1.00 0.32 H new ATOM 0 HB3 GLN A 82 0.045 -10.342 -6.693 1.00 0.32 H new ATOM 0 HG2 GLN A 82 -1.377 -10.545 -8.409 1.00 0.31 H new ATOM 0 HG3 GLN A 82 -2.767 -10.648 -7.348 1.00 0.31 H new ATOM 0 HE21 GLN A 82 -2.232 -9.044 -9.887 1.00 0.24 H new ATOM 0 HE22 GLN A 82 -2.702 -7.406 -9.418 1.00 0.24 H new ATOM 1474 N VAL A 83 -0.584 -10.049 -3.144 1.00 0.31 N ATOM 1475 CA VAL A 83 -0.712 -9.268 -1.926 1.00 0.30 C ATOM 1476 C VAL A 83 -0.740 -7.778 -2.256 1.00 0.26 C ATOM 1477 O VAL A 83 -0.195 -7.351 -3.275 1.00 0.25 O ATOM 1478 CB VAL A 83 0.437 -9.547 -0.935 1.00 0.33 C ATOM 1479 CG1 VAL A 83 0.090 -9.026 0.450 1.00 0.32 C ATOM 1480 CG2 VAL A 83 0.769 -11.030 -0.890 1.00 0.38 C ATOM 0 H VAL A 83 0.331 -10.477 -3.286 1.00 0.31 H new ATOM 0 HA VAL A 83 -1.648 -9.564 -1.452 1.00 0.30 H new ATOM 0 HB VAL A 83 1.323 -9.017 -1.285 1.00 0.33 H new ATOM 0 HG11 VAL A 83 0.914 -9.233 1.133 1.00 0.32 H new ATOM 0 HG12 VAL A 83 -0.080 -7.950 0.402 1.00 0.32 H new ATOM 0 HG13 VAL A 83 -0.813 -9.520 0.809 1.00 0.32 H new ATOM 0 HG21 VAL A 83 1.582 -11.200 -0.184 1.00 0.38 H new ATOM 0 HG22 VAL A 83 -0.110 -11.590 -0.572 1.00 0.38 H new ATOM 0 HG23 VAL A 83 1.074 -11.365 -1.882 1.00 0.38 H new ATOM 1490 N GLN A 84 -1.361 -6.989 -1.390 1.00 0.24 N ATOM 1491 CA GLN A 84 -1.462 -5.556 -1.611 1.00 0.21 C ATOM 1492 C GLN A 84 -1.363 -4.806 -0.289 1.00 0.21 C ATOM 1493 O GLN A 84 -1.527 -5.392 0.776 1.00 0.25 O ATOM 1494 CB GLN A 84 -2.776 -5.228 -2.322 1.00 0.20 C ATOM 1495 CG GLN A 84 -2.644 -4.145 -3.376 1.00 0.26 C ATOM 1496 CD GLN A 84 -3.921 -3.952 -4.167 1.00 0.30 C ATOM 1497 OE1 GLN A 84 -4.134 -4.602 -5.190 1.00 0.33 O ATOM 1498 NE2 GLN A 84 -4.779 -3.057 -3.695 1.00 0.37 N ATOM 0 H GLN A 84 -1.801 -7.317 -0.530 1.00 0.24 H new ATOM 0 HA GLN A 84 -0.635 -5.237 -2.245 1.00 0.21 H new ATOM 0 HB2 GLN A 84 -3.162 -6.134 -2.790 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -3.511 -4.914 -1.581 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -2.372 -3.205 -2.896 1.00 0.26 H new ATOM 0 HG3 GLN A 84 -1.833 -4.402 -4.057 1.00 0.26 H new ATOM 0 HE21 GLN A 84 -4.560 -2.541 -2.843 1.00 0.37 H new ATOM 0 HE22 GLN A 84 -5.657 -2.885 -4.184 1.00 0.37 H new ATOM 1507 N LEU A 85 -1.099 -3.510 -0.368 1.00 0.19 N ATOM 1508 CA LEU A 85 -0.953 -2.686 0.823 1.00 0.20 C ATOM 1509 C LEU A 85 -1.859 -1.462 0.752 1.00 0.19 C ATOM 1510 O LEU A 85 -2.158 -0.970 -0.332 1.00 0.17 O ATOM 1511 CB LEU A 85 0.505 -2.265 0.955 1.00 0.19 C ATOM 1512 CG LEU A 85 1.091 -2.335 2.363 1.00 0.22 C ATOM 1513 CD1 LEU A 85 2.281 -3.282 2.399 1.00 0.25 C ATOM 1514 CD2 LEU A 85 1.500 -0.949 2.827 1.00 0.22 C ATOM 0 H LEU A 85 -0.981 -3.005 -1.247 1.00 0.19 H new ATOM 0 HA LEU A 85 -1.249 -3.264 1.699 1.00 0.20 H new ATOM 0 HB2 LEU A 85 1.106 -2.895 0.300 1.00 0.19 H new ATOM 0 HB3 LEU A 85 0.603 -1.242 0.591 1.00 0.19 H new ATOM 0 HG LEU A 85 0.328 -2.719 3.040 1.00 0.22 H new ATOM 0 HD11 LEU A 85 2.686 -3.319 3.410 1.00 0.25 H new ATOM 0 HD12 LEU A 85 1.961 -4.280 2.099 1.00 0.25 H new ATOM 0 HD13 LEU A 85 3.050 -2.926 1.713 1.00 0.25 H new ATOM 0 HD21 LEU A 85 1.917 -1.010 3.832 1.00 0.22 H new ATOM 0 HD22 LEU A 85 2.250 -0.544 2.147 1.00 0.22 H new ATOM 0 HD23 LEU A 85 0.627 -0.296 2.835 1.00 0.22 H new ATOM 1526 N ASN A 86 -2.308 -0.984 1.914 1.00 0.21 N ATOM 1527 CA ASN A 86 -3.200 0.179 1.981 1.00 0.22 C ATOM 1528 C ASN A 86 -2.768 1.115 3.068 1.00 0.24 C ATOM 1529 O ASN A 86 -1.844 0.819 3.814 1.00 0.25 O ATOM 1530 CB ASN A 86 -4.619 -0.269 2.308 1.00 0.25 C ATOM 1531 CG ASN A 86 -5.114 -1.301 1.354 1.00 0.25 C ATOM 1532 OD1 ASN A 86 -5.897 -1.004 0.461 1.00 0.29 O ATOM 1533 ND2 ASN A 86 -4.639 -2.516 1.542 1.00 0.26 N ATOM 0 H ASN A 86 -2.070 -1.383 2.822 1.00 0.21 H new ATOM 0 HA ASN A 86 -3.162 0.679 1.013 1.00 0.22 H new ATOM 0 HB2 ASN A 86 -4.648 -0.669 3.322 1.00 0.25 H new ATOM 0 HB3 ASN A 86 -5.285 0.593 2.286 1.00 0.25 H new ATOM 0 HD21 ASN A 86 -4.922 -3.276 0.923 1.00 0.26 H new ATOM 0 HD22 ASN A 86 -3.988 -2.697 2.307 1.00 0.26 H new ATOM 1540 N ALA A 87 -3.401 2.272 3.128 1.00 0.26 N ATOM 1541 CA ALA A 87 -3.118 3.181 4.208 1.00 0.28 C ATOM 1542 C ALA A 87 -4.391 3.872 4.672 1.00 0.32 C ATOM 1543 O ALA A 87 -5.022 4.617 3.925 1.00 0.33 O ATOM 1544 CB ALA A 87 -2.058 4.194 3.802 1.00 0.27 C ATOM 0 H ALA A 87 -4.097 2.594 2.456 1.00 0.26 H new ATOM 0 HA ALA A 87 -2.722 2.606 5.045 1.00 0.28 H new ATOM 0 HB1 ALA A 87 -1.862 4.869 4.635 1.00 0.27 H new ATOM 0 HB2 ALA A 87 -1.139 3.672 3.534 1.00 0.27 H new ATOM 0 HB3 ALA A 87 -2.412 4.768 2.945 1.00 0.27 H new ATOM 1550 N GLY A 88 -4.751 3.615 5.923 1.00 0.36 N ATOM 1551 CA GLY A 88 -5.933 4.212 6.503 1.00 0.40 C ATOM 1552 C GLY A 88 -5.654 5.062 7.733 1.00 0.44 C ATOM 1553 O GLY A 88 -4.833 5.976 7.695 1.00 0.43 O ATOM 0 H GLY A 88 -4.237 2.996 6.550 1.00 0.36 H new ATOM 0 HA2 GLY A 88 -6.423 4.830 5.750 1.00 0.40 H new ATOM 0 HA3 GLY A 88 -6.633 3.421 6.771 1.00 0.40 H new ATOM 1557 N SER A 89 -6.357 4.756 8.829 1.00 0.48 N ATOM 1558 CA SER A 89 -6.229 5.522 10.069 1.00 0.52 C ATOM 1559 C SER A 89 -5.015 5.151 10.944 1.00 0.52 C ATOM 1560 O SER A 89 -4.207 6.028 11.253 1.00 0.52 O ATOM 1561 CB SER A 89 -7.507 5.402 10.901 1.00 0.56 C ATOM 1562 OG SER A 89 -8.617 5.965 10.224 1.00 0.56 O ATOM 0 H SER A 89 -7.020 3.983 8.880 1.00 0.48 H new ATOM 0 HA SER A 89 -6.064 6.550 9.747 1.00 0.52 H new ATOM 0 HB2 SER A 89 -7.705 4.352 11.118 1.00 0.56 H new ATOM 0 HB3 SER A 89 -7.369 5.905 11.858 1.00 0.56 H new ATOM 0 HG SER A 89 -9.420 5.872 10.779 1.00 0.56 H new ATOM 1568 N LYS A 90 -4.880 3.868 11.364 1.00 0.51 N ATOM 1569 CA LYS A 90 -3.739 3.475 12.225 1.00 0.51 C ATOM 1570 C LYS A 90 -2.421 3.572 11.464 1.00 0.47 C ATOM 1571 O LYS A 90 -1.354 3.287 12.005 1.00 0.47 O ATOM 1572 CB LYS A 90 -3.887 2.061 12.853 1.00 0.53 C ATOM 1573 CG LYS A 90 -3.682 0.895 11.905 1.00 0.56 C ATOM 1574 CD LYS A 90 -4.986 0.188 11.583 1.00 0.71 C ATOM 1575 CE LYS A 90 -4.806 -1.321 11.607 1.00 0.94 C ATOM 1576 NZ LYS A 90 -5.727 -1.975 12.577 1.00 1.25 N ATOM 0 H LYS A 90 -5.523 3.112 11.130 1.00 0.51 H new ATOM 0 HA LYS A 90 -3.738 4.186 13.051 1.00 0.51 H new ATOM 0 HB2 LYS A 90 -3.172 1.970 13.671 1.00 0.53 H new ATOM 0 HB3 LYS A 90 -4.883 1.980 13.289 1.00 0.53 H new ATOM 0 HG2 LYS A 90 -3.227 1.254 10.982 1.00 0.56 H new ATOM 0 HG3 LYS A 90 -2.985 0.185 12.349 1.00 0.56 H new ATOM 0 HD2 LYS A 90 -5.749 0.479 12.305 1.00 0.71 H new ATOM 0 HD3 LYS A 90 -5.341 0.500 10.601 1.00 0.71 H new ATOM 0 HE2 LYS A 90 -4.984 -1.724 10.610 1.00 0.94 H new ATOM 0 HE3 LYS A 90 -3.775 -1.559 11.868 1.00 0.94 H new ATOM 0 HZ1 LYS A 90 -5.573 -3.003 12.563 1.00 1.25 H new ATOM 0 HZ2 LYS A 90 -5.541 -1.610 13.533 1.00 1.25 H new ATOM 0 HZ3 LYS A 90 -6.712 -1.769 12.314 1.00 1.25 H new ATOM 1590 N THR A 91 -2.516 3.978 10.209 1.00 0.45 N ATOM 1591 CA THR A 91 -1.365 4.140 9.347 1.00 0.40 C ATOM 1592 C THR A 91 -1.000 5.621 9.236 1.00 0.42 C ATOM 1593 O THR A 91 -1.845 6.445 8.881 1.00 0.45 O ATOM 1594 CB THR A 91 -1.687 3.629 7.932 1.00 0.36 C ATOM 1595 OG1 THR A 91 -2.531 2.479 8.011 1.00 0.36 O ATOM 1596 CG2 THR A 91 -0.421 3.296 7.160 1.00 0.32 C ATOM 0 H THR A 91 -3.403 4.205 9.759 1.00 0.45 H new ATOM 0 HA THR A 91 -0.538 3.574 9.775 1.00 0.40 H new ATOM 0 HB THR A 91 -2.206 4.424 7.396 1.00 0.36 H new ATOM 0 HG1 THR A 91 -2.318 1.972 8.822 1.00 0.36 H new ATOM 0 HG21 THR A 91 -0.685 2.938 6.165 1.00 0.32 H new ATOM 0 HG22 THR A 91 0.197 4.189 7.072 1.00 0.32 H new ATOM 0 HG23 THR A 91 0.134 2.521 7.689 1.00 0.32 H new ATOM 1604 N LYS A 92 0.242 5.964 9.542 1.00 0.41 N ATOM 1605 CA LYS A 92 0.696 7.350 9.446 1.00 0.42 C ATOM 1606 C LYS A 92 1.826 7.450 8.430 1.00 0.39 C ATOM 1607 O LYS A 92 2.924 6.948 8.672 1.00 0.37 O ATOM 1608 CB LYS A 92 1.169 7.865 10.811 1.00 0.46 C ATOM 1609 CG LYS A 92 0.243 8.901 11.436 1.00 0.51 C ATOM 1610 CD LYS A 92 -1.091 8.291 11.838 1.00 0.55 C ATOM 1611 CE LYS A 92 -2.051 9.341 12.374 1.00 0.60 C ATOM 1612 NZ LYS A 92 -3.344 8.739 12.803 1.00 0.67 N ATOM 0 H LYS A 92 0.955 5.306 9.858 1.00 0.41 H new ATOM 0 HA LYS A 92 -0.140 7.968 9.120 1.00 0.42 H new ATOM 0 HB2 LYS A 92 1.266 7.020 11.493 1.00 0.46 H new ATOM 0 HB3 LYS A 92 2.162 8.300 10.700 1.00 0.46 H new ATOM 0 HG2 LYS A 92 0.723 9.337 12.312 1.00 0.51 H new ATOM 0 HG3 LYS A 92 0.074 9.713 10.728 1.00 0.51 H new ATOM 0 HD2 LYS A 92 -1.538 7.795 10.977 1.00 0.55 H new ATOM 0 HD3 LYS A 92 -0.927 7.526 12.597 1.00 0.55 H new ATOM 0 HE2 LYS A 92 -1.592 9.856 13.218 1.00 0.60 H new ATOM 0 HE3 LYS A 92 -2.236 10.091 11.605 1.00 0.60 H new ATOM 0 HZ1 LYS A 92 -4.114 9.420 12.645 1.00 0.67 H new ATOM 0 HZ2 LYS A 92 -3.526 7.877 12.250 1.00 0.67 H new ATOM 0 HZ3 LYS A 92 -3.297 8.499 13.814 1.00 0.67 H new ATOM 1626 N ILE A 93 1.562 8.086 7.289 1.00 0.37 N ATOM 1627 CA ILE A 93 2.592 8.203 6.262 1.00 0.35 C ATOM 1628 C ILE A 93 3.344 9.521 6.387 1.00 0.37 C ATOM 1629 O ILE A 93 2.754 10.554 6.706 1.00 0.40 O ATOM 1630 CB ILE A 93 1.999 8.105 4.842 1.00 0.32 C ATOM 1631 CG1 ILE A 93 0.881 7.061 4.795 1.00 0.31 C ATOM 1632 CG2 ILE A 93 3.094 7.766 3.840 1.00 0.29 C ATOM 1633 CD1 ILE A 93 0.162 7.001 3.464 1.00 0.29 C ATOM 0 H ILE A 93 0.667 8.517 7.057 1.00 0.37 H new ATOM 0 HA ILE A 93 3.279 7.371 6.418 1.00 0.35 H new ATOM 0 HB ILE A 93 1.570 9.071 4.576 1.00 0.32 H new ATOM 0 HG12 ILE A 93 1.302 6.080 5.015 1.00 0.31 H new ATOM 0 HG13 ILE A 93 0.157 7.281 5.580 1.00 0.31 H new ATOM 0 HG21 ILE A 93 2.665 7.699 2.840 1.00 0.29 H new ATOM 0 HG22 ILE A 93 3.856 8.545 3.856 1.00 0.29 H new ATOM 0 HG23 ILE A 93 3.547 6.810 4.105 1.00 0.29 H new ATOM 0 HD11 ILE A 93 -0.617 6.239 3.505 1.00 0.29 H new ATOM 0 HD12 ILE A 93 -0.289 7.970 3.250 1.00 0.29 H new ATOM 0 HD13 ILE A 93 0.873 6.751 2.677 1.00 0.29 H new ATOM 1645 N ALA A 94 4.649 9.481 6.138 1.00 0.36 N ATOM 1646 CA ALA A 94 5.475 10.678 6.225 1.00 0.38 C ATOM 1647 C ALA A 94 6.824 10.474 5.544 1.00 0.36 C ATOM 1648 O ALA A 94 7.330 9.353 5.467 1.00 0.34 O ATOM 1649 CB ALA A 94 5.673 11.084 7.680 1.00 0.41 C ATOM 0 H ALA A 94 5.155 8.635 5.875 1.00 0.36 H new ATOM 0 HA ALA A 94 4.954 11.480 5.703 1.00 0.38 H new ATOM 0 HB1 ALA A 94 6.292 11.980 7.727 1.00 0.41 H new ATOM 0 HB2 ALA A 94 4.704 11.288 8.136 1.00 0.41 H new ATOM 0 HB3 ALA A 94 6.164 10.275 8.220 1.00 0.41 H new ATOM 1655 N GLU A 95 7.402 11.567 5.053 1.00 0.38 N ATOM 1656 CA GLU A 95 8.694 11.514 4.379 1.00 0.37 C ATOM 1657 C GLU A 95 9.801 11.132 5.354 1.00 0.37 C ATOM 1658 O GLU A 95 9.875 11.662 6.461 1.00 0.40 O ATOM 1659 CB GLU A 95 9.010 12.865 3.732 1.00 0.39 C ATOM 1660 CG GLU A 95 7.856 13.438 2.925 1.00 0.40 C ATOM 1661 CD GLU A 95 7.187 14.609 3.615 1.00 0.44 C ATOM 1662 OE1 GLU A 95 7.791 15.702 3.652 1.00 0.46 O ATOM 1663 OE2 GLU A 95 6.056 14.435 4.118 1.00 0.44 O ATOM 0 H GLU A 95 6.995 12.500 5.110 1.00 0.38 H new ATOM 0 HA GLU A 95 8.640 10.751 3.603 1.00 0.37 H new ATOM 0 HB2 GLU A 95 9.286 13.576 4.511 1.00 0.39 H new ATOM 0 HB3 GLU A 95 9.877 12.753 3.081 1.00 0.39 H new ATOM 0 HG2 GLU A 95 8.223 13.757 1.950 1.00 0.40 H new ATOM 0 HG3 GLU A 95 7.118 12.656 2.748 1.00 0.40 H new ATOM 1670 N ALA A 96 10.659 10.208 4.932 1.00 0.36 N ATOM 1671 CA ALA A 96 11.764 9.752 5.769 1.00 0.36 C ATOM 1672 C ALA A 96 13.101 9.935 5.060 1.00 0.37 C ATOM 1673 O ALA A 96 13.222 9.671 3.864 1.00 0.36 O ATOM 1674 CB ALA A 96 11.564 8.294 6.151 1.00 0.34 C ATOM 0 H ALA A 96 10.611 9.761 4.017 1.00 0.36 H new ATOM 0 HA ALA A 96 11.777 10.358 6.675 1.00 0.36 H new ATOM 0 HB1 ALA A 96 12.394 7.964 6.775 1.00 0.34 H new ATOM 0 HB2 ALA A 96 10.630 8.187 6.703 1.00 0.34 H new ATOM 0 HB3 ALA A 96 11.524 7.684 5.249 1.00 0.34 H new ATOM 1680 N SER A 97 14.103 10.394 5.805 1.00 0.39 N ATOM 1681 CA SER A 97 15.434 10.612 5.245 1.00 0.40 C ATOM 1682 C SER A 97 16.426 9.588 5.787 1.00 0.41 C ATOM 1683 O SER A 97 16.584 9.445 7.000 1.00 0.41 O ATOM 1684 CB SER A 97 15.919 12.028 5.562 1.00 0.43 C ATOM 1685 OG SER A 97 15.776 12.319 6.941 1.00 0.44 O ATOM 0 H SER A 97 14.019 10.622 6.796 1.00 0.39 H new ATOM 0 HA SER A 97 15.370 10.492 4.164 1.00 0.40 H new ATOM 0 HB2 SER A 97 16.965 12.131 5.272 1.00 0.43 H new ATOM 0 HB3 SER A 97 15.352 12.750 4.974 1.00 0.43 H new ATOM 0 HG SER A 97 15.962 11.513 7.466 1.00 0.44 H new ATOM 1691 N GLU A 98 17.093 8.879 4.881 1.00 0.41 N ATOM 1692 CA GLU A 98 18.071 7.871 5.271 1.00 0.41 C ATOM 1693 C GLU A 98 19.394 8.088 4.539 1.00 0.44 C ATOM 1694 O GLU A 98 19.715 9.210 4.141 1.00 0.45 O ATOM 1695 CB GLU A 98 17.530 6.469 4.978 1.00 0.40 C ATOM 1696 CG GLU A 98 16.323 6.096 5.824 1.00 0.38 C ATOM 1697 CD GLU A 98 16.694 5.244 7.022 1.00 0.39 C ATOM 1698 OE1 GLU A 98 17.506 4.309 6.859 1.00 0.40 O ATOM 1699 OE2 GLU A 98 16.172 5.514 8.125 1.00 0.39 O ATOM 0 H GLU A 98 16.974 8.984 3.873 1.00 0.41 H new ATOM 0 HA GLU A 98 18.252 7.965 6.342 1.00 0.41 H new ATOM 0 HB2 GLU A 98 17.259 6.406 3.924 1.00 0.40 H new ATOM 0 HB3 GLU A 98 18.322 5.740 5.148 1.00 0.40 H new ATOM 0 HG2 GLU A 98 15.830 7.005 6.168 1.00 0.38 H new ATOM 0 HG3 GLU A 98 15.604 5.557 5.207 1.00 0.38 H new ATOM 1706 N ASP A 99 20.160 7.014 4.368 1.00 0.45 N ATOM 1707 CA ASP A 99 21.447 7.094 3.685 1.00 0.47 C ATOM 1708 C ASP A 99 21.263 7.075 2.169 1.00 0.48 C ATOM 1709 O ASP A 99 22.214 6.832 1.425 1.00 0.50 O ATOM 1710 CB ASP A 99 22.347 5.935 4.115 1.00 0.49 C ATOM 1711 CG ASP A 99 23.006 6.185 5.457 1.00 0.50 C ATOM 1712 OD1 ASP A 99 22.275 6.334 6.459 1.00 0.49 O ATOM 1713 OD2 ASP A 99 24.253 6.234 5.507 1.00 0.52 O ATOM 0 H ASP A 99 19.912 6.079 4.693 1.00 0.45 H new ATOM 0 HA ASP A 99 21.920 8.036 3.963 1.00 0.47 H new ATOM 0 HB2 ASP A 99 21.757 5.020 4.167 1.00 0.49 H new ATOM 0 HB3 ASP A 99 23.116 5.776 3.359 1.00 0.49 H new ATOM 1718 N GLY A 100 20.039 7.329 1.722 1.00 0.45 N ATOM 1719 CA GLY A 100 19.756 7.338 0.296 1.00 0.46 C ATOM 1720 C GLY A 100 19.048 6.079 -0.164 1.00 0.44 C ATOM 1721 O GLY A 100 19.684 5.145 -0.653 1.00 0.46 O ATOM 0 H GLY A 100 19.237 7.529 2.319 1.00 0.45 H new ATOM 0 HA2 GLY A 100 19.140 8.205 0.057 1.00 0.46 H new ATOM 0 HA3 GLY A 100 20.690 7.448 -0.256 1.00 0.46 H new ATOM 1725 N PHE A 101 17.727 6.054 -0.006 1.00 0.41 N ATOM 1726 CA PHE A 101 16.930 4.901 -0.412 1.00 0.40 C ATOM 1727 C PHE A 101 17.067 4.651 -1.914 1.00 0.42 C ATOM 1728 O PHE A 101 17.210 5.594 -2.692 1.00 0.43 O ATOM 1729 CB PHE A 101 15.460 5.122 -0.050 1.00 0.36 C ATOM 1730 CG PHE A 101 14.852 3.991 0.731 1.00 0.35 C ATOM 1731 CD1 PHE A 101 15.262 3.727 2.030 1.00 0.35 C ATOM 1732 CD2 PHE A 101 13.872 3.191 0.167 1.00 0.33 C ATOM 1733 CE1 PHE A 101 14.708 2.686 2.748 1.00 0.34 C ATOM 1734 CE2 PHE A 101 13.315 2.148 0.881 1.00 0.32 C ATOM 1735 CZ PHE A 101 13.734 1.894 2.171 1.00 0.33 C ATOM 0 H PHE A 101 17.187 6.818 0.400 1.00 0.41 H new ATOM 0 HA PHE A 101 17.300 4.024 0.120 1.00 0.40 H new ATOM 0 HB2 PHE A 101 15.372 6.041 0.530 1.00 0.36 H new ATOM 0 HB3 PHE A 101 14.888 5.268 -0.966 1.00 0.36 H new ATOM 0 HD1 PHE A 101 16.024 4.343 2.485 1.00 0.35 H new ATOM 0 HD2 PHE A 101 13.540 3.385 -0.842 1.00 0.33 H new ATOM 0 HE1 PHE A 101 15.035 2.491 3.759 1.00 0.34 H new ATOM 0 HE2 PHE A 101 12.552 1.531 0.430 1.00 0.32 H new ATOM 0 HZ PHE A 101 13.301 1.077 2.729 1.00 0.33 H new ATOM 1745 N PRO A 102 17.029 3.372 -2.342 1.00 0.42 N ATOM 1746 CA PRO A 102 17.152 3.011 -3.761 1.00 0.44 C ATOM 1747 C PRO A 102 16.190 3.793 -4.649 1.00 0.43 C ATOM 1748 O PRO A 102 15.063 4.089 -4.249 1.00 0.40 O ATOM 1749 CB PRO A 102 16.803 1.522 -3.779 1.00 0.44 C ATOM 1750 CG PRO A 102 17.154 1.036 -2.416 1.00 0.44 C ATOM 1751 CD PRO A 102 16.867 2.182 -1.485 1.00 0.41 C ATOM 0 HA PRO A 102 18.144 3.237 -4.152 1.00 0.44 H new ATOM 0 HB2 PRO A 102 15.746 1.365 -3.995 1.00 0.44 H new ATOM 0 HB3 PRO A 102 17.368 0.992 -4.546 1.00 0.44 H new ATOM 0 HG2 PRO A 102 16.564 0.159 -2.150 1.00 0.44 H new ATOM 0 HG3 PRO A 102 18.203 0.743 -2.363 1.00 0.44 H new ATOM 0 HD2 PRO A 102 15.861 2.120 -1.071 1.00 0.41 H new ATOM 0 HD3 PRO A 102 17.558 2.197 -0.642 1.00 0.41 H new ATOM 1759 N GLU A 103 16.643 4.125 -5.854 1.00 0.46 N ATOM 1760 CA GLU A 103 15.826 4.873 -6.802 1.00 0.46 C ATOM 1761 C GLU A 103 14.741 3.985 -7.404 1.00 0.45 C ATOM 1762 O GLU A 103 14.836 2.759 -7.366 1.00 0.45 O ATOM 1763 CB GLU A 103 16.699 5.453 -7.916 1.00 0.50 C ATOM 1764 CG GLU A 103 16.173 6.762 -8.484 1.00 0.50 C ATOM 1765 CD GLU A 103 17.190 7.466 -9.360 1.00 0.54 C ATOM 1766 OE1 GLU A 103 18.218 7.929 -8.825 1.00 0.55 O ATOM 1767 OE2 GLU A 103 16.959 7.554 -10.586 1.00 0.56 O ATOM 0 H GLU A 103 17.574 3.887 -6.197 1.00 0.46 H new ATOM 0 HA GLU A 103 15.347 5.690 -6.263 1.00 0.46 H new ATOM 0 HB2 GLU A 103 17.706 5.613 -7.531 1.00 0.50 H new ATOM 0 HB3 GLU A 103 16.778 4.723 -8.722 1.00 0.50 H new ATOM 0 HG2 GLU A 103 15.272 6.566 -9.065 1.00 0.50 H new ATOM 0 HG3 GLU A 103 15.887 7.421 -7.664 1.00 0.50 H new ATOM 1774 N SER A 104 13.711 4.615 -7.959 1.00 0.43 N ATOM 1775 CA SER A 104 12.604 3.886 -8.572 1.00 0.42 C ATOM 1776 C SER A 104 13.075 3.096 -9.788 1.00 0.46 C ATOM 1777 O SER A 104 12.485 2.074 -10.141 1.00 0.45 O ATOM 1778 CB SER A 104 11.492 4.857 -8.978 1.00 0.41 C ATOM 1779 OG SER A 104 11.288 5.846 -7.984 1.00 0.39 O ATOM 0 H SER A 104 13.619 5.630 -7.997 1.00 0.43 H new ATOM 0 HA SER A 104 12.214 3.182 -7.837 1.00 0.42 H new ATOM 0 HB2 SER A 104 11.750 5.335 -9.923 1.00 0.41 H new ATOM 0 HB3 SER A 104 10.566 4.306 -9.142 1.00 0.41 H new ATOM 0 HG SER A 104 10.359 5.810 -7.673 1.00 0.39 H new ATOM 1785 N SER A 105 14.137 3.577 -10.426 1.00 0.49 N ATOM 1786 CA SER A 105 14.685 2.915 -11.605 1.00 0.53 C ATOM 1787 C SER A 105 15.595 1.756 -11.209 1.00 0.55 C ATOM 1788 O SER A 105 16.074 1.011 -12.064 1.00 0.58 O ATOM 1789 CB SER A 105 15.461 3.916 -12.463 1.00 0.56 C ATOM 1790 OG SER A 105 14.898 4.020 -13.761 1.00 0.58 O ATOM 0 H SER A 105 14.635 4.422 -10.147 1.00 0.49 H new ATOM 0 HA SER A 105 13.852 2.516 -12.185 1.00 0.53 H new ATOM 0 HB2 SER A 105 15.455 4.894 -11.981 1.00 0.56 H new ATOM 0 HB3 SER A 105 16.503 3.604 -12.539 1.00 0.56 H new ATOM 0 HG SER A 105 15.411 4.667 -14.289 1.00 0.58 H new ATOM 1796 N GLN A 106 15.829 1.615 -9.909 1.00 0.52 N ATOM 1797 CA GLN A 106 16.679 0.546 -9.397 1.00 0.54 C ATOM 1798 C GLN A 106 15.930 -0.300 -8.373 1.00 0.51 C ATOM 1799 O GLN A 106 16.522 -1.130 -7.686 1.00 0.52 O ATOM 1800 CB GLN A 106 17.945 1.130 -8.765 1.00 0.55 C ATOM 1801 CG GLN A 106 18.638 2.168 -9.632 1.00 0.58 C ATOM 1802 CD GLN A 106 20.067 2.432 -9.201 1.00 0.60 C ATOM 1803 OE1 GLN A 106 20.477 3.581 -9.036 1.00 0.60 O ATOM 1804 NE2 GLN A 106 20.835 1.363 -9.014 1.00 0.62 N ATOM 0 H GLN A 106 15.442 2.227 -9.191 1.00 0.52 H new ATOM 0 HA GLN A 106 16.961 -0.093 -10.234 1.00 0.54 H new ATOM 0 HB2 GLN A 106 17.687 1.583 -7.808 1.00 0.55 H new ATOM 0 HB3 GLN A 106 18.643 0.319 -8.556 1.00 0.55 H new ATOM 0 HG2 GLN A 106 18.632 1.832 -10.669 1.00 0.58 H new ATOM 0 HG3 GLN A 106 18.074 3.100 -9.596 1.00 0.58 H new ATOM 0 HE21 GLN A 106 20.454 0.429 -9.162 1.00 0.62 H new ATOM 0 HE22 GLN A 106 21.806 1.477 -8.722 1.00 0.62 H new ATOM 1813 N ILE A 107 14.622 -0.081 -8.280 1.00 0.48 N ATOM 1814 CA ILE A 107 13.787 -0.819 -7.342 1.00 0.45 C ATOM 1815 C ILE A 107 13.135 -2.029 -8.019 1.00 0.46 C ATOM 1816 O ILE A 107 12.417 -1.878 -9.009 1.00 0.46 O ATOM 1817 CB ILE A 107 12.689 0.091 -6.738 1.00 0.40 C ATOM 1818 CG1 ILE A 107 13.243 0.854 -5.533 1.00 0.39 C ATOM 1819 CG2 ILE A 107 11.461 -0.716 -6.334 1.00 0.38 C ATOM 1820 CD1 ILE A 107 12.461 2.106 -5.199 1.00 0.36 C ATOM 0 H ILE A 107 14.118 0.603 -8.844 1.00 0.48 H new ATOM 0 HA ILE A 107 14.435 -1.170 -6.539 1.00 0.45 H new ATOM 0 HB ILE A 107 12.383 0.805 -7.503 1.00 0.40 H new ATOM 0 HG12 ILE A 107 13.245 0.194 -4.665 1.00 0.39 H new ATOM 0 HG13 ILE A 107 14.280 1.125 -5.730 1.00 0.39 H new ATOM 0 HG21 ILE A 107 10.709 -0.048 -5.914 1.00 0.38 H new ATOM 0 HG22 ILE A 107 11.051 -1.218 -7.210 1.00 0.38 H new ATOM 0 HG23 ILE A 107 11.743 -1.460 -5.589 1.00 0.38 H new ATOM 0 HD11 ILE A 107 12.910 2.596 -4.335 1.00 0.36 H new ATOM 0 HD12 ILE A 107 12.480 2.785 -6.051 1.00 0.36 H new ATOM 0 HD13 ILE A 107 11.429 1.840 -4.970 1.00 0.36 H new ATOM 1832 N PRO A 108 13.385 -3.250 -7.501 1.00 0.47 N ATOM 1833 CA PRO A 108 12.806 -4.478 -8.061 1.00 0.48 C ATOM 1834 C PRO A 108 11.289 -4.396 -8.188 1.00 0.45 C ATOM 1835 O PRO A 108 10.650 -3.526 -7.595 1.00 0.41 O ATOM 1836 CB PRO A 108 13.201 -5.555 -7.048 1.00 0.49 C ATOM 1837 CG PRO A 108 14.429 -5.026 -6.395 1.00 0.50 C ATOM 1838 CD PRO A 108 14.254 -3.535 -6.342 1.00 0.47 C ATOM 0 HA PRO A 108 13.167 -4.674 -9.071 1.00 0.48 H new ATOM 0 HB2 PRO A 108 12.407 -5.725 -6.320 1.00 0.49 H new ATOM 0 HB3 PRO A 108 13.393 -6.509 -7.539 1.00 0.49 H new ATOM 0 HG2 PRO A 108 14.550 -5.441 -5.395 1.00 0.50 H new ATOM 0 HG3 PRO A 108 15.320 -5.295 -6.962 1.00 0.50 H new ATOM 0 HD2 PRO A 108 13.793 -3.218 -5.407 1.00 0.47 H new ATOM 0 HD3 PRO A 108 15.209 -3.016 -6.419 1.00 0.47 H new ATOM 1846 N GLU A 109 10.718 -5.309 -8.967 1.00 0.47 N ATOM 1847 CA GLU A 109 9.275 -5.338 -9.185 1.00 0.44 C ATOM 1848 C GLU A 109 8.676 -6.657 -8.706 1.00 0.44 C ATOM 1849 O GLU A 109 7.516 -6.959 -8.986 1.00 0.43 O ATOM 1850 CB GLU A 109 8.957 -5.127 -10.667 1.00 0.46 C ATOM 1851 CG GLU A 109 9.797 -5.984 -11.600 1.00 0.51 C ATOM 1852 CD GLU A 109 9.288 -5.963 -13.028 1.00 0.53 C ATOM 1853 OE1 GLU A 109 8.285 -6.652 -13.312 1.00 0.52 O ATOM 1854 OE2 GLU A 109 9.892 -5.256 -13.863 1.00 0.55 O ATOM 0 H GLU A 109 11.233 -6.040 -9.459 1.00 0.47 H new ATOM 0 HA GLU A 109 8.830 -4.528 -8.606 1.00 0.44 H new ATOM 0 HB2 GLU A 109 7.903 -5.345 -10.838 1.00 0.46 H new ATOM 0 HB3 GLU A 109 9.110 -4.077 -10.916 1.00 0.46 H new ATOM 0 HG2 GLU A 109 10.828 -5.632 -11.581 1.00 0.51 H new ATOM 0 HG3 GLU A 109 9.804 -7.011 -11.236 1.00 0.51 H new ATOM 1861 N ASN A 110 9.477 -7.439 -7.988 1.00 0.46 N ATOM 1862 CA ASN A 110 9.027 -8.726 -7.468 1.00 0.48 C ATOM 1863 C ASN A 110 7.753 -8.570 -6.642 1.00 0.44 C ATOM 1864 O ASN A 110 7.717 -7.806 -5.677 1.00 0.41 O ATOM 1865 CB ASN A 110 10.125 -9.367 -6.615 1.00 0.50 C ATOM 1866 CG ASN A 110 10.134 -10.879 -6.723 1.00 0.54 C ATOM 1867 OD1 ASN A 110 9.235 -11.554 -6.221 1.00 0.53 O ATOM 1868 ND2 ASN A 110 11.152 -11.421 -7.382 1.00 0.58 N ATOM 0 H ASN A 110 10.441 -7.204 -7.753 1.00 0.46 H new ATOM 0 HA ASN A 110 8.809 -9.373 -8.317 1.00 0.48 H new ATOM 0 HB2 ASN A 110 11.095 -8.978 -6.924 1.00 0.50 H new ATOM 0 HB3 ASN A 110 9.985 -9.081 -5.573 1.00 0.50 H new ATOM 0 HD21 ASN A 110 11.210 -12.434 -7.488 1.00 0.58 H new ATOM 0 HD22 ASN A 110 11.876 -10.824 -7.783 1.00 0.58 H new ATOM 1875 N THR A 111 6.711 -9.299 -7.032 1.00 0.44 N ATOM 1876 CA THR A 111 5.433 -9.245 -6.334 1.00 0.41 C ATOM 1877 C THR A 111 5.380 -10.276 -5.207 1.00 0.42 C ATOM 1878 O THR A 111 5.378 -11.480 -5.463 1.00 0.45 O ATOM 1879 CB THR A 111 4.259 -9.500 -7.298 1.00 0.40 C ATOM 1880 OG1 THR A 111 4.754 -9.811 -8.605 1.00 0.44 O ATOM 1881 CG2 THR A 111 3.348 -8.284 -7.374 1.00 0.36 C ATOM 0 H THR A 111 6.728 -9.935 -7.829 1.00 0.44 H new ATOM 0 HA THR A 111 5.341 -8.243 -5.914 1.00 0.41 H new ATOM 0 HB THR A 111 3.684 -10.344 -6.917 1.00 0.40 H new ATOM 0 HG1 THR A 111 4.000 -9.973 -9.210 1.00 0.44 H new ATOM 0 HG21 THR A 111 2.526 -8.487 -8.061 1.00 0.36 H new ATOM 0 HG22 THR A 111 2.948 -8.067 -6.384 1.00 0.36 H new ATOM 0 HG23 THR A 111 3.916 -7.426 -7.732 1.00 0.36 H new ATOM 1889 N PRO A 112 5.338 -9.821 -3.937 1.00 0.40 N ATOM 1890 CA PRO A 112 5.285 -10.722 -2.778 1.00 0.42 C ATOM 1891 C PRO A 112 4.091 -11.668 -2.831 1.00 0.43 C ATOM 1892 O PRO A 112 2.987 -11.272 -3.205 1.00 0.40 O ATOM 1893 CB PRO A 112 5.158 -9.769 -1.586 1.00 0.38 C ATOM 1894 CG PRO A 112 5.704 -8.473 -2.075 1.00 0.36 C ATOM 1895 CD PRO A 112 5.342 -8.403 -3.529 1.00 0.36 C ATOM 0 HA PRO A 112 6.160 -11.370 -2.730 1.00 0.42 H new ATOM 0 HB2 PRO A 112 4.120 -9.667 -1.270 1.00 0.38 H new ATOM 0 HB3 PRO A 112 5.718 -10.135 -0.726 1.00 0.38 H new ATOM 0 HG2 PRO A 112 5.276 -7.635 -1.524 1.00 0.36 H new ATOM 0 HG3 PRO A 112 6.784 -8.426 -1.938 1.00 0.36 H new ATOM 0 HD2 PRO A 112 4.369 -7.936 -3.681 1.00 0.36 H new ATOM 0 HD3 PRO A 112 6.067 -7.821 -4.098 1.00 0.36 H new ATOM 1903 N THR A 113 4.322 -12.922 -2.452 1.00 0.46 N ATOM 1904 CA THR A 113 3.267 -13.930 -2.454 1.00 0.48 C ATOM 1905 C THR A 113 3.535 -15.006 -1.406 1.00 0.51 C ATOM 1906 O THR A 113 4.597 -15.628 -1.400 1.00 0.54 O ATOM 1907 CB THR A 113 3.132 -14.600 -3.834 1.00 0.50 C ATOM 1908 OG1 THR A 113 3.907 -13.886 -4.806 1.00 0.49 O ATOM 1909 CG2 THR A 113 1.677 -14.642 -4.276 1.00 0.49 C ATOM 0 H THR A 113 5.231 -13.264 -2.140 1.00 0.46 H new ATOM 0 HA THR A 113 2.337 -13.414 -2.216 1.00 0.48 H new ATOM 0 HB THR A 113 3.502 -15.622 -3.752 1.00 0.50 H new ATOM 0 HG1 THR A 113 3.816 -14.320 -5.680 1.00 0.49 H new ATOM 0 HG21 THR A 113 1.607 -15.120 -5.253 1.00 0.49 H new ATOM 0 HG22 THR A 113 1.093 -15.210 -3.552 1.00 0.49 H new ATOM 0 HG23 THR A 113 1.287 -13.626 -4.340 1.00 0.49 H new ATOM 1917 N ALA A 114 2.564 -15.219 -0.521 1.00 0.51 N ATOM 1918 CA ALA A 114 2.695 -16.218 0.535 1.00 0.54 C ATOM 1919 C ALA A 114 2.773 -17.624 -0.049 1.00 0.58 C ATOM 1920 O ALA A 114 2.445 -17.842 -1.214 1.00 0.58 O ATOM 1921 CB ALA A 114 1.531 -16.112 1.508 1.00 0.53 C ATOM 0 H ALA A 114 1.678 -14.713 -0.515 1.00 0.51 H new ATOM 0 HA ALA A 114 3.623 -16.024 1.074 1.00 0.54 H new ATOM 0 HB1 ALA A 114 1.641 -16.863 2.290 1.00 0.53 H new ATOM 0 HB2 ALA A 114 1.521 -15.119 1.957 1.00 0.53 H new ATOM 0 HB3 ALA A 114 0.595 -16.278 0.975 1.00 0.53 H new ATOM 1927 N ARG A 115 3.214 -18.576 0.772 1.00 0.61 N ATOM 1928 CA ARG A 115 3.336 -19.962 0.337 1.00 0.65 C ATOM 1929 C ARG A 115 2.021 -20.712 0.530 1.00 0.66 C ATOM 1930 O ARG A 115 1.331 -20.524 1.534 1.00 0.66 O ATOM 1931 CB ARG A 115 4.456 -20.667 1.109 1.00 0.69 C ATOM 1932 CG ARG A 115 4.351 -20.508 2.617 1.00 0.69 C ATOM 1933 CD ARG A 115 5.574 -21.072 3.321 1.00 0.72 C ATOM 1934 NE ARG A 115 6.815 -20.499 2.807 1.00 0.71 N ATOM 1935 CZ ARG A 115 7.867 -21.225 2.437 1.00 0.74 C ATOM 1936 NH1 ARG A 115 7.834 -22.547 2.536 1.00 0.78 N ATOM 1937 NH2 ARG A 115 8.955 -20.627 1.971 1.00 0.73 N ATOM 0 H ARG A 115 3.492 -18.411 1.740 1.00 0.61 H new ATOM 0 HA ARG A 115 3.581 -19.961 -0.725 1.00 0.65 H new ATOM 0 HB2 ARG A 115 4.443 -21.729 0.862 1.00 0.69 H new ATOM 0 HB3 ARG A 115 5.417 -20.275 0.777 1.00 0.69 H new ATOM 0 HG2 ARG A 115 4.240 -19.453 2.866 1.00 0.69 H new ATOM 0 HG3 ARG A 115 3.456 -21.016 2.976 1.00 0.69 H new ATOM 0 HD2 ARG A 115 5.500 -20.875 4.390 1.00 0.72 H new ATOM 0 HD3 ARG A 115 5.596 -22.155 3.197 1.00 0.72 H new ATOM 0 HE ARG A 115 6.879 -19.484 2.727 1.00 0.71 H new ATOM 0 HH11 ARG A 115 7.000 -23.011 2.897 1.00 0.78 H new ATOM 0 HH12 ARG A 115 8.642 -23.100 2.251 1.00 0.78 H new ATOM 0 HH21 ARG A 115 8.986 -19.610 1.896 1.00 0.73 H new ATOM 0 HH22 ARG A 115 9.761 -21.184 1.687 1.00 0.73 H new ATOM 1951 N ARG A 116 1.684 -21.559 -0.435 1.00 0.68 N ATOM 1952 CA ARG A 116 0.453 -22.340 -0.375 1.00 0.70 C ATOM 1953 C ARG A 116 0.760 -23.827 -0.222 1.00 0.74 C ATOM 1954 O ARG A 116 1.786 -24.310 -0.700 1.00 0.77 O ATOM 1955 CB ARG A 116 -0.385 -22.106 -1.633 1.00 0.68 C ATOM 1956 CG ARG A 116 -1.105 -20.769 -1.645 1.00 0.64 C ATOM 1957 CD ARG A 116 -2.030 -20.646 -2.845 1.00 0.63 C ATOM 1958 NE ARG A 116 -1.514 -19.711 -3.842 1.00 0.60 N ATOM 1959 CZ ARG A 116 -1.539 -18.389 -3.700 1.00 0.56 C ATOM 1960 NH1 ARG A 116 -2.052 -17.846 -2.604 1.00 0.55 N ATOM 1961 NH2 ARG A 116 -1.049 -17.609 -4.653 1.00 0.55 N ATOM 0 H ARG A 116 2.246 -21.723 -1.270 1.00 0.68 H new ATOM 0 HA ARG A 116 -0.114 -22.013 0.496 1.00 0.70 H new ATOM 0 HB2 ARG A 116 0.263 -22.168 -2.507 1.00 0.68 H new ATOM 0 HB3 ARG A 116 -1.120 -22.906 -1.724 1.00 0.68 H new ATOM 0 HG2 ARG A 116 -1.681 -20.657 -0.727 1.00 0.64 H new ATOM 0 HG3 ARG A 116 -0.374 -19.961 -1.663 1.00 0.64 H new ATOM 0 HD2 ARG A 116 -2.162 -21.627 -3.302 1.00 0.63 H new ATOM 0 HD3 ARG A 116 -3.013 -20.314 -2.512 1.00 0.63 H new ATOM 0 HE ARG A 116 -1.111 -20.095 -4.697 1.00 0.60 H new ATOM 0 HH11 ARG A 116 -2.429 -18.443 -1.867 1.00 0.55 H new ATOM 0 HH12 ARG A 116 -2.070 -16.832 -2.498 1.00 0.55 H new ATOM 0 HH21 ARG A 116 -0.652 -18.023 -5.497 1.00 0.55 H new ATOM 0 HH22 ARG A 116 -1.069 -16.595 -4.543 1.00 0.55 H new ATOM 1975 N ARG A 117 -0.140 -24.546 0.444 1.00 0.76 N ATOM 1976 CA ARG A 117 0.035 -25.978 0.659 1.00 0.80 C ATOM 1977 C ARG A 117 -0.350 -26.765 -0.589 1.00 0.82 C ATOM 1978 O ARG A 117 0.455 -27.646 -0.987 1.00 0.85 O ATOM 1979 CB ARG A 117 -0.806 -26.442 1.850 1.00 0.82 C ATOM 1980 CG ARG A 117 -0.704 -25.531 3.061 1.00 0.80 C ATOM 1981 CD ARG A 117 -1.594 -26.012 4.195 1.00 0.81 C ATOM 1982 NE ARG A 117 -2.928 -25.423 4.128 1.00 0.79 N ATOM 1983 CZ ARG A 117 -3.911 -25.717 4.976 1.00 0.81 C ATOM 1984 NH1 ARG A 117 -3.709 -26.590 5.954 1.00 0.84 N ATOM 1985 NH2 ARG A 117 -5.095 -25.136 4.847 1.00 0.79 N ATOM 1986 OXT ARG A 117 -1.428 -26.504 -1.216 1.00 0.81 O ATOM 0 H ARG A 117 -0.996 -24.161 0.843 1.00 0.76 H new ATOM 0 HA ARG A 117 1.088 -26.163 0.873 1.00 0.80 H new ATOM 0 HB2 ARG A 117 -1.850 -26.508 1.543 1.00 0.82 H new ATOM 0 HB3 ARG A 117 -0.494 -27.447 2.135 1.00 0.82 H new ATOM 0 HG2 ARG A 117 0.331 -25.490 3.401 1.00 0.80 H new ATOM 0 HG3 ARG A 117 -0.987 -24.517 2.780 1.00 0.80 H new ATOM 0 HD2 ARG A 117 -1.675 -27.098 4.157 1.00 0.81 H new ATOM 0 HD3 ARG A 117 -1.133 -25.760 5.150 1.00 0.81 H new ATOM 0 HE ARG A 117 -3.118 -24.747 3.388 1.00 0.79 H new ATOM 0 HH11 ARG A 117 -2.799 -27.038 6.058 1.00 0.84 H new ATOM 0 HH12 ARG A 117 -4.464 -26.813 6.602 1.00 0.84 H new ATOM 0 HH21 ARG A 117 -5.254 -24.463 4.097 1.00 0.79 H new ATOM 0 HH22 ARG A 117 -5.848 -25.362 5.497 1.00 0.79 H new