USER MOD reduce.3.24.130724 H: found=0, std=0, add=889, rem=0, adj=21 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 77 THR OG1 : rot 14:sc= 0.306 USER MOD Set 1.2: A 86 ASN : amide:sc= -2.13! C(o=-1.8!,f=-4.6!) USER MOD Set 2.1: A 54 THR OG1 : rot 71:sc= 0.108 USER MOD Set 2.2: A 84 GLN : amide:sc= 0.0137 X(o=0.12,f=0.071) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= -0.0879 (180deg=-0.232) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.0489 X(o=-0.049,f=-0.41) 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 -122:sc= 0 (180deg=-0.532) USER MOD Single : A 14 SER OG : rot 46:sc= 0.00305 USER MOD Single : A 16 ASN : amide:sc= -0.691 K(o=-0.69,f=-0.099) 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=-0.33) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 120:sc= -0.0921 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -175:sc= 1.13 USER MOD Single : A 48 THR OG1 : rot -33:sc= 1.23 USER MOD Single : A 52 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000749) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -3.95! C(o=-4!,f=-2.9!) 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= -13.4! C(o=-13!,f=-14!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -4.99! C(o=-5!,f=-7.1!) USER MOD Single : A 76 THR OG1 : rot -129:sc= -1.06! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.22) 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 -34:sc= -0.0422 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 37:sc= 0.0626 USER MOD Single : A 104 SER OG : rot -123:sc= 0.0747 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.523 X(o=-0.52,f=-0.041) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.0524 USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.056 USER MOD ----------------------------------------------------------------- ATOM 193 N MET A 1 11.401 -2.040 13.858 1.00 0.49 N ATOM 194 CA MET A 1 9.988 -2.494 13.917 1.00 0.49 C ATOM 195 C MET A 1 9.322 -2.395 12.550 1.00 0.45 C ATOM 196 O MET A 1 8.096 -2.426 12.441 1.00 0.44 O ATOM 197 CB MET A 1 9.209 -1.657 14.936 1.00 0.50 C ATOM 198 CG MET A 1 9.649 -1.883 16.372 1.00 0.54 C ATOM 199 SD MET A 1 8.261 -2.157 17.489 1.00 0.57 S ATOM 200 CE MET A 1 9.035 -3.163 18.752 1.00 0.61 C ATOM 0 H1 MET A 1 11.795 -2.005 14.820 1.00 0.49 H new ATOM 0 H2 MET A 1 11.955 -2.704 13.281 1.00 0.49 H new ATOM 0 H3 MET A 1 11.444 -1.092 13.432 1.00 0.49 H new ATOM 0 HA MET A 1 9.982 -3.539 14.226 1.00 0.49 H new ATOM 0 HB2 MET A 1 9.325 -0.601 14.691 1.00 0.50 H new ATOM 0 HB3 MET A 1 8.148 -1.889 14.849 1.00 0.50 H new ATOM 0 HG2 MET A 1 10.318 -2.743 16.412 1.00 0.54 H new ATOM 0 HG3 MET A 1 10.220 -1.019 16.713 1.00 0.54 H new ATOM 0 HE1 MET A 1 8.301 -3.415 19.517 1.00 0.61 H new ATOM 0 HE2 MET A 1 9.420 -4.079 18.303 1.00 0.61 H new ATOM 0 HE3 MET A 1 9.856 -2.609 19.206 1.00 0.61 H new ATOM 212 N GLU A 2 10.138 -2.272 11.508 1.00 0.43 N ATOM 213 CA GLU A 2 9.627 -2.167 10.145 1.00 0.40 C ATOM 214 C GLU A 2 10.123 -3.326 9.288 1.00 0.40 C ATOM 215 O GLU A 2 11.321 -3.611 9.242 1.00 0.42 O ATOM 216 CB GLU A 2 10.051 -0.838 9.517 1.00 0.38 C ATOM 217 CG GLU A 2 11.460 -0.407 9.891 1.00 0.39 C ATOM 218 CD GLU A 2 11.479 0.850 10.737 1.00 0.40 C ATOM 219 OE1 GLU A 2 10.797 1.827 10.365 1.00 0.38 O ATOM 220 OE2 GLU A 2 12.181 0.861 11.771 1.00 0.42 O ATOM 0 H GLU A 2 11.155 -2.243 11.581 1.00 0.43 H new ATOM 0 HA GLU A 2 8.539 -2.209 10.189 1.00 0.40 H new ATOM 0 HB2 GLU A 2 9.982 -0.920 8.432 1.00 0.38 H new ATOM 0 HB3 GLU A 2 9.350 -0.062 9.823 1.00 0.38 H new ATOM 0 HG2 GLU A 2 11.951 -1.214 10.435 1.00 0.39 H new ATOM 0 HG3 GLU A 2 12.038 -0.238 8.982 1.00 0.39 H new ATOM 227 N GLU A 3 9.195 -3.992 8.608 1.00 0.39 N ATOM 228 CA GLU A 3 9.537 -5.121 7.751 1.00 0.40 C ATOM 229 C GLU A 3 9.695 -4.681 6.296 1.00 0.37 C ATOM 230 O GLU A 3 9.382 -3.542 5.946 1.00 0.35 O ATOM 231 CB GLU A 3 8.472 -6.213 7.859 1.00 0.41 C ATOM 232 CG GLU A 3 7.207 -5.920 7.065 1.00 0.38 C ATOM 233 CD GLU A 3 5.984 -6.602 7.648 1.00 0.39 C ATOM 234 OE1 GLU A 3 5.747 -7.783 7.312 1.00 0.41 O ATOM 235 OE2 GLU A 3 5.264 -5.956 8.436 1.00 0.39 O ATOM 0 H GLU A 3 8.200 -3.769 8.634 1.00 0.39 H new ATOM 0 HA GLU A 3 10.492 -5.523 8.090 1.00 0.40 H new ATOM 0 HB2 GLU A 3 8.896 -7.156 7.514 1.00 0.41 H new ATOM 0 HB3 GLU A 3 8.208 -6.347 8.908 1.00 0.41 H new ATOM 0 HG2 GLU A 3 7.040 -4.843 7.038 1.00 0.38 H new ATOM 0 HG3 GLU A 3 7.345 -6.247 6.034 1.00 0.38 H new ATOM 242 N LYS A 4 10.185 -5.589 5.458 1.00 0.39 N ATOM 243 CA LYS A 4 10.388 -5.302 4.042 1.00 0.37 C ATOM 244 C LYS A 4 9.218 -5.811 3.208 1.00 0.36 C ATOM 245 O LYS A 4 8.318 -6.477 3.719 1.00 0.37 O ATOM 246 CB LYS A 4 11.692 -5.941 3.559 1.00 0.41 C ATOM 247 CG LYS A 4 11.973 -7.303 4.170 1.00 0.44 C ATOM 248 CD LYS A 4 12.824 -7.191 5.424 1.00 0.46 C ATOM 249 CE LYS A 4 14.293 -7.445 5.127 1.00 0.49 C ATOM 250 NZ LYS A 4 14.963 -8.187 6.229 1.00 0.52 N ATOM 0 H LYS A 4 10.450 -6.534 5.737 1.00 0.39 H new ATOM 0 HA LYS A 4 10.450 -4.221 3.919 1.00 0.37 H new ATOM 0 HB2 LYS A 4 11.656 -6.041 2.474 1.00 0.41 H new ATOM 0 HB3 LYS A 4 12.521 -5.272 3.791 1.00 0.41 H new ATOM 0 HG2 LYS A 4 11.031 -7.795 4.412 1.00 0.44 H new ATOM 0 HG3 LYS A 4 12.482 -7.932 3.439 1.00 0.44 H new ATOM 0 HD2 LYS A 4 12.706 -6.198 5.857 1.00 0.46 H new ATOM 0 HD3 LYS A 4 12.473 -7.907 6.168 1.00 0.46 H new ATOM 0 HE2 LYS A 4 14.383 -8.012 4.201 1.00 0.49 H new ATOM 0 HE3 LYS A 4 14.801 -6.494 4.969 1.00 0.49 H new ATOM 0 HZ1 LYS A 4 15.963 -8.340 5.987 1.00 0.52 H new ATOM 0 HZ2 LYS A 4 14.900 -7.635 7.108 1.00 0.52 H new ATOM 0 HZ3 LYS A 4 14.495 -9.106 6.363 1.00 0.52 H new ATOM 264 N VAL A 5 9.237 -5.488 1.917 1.00 0.35 N ATOM 265 CA VAL A 5 8.183 -5.909 1.002 1.00 0.34 C ATOM 266 C VAL A 5 8.288 -7.399 0.690 1.00 0.37 C ATOM 267 O VAL A 5 7.278 -8.087 0.554 1.00 0.37 O ATOM 268 CB VAL A 5 8.239 -5.107 -0.317 1.00 0.32 C ATOM 269 CG1 VAL A 5 7.140 -5.548 -1.268 1.00 0.31 C ATOM 270 CG2 VAL A 5 8.139 -3.614 -0.040 1.00 0.29 C ATOM 0 H VAL A 5 9.974 -4.934 1.481 1.00 0.35 H new ATOM 0 HA VAL A 5 7.231 -5.715 1.497 1.00 0.34 H new ATOM 0 HB VAL A 5 9.199 -5.306 -0.793 1.00 0.32 H new ATOM 0 HG11 VAL A 5 7.201 -4.968 -2.189 1.00 0.31 H new ATOM 0 HG12 VAL A 5 7.260 -6.607 -1.497 1.00 0.31 H new ATOM 0 HG13 VAL A 5 6.168 -5.386 -0.801 1.00 0.31 H new ATOM 0 HG21 VAL A 5 8.180 -3.066 -0.981 1.00 0.29 H new ATOM 0 HG22 VAL A 5 7.196 -3.400 0.464 1.00 0.29 H new ATOM 0 HG23 VAL A 5 8.969 -3.306 0.596 1.00 0.29 H new ATOM 280 N GLY A 6 9.519 -7.892 0.583 1.00 0.41 N ATOM 281 CA GLY A 6 9.733 -9.294 0.286 1.00 0.44 C ATOM 282 C GLY A 6 9.512 -10.188 1.491 1.00 0.46 C ATOM 283 O GLY A 6 9.725 -11.400 1.419 1.00 0.50 O ATOM 0 H GLY A 6 10.371 -7.343 0.697 1.00 0.41 H new ATOM 0 HA2 GLY A 6 9.060 -9.598 -0.515 1.00 0.44 H new ATOM 0 HA3 GLY A 6 10.750 -9.432 -0.082 1.00 0.44 H new ATOM 287 N ASN A 7 9.085 -9.594 2.601 1.00 0.44 N ATOM 288 CA ASN A 7 8.839 -10.347 3.826 1.00 0.47 C ATOM 289 C ASN A 7 7.450 -10.057 4.385 1.00 0.44 C ATOM 290 O ASN A 7 7.062 -10.607 5.416 1.00 0.46 O ATOM 291 CB ASN A 7 9.896 -10.004 4.871 1.00 0.48 C ATOM 292 CG ASN A 7 10.139 -11.136 5.849 1.00 0.52 C ATOM 293 OD1 ASN A 7 10.261 -12.297 5.457 1.00 0.54 O ATOM 294 ND2 ASN A 7 10.211 -10.801 7.133 1.00 0.52 N ATOM 0 H ASN A 7 8.902 -8.593 2.677 1.00 0.44 H new ATOM 0 HA ASN A 7 8.895 -11.408 3.584 1.00 0.47 H new ATOM 0 HB2 ASN A 7 10.831 -9.756 4.369 1.00 0.48 H new ATOM 0 HB3 ASN A 7 9.584 -9.116 5.420 1.00 0.48 H new ATOM 0 HD21 ASN A 7 10.373 -11.519 7.839 1.00 0.52 H new ATOM 0 HD22 ASN A 7 10.104 -9.826 7.412 1.00 0.52 H new ATOM 301 N LEU A 8 6.703 -9.191 3.706 1.00 0.41 N ATOM 302 CA LEU A 8 5.362 -8.835 4.149 1.00 0.39 C ATOM 303 C LEU A 8 4.364 -9.944 3.826 1.00 0.40 C ATOM 304 O LEU A 8 4.590 -10.756 2.928 1.00 0.42 O ATOM 305 CB LEU A 8 4.913 -7.521 3.498 1.00 0.35 C ATOM 306 CG LEU A 8 4.104 -7.675 2.207 1.00 0.33 C ATOM 307 CD1 LEU A 8 2.613 -7.585 2.497 1.00 0.32 C ATOM 308 CD2 LEU A 8 4.511 -6.625 1.192 1.00 0.30 C ATOM 0 H LEU A 8 7.004 -8.725 2.850 1.00 0.41 H new ATOM 0 HA LEU A 8 5.392 -8.704 5.231 1.00 0.39 H new ATOM 0 HB2 LEU A 8 4.314 -6.963 4.218 1.00 0.35 H new ATOM 0 HB3 LEU A 8 5.797 -6.920 3.284 1.00 0.35 H new ATOM 0 HG LEU A 8 4.315 -8.658 1.787 1.00 0.33 H new ATOM 0 HD11 LEU A 8 2.054 -7.697 1.568 1.00 0.32 H new ATOM 0 HD12 LEU A 8 2.328 -8.378 3.189 1.00 0.32 H new ATOM 0 HD13 LEU A 8 2.387 -6.616 2.942 1.00 0.32 H new ATOM 0 HD21 LEU A 8 3.924 -6.752 0.282 1.00 0.30 H new ATOM 0 HD22 LEU A 8 4.331 -5.632 1.604 1.00 0.30 H new ATOM 0 HD23 LEU A 8 5.570 -6.735 0.959 1.00 0.30 H new ATOM 320 N LYS A 9 3.264 -9.965 4.565 1.00 0.40 N ATOM 321 CA LYS A 9 2.219 -10.956 4.359 1.00 0.42 C ATOM 322 C LYS A 9 0.842 -10.308 4.493 1.00 0.40 C ATOM 323 O LYS A 9 0.687 -9.316 5.205 1.00 0.39 O ATOM 324 CB LYS A 9 2.374 -12.110 5.345 1.00 0.46 C ATOM 325 CG LYS A 9 1.940 -11.775 6.763 1.00 0.47 C ATOM 326 CD LYS A 9 0.891 -12.751 7.268 1.00 0.50 C ATOM 327 CE LYS A 9 1.521 -13.873 8.077 1.00 0.54 C ATOM 328 NZ LYS A 9 1.214 -13.751 9.529 1.00 0.56 N ATOM 0 H LYS A 9 3.072 -9.303 5.317 1.00 0.40 H new ATOM 0 HA LYS A 9 2.313 -11.358 3.350 1.00 0.42 H new ATOM 0 HB2 LYS A 9 1.791 -12.959 4.989 1.00 0.46 H new ATOM 0 HB3 LYS A 9 3.418 -12.424 5.360 1.00 0.46 H new ATOM 0 HG2 LYS A 9 2.806 -11.795 7.424 1.00 0.47 H new ATOM 0 HG3 LYS A 9 1.540 -10.761 6.793 1.00 0.47 H new ATOM 0 HD2 LYS A 9 0.164 -12.220 7.883 1.00 0.50 H new ATOM 0 HD3 LYS A 9 0.346 -13.171 6.423 1.00 0.50 H new ATOM 0 HE2 LYS A 9 1.159 -14.833 7.709 1.00 0.54 H new ATOM 0 HE3 LYS A 9 2.601 -13.863 7.932 1.00 0.54 H new ATOM 0 HZ1 LYS A 9 1.662 -14.535 10.046 1.00 0.56 H new ATOM 0 HZ2 LYS A 9 1.581 -12.846 9.887 1.00 0.56 H new ATOM 0 HZ3 LYS A 9 0.184 -13.787 9.670 1.00 0.56 H new ATOM 342 N PRO A 10 -0.180 -10.854 3.809 1.00 0.40 N ATOM 343 CA PRO A 10 -1.535 -10.305 3.855 1.00 0.39 C ATOM 344 C PRO A 10 -2.282 -10.674 5.135 1.00 0.41 C ATOM 345 O PRO A 10 -1.844 -11.544 5.888 1.00 0.45 O ATOM 346 CB PRO A 10 -2.209 -10.948 2.646 1.00 0.38 C ATOM 347 CG PRO A 10 -1.516 -12.257 2.480 1.00 0.42 C ATOM 348 CD PRO A 10 -0.097 -12.050 2.944 1.00 0.42 C ATOM 0 HA PRO A 10 -1.530 -9.215 3.840 1.00 0.39 H new ATOM 0 HB2 PRO A 10 -3.277 -11.084 2.814 1.00 0.38 H new ATOM 0 HB3 PRO A 10 -2.102 -10.327 1.756 1.00 0.38 H new ATOM 0 HG2 PRO A 10 -2.007 -13.033 3.067 1.00 0.42 H new ATOM 0 HG3 PRO A 10 -1.541 -12.580 1.439 1.00 0.42 H new ATOM 0 HD2 PRO A 10 0.275 -12.915 3.493 1.00 0.42 H new ATOM 0 HD3 PRO A 10 0.579 -11.890 2.104 1.00 0.42 H new ATOM 356 N ASN A 11 -3.400 -9.984 5.374 1.00 0.41 N ATOM 357 CA ASN A 11 -4.242 -10.237 6.544 1.00 0.44 C ATOM 358 C ASN A 11 -3.587 -9.745 7.831 1.00 0.45 C ATOM 359 O ASN A 11 -3.834 -10.285 8.909 1.00 0.49 O ATOM 360 CB ASN A 11 -4.581 -11.728 6.660 1.00 0.47 C ATOM 361 CG ASN A 11 -5.955 -12.055 6.108 1.00 0.47 C ATOM 362 OD1 ASN A 11 -6.927 -12.160 6.854 1.00 0.50 O ATOM 363 ND2 ASN A 11 -6.043 -12.218 4.791 1.00 0.45 N ATOM 0 H ASN A 11 -3.744 -9.240 4.767 1.00 0.41 H new ATOM 0 HA ASN A 11 -5.165 -9.675 6.403 1.00 0.44 H new ATOM 0 HB2 ASN A 11 -3.830 -12.311 6.126 1.00 0.47 H new ATOM 0 HB3 ASN A 11 -4.532 -12.028 7.707 1.00 0.47 H new ATOM 0 HD21 ASN A 11 -6.942 -12.439 4.363 1.00 0.45 H new ATOM 0 HD22 ASN A 11 -5.211 -12.122 4.209 1.00 0.45 H new ATOM 370 N MET A 12 -2.753 -8.716 7.712 1.00 0.43 N ATOM 371 CA MET A 12 -2.079 -8.145 8.873 1.00 0.44 C ATOM 372 C MET A 12 -2.648 -6.769 9.196 1.00 0.43 C ATOM 373 O MET A 12 -2.676 -5.885 8.339 1.00 0.40 O ATOM 374 CB MET A 12 -0.575 -8.041 8.626 1.00 0.43 C ATOM 375 CG MET A 12 0.108 -9.389 8.472 1.00 0.45 C ATOM 376 SD MET A 12 1.714 -9.449 9.288 1.00 0.47 S ATOM 377 CE MET A 12 2.692 -8.432 8.186 1.00 0.43 C ATOM 0 H MET A 12 -2.528 -8.262 6.827 1.00 0.43 H new ATOM 0 HA MET A 12 -2.249 -8.806 9.723 1.00 0.44 H new ATOM 0 HB2 MET A 12 -0.403 -7.450 7.726 1.00 0.43 H new ATOM 0 HB3 MET A 12 -0.115 -7.502 9.454 1.00 0.43 H new ATOM 0 HG2 MET A 12 -0.534 -10.167 8.885 1.00 0.45 H new ATOM 0 HG3 MET A 12 0.235 -9.609 7.412 1.00 0.45 H new ATOM 0 HE1 MET A 12 3.538 -9.010 7.812 1.00 0.43 H new ATOM 0 HE2 MET A 12 2.076 -8.107 7.348 1.00 0.43 H new ATOM 0 HE3 MET A 12 3.059 -7.559 8.726 1.00 0.43 H new ATOM 387 N GLU A 13 -3.101 -6.594 10.432 1.00 0.47 N ATOM 388 CA GLU A 13 -3.673 -5.322 10.859 1.00 0.47 C ATOM 389 C GLU A 13 -2.577 -4.349 11.280 1.00 0.46 C ATOM 390 O GLU A 13 -2.847 -3.332 11.921 1.00 0.48 O ATOM 391 CB GLU A 13 -4.655 -5.536 12.013 1.00 0.51 C ATOM 392 CG GLU A 13 -5.259 -6.931 12.054 1.00 0.53 C ATOM 393 CD GLU A 13 -6.656 -6.944 12.644 1.00 0.56 C ATOM 394 OE1 GLU A 13 -7.433 -6.011 12.352 1.00 0.55 O ATOM 395 OE2 GLU A 13 -6.971 -7.886 13.401 1.00 0.59 O ATOM 0 H GLU A 13 -3.084 -7.314 11.154 1.00 0.47 H new ATOM 0 HA GLU A 13 -4.211 -4.893 10.013 1.00 0.47 H new ATOM 0 HB2 GLU A 13 -4.141 -5.345 12.955 1.00 0.51 H new ATOM 0 HB3 GLU A 13 -5.459 -4.804 11.934 1.00 0.51 H new ATOM 0 HG2 GLU A 13 -5.291 -7.339 11.044 1.00 0.53 H new ATOM 0 HG3 GLU A 13 -4.614 -7.585 12.641 1.00 0.53 H new ATOM 402 N SER A 14 -1.340 -4.665 10.912 1.00 0.45 N ATOM 403 CA SER A 14 -0.202 -3.820 11.245 1.00 0.44 C ATOM 404 C SER A 14 0.962 -4.095 10.301 1.00 0.41 C ATOM 405 O SER A 14 1.513 -5.196 10.284 1.00 0.42 O ATOM 406 CB SER A 14 0.233 -4.062 12.691 1.00 0.48 C ATOM 407 OG SER A 14 0.149 -5.437 13.026 1.00 0.50 O ATOM 0 H SER A 14 -1.101 -5.503 10.382 1.00 0.45 H new ATOM 0 HA SER A 14 -0.504 -2.779 11.135 1.00 0.44 H new ATOM 0 HB2 SER A 14 1.256 -3.713 12.830 1.00 0.48 H new ATOM 0 HB3 SER A 14 -0.396 -3.481 13.365 1.00 0.48 H new ATOM 0 HG SER A 14 0.542 -5.974 12.306 1.00 0.50 H new ATOM 413 N VAL A 15 1.335 -3.088 9.515 1.00 0.38 N ATOM 414 CA VAL A 15 2.434 -3.229 8.566 1.00 0.35 C ATOM 415 C VAL A 15 3.290 -1.968 8.505 1.00 0.34 C ATOM 416 O VAL A 15 2.849 -0.925 8.026 1.00 0.32 O ATOM 417 CB VAL A 15 1.928 -3.544 7.142 1.00 0.32 C ATOM 418 CG1 VAL A 15 2.878 -4.499 6.435 1.00 0.32 C ATOM 419 CG2 VAL A 15 0.517 -4.118 7.172 1.00 0.34 C ATOM 0 H VAL A 15 0.893 -2.169 9.517 1.00 0.38 H new ATOM 0 HA VAL A 15 3.036 -4.062 8.927 1.00 0.35 H new ATOM 0 HB VAL A 15 1.897 -2.608 6.584 1.00 0.32 H new ATOM 0 HG11 VAL A 15 2.504 -4.709 5.433 1.00 0.32 H new ATOM 0 HG12 VAL A 15 3.866 -4.044 6.366 1.00 0.32 H new ATOM 0 HG13 VAL A 15 2.945 -5.429 6.999 1.00 0.32 H new ATOM 0 HG21 VAL A 15 0.189 -4.330 6.154 1.00 0.34 H new ATOM 0 HG22 VAL A 15 0.511 -5.040 7.754 1.00 0.34 H new ATOM 0 HG23 VAL A 15 -0.160 -3.396 7.629 1.00 0.34 H new ATOM 429 N ASN A 16 4.519 -2.081 8.993 1.00 0.35 N ATOM 430 CA ASN A 16 5.461 -0.967 8.984 1.00 0.34 C ATOM 431 C ASN A 16 6.543 -1.222 7.941 1.00 0.33 C ATOM 432 O ASN A 16 7.166 -2.284 7.941 1.00 0.34 O ATOM 433 CB ASN A 16 6.088 -0.798 10.364 1.00 0.38 C ATOM 434 CG ASN A 16 5.867 0.591 10.935 1.00 0.39 C ATOM 435 OD1 ASN A 16 5.293 0.746 12.012 1.00 0.41 O ATOM 436 ND2 ASN A 16 6.327 1.606 10.215 1.00 0.37 N ATOM 0 H ASN A 16 4.889 -2.939 9.403 1.00 0.35 H new ATOM 0 HA ASN A 16 4.929 -0.050 8.730 1.00 0.34 H new ATOM 0 HB2 ASN A 16 5.667 -1.538 11.044 1.00 0.38 H new ATOM 0 HB3 ASN A 16 7.158 -0.995 10.300 1.00 0.38 H new ATOM 0 HD21 ASN A 16 6.211 2.563 10.549 1.00 0.37 H new ATOM 0 HD22 ASN A 16 6.797 1.430 9.327 1.00 0.37 H new ATOM 443 N VAL A 17 6.765 -0.260 7.052 1.00 0.30 N ATOM 444 CA VAL A 17 7.755 -0.440 5.997 1.00 0.29 C ATOM 445 C VAL A 17 8.209 0.889 5.387 1.00 0.27 C ATOM 446 O VAL A 17 7.469 1.869 5.385 1.00 0.26 O ATOM 447 CB VAL A 17 7.172 -1.344 4.889 1.00 0.27 C ATOM 448 CG1 VAL A 17 5.736 -0.941 4.588 1.00 0.25 C ATOM 449 CG2 VAL A 17 8.023 -1.306 3.627 1.00 0.27 C ATOM 0 H VAL A 17 6.282 0.638 7.040 1.00 0.30 H new ATOM 0 HA VAL A 17 8.630 -0.907 6.449 1.00 0.29 H new ATOM 0 HB VAL A 17 7.181 -2.372 5.252 1.00 0.27 H new ATOM 0 HG11 VAL A 17 5.334 -1.584 3.805 1.00 0.25 H new ATOM 0 HG12 VAL A 17 5.132 -1.045 5.489 1.00 0.25 H new ATOM 0 HG13 VAL A 17 5.712 0.096 4.253 1.00 0.25 H new ATOM 0 HG21 VAL A 17 7.581 -1.954 2.870 1.00 0.27 H new ATOM 0 HG22 VAL A 17 8.067 -0.285 3.249 1.00 0.27 H new ATOM 0 HG23 VAL A 17 9.031 -1.652 3.857 1.00 0.27 H new ATOM 459 N THR A 18 9.439 0.901 4.875 1.00 0.28 N ATOM 460 CA THR A 18 10.006 2.081 4.228 1.00 0.27 C ATOM 461 C THR A 18 10.259 1.781 2.756 1.00 0.26 C ATOM 462 O THR A 18 10.925 0.799 2.428 1.00 0.28 O ATOM 463 CB THR A 18 11.327 2.519 4.888 1.00 0.30 C ATOM 464 OG1 THR A 18 11.437 1.947 6.197 1.00 0.32 O ATOM 465 CG2 THR A 18 11.409 4.037 4.984 1.00 0.30 C ATOM 0 H THR A 18 10.067 0.097 4.897 1.00 0.28 H new ATOM 0 HA THR A 18 9.289 2.895 4.335 1.00 0.27 H new ATOM 0 HB THR A 18 12.150 2.165 4.267 1.00 0.30 H new ATOM 0 HG1 THR A 18 12.281 2.230 6.608 1.00 0.32 H new ATOM 0 HG21 THR A 18 12.351 4.322 5.453 1.00 0.30 H new ATOM 0 HG22 THR A 18 11.357 4.468 3.984 1.00 0.30 H new ATOM 0 HG23 THR A 18 10.578 4.409 5.583 1.00 0.30 H new ATOM 473 N VAL A 19 9.732 2.623 1.870 1.00 0.25 N ATOM 474 CA VAL A 19 9.894 2.408 0.436 1.00 0.25 C ATOM 475 C VAL A 19 9.947 3.726 -0.326 1.00 0.25 C ATOM 476 O VAL A 19 9.914 4.805 0.266 1.00 0.25 O ATOM 477 CB VAL A 19 8.737 1.559 -0.137 1.00 0.23 C ATOM 478 CG1 VAL A 19 8.731 0.165 0.470 1.00 0.24 C ATOM 479 CG2 VAL A 19 7.402 2.252 0.094 1.00 0.20 C ATOM 0 H VAL A 19 9.194 3.453 2.118 1.00 0.25 H new ATOM 0 HA VAL A 19 10.838 1.878 0.308 1.00 0.25 H new ATOM 0 HB VAL A 19 8.891 1.456 -1.211 1.00 0.23 H new ATOM 0 HG11 VAL A 19 7.907 -0.411 0.050 1.00 0.24 H new ATOM 0 HG12 VAL A 19 9.674 -0.334 0.246 1.00 0.24 H new ATOM 0 HG13 VAL A 19 8.608 0.239 1.550 1.00 0.24 H new ATOM 0 HG21 VAL A 19 6.599 1.640 -0.316 1.00 0.20 H new ATOM 0 HG22 VAL A 19 7.244 2.390 1.164 1.00 0.20 H new ATOM 0 HG23 VAL A 19 7.406 3.224 -0.400 1.00 0.20 H new ATOM 489 N ARG A 20 10.033 3.623 -1.647 1.00 0.26 N ATOM 490 CA ARG A 20 10.078 4.791 -2.517 1.00 0.27 C ATOM 491 C ARG A 20 8.891 4.782 -3.468 1.00 0.26 C ATOM 492 O ARG A 20 8.382 3.719 -3.828 1.00 0.25 O ATOM 493 CB ARG A 20 11.385 4.810 -3.312 1.00 0.30 C ATOM 494 CG ARG A 20 11.754 6.184 -3.844 1.00 0.32 C ATOM 495 CD ARG A 20 12.857 6.820 -3.018 1.00 0.34 C ATOM 496 NE ARG A 20 13.297 8.096 -3.578 1.00 0.36 N ATOM 497 CZ ARG A 20 14.504 8.301 -4.098 1.00 0.39 C ATOM 498 NH1 ARG A 20 15.395 7.317 -4.127 1.00 0.40 N ATOM 499 NH2 ARG A 20 14.821 9.491 -4.590 1.00 0.42 N ATOM 0 H ARG A 20 10.073 2.732 -2.143 1.00 0.26 H new ATOM 0 HA ARG A 20 10.029 5.688 -1.899 1.00 0.27 H new ATOM 0 HB2 ARG A 20 12.192 4.447 -2.676 1.00 0.30 H new ATOM 0 HB3 ARG A 20 11.302 4.116 -4.149 1.00 0.30 H new ATOM 0 HG2 ARG A 20 12.077 6.099 -4.882 1.00 0.32 H new ATOM 0 HG3 ARG A 20 10.874 6.827 -3.836 1.00 0.32 H new ATOM 0 HD2 ARG A 20 12.503 6.975 -1.999 1.00 0.34 H new ATOM 0 HD3 ARG A 20 13.705 6.138 -2.960 1.00 0.34 H new ATOM 0 HE ARG A 20 12.640 8.876 -3.570 1.00 0.36 H new ATOM 0 HH11 ARG A 20 15.155 6.400 -3.750 1.00 0.40 H new ATOM 0 HH12 ARG A 20 16.320 7.478 -4.527 1.00 0.40 H new ATOM 0 HH21 ARG A 20 14.139 10.249 -4.570 1.00 0.42 H new ATOM 0 HH22 ARG A 20 15.747 9.648 -4.989 1.00 0.42 H new ATOM 513 N VAL A 21 8.449 5.965 -3.876 1.00 0.26 N ATOM 514 CA VAL A 21 7.314 6.077 -4.783 1.00 0.26 C ATOM 515 C VAL A 21 7.690 5.647 -6.197 1.00 0.28 C ATOM 516 O VAL A 21 8.661 6.135 -6.773 1.00 0.31 O ATOM 517 CB VAL A 21 6.758 7.512 -4.821 1.00 0.27 C ATOM 518 CG1 VAL A 21 5.463 7.562 -5.620 1.00 0.27 C ATOM 519 CG2 VAL A 21 6.543 8.039 -3.410 1.00 0.27 C ATOM 0 H VAL A 21 8.857 6.857 -3.595 1.00 0.26 H new ATOM 0 HA VAL A 21 6.542 5.410 -4.400 1.00 0.26 H new ATOM 0 HB VAL A 21 7.488 8.152 -5.316 1.00 0.27 H new ATOM 0 HG11 VAL A 21 5.085 8.584 -5.636 1.00 0.27 H new ATOM 0 HG12 VAL A 21 5.652 7.229 -6.641 1.00 0.27 H new ATOM 0 HG13 VAL A 21 4.724 6.909 -5.156 1.00 0.27 H new ATOM 0 HG21 VAL A 21 6.150 9.054 -3.457 1.00 0.27 H new ATOM 0 HG22 VAL A 21 5.833 7.399 -2.887 1.00 0.27 H new ATOM 0 HG23 VAL A 21 7.492 8.042 -2.874 1.00 0.27 H new ATOM 529 N LEU A 22 6.917 4.720 -6.746 1.00 0.27 N ATOM 530 CA LEU A 22 7.150 4.227 -8.094 1.00 0.30 C ATOM 531 C LEU A 22 6.112 4.802 -9.051 1.00 0.31 C ATOM 532 O LEU A 22 6.335 4.875 -10.259 1.00 0.34 O ATOM 533 CB LEU A 22 7.100 2.699 -8.110 1.00 0.30 C ATOM 534 CG LEU A 22 7.927 2.007 -7.021 1.00 0.29 C ATOM 535 CD1 LEU A 22 7.919 0.499 -7.222 1.00 0.30 C ATOM 536 CD2 LEU A 22 9.355 2.534 -7.010 1.00 0.32 C ATOM 0 H LEU A 22 6.119 4.293 -6.275 1.00 0.27 H new ATOM 0 HA LEU A 22 8.139 4.548 -8.421 1.00 0.30 H new ATOM 0 HB2 LEU A 22 6.061 2.384 -8.010 1.00 0.30 H new ATOM 0 HB3 LEU A 22 7.446 2.350 -9.083 1.00 0.30 H new ATOM 0 HG LEU A 22 7.473 2.231 -6.056 1.00 0.29 H new ATOM 0 HD11 LEU A 22 8.511 0.025 -6.440 1.00 0.30 H new ATOM 0 HD12 LEU A 22 6.894 0.131 -7.175 1.00 0.30 H new ATOM 0 HD13 LEU A 22 8.346 0.259 -8.196 1.00 0.30 H new ATOM 0 HD21 LEU A 22 9.923 2.029 -6.229 1.00 0.32 H new ATOM 0 HD22 LEU A 22 9.820 2.345 -7.977 1.00 0.32 H new ATOM 0 HD23 LEU A 22 9.346 3.606 -6.815 1.00 0.32 H new ATOM 548 N GLU A 23 4.977 5.208 -8.491 1.00 0.29 N ATOM 549 CA GLU A 23 3.887 5.780 -9.272 1.00 0.30 C ATOM 550 C GLU A 23 2.908 6.511 -8.361 1.00 0.28 C ATOM 551 O GLU A 23 2.960 6.364 -7.139 1.00 0.25 O ATOM 552 CB GLU A 23 3.158 4.687 -10.057 1.00 0.29 C ATOM 553 CG GLU A 23 2.484 5.195 -11.323 1.00 0.32 C ATOM 554 CD GLU A 23 3.220 4.777 -12.580 1.00 0.36 C ATOM 555 OE1 GLU A 23 4.330 5.297 -12.820 1.00 0.38 O ATOM 556 OE2 GLU A 23 2.685 3.931 -13.328 1.00 0.36 O ATOM 0 H GLU A 23 4.788 5.150 -7.490 1.00 0.29 H new ATOM 0 HA GLU A 23 4.310 6.494 -9.979 1.00 0.30 H new ATOM 0 HB2 GLU A 23 3.870 3.905 -10.323 1.00 0.29 H new ATOM 0 HB3 GLU A 23 2.407 4.229 -9.414 1.00 0.29 H new ATOM 0 HG2 GLU A 23 1.462 4.819 -11.362 1.00 0.32 H new ATOM 0 HG3 GLU A 23 2.422 6.283 -11.287 1.00 0.32 H new ATOM 563 N ALA A 24 2.018 7.296 -8.956 1.00 0.30 N ATOM 564 CA ALA A 24 1.034 8.047 -8.186 1.00 0.29 C ATOM 565 C ALA A 24 -0.110 8.530 -9.068 1.00 0.32 C ATOM 566 O ALA A 24 0.113 9.170 -10.095 1.00 0.35 O ATOM 567 CB ALA A 24 1.703 9.225 -7.495 1.00 0.31 C ATOM 0 H ALA A 24 1.957 7.429 -9.965 1.00 0.30 H new ATOM 0 HA ALA A 24 0.614 7.381 -7.432 1.00 0.29 H new ATOM 0 HB1 ALA A 24 0.960 9.780 -6.922 1.00 0.31 H new ATOM 0 HB2 ALA A 24 2.480 8.860 -6.824 1.00 0.31 H new ATOM 0 HB3 ALA A 24 2.149 9.881 -8.243 1.00 0.31 H new ATOM 573 N SER A 25 -1.337 8.221 -8.658 1.00 0.30 N ATOM 574 CA SER A 25 -2.520 8.631 -9.407 1.00 0.33 C ATOM 575 C SER A 25 -3.334 9.645 -8.610 1.00 0.35 C ATOM 576 O SER A 25 -3.294 9.656 -7.381 1.00 0.33 O ATOM 577 CB SER A 25 -3.384 7.414 -9.749 1.00 0.31 C ATOM 578 OG SER A 25 -3.898 7.510 -11.065 1.00 0.33 O ATOM 0 H SER A 25 -1.538 7.688 -7.812 1.00 0.30 H new ATOM 0 HA SER A 25 -2.192 9.100 -10.335 1.00 0.33 H new ATOM 0 HB2 SER A 25 -2.792 6.504 -9.652 1.00 0.31 H new ATOM 0 HB3 SER A 25 -4.207 7.336 -9.038 1.00 0.31 H new ATOM 0 HG SER A 25 -4.445 6.721 -11.261 1.00 0.33 H new ATOM 584 N GLU A 26 -4.070 10.496 -9.320 1.00 0.38 N ATOM 585 CA GLU A 26 -4.890 11.516 -8.678 1.00 0.41 C ATOM 586 C GLU A 26 -6.020 10.881 -7.873 1.00 0.39 C ATOM 587 O GLU A 26 -6.390 9.729 -8.105 1.00 0.37 O ATOM 588 CB GLU A 26 -5.467 12.470 -9.724 1.00 0.44 C ATOM 589 CG GLU A 26 -4.439 12.976 -10.723 1.00 0.46 C ATOM 590 CD GLU A 26 -3.459 13.955 -10.106 1.00 0.47 C ATOM 591 OE1 GLU A 26 -3.913 14.982 -9.558 1.00 0.50 O ATOM 592 OE2 GLU A 26 -2.239 13.696 -10.169 1.00 0.46 O ATOM 0 H GLU A 26 -4.115 10.499 -10.339 1.00 0.38 H new ATOM 0 HA GLU A 26 -4.254 12.079 -7.995 1.00 0.41 H new ATOM 0 HB2 GLU A 26 -6.266 11.962 -10.264 1.00 0.44 H new ATOM 0 HB3 GLU A 26 -5.917 13.323 -9.216 1.00 0.44 H new ATOM 0 HG2 GLU A 26 -3.890 12.129 -11.135 1.00 0.46 H new ATOM 0 HG3 GLU A 26 -4.953 13.458 -11.555 1.00 0.46 H new ATOM 599 N ALA A 27 -6.456 11.601 -6.865 1.00 0.41 N ATOM 600 CA ALA A 27 -7.457 11.109 -5.949 1.00 0.41 C ATOM 601 C ALA A 27 -8.870 11.167 -6.534 1.00 0.44 C ATOM 602 O ALA A 27 -9.337 12.212 -6.986 1.00 0.48 O ATOM 603 CB ALA A 27 -7.292 11.865 -4.645 1.00 0.43 C ATOM 0 H ALA A 27 -6.126 12.544 -6.658 1.00 0.41 H new ATOM 0 HA ALA A 27 -7.310 10.046 -5.759 1.00 0.41 H new ATOM 0 HB1 ALA A 27 -8.035 11.518 -3.927 1.00 0.43 H new ATOM 0 HB2 ALA A 27 -6.293 11.690 -4.247 1.00 0.43 H new ATOM 0 HB3 ALA A 27 -7.430 12.932 -4.823 1.00 0.43 H new ATOM 609 N ARG A 28 -9.537 10.006 -6.503 1.00 0.41 N ATOM 610 CA ARG A 28 -10.880 9.837 -7.061 1.00 0.43 C ATOM 611 C ARG A 28 -11.827 9.174 -6.047 1.00 0.43 C ATOM 612 O ARG A 28 -11.389 8.567 -5.074 1.00 0.44 O ATOM 613 CB ARG A 28 -10.774 8.990 -8.351 1.00 0.42 C ATOM 614 CG ARG A 28 -12.090 8.403 -8.851 1.00 0.56 C ATOM 615 CD ARG A 28 -11.895 7.030 -9.482 1.00 0.65 C ATOM 616 NE ARG A 28 -13.154 6.286 -9.575 1.00 0.86 N ATOM 617 CZ ARG A 28 -13.299 5.013 -9.204 1.00 1.02 C ATOM 618 NH1 ARG A 28 -12.267 4.330 -8.725 1.00 1.03 N ATOM 619 NH2 ARG A 28 -14.482 4.421 -9.309 1.00 1.24 N ATOM 0 H ARG A 28 -9.156 9.156 -6.088 1.00 0.41 H new ATOM 0 HA ARG A 28 -11.299 10.815 -7.295 1.00 0.43 H new ATOM 0 HB2 ARG A 28 -10.348 9.610 -9.140 1.00 0.42 H new ATOM 0 HB3 ARG A 28 -10.074 8.173 -8.174 1.00 0.42 H new ATOM 0 HG2 ARG A 28 -12.792 8.325 -8.021 1.00 0.56 H new ATOM 0 HG3 ARG A 28 -12.535 9.079 -9.582 1.00 0.56 H new ATOM 0 HD2 ARG A 28 -11.468 7.146 -10.478 1.00 0.65 H new ATOM 0 HD3 ARG A 28 -11.178 6.458 -8.892 1.00 0.65 H new ATOM 0 HE ARG A 28 -13.970 6.772 -9.947 1.00 0.86 H new ATOM 0 HH11 ARG A 28 -11.355 4.778 -8.638 1.00 1.03 H new ATOM 0 HH12 ARG A 28 -12.386 3.357 -8.443 1.00 1.03 H new ATOM 0 HH21 ARG A 28 -15.281 4.939 -9.674 1.00 1.24 H new ATOM 0 HH22 ARG A 28 -14.592 3.448 -9.025 1.00 1.24 H new ATOM 633 N GLN A 29 -13.130 9.301 -6.287 1.00 0.45 N ATOM 634 CA GLN A 29 -14.150 8.726 -5.418 1.00 0.46 C ATOM 635 C GLN A 29 -14.539 7.319 -5.862 1.00 0.44 C ATOM 636 O GLN A 29 -14.619 7.036 -7.056 1.00 0.43 O ATOM 637 CB GLN A 29 -15.404 9.598 -5.430 1.00 0.51 C ATOM 638 CG GLN A 29 -15.265 10.882 -4.643 1.00 0.54 C ATOM 639 CD GLN A 29 -16.584 11.608 -4.464 1.00 0.61 C ATOM 640 OE1 GLN A 29 -17.472 11.532 -5.313 1.00 0.74 O ATOM 641 NE2 GLN A 29 -16.719 12.319 -3.351 1.00 0.84 N ATOM 0 H GLN A 29 -13.507 9.805 -7.089 1.00 0.45 H new ATOM 0 HA GLN A 29 -13.728 8.678 -4.414 1.00 0.46 H new ATOM 0 HB2 GLN A 29 -15.655 9.841 -6.462 1.00 0.51 H new ATOM 0 HB3 GLN A 29 -16.238 9.024 -5.026 1.00 0.51 H new ATOM 0 HG2 GLN A 29 -14.843 10.658 -3.663 1.00 0.54 H new ATOM 0 HG3 GLN A 29 -14.560 11.540 -5.151 1.00 0.54 H new ATOM 0 HE21 GLN A 29 -15.958 12.355 -2.673 1.00 0.84 H new ATOM 0 HE22 GLN A 29 -17.584 12.829 -3.174 1.00 0.84 H new ATOM 650 N ILE A 30 -14.787 6.445 -4.892 1.00 0.43 N ATOM 651 CA ILE A 30 -15.208 5.082 -5.178 1.00 0.40 C ATOM 652 C ILE A 30 -16.575 4.835 -4.530 1.00 0.42 C ATOM 653 O ILE A 30 -16.993 5.581 -3.647 1.00 0.45 O ATOM 654 CB ILE A 30 -14.196 4.030 -4.657 1.00 0.38 C ATOM 655 CG1 ILE A 30 -14.232 3.986 -3.136 1.00 0.39 C ATOM 656 CG2 ILE A 30 -12.782 4.328 -5.149 1.00 0.35 C ATOM 657 CD1 ILE A 30 -13.557 2.768 -2.544 1.00 0.39 C ATOM 0 H ILE A 30 -14.703 6.659 -3.898 1.00 0.43 H new ATOM 0 HA ILE A 30 -15.265 4.972 -6.261 1.00 0.40 H new ATOM 0 HB ILE A 30 -14.484 3.055 -5.050 1.00 0.38 H new ATOM 0 HG12 ILE A 30 -13.751 4.882 -2.744 1.00 0.39 H new ATOM 0 HG13 ILE A 30 -15.270 4.011 -2.806 1.00 0.39 H new ATOM 0 HG21 ILE A 30 -12.097 3.572 -4.766 1.00 0.35 H new ATOM 0 HG22 ILE A 30 -12.765 4.314 -6.239 1.00 0.35 H new ATOM 0 HG23 ILE A 30 -12.473 5.311 -4.794 1.00 0.35 H new ATOM 0 HD11 ILE A 30 -13.623 2.808 -1.457 1.00 0.39 H new ATOM 0 HD12 ILE A 30 -14.052 1.866 -2.905 1.00 0.39 H new ATOM 0 HD13 ILE A 30 -12.509 2.751 -2.843 1.00 0.39 H new ATOM 669 N GLN A 31 -17.259 3.788 -4.964 1.00 0.41 N ATOM 670 CA GLN A 31 -18.578 3.451 -4.433 1.00 0.44 C ATOM 671 C GLN A 31 -18.539 2.120 -3.693 1.00 0.43 C ATOM 672 O GLN A 31 -18.295 1.073 -4.292 1.00 0.42 O ATOM 673 CB GLN A 31 -19.612 3.381 -5.561 1.00 0.44 C ATOM 674 CG GLN A 31 -20.091 4.740 -6.046 1.00 0.47 C ATOM 675 CD GLN A 31 -21.100 4.628 -7.174 1.00 0.50 C ATOM 676 OE1 GLN A 31 -22.304 4.530 -6.938 1.00 0.53 O ATOM 677 NE2 GLN A 31 -20.613 4.644 -8.409 1.00 0.50 N ATOM 0 H GLN A 31 -16.923 3.151 -5.687 1.00 0.41 H new ATOM 0 HA GLN A 31 -18.866 4.236 -3.734 1.00 0.44 H new ATOM 0 HB2 GLN A 31 -19.181 2.838 -6.402 1.00 0.44 H new ATOM 0 HB3 GLN A 31 -20.472 2.806 -5.217 1.00 0.44 H new ATOM 0 HG2 GLN A 31 -20.539 5.283 -5.214 1.00 0.47 H new ATOM 0 HG3 GLN A 31 -19.235 5.325 -6.384 1.00 0.47 H new ATOM 0 HE21 GLN A 31 -19.608 4.727 -8.560 1.00 0.50 H new ATOM 0 HE22 GLN A 31 -21.244 4.574 -9.207 1.00 0.50 H new ATOM 686 N THR A 32 -18.775 2.170 -2.387 1.00 0.45 N ATOM 687 CA THR A 32 -18.768 0.964 -1.563 1.00 0.46 C ATOM 688 C THR A 32 -20.146 0.654 -1.005 1.00 0.50 C ATOM 689 O THR A 32 -21.133 1.309 -1.344 1.00 0.53 O ATOM 690 CB THR A 32 -17.781 1.084 -0.393 1.00 0.45 C ATOM 691 OG1 THR A 32 -18.217 2.103 0.509 1.00 0.48 O ATOM 692 CG2 THR A 32 -16.386 1.397 -0.907 1.00 0.42 C ATOM 0 H THR A 32 -18.973 3.030 -1.876 1.00 0.45 H new ATOM 0 HA THR A 32 -18.455 0.152 -2.219 1.00 0.46 H new ATOM 0 HB THR A 32 -17.747 0.133 0.138 1.00 0.45 H new ATOM 0 HG1 THR A 32 -18.372 1.712 1.394 1.00 0.48 H new ATOM 0 HG21 THR A 32 -15.698 1.479 -0.065 1.00 0.42 H new ATOM 0 HG22 THR A 32 -16.055 0.598 -1.570 1.00 0.42 H new ATOM 0 HG23 THR A 32 -16.403 2.339 -1.455 1.00 0.42 H new ATOM 743 N VAL A 36 -19.767 6.428 0.077 1.00 0.59 N ATOM 744 CA VAL A 36 -18.729 6.867 -0.845 1.00 0.56 C ATOM 745 C VAL A 36 -17.533 7.467 -0.102 1.00 0.55 C ATOM 746 O VAL A 36 -17.678 8.285 0.810 1.00 0.59 O ATOM 747 CB VAL A 36 -19.275 7.860 -1.900 1.00 0.57 C ATOM 748 CG1 VAL A 36 -19.990 9.030 -1.237 1.00 0.61 C ATOM 749 CG2 VAL A 36 -18.165 8.354 -2.815 1.00 0.56 C ATOM 0 HA VAL A 36 -18.384 5.979 -1.375 1.00 0.56 H new ATOM 0 HB VAL A 36 -20.002 7.324 -2.511 1.00 0.57 H new ATOM 0 HG11 VAL A 36 -20.362 9.710 -2.003 1.00 0.61 H new ATOM 0 HG12 VAL A 36 -20.826 8.657 -0.645 1.00 0.61 H new ATOM 0 HG13 VAL A 36 -19.294 9.561 -0.588 1.00 0.61 H new ATOM 0 HG21 VAL A 36 -18.578 9.050 -3.545 1.00 0.56 H new ATOM 0 HG22 VAL A 36 -17.403 8.860 -2.222 1.00 0.56 H new ATOM 0 HG23 VAL A 36 -17.717 7.507 -3.334 1.00 0.56 H new ATOM 759 N ARG A 37 -16.358 7.012 -0.504 1.00 0.52 N ATOM 760 CA ARG A 37 -15.089 7.436 0.064 1.00 0.51 C ATOM 761 C ARG A 37 -14.153 7.905 -1.035 1.00 0.49 C ATOM 762 O ARG A 37 -14.404 7.666 -2.214 1.00 0.47 O ATOM 763 CB ARG A 37 -14.497 6.353 0.910 1.00 0.49 C ATOM 764 CG ARG A 37 -14.681 4.929 0.385 1.00 0.47 C ATOM 765 CD ARG A 37 -16.034 4.366 0.809 1.00 0.52 C ATOM 766 NE ARG A 37 -15.924 3.257 1.765 1.00 0.49 N ATOM 767 CZ ARG A 37 -16.563 3.218 2.939 1.00 0.53 C ATOM 768 NH1 ARG A 37 -17.297 4.250 3.342 1.00 0.65 N ATOM 769 NH2 ARG A 37 -16.470 2.142 3.709 1.00 0.56 N ATOM 0 H ARG A 37 -16.258 6.323 -1.250 1.00 0.52 H new ATOM 0 HA ARG A 37 -15.257 8.286 0.725 1.00 0.51 H new ATOM 0 HB2 ARG A 37 -13.430 6.545 1.020 1.00 0.49 H new ATOM 0 HB3 ARG A 37 -14.936 6.413 1.906 1.00 0.49 H new ATOM 0 HG2 ARG A 37 -14.605 4.925 -0.702 1.00 0.47 H new ATOM 0 HG3 ARG A 37 -13.882 4.291 0.763 1.00 0.47 H new ATOM 0 HD2 ARG A 37 -16.629 5.163 1.254 1.00 0.52 H new ATOM 0 HD3 ARG A 37 -16.571 4.023 -0.075 1.00 0.52 H new ATOM 0 HE ARG A 37 -15.324 2.469 1.519 1.00 0.49 H new ATOM 0 HH11 ARG A 37 -17.376 5.080 2.754 1.00 0.65 H new ATOM 0 HH12 ARG A 37 -17.781 4.212 4.239 1.00 0.65 H new ATOM 0 HH21 ARG A 37 -15.911 1.345 3.406 1.00 0.56 H new ATOM 0 HH22 ARG A 37 -16.957 2.112 4.605 1.00 0.56 H new ATOM 783 N THR A 38 -13.071 8.576 -0.653 1.00 0.48 N ATOM 784 CA THR A 38 -12.151 9.130 -1.630 1.00 0.46 C ATOM 785 C THR A 38 -10.800 8.510 -1.489 1.00 0.42 C ATOM 786 O THR A 38 -10.099 8.741 -0.522 1.00 0.42 O ATOM 787 CB THR A 38 -12.006 10.651 -1.476 1.00 0.50 C ATOM 788 OG1 THR A 38 -12.049 11.018 -0.093 1.00 0.53 O ATOM 789 CG2 THR A 38 -13.088 11.396 -2.236 1.00 0.53 C ATOM 0 H THR A 38 -12.814 8.746 0.319 1.00 0.48 H new ATOM 0 HA THR A 38 -12.566 8.910 -2.614 1.00 0.46 H new ATOM 0 HB THR A 38 -11.040 10.931 -1.897 1.00 0.50 H new ATOM 0 HG1 THR A 38 -11.954 11.990 -0.009 1.00 0.53 H new ATOM 0 HG21 THR A 38 -12.953 12.469 -2.103 1.00 0.53 H new ATOM 0 HG22 THR A 38 -13.023 11.150 -3.296 1.00 0.53 H new ATOM 0 HG23 THR A 38 -14.067 11.104 -1.855 1.00 0.53 H new ATOM 797 N ILE A 39 -10.423 7.739 -2.471 1.00 0.39 N ATOM 798 CA ILE A 39 -9.158 7.060 -2.420 1.00 0.35 C ATOM 799 C ILE A 39 -8.393 7.187 -3.714 1.00 0.33 C ATOM 800 O ILE A 39 -8.856 7.785 -4.681 1.00 0.36 O ATOM 801 CB ILE A 39 -9.373 5.583 -2.132 1.00 0.33 C ATOM 802 CG1 ILE A 39 -10.318 4.995 -3.151 1.00 0.33 C ATOM 803 CG2 ILE A 39 -9.942 5.406 -0.752 1.00 0.35 C ATOM 804 CD1 ILE A 39 -9.966 3.581 -3.513 1.00 0.29 C ATOM 0 H ILE A 39 -10.971 7.565 -3.313 1.00 0.39 H new ATOM 0 HA ILE A 39 -8.577 7.528 -1.626 1.00 0.35 H new ATOM 0 HB ILE A 39 -8.414 5.068 -2.191 1.00 0.33 H new ATOM 0 HG12 ILE A 39 -11.334 5.024 -2.758 1.00 0.33 H new ATOM 0 HG13 ILE A 39 -10.306 5.611 -4.050 1.00 0.33 H new ATOM 0 HG21 ILE A 39 -10.093 4.345 -0.554 1.00 0.35 H new ATOM 0 HG22 ILE A 39 -9.250 5.817 -0.017 1.00 0.35 H new ATOM 0 HG23 ILE A 39 -10.897 5.927 -0.682 1.00 0.35 H new ATOM 0 HD11 ILE A 39 -10.677 3.206 -4.249 1.00 0.29 H new ATOM 0 HD12 ILE A 39 -8.960 3.552 -3.933 1.00 0.29 H new ATOM 0 HD13 ILE A 39 -10.005 2.957 -2.620 1.00 0.29 H new ATOM 816 N SER A 40 -7.214 6.617 -3.711 1.00 0.29 N ATOM 817 CA SER A 40 -6.365 6.633 -4.876 1.00 0.28 C ATOM 818 C SER A 40 -5.399 5.476 -4.828 1.00 0.24 C ATOM 819 O SER A 40 -5.253 4.816 -3.797 1.00 0.22 O ATOM 820 CB SER A 40 -5.593 7.938 -4.961 1.00 0.30 C ATOM 821 OG SER A 40 -4.982 8.069 -6.224 1.00 0.30 O ATOM 0 H SER A 40 -6.817 6.132 -2.906 1.00 0.29 H new ATOM 0 HA SER A 40 -6.996 6.542 -5.760 1.00 0.28 H new ATOM 0 HB2 SER A 40 -6.266 8.777 -4.787 1.00 0.30 H new ATOM 0 HB3 SER A 40 -4.835 7.970 -4.179 1.00 0.30 H new ATOM 0 HG SER A 40 -4.424 8.874 -6.235 1.00 0.30 H new ATOM 827 N GLU A 41 -4.734 5.236 -5.939 1.00 0.23 N ATOM 828 CA GLU A 41 -3.785 4.162 -6.016 1.00 0.20 C ATOM 829 C GLU A 41 -2.414 4.695 -6.419 1.00 0.20 C ATOM 830 O GLU A 41 -2.300 5.565 -7.284 1.00 0.24 O ATOM 831 CB GLU A 41 -4.297 3.115 -7.003 1.00 0.21 C ATOM 832 CG GLU A 41 -3.792 1.703 -6.739 1.00 0.21 C ATOM 833 CD GLU A 41 -3.128 1.075 -7.949 1.00 0.35 C ATOM 834 OE1 GLU A 41 -3.687 1.181 -9.060 1.00 0.48 O ATOM 835 OE2 GLU A 41 -2.050 0.471 -7.782 1.00 0.53 O ATOM 0 H GLU A 41 -4.838 5.775 -6.799 1.00 0.23 H new ATOM 0 HA GLU A 41 -3.674 3.692 -5.039 1.00 0.20 H new ATOM 0 HB2 GLU A 41 -5.387 3.109 -6.975 1.00 0.21 H new ATOM 0 HB3 GLU A 41 -4.005 3.410 -8.011 1.00 0.21 H new ATOM 0 HG2 GLU A 41 -3.082 1.726 -5.913 1.00 0.21 H new ATOM 0 HG3 GLU A 41 -4.627 1.077 -6.424 1.00 0.21 H new ATOM 842 N ALA A 42 -1.381 4.171 -5.770 1.00 0.17 N ATOM 843 CA ALA A 42 -0.005 4.590 -6.020 1.00 0.18 C ATOM 844 C ALA A 42 0.948 3.417 -5.837 1.00 0.17 C ATOM 845 O ALA A 42 0.869 2.697 -4.851 1.00 0.15 O ATOM 846 CB ALA A 42 0.361 5.717 -5.072 1.00 0.20 C ATOM 0 H ALA A 42 -1.472 3.446 -5.058 1.00 0.17 H new ATOM 0 HA ALA A 42 0.079 4.943 -7.048 1.00 0.18 H new ATOM 0 HB1 ALA A 42 1.388 6.030 -5.258 1.00 0.20 H new ATOM 0 HB2 ALA A 42 -0.310 6.560 -5.233 1.00 0.20 H new ATOM 0 HB3 ALA A 42 0.268 5.371 -4.043 1.00 0.20 H new ATOM 852 N ILE A 43 1.842 3.224 -6.795 1.00 0.19 N ATOM 853 CA ILE A 43 2.802 2.126 -6.740 1.00 0.20 C ATOM 854 C ILE A 43 4.078 2.511 -5.971 1.00 0.21 C ATOM 855 O ILE A 43 4.630 3.580 -6.164 1.00 0.23 O ATOM 856 CB ILE A 43 3.175 1.664 -8.173 1.00 0.23 C ATOM 857 CG1 ILE A 43 1.910 1.394 -8.999 1.00 0.24 C ATOM 858 CG2 ILE A 43 4.054 0.421 -8.146 1.00 0.25 C ATOM 859 CD1 ILE A 43 0.930 0.456 -8.327 1.00 0.21 C ATOM 0 H ILE A 43 1.925 3.814 -7.623 1.00 0.19 H new ATOM 0 HA ILE A 43 2.323 1.307 -6.203 1.00 0.20 H new ATOM 0 HB ILE A 43 3.741 2.470 -8.641 1.00 0.23 H new ATOM 0 HG12 ILE A 43 1.411 2.341 -9.202 1.00 0.24 H new ATOM 0 HG13 ILE A 43 2.199 0.973 -9.962 1.00 0.24 H new ATOM 0 HG21 ILE A 43 4.296 0.125 -9.167 1.00 0.25 H new ATOM 0 HG22 ILE A 43 4.974 0.638 -7.603 1.00 0.25 H new ATOM 0 HG23 ILE A 43 3.522 -0.390 -7.649 1.00 0.25 H new ATOM 0 HD11 ILE A 43 0.062 0.314 -8.971 1.00 0.21 H new ATOM 0 HD12 ILE A 43 1.411 -0.506 -8.149 1.00 0.21 H new ATOM 0 HD13 ILE A 43 0.610 0.884 -7.377 1.00 0.21 H new ATOM 871 N VAL A 44 4.464 1.649 -5.038 1.00 0.19 N ATOM 872 CA VAL A 44 5.675 1.783 -4.232 1.00 0.20 C ATOM 873 C VAL A 44 6.414 0.493 -4.189 1.00 0.22 C ATOM 874 O VAL A 44 5.889 -0.578 -4.496 1.00 0.23 O ATOM 875 CB VAL A 44 5.343 2.028 -2.732 1.00 0.21 C ATOM 876 CG1 VAL A 44 5.064 3.472 -2.455 1.00 0.27 C ATOM 877 CG2 VAL A 44 4.046 1.416 -2.495 1.00 0.16 C ATOM 0 H VAL A 44 3.927 0.811 -4.813 1.00 0.19 H new ATOM 0 HA VAL A 44 6.233 2.603 -4.684 1.00 0.20 H new ATOM 0 HB VAL A 44 6.177 1.655 -2.138 1.00 0.21 H new ATOM 0 HG11 VAL A 44 4.836 3.602 -1.397 1.00 0.27 H new ATOM 0 HG12 VAL A 44 5.939 4.068 -2.714 1.00 0.27 H new ATOM 0 HG13 VAL A 44 4.213 3.799 -3.052 1.00 0.27 H new ATOM 0 HG21 VAL A 44 3.762 1.558 -1.452 1.00 0.16 H new ATOM 0 HG22 VAL A 44 3.301 1.881 -3.141 1.00 0.16 H new ATOM 0 HG23 VAL A 44 4.101 0.350 -2.714 1.00 0.16 H new ATOM 887 N GLY A 45 7.622 0.614 -3.751 1.00 0.24 N ATOM 888 CA GLY A 45 8.405 -0.579 -3.478 1.00 0.26 C ATOM 889 C GLY A 45 9.833 -0.270 -3.074 1.00 0.29 C ATOM 890 O GLY A 45 10.281 0.873 -3.167 1.00 0.29 O ATOM 0 H GLY A 45 8.095 1.500 -3.572 1.00 0.24 H new ATOM 0 HA2 GLY A 45 7.924 -1.149 -2.683 1.00 0.26 H new ATOM 0 HA3 GLY A 45 8.413 -1.213 -4.365 1.00 0.26 H new ATOM 894 N ASP A 46 10.549 -1.298 -2.628 1.00 0.31 N ATOM 895 CA ASP A 46 11.937 -1.144 -2.206 1.00 0.34 C ATOM 896 C ASP A 46 12.830 -2.151 -2.919 1.00 0.38 C ATOM 897 O ASP A 46 12.435 -2.747 -3.919 1.00 0.39 O ATOM 898 CB ASP A 46 12.056 -1.319 -0.690 1.00 0.33 C ATOM 899 CG ASP A 46 11.507 -2.649 -0.211 1.00 0.34 C ATOM 900 OD1 ASP A 46 11.079 -3.460 -1.059 1.00 0.34 O ATOM 901 OD2 ASP A 46 11.503 -2.880 1.017 1.00 0.34 O ATOM 0 H ASP A 46 10.189 -2.249 -2.549 1.00 0.31 H new ATOM 0 HA ASP A 46 12.265 -0.139 -2.472 1.00 0.34 H new ATOM 0 HB2 ASP A 46 13.103 -1.237 -0.400 1.00 0.33 H new ATOM 0 HB3 ASP A 46 11.523 -0.509 -0.192 1.00 0.33 H new ATOM 906 N GLU A 47 14.038 -2.340 -2.396 1.00 0.40 N ATOM 907 CA GLU A 47 14.990 -3.273 -2.987 1.00 0.44 C ATOM 908 C GLU A 47 14.628 -4.720 -2.660 1.00 0.45 C ATOM 909 O GLU A 47 15.338 -5.647 -3.049 1.00 0.49 O ATOM 910 CB GLU A 47 16.407 -2.969 -2.496 1.00 0.46 C ATOM 911 CG GLU A 47 16.503 -2.775 -0.990 1.00 0.45 C ATOM 912 CD GLU A 47 17.647 -3.557 -0.373 1.00 0.48 C ATOM 913 OE1 GLU A 47 17.736 -4.776 -0.627 1.00 0.51 O ATOM 914 OE2 GLU A 47 18.451 -2.949 0.364 1.00 0.49 O ATOM 0 H GLU A 47 14.380 -1.859 -1.564 1.00 0.40 H new ATOM 0 HA GLU A 47 14.948 -3.148 -4.069 1.00 0.44 H new ATOM 0 HB2 GLU A 47 17.067 -3.784 -2.791 1.00 0.46 H new ATOM 0 HB3 GLU A 47 16.769 -2.069 -2.993 1.00 0.46 H new ATOM 0 HG2 GLU A 47 16.633 -1.715 -0.771 1.00 0.45 H new ATOM 0 HG3 GLU A 47 15.566 -3.083 -0.527 1.00 0.45 H new ATOM 921 N THR A 48 13.525 -4.909 -1.941 1.00 0.43 N ATOM 922 CA THR A 48 13.084 -6.249 -1.562 1.00 0.44 C ATOM 923 C THR A 48 11.870 -6.695 -2.371 1.00 0.43 C ATOM 924 O THR A 48 11.343 -7.788 -2.156 1.00 0.44 O ATOM 925 CB THR A 48 12.741 -6.313 -0.066 1.00 0.43 C ATOM 926 OG1 THR A 48 11.414 -5.825 0.157 1.00 0.39 O ATOM 927 CG2 THR A 48 13.730 -5.490 0.744 1.00 0.43 C ATOM 0 H THR A 48 12.922 -4.156 -1.610 1.00 0.43 H new ATOM 0 HA THR A 48 13.913 -6.924 -1.775 1.00 0.44 H new ATOM 0 HB THR A 48 12.801 -7.353 0.255 1.00 0.43 H new ATOM 0 HG1 THR A 48 11.211 -5.120 -0.492 1.00 0.39 H new ATOM 0 HG21 THR A 48 13.471 -5.547 1.801 1.00 0.43 H new ATOM 0 HG22 THR A 48 14.737 -5.881 0.595 1.00 0.43 H new ATOM 0 HG23 THR A 48 13.692 -4.451 0.417 1.00 0.43 H new ATOM 935 N GLY A 49 11.430 -5.852 -3.300 1.00 0.41 N ATOM 936 CA GLY A 49 10.282 -6.196 -4.122 1.00 0.41 C ATOM 937 C GLY A 49 9.422 -4.996 -4.465 1.00 0.37 C ATOM 938 O GLY A 49 9.929 -3.886 -4.631 1.00 0.36 O ATOM 0 H GLY A 49 11.845 -4.941 -3.498 1.00 0.41 H new ATOM 0 HA2 GLY A 49 10.628 -6.664 -5.044 1.00 0.41 H new ATOM 0 HA3 GLY A 49 9.675 -6.934 -3.598 1.00 0.41 H new ATOM 942 N ARG A 50 8.129 -5.242 -4.615 1.00 0.35 N ATOM 943 CA ARG A 50 7.190 -4.215 -4.967 1.00 0.31 C ATOM 944 C ARG A 50 5.794 -4.605 -4.513 1.00 0.29 C ATOM 945 O ARG A 50 5.408 -5.770 -4.563 1.00 0.31 O ATOM 946 CB ARG A 50 7.195 -3.995 -6.473 1.00 0.33 C ATOM 947 CG ARG A 50 6.171 -2.980 -6.920 1.00 0.30 C ATOM 948 CD ARG A 50 5.662 -3.281 -8.315 1.00 0.32 C ATOM 949 NE ARG A 50 6.568 -2.795 -9.351 1.00 0.36 N ATOM 950 CZ ARG A 50 6.174 -2.408 -10.562 1.00 0.38 C ATOM 951 NH1 ARG A 50 4.887 -2.427 -10.884 1.00 0.38 N ATOM 952 NH2 ARG A 50 7.069 -1.997 -11.450 1.00 0.42 N ATOM 0 H ARG A 50 7.712 -6.165 -4.493 1.00 0.35 H new ATOM 0 HA ARG A 50 7.482 -3.290 -4.469 1.00 0.31 H new ATOM 0 HB2 ARG A 50 8.186 -3.665 -6.784 1.00 0.33 H new ATOM 0 HB3 ARG A 50 7.003 -4.943 -6.975 1.00 0.33 H new ATOM 0 HG2 ARG A 50 5.335 -2.973 -6.220 1.00 0.30 H new ATOM 0 HG3 ARG A 50 6.612 -1.983 -6.900 1.00 0.30 H new ATOM 0 HD2 ARG A 50 5.529 -4.357 -8.427 1.00 0.32 H new ATOM 0 HD3 ARG A 50 4.682 -2.823 -8.449 1.00 0.32 H new ATOM 0 HE ARG A 50 7.564 -2.749 -9.134 1.00 0.36 H new ATOM 0 HH11 ARG A 50 4.195 -2.739 -10.202 1.00 0.38 H new ATOM 0 HH12 ARG A 50 4.589 -2.130 -11.813 1.00 0.38 H new ATOM 0 HH21 ARG A 50 8.059 -1.978 -11.205 1.00 0.42 H new ATOM 0 HH22 ARG A 50 6.767 -1.700 -12.378 1.00 0.42 H new ATOM 966 N VAL A 51 5.052 -3.611 -4.083 1.00 0.25 N ATOM 967 CA VAL A 51 3.697 -3.801 -3.608 1.00 0.23 C ATOM 968 C VAL A 51 2.830 -2.567 -3.891 1.00 0.19 C ATOM 969 O VAL A 51 3.236 -1.436 -3.627 1.00 0.18 O ATOM 970 CB VAL A 51 3.691 -4.110 -2.096 1.00 0.23 C ATOM 971 CG1 VAL A 51 4.455 -3.051 -1.311 1.00 0.22 C ATOM 972 CG2 VAL A 51 2.270 -4.217 -1.603 1.00 0.21 C ATOM 0 H VAL A 51 5.371 -2.643 -4.052 1.00 0.25 H new ATOM 0 HA VAL A 51 3.274 -4.649 -4.147 1.00 0.23 H new ATOM 0 HB VAL A 51 4.196 -5.063 -1.937 1.00 0.23 H new ATOM 0 HG11 VAL A 51 4.432 -3.298 -0.250 1.00 0.22 H new ATOM 0 HG12 VAL A 51 5.489 -3.019 -1.654 1.00 0.22 H new ATOM 0 HG13 VAL A 51 3.991 -2.077 -1.467 1.00 0.22 H new ATOM 0 HG21 VAL A 51 2.271 -4.435 -0.535 1.00 0.21 H new ATOM 0 HG22 VAL A 51 1.751 -3.275 -1.780 1.00 0.21 H new ATOM 0 HG23 VAL A 51 1.759 -5.018 -2.137 1.00 0.21 H new ATOM 982 N LYS A 52 1.640 -2.795 -4.452 1.00 0.18 N ATOM 983 CA LYS A 52 0.706 -1.711 -4.763 1.00 0.15 C ATOM 984 C LYS A 52 0.180 -1.042 -3.481 1.00 0.13 C ATOM 985 O LYS A 52 -0.286 -1.718 -2.566 1.00 0.14 O ATOM 986 CB LYS A 52 -0.470 -2.250 -5.591 1.00 0.16 C ATOM 987 CG LYS A 52 -0.059 -3.319 -6.604 1.00 0.21 C ATOM 988 CD LYS A 52 -0.448 -2.949 -8.029 1.00 0.23 C ATOM 989 CE LYS A 52 0.228 -3.858 -9.052 1.00 0.29 C ATOM 990 NZ LYS A 52 -0.223 -5.275 -8.930 1.00 0.28 N ATOM 0 H LYS A 52 1.300 -3.724 -4.701 1.00 0.18 H new ATOM 0 HA LYS A 52 1.243 -0.960 -5.342 1.00 0.15 H new ATOM 0 HB2 LYS A 52 -1.218 -2.667 -4.917 1.00 0.16 H new ATOM 0 HB3 LYS A 52 -0.943 -1.422 -6.119 1.00 0.16 H new ATOM 0 HG2 LYS A 52 1.019 -3.469 -6.552 1.00 0.21 H new ATOM 0 HG3 LYS A 52 -0.526 -4.267 -6.337 1.00 0.21 H new ATOM 0 HD2 LYS A 52 -1.530 -3.017 -8.140 1.00 0.23 H new ATOM 0 HD3 LYS A 52 -0.172 -1.913 -8.224 1.00 0.23 H new ATOM 0 HE2 LYS A 52 0.013 -3.495 -10.057 1.00 0.29 H new ATOM 0 HE3 LYS A 52 1.309 -3.810 -8.921 1.00 0.29 H new ATOM 0 HZ1 LYS A 52 0.249 -5.853 -9.655 1.00 0.28 H new ATOM 0 HZ2 LYS A 52 0.021 -5.637 -7.986 1.00 0.28 H new ATOM 0 HZ3 LYS A 52 -1.253 -5.324 -9.064 1.00 0.28 H new ATOM 1004 N LEU A 53 0.270 0.290 -3.428 1.00 0.12 N ATOM 1005 CA LEU A 53 -0.192 1.061 -2.269 1.00 0.12 C ATOM 1006 C LEU A 53 -1.555 1.699 -2.540 1.00 0.13 C ATOM 1007 O LEU A 53 -1.813 2.236 -3.614 1.00 0.13 O ATOM 1008 CB LEU A 53 0.836 2.148 -1.915 1.00 0.13 C ATOM 1009 CG LEU A 53 0.779 2.734 -0.491 1.00 0.15 C ATOM 1010 CD1 LEU A 53 -0.320 3.776 -0.360 1.00 0.19 C ATOM 1011 CD2 LEU A 53 0.592 1.639 0.545 1.00 0.17 C ATOM 0 H LEU A 53 0.661 0.860 -4.178 1.00 0.12 H new ATOM 0 HA LEU A 53 -0.297 0.377 -1.427 1.00 0.12 H new ATOM 0 HB2 LEU A 53 1.832 1.734 -2.070 1.00 0.13 H new ATOM 0 HB3 LEU A 53 0.718 2.968 -2.623 1.00 0.13 H new ATOM 0 HG LEU A 53 1.735 3.225 -0.307 1.00 0.15 H new ATOM 0 HD11 LEU A 53 -0.331 4.168 0.657 1.00 0.19 H new ATOM 0 HD12 LEU A 53 -0.135 4.590 -1.060 1.00 0.19 H new ATOM 0 HD13 LEU A 53 -1.284 3.318 -0.583 1.00 0.19 H new ATOM 0 HD21 LEU A 53 0.555 2.082 1.540 1.00 0.17 H new ATOM 0 HD22 LEU A 53 -0.340 1.108 0.350 1.00 0.17 H new ATOM 0 HD23 LEU A 53 1.426 0.940 0.490 1.00 0.17 H new ATOM 1023 N THR A 54 -2.410 1.631 -1.535 1.00 0.16 N ATOM 1024 CA THR A 54 -3.755 2.180 -1.605 1.00 0.18 C ATOM 1025 C THR A 54 -4.009 3.154 -0.475 1.00 0.22 C ATOM 1026 O THR A 54 -4.049 2.778 0.679 1.00 0.25 O ATOM 1027 CB THR A 54 -4.853 1.115 -1.550 1.00 0.21 C ATOM 1028 OG1 THR A 54 -4.440 -0.075 -2.234 1.00 0.22 O ATOM 1029 CG2 THR A 54 -6.097 1.681 -2.200 1.00 0.23 C ATOM 0 H THR A 54 -2.190 1.191 -0.641 1.00 0.16 H new ATOM 0 HA THR A 54 -3.801 2.680 -2.572 1.00 0.18 H new ATOM 0 HB THR A 54 -5.055 0.851 -0.512 1.00 0.21 H new ATOM 0 HG1 THR A 54 -3.748 -0.530 -1.710 1.00 0.22 H new ATOM 0 HG21 THR A 54 -6.893 0.937 -2.171 1.00 0.23 H new ATOM 0 HG22 THR A 54 -6.415 2.574 -1.661 1.00 0.23 H new ATOM 0 HG23 THR A 54 -5.880 1.941 -3.236 1.00 0.23 H new ATOM 1037 N LEU A 55 -4.220 4.387 -0.826 1.00 0.22 N ATOM 1038 CA LEU A 55 -4.481 5.438 0.136 1.00 0.26 C ATOM 1039 C LEU A 55 -5.975 5.544 0.407 1.00 0.28 C ATOM 1040 O LEU A 55 -6.783 5.242 -0.469 1.00 0.28 O ATOM 1041 CB LEU A 55 -3.953 6.725 -0.437 1.00 0.26 C ATOM 1042 CG LEU A 55 -2.667 6.561 -1.248 1.00 0.24 C ATOM 1043 CD1 LEU A 55 -2.872 7.061 -2.651 1.00 0.24 C ATOM 1044 CD2 LEU A 55 -1.514 7.289 -0.599 1.00 0.25 C ATOM 0 H LEU A 55 -4.218 4.704 -1.795 1.00 0.22 H new ATOM 0 HA LEU A 55 -3.989 5.220 1.084 1.00 0.26 H new ATOM 0 HB2 LEU A 55 -4.718 7.169 -1.074 1.00 0.26 H new ATOM 0 HB3 LEU A 55 -3.770 7.426 0.377 1.00 0.26 H new ATOM 0 HG LEU A 55 -2.421 5.500 -1.279 1.00 0.24 H new ATOM 0 HD11 LEU A 55 -1.950 6.939 -3.219 1.00 0.24 H new ATOM 0 HD12 LEU A 55 -3.670 6.491 -3.127 1.00 0.24 H new ATOM 0 HD13 LEU A 55 -3.145 8.116 -2.625 1.00 0.24 H new ATOM 0 HD21 LEU A 55 -0.614 7.154 -1.199 1.00 0.25 H new ATOM 0 HD22 LEU A 55 -1.747 8.351 -0.530 1.00 0.25 H new ATOM 0 HD23 LEU A 55 -1.347 6.888 0.401 1.00 0.25 H new ATOM 1056 N TRP A 56 -6.348 5.989 1.606 1.00 0.32 N ATOM 1057 CA TRP A 56 -7.763 6.073 1.965 1.00 0.36 C ATOM 1058 C TRP A 56 -8.170 7.432 2.545 1.00 0.40 C ATOM 1059 O TRP A 56 -7.622 7.903 3.544 1.00 0.42 O ATOM 1060 CB TRP A 56 -8.106 4.918 2.919 1.00 0.36 C ATOM 1061 CG TRP A 56 -8.251 3.611 2.183 1.00 0.33 C ATOM 1062 CD1 TRP A 56 -7.255 2.697 1.944 1.00 0.30 C ATOM 1063 CD2 TRP A 56 -9.447 3.073 1.564 1.00 0.34 C ATOM 1064 NE1 TRP A 56 -7.735 1.663 1.189 1.00 0.30 N ATOM 1065 CE2 TRP A 56 -9.083 1.860 0.953 1.00 0.31 C ATOM 1066 CE3 TRP A 56 -10.779 3.499 1.457 1.00 0.38 C ATOM 1067 CZ2 TRP A 56 -9.992 1.084 0.249 1.00 0.32 C ATOM 1068 CZ3 TRP A 56 -11.673 2.720 0.757 1.00 0.38 C ATOM 1069 CH2 TRP A 56 -11.276 1.530 0.161 1.00 0.34 C ATOM 0 H TRP A 56 -5.702 6.292 2.335 1.00 0.32 H new ATOM 0 HA TRP A 56 -8.345 5.978 1.048 1.00 0.36 H new ATOM 0 HB2 TRP A 56 -7.325 4.826 3.674 1.00 0.36 H new ATOM 0 HB3 TRP A 56 -9.033 5.144 3.445 1.00 0.36 H new ATOM 0 HD1 TRP A 56 -6.239 2.782 2.301 1.00 0.30 H new ATOM 0 HE1 TRP A 56 -7.186 0.872 0.853 1.00 0.30 H new ATOM 0 HE3 TRP A 56 -11.098 4.423 1.916 1.00 0.38 H new ATOM 0 HZ2 TRP A 56 -9.691 0.156 -0.214 1.00 0.32 H new ATOM 0 HZ3 TRP A 56 -12.701 3.040 0.670 1.00 0.38 H new ATOM 0 HH2 TRP A 56 -12.002 0.945 -0.385 1.00 0.34 H new ATOM 1080 N GLY A 57 -9.136 8.047 1.859 1.00 0.42 N ATOM 1081 CA GLY A 57 -9.703 9.337 2.240 1.00 0.47 C ATOM 1082 C GLY A 57 -8.791 10.531 1.966 1.00 0.47 C ATOM 1083 O GLY A 57 -8.745 11.020 0.838 1.00 0.46 O ATOM 0 H GLY A 57 -9.550 7.656 1.013 1.00 0.42 H new ATOM 0 HA2 GLY A 57 -10.641 9.481 1.704 1.00 0.47 H new ATOM 0 HA3 GLY A 57 -9.944 9.315 3.303 1.00 0.47 H new ATOM 1087 N LYS A 58 -8.068 11.008 2.983 1.00 0.49 N ATOM 1088 CA LYS A 58 -7.186 12.173 2.811 1.00 0.50 C ATOM 1089 C LYS A 58 -5.812 11.794 2.266 1.00 0.46 C ATOM 1090 O LYS A 58 -5.135 12.626 1.669 1.00 0.46 O ATOM 1091 CB LYS A 58 -7.046 12.963 4.122 1.00 0.54 C ATOM 1092 CG LYS A 58 -7.112 12.111 5.382 1.00 0.54 C ATOM 1093 CD LYS A 58 -5.841 11.303 5.572 1.00 0.51 C ATOM 1094 CE LYS A 58 -6.128 9.934 6.158 1.00 0.49 C ATOM 1095 NZ LYS A 58 -6.339 9.988 7.631 1.00 0.55 N ATOM 0 H LYS A 58 -8.073 10.614 3.924 1.00 0.49 H new ATOM 0 HA LYS A 58 -7.662 12.812 2.067 1.00 0.50 H new ATOM 0 HB2 LYS A 58 -6.096 13.498 4.110 1.00 0.54 H new ATOM 0 HB3 LYS A 58 -7.835 13.714 4.165 1.00 0.54 H new ATOM 0 HG2 LYS A 58 -7.270 12.753 6.249 1.00 0.54 H new ATOM 0 HG3 LYS A 58 -7.967 11.438 5.323 1.00 0.54 H new ATOM 0 HD2 LYS A 58 -5.335 11.189 4.613 1.00 0.51 H new ATOM 0 HD3 LYS A 58 -5.160 11.845 6.229 1.00 0.51 H new ATOM 0 HE2 LYS A 58 -7.013 9.514 5.681 1.00 0.49 H new ATOM 0 HE3 LYS A 58 -5.298 9.264 5.936 1.00 0.49 H new ATOM 0 HZ1 LYS A 58 -6.532 9.031 7.989 1.00 0.55 H new ATOM 0 HZ2 LYS A 58 -5.485 10.364 8.090 1.00 0.55 H new ATOM 0 HZ3 LYS A 58 -7.147 10.607 7.843 1.00 0.55 H new ATOM 1109 N HIS A 59 -5.405 10.546 2.473 1.00 0.42 N ATOM 1110 CA HIS A 59 -4.135 10.044 1.963 1.00 0.39 C ATOM 1111 C HIS A 59 -4.189 9.914 0.446 1.00 0.36 C ATOM 1112 O HIS A 59 -3.158 9.911 -0.228 1.00 0.34 O ATOM 1113 CB HIS A 59 -3.814 8.683 2.583 1.00 0.36 C ATOM 1114 CG HIS A 59 -3.190 8.770 3.941 1.00 0.38 C ATOM 1115 ND1 HIS A 59 -2.048 9.497 4.202 1.00 0.38 N ATOM 1116 CD2 HIS A 59 -3.555 8.211 5.118 1.00 0.39 C ATOM 1117 CE1 HIS A 59 -1.737 9.379 5.481 1.00 0.40 C ATOM 1118 NE2 HIS A 59 -2.636 8.605 6.057 1.00 0.41 N ATOM 0 H HIS A 59 -5.944 9.857 2.997 1.00 0.42 H new ATOM 0 HA HIS A 59 -3.352 10.753 2.233 1.00 0.39 H new ATOM 0 HB2 HIS A 59 -4.732 8.100 2.652 1.00 0.36 H new ATOM 0 HB3 HIS A 59 -3.141 8.141 1.918 1.00 0.36 H new ATOM 0 HD2 HIS A 59 -4.410 7.574 5.287 1.00 0.39 H new ATOM 0 HE1 HIS A 59 -0.891 9.838 5.971 1.00 0.40 H new ATOM 0 HE2 HIS A 59 -2.646 8.342 7.042 1.00 0.41 H new ATOM 1126 N ALA A 60 -5.404 9.812 -0.080 1.00 0.37 N ATOM 1127 CA ALA A 60 -5.619 9.675 -1.514 1.00 0.36 C ATOM 1128 C ALA A 60 -4.998 10.829 -2.292 1.00 0.37 C ATOM 1129 O ALA A 60 -5.318 11.994 -2.056 1.00 0.41 O ATOM 1130 CB ALA A 60 -7.107 9.581 -1.810 1.00 0.38 C ATOM 0 H ALA A 60 -6.262 9.822 0.472 1.00 0.37 H new ATOM 0 HA ALA A 60 -5.127 8.758 -1.838 1.00 0.36 H new ATOM 0 HB1 ALA A 60 -7.258 9.479 -2.885 1.00 0.38 H new ATOM 0 HB2 ALA A 60 -7.525 8.713 -1.300 1.00 0.38 H new ATOM 0 HB3 ALA A 60 -7.606 10.484 -1.458 1.00 0.38 H new ATOM 1136 N GLY A 61 -4.110 10.492 -3.224 1.00 0.35 N ATOM 1137 CA GLY A 61 -3.455 11.506 -4.036 1.00 0.37 C ATOM 1138 C GLY A 61 -2.700 12.536 -3.214 1.00 0.39 C ATOM 1139 O GLY A 61 -2.219 13.534 -3.751 1.00 0.41 O ATOM 0 H GLY A 61 -3.831 9.533 -3.432 1.00 0.35 H new ATOM 0 HA2 GLY A 61 -2.762 11.020 -4.723 1.00 0.37 H new ATOM 0 HA3 GLY A 61 -4.203 12.014 -4.644 1.00 0.37 H new ATOM 1143 N SER A 62 -2.593 12.299 -1.910 1.00 0.39 N ATOM 1144 CA SER A 62 -1.894 13.220 -1.021 1.00 0.41 C ATOM 1145 C SER A 62 -0.393 12.954 -1.018 1.00 0.39 C ATOM 1146 O SER A 62 0.397 13.810 -0.617 1.00 0.41 O ATOM 1147 CB SER A 62 -2.446 13.108 0.401 1.00 0.42 C ATOM 1148 OG SER A 62 -1.591 13.749 1.331 1.00 0.44 O ATOM 0 H SER A 62 -2.981 11.478 -1.446 1.00 0.39 H new ATOM 0 HA SER A 62 -2.060 14.231 -1.392 1.00 0.41 H new ATOM 0 HB2 SER A 62 -3.439 13.556 0.446 1.00 0.42 H new ATOM 0 HB3 SER A 62 -2.558 12.058 0.669 1.00 0.42 H new ATOM 0 HG SER A 62 -1.966 13.665 2.232 1.00 0.44 H new ATOM 1154 N ILE A 63 0.000 11.766 -1.466 1.00 0.35 N ATOM 1155 CA ILE A 63 1.408 11.395 -1.505 1.00 0.33 C ATOM 1156 C ILE A 63 2.135 12.079 -2.656 1.00 0.35 C ATOM 1157 O ILE A 63 1.519 12.714 -3.511 1.00 0.37 O ATOM 1158 CB ILE A 63 1.594 9.871 -1.624 1.00 0.29 C ATOM 1159 CG1 ILE A 63 0.674 9.302 -2.701 1.00 0.28 C ATOM 1160 CG2 ILE A 63 1.332 9.200 -0.284 1.00 0.28 C ATOM 1161 CD1 ILE A 63 1.417 8.696 -3.870 1.00 0.26 C ATOM 0 H ILE A 63 -0.637 11.045 -1.806 1.00 0.35 H new ATOM 0 HA ILE A 63 1.840 11.730 -0.562 1.00 0.33 H new ATOM 0 HB ILE A 63 2.625 9.669 -1.915 1.00 0.29 H new ATOM 0 HG12 ILE A 63 0.032 8.542 -2.255 1.00 0.28 H new ATOM 0 HG13 ILE A 63 0.022 10.095 -3.067 1.00 0.28 H new ATOM 0 HG21 ILE A 63 1.467 8.123 -0.384 1.00 0.28 H new ATOM 0 HG22 ILE A 63 2.030 9.586 0.459 1.00 0.28 H new ATOM 0 HG23 ILE A 63 0.311 9.409 0.034 1.00 0.28 H new ATOM 0 HD11 ILE A 63 0.701 8.312 -4.596 1.00 0.26 H new ATOM 0 HD12 ILE A 63 2.038 9.458 -4.341 1.00 0.26 H new ATOM 0 HD13 ILE A 63 2.048 7.881 -3.517 1.00 0.26 H new ATOM 1173 N LYS A 64 3.453 11.936 -2.658 1.00 0.34 N ATOM 1174 CA LYS A 64 4.304 12.535 -3.676 1.00 0.36 C ATOM 1175 C LYS A 64 4.752 11.500 -4.704 1.00 0.34 C ATOM 1176 O LYS A 64 4.296 10.358 -4.699 1.00 0.31 O ATOM 1177 CB LYS A 64 5.524 13.190 -3.027 1.00 0.38 C ATOM 1178 CG LYS A 64 5.379 14.690 -2.831 1.00 0.41 C ATOM 1179 CD LYS A 64 6.697 15.329 -2.422 1.00 0.43 C ATOM 1180 CE LYS A 64 6.476 16.552 -1.547 1.00 0.46 C ATOM 1181 NZ LYS A 64 7.737 17.006 -0.897 1.00 0.47 N ATOM 0 H LYS A 64 3.962 11.402 -1.954 1.00 0.34 H new ATOM 0 HA LYS A 64 3.721 13.296 -4.194 1.00 0.36 H new ATOM 0 HB2 LYS A 64 5.705 12.722 -2.060 1.00 0.38 H new ATOM 0 HB3 LYS A 64 6.401 12.996 -3.644 1.00 0.38 H new ATOM 0 HG2 LYS A 64 5.024 15.146 -3.755 1.00 0.41 H new ATOM 0 HG3 LYS A 64 4.626 14.887 -2.068 1.00 0.41 H new ATOM 0 HD2 LYS A 64 7.304 14.601 -1.884 1.00 0.43 H new ATOM 0 HD3 LYS A 64 7.256 15.614 -3.313 1.00 0.43 H new ATOM 0 HE2 LYS A 64 6.067 17.362 -2.152 1.00 0.46 H new ATOM 0 HE3 LYS A 64 5.736 16.321 -0.781 1.00 0.46 H new ATOM 0 HZ1 LYS A 64 7.543 17.842 -0.309 1.00 0.47 H new ATOM 0 HZ2 LYS A 64 8.114 16.243 -0.300 1.00 0.47 H new ATOM 0 HZ3 LYS A 64 8.435 17.251 -1.628 1.00 0.47 H new ATOM 1195 N GLU A 65 5.649 11.927 -5.579 1.00 0.36 N ATOM 1196 CA GLU A 65 6.195 11.076 -6.629 1.00 0.36 C ATOM 1197 C GLU A 65 7.443 10.396 -6.098 1.00 0.35 C ATOM 1198 O GLU A 65 7.737 10.514 -4.913 1.00 0.34 O ATOM 1199 CB GLU A 65 6.521 11.894 -7.880 1.00 0.40 C ATOM 1200 CG GLU A 65 5.670 11.531 -9.085 1.00 0.40 C ATOM 1201 CD GLU A 65 5.642 12.627 -10.132 1.00 0.44 C ATOM 1202 OE1 GLU A 65 6.710 12.924 -10.708 1.00 0.47 O ATOM 1203 OE2 GLU A 65 4.554 13.189 -10.373 1.00 0.45 O ATOM 0 H GLU A 65 6.021 12.877 -5.582 1.00 0.36 H new ATOM 0 HA GLU A 65 5.456 10.326 -6.911 1.00 0.36 H new ATOM 0 HB2 GLU A 65 6.386 12.952 -7.657 1.00 0.40 H new ATOM 0 HB3 GLU A 65 7.572 11.753 -8.132 1.00 0.40 H new ATOM 0 HG2 GLU A 65 6.054 10.615 -9.534 1.00 0.40 H new ATOM 0 HG3 GLU A 65 4.652 11.322 -8.756 1.00 0.40 H new ATOM 1210 N GLY A 66 8.160 9.678 -6.958 1.00 0.36 N ATOM 1211 CA GLY A 66 9.338 8.939 -6.518 1.00 0.35 C ATOM 1212 C GLY A 66 10.198 9.690 -5.518 1.00 0.36 C ATOM 1213 O GLY A 66 11.177 10.347 -5.873 1.00 0.39 O ATOM 0 H GLY A 66 7.949 9.593 -7.952 1.00 0.36 H new ATOM 0 HA2 GLY A 66 9.018 7.997 -6.072 1.00 0.35 H new ATOM 0 HA3 GLY A 66 9.944 8.690 -7.389 1.00 0.35 H new ATOM 1217 N GLN A 67 9.800 9.572 -4.251 1.00 0.34 N ATOM 1218 CA GLN A 67 10.493 10.192 -3.129 1.00 0.35 C ATOM 1219 C GLN A 67 10.572 9.188 -1.980 1.00 0.32 C ATOM 1220 O GLN A 67 9.811 8.222 -1.949 1.00 0.30 O ATOM 1221 CB GLN A 67 9.754 11.460 -2.679 1.00 0.36 C ATOM 1222 CG GLN A 67 8.341 11.204 -2.179 1.00 0.34 C ATOM 1223 CD GLN A 67 8.229 11.285 -0.673 1.00 0.33 C ATOM 1224 OE1 GLN A 67 7.870 12.323 -0.118 1.00 0.35 O ATOM 1225 NE2 GLN A 67 8.536 10.185 -0.004 1.00 0.31 N ATOM 0 H GLN A 67 8.977 9.036 -3.975 1.00 0.34 H new ATOM 0 HA GLN A 67 11.500 10.477 -3.435 1.00 0.35 H new ATOM 0 HB2 GLN A 67 10.328 11.941 -1.887 1.00 0.36 H new ATOM 0 HB3 GLN A 67 9.713 12.160 -3.513 1.00 0.36 H new ATOM 0 HG2 GLN A 67 7.664 11.930 -2.629 1.00 0.34 H new ATOM 0 HG3 GLN A 67 8.016 10.218 -2.510 1.00 0.34 H new ATOM 0 HE21 GLN A 67 8.829 9.347 -0.507 1.00 0.31 H new ATOM 0 HE22 GLN A 67 8.480 10.175 1.014 1.00 0.31 H new ATOM 1234 N VAL A 68 11.482 9.410 -1.038 1.00 0.33 N ATOM 1235 CA VAL A 68 11.627 8.493 0.091 1.00 0.31 C ATOM 1236 C VAL A 68 10.545 8.721 1.140 1.00 0.30 C ATOM 1237 O VAL A 68 10.499 9.771 1.782 1.00 0.32 O ATOM 1238 CB VAL A 68 13.003 8.620 0.766 1.00 0.33 C ATOM 1239 CG1 VAL A 68 13.284 7.391 1.617 1.00 0.32 C ATOM 1240 CG2 VAL A 68 14.096 8.823 -0.274 1.00 0.36 C ATOM 0 H VAL A 68 12.122 10.204 -1.030 1.00 0.33 H new ATOM 0 HA VAL A 68 11.527 7.490 -0.323 1.00 0.31 H new ATOM 0 HB VAL A 68 12.994 9.495 1.416 1.00 0.33 H new ATOM 0 HG11 VAL A 68 14.261 7.492 2.090 1.00 0.32 H new ATOM 0 HG12 VAL A 68 12.517 7.297 2.385 1.00 0.32 H new ATOM 0 HG13 VAL A 68 13.276 6.502 0.986 1.00 0.32 H new ATOM 0 HG21 VAL A 68 15.061 8.910 0.225 1.00 0.36 H new ATOM 0 HG22 VAL A 68 14.115 7.971 -0.953 1.00 0.36 H new ATOM 0 HG23 VAL A 68 13.896 9.733 -0.839 1.00 0.36 H new ATOM 1250 N VAL A 69 9.681 7.726 1.313 1.00 0.28 N ATOM 1251 CA VAL A 69 8.601 7.803 2.291 1.00 0.27 C ATOM 1252 C VAL A 69 8.740 6.705 3.333 1.00 0.27 C ATOM 1253 O VAL A 69 9.646 5.877 3.258 1.00 0.27 O ATOM 1254 CB VAL A 69 7.202 7.677 1.642 1.00 0.26 C ATOM 1255 CG1 VAL A 69 6.423 8.976 1.781 1.00 0.28 C ATOM 1256 CG2 VAL A 69 7.305 7.260 0.179 1.00 0.24 C ATOM 0 H VAL A 69 9.708 6.853 0.786 1.00 0.28 H new ATOM 0 HA VAL A 69 8.684 8.786 2.755 1.00 0.27 H new ATOM 0 HB VAL A 69 6.659 6.895 2.172 1.00 0.26 H new ATOM 0 HG11 VAL A 69 5.443 8.864 1.318 1.00 0.28 H new ATOM 0 HG12 VAL A 69 6.300 9.215 2.837 1.00 0.28 H new ATOM 0 HG13 VAL A 69 6.967 9.781 1.288 1.00 0.28 H new ATOM 0 HG21 VAL A 69 6.305 7.180 -0.248 1.00 0.24 H new ATOM 0 HG22 VAL A 69 7.877 8.006 -0.373 1.00 0.24 H new ATOM 0 HG23 VAL A 69 7.807 6.295 0.110 1.00 0.24 H new ATOM 1266 N LYS A 70 7.839 6.708 4.303 1.00 0.27 N ATOM 1267 CA LYS A 70 7.854 5.707 5.357 1.00 0.28 C ATOM 1268 C LYS A 70 6.435 5.279 5.702 1.00 0.28 C ATOM 1269 O LYS A 70 5.679 6.034 6.314 1.00 0.30 O ATOM 1270 CB LYS A 70 8.553 6.258 6.601 1.00 0.31 C ATOM 1271 CG LYS A 70 8.926 5.187 7.613 1.00 0.32 C ATOM 1272 CD LYS A 70 8.480 5.566 9.015 1.00 0.35 C ATOM 1273 CE LYS A 70 9.081 4.637 10.058 1.00 0.37 C ATOM 1274 NZ LYS A 70 8.608 4.964 11.433 1.00 0.40 N ATOM 0 H LYS A 70 7.088 7.393 4.382 1.00 0.27 H new ATOM 0 HA LYS A 70 8.405 4.837 5.000 1.00 0.28 H new ATOM 0 HB2 LYS A 70 9.455 6.788 6.296 1.00 0.31 H new ATOM 0 HB3 LYS A 70 7.901 6.988 7.081 1.00 0.31 H new ATOM 0 HG2 LYS A 70 8.468 4.240 7.328 1.00 0.32 H new ATOM 0 HG3 LYS A 70 10.005 5.035 7.602 1.00 0.32 H new ATOM 0 HD2 LYS A 70 8.775 6.594 9.227 1.00 0.35 H new ATOM 0 HD3 LYS A 70 7.392 5.528 9.075 1.00 0.35 H new ATOM 0 HE2 LYS A 70 8.819 3.606 9.820 1.00 0.37 H new ATOM 0 HE3 LYS A 70 10.168 4.706 10.022 1.00 0.37 H new ATOM 0 HZ1 LYS A 70 9.041 4.308 12.114 1.00 0.40 H new ATOM 0 HZ2 LYS A 70 8.880 5.939 11.671 1.00 0.40 H new ATOM 0 HZ3 LYS A 70 7.573 4.873 11.475 1.00 0.40 H new ATOM 1288 N ILE A 71 6.080 4.062 5.306 1.00 0.26 N ATOM 1289 CA ILE A 71 4.755 3.532 5.581 1.00 0.26 C ATOM 1290 C ILE A 71 4.656 3.085 7.029 1.00 0.29 C ATOM 1291 O ILE A 71 5.610 2.549 7.592 1.00 0.30 O ATOM 1292 CB ILE A 71 4.410 2.350 4.659 1.00 0.23 C ATOM 1293 CG1 ILE A 71 4.551 2.773 3.191 1.00 0.21 C ATOM 1294 CG2 ILE A 71 3.004 1.840 4.951 1.00 0.24 C ATOM 1295 CD1 ILE A 71 3.393 3.600 2.672 1.00 0.20 C ATOM 0 H ILE A 71 6.692 3.427 4.794 1.00 0.26 H new ATOM 0 HA ILE A 71 4.041 4.333 5.392 1.00 0.26 H new ATOM 0 HB ILE A 71 5.107 1.534 4.850 1.00 0.23 H new ATOM 0 HG12 ILE A 71 5.472 3.344 3.076 1.00 0.21 H new ATOM 0 HG13 ILE A 71 4.651 1.880 2.575 1.00 0.21 H new ATOM 0 HG21 ILE A 71 2.776 1.004 4.290 1.00 0.24 H new ATOM 0 HG22 ILE A 71 2.945 1.510 5.988 1.00 0.24 H new ATOM 0 HG23 ILE A 71 2.284 2.641 4.784 1.00 0.24 H new ATOM 0 HD11 ILE A 71 3.569 3.858 1.628 1.00 0.20 H new ATOM 0 HD12 ILE A 71 2.470 3.025 2.753 1.00 0.20 H new ATOM 0 HD13 ILE A 71 3.305 4.513 3.261 1.00 0.20 H new ATOM 1307 N GLU A 72 3.496 3.308 7.626 1.00 0.31 N ATOM 1308 CA GLU A 72 3.268 2.945 9.001 1.00 0.34 C ATOM 1309 C GLU A 72 2.208 1.868 9.103 1.00 0.35 C ATOM 1310 O GLU A 72 1.691 1.376 8.102 1.00 0.33 O ATOM 1311 CB GLU A 72 2.852 4.170 9.814 1.00 0.38 C ATOM 1312 CG GLU A 72 3.495 4.236 11.190 1.00 0.41 C ATOM 1313 CD GLU A 72 2.497 4.020 12.310 1.00 0.44 C ATOM 1314 OE1 GLU A 72 1.549 4.826 12.425 1.00 0.46 O ATOM 1315 OE2 GLU A 72 2.664 3.045 13.075 1.00 0.46 O ATOM 0 H GLU A 72 2.695 3.743 7.168 1.00 0.31 H new ATOM 0 HA GLU A 72 4.200 2.553 9.408 1.00 0.34 H new ATOM 0 HB2 GLU A 72 3.112 5.070 9.257 1.00 0.38 H new ATOM 0 HB3 GLU A 72 1.768 4.168 9.929 1.00 0.38 H new ATOM 0 HG2 GLU A 72 4.280 3.482 11.257 1.00 0.41 H new ATOM 0 HG3 GLU A 72 3.974 5.207 11.317 1.00 0.41 H new ATOM 1322 N ASN A 73 1.905 1.520 10.332 1.00 0.39 N ATOM 1323 CA ASN A 73 0.915 0.508 10.649 1.00 0.40 C ATOM 1324 C ASN A 73 -0.401 0.742 9.917 1.00 0.39 C ATOM 1325 O ASN A 73 -1.180 1.620 10.292 1.00 0.41 O ATOM 1326 CB ASN A 73 0.660 0.572 12.143 1.00 0.45 C ATOM 1327 CG ASN A 73 0.509 -0.793 12.779 1.00 0.47 C ATOM 1328 OD1 ASN A 73 1.475 -1.549 12.897 1.00 0.46 O ATOM 1329 ND2 ASN A 73 -0.710 -1.117 13.199 1.00 0.49 N ATOM 0 H ASN A 73 2.344 1.936 11.154 1.00 0.39 H new ATOM 0 HA ASN A 73 1.295 -0.465 10.337 1.00 0.40 H new ATOM 0 HB2 ASN A 73 1.483 1.101 12.624 1.00 0.45 H new ATOM 0 HB3 ASN A 73 -0.243 1.154 12.327 1.00 0.45 H new ATOM 0 HD21 ASN A 73 -0.874 -2.022 13.639 1.00 0.49 H new ATOM 0 HD22 ASN A 73 -1.481 -0.460 13.081 1.00 0.49 H new ATOM 1336 N ALA A 74 -0.588 -0.049 8.854 1.00 0.36 N ATOM 1337 CA ALA A 74 -1.811 -0.017 8.090 1.00 0.35 C ATOM 1338 C ALA A 74 -2.414 -1.408 8.048 1.00 0.36 C ATOM 1339 O ALA A 74 -2.968 -1.866 9.051 1.00 0.40 O ATOM 1340 CB ALA A 74 -1.535 0.490 6.687 1.00 0.31 C ATOM 0 H ALA A 74 0.103 -0.717 8.513 1.00 0.36 H new ATOM 0 HA ALA A 74 -2.520 0.662 8.564 1.00 0.35 H new ATOM 0 HB1 ALA A 74 -2.465 0.510 6.118 1.00 0.31 H new ATOM 0 HB2 ALA A 74 -1.119 1.496 6.739 1.00 0.31 H new ATOM 0 HB3 ALA A 74 -0.823 -0.172 6.194 1.00 0.31 H new ATOM 1346 N TRP A 75 -2.247 -2.104 6.920 1.00 0.33 N ATOM 1347 CA TRP A 75 -2.765 -3.454 6.770 1.00 0.34 C ATOM 1348 C TRP A 75 -2.533 -3.961 5.373 1.00 0.31 C ATOM 1349 O TRP A 75 -2.116 -3.220 4.483 1.00 0.28 O ATOM 1350 CB TRP A 75 -4.256 -3.499 7.076 1.00 0.37 C ATOM 1351 CG TRP A 75 -5.049 -2.477 6.325 1.00 0.36 C ATOM 1352 CD1 TRP A 75 -5.484 -2.557 5.037 1.00 0.34 C ATOM 1353 CD2 TRP A 75 -5.495 -1.206 6.814 1.00 0.38 C ATOM 1354 NE1 TRP A 75 -6.189 -1.443 4.716 1.00 0.34 N ATOM 1355 CE2 TRP A 75 -6.204 -0.602 5.788 1.00 0.37 C ATOM 1356 CE3 TRP A 75 -5.366 -0.529 8.016 1.00 0.41 C ATOM 1357 CZ2 TRP A 75 -6.777 0.635 5.915 1.00 0.39 C ATOM 1358 CZ3 TRP A 75 -5.942 0.715 8.146 1.00 0.44 C ATOM 1359 CH2 TRP A 75 -6.644 1.287 7.084 1.00 0.42 C ATOM 0 H TRP A 75 -1.756 -1.749 6.100 1.00 0.33 H new ATOM 0 HA TRP A 75 -2.234 -4.091 7.478 1.00 0.34 H new ATOM 0 HB2 TRP A 75 -4.638 -4.491 6.837 1.00 0.37 H new ATOM 0 HB3 TRP A 75 -4.404 -3.349 8.145 1.00 0.37 H new ATOM 0 HD1 TRP A 75 -5.296 -3.385 4.370 1.00 0.34 H new ATOM 0 HE1 TRP A 75 -6.636 -1.264 3.817 1.00 0.34 H new ATOM 0 HE3 TRP A 75 -4.822 -0.970 8.838 1.00 0.41 H new ATOM 0 HZ2 TRP A 75 -7.323 1.077 5.095 1.00 0.39 H new ATOM 0 HZ3 TRP A 75 -5.850 1.253 9.078 1.00 0.44 H new ATOM 0 HH2 TRP A 75 -7.086 2.265 7.202 1.00 0.42 H new ATOM 1370 N THR A 76 -2.817 -5.230 5.188 1.00 0.32 N ATOM 1371 CA THR A 76 -2.653 -5.850 3.902 1.00 0.30 C ATOM 1372 C THR A 76 -3.911 -6.585 3.510 1.00 0.33 C ATOM 1373 O THR A 76 -4.476 -7.352 4.290 1.00 0.36 O ATOM 1374 CB THR A 76 -1.476 -6.828 3.892 1.00 0.31 C ATOM 1375 OG1 THR A 76 -1.452 -7.568 5.117 1.00 0.36 O ATOM 1376 CG2 THR A 76 -0.165 -6.091 3.717 1.00 0.29 C ATOM 0 H THR A 76 -3.164 -5.852 5.918 1.00 0.32 H new ATOM 0 HA THR A 76 -2.449 -5.056 3.184 1.00 0.30 H new ATOM 0 HB THR A 76 -1.604 -7.512 3.053 1.00 0.31 H new ATOM 0 HG1 THR A 76 -0.555 -7.523 5.509 1.00 0.36 H new ATOM 0 HG21 THR A 76 0.657 -6.807 3.713 1.00 0.29 H new ATOM 0 HG22 THR A 76 -0.177 -5.547 2.773 1.00 0.29 H new ATOM 0 HG23 THR A 76 -0.030 -5.388 4.539 1.00 0.29 H new ATOM 1384 N THR A 77 -4.339 -6.343 2.290 1.00 0.32 N ATOM 1385 CA THR A 77 -5.525 -6.970 1.758 1.00 0.36 C ATOM 1386 C THR A 77 -5.159 -7.693 0.467 1.00 0.32 C ATOM 1387 O THR A 77 -4.518 -7.120 -0.410 1.00 0.26 O ATOM 1388 CB THR A 77 -6.627 -5.917 1.517 1.00 0.38 C ATOM 1389 OG1 THR A 77 -6.235 -5.038 0.460 1.00 0.41 O ATOM 1390 CG2 THR A 77 -6.876 -5.097 2.787 1.00 0.37 C ATOM 0 H THR A 77 -3.874 -5.707 1.642 1.00 0.32 H new ATOM 0 HA THR A 77 -5.917 -7.694 2.473 1.00 0.36 H new ATOM 0 HB THR A 77 -7.545 -6.437 1.244 1.00 0.38 H new ATOM 0 HG1 THR A 77 -5.470 -5.422 -0.018 1.00 0.41 H new ATOM 0 HG21 THR A 77 -7.656 -4.360 2.597 1.00 0.37 H new ATOM 0 HG22 THR A 77 -7.192 -5.760 3.592 1.00 0.37 H new ATOM 0 HG23 THR A 77 -5.957 -4.587 3.076 1.00 0.37 H new ATOM 1398 N ALA A 78 -5.553 -8.953 0.354 1.00 0.38 N ATOM 1399 CA ALA A 78 -5.204 -9.752 -0.816 1.00 0.37 C ATOM 1400 C ALA A 78 -6.258 -9.695 -1.917 1.00 0.35 C ATOM 1401 O ALA A 78 -7.338 -10.270 -1.786 1.00 0.39 O ATOM 1402 CB ALA A 78 -4.952 -11.191 -0.393 1.00 0.43 C ATOM 0 H ALA A 78 -6.111 -9.444 1.053 1.00 0.38 H new ATOM 0 HA ALA A 78 -4.296 -9.323 -1.241 1.00 0.37 H new ATOM 0 HB1 ALA A 78 -4.691 -11.787 -1.268 1.00 0.43 H new ATOM 0 HB2 ALA A 78 -4.132 -11.221 0.324 1.00 0.43 H new ATOM 0 HB3 ALA A 78 -5.852 -11.598 0.068 1.00 0.43 H new ATOM 1408 N PHE A 79 -5.935 -8.988 -2.999 1.00 0.29 N ATOM 1409 CA PHE A 79 -6.815 -8.879 -4.135 1.00 0.26 C ATOM 1410 C PHE A 79 -6.393 -9.827 -5.250 1.00 0.27 C ATOM 1411 O PHE A 79 -5.251 -9.793 -5.701 1.00 0.27 O ATOM 1412 CB PHE A 79 -6.821 -7.455 -4.665 1.00 0.23 C ATOM 1413 CG PHE A 79 -8.137 -7.119 -5.258 1.00 0.22 C ATOM 1414 CD1 PHE A 79 -9.192 -6.814 -4.438 1.00 0.27 C ATOM 1415 CD2 PHE A 79 -8.333 -7.162 -6.615 1.00 0.25 C ATOM 1416 CE1 PHE A 79 -10.425 -6.551 -4.955 1.00 0.31 C ATOM 1417 CE2 PHE A 79 -9.568 -6.893 -7.145 1.00 0.29 C ATOM 1418 CZ PHE A 79 -10.621 -6.587 -6.312 1.00 0.31 C ATOM 0 H PHE A 79 -5.056 -8.480 -3.101 1.00 0.29 H new ATOM 0 HA PHE A 79 -7.817 -9.150 -3.803 1.00 0.26 H new ATOM 0 HB2 PHE A 79 -6.594 -6.760 -3.856 1.00 0.23 H new ATOM 0 HB3 PHE A 79 -6.039 -7.338 -5.415 1.00 0.23 H new ATOM 0 HD1 PHE A 79 -9.044 -6.782 -3.369 1.00 0.27 H new ATOM 0 HD2 PHE A 79 -7.510 -7.409 -7.269 1.00 0.25 H new ATOM 0 HE1 PHE A 79 -11.248 -6.314 -4.296 1.00 0.31 H new ATOM 0 HE2 PHE A 79 -9.715 -6.921 -8.215 1.00 0.29 H new ATOM 0 HZ PHE A 79 -11.596 -6.376 -6.725 1.00 0.31 H new ATOM 1428 N LYS A 80 -7.334 -10.666 -5.684 1.00 0.30 N ATOM 1429 CA LYS A 80 -7.104 -11.636 -6.760 1.00 0.32 C ATOM 1430 C LYS A 80 -5.970 -12.625 -6.437 1.00 0.34 C ATOM 1431 O LYS A 80 -5.435 -13.270 -7.339 1.00 0.36 O ATOM 1432 CB LYS A 80 -6.823 -10.915 -8.087 1.00 0.31 C ATOM 1433 CG LYS A 80 -7.917 -9.943 -8.494 1.00 0.30 C ATOM 1434 CD LYS A 80 -9.208 -10.648 -8.868 1.00 0.33 C ATOM 1435 CE LYS A 80 -10.307 -9.644 -9.171 1.00 0.33 C ATOM 1436 NZ LYS A 80 -11.630 -10.302 -9.342 1.00 0.43 N ATOM 0 H LYS A 80 -8.279 -10.694 -5.300 1.00 0.30 H new ATOM 0 HA LYS A 80 -8.019 -12.221 -6.855 1.00 0.32 H new ATOM 0 HB2 LYS A 80 -5.880 -10.374 -8.005 1.00 0.31 H new ATOM 0 HB3 LYS A 80 -6.697 -11.658 -8.875 1.00 0.31 H new ATOM 0 HG2 LYS A 80 -8.108 -9.251 -7.673 1.00 0.30 H new ATOM 0 HG3 LYS A 80 -7.574 -9.347 -9.340 1.00 0.30 H new ATOM 0 HD2 LYS A 80 -9.041 -11.284 -9.738 1.00 0.33 H new ATOM 0 HD3 LYS A 80 -9.520 -11.300 -8.052 1.00 0.33 H new ATOM 0 HE2 LYS A 80 -10.366 -8.916 -8.362 1.00 0.33 H new ATOM 0 HE3 LYS A 80 -10.056 -9.094 -10.078 1.00 0.33 H new ATOM 0 HZ1 LYS A 80 -12.352 -9.582 -9.547 1.00 0.43 H new ATOM 0 HZ2 LYS A 80 -11.582 -10.979 -10.130 1.00 0.43 H new ATOM 0 HZ3 LYS A 80 -11.883 -10.806 -8.468 1.00 0.43 H new ATOM 1450 N GLY A 81 -5.608 -12.750 -5.154 1.00 0.35 N ATOM 1451 CA GLY A 81 -4.565 -13.687 -4.769 1.00 0.38 C ATOM 1452 C GLY A 81 -3.223 -13.024 -4.523 1.00 0.37 C ATOM 1453 O GLY A 81 -2.293 -13.669 -4.035 1.00 0.39 O ATOM 0 H GLY A 81 -6.017 -12.222 -4.384 1.00 0.35 H new ATOM 0 HA2 GLY A 81 -4.874 -14.212 -3.865 1.00 0.38 H new ATOM 0 HA3 GLY A 81 -4.454 -14.437 -5.552 1.00 0.38 H new ATOM 1457 N GLN A 82 -3.115 -11.743 -4.857 1.00 0.34 N ATOM 1458 CA GLN A 82 -1.876 -11.004 -4.636 1.00 0.33 C ATOM 1459 C GLN A 82 -2.036 -10.103 -3.428 1.00 0.30 C ATOM 1460 O GLN A 82 -3.095 -9.514 -3.225 1.00 0.29 O ATOM 1461 CB GLN A 82 -1.482 -10.150 -5.847 1.00 0.32 C ATOM 1462 CG GLN A 82 -2.458 -10.196 -7.012 1.00 0.31 C ATOM 1463 CD GLN A 82 -2.814 -8.812 -7.524 1.00 0.27 C ATOM 1464 OE1 GLN A 82 -2.965 -8.604 -8.726 1.00 0.28 O ATOM 1465 NE2 GLN A 82 -2.969 -7.858 -6.607 1.00 0.24 N ATOM 0 H GLN A 82 -3.865 -11.196 -5.280 1.00 0.34 H new ATOM 0 HA GLN A 82 -1.085 -11.736 -4.473 1.00 0.33 H new ATOM 0 HB2 GLN A 82 -1.375 -9.115 -5.523 1.00 0.32 H new ATOM 0 HB3 GLN A 82 -0.504 -10.476 -6.199 1.00 0.32 H new ATOM 0 HG2 GLN A 82 -2.024 -10.780 -7.823 1.00 0.31 H new ATOM 0 HG3 GLN A 82 -3.367 -10.710 -6.701 1.00 0.31 H new ATOM 0 HE21 GLN A 82 -2.834 -8.073 -5.619 1.00 0.24 H new ATOM 0 HE22 GLN A 82 -3.223 -6.912 -6.893 1.00 0.24 H new ATOM 1474 N VAL A 83 -0.986 -9.983 -2.628 1.00 0.31 N ATOM 1475 CA VAL A 83 -1.047 -9.141 -1.445 1.00 0.30 C ATOM 1476 C VAL A 83 -0.984 -7.667 -1.837 1.00 0.26 C ATOM 1477 O VAL A 83 -0.371 -7.312 -2.844 1.00 0.25 O ATOM 1478 CB VAL A 83 0.097 -9.449 -0.455 1.00 0.33 C ATOM 1479 CG1 VAL A 83 -0.198 -8.845 0.906 1.00 0.32 C ATOM 1480 CG2 VAL A 83 0.333 -10.947 -0.346 1.00 0.38 C ATOM 0 H VAL A 83 -0.092 -10.452 -2.775 1.00 0.31 H new ATOM 0 HA VAL A 83 -1.995 -9.356 -0.951 1.00 0.30 H new ATOM 0 HB VAL A 83 1.011 -8.995 -0.838 1.00 0.33 H new ATOM 0 HG11 VAL A 83 0.620 -9.073 1.590 1.00 0.32 H new ATOM 0 HG12 VAL A 83 -0.300 -7.764 0.810 1.00 0.32 H new ATOM 0 HG13 VAL A 83 -1.125 -9.264 1.297 1.00 0.32 H new ATOM 0 HG21 VAL A 83 1.144 -11.137 0.357 1.00 0.38 H new ATOM 0 HG22 VAL A 83 -0.576 -11.434 0.008 1.00 0.38 H new ATOM 0 HG23 VAL A 83 0.601 -11.345 -1.325 1.00 0.38 H new ATOM 1490 N GLN A 84 -1.606 -6.812 -1.034 1.00 0.24 N ATOM 1491 CA GLN A 84 -1.625 -5.386 -1.319 1.00 0.21 C ATOM 1492 C GLN A 84 -1.537 -4.588 -0.028 1.00 0.21 C ATOM 1493 O GLN A 84 -1.845 -5.098 1.044 1.00 0.25 O ATOM 1494 CB GLN A 84 -2.891 -5.017 -2.092 1.00 0.20 C ATOM 1495 CG GLN A 84 -2.642 -4.050 -3.237 1.00 0.26 C ATOM 1496 CD GLN A 84 -3.857 -3.874 -4.126 1.00 0.30 C ATOM 1497 OE1 GLN A 84 -4.059 -4.630 -5.077 1.00 0.33 O ATOM 1498 NE2 GLN A 84 -4.672 -2.872 -3.822 1.00 0.37 N ATOM 0 H GLN A 84 -2.101 -7.082 -0.184 1.00 0.24 H new ATOM 0 HA GLN A 84 -0.760 -5.141 -1.935 1.00 0.21 H new ATOM 0 HB2 GLN A 84 -3.344 -5.926 -2.487 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -3.611 -4.575 -1.404 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -2.349 -3.081 -2.832 1.00 0.26 H new ATOM 0 HG3 GLN A 84 -1.807 -4.411 -3.837 1.00 0.26 H new ATOM 0 HE21 GLN A 84 -4.465 -2.270 -3.025 1.00 0.37 H new ATOM 0 HE22 GLN A 84 -5.505 -2.703 -4.386 1.00 0.37 H new ATOM 1507 N LEU A 85 -1.121 -3.336 -0.143 1.00 0.19 N ATOM 1508 CA LEU A 85 -0.965 -2.472 1.018 1.00 0.20 C ATOM 1509 C LEU A 85 -1.857 -1.241 0.920 1.00 0.19 C ATOM 1510 O LEU A 85 -2.146 -0.767 -0.174 1.00 0.17 O ATOM 1511 CB LEU A 85 0.495 -2.057 1.125 1.00 0.19 C ATOM 1512 CG LEU A 85 1.086 -2.119 2.527 1.00 0.22 C ATOM 1513 CD1 LEU A 85 2.249 -3.098 2.572 1.00 0.25 C ATOM 1514 CD2 LEU A 85 1.526 -0.736 2.960 1.00 0.22 C ATOM 0 H LEU A 85 -0.885 -2.894 -1.031 1.00 0.19 H new ATOM 0 HA LEU A 85 -1.266 -3.021 1.910 1.00 0.20 H new ATOM 0 HB2 LEU A 85 1.087 -2.697 0.470 1.00 0.19 H new ATOM 0 HB3 LEU A 85 0.595 -1.038 0.751 1.00 0.19 H new ATOM 0 HG LEU A 85 0.323 -2.474 3.219 1.00 0.22 H new ATOM 0 HD11 LEU A 85 2.659 -3.130 3.581 1.00 0.25 H new ATOM 0 HD12 LEU A 85 1.899 -4.091 2.291 1.00 0.25 H new ATOM 0 HD13 LEU A 85 3.023 -2.776 1.876 1.00 0.25 H new ATOM 0 HD21 LEU A 85 1.948 -0.786 3.964 1.00 0.22 H new ATOM 0 HD22 LEU A 85 2.280 -0.361 2.268 1.00 0.22 H new ATOM 0 HD23 LEU A 85 0.667 -0.065 2.961 1.00 0.22 H new ATOM 1526 N ASN A 86 -2.303 -0.732 2.073 1.00 0.21 N ATOM 1527 CA ASN A 86 -3.173 0.452 2.107 1.00 0.22 C ATOM 1528 C ASN A 86 -2.698 1.417 3.148 1.00 0.24 C ATOM 1529 O ASN A 86 -1.755 1.131 3.875 1.00 0.25 O ATOM 1530 CB ASN A 86 -4.620 0.100 2.469 1.00 0.25 C ATOM 1531 CG ASN A 86 -5.215 -0.918 1.560 1.00 0.25 C ATOM 1532 OD1 ASN A 86 -6.194 -0.653 0.870 1.00 0.29 O ATOM 1533 ND2 ASN A 86 -4.615 -2.085 1.575 1.00 0.26 N ATOM 0 H ASN A 86 -2.079 -1.117 2.991 1.00 0.21 H new ATOM 0 HA ASN A 86 -3.135 0.882 1.106 1.00 0.22 H new ATOM 0 HB2 ASN A 86 -4.652 -0.272 3.493 1.00 0.25 H new ATOM 0 HB3 ASN A 86 -5.227 1.005 2.439 1.00 0.25 H new ATOM 0 HD21 ASN A 86 -4.960 -2.843 0.986 1.00 0.26 H new ATOM 0 HD22 ASN A 86 -3.804 -2.234 2.175 1.00 0.26 H new ATOM 1540 N ALA A 87 -3.314 2.587 3.183 1.00 0.26 N ATOM 1541 CA ALA A 87 -2.990 3.535 4.217 1.00 0.28 C ATOM 1542 C ALA A 87 -4.229 4.295 4.681 1.00 0.32 C ATOM 1543 O ALA A 87 -4.860 5.007 3.901 1.00 0.33 O ATOM 1544 CB ALA A 87 -1.918 4.492 3.727 1.00 0.27 C ATOM 0 H ALA A 87 -4.026 2.892 2.519 1.00 0.26 H new ATOM 0 HA ALA A 87 -2.604 2.987 5.076 1.00 0.28 H new ATOM 0 HB1 ALA A 87 -1.679 5.206 4.516 1.00 0.27 H new ATOM 0 HB2 ALA A 87 -1.022 3.930 3.462 1.00 0.27 H new ATOM 0 HB3 ALA A 87 -2.282 5.028 2.851 1.00 0.27 H new ATOM 1550 N GLY A 88 -4.565 4.139 5.962 1.00 0.36 N ATOM 1551 CA GLY A 88 -5.704 4.823 6.520 1.00 0.40 C ATOM 1552 C GLY A 88 -5.365 5.714 7.700 1.00 0.44 C ATOM 1553 O GLY A 88 -4.489 6.575 7.611 1.00 0.43 O ATOM 0 H GLY A 88 -4.060 3.545 6.620 1.00 0.36 H new ATOM 0 HA2 GLY A 88 -6.170 5.428 5.742 1.00 0.40 H new ATOM 0 HA3 GLY A 88 -6.442 4.085 6.834 1.00 0.40 H new ATOM 1557 N SER A 89 -6.066 5.497 8.816 1.00 0.48 N ATOM 1558 CA SER A 89 -5.889 6.317 10.016 1.00 0.52 C ATOM 1559 C SER A 89 -4.669 5.962 10.889 1.00 0.52 C ATOM 1560 O SER A 89 -3.844 6.840 11.153 1.00 0.52 O ATOM 1561 CB SER A 89 -7.149 6.264 10.880 1.00 0.56 C ATOM 1562 OG SER A 89 -8.267 6.806 10.196 1.00 0.56 O ATOM 0 H SER A 89 -6.763 4.758 8.913 1.00 0.48 H new ATOM 0 HA SER A 89 -5.702 7.321 9.636 1.00 0.52 H new ATOM 0 HB2 SER A 89 -7.357 5.231 11.160 1.00 0.56 H new ATOM 0 HB3 SER A 89 -6.982 6.817 11.804 1.00 0.56 H new ATOM 0 HG SER A 89 -9.058 6.757 10.772 1.00 0.56 H new ATOM 1568 N LYS A 90 -4.545 4.698 11.364 1.00 0.51 N ATOM 1569 CA LYS A 90 -3.397 4.336 12.229 1.00 0.51 C ATOM 1570 C LYS A 90 -2.098 4.377 11.439 1.00 0.47 C ATOM 1571 O LYS A 90 -1.018 4.170 11.984 1.00 0.47 O ATOM 1572 CB LYS A 90 -3.545 2.961 12.928 1.00 0.53 C ATOM 1573 CG LYS A 90 -3.343 1.760 12.036 1.00 0.56 C ATOM 1574 CD LYS A 90 -4.648 1.053 11.749 1.00 0.71 C ATOM 1575 CE LYS A 90 -4.538 -0.422 12.060 1.00 0.94 C ATOM 1576 NZ LYS A 90 -5.632 -0.878 12.966 1.00 1.25 N ATOM 0 H LYS A 90 -5.199 3.939 11.172 1.00 0.51 H new ATOM 0 HA LYS A 90 -3.378 5.085 13.021 1.00 0.51 H new ATOM 0 HB2 LYS A 90 -2.828 2.909 13.747 1.00 0.53 H new ATOM 0 HB3 LYS A 90 -4.539 2.902 13.370 1.00 0.53 H new ATOM 0 HG2 LYS A 90 -2.886 2.076 11.098 1.00 0.56 H new ATOM 0 HG3 LYS A 90 -2.650 1.066 12.511 1.00 0.56 H new ATOM 0 HD2 LYS A 90 -5.446 1.496 12.345 1.00 0.71 H new ATOM 0 HD3 LYS A 90 -4.918 1.189 10.702 1.00 0.71 H new ATOM 0 HE2 LYS A 90 -4.572 -0.993 11.132 1.00 0.94 H new ATOM 0 HE3 LYS A 90 -3.573 -0.625 12.524 1.00 0.94 H new ATOM 0 HZ1 LYS A 90 -5.524 -1.895 13.157 1.00 1.25 H new ATOM 0 HZ2 LYS A 90 -5.584 -0.351 13.861 1.00 1.25 H new ATOM 0 HZ3 LYS A 90 -6.552 -0.707 12.512 1.00 1.25 H new ATOM 1590 N THR A 91 -2.227 4.636 10.150 1.00 0.45 N ATOM 1591 CA THR A 91 -1.097 4.737 9.257 1.00 0.40 C ATOM 1592 C THR A 91 -0.691 6.206 9.108 1.00 0.42 C ATOM 1593 O THR A 91 -1.533 7.056 8.811 1.00 0.45 O ATOM 1594 CB THR A 91 -1.475 4.203 7.864 1.00 0.36 C ATOM 1595 OG1 THR A 91 -2.382 3.106 7.995 1.00 0.36 O ATOM 1596 CG2 THR A 91 -0.248 3.768 7.079 1.00 0.32 C ATOM 0 H THR A 91 -3.128 4.783 9.694 1.00 0.45 H new ATOM 0 HA THR A 91 -0.275 4.153 9.671 1.00 0.40 H new ATOM 0 HB THR A 91 -1.954 5.013 7.314 1.00 0.36 H new ATOM 0 HG1 THR A 91 -2.168 2.600 8.806 1.00 0.36 H new ATOM 0 HG21 THR A 91 -0.554 3.397 6.101 1.00 0.32 H new ATOM 0 HG22 THR A 91 0.422 4.618 6.951 1.00 0.32 H new ATOM 0 HG23 THR A 91 0.269 2.977 7.622 1.00 0.32 H new ATOM 1604 N LYS A 92 0.578 6.510 9.333 1.00 0.41 N ATOM 1605 CA LYS A 92 1.073 7.878 9.189 1.00 0.42 C ATOM 1606 C LYS A 92 2.179 7.901 8.142 1.00 0.39 C ATOM 1607 O LYS A 92 3.253 7.338 8.364 1.00 0.37 O ATOM 1608 CB LYS A 92 1.605 8.415 10.528 1.00 0.46 C ATOM 1609 CG LYS A 92 0.719 9.477 11.173 1.00 0.51 C ATOM 1610 CD LYS A 92 -0.529 8.866 11.796 1.00 0.55 C ATOM 1611 CE LYS A 92 -1.414 9.925 12.438 1.00 0.60 C ATOM 1612 NZ LYS A 92 -2.554 9.316 13.178 1.00 0.67 N ATOM 0 H LYS A 92 1.286 5.832 9.616 1.00 0.41 H new ATOM 0 HA LYS A 92 0.250 8.519 8.873 1.00 0.42 H new ATOM 0 HB2 LYS A 92 1.718 7.582 11.222 1.00 0.46 H new ATOM 0 HB3 LYS A 92 2.599 8.834 10.369 1.00 0.46 H new ATOM 0 HG2 LYS A 92 1.285 10.008 11.938 1.00 0.51 H new ATOM 0 HG3 LYS A 92 0.429 10.213 10.423 1.00 0.51 H new ATOM 0 HD2 LYS A 92 -1.095 8.334 11.031 1.00 0.55 H new ATOM 0 HD3 LYS A 92 -0.238 8.131 12.546 1.00 0.55 H new ATOM 0 HE2 LYS A 92 -0.819 10.531 13.121 1.00 0.60 H new ATOM 0 HE3 LYS A 92 -1.796 10.595 11.668 1.00 0.60 H new ATOM 0 HZ1 LYS A 92 -3.134 10.068 13.602 1.00 0.67 H new ATOM 0 HZ2 LYS A 92 -3.136 8.758 12.521 1.00 0.67 H new ATOM 0 HZ3 LYS A 92 -2.189 8.696 13.929 1.00 0.67 H new ATOM 1626 N ILE A 93 1.926 8.534 6.995 1.00 0.37 N ATOM 1627 CA ILE A 93 2.942 8.574 5.947 1.00 0.35 C ATOM 1628 C ILE A 93 3.736 9.873 6.004 1.00 0.37 C ATOM 1629 O ILE A 93 3.184 10.936 6.288 1.00 0.40 O ATOM 1630 CB ILE A 93 2.321 8.435 4.543 1.00 0.32 C ATOM 1631 CG1 ILE A 93 1.171 7.424 4.560 1.00 0.31 C ATOM 1632 CG2 ILE A 93 3.388 8.019 3.539 1.00 0.29 C ATOM 1633 CD1 ILE A 93 0.426 7.330 3.245 1.00 0.29 C ATOM 0 H ILE A 93 1.053 9.012 6.773 1.00 0.37 H new ATOM 0 HA ILE A 93 3.606 7.729 6.126 1.00 0.35 H new ATOM 0 HB ILE A 93 1.917 9.402 4.242 1.00 0.32 H new ATOM 0 HG12 ILE A 93 1.567 6.441 4.815 1.00 0.31 H new ATOM 0 HG13 ILE A 93 0.469 7.699 5.347 1.00 0.31 H new ATOM 0 HG21 ILE A 93 2.940 7.923 2.550 1.00 0.29 H new ATOM 0 HG22 ILE A 93 4.174 8.774 3.510 1.00 0.29 H new ATOM 0 HG23 ILE A 93 3.815 7.062 3.838 1.00 0.29 H new ATOM 0 HD11 ILE A 93 -0.374 6.595 3.332 1.00 0.29 H new ATOM 0 HD12 ILE A 93 0.000 8.302 2.998 1.00 0.29 H new ATOM 0 HD13 ILE A 93 1.115 7.025 2.457 1.00 0.29 H new ATOM 1645 N ALA A 94 5.036 9.780 5.736 1.00 0.36 N ATOM 1646 CA ALA A 94 5.899 10.954 5.757 1.00 0.38 C ATOM 1647 C ALA A 94 7.229 10.677 5.065 1.00 0.36 C ATOM 1648 O ALA A 94 7.698 9.540 5.028 1.00 0.34 O ATOM 1649 CB ALA A 94 6.133 11.415 7.190 1.00 0.41 C ATOM 0 H ALA A 94 5.511 8.908 5.503 1.00 0.36 H new ATOM 0 HA ALA A 94 5.395 11.750 5.208 1.00 0.38 H new ATOM 0 HB1 ALA A 94 6.779 12.293 7.189 1.00 0.41 H new ATOM 0 HB2 ALA A 94 5.178 11.668 7.651 1.00 0.41 H new ATOM 0 HB3 ALA A 94 6.609 10.615 7.757 1.00 0.41 H new ATOM 1655 N GLU A 95 7.831 11.730 4.518 1.00 0.38 N ATOM 1656 CA GLU A 95 9.109 11.608 3.824 1.00 0.37 C ATOM 1657 C GLU A 95 10.221 11.233 4.799 1.00 0.37 C ATOM 1658 O GLU A 95 10.331 11.808 5.881 1.00 0.40 O ATOM 1659 CB GLU A 95 9.455 12.919 3.117 1.00 0.39 C ATOM 1660 CG GLU A 95 8.306 13.493 2.303 1.00 0.40 C ATOM 1661 CD GLU A 95 7.685 14.714 2.951 1.00 0.44 C ATOM 1662 OE1 GLU A 95 8.324 15.786 2.932 1.00 0.46 O ATOM 1663 OE2 GLU A 95 6.559 14.597 3.480 1.00 0.44 O ATOM 0 H GLU A 95 7.454 12.677 4.542 1.00 0.38 H new ATOM 0 HA GLU A 95 9.019 10.816 3.081 1.00 0.37 H new ATOM 0 HB2 GLU A 95 9.764 13.653 3.861 1.00 0.39 H new ATOM 0 HB3 GLU A 95 10.308 12.753 2.459 1.00 0.39 H new ATOM 0 HG2 GLU A 95 8.667 13.758 1.309 1.00 0.40 H new ATOM 0 HG3 GLU A 95 7.541 12.728 2.171 1.00 0.40 H new ATOM 1670 N ALA A 96 11.043 10.266 4.404 1.00 0.36 N ATOM 1671 CA ALA A 96 12.147 9.811 5.241 1.00 0.36 C ATOM 1672 C ALA A 96 13.476 9.921 4.504 1.00 0.37 C ATOM 1673 O ALA A 96 13.568 9.602 3.319 1.00 0.36 O ATOM 1674 CB ALA A 96 11.910 8.378 5.689 1.00 0.34 C ATOM 0 H ALA A 96 10.965 9.782 3.509 1.00 0.36 H new ATOM 0 HA ALA A 96 12.194 10.454 6.120 1.00 0.36 H new ATOM 0 HB1 ALA A 96 12.741 8.050 6.313 1.00 0.34 H new ATOM 0 HB2 ALA A 96 10.983 8.324 6.261 1.00 0.34 H new ATOM 0 HB3 ALA A 96 11.835 7.731 4.815 1.00 0.34 H new ATOM 1680 N SER A 97 14.505 10.381 5.211 1.00 0.39 N ATOM 1681 CA SER A 97 15.831 10.532 4.622 1.00 0.40 C ATOM 1682 C SER A 97 16.801 9.502 5.191 1.00 0.41 C ATOM 1683 O SER A 97 16.976 9.405 6.407 1.00 0.41 O ATOM 1684 CB SER A 97 16.366 11.944 4.869 1.00 0.43 C ATOM 1685 OG SER A 97 16.256 12.298 6.236 1.00 0.44 O ATOM 0 H SER A 97 14.445 10.655 6.192 1.00 0.39 H new ATOM 0 HA SER A 97 15.743 10.367 3.548 1.00 0.40 H new ATOM 0 HB2 SER A 97 17.409 12.001 4.558 1.00 0.43 H new ATOM 0 HB3 SER A 97 15.812 12.658 4.259 1.00 0.43 H new ATOM 0 HG SER A 97 16.441 11.513 6.793 1.00 0.44 H new ATOM 1691 N GLU A 98 17.430 8.734 4.307 1.00 0.41 N ATOM 1692 CA GLU A 98 18.384 7.712 4.724 1.00 0.41 C ATOM 1693 C GLU A 98 19.699 7.856 3.963 1.00 0.44 C ATOM 1694 O GLU A 98 20.048 8.949 3.511 1.00 0.45 O ATOM 1695 CB GLU A 98 17.794 6.317 4.502 1.00 0.40 C ATOM 1696 CG GLU A 98 16.593 6.019 5.382 1.00 0.38 C ATOM 1697 CD GLU A 98 16.957 5.208 6.609 1.00 0.39 C ATOM 1698 OE1 GLU A 98 17.737 4.242 6.474 1.00 0.40 O ATOM 1699 OE2 GLU A 98 16.462 5.540 7.709 1.00 0.39 O ATOM 0 H GLU A 98 17.296 8.800 3.298 1.00 0.41 H new ATOM 0 HA GLU A 98 18.587 7.845 5.787 1.00 0.41 H new ATOM 0 HB2 GLU A 98 17.502 6.217 3.457 1.00 0.40 H new ATOM 0 HB3 GLU A 98 18.566 5.571 4.690 1.00 0.40 H new ATOM 0 HG2 GLU A 98 16.134 6.957 5.694 1.00 0.38 H new ATOM 0 HG3 GLU A 98 15.847 5.477 4.801 1.00 0.38 H new ATOM 1706 N ASP A 99 20.429 6.753 3.826 1.00 0.45 N ATOM 1707 CA ASP A 99 21.705 6.761 3.119 1.00 0.47 C ATOM 1708 C ASP A 99 21.495 6.683 1.610 1.00 0.48 C ATOM 1709 O ASP A 99 22.425 6.379 0.861 1.00 0.50 O ATOM 1710 CB ASP A 99 22.577 5.595 3.586 1.00 0.49 C ATOM 1711 CG ASP A 99 23.267 5.881 4.904 1.00 0.50 C ATOM 1712 OD1 ASP A 99 22.558 6.095 5.911 1.00 0.49 O ATOM 1713 OD2 ASP A 99 24.516 5.892 4.932 1.00 0.52 O ATOM 0 H ASP A 99 20.158 5.842 4.196 1.00 0.45 H new ATOM 0 HA ASP A 99 22.211 7.699 3.347 1.00 0.47 H new ATOM 0 HB2 ASP A 99 21.960 4.702 3.688 1.00 0.49 H new ATOM 0 HB3 ASP A 99 23.327 5.379 2.826 1.00 0.49 H new ATOM 1718 N GLY A 100 20.272 6.957 1.170 1.00 0.45 N ATOM 1719 CA GLY A 100 19.965 6.913 -0.248 1.00 0.46 C ATOM 1720 C GLY A 100 19.210 5.659 -0.643 1.00 0.44 C ATOM 1721 O GLY A 100 19.809 4.686 -1.101 1.00 0.46 O ATOM 0 H GLY A 100 19.487 7.209 1.770 1.00 0.45 H new ATOM 0 HA2 GLY A 100 19.373 7.788 -0.515 1.00 0.46 H new ATOM 0 HA3 GLY A 100 20.892 6.969 -0.819 1.00 0.46 H new ATOM 1725 N PHE A 101 17.892 5.682 -0.463 1.00 0.41 N ATOM 1726 CA PHE A 101 17.053 4.538 -0.806 1.00 0.40 C ATOM 1727 C PHE A 101 17.157 4.219 -2.297 1.00 0.42 C ATOM 1728 O PHE A 101 17.315 5.124 -3.117 1.00 0.43 O ATOM 1729 CB PHE A 101 15.596 4.821 -0.430 1.00 0.36 C ATOM 1730 CG PHE A 101 14.968 3.745 0.409 1.00 0.35 C ATOM 1731 CD1 PHE A 101 15.392 3.523 1.711 1.00 0.35 C ATOM 1732 CD2 PHE A 101 13.954 2.953 -0.104 1.00 0.33 C ATOM 1733 CE1 PHE A 101 14.818 2.532 2.482 1.00 0.34 C ATOM 1734 CE2 PHE A 101 13.377 1.959 0.664 1.00 0.32 C ATOM 1735 CZ PHE A 101 13.812 1.747 1.957 1.00 0.33 C ATOM 0 H PHE A 101 17.383 6.479 -0.082 1.00 0.41 H new ATOM 0 HA PHE A 101 17.404 3.673 -0.243 1.00 0.40 H new ATOM 0 HB2 PHE A 101 15.547 5.766 0.111 1.00 0.36 H new ATOM 0 HB3 PHE A 101 15.012 4.945 -1.342 1.00 0.36 H new ATOM 0 HD1 PHE A 101 16.181 4.133 2.127 1.00 0.35 H new ATOM 0 HD2 PHE A 101 13.610 3.114 -1.115 1.00 0.33 H new ATOM 0 HE1 PHE A 101 15.156 2.371 3.495 1.00 0.34 H new ATOM 0 HE2 PHE A 101 12.586 1.349 0.253 1.00 0.32 H new ATOM 0 HZ PHE A 101 13.365 0.968 2.557 1.00 0.33 H new ATOM 1745 N PRO A 102 17.071 2.926 -2.669 1.00 0.42 N ATOM 1746 CA PRO A 102 17.158 2.500 -4.072 1.00 0.44 C ATOM 1747 C PRO A 102 16.205 3.274 -4.977 1.00 0.43 C ATOM 1748 O PRO A 102 15.096 3.622 -4.573 1.00 0.40 O ATOM 1749 CB PRO A 102 16.763 1.024 -4.019 1.00 0.44 C ATOM 1750 CG PRO A 102 17.122 0.587 -2.643 1.00 0.44 C ATOM 1751 CD PRO A 102 16.888 1.779 -1.758 1.00 0.41 C ATOM 0 HA PRO A 102 18.149 2.677 -4.489 1.00 0.44 H new ATOM 0 HB2 PRO A 102 15.698 0.892 -4.212 1.00 0.44 H new ATOM 0 HB3 PRO A 102 17.297 0.444 -4.771 1.00 0.44 H new ATOM 0 HG2 PRO A 102 16.510 -0.258 -2.329 1.00 0.44 H new ATOM 0 HG3 PRO A 102 18.162 0.263 -2.595 1.00 0.44 H new ATOM 0 HD2 PRO A 102 15.888 1.767 -1.324 1.00 0.41 H new ATOM 0 HD3 PRO A 102 17.595 1.808 -0.929 1.00 0.41 H new ATOM 1759 N GLU A 103 16.649 3.539 -6.203 1.00 0.46 N ATOM 1760 CA GLU A 103 15.837 4.271 -7.169 1.00 0.46 C ATOM 1761 C GLU A 103 14.715 3.394 -7.714 1.00 0.45 C ATOM 1762 O GLU A 103 14.774 2.167 -7.626 1.00 0.45 O ATOM 1763 CB GLU A 103 16.710 4.775 -8.321 1.00 0.50 C ATOM 1764 CG GLU A 103 16.214 6.075 -8.937 1.00 0.50 C ATOM 1765 CD GLU A 103 17.236 6.708 -9.859 1.00 0.54 C ATOM 1766 OE1 GLU A 103 18.288 7.161 -9.361 1.00 0.55 O ATOM 1767 OE2 GLU A 103 16.987 6.750 -11.084 1.00 0.56 O ATOM 0 H GLU A 103 17.566 3.258 -6.550 1.00 0.46 H new ATOM 0 HA GLU A 103 15.391 5.124 -6.658 1.00 0.46 H new ATOM 0 HB2 GLU A 103 17.728 4.919 -7.958 1.00 0.50 H new ATOM 0 HB3 GLU A 103 16.753 4.009 -9.095 1.00 0.50 H new ATOM 0 HG2 GLU A 103 15.297 5.883 -9.494 1.00 0.50 H new ATOM 0 HG3 GLU A 103 15.963 6.777 -8.142 1.00 0.50 H new ATOM 1774 N SER A 104 13.696 4.032 -8.280 1.00 0.43 N ATOM 1775 CA SER A 104 12.557 3.312 -8.842 1.00 0.42 C ATOM 1776 C SER A 104 12.982 2.456 -10.032 1.00 0.46 C ATOM 1777 O SER A 104 12.355 1.439 -10.330 1.00 0.45 O ATOM 1778 CB SER A 104 11.469 4.298 -9.273 1.00 0.41 C ATOM 1779 OG SER A 104 11.312 5.336 -8.320 1.00 0.39 O ATOM 0 H SER A 104 13.635 5.047 -8.362 1.00 0.43 H new ATOM 0 HA SER A 104 12.160 2.653 -8.069 1.00 0.42 H new ATOM 0 HB2 SER A 104 11.725 4.726 -10.242 1.00 0.41 H new ATOM 0 HB3 SER A 104 10.524 3.769 -9.398 1.00 0.41 H new ATOM 0 HG SER A 104 10.384 5.355 -8.007 1.00 0.39 H new ATOM 1785 N SER A 105 14.047 2.875 -10.706 1.00 0.49 N ATOM 1786 CA SER A 105 14.554 2.146 -11.865 1.00 0.53 C ATOM 1787 C SER A 105 15.434 0.978 -11.433 1.00 0.55 C ATOM 1788 O SER A 105 15.875 0.182 -12.262 1.00 0.58 O ATOM 1789 CB SER A 105 15.344 3.085 -12.777 1.00 0.56 C ATOM 1790 OG SER A 105 14.763 3.150 -14.069 1.00 0.58 O ATOM 0 H SER A 105 14.576 3.715 -10.471 1.00 0.49 H new ATOM 0 HA SER A 105 13.701 1.749 -12.414 1.00 0.53 H new ATOM 0 HB2 SER A 105 15.375 4.082 -12.338 1.00 0.56 H new ATOM 0 HB3 SER A 105 16.375 2.739 -12.855 1.00 0.56 H new ATOM 0 HG SER A 105 15.286 3.758 -14.632 1.00 0.58 H new ATOM 1796 N GLN A 106 15.686 0.884 -10.132 1.00 0.52 N ATOM 1797 CA GLN A 106 16.512 -0.188 -9.587 1.00 0.54 C ATOM 1798 C GLN A 106 15.754 -0.965 -8.516 1.00 0.51 C ATOM 1799 O GLN A 106 16.333 -1.783 -7.803 1.00 0.52 O ATOM 1800 CB GLN A 106 17.806 0.383 -9.001 1.00 0.55 C ATOM 1801 CG GLN A 106 18.515 1.360 -9.924 1.00 0.58 C ATOM 1802 CD GLN A 106 19.959 1.597 -9.528 1.00 0.60 C ATOM 1803 OE1 GLN A 106 20.406 2.738 -9.420 1.00 0.60 O ATOM 1804 NE2 GLN A 106 20.697 0.513 -9.307 1.00 0.62 N ATOM 0 H GLN A 106 15.330 1.538 -9.434 1.00 0.52 H new ATOM 0 HA GLN A 106 16.761 -0.871 -10.399 1.00 0.54 H new ATOM 0 HB2 GLN A 106 17.578 0.885 -8.061 1.00 0.55 H new ATOM 0 HB3 GLN A 106 18.483 -0.439 -8.768 1.00 0.55 H new ATOM 0 HG2 GLN A 106 18.480 0.979 -10.945 1.00 0.58 H new ATOM 0 HG3 GLN A 106 17.981 2.310 -9.920 1.00 0.58 H new ATOM 0 HE21 GLN A 106 20.284 -0.414 -9.408 1.00 0.62 H new ATOM 0 HE22 GLN A 106 21.676 0.609 -9.036 1.00 0.62 H new ATOM 1813 N ILE A 107 14.455 -0.701 -8.413 1.00 0.48 N ATOM 1814 CA ILE A 107 13.615 -1.371 -7.429 1.00 0.45 C ATOM 1815 C ILE A 107 12.915 -2.588 -8.042 1.00 0.46 C ATOM 1816 O ILE A 107 12.185 -2.457 -9.026 1.00 0.46 O ATOM 1817 CB ILE A 107 12.557 -0.401 -6.847 1.00 0.40 C ATOM 1818 CG1 ILE A 107 13.154 0.394 -5.686 1.00 0.39 C ATOM 1819 CG2 ILE A 107 11.311 -1.152 -6.389 1.00 0.38 C ATOM 1820 CD1 ILE A 107 12.418 1.683 -5.395 1.00 0.36 C ATOM 0 H ILE A 107 13.962 -0.028 -9.000 1.00 0.48 H new ATOM 0 HA ILE A 107 14.265 -1.708 -6.622 1.00 0.45 H new ATOM 0 HB ILE A 107 12.261 0.290 -7.636 1.00 0.40 H new ATOM 0 HG12 ILE A 107 13.150 -0.227 -4.791 1.00 0.39 H new ATOM 0 HG13 ILE A 107 14.196 0.623 -5.910 1.00 0.39 H new ATOM 0 HG21 ILE A 107 10.587 -0.444 -5.985 1.00 0.38 H new ATOM 0 HG22 ILE A 107 10.871 -1.678 -7.236 1.00 0.38 H new ATOM 0 HG23 ILE A 107 11.583 -1.872 -5.617 1.00 0.38 H new ATOM 0 HD11 ILE A 107 12.896 2.195 -4.560 1.00 0.36 H new ATOM 0 HD12 ILE A 107 12.444 2.324 -6.276 1.00 0.36 H new ATOM 0 HD13 ILE A 107 11.382 1.461 -5.139 1.00 0.36 H new ATOM 1832 N PRO A 108 13.136 -3.794 -7.475 1.00 0.47 N ATOM 1833 CA PRO A 108 12.510 -5.026 -7.973 1.00 0.48 C ATOM 1834 C PRO A 108 10.994 -4.901 -8.079 1.00 0.45 C ATOM 1835 O PRO A 108 10.392 -3.986 -7.514 1.00 0.41 O ATOM 1836 CB PRO A 108 12.889 -6.070 -6.920 1.00 0.49 C ATOM 1837 CG PRO A 108 14.144 -5.553 -6.311 1.00 0.50 C ATOM 1838 CD PRO A 108 14.015 -4.055 -6.320 1.00 0.47 C ATOM 0 HA PRO A 108 12.847 -5.277 -8.979 1.00 0.48 H new ATOM 0 HB2 PRO A 108 12.103 -6.182 -6.173 1.00 0.49 H new ATOM 0 HB3 PRO A 108 13.042 -7.050 -7.371 1.00 0.49 H new ATOM 0 HG2 PRO A 108 14.270 -5.929 -5.296 1.00 0.50 H new ATOM 0 HG3 PRO A 108 15.016 -5.874 -6.880 1.00 0.50 H new ATOM 0 HD2 PRO A 108 13.580 -3.684 -5.392 1.00 0.47 H new ATOM 0 HD3 PRO A 108 14.984 -3.569 -6.435 1.00 0.47 H new ATOM 1846 N GLU A 109 10.382 -5.828 -8.808 1.00 0.47 N ATOM 1847 CA GLU A 109 8.935 -5.821 -9.001 1.00 0.44 C ATOM 1848 C GLU A 109 8.304 -7.099 -8.455 1.00 0.44 C ATOM 1849 O GLU A 109 7.130 -7.375 -8.704 1.00 0.43 O ATOM 1850 CB GLU A 109 8.598 -5.664 -10.486 1.00 0.46 C ATOM 1851 CG GLU A 109 9.395 -6.587 -11.394 1.00 0.51 C ATOM 1852 CD GLU A 109 8.862 -6.610 -12.813 1.00 0.53 C ATOM 1853 OE1 GLU A 109 7.834 -7.279 -13.051 1.00 0.52 O ATOM 1854 OE2 GLU A 109 9.472 -5.959 -13.688 1.00 0.55 O ATOM 0 H GLU A 109 10.865 -6.595 -9.276 1.00 0.47 H new ATOM 0 HA GLU A 109 8.525 -4.974 -8.451 1.00 0.44 H new ATOM 0 HB2 GLU A 109 7.535 -5.856 -10.631 1.00 0.46 H new ATOM 0 HB3 GLU A 109 8.779 -4.631 -10.783 1.00 0.46 H new ATOM 0 HG2 GLU A 109 10.437 -6.268 -11.406 1.00 0.51 H new ATOM 0 HG3 GLU A 109 9.376 -7.598 -10.986 1.00 0.51 H new ATOM 1861 N ASN A 110 9.092 -7.874 -7.717 1.00 0.46 N ATOM 1862 CA ASN A 110 8.613 -9.124 -7.135 1.00 0.48 C ATOM 1863 C ASN A 110 7.358 -8.891 -6.296 1.00 0.44 C ATOM 1864 O ASN A 110 7.362 -8.087 -5.366 1.00 0.41 O ATOM 1865 CB ASN A 110 9.704 -9.761 -6.272 1.00 0.50 C ATOM 1866 CG ASN A 110 9.665 -11.276 -6.316 1.00 0.54 C ATOM 1867 OD1 ASN A 110 8.754 -11.901 -5.771 1.00 0.53 O ATOM 1868 ND2 ASN A 110 10.654 -11.876 -6.966 1.00 0.58 N ATOM 0 H ASN A 110 10.067 -7.659 -7.507 1.00 0.46 H new ATOM 0 HA ASN A 110 8.362 -9.801 -7.952 1.00 0.48 H new ATOM 0 HB2 ASN A 110 10.680 -9.415 -6.612 1.00 0.50 H new ATOM 0 HB3 ASN A 110 9.589 -9.427 -5.241 1.00 0.50 H new ATOM 0 HD21 ASN A 110 10.680 -12.894 -7.029 1.00 0.58 H new ATOM 0 HD22 ASN A 110 11.389 -11.319 -7.403 1.00 0.58 H new ATOM 1875 N THR A 111 6.289 -9.603 -6.637 1.00 0.44 N ATOM 1876 CA THR A 111 5.025 -9.479 -5.922 1.00 0.41 C ATOM 1877 C THR A 111 4.959 -10.458 -4.751 1.00 0.42 C ATOM 1878 O THR A 111 4.915 -11.671 -4.954 1.00 0.45 O ATOM 1879 CB THR A 111 3.826 -9.737 -6.856 1.00 0.40 C ATOM 1880 OG1 THR A 111 4.289 -10.121 -8.156 1.00 0.44 O ATOM 1881 CG2 THR A 111 2.952 -8.498 -6.969 1.00 0.36 C ATOM 0 H THR A 111 6.273 -10.273 -7.406 1.00 0.44 H new ATOM 0 HA THR A 111 4.972 -8.458 -5.545 1.00 0.41 H new ATOM 0 HB THR A 111 3.231 -10.545 -6.431 1.00 0.40 H new ATOM 0 HG1 THR A 111 3.521 -10.284 -8.742 1.00 0.44 H new ATOM 0 HG21 THR A 111 2.113 -8.704 -7.633 1.00 0.36 H new ATOM 0 HG22 THR A 111 2.576 -8.227 -5.982 1.00 0.36 H new ATOM 0 HG23 THR A 111 3.540 -7.674 -7.373 1.00 0.36 H new ATOM 1889 N PRO A 112 4.952 -9.948 -3.501 1.00 0.40 N ATOM 1890 CA PRO A 112 4.893 -10.796 -2.303 1.00 0.42 C ATOM 1891 C PRO A 112 3.669 -11.706 -2.297 1.00 0.43 C ATOM 1892 O PRO A 112 2.571 -11.292 -2.669 1.00 0.40 O ATOM 1893 CB PRO A 112 4.815 -9.790 -1.152 1.00 0.38 C ATOM 1894 CG PRO A 112 5.393 -8.534 -1.706 1.00 0.36 C ATOM 1895 CD PRO A 112 5.008 -8.515 -3.156 1.00 0.36 C ATOM 0 HA PRO A 112 5.749 -11.468 -2.240 1.00 0.42 H new ATOM 0 HB2 PRO A 112 3.786 -9.642 -0.825 1.00 0.38 H new ATOM 0 HB3 PRO A 112 5.378 -10.136 -0.285 1.00 0.38 H new ATOM 0 HG2 PRO A 112 5.002 -7.660 -1.185 1.00 0.36 H new ATOM 0 HG3 PRO A 112 6.476 -8.516 -1.588 1.00 0.36 H new ATOM 0 HD2 PRO A 112 4.048 -8.024 -3.313 1.00 0.36 H new ATOM 0 HD3 PRO A 112 5.741 -7.982 -3.762 1.00 0.36 H new ATOM 1903 N THR A 113 3.869 -12.949 -1.866 1.00 0.46 N ATOM 1904 CA THR A 113 2.784 -13.922 -1.808 1.00 0.48 C ATOM 1905 C THR A 113 3.036 -14.960 -0.718 1.00 0.51 C ATOM 1906 O THR A 113 4.079 -15.615 -0.702 1.00 0.54 O ATOM 1907 CB THR A 113 2.603 -14.646 -3.157 1.00 0.50 C ATOM 1908 OG1 THR A 113 3.383 -14.000 -4.169 1.00 0.49 O ATOM 1909 CG2 THR A 113 1.140 -14.661 -3.571 1.00 0.49 C ATOM 0 H THR A 113 4.772 -13.305 -1.552 1.00 0.46 H new ATOM 0 HA THR A 113 1.874 -13.367 -1.578 1.00 0.48 H new ATOM 0 HB THR A 113 2.942 -15.675 -3.039 1.00 0.50 H new ATOM 0 HG1 THR A 113 3.263 -14.467 -5.022 1.00 0.49 H new ATOM 0 HG21 THR A 113 1.037 -15.177 -4.526 1.00 0.49 H new ATOM 0 HG22 THR A 113 0.553 -15.180 -2.813 1.00 0.49 H new ATOM 0 HG23 THR A 113 0.780 -13.637 -3.671 1.00 0.49 H new ATOM 1917 N ALA A 114 2.075 -15.103 0.190 1.00 0.51 N ATOM 1918 CA ALA A 114 2.193 -16.060 1.286 1.00 0.54 C ATOM 1919 C ALA A 114 2.218 -17.493 0.763 1.00 0.58 C ATOM 1920 O ALA A 114 1.863 -17.750 -0.386 1.00 0.58 O ATOM 1921 CB ALA A 114 1.050 -15.876 2.272 1.00 0.53 C ATOM 0 H ALA A 114 1.206 -14.569 0.189 1.00 0.51 H new ATOM 0 HA ALA A 114 3.136 -15.872 1.800 1.00 0.54 H new ATOM 0 HB1 ALA A 114 1.151 -16.596 3.084 1.00 0.53 H new ATOM 0 HB2 ALA A 114 1.079 -14.865 2.678 1.00 0.53 H new ATOM 0 HB3 ALA A 114 0.100 -16.035 1.762 1.00 0.53 H new ATOM 1927 N ARG A 115 2.642 -18.421 1.616 1.00 0.61 N ATOM 1928 CA ARG A 115 2.714 -19.828 1.241 1.00 0.65 C ATOM 1929 C ARG A 115 1.381 -20.528 1.488 1.00 0.66 C ATOM 1930 O ARG A 115 0.714 -20.275 2.492 1.00 0.66 O ATOM 1931 CB ARG A 115 3.825 -20.535 2.024 1.00 0.69 C ATOM 1932 CG ARG A 115 3.752 -20.308 3.526 1.00 0.69 C ATOM 1933 CD ARG A 115 4.969 -20.880 4.234 1.00 0.72 C ATOM 1934 NE ARG A 115 6.218 -20.369 3.675 1.00 0.71 N ATOM 1935 CZ ARG A 115 7.241 -21.142 3.321 1.00 0.74 C ATOM 1936 NH1 ARG A 115 7.168 -22.457 3.477 1.00 0.78 N ATOM 1937 NH2 ARG A 115 8.338 -20.599 2.811 1.00 0.73 N ATOM 0 H ARG A 115 2.941 -18.223 2.571 1.00 0.61 H new ATOM 0 HA ARG A 115 2.941 -19.879 0.176 1.00 0.65 H new ATOM 0 HB2 ARG A 115 3.774 -21.605 1.824 1.00 0.69 H new ATOM 0 HB3 ARG A 115 4.792 -20.188 1.659 1.00 0.69 H new ATOM 0 HG2 ARG A 115 3.679 -19.240 3.731 1.00 0.69 H new ATOM 0 HG3 ARG A 115 2.848 -20.771 3.922 1.00 0.69 H new ATOM 0 HD2 ARG A 115 4.920 -20.635 5.295 1.00 0.72 H new ATOM 0 HD3 ARG A 115 4.955 -21.967 4.157 1.00 0.72 H new ATOM 0 HE ARG A 115 6.311 -19.361 3.549 1.00 0.71 H new ATOM 0 HH11 ARG A 115 6.326 -22.878 3.869 1.00 0.78 H new ATOM 0 HH12 ARG A 115 7.954 -23.047 3.205 1.00 0.78 H new ATOM 0 HH21 ARG A 115 8.398 -19.588 2.690 1.00 0.73 H new ATOM 0 HH22 ARG A 115 9.122 -21.192 2.540 1.00 0.73 H new ATOM 1951 N ARG A 116 1.001 -21.404 0.566 1.00 0.68 N ATOM 1952 CA ARG A 116 -0.253 -22.143 0.679 1.00 0.70 C ATOM 1953 C ARG A 116 0.011 -23.629 0.891 1.00 0.74 C ATOM 1954 O ARG A 116 1.013 -24.166 0.419 1.00 0.77 O ATOM 1955 CB ARG A 116 -1.105 -21.936 -0.575 1.00 0.68 C ATOM 1956 CG ARG A 116 -1.783 -20.579 -0.634 1.00 0.64 C ATOM 1957 CD ARG A 116 -2.724 -20.478 -1.823 1.00 0.63 C ATOM 1958 NE ARG A 116 -2.197 -19.605 -2.867 1.00 0.60 N ATOM 1959 CZ ARG A 116 -2.179 -18.277 -2.783 1.00 0.56 C ATOM 1960 NH1 ARG A 116 -2.656 -17.671 -1.702 1.00 0.55 N ATOM 1961 NH2 ARG A 116 -1.682 -17.554 -3.776 1.00 0.55 N ATOM 0 H ARG A 116 1.543 -21.621 -0.270 1.00 0.68 H new ATOM 0 HA ARG A 116 -0.796 -21.762 1.544 1.00 0.70 H new ATOM 0 HB2 ARG A 116 -0.474 -22.056 -1.456 1.00 0.68 H new ATOM 0 HB3 ARG A 116 -1.866 -22.715 -0.619 1.00 0.68 H new ATOM 0 HG2 ARG A 116 -2.340 -20.409 0.287 1.00 0.64 H new ATOM 0 HG3 ARG A 116 -1.027 -19.796 -0.699 1.00 0.64 H new ATOM 0 HD2 ARG A 116 -2.895 -21.473 -2.235 1.00 0.63 H new ATOM 0 HD3 ARG A 116 -3.690 -20.101 -1.489 1.00 0.63 H new ATOM 0 HE ARG A 116 -1.820 -20.038 -3.710 1.00 0.60 H new ATOM 0 HH11 ARG A 116 -3.037 -18.224 -0.934 1.00 0.55 H new ATOM 0 HH12 ARG A 116 -2.641 -16.653 -1.640 1.00 0.55 H new ATOM 0 HH21 ARG A 116 -1.312 -18.015 -4.607 1.00 0.55 H new ATOM 0 HH22 ARG A 116 -1.669 -16.536 -3.709 1.00 0.55 H new ATOM 1975 N ARG A 117 -0.899 -24.292 1.603 1.00 0.76 N ATOM 1976 CA ARG A 117 -0.765 -25.718 1.876 1.00 0.80 C ATOM 1977 C ARG A 117 -1.195 -26.546 0.670 1.00 0.82 C ATOM 1978 O ARG A 117 -0.424 -27.467 0.299 1.00 0.85 O ATOM 1979 CB ARG A 117 -1.599 -26.105 3.099 1.00 0.82 C ATOM 1980 CG ARG A 117 -1.447 -25.146 4.268 1.00 0.80 C ATOM 1981 CD ARG A 117 -2.332 -25.549 5.436 1.00 0.81 C ATOM 1982 NE ARG A 117 -3.649 -24.922 5.366 1.00 0.79 N ATOM 1983 CZ ARG A 117 -4.624 -25.147 6.241 1.00 0.81 C ATOM 1984 NH1 ARG A 117 -4.433 -25.985 7.253 1.00 0.84 N ATOM 1985 NH2 ARG A 117 -5.793 -24.536 6.106 1.00 0.79 N ATOM 1986 OXT ARG A 117 -2.275 -26.278 0.050 1.00 0.81 O ATOM 0 H ARG A 117 -1.735 -23.863 2.000 1.00 0.76 H new ATOM 0 HA ARG A 117 0.285 -25.926 2.080 1.00 0.80 H new ATOM 0 HB2 ARG A 117 -2.650 -26.151 2.812 1.00 0.82 H new ATOM 0 HB3 ARG A 117 -1.313 -27.106 3.422 1.00 0.82 H new ATOM 0 HG2 ARG A 117 -0.406 -25.124 4.589 1.00 0.80 H new ATOM 0 HG3 ARG A 117 -1.703 -24.136 3.947 1.00 0.80 H new ATOM 0 HD2 ARG A 117 -2.447 -26.633 5.447 1.00 0.81 H new ATOM 0 HD3 ARG A 117 -1.847 -25.270 6.371 1.00 0.81 H new ATOM 0 HE ARG A 117 -3.831 -24.273 4.600 1.00 0.79 H new ATOM 0 HH11 ARG A 117 -3.536 -26.458 7.361 1.00 0.84 H new ATOM 0 HH12 ARG A 117 -5.183 -26.155 7.923 1.00 0.84 H new ATOM 0 HH21 ARG A 117 -5.945 -23.892 5.330 1.00 0.79 H new ATOM 0 HH22 ARG A 117 -6.540 -24.710 6.778 1.00 0.79 H new