USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 821 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 57 TYR OH : rot 180:sc= -0.116 USER MOD Set 1.2: A 107 MET CE :methyl -145:sc= 0 (180deg=-1.3) USER MOD Single : A 19 THR OG1 : rot -46:sc= 0.866 USER MOD Single : A 20 SER OG : rot 180:sc= -0.397 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.19 USER MOD Single : A 29 SER OG : rot -150:sc= -0.902 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 31:sc= -4.24 USER MOD Single : A 40 ASN : amide:sc= -0.919! C(o=-0.92!,f=-6.1!) USER MOD Single : A 42 GLN : amide:sc=-0.00497 X(o=-0.005,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -5.41! C(o=-5.4!,f=-15!) USER MOD Single : A 50 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00113) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 30:sc= -1.27 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.481 X(o=-0.48,f=-0.055) USER MOD Single : A 67 HIS : no HD1:sc= -12.5! C(o=-12!,f=-14!) USER MOD Single : A 77 ASN : amide:sc= -0.48 X(o=-0.48,f=-0.39) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= -0.837 X(o=-0.84,f=-0.54) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.0188 K(o=-0.019,f=-1.7!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 66:sc= -1.07 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -114:sc= 2.13 (180deg=0.278) USER MOD Single : A 97 GLN : amide:sc= -2.56! C(o=-2.6!,f=-4.7!) USER MOD Single : A 100 ASN : amide:sc= -3.24! C(o=-3.2!,f=-10!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.101) USER MOD Single : A 104 MET CE :methyl -169:sc= 0 (180deg=-0.143) USER MOD Single : A 108 SER OG : rot -82:sc= 0.456 USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 115 THR OG1 : rot -119:sc= 0.777 USER MOD Single : A 117 LYS NZ :NH3+ -117:sc= -0.951 (180deg=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 178 N LEU A 16 -23.262 -5.079 -4.054 1.00 0.00 N ATOM 179 CA LEU A 16 -22.308 -5.622 -5.015 1.00 0.00 C ATOM 180 C LEU A 16 -20.904 -5.090 -4.748 1.00 0.00 C ATOM 181 O LEU A 16 -20.623 -3.911 -4.966 1.00 0.00 O ATOM 182 CB LEU A 16 -22.736 -5.272 -6.442 1.00 0.00 C ATOM 183 CG LEU A 16 -24.116 -5.771 -6.870 1.00 0.00 C ATOM 184 CD1 LEU A 16 -24.676 -4.901 -7.985 1.00 0.00 C ATOM 185 CD2 LEU A 16 -24.043 -7.225 -7.312 1.00 0.00 C ATOM 0 HA LEU A 16 -22.293 -6.706 -4.902 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -22.714 -4.188 -6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -21.995 -5.677 -7.132 1.00 0.00 H new ATOM 0 HG LEU A 16 -24.787 -5.705 -6.014 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -25.659 -5.271 -8.277 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -24.765 -3.873 -7.634 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -24.006 -4.935 -8.844 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -25.034 -7.564 -7.613 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -23.357 -7.315 -8.154 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -23.685 -7.839 -6.485 1.00 0.00 H new ATOM 197 N VAL A 17 -20.024 -5.968 -4.276 1.00 0.00 N ATOM 198 CA VAL A 17 -18.647 -5.587 -3.982 1.00 0.00 C ATOM 199 C VAL A 17 -18.002 -4.895 -5.177 1.00 0.00 C ATOM 200 O VAL A 17 -18.379 -5.109 -6.329 1.00 0.00 O ATOM 201 CB VAL A 17 -17.798 -6.812 -3.592 1.00 0.00 C ATOM 202 CG1 VAL A 17 -18.195 -7.319 -2.214 1.00 0.00 C ATOM 203 CG2 VAL A 17 -17.937 -7.910 -4.635 1.00 0.00 C ATOM 0 H VAL A 17 -20.240 -6.947 -4.089 1.00 0.00 H new ATOM 0 HA VAL A 17 -18.682 -4.895 -3.141 1.00 0.00 H new ATOM 0 HB VAL A 17 -16.751 -6.511 -3.554 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -17.585 -8.184 -1.955 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -18.038 -6.531 -1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -19.247 -7.605 -2.221 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -17.331 -8.768 -4.343 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -18.982 -8.212 -4.708 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -17.598 -7.538 -5.602 1.00 0.00 H new ATOM 213 N PRO A 18 -17.003 -4.044 -4.899 1.00 0.00 N ATOM 214 CA PRO A 18 -16.282 -3.302 -5.938 1.00 0.00 C ATOM 215 C PRO A 18 -15.402 -4.209 -6.792 1.00 0.00 C ATOM 216 O PRO A 18 -14.262 -4.504 -6.432 1.00 0.00 O ATOM 217 CB PRO A 18 -15.421 -2.320 -5.140 1.00 0.00 C ATOM 218 CG PRO A 18 -15.236 -2.970 -3.812 1.00 0.00 C ATOM 219 CD PRO A 18 -16.500 -3.740 -3.548 1.00 0.00 C ATOM 0 HA PRO A 18 -16.962 -2.820 -6.641 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.464 -2.143 -5.631 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.912 -1.352 -5.042 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.370 -3.632 -3.819 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -15.063 -2.226 -3.034 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.305 -4.648 -2.978 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -17.217 -3.152 -2.975 1.00 0.00 H new ATOM 227 N THR A 19 -15.939 -4.648 -7.927 1.00 0.00 N ATOM 228 CA THR A 19 -15.203 -5.521 -8.832 1.00 0.00 C ATOM 229 C THR A 19 -14.354 -4.713 -9.807 1.00 0.00 C ATOM 230 O THR A 19 -14.034 -5.179 -10.900 1.00 0.00 O ATOM 231 CB THR A 19 -16.154 -6.432 -9.630 1.00 0.00 C ATOM 232 OG1 THR A 19 -15.400 -7.393 -10.377 1.00 0.00 O ATOM 233 CG2 THR A 19 -17.020 -5.614 -10.576 1.00 0.00 C ATOM 0 H THR A 19 -16.881 -4.413 -8.240 1.00 0.00 H new ATOM 0 HA THR A 19 -14.552 -6.140 -8.214 1.00 0.00 H new ATOM 0 HB THR A 19 -16.803 -6.949 -8.924 1.00 0.00 H new ATOM 0 HG1 THR A 19 -14.652 -6.945 -10.825 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.683 -6.279 -11.129 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.615 -4.903 -10.002 1.00 0.00 H new ATOM 0 HG23 THR A 19 -16.383 -5.073 -11.276 1.00 0.00 H new ATOM 241 N SER A 20 -13.992 -3.499 -9.404 1.00 0.00 N ATOM 242 CA SER A 20 -13.183 -2.624 -10.245 1.00 0.00 C ATOM 243 C SER A 20 -11.968 -2.108 -9.480 1.00 0.00 C ATOM 244 O SER A 20 -12.045 -1.766 -8.299 1.00 0.00 O ATOM 245 CB SER A 20 -14.021 -1.447 -10.748 1.00 0.00 C ATOM 246 OG SER A 20 -13.284 -0.649 -11.658 1.00 0.00 O ATOM 0 H SER A 20 -14.246 -3.099 -8.501 1.00 0.00 H new ATOM 0 HA SER A 20 -12.834 -3.203 -11.100 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.923 -1.820 -11.234 1.00 0.00 H new ATOM 0 HB3 SER A 20 -14.343 -0.838 -9.903 1.00 0.00 H new ATOM 0 HG SER A 20 -13.842 0.095 -11.966 1.00 0.00 H new ATOM 252 N PRO A 21 -10.818 -2.050 -10.168 1.00 0.00 N ATOM 253 CA PRO A 21 -9.564 -1.576 -9.574 1.00 0.00 C ATOM 254 C PRO A 21 -9.585 -0.078 -9.292 1.00 0.00 C ATOM 255 O PRO A 21 -10.379 0.674 -9.860 1.00 0.00 O ATOM 256 CB PRO A 21 -8.519 -1.904 -10.644 1.00 0.00 C ATOM 257 CG PRO A 21 -9.282 -1.929 -11.923 1.00 0.00 C ATOM 258 CD PRO A 21 -10.653 -2.441 -11.578 1.00 0.00 C ATOM 0 HA PRO A 21 -9.368 -2.043 -8.609 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.729 -1.154 -10.669 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.041 -2.864 -10.449 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.337 -0.934 -12.364 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.797 -2.575 -12.654 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.420 -1.995 -12.211 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.723 -3.521 -11.706 1.00 0.00 H new ATOM 266 N PRO A 22 -8.694 0.369 -8.395 1.00 0.00 N ATOM 267 CA PRO A 22 -8.590 1.782 -8.019 1.00 0.00 C ATOM 268 C PRO A 22 -8.034 2.644 -9.147 1.00 0.00 C ATOM 269 O PRO A 22 -7.581 2.129 -10.170 1.00 0.00 O ATOM 270 CB PRO A 22 -7.622 1.763 -6.833 1.00 0.00 C ATOM 271 CG PRO A 22 -6.806 0.533 -7.031 1.00 0.00 C ATOM 272 CD PRO A 22 -7.718 -0.470 -7.680 1.00 0.00 C ATOM 0 HA PRO A 22 -9.563 2.214 -7.786 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.996 2.655 -6.818 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -8.158 1.734 -5.884 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.940 0.737 -7.660 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -6.428 0.158 -6.080 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.175 -1.125 -8.362 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -8.202 -1.109 -6.942 1.00 0.00 H new ATOM 280 N LYS A 23 -8.069 3.958 -8.955 1.00 0.00 N ATOM 281 CA LYS A 23 -7.567 4.892 -9.956 1.00 0.00 C ATOM 282 C LYS A 23 -6.531 5.833 -9.350 1.00 0.00 C ATOM 283 O LYS A 23 -6.202 5.732 -8.167 1.00 0.00 O ATOM 284 CB LYS A 23 -8.720 5.702 -10.552 1.00 0.00 C ATOM 285 CG LYS A 23 -9.956 4.871 -10.852 1.00 0.00 C ATOM 286 CD LYS A 23 -10.997 5.675 -11.613 1.00 0.00 C ATOM 287 CE LYS A 23 -10.625 5.819 -13.081 1.00 0.00 C ATOM 288 NZ LYS A 23 -11.310 6.980 -13.715 1.00 0.00 N ATOM 0 H LYS A 23 -8.440 4.401 -8.114 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.090 4.315 -10.748 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.988 6.500 -9.860 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.381 6.179 -11.472 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.674 3.995 -11.436 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.386 4.507 -9.919 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.968 5.187 -11.529 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.096 6.663 -11.163 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.546 5.940 -13.172 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.889 4.906 -13.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.031 7.044 -14.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.340 6.853 -13.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.038 7.855 -13.223 1.00 0.00 H new ATOM 302 N ASP A 24 -6.020 6.748 -10.166 1.00 0.00 N ATOM 303 CA ASP A 24 -5.023 7.709 -9.709 1.00 0.00 C ATOM 304 C ASP A 24 -3.919 7.013 -8.919 1.00 0.00 C ATOM 305 O ASP A 24 -3.399 7.559 -7.946 1.00 0.00 O ATOM 306 CB ASP A 24 -5.680 8.789 -8.849 1.00 0.00 C ATOM 307 CG ASP A 24 -6.813 9.493 -9.570 1.00 0.00 C ATOM 308 OD1 ASP A 24 -7.817 8.824 -9.894 1.00 0.00 O ATOM 309 OD2 ASP A 24 -6.697 10.713 -9.809 1.00 0.00 O ATOM 0 H ASP A 24 -6.280 6.845 -11.148 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.577 8.177 -10.587 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.061 8.338 -7.933 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.929 9.522 -8.555 1.00 0.00 H new ATOM 314 N VAL A 25 -3.568 5.802 -9.342 1.00 0.00 N ATOM 315 CA VAL A 25 -2.527 5.031 -8.673 1.00 0.00 C ATOM 316 C VAL A 25 -1.154 5.655 -8.893 1.00 0.00 C ATOM 317 O VAL A 25 -0.616 5.627 -10.001 1.00 0.00 O ATOM 318 CB VAL A 25 -2.502 3.573 -9.170 1.00 0.00 C ATOM 319 CG1 VAL A 25 -1.343 2.815 -8.542 1.00 0.00 C ATOM 320 CG2 VAL A 25 -3.825 2.885 -8.869 1.00 0.00 C ATOM 0 H VAL A 25 -3.989 5.334 -10.145 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.761 5.040 -7.608 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.359 3.578 -10.251 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.341 1.787 -8.905 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.404 3.297 -8.813 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.452 2.817 -7.457 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.790 1.856 -9.227 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.001 2.889 -7.793 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.634 3.416 -9.371 1.00 0.00 H new ATOM 330 N THR A 26 -0.589 6.220 -7.830 1.00 0.00 N ATOM 331 CA THR A 26 0.722 6.852 -7.906 1.00 0.00 C ATOM 332 C THR A 26 1.565 6.519 -6.681 1.00 0.00 C ATOM 333 O THR A 26 1.035 6.305 -5.590 1.00 0.00 O ATOM 334 CB THR A 26 0.601 8.382 -8.032 1.00 0.00 C ATOM 335 OG1 THR A 26 -0.267 8.891 -7.012 1.00 0.00 O ATOM 336 CG2 THR A 26 0.065 8.772 -9.401 1.00 0.00 C ATOM 0 H THR A 26 -1.020 6.253 -6.906 1.00 0.00 H new ATOM 0 HA THR A 26 1.211 6.459 -8.797 1.00 0.00 H new ATOM 0 HB THR A 26 1.595 8.813 -7.912 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.337 9.865 -7.098 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.012 9.857 -9.466 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.743 8.409 -10.174 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.921 8.329 -9.545 1.00 0.00 H new ATOM 344 N VAL A 27 2.880 6.478 -6.867 1.00 0.00 N ATOM 345 CA VAL A 27 3.797 6.173 -5.775 1.00 0.00 C ATOM 346 C VAL A 27 4.954 7.165 -5.736 1.00 0.00 C ATOM 347 O VAL A 27 5.802 7.182 -6.628 1.00 0.00 O ATOM 348 CB VAL A 27 4.363 4.745 -5.900 1.00 0.00 C ATOM 349 CG1 VAL A 27 5.336 4.456 -4.766 1.00 0.00 C ATOM 350 CG2 VAL A 27 3.235 3.725 -5.919 1.00 0.00 C ATOM 0 H VAL A 27 3.335 6.652 -7.763 1.00 0.00 H new ATOM 0 HA VAL A 27 3.225 6.250 -4.850 1.00 0.00 H new ATOM 0 HB VAL A 27 4.906 4.669 -6.842 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.726 3.443 -4.870 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.161 5.168 -4.804 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.819 4.549 -3.811 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.653 2.722 -6.008 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.662 3.799 -4.995 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.581 3.922 -6.768 1.00 0.00 H new ATOM 360 N VAL A 28 4.984 7.991 -4.695 1.00 0.00 N ATOM 361 CA VAL A 28 6.038 8.985 -4.538 1.00 0.00 C ATOM 362 C VAL A 28 7.036 8.564 -3.465 1.00 0.00 C ATOM 363 O VAL A 28 6.919 7.485 -2.883 1.00 0.00 O ATOM 364 CB VAL A 28 5.458 10.364 -4.171 1.00 0.00 C ATOM 365 CG1 VAL A 28 4.682 10.946 -5.342 1.00 0.00 C ATOM 366 CG2 VAL A 28 4.577 10.260 -2.935 1.00 0.00 C ATOM 0 H VAL A 28 4.290 7.991 -3.948 1.00 0.00 H new ATOM 0 HA VAL A 28 6.550 9.057 -5.498 1.00 0.00 H new ATOM 0 HB VAL A 28 6.284 11.037 -3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.280 11.920 -5.064 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.346 11.059 -6.199 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.863 10.277 -5.604 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.176 11.244 -2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.755 9.571 -3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.168 9.890 -2.097 1.00 0.00 H new ATOM 376 N SER A 29 8.017 9.422 -3.207 1.00 0.00 N ATOM 377 CA SER A 29 9.039 9.138 -2.206 1.00 0.00 C ATOM 378 C SER A 29 9.146 10.280 -1.200 1.00 0.00 C ATOM 379 O SER A 29 8.833 11.429 -1.511 1.00 0.00 O ATOM 380 CB SER A 29 10.393 8.907 -2.879 1.00 0.00 C ATOM 381 OG SER A 29 11.455 9.057 -1.953 1.00 0.00 O ATOM 0 H SER A 29 8.126 10.320 -3.677 1.00 0.00 H new ATOM 0 HA SER A 29 8.748 8.233 -1.673 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.422 7.907 -3.311 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.520 9.613 -3.700 1.00 0.00 H new ATOM 0 HG SER A 29 12.254 9.377 -2.421 1.00 0.00 H new ATOM 387 N LYS A 30 9.591 9.955 0.009 1.00 0.00 N ATOM 388 CA LYS A 30 9.742 10.951 1.063 1.00 0.00 C ATOM 389 C LYS A 30 11.170 11.488 1.103 1.00 0.00 C ATOM 390 O LYS A 30 12.098 10.779 1.489 1.00 0.00 O ATOM 391 CB LYS A 30 9.375 10.348 2.420 1.00 0.00 C ATOM 392 CG LYS A 30 9.144 11.386 3.505 1.00 0.00 C ATOM 393 CD LYS A 30 8.179 10.880 4.564 1.00 0.00 C ATOM 394 CE LYS A 30 7.509 12.030 5.302 1.00 0.00 C ATOM 395 NZ LYS A 30 6.961 11.600 6.618 1.00 0.00 N ATOM 0 H LYS A 30 9.854 9.008 0.283 1.00 0.00 H new ATOM 0 HA LYS A 30 9.067 11.778 0.846 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.474 9.745 2.308 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.172 9.675 2.737 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.095 11.644 3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.750 12.299 3.059 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.419 10.254 4.096 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.715 10.252 5.276 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.230 12.833 5.454 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.704 12.436 4.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.513 12.412 7.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.254 10.851 6.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.732 11.237 7.213 1.00 0.00 H new ATOM 409 N GLU A 31 11.336 12.745 0.703 1.00 0.00 N ATOM 410 CA GLU A 31 12.650 13.376 0.695 1.00 0.00 C ATOM 411 C GLU A 31 13.270 13.361 2.089 1.00 0.00 C ATOM 412 O GLU A 31 14.471 13.145 2.245 1.00 0.00 O ATOM 413 CB GLU A 31 12.547 14.815 0.187 1.00 0.00 C ATOM 414 CG GLU A 31 13.895 15.475 -0.051 1.00 0.00 C ATOM 415 CD GLU A 31 13.766 16.911 -0.521 1.00 0.00 C ATOM 416 OE1 GLU A 31 13.019 17.681 0.119 1.00 0.00 O ATOM 417 OE2 GLU A 31 14.413 17.266 -1.529 1.00 0.00 O ATOM 0 H GLU A 31 10.577 13.346 0.381 1.00 0.00 H new ATOM 0 HA GLU A 31 13.293 12.807 0.024 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.979 14.823 -0.743 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.985 15.407 0.909 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.476 15.449 0.871 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.450 14.902 -0.794 1.00 0.00 H new ATOM 424 N GLY A 32 12.440 13.592 3.102 1.00 0.00 N ATOM 425 CA GLY A 32 12.923 13.601 4.470 1.00 0.00 C ATOM 426 C GLY A 32 13.308 12.219 4.959 1.00 0.00 C ATOM 427 O GLY A 32 14.033 12.080 5.945 1.00 0.00 O ATOM 0 H GLY A 32 11.441 13.773 2.999 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.787 14.262 4.543 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.152 14.012 5.122 1.00 0.00 H new ATOM 431 N LYS A 33 12.821 11.193 4.269 1.00 0.00 N ATOM 432 CA LYS A 33 13.118 9.814 4.638 1.00 0.00 C ATOM 433 C LYS A 33 13.197 8.925 3.400 1.00 0.00 C ATOM 434 O LYS A 33 12.187 8.590 2.781 1.00 0.00 O ATOM 435 CB LYS A 33 12.049 9.279 5.594 1.00 0.00 C ATOM 436 CG LYS A 33 12.230 7.814 5.951 1.00 0.00 C ATOM 437 CD LYS A 33 13.556 7.570 6.651 1.00 0.00 C ATOM 438 CE LYS A 33 13.489 6.356 7.565 1.00 0.00 C ATOM 439 NZ LYS A 33 12.987 6.710 8.922 1.00 0.00 N ATOM 0 H LYS A 33 12.219 11.291 3.451 1.00 0.00 H new ATOM 0 HA LYS A 33 14.086 9.798 5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.062 9.871 6.509 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.067 9.415 5.141 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.412 7.492 6.596 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.179 7.209 5.046 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.340 7.424 5.908 1.00 0.00 H new ATOM 0 HD3 LYS A 33 13.829 8.450 7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.837 5.603 7.122 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.480 5.910 7.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.956 5.856 9.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.623 7.409 9.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.031 7.112 8.845 1.00 0.00 H new ATOM 453 N PRO A 34 14.425 8.532 3.031 1.00 0.00 N ATOM 454 CA PRO A 34 14.665 7.675 1.866 1.00 0.00 C ATOM 455 C PRO A 34 14.168 6.250 2.082 1.00 0.00 C ATOM 456 O PRO A 34 13.886 5.528 1.125 1.00 0.00 O ATOM 457 CB PRO A 34 16.189 7.694 1.720 1.00 0.00 C ATOM 458 CG PRO A 34 16.697 7.992 3.089 1.00 0.00 C ATOM 459 CD PRO A 34 15.674 8.893 3.723 1.00 0.00 C ATOM 0 HA PRO A 34 14.134 8.030 0.983 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.564 6.737 1.358 1.00 0.00 H new ATOM 0 HB3 PRO A 34 16.509 8.452 1.005 1.00 0.00 H new ATOM 0 HG2 PRO A 34 16.822 7.076 3.667 1.00 0.00 H new ATOM 0 HG3 PRO A 34 17.672 8.478 3.046 1.00 0.00 H new ATOM 0 HD2 PRO A 34 15.601 8.725 4.797 1.00 0.00 H new ATOM 0 HD3 PRO A 34 15.922 9.945 3.581 1.00 0.00 H new ATOM 467 N LYS A 35 14.061 5.851 3.345 1.00 0.00 N ATOM 468 CA LYS A 35 13.596 4.512 3.687 1.00 0.00 C ATOM 469 C LYS A 35 12.074 4.474 3.787 1.00 0.00 C ATOM 470 O LYS A 35 11.489 3.444 4.123 1.00 0.00 O ATOM 471 CB LYS A 35 14.215 4.058 5.011 1.00 0.00 C ATOM 472 CG LYS A 35 15.669 3.634 4.888 1.00 0.00 C ATOM 473 CD LYS A 35 16.172 2.990 6.169 1.00 0.00 C ATOM 474 CE LYS A 35 17.665 2.709 6.102 1.00 0.00 C ATOM 475 NZ LYS A 35 17.983 1.623 5.134 1.00 0.00 N ATOM 0 H LYS A 35 14.290 6.436 4.149 1.00 0.00 H new ATOM 0 HA LYS A 35 13.908 3.832 2.894 1.00 0.00 H new ATOM 0 HB2 LYS A 35 14.142 4.870 5.734 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.634 3.225 5.407 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.776 2.932 4.061 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.283 4.502 4.651 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.962 3.646 7.014 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.633 2.059 6.346 1.00 0.00 H new ATOM 0 HE2 LYS A 35 18.193 3.618 5.814 1.00 0.00 H new ATOM 0 HE3 LYS A 35 18.027 2.430 7.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 19.010 1.462 5.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.500 0.748 5.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.661 1.899 4.184 1.00 0.00 H new ATOM 489 N THR A 36 11.438 5.603 3.490 1.00 0.00 N ATOM 490 CA THR A 36 9.985 5.699 3.546 1.00 0.00 C ATOM 491 C THR A 36 9.419 6.243 2.240 1.00 0.00 C ATOM 492 O THR A 36 10.097 6.971 1.514 1.00 0.00 O ATOM 493 CB THR A 36 9.525 6.601 4.707 1.00 0.00 C ATOM 494 OG1 THR A 36 9.810 5.970 5.960 1.00 0.00 O ATOM 495 CG2 THR A 36 8.035 6.893 4.608 1.00 0.00 C ATOM 0 H THR A 36 11.907 6.464 3.208 1.00 0.00 H new ATOM 0 HA THR A 36 9.608 4.689 3.709 1.00 0.00 H new ATOM 0 HB THR A 36 10.069 7.543 4.643 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.611 5.412 5.871 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.733 7.531 5.438 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.825 7.400 3.666 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.477 5.957 4.649 1.00 0.00 H new ATOM 503 N ILE A 37 8.173 5.887 1.946 1.00 0.00 N ATOM 504 CA ILE A 37 7.516 6.342 0.727 1.00 0.00 C ATOM 505 C ILE A 37 6.036 6.619 0.970 1.00 0.00 C ATOM 506 O ILE A 37 5.471 6.188 1.976 1.00 0.00 O ATOM 507 CB ILE A 37 7.654 5.308 -0.407 1.00 0.00 C ATOM 508 CG1 ILE A 37 6.956 4.002 -0.022 1.00 0.00 C ATOM 509 CG2 ILE A 37 9.122 5.058 -0.720 1.00 0.00 C ATOM 510 CD1 ILE A 37 6.463 3.208 -1.212 1.00 0.00 C ATOM 0 H ILE A 37 7.598 5.285 2.535 1.00 0.00 H new ATOM 0 HA ILE A 37 8.012 7.266 0.428 1.00 0.00 H new ATOM 0 HB ILE A 37 7.175 5.705 -1.302 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.646 3.386 0.555 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.111 4.229 0.629 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.203 4.325 -1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.592 5.991 -1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.624 4.678 0.170 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.979 2.295 -0.865 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.748 3.806 -1.777 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.307 2.950 -1.852 1.00 0.00 H new ATOM 522 N ILE A 38 5.414 7.337 0.042 1.00 0.00 N ATOM 523 CA ILE A 38 3.999 7.669 0.154 1.00 0.00 C ATOM 524 C ILE A 38 3.234 7.242 -1.094 1.00 0.00 C ATOM 525 O ILE A 38 3.558 7.657 -2.207 1.00 0.00 O ATOM 526 CB ILE A 38 3.791 9.178 0.379 1.00 0.00 C ATOM 527 CG1 ILE A 38 4.580 9.647 1.603 1.00 0.00 C ATOM 528 CG2 ILE A 38 2.311 9.489 0.546 1.00 0.00 C ATOM 529 CD1 ILE A 38 6.031 9.953 1.305 1.00 0.00 C ATOM 0 H ILE A 38 5.867 7.700 -0.796 1.00 0.00 H new ATOM 0 HA ILE A 38 3.614 7.125 1.017 1.00 0.00 H new ATOM 0 HB ILE A 38 4.159 9.715 -0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.105 10.539 2.011 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.530 8.878 2.374 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.180 10.559 0.704 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.772 9.186 -0.352 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.919 8.945 1.405 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.529 10.280 2.218 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.521 9.057 0.925 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.090 10.744 0.557 1.00 0.00 H new ATOM 541 N VAL A 39 2.215 6.411 -0.901 1.00 0.00 N ATOM 542 CA VAL A 39 1.400 5.929 -2.010 1.00 0.00 C ATOM 543 C VAL A 39 0.055 6.644 -2.055 1.00 0.00 C ATOM 544 O VAL A 39 -0.735 6.561 -1.116 1.00 0.00 O ATOM 545 CB VAL A 39 1.159 4.411 -1.912 1.00 0.00 C ATOM 546 CG1 VAL A 39 0.280 3.935 -3.058 1.00 0.00 C ATOM 547 CG2 VAL A 39 2.483 3.661 -1.898 1.00 0.00 C ATOM 0 H VAL A 39 1.934 6.057 0.013 1.00 0.00 H new ATOM 0 HA VAL A 39 1.953 6.143 -2.925 1.00 0.00 H new ATOM 0 HB VAL A 39 0.640 4.203 -0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.121 2.860 -2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.681 4.449 -3.017 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.769 4.155 -4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.294 2.590 -1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.031 3.874 -2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.074 3.982 -1.040 1.00 0.00 H new ATOM 557 N ASN A 40 -0.199 7.347 -3.154 1.00 0.00 N ATOM 558 CA ASN A 40 -1.450 8.078 -3.322 1.00 0.00 C ATOM 559 C ASN A 40 -2.355 7.382 -4.334 1.00 0.00 C ATOM 560 O ASN A 40 -1.879 6.778 -5.295 1.00 0.00 O ATOM 561 CB ASN A 40 -1.170 9.513 -3.774 1.00 0.00 C ATOM 562 CG ASN A 40 0.160 10.032 -3.261 1.00 0.00 C ATOM 563 OD1 ASN A 40 1.205 9.422 -3.485 1.00 0.00 O ATOM 564 ND2 ASN A 40 0.125 11.163 -2.567 1.00 0.00 N ATOM 0 H ASN A 40 0.445 7.426 -3.941 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.961 8.100 -2.359 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.178 9.556 -4.863 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.971 10.164 -3.423 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.988 11.560 -2.195 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.765 11.635 -2.406 1.00 0.00 H new ATOM 571 N TRP A 41 -3.661 7.472 -4.111 1.00 0.00 N ATOM 572 CA TRP A 41 -4.633 6.851 -5.003 1.00 0.00 C ATOM 573 C TRP A 41 -6.026 7.429 -4.778 1.00 0.00 C ATOM 574 O TRP A 41 -6.203 8.348 -3.980 1.00 0.00 O ATOM 575 CB TRP A 41 -4.655 5.336 -4.792 1.00 0.00 C ATOM 576 CG TRP A 41 -5.250 4.928 -3.478 1.00 0.00 C ATOM 577 CD1 TRP A 41 -6.571 4.714 -3.208 1.00 0.00 C ATOM 578 CD2 TRP A 41 -4.544 4.687 -2.256 1.00 0.00 C ATOM 579 NE1 TRP A 41 -6.729 4.355 -1.891 1.00 0.00 N ATOM 580 CE2 TRP A 41 -5.501 4.330 -1.286 1.00 0.00 C ATOM 581 CE3 TRP A 41 -3.197 4.736 -1.887 1.00 0.00 C ATOM 582 CZ2 TRP A 41 -5.151 4.026 0.027 1.00 0.00 C ATOM 583 CZ3 TRP A 41 -2.852 4.435 -0.584 1.00 0.00 C ATOM 584 CH2 TRP A 41 -3.825 4.082 0.361 1.00 0.00 C ATOM 0 H TRP A 41 -4.071 7.969 -3.320 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.334 7.063 -6.030 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -5.222 4.872 -5.599 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.637 4.953 -4.856 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.374 4.812 -3.924 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.617 4.142 -1.438 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.439 5.005 -2.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.900 3.755 0.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.814 4.472 -0.288 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.523 3.850 1.372 1.00 0.00 H new ATOM 595 N GLN A 42 -7.010 6.883 -5.485 1.00 0.00 N ATOM 596 CA GLN A 42 -8.387 7.346 -5.361 1.00 0.00 C ATOM 597 C GLN A 42 -9.369 6.200 -5.579 1.00 0.00 C ATOM 598 O GLN A 42 -9.030 5.159 -6.143 1.00 0.00 O ATOM 599 CB GLN A 42 -8.663 8.467 -6.364 1.00 0.00 C ATOM 600 CG GLN A 42 -8.372 9.856 -5.820 1.00 0.00 C ATOM 601 CD GLN A 42 -9.250 10.923 -6.443 1.00 0.00 C ATOM 602 OE1 GLN A 42 -8.894 11.521 -7.459 1.00 0.00 O ATOM 603 NE2 GLN A 42 -10.406 11.168 -5.837 1.00 0.00 N ATOM 0 H GLN A 42 -6.879 6.120 -6.149 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.524 7.730 -4.350 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.059 8.302 -7.256 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.707 8.418 -6.672 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.517 9.857 -4.740 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.325 10.101 -6.001 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.662 10.649 -4.997 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -11.038 11.875 -6.212 1.00 0.00 H new ATOM 612 N PRO A 43 -10.615 6.392 -5.122 1.00 0.00 N ATOM 613 CA PRO A 43 -11.672 5.385 -5.256 1.00 0.00 C ATOM 614 C PRO A 43 -12.124 5.208 -6.701 1.00 0.00 C ATOM 615 O PRO A 43 -12.091 6.139 -7.506 1.00 0.00 O ATOM 616 CB PRO A 43 -12.811 5.950 -4.405 1.00 0.00 C ATOM 617 CG PRO A 43 -12.580 7.422 -4.393 1.00 0.00 C ATOM 618 CD PRO A 43 -11.089 7.608 -4.440 1.00 0.00 C ATOM 0 HA PRO A 43 -11.336 4.397 -4.940 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.783 5.705 -4.832 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.793 5.538 -3.396 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.060 7.899 -5.248 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.002 7.876 -3.496 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.814 8.509 -4.988 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.664 7.700 -3.441 1.00 0.00 H new ATOM 626 N PRO A 44 -12.556 3.984 -7.041 1.00 0.00 N ATOM 627 CA PRO A 44 -13.025 3.657 -8.391 1.00 0.00 C ATOM 628 C PRO A 44 -14.354 4.326 -8.722 1.00 0.00 C ATOM 629 O PRO A 44 -15.108 4.707 -7.826 1.00 0.00 O ATOM 630 CB PRO A 44 -13.187 2.136 -8.351 1.00 0.00 C ATOM 631 CG PRO A 44 -13.417 1.817 -6.914 1.00 0.00 C ATOM 632 CD PRO A 44 -12.622 2.827 -6.134 1.00 0.00 C ATOM 0 HA PRO A 44 -12.334 4.006 -9.158 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.025 1.811 -8.968 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.298 1.633 -8.731 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.477 1.878 -6.665 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.093 0.802 -6.683 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.109 3.082 -5.193 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.628 2.453 -5.887 1.00 0.00 H new ATOM 640 N SER A 45 -14.636 4.466 -10.013 1.00 0.00 N ATOM 641 CA SER A 45 -15.874 5.093 -10.462 1.00 0.00 C ATOM 642 C SER A 45 -17.075 4.202 -10.157 1.00 0.00 C ATOM 643 O SER A 45 -18.148 4.690 -9.802 1.00 0.00 O ATOM 644 CB SER A 45 -15.809 5.385 -11.962 1.00 0.00 C ATOM 645 OG SER A 45 -16.822 6.297 -12.349 1.00 0.00 O ATOM 0 H SER A 45 -14.024 4.154 -10.767 1.00 0.00 H new ATOM 0 HA SER A 45 -15.993 6.032 -9.922 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.831 5.795 -12.214 1.00 0.00 H new ATOM 0 HB3 SER A 45 -15.919 4.456 -12.521 1.00 0.00 H new ATOM 0 HG SER A 45 -16.758 6.468 -13.312 1.00 0.00 H new ATOM 651 N GLU A 46 -16.885 2.894 -10.299 1.00 0.00 N ATOM 652 CA GLU A 46 -17.953 1.935 -10.041 1.00 0.00 C ATOM 653 C GLU A 46 -17.978 1.533 -8.569 1.00 0.00 C ATOM 654 O GLU A 46 -17.594 0.419 -8.213 1.00 0.00 O ATOM 655 CB GLU A 46 -17.777 0.694 -10.918 1.00 0.00 C ATOM 656 CG GLU A 46 -18.443 0.811 -12.278 1.00 0.00 C ATOM 657 CD GLU A 46 -19.922 1.131 -12.178 1.00 0.00 C ATOM 658 OE1 GLU A 46 -20.612 0.494 -11.355 1.00 0.00 O ATOM 659 OE2 GLU A 46 -20.390 2.018 -12.923 1.00 0.00 O ATOM 0 H GLU A 46 -16.002 2.474 -10.591 1.00 0.00 H new ATOM 0 HA GLU A 46 -18.902 2.411 -10.286 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -16.712 0.507 -11.059 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -18.186 -0.171 -10.396 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -17.945 1.589 -12.856 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -18.313 -0.124 -12.823 1.00 0.00 H new ATOM 666 N ALA A 47 -18.431 2.448 -7.719 1.00 0.00 N ATOM 667 CA ALA A 47 -18.507 2.189 -6.286 1.00 0.00 C ATOM 668 C ALA A 47 -19.810 1.484 -5.925 1.00 0.00 C ATOM 669 O ALA A 47 -20.555 1.941 -5.059 1.00 0.00 O ATOM 670 CB ALA A 47 -18.374 3.488 -5.507 1.00 0.00 C ATOM 0 H ALA A 47 -18.751 3.376 -7.997 1.00 0.00 H new ATOM 0 HA ALA A 47 -17.681 1.531 -6.016 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -18.433 3.279 -4.439 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -17.414 3.952 -5.734 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -19.180 4.166 -5.789 1.00 0.00 H new ATOM 676 N ASN A 48 -20.080 0.368 -6.595 1.00 0.00 N ATOM 677 CA ASN A 48 -21.295 -0.399 -6.344 1.00 0.00 C ATOM 678 C ASN A 48 -21.634 -0.411 -4.857 1.00 0.00 C ATOM 679 O ASN A 48 -22.798 -0.520 -4.476 1.00 0.00 O ATOM 680 CB ASN A 48 -21.131 -1.833 -6.853 1.00 0.00 C ATOM 681 CG ASN A 48 -19.690 -2.302 -6.806 1.00 0.00 C ATOM 682 OD1 ASN A 48 -19.052 -2.279 -5.753 1.00 0.00 O ATOM 683 ND2 ASN A 48 -19.170 -2.731 -7.950 1.00 0.00 N ATOM 0 H ASN A 48 -19.474 -0.025 -7.315 1.00 0.00 H new ATOM 0 HA ASN A 48 -22.114 0.079 -6.881 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -21.748 -2.502 -6.252 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -21.497 -1.896 -7.878 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -18.205 -3.059 -7.980 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -19.736 -2.732 -8.799 1.00 0.00 H new ATOM 690 N GLY A 49 -20.606 -0.297 -4.020 1.00 0.00 N ATOM 691 CA GLY A 49 -20.816 -0.296 -2.584 1.00 0.00 C ATOM 692 C GLY A 49 -19.958 0.732 -1.874 1.00 0.00 C ATOM 693 O GLY A 49 -18.841 1.024 -2.303 1.00 0.00 O ATOM 0 H GLY A 49 -19.633 -0.205 -4.311 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -21.867 -0.096 -2.374 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -20.595 -1.287 -2.187 1.00 0.00 H new ATOM 697 N LYS A 50 -20.481 1.286 -0.785 1.00 0.00 N ATOM 698 CA LYS A 50 -19.756 2.288 -0.013 1.00 0.00 C ATOM 699 C LYS A 50 -18.372 1.779 0.377 1.00 0.00 C ATOM 700 O LYS A 50 -18.212 0.620 0.760 1.00 0.00 O ATOM 701 CB LYS A 50 -20.546 2.662 1.244 1.00 0.00 C ATOM 702 CG LYS A 50 -19.872 3.727 2.091 1.00 0.00 C ATOM 703 CD LYS A 50 -20.774 4.195 3.221 1.00 0.00 C ATOM 704 CE LYS A 50 -19.974 4.833 4.346 1.00 0.00 C ATOM 705 NZ LYS A 50 -19.322 3.811 5.211 1.00 0.00 N ATOM 0 H LYS A 50 -21.405 1.058 -0.417 1.00 0.00 H new ATOM 0 HA LYS A 50 -19.635 3.174 -0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -21.534 3.015 0.950 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -20.694 1.768 1.850 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.945 3.331 2.505 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -19.604 4.577 1.463 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -21.498 4.913 2.836 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -21.340 3.349 3.610 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -19.214 5.490 3.924 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -20.632 5.455 4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -18.800 4.285 5.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -20.048 3.189 5.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -18.662 3.244 4.641 1.00 0.00 H new ATOM 719 N ILE A 51 -17.376 2.653 0.277 1.00 0.00 N ATOM 720 CA ILE A 51 -16.006 2.292 0.621 1.00 0.00 C ATOM 721 C ILE A 51 -15.715 2.578 2.090 1.00 0.00 C ATOM 722 O ILE A 51 -16.206 3.557 2.654 1.00 0.00 O ATOM 723 CB ILE A 51 -14.988 3.052 -0.250 1.00 0.00 C ATOM 724 CG1 ILE A 51 -15.367 2.944 -1.728 1.00 0.00 C ATOM 725 CG2 ILE A 51 -13.585 2.514 -0.016 1.00 0.00 C ATOM 726 CD1 ILE A 51 -15.287 1.534 -2.271 1.00 0.00 C ATOM 0 H ILE A 51 -17.492 3.616 -0.039 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.905 1.223 0.434 1.00 0.00 H new ATOM 0 HB ILE A 51 -15.004 4.104 0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -16.381 3.320 -1.863 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.708 3.587 -2.312 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.877 3.061 -0.639 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.318 2.639 1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -13.553 1.456 -0.275 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -15.569 1.533 -3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.268 1.162 -2.168 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.966 0.890 -1.713 1.00 0.00 H new ATOM 738 N THR A 52 -14.911 1.717 2.707 1.00 0.00 N ATOM 739 CA THR A 52 -14.554 1.876 4.110 1.00 0.00 C ATOM 740 C THR A 52 -13.044 2.003 4.282 1.00 0.00 C ATOM 741 O THR A 52 -12.568 2.659 5.207 1.00 0.00 O ATOM 742 CB THR A 52 -15.058 0.692 4.957 1.00 0.00 C ATOM 743 OG1 THR A 52 -14.557 -0.539 4.423 1.00 0.00 O ATOM 744 CG2 THR A 52 -16.578 0.657 4.987 1.00 0.00 C ATOM 0 H THR A 52 -14.495 0.902 2.256 1.00 0.00 H new ATOM 0 HA THR A 52 -15.035 2.791 4.456 1.00 0.00 H new ATOM 0 HB THR A 52 -14.694 0.821 5.976 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.880 -1.287 4.967 1.00 0.00 H new ATOM 0 HG21 THR A 52 -16.911 -0.187 5.591 1.00 0.00 H new ATOM 0 HG22 THR A 52 -16.955 1.584 5.420 1.00 0.00 H new ATOM 0 HG23 THR A 52 -16.960 0.550 3.972 1.00 0.00 H new ATOM 752 N GLY A 53 -12.296 1.370 3.383 1.00 0.00 N ATOM 753 CA GLY A 53 -10.847 1.426 3.453 1.00 0.00 C ATOM 754 C GLY A 53 -10.184 0.769 2.259 1.00 0.00 C ATOM 755 O GLY A 53 -10.835 0.496 1.251 1.00 0.00 O ATOM 0 H GLY A 53 -12.667 0.820 2.608 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.529 2.467 3.514 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.511 0.936 4.367 1.00 0.00 H new ATOM 759 N TYR A 54 -8.884 0.517 2.371 1.00 0.00 N ATOM 760 CA TYR A 54 -8.131 -0.108 1.290 1.00 0.00 C ATOM 761 C TYR A 54 -6.997 -0.967 1.842 1.00 0.00 C ATOM 762 O TYR A 54 -6.618 -0.841 3.007 1.00 0.00 O ATOM 763 CB TYR A 54 -7.567 0.959 0.351 1.00 0.00 C ATOM 764 CG TYR A 54 -8.629 1.813 -0.304 1.00 0.00 C ATOM 765 CD1 TYR A 54 -9.228 2.861 0.383 1.00 0.00 C ATOM 766 CD2 TYR A 54 -9.034 1.571 -1.611 1.00 0.00 C ATOM 767 CE1 TYR A 54 -10.199 3.643 -0.211 1.00 0.00 C ATOM 768 CE2 TYR A 54 -10.004 2.348 -2.214 1.00 0.00 C ATOM 769 CZ TYR A 54 -10.584 3.382 -1.510 1.00 0.00 C ATOM 770 OH TYR A 54 -11.550 4.159 -2.106 1.00 0.00 O ATOM 0 H TYR A 54 -8.330 0.736 3.199 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.811 -0.751 0.732 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.890 1.603 0.912 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.975 0.472 -0.424 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.929 3.068 1.400 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.583 0.761 -2.165 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.654 4.454 0.338 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.306 2.147 -3.231 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.518 5.064 -1.732 1.00 0.00 H new ATOM 780 N ILE A 55 -6.460 -1.840 0.996 1.00 0.00 N ATOM 781 CA ILE A 55 -5.369 -2.719 1.397 1.00 0.00 C ATOM 782 C ILE A 55 -4.191 -2.607 0.435 1.00 0.00 C ATOM 783 O ILE A 55 -4.362 -2.678 -0.782 1.00 0.00 O ATOM 784 CB ILE A 55 -5.825 -4.188 1.464 1.00 0.00 C ATOM 785 CG1 ILE A 55 -7.103 -4.311 2.295 1.00 0.00 C ATOM 786 CG2 ILE A 55 -4.722 -5.059 2.046 1.00 0.00 C ATOM 787 CD1 ILE A 55 -7.833 -5.621 2.092 1.00 0.00 C ATOM 0 H ILE A 55 -6.763 -1.957 0.029 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.055 -2.399 2.391 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.038 -4.533 0.452 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.852 -4.204 3.350 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.772 -3.489 2.042 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.060 -6.095 2.087 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.835 -4.991 1.417 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.480 -4.716 3.052 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.729 -5.638 2.712 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.115 -5.722 1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.181 -6.448 2.373 1.00 0.00 H new ATOM 799 N ILE A 56 -2.996 -2.433 0.990 1.00 0.00 N ATOM 800 CA ILE A 56 -1.789 -2.314 0.181 1.00 0.00 C ATOM 801 C ILE A 56 -0.907 -3.550 0.324 1.00 0.00 C ATOM 802 O ILE A 56 -0.759 -4.096 1.418 1.00 0.00 O ATOM 803 CB ILE A 56 -0.972 -1.067 0.568 1.00 0.00 C ATOM 804 CG1 ILE A 56 -1.825 0.194 0.419 1.00 0.00 C ATOM 805 CG2 ILE A 56 0.282 -0.969 -0.288 1.00 0.00 C ATOM 806 CD1 ILE A 56 -1.187 1.429 1.015 1.00 0.00 C ATOM 0 H ILE A 56 -2.838 -2.371 1.996 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.112 -2.219 -0.856 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.670 -1.158 1.611 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.018 0.369 -0.639 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.791 0.028 0.896 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.849 -0.083 -0.003 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.896 -1.857 -0.137 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.001 -0.897 -1.339 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.847 2.284 0.873 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.019 1.274 2.081 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.234 1.620 0.522 1.00 0.00 H new ATOM 818 N TYR A 57 -0.323 -3.985 -0.786 1.00 0.00 N ATOM 819 CA TYR A 57 0.544 -5.158 -0.785 1.00 0.00 C ATOM 820 C TYR A 57 1.902 -4.831 -1.399 1.00 0.00 C ATOM 821 O TYR A 57 1.987 -4.374 -2.539 1.00 0.00 O ATOM 822 CB TYR A 57 -0.113 -6.305 -1.554 1.00 0.00 C ATOM 823 CG TYR A 57 -1.546 -6.566 -1.145 1.00 0.00 C ATOM 824 CD1 TYR A 57 -2.568 -5.711 -1.540 1.00 0.00 C ATOM 825 CD2 TYR A 57 -1.877 -7.666 -0.363 1.00 0.00 C ATOM 826 CE1 TYR A 57 -3.878 -5.945 -1.168 1.00 0.00 C ATOM 827 CE2 TYR A 57 -3.184 -7.908 0.012 1.00 0.00 C ATOM 828 CZ TYR A 57 -4.181 -7.045 -0.393 1.00 0.00 C ATOM 829 OH TYR A 57 -5.484 -7.282 -0.021 1.00 0.00 O ATOM 0 H TYR A 57 -0.434 -3.543 -1.699 1.00 0.00 H new ATOM 0 HA TYR A 57 0.697 -5.465 0.250 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -0.083 -6.080 -2.620 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.470 -7.213 -1.403 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.334 -4.849 -2.148 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -1.099 -8.343 -0.043 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.660 -5.270 -1.482 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.424 -8.768 0.619 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.526 -8.097 0.522 1.00 0.00 H new ATOM 839 N TYR A 58 2.962 -5.071 -0.635 1.00 0.00 N ATOM 840 CA TYR A 58 4.317 -4.802 -1.102 1.00 0.00 C ATOM 841 C TYR A 58 5.269 -5.917 -0.683 1.00 0.00 C ATOM 842 O TYR A 58 5.073 -6.562 0.347 1.00 0.00 O ATOM 843 CB TYR A 58 4.810 -3.462 -0.553 1.00 0.00 C ATOM 844 CG TYR A 58 5.243 -3.522 0.894 1.00 0.00 C ATOM 845 CD1 TYR A 58 6.377 -4.231 1.272 1.00 0.00 C ATOM 846 CD2 TYR A 58 4.518 -2.870 1.884 1.00 0.00 C ATOM 847 CE1 TYR A 58 6.775 -4.290 2.594 1.00 0.00 C ATOM 848 CE2 TYR A 58 4.909 -2.922 3.208 1.00 0.00 C ATOM 849 CZ TYR A 58 6.038 -3.633 3.558 1.00 0.00 C ATOM 850 OH TYR A 58 6.432 -3.688 4.875 1.00 0.00 O ATOM 0 H TYR A 58 2.909 -5.451 0.310 1.00 0.00 H new ATOM 0 HA TYR A 58 4.297 -4.757 -2.191 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.647 -3.116 -1.160 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.016 -2.723 -0.655 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.957 -4.745 0.520 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.633 -2.313 1.614 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.658 -4.847 2.871 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.334 -2.409 3.965 1.00 0.00 H new ATOM 0 HH TYR A 58 5.806 -3.172 5.425 1.00 0.00 H new ATOM 860 N SER A 59 6.302 -6.139 -1.489 1.00 0.00 N ATOM 861 CA SER A 59 7.284 -7.178 -1.206 1.00 0.00 C ATOM 862 C SER A 59 8.477 -7.071 -2.151 1.00 0.00 C ATOM 863 O SER A 59 8.410 -6.402 -3.183 1.00 0.00 O ATOM 864 CB SER A 59 6.644 -8.562 -1.329 1.00 0.00 C ATOM 865 OG SER A 59 7.349 -9.521 -0.560 1.00 0.00 O ATOM 0 H SER A 59 6.480 -5.612 -2.344 1.00 0.00 H new ATOM 0 HA SER A 59 7.638 -7.039 -0.185 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.607 -8.517 -0.997 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.631 -8.868 -2.375 1.00 0.00 H new ATOM 0 HG SER A 59 6.919 -10.396 -0.654 1.00 0.00 H new ATOM 871 N THR A 60 9.571 -7.736 -1.791 1.00 0.00 N ATOM 872 CA THR A 60 10.780 -7.715 -2.605 1.00 0.00 C ATOM 873 C THR A 60 10.750 -8.813 -3.662 1.00 0.00 C ATOM 874 O THR A 60 11.734 -9.526 -3.858 1.00 0.00 O ATOM 875 CB THR A 60 12.043 -7.887 -1.739 1.00 0.00 C ATOM 876 OG1 THR A 60 12.011 -9.153 -1.071 1.00 0.00 O ATOM 877 CG2 THR A 60 12.151 -6.769 -0.713 1.00 0.00 C ATOM 0 H THR A 60 9.644 -8.295 -0.941 1.00 0.00 H new ATOM 0 HA THR A 60 10.814 -6.742 -3.096 1.00 0.00 H new ATOM 0 HB THR A 60 12.914 -7.844 -2.393 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.818 -9.255 -0.524 1.00 0.00 H new ATOM 0 HG21 THR A 60 13.050 -6.911 -0.113 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.205 -5.809 -1.226 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.275 -6.785 -0.064 1.00 0.00 H new ATOM 885 N ASP A 61 9.616 -8.942 -4.342 1.00 0.00 N ATOM 886 CA ASP A 61 9.458 -9.952 -5.382 1.00 0.00 C ATOM 887 C ASP A 61 8.138 -9.767 -6.123 1.00 0.00 C ATOM 888 O ASP A 61 7.076 -9.674 -5.508 1.00 0.00 O ATOM 889 CB ASP A 61 9.524 -11.354 -4.774 1.00 0.00 C ATOM 890 CG ASP A 61 10.943 -11.884 -4.694 1.00 0.00 C ATOM 891 OD1 ASP A 61 11.500 -12.248 -5.750 1.00 0.00 O ATOM 892 OD2 ASP A 61 11.495 -11.936 -3.575 1.00 0.00 O ATOM 0 H ASP A 61 8.792 -8.359 -4.192 1.00 0.00 H new ATOM 0 HA ASP A 61 10.274 -9.835 -6.096 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.090 -11.334 -3.774 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.918 -12.035 -5.372 1.00 0.00 H new ATOM 897 N VAL A 62 8.212 -9.714 -7.449 1.00 0.00 N ATOM 898 CA VAL A 62 7.023 -9.541 -8.275 1.00 0.00 C ATOM 899 C VAL A 62 6.359 -10.881 -8.571 1.00 0.00 C ATOM 900 O VAL A 62 5.134 -10.979 -8.625 1.00 0.00 O ATOM 901 CB VAL A 62 7.361 -8.844 -9.606 1.00 0.00 C ATOM 902 CG1 VAL A 62 8.280 -9.716 -10.448 1.00 0.00 C ATOM 903 CG2 VAL A 62 6.089 -8.504 -10.368 1.00 0.00 C ATOM 0 H VAL A 62 9.083 -9.788 -7.974 1.00 0.00 H new ATOM 0 HA VAL A 62 6.334 -8.914 -7.709 1.00 0.00 H new ATOM 0 HB VAL A 62 7.884 -7.914 -9.386 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.508 -9.207 -11.384 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.205 -9.903 -9.902 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.787 -10.664 -10.661 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.347 -8.012 -11.306 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.535 -9.419 -10.579 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.472 -7.837 -9.766 1.00 0.00 H new ATOM 913 N ASN A 63 7.176 -11.911 -8.760 1.00 0.00 N ATOM 914 CA ASN A 63 6.667 -13.247 -9.050 1.00 0.00 C ATOM 915 C ASN A 63 6.444 -14.035 -7.763 1.00 0.00 C ATOM 916 O ASN A 63 6.468 -15.266 -7.764 1.00 0.00 O ATOM 917 CB ASN A 63 7.640 -14.000 -9.959 1.00 0.00 C ATOM 918 CG ASN A 63 7.541 -13.555 -11.406 1.00 0.00 C ATOM 919 OD1 ASN A 63 6.617 -13.939 -12.123 1.00 0.00 O ATOM 920 ND2 ASN A 63 8.496 -12.741 -11.841 1.00 0.00 N ATOM 0 H ASN A 63 8.193 -11.847 -8.718 1.00 0.00 H new ATOM 0 HA ASN A 63 5.710 -13.141 -9.561 1.00 0.00 H new ATOM 0 HB2 ASN A 63 8.659 -13.846 -9.603 1.00 0.00 H new ATOM 0 HB3 ASN A 63 7.439 -15.069 -9.896 1.00 0.00 H new ATOM 0 HD21 ASN A 63 8.483 -12.408 -12.805 1.00 0.00 H new ATOM 0 HD22 ASN A 63 9.243 -12.448 -11.211 1.00 0.00 H new ATOM 927 N ALA A 64 6.225 -13.317 -6.666 1.00 0.00 N ATOM 928 CA ALA A 64 5.995 -13.949 -5.373 1.00 0.00 C ATOM 929 C ALA A 64 4.503 -14.104 -5.096 1.00 0.00 C ATOM 930 O ALA A 64 3.730 -13.162 -5.267 1.00 0.00 O ATOM 931 CB ALA A 64 6.658 -13.143 -4.266 1.00 0.00 C ATOM 0 H ALA A 64 6.202 -12.297 -6.647 1.00 0.00 H new ATOM 0 HA ALA A 64 6.439 -14.944 -5.398 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.478 -13.627 -3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.731 -13.088 -4.449 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.241 -12.136 -4.249 1.00 0.00 H new ATOM 937 N GLU A 65 4.106 -15.298 -4.667 1.00 0.00 N ATOM 938 CA GLU A 65 2.706 -15.576 -4.369 1.00 0.00 C ATOM 939 C GLU A 65 2.105 -14.471 -3.504 1.00 0.00 C ATOM 940 O GLU A 65 2.690 -14.068 -2.498 1.00 0.00 O ATOM 941 CB GLU A 65 2.571 -16.925 -3.659 1.00 0.00 C ATOM 942 CG GLU A 65 2.485 -18.107 -4.610 1.00 0.00 C ATOM 943 CD GLU A 65 3.472 -18.005 -5.757 1.00 0.00 C ATOM 944 OE1 GLU A 65 3.157 -17.320 -6.752 1.00 0.00 O ATOM 945 OE2 GLU A 65 4.559 -18.612 -5.658 1.00 0.00 O ATOM 0 H GLU A 65 4.734 -16.088 -4.518 1.00 0.00 H new ATOM 0 HA GLU A 65 2.160 -15.614 -5.312 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.425 -17.064 -2.996 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.680 -16.908 -3.032 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.670 -19.028 -4.057 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.473 -18.174 -5.011 1.00 0.00 H new ATOM 952 N ILE A 66 0.935 -13.986 -3.904 1.00 0.00 N ATOM 953 CA ILE A 66 0.254 -12.929 -3.166 1.00 0.00 C ATOM 954 C ILE A 66 0.298 -13.191 -1.664 1.00 0.00 C ATOM 955 O ILE A 66 0.229 -12.262 -0.859 1.00 0.00 O ATOM 956 CB ILE A 66 -1.214 -12.789 -3.609 1.00 0.00 C ATOM 957 CG1 ILE A 66 -1.763 -11.419 -3.203 1.00 0.00 C ATOM 958 CG2 ILE A 66 -2.057 -13.903 -3.007 1.00 0.00 C ATOM 959 CD1 ILE A 66 -1.217 -10.279 -4.033 1.00 0.00 C ATOM 0 H ILE A 66 0.439 -14.308 -4.735 1.00 0.00 H new ATOM 0 HA ILE A 66 0.781 -12.001 -3.386 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.260 -12.871 -4.695 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.850 -11.432 -3.289 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.528 -11.239 -2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.092 -13.791 -3.329 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.676 -14.868 -3.340 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.008 -13.849 -1.919 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.649 -9.339 -3.690 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.133 -10.239 -3.928 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.475 -10.436 -5.080 1.00 0.00 H new ATOM 971 N HIS A 67 0.414 -14.462 -1.294 1.00 0.00 N ATOM 972 CA HIS A 67 0.470 -14.847 0.112 1.00 0.00 C ATOM 973 C HIS A 67 1.737 -14.312 0.772 1.00 0.00 C ATOM 974 O HIS A 67 1.703 -13.832 1.905 1.00 0.00 O ATOM 975 CB HIS A 67 0.413 -16.369 0.248 1.00 0.00 C ATOM 976 CG HIS A 67 1.733 -17.040 0.022 1.00 0.00 C ATOM 977 ND1 HIS A 67 1.958 -17.929 -1.007 1.00 0.00 N ATOM 978 CD2 HIS A 67 2.901 -16.947 0.700 1.00 0.00 C ATOM 979 CE1 HIS A 67 3.208 -18.355 -0.953 1.00 0.00 C ATOM 980 NE2 HIS A 67 3.802 -17.774 0.074 1.00 0.00 N ATOM 0 H HIS A 67 0.471 -15.243 -1.948 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.392 -14.412 0.617 1.00 0.00 H new ATOM 0 HB2 HIS A 67 0.051 -16.623 1.244 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.312 -16.762 -0.464 1.00 0.00 H new ATOM 0 HD2 HIS A 67 3.089 -16.336 1.571 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.666 -19.058 -1.633 1.00 0.00 H new ATOM 0 HE2 HIS A 67 4.772 -17.916 0.356 1.00 0.00 H new ATOM 989 N ASP A 68 2.853 -14.399 0.056 1.00 0.00 N ATOM 990 CA ASP A 68 4.131 -13.924 0.572 1.00 0.00 C ATOM 991 C ASP A 68 4.107 -12.412 0.776 1.00 0.00 C ATOM 992 O ASP A 68 4.773 -11.886 1.668 1.00 0.00 O ATOM 993 CB ASP A 68 5.264 -14.304 -0.383 1.00 0.00 C ATOM 994 CG ASP A 68 5.798 -15.698 -0.122 1.00 0.00 C ATOM 995 OD1 ASP A 68 6.325 -15.934 0.986 1.00 0.00 O ATOM 996 OD2 ASP A 68 5.691 -16.554 -1.025 1.00 0.00 O ATOM 0 H ASP A 68 2.898 -14.794 -0.883 1.00 0.00 H new ATOM 0 HA ASP A 68 4.304 -14.400 1.537 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.905 -14.242 -1.410 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.075 -13.583 -0.285 1.00 0.00 H new ATOM 1001 N TRP A 69 3.336 -11.721 -0.056 1.00 0.00 N ATOM 1002 CA TRP A 69 3.226 -10.269 0.033 1.00 0.00 C ATOM 1003 C TRP A 69 2.623 -9.850 1.369 1.00 0.00 C ATOM 1004 O TRP A 69 1.732 -10.516 1.896 1.00 0.00 O ATOM 1005 CB TRP A 69 2.373 -9.731 -1.116 1.00 0.00 C ATOM 1006 CG TRP A 69 3.023 -9.878 -2.459 1.00 0.00 C ATOM 1007 CD1 TRP A 69 3.524 -11.025 -3.005 1.00 0.00 C ATOM 1008 CD2 TRP A 69 3.245 -8.842 -3.421 1.00 0.00 C ATOM 1009 NE1 TRP A 69 4.044 -10.764 -4.250 1.00 0.00 N ATOM 1010 CE2 TRP A 69 3.884 -9.433 -4.529 1.00 0.00 C ATOM 1011 CE3 TRP A 69 2.965 -7.473 -3.457 1.00 0.00 C ATOM 1012 CZ2 TRP A 69 4.247 -8.701 -5.657 1.00 0.00 C ATOM 1013 CZ3 TRP A 69 3.326 -6.748 -4.576 1.00 0.00 C ATOM 1014 CH2 TRP A 69 3.961 -7.363 -5.664 1.00 0.00 C ATOM 0 H TRP A 69 2.778 -12.142 -0.799 1.00 0.00 H new ATOM 0 HA TRP A 69 4.229 -9.848 -0.040 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.416 -10.254 -1.124 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.159 -8.677 -0.937 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.513 -11.994 -2.529 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.479 -11.451 -4.866 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.475 -6.990 -2.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 4.737 -9.173 -6.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.115 -5.689 -4.613 1.00 0.00 H new ATOM 0 HH2 TRP A 69 4.230 -6.769 -6.525 1.00 0.00 H new ATOM 1025 N VAL A 70 3.115 -8.741 1.914 1.00 0.00 N ATOM 1026 CA VAL A 70 2.624 -8.232 3.189 1.00 0.00 C ATOM 1027 C VAL A 70 1.272 -7.548 3.022 1.00 0.00 C ATOM 1028 O VAL A 70 0.951 -7.036 1.949 1.00 0.00 O ATOM 1029 CB VAL A 70 3.617 -7.237 3.816 1.00 0.00 C ATOM 1030 CG1 VAL A 70 3.544 -5.892 3.109 1.00 0.00 C ATOM 1031 CG2 VAL A 70 3.346 -7.081 5.305 1.00 0.00 C ATOM 0 H VAL A 70 3.853 -8.178 1.492 1.00 0.00 H new ATOM 0 HA VAL A 70 2.515 -9.090 3.852 1.00 0.00 H new ATOM 0 HB VAL A 70 4.626 -7.631 3.693 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.253 -5.202 3.566 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.791 -6.021 2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.535 -5.488 3.198 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.057 -6.374 5.732 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.332 -6.710 5.453 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.454 -8.047 5.798 1.00 0.00 H new ATOM 1041 N ILE A 71 0.482 -7.542 4.091 1.00 0.00 N ATOM 1042 CA ILE A 71 -0.835 -6.918 4.064 1.00 0.00 C ATOM 1043 C ILE A 71 -0.856 -5.641 4.898 1.00 0.00 C ATOM 1044 O ILE A 71 -0.839 -5.691 6.127 1.00 0.00 O ATOM 1045 CB ILE A 71 -1.922 -7.876 4.586 1.00 0.00 C ATOM 1046 CG1 ILE A 71 -1.988 -9.132 3.714 1.00 0.00 C ATOM 1047 CG2 ILE A 71 -3.273 -7.177 4.621 1.00 0.00 C ATOM 1048 CD1 ILE A 71 -2.777 -10.261 4.339 1.00 0.00 C ATOM 0 H ILE A 71 0.731 -7.962 4.986 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.047 -6.673 3.023 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.664 -8.175 5.602 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.436 -8.875 2.754 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.974 -9.477 3.511 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.030 -7.867 4.992 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.217 -6.311 5.280 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.540 -6.851 3.616 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.781 -11.118 3.666 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.317 -10.546 5.286 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.801 -9.934 4.517 1.00 0.00 H new ATOM 1060 N GLU A 72 -0.894 -4.499 4.219 1.00 0.00 N ATOM 1061 CA GLU A 72 -0.919 -3.209 4.898 1.00 0.00 C ATOM 1062 C GLU A 72 -2.292 -2.554 4.772 1.00 0.00 C ATOM 1063 O GLU A 72 -2.551 -1.768 3.860 1.00 0.00 O ATOM 1064 CB GLU A 72 0.154 -2.283 4.320 1.00 0.00 C ATOM 1065 CG GLU A 72 1.506 -2.421 5.000 1.00 0.00 C ATOM 1066 CD GLU A 72 1.399 -2.452 6.512 1.00 0.00 C ATOM 1067 OE1 GLU A 72 0.514 -1.760 7.057 1.00 0.00 O ATOM 1068 OE2 GLU A 72 2.199 -3.168 7.150 1.00 0.00 O ATOM 0 H GLU A 72 -0.908 -4.441 3.201 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.712 -3.379 5.955 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.268 -2.492 3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.184 -1.250 4.407 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.990 -3.335 4.655 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.145 -1.590 4.702 1.00 0.00 H new ATOM 1075 N PRO A 73 -3.193 -2.885 5.709 1.00 0.00 N ATOM 1076 CA PRO A 73 -4.554 -2.341 5.725 1.00 0.00 C ATOM 1077 C PRO A 73 -4.582 -0.859 6.083 1.00 0.00 C ATOM 1078 O PRO A 73 -3.834 -0.405 6.949 1.00 0.00 O ATOM 1079 CB PRO A 73 -5.252 -3.166 6.809 1.00 0.00 C ATOM 1080 CG PRO A 73 -4.153 -3.619 7.707 1.00 0.00 C ATOM 1081 CD PRO A 73 -2.952 -3.815 6.824 1.00 0.00 C ATOM 0 HA PRO A 73 -5.031 -2.406 4.747 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.985 -2.568 7.351 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.787 -4.013 6.379 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.952 -2.879 8.481 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.420 -4.546 8.214 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.025 -3.582 7.348 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.872 -4.845 6.478 1.00 0.00 H new ATOM 1089 N VAL A 74 -5.449 -0.109 5.410 1.00 0.00 N ATOM 1090 CA VAL A 74 -5.575 1.322 5.658 1.00 0.00 C ATOM 1091 C VAL A 74 -6.849 1.635 6.435 1.00 0.00 C ATOM 1092 O VAL A 74 -7.955 1.357 5.972 1.00 0.00 O ATOM 1093 CB VAL A 74 -5.579 2.122 4.342 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -5.490 3.614 4.623 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -4.439 1.671 3.441 1.00 0.00 C ATOM 0 H VAL A 74 -6.074 -0.469 4.689 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.710 1.618 6.251 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.519 1.931 3.824 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.494 4.163 3.681 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.344 3.922 5.226 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.568 3.828 5.163 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.457 2.247 2.516 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.488 1.831 3.949 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.554 0.612 3.211 1.00 0.00 H new ATOM 1105 N VAL A 75 -6.686 2.216 7.619 1.00 0.00 N ATOM 1106 CA VAL A 75 -7.824 2.569 8.460 1.00 0.00 C ATOM 1107 C VAL A 75 -8.520 3.824 7.945 1.00 0.00 C ATOM 1108 O VAL A 75 -8.009 4.513 7.063 1.00 0.00 O ATOM 1109 CB VAL A 75 -7.392 2.799 9.921 1.00 0.00 C ATOM 1110 CG1 VAL A 75 -6.805 1.526 10.511 1.00 0.00 C ATOM 1111 CG2 VAL A 75 -6.395 3.945 10.007 1.00 0.00 C ATOM 0 H VAL A 75 -5.777 2.452 8.018 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.518 1.730 8.421 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.273 3.069 10.504 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.506 1.708 11.543 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.553 0.734 10.484 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.935 1.223 9.929 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.100 4.094 11.046 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.514 3.707 9.411 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.855 4.857 9.626 1.00 0.00 H new ATOM 1121 N GLY A 76 -9.692 4.114 8.501 1.00 0.00 N ATOM 1122 CA GLY A 76 -10.441 5.286 8.085 1.00 0.00 C ATOM 1123 C GLY A 76 -10.590 5.375 6.580 1.00 0.00 C ATOM 1124 O GLY A 76 -10.245 4.439 5.859 1.00 0.00 O ATOM 0 H GLY A 76 -10.136 3.559 9.232 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.429 5.263 8.544 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.940 6.182 8.451 1.00 0.00 H new ATOM 1128 N ASN A 77 -11.106 6.503 6.103 1.00 0.00 N ATOM 1129 CA ASN A 77 -11.303 6.709 4.673 1.00 0.00 C ATOM 1130 C ASN A 77 -10.082 7.377 4.047 1.00 0.00 C ATOM 1131 O ASN A 77 -10.212 8.299 3.241 1.00 0.00 O ATOM 1132 CB ASN A 77 -12.548 7.562 4.425 1.00 0.00 C ATOM 1133 CG ASN A 77 -12.735 8.632 5.483 1.00 0.00 C ATOM 1134 OD1 ASN A 77 -13.683 8.586 6.268 1.00 0.00 O ATOM 1135 ND2 ASN A 77 -11.830 9.603 5.509 1.00 0.00 N ATOM 0 H ASN A 77 -11.395 7.288 6.686 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.441 5.734 4.207 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -12.473 8.033 3.445 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -13.428 6.919 4.403 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -11.904 10.351 6.199 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.061 9.601 4.839 1.00 0.00 H new ATOM 1142 N ARG A 78 -8.898 6.905 4.423 1.00 0.00 N ATOM 1143 CA ARG A 78 -7.654 7.457 3.899 1.00 0.00 C ATOM 1144 C ARG A 78 -7.279 6.794 2.577 1.00 0.00 C ATOM 1145 O ARG A 78 -7.461 5.588 2.402 1.00 0.00 O ATOM 1146 CB ARG A 78 -6.524 7.274 4.913 1.00 0.00 C ATOM 1147 CG ARG A 78 -5.398 8.284 4.759 1.00 0.00 C ATOM 1148 CD ARG A 78 -4.727 8.578 6.091 1.00 0.00 C ATOM 1149 NE ARG A 78 -3.726 9.636 5.978 1.00 0.00 N ATOM 1150 CZ ARG A 78 -2.813 9.886 6.910 1.00 0.00 C ATOM 1151 NH1 ARG A 78 -2.775 9.158 8.018 1.00 0.00 N ATOM 1152 NH2 ARG A 78 -1.936 10.867 6.735 1.00 0.00 N ATOM 0 H ARG A 78 -8.774 6.142 5.088 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.804 8.522 3.721 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.935 7.351 5.920 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.115 6.269 4.811 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.659 7.902 4.055 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.792 9.208 4.337 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.482 8.870 6.821 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.254 7.671 6.467 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.728 10.214 5.138 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.448 8.404 8.156 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.073 9.352 8.732 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.963 11.429 5.884 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.235 11.058 7.451 1.00 0.00 H new ATOM 1166 N LEU A 79 -6.755 7.588 1.650 1.00 0.00 N ATOM 1167 CA LEU A 79 -6.355 7.079 0.344 1.00 0.00 C ATOM 1168 C LEU A 79 -4.839 7.139 0.177 1.00 0.00 C ATOM 1169 O LEU A 79 -4.313 6.898 -0.910 1.00 0.00 O ATOM 1170 CB LEU A 79 -7.033 7.880 -0.768 1.00 0.00 C ATOM 1171 CG LEU A 79 -8.555 8.001 -0.676 1.00 0.00 C ATOM 1172 CD1 LEU A 79 -9.047 9.187 -1.490 1.00 0.00 C ATOM 1173 CD2 LEU A 79 -9.221 6.716 -1.146 1.00 0.00 C ATOM 0 H LEU A 79 -6.597 8.587 1.779 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.669 6.038 0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.609 8.884 -0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.782 7.421 -1.724 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.825 8.166 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.132 9.257 -1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.596 10.103 -1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.766 9.053 -2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.304 6.820 -1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.944 6.520 -2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.894 5.886 -0.520 1.00 0.00 H new ATOM 1185 N THR A 80 -4.142 7.459 1.263 1.00 0.00 N ATOM 1186 CA THR A 80 -2.688 7.550 1.237 1.00 0.00 C ATOM 1187 C THR A 80 -2.070 6.799 2.411 1.00 0.00 C ATOM 1188 O THR A 80 -2.550 6.890 3.542 1.00 0.00 O ATOM 1189 CB THR A 80 -2.215 9.016 1.274 1.00 0.00 C ATOM 1190 OG1 THR A 80 -0.791 9.068 1.411 1.00 0.00 O ATOM 1191 CG2 THR A 80 -2.868 9.766 2.425 1.00 0.00 C ATOM 0 H THR A 80 -4.561 7.659 2.171 1.00 0.00 H new ATOM 0 HA THR A 80 -2.360 7.094 0.303 1.00 0.00 H new ATOM 0 HB THR A 80 -2.507 9.493 0.338 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.498 10.003 1.432 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.519 10.799 2.431 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.951 9.750 2.302 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.603 9.288 3.368 1.00 0.00 H new ATOM 1199 N HIS A 81 -1.001 6.057 2.137 1.00 0.00 N ATOM 1200 CA HIS A 81 -0.317 5.291 3.172 1.00 0.00 C ATOM 1201 C HIS A 81 1.168 5.639 3.213 1.00 0.00 C ATOM 1202 O HIS A 81 1.772 5.944 2.184 1.00 0.00 O ATOM 1203 CB HIS A 81 -0.495 3.792 2.929 1.00 0.00 C ATOM 1204 CG HIS A 81 -0.194 2.950 4.131 1.00 0.00 C ATOM 1205 ND1 HIS A 81 -0.476 3.351 5.420 1.00 0.00 N ATOM 1206 CD2 HIS A 81 0.366 1.722 4.234 1.00 0.00 C ATOM 1207 CE1 HIS A 81 -0.101 2.406 6.264 1.00 0.00 C ATOM 1208 NE2 HIS A 81 0.413 1.407 5.569 1.00 0.00 N ATOM 0 H HIS A 81 -0.590 5.970 1.207 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.760 5.550 4.134 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.520 3.603 2.611 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.155 3.486 2.109 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.711 1.105 3.418 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.198 2.444 7.339 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.785 0.542 5.961 1.00 0.00 H new ATOM 1217 N GLN A 82 1.750 5.592 4.407 1.00 0.00 N ATOM 1218 CA GLN A 82 3.164 5.904 4.581 1.00 0.00 C ATOM 1219 C GLN A 82 3.929 4.691 5.099 1.00 0.00 C ATOM 1220 O GLN A 82 3.829 4.337 6.274 1.00 0.00 O ATOM 1221 CB GLN A 82 3.334 7.079 5.545 1.00 0.00 C ATOM 1222 CG GLN A 82 3.264 8.438 4.866 1.00 0.00 C ATOM 1223 CD GLN A 82 2.927 9.556 5.832 1.00 0.00 C ATOM 1224 OE1 GLN A 82 3.544 9.686 6.889 1.00 0.00 O ATOM 1225 NE2 GLN A 82 1.942 10.371 5.474 1.00 0.00 N ATOM 0 H GLN A 82 1.264 5.341 5.268 1.00 0.00 H new ATOM 0 HA GLN A 82 3.572 6.180 3.608 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.561 7.025 6.311 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.294 6.985 6.054 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.221 8.651 4.389 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.514 8.407 4.076 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.457 10.227 4.588 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.670 11.142 6.085 1.00 0.00 H new ATOM 1234 N ILE A 83 4.693 4.058 4.215 1.00 0.00 N ATOM 1235 CA ILE A 83 5.475 2.885 4.584 1.00 0.00 C ATOM 1236 C ILE A 83 6.939 3.249 4.811 1.00 0.00 C ATOM 1237 O ILE A 83 7.585 3.831 3.941 1.00 0.00 O ATOM 1238 CB ILE A 83 5.393 1.790 3.504 1.00 0.00 C ATOM 1239 CG1 ILE A 83 3.937 1.380 3.274 1.00 0.00 C ATOM 1240 CG2 ILE A 83 6.231 0.585 3.906 1.00 0.00 C ATOM 1241 CD1 ILE A 83 3.734 0.546 2.028 1.00 0.00 C ATOM 0 H ILE A 83 4.787 4.338 3.239 1.00 0.00 H new ATOM 0 HA ILE A 83 5.049 2.502 5.512 1.00 0.00 H new ATOM 0 HB ILE A 83 5.791 2.189 2.571 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.585 0.818 4.139 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.322 2.277 3.205 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.163 -0.180 3.133 1.00 0.00 H new ATOM 0 HG22 ILE A 83 7.271 0.889 4.025 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.860 0.182 4.849 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.679 0.292 1.928 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.055 1.113 1.154 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.322 -0.369 2.103 1.00 0.00 H new ATOM 1253 N GLN A 84 7.454 2.902 5.986 1.00 0.00 N ATOM 1254 CA GLN A 84 8.842 3.192 6.327 1.00 0.00 C ATOM 1255 C GLN A 84 9.646 1.905 6.475 1.00 0.00 C ATOM 1256 O GLN A 84 9.139 0.812 6.222 1.00 0.00 O ATOM 1257 CB GLN A 84 8.912 4.003 7.622 1.00 0.00 C ATOM 1258 CG GLN A 84 7.817 5.050 7.744 1.00 0.00 C ATOM 1259 CD GLN A 84 8.100 6.066 8.833 1.00 0.00 C ATOM 1260 OE1 GLN A 84 9.230 6.188 9.305 1.00 0.00 O ATOM 1261 NE2 GLN A 84 7.071 6.802 9.238 1.00 0.00 N ATOM 0 H GLN A 84 6.932 2.420 6.718 1.00 0.00 H new ATOM 0 HA GLN A 84 9.275 3.778 5.516 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.849 3.322 8.471 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.882 4.496 7.680 1.00 0.00 H new ATOM 0 HG2 GLN A 84 7.706 5.566 6.791 1.00 0.00 H new ATOM 0 HG3 GLN A 84 6.868 4.555 7.951 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.151 6.667 8.819 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.201 7.502 9.968 1.00 0.00 H new ATOM 1270 N GLU A 85 10.903 2.042 6.885 1.00 0.00 N ATOM 1271 CA GLU A 85 11.778 0.889 7.066 1.00 0.00 C ATOM 1272 C GLU A 85 11.957 0.132 5.753 1.00 0.00 C ATOM 1273 O GLU A 85 11.889 -1.098 5.718 1.00 0.00 O ATOM 1274 CB GLU A 85 11.210 -0.047 8.134 1.00 0.00 C ATOM 1275 CG GLU A 85 11.311 0.508 9.545 1.00 0.00 C ATOM 1276 CD GLU A 85 11.033 1.997 9.607 1.00 0.00 C ATOM 1277 OE1 GLU A 85 11.898 2.781 9.163 1.00 0.00 O ATOM 1278 OE2 GLU A 85 9.951 2.378 10.100 1.00 0.00 O ATOM 0 H GLU A 85 11.338 2.939 7.098 1.00 0.00 H new ATOM 0 HA GLU A 85 12.753 1.251 7.393 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.164 -0.251 7.907 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.738 -1.000 8.088 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.605 -0.017 10.189 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.308 0.312 9.938 1.00 0.00 H new ATOM 1285 N LEU A 86 12.185 0.874 4.675 1.00 0.00 N ATOM 1286 CA LEU A 86 12.373 0.273 3.359 1.00 0.00 C ATOM 1287 C LEU A 86 13.812 0.445 2.883 1.00 0.00 C ATOM 1288 O LEU A 86 14.423 1.496 3.082 1.00 0.00 O ATOM 1289 CB LEU A 86 11.411 0.901 2.348 1.00 0.00 C ATOM 1290 CG LEU A 86 9.944 0.486 2.471 1.00 0.00 C ATOM 1291 CD1 LEU A 86 9.082 1.282 1.504 1.00 0.00 C ATOM 1292 CD2 LEU A 86 9.789 -1.007 2.223 1.00 0.00 C ATOM 0 H LEU A 86 12.244 1.892 4.686 1.00 0.00 H new ATOM 0 HA LEU A 86 12.161 -0.793 3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.471 1.985 2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.756 0.651 1.345 1.00 0.00 H new ATOM 0 HG LEU A 86 9.609 0.701 3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.042 0.973 1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.169 2.345 1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.417 1.099 0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.739 -1.284 2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.142 -1.248 1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.376 -1.560 2.956 1.00 0.00 H new ATOM 1304 N THR A 87 14.349 -0.593 2.250 1.00 0.00 N ATOM 1305 CA THR A 87 15.715 -0.558 1.744 1.00 0.00 C ATOM 1306 C THR A 87 15.884 0.534 0.693 1.00 0.00 C ATOM 1307 O THR A 87 14.917 1.193 0.307 1.00 0.00 O ATOM 1308 CB THR A 87 16.123 -1.911 1.132 1.00 0.00 C ATOM 1309 OG1 THR A 87 17.505 -2.174 1.402 1.00 0.00 O ATOM 1310 CG2 THR A 87 15.884 -1.920 -0.370 1.00 0.00 C ATOM 0 H THR A 87 13.858 -1.470 2.075 1.00 0.00 H new ATOM 0 HA THR A 87 16.361 -0.343 2.595 1.00 0.00 H new ATOM 0 HB THR A 87 15.510 -2.690 1.586 1.00 0.00 H new ATOM 0 HG1 THR A 87 17.756 -3.037 1.011 1.00 0.00 H new ATOM 0 HG21 THR A 87 16.180 -2.886 -0.780 1.00 0.00 H new ATOM 0 HG22 THR A 87 14.826 -1.749 -0.571 1.00 0.00 H new ATOM 0 HG23 THR A 87 16.474 -1.132 -0.837 1.00 0.00 H new ATOM 1318 N LEU A 88 17.116 0.720 0.233 1.00 0.00 N ATOM 1319 CA LEU A 88 17.411 1.732 -0.775 1.00 0.00 C ATOM 1320 C LEU A 88 17.791 1.084 -2.103 1.00 0.00 C ATOM 1321 O LEU A 88 18.078 -0.112 -2.161 1.00 0.00 O ATOM 1322 CB LEU A 88 18.544 2.642 -0.297 1.00 0.00 C ATOM 1323 CG LEU A 88 18.477 3.083 1.166 1.00 0.00 C ATOM 1324 CD1 LEU A 88 19.709 3.895 1.535 1.00 0.00 C ATOM 1325 CD2 LEU A 88 17.211 3.886 1.423 1.00 0.00 C ATOM 0 H LEU A 88 17.927 0.183 0.542 1.00 0.00 H new ATOM 0 HA LEU A 88 16.512 2.330 -0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 88 19.490 2.126 -0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 88 18.557 3.533 -0.924 1.00 0.00 H new ATOM 0 HG LEU A 88 18.452 2.192 1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 88 19.644 4.200 2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 88 20.602 3.288 1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 88 19.765 4.780 0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 88 17.180 4.191 2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 88 17.206 4.771 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 88 16.339 3.272 1.198 1.00 0.00 H new ATOM 1337 N ASP A 89 17.792 1.881 -3.166 1.00 0.00 N ATOM 1338 CA ASP A 89 18.140 1.386 -4.492 1.00 0.00 C ATOM 1339 C ASP A 89 17.638 -0.041 -4.689 1.00 0.00 C ATOM 1340 O ASP A 89 18.408 -0.943 -5.020 1.00 0.00 O ATOM 1341 CB ASP A 89 19.655 1.439 -4.699 1.00 0.00 C ATOM 1342 CG ASP A 89 20.043 1.351 -6.162 1.00 0.00 C ATOM 1343 OD1 ASP A 89 19.204 0.905 -6.973 1.00 0.00 O ATOM 1344 OD2 ASP A 89 21.185 1.729 -6.496 1.00 0.00 O ATOM 0 H ASP A 89 17.556 2.873 -3.135 1.00 0.00 H new ATOM 0 HA ASP A 89 17.657 2.027 -5.229 1.00 0.00 H new ATOM 0 HB2 ASP A 89 20.044 2.366 -4.278 1.00 0.00 H new ATOM 0 HB3 ASP A 89 20.122 0.620 -4.152 1.00 0.00 H new ATOM 1349 N THR A 90 16.340 -0.240 -4.482 1.00 0.00 N ATOM 1350 CA THR A 90 15.734 -1.557 -4.634 1.00 0.00 C ATOM 1351 C THR A 90 14.354 -1.457 -5.273 1.00 0.00 C ATOM 1352 O THR A 90 13.498 -0.683 -4.842 1.00 0.00 O ATOM 1353 CB THR A 90 15.609 -2.278 -3.278 1.00 0.00 C ATOM 1354 OG1 THR A 90 16.905 -2.662 -2.806 1.00 0.00 O ATOM 1355 CG2 THR A 90 14.722 -3.508 -3.399 1.00 0.00 C ATOM 0 H THR A 90 15.688 0.495 -4.208 1.00 0.00 H new ATOM 0 HA THR A 90 16.391 -2.134 -5.285 1.00 0.00 H new ATOM 0 HB THR A 90 15.153 -1.590 -2.566 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.434 -1.860 -2.613 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.649 -4.000 -2.429 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.728 -3.208 -3.730 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.153 -4.198 -4.125 1.00 0.00 H new ATOM 1363 N PRO A 91 14.128 -2.257 -6.325 1.00 0.00 N ATOM 1364 CA PRO A 91 12.852 -2.278 -7.045 1.00 0.00 C ATOM 1365 C PRO A 91 11.728 -2.889 -6.215 1.00 0.00 C ATOM 1366 O PRO A 91 11.708 -4.097 -5.974 1.00 0.00 O ATOM 1367 CB PRO A 91 13.148 -3.150 -8.268 1.00 0.00 C ATOM 1368 CG PRO A 91 14.277 -4.025 -7.845 1.00 0.00 C ATOM 1369 CD PRO A 91 15.103 -3.205 -6.893 1.00 0.00 C ATOM 0 HA PRO A 91 12.508 -1.274 -7.294 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.277 -3.739 -8.555 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.420 -2.542 -9.131 1.00 0.00 H new ATOM 0 HG2 PRO A 91 13.909 -4.930 -7.362 1.00 0.00 H new ATOM 0 HG3 PRO A 91 14.869 -4.340 -8.704 1.00 0.00 H new ATOM 0 HD2 PRO A 91 15.559 -3.824 -6.120 1.00 0.00 H new ATOM 0 HD3 PRO A 91 15.914 -2.688 -7.407 1.00 0.00 H new ATOM 1377 N TYR A 92 10.795 -2.049 -5.782 1.00 0.00 N ATOM 1378 CA TYR A 92 9.668 -2.507 -4.977 1.00 0.00 C ATOM 1379 C TYR A 92 8.374 -2.478 -5.785 1.00 0.00 C ATOM 1380 O TYR A 92 8.165 -1.590 -6.612 1.00 0.00 O ATOM 1381 CB TYR A 92 9.522 -1.639 -3.727 1.00 0.00 C ATOM 1382 CG TYR A 92 10.299 -2.155 -2.537 1.00 0.00 C ATOM 1383 CD1 TYR A 92 11.685 -2.071 -2.497 1.00 0.00 C ATOM 1384 CD2 TYR A 92 9.646 -2.727 -1.451 1.00 0.00 C ATOM 1385 CE1 TYR A 92 12.399 -2.542 -1.413 1.00 0.00 C ATOM 1386 CE2 TYR A 92 10.352 -3.199 -0.362 1.00 0.00 C ATOM 1387 CZ TYR A 92 11.728 -3.105 -0.347 1.00 0.00 C ATOM 1388 OH TYR A 92 12.435 -3.574 0.736 1.00 0.00 O ATOM 0 H TYR A 92 10.796 -1.047 -5.975 1.00 0.00 H new ATOM 0 HA TYR A 92 9.863 -3.536 -4.676 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.855 -0.627 -3.957 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.467 -1.574 -3.461 1.00 0.00 H new ATOM 0 HD1 TYR A 92 12.214 -1.629 -3.329 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.569 -2.803 -1.459 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.477 -2.470 -1.400 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.829 -3.640 0.474 1.00 0.00 H new ATOM 0 HH TYR A 92 11.813 -3.938 1.400 1.00 0.00 H new ATOM 1398 N TYR A 93 7.509 -3.455 -5.539 1.00 0.00 N ATOM 1399 CA TYR A 93 6.236 -3.544 -6.243 1.00 0.00 C ATOM 1400 C TYR A 93 5.066 -3.476 -5.266 1.00 0.00 C ATOM 1401 O TYR A 93 4.900 -4.352 -4.417 1.00 0.00 O ATOM 1402 CB TYR A 93 6.165 -4.841 -7.051 1.00 0.00 C ATOM 1403 CG TYR A 93 7.423 -5.135 -7.836 1.00 0.00 C ATOM 1404 CD1 TYR A 93 8.490 -5.807 -7.252 1.00 0.00 C ATOM 1405 CD2 TYR A 93 7.545 -4.742 -9.163 1.00 0.00 C ATOM 1406 CE1 TYR A 93 9.641 -6.076 -7.965 1.00 0.00 C ATOM 1407 CE2 TYR A 93 8.692 -5.009 -9.885 1.00 0.00 C ATOM 1408 CZ TYR A 93 9.738 -5.675 -9.282 1.00 0.00 C ATOM 1409 OH TYR A 93 10.883 -5.943 -9.996 1.00 0.00 O ATOM 0 H TYR A 93 7.666 -4.197 -4.857 1.00 0.00 H new ATOM 0 HA TYR A 93 6.167 -2.695 -6.924 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.968 -5.671 -6.373 1.00 0.00 H new ATOM 0 HB3 TYR A 93 5.322 -4.785 -7.740 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.417 -6.124 -6.222 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.729 -4.219 -9.638 1.00 0.00 H new ATOM 0 HE1 TYR A 93 10.461 -6.598 -7.495 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.769 -4.698 -10.916 1.00 0.00 H new ATOM 0 HH TYR A 93 10.789 -5.595 -10.907 1.00 0.00 H new ATOM 1419 N PHE A 94 4.258 -2.429 -5.392 1.00 0.00 N ATOM 1420 CA PHE A 94 3.104 -2.244 -4.520 1.00 0.00 C ATOM 1421 C PHE A 94 1.804 -2.510 -5.275 1.00 0.00 C ATOM 1422 O PHE A 94 1.755 -2.417 -6.502 1.00 0.00 O ATOM 1423 CB PHE A 94 3.093 -0.826 -3.946 1.00 0.00 C ATOM 1424 CG PHE A 94 4.427 -0.384 -3.415 1.00 0.00 C ATOM 1425 CD1 PHE A 94 5.427 0.034 -4.279 1.00 0.00 C ATOM 1426 CD2 PHE A 94 4.680 -0.386 -2.053 1.00 0.00 C ATOM 1427 CE1 PHE A 94 6.655 0.442 -3.793 1.00 0.00 C ATOM 1428 CE2 PHE A 94 5.906 0.021 -1.562 1.00 0.00 C ATOM 1429 CZ PHE A 94 6.895 0.434 -2.433 1.00 0.00 C ATOM 0 H PHE A 94 4.381 -1.695 -6.090 1.00 0.00 H new ATOM 0 HA PHE A 94 3.181 -2.959 -3.701 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.771 -0.131 -4.722 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.356 -0.773 -3.145 1.00 0.00 H new ATOM 0 HD1 PHE A 94 5.245 0.041 -5.343 1.00 0.00 H new ATOM 0 HD2 PHE A 94 3.911 -0.709 -1.367 1.00 0.00 H new ATOM 0 HE1 PHE A 94 7.426 0.767 -4.476 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.091 0.016 -0.498 1.00 0.00 H new ATOM 0 HZ PHE A 94 7.855 0.750 -2.051 1.00 0.00 H new ATOM 1439 N LYS A 95 0.753 -2.841 -4.533 1.00 0.00 N ATOM 1440 CA LYS A 95 -0.548 -3.120 -5.129 1.00 0.00 C ATOM 1441 C LYS A 95 -1.673 -2.562 -4.264 1.00 0.00 C ATOM 1442 O LYS A 95 -1.736 -2.828 -3.064 1.00 0.00 O ATOM 1443 CB LYS A 95 -0.733 -4.628 -5.316 1.00 0.00 C ATOM 1444 CG LYS A 95 0.397 -5.289 -6.086 1.00 0.00 C ATOM 1445 CD LYS A 95 -0.090 -6.503 -6.859 1.00 0.00 C ATOM 1446 CE LYS A 95 1.011 -7.541 -7.017 1.00 0.00 C ATOM 1447 NZ LYS A 95 1.022 -8.514 -5.891 1.00 0.00 N ATOM 0 H LYS A 95 0.777 -2.923 -3.517 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.586 -2.632 -6.103 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.818 -5.099 -4.337 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.672 -4.808 -5.839 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.837 -4.570 -6.776 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.184 -5.589 -5.394 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.940 -6.948 -6.342 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.443 -6.192 -7.842 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.874 -8.075 -7.957 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.977 -7.040 -7.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.898 -8.400 -5.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.202 -8.341 -5.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.973 -9.482 -6.268 1.00 0.00 H new ATOM 1461 N ILE A 96 -2.560 -1.790 -4.882 1.00 0.00 N ATOM 1462 CA ILE A 96 -3.685 -1.197 -4.169 1.00 0.00 C ATOM 1463 C ILE A 96 -4.988 -1.915 -4.503 1.00 0.00 C ATOM 1464 O ILE A 96 -5.180 -2.381 -5.625 1.00 0.00 O ATOM 1465 CB ILE A 96 -3.837 0.299 -4.500 1.00 0.00 C ATOM 1466 CG1 ILE A 96 -2.528 1.041 -4.221 1.00 0.00 C ATOM 1467 CG2 ILE A 96 -4.978 0.906 -3.699 1.00 0.00 C ATOM 1468 CD1 ILE A 96 -2.402 2.348 -4.972 1.00 0.00 C ATOM 0 H ILE A 96 -2.522 -1.560 -5.875 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.476 -1.305 -3.105 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.071 0.399 -5.560 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.452 1.237 -3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.690 0.396 -4.487 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.072 1.964 -3.944 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.908 0.392 -3.944 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.773 0.798 -2.634 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.450 2.819 -4.726 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.446 2.157 -6.044 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.219 3.011 -4.688 1.00 0.00 H new ATOM 1480 N GLN A 97 -5.880 -1.999 -3.521 1.00 0.00 N ATOM 1481 CA GLN A 97 -7.166 -2.659 -3.712 1.00 0.00 C ATOM 1482 C GLN A 97 -8.255 -1.977 -2.890 1.00 0.00 C ATOM 1483 O GLN A 97 -8.019 -1.554 -1.759 1.00 0.00 O ATOM 1484 CB GLN A 97 -7.067 -4.136 -3.324 1.00 0.00 C ATOM 1485 CG GLN A 97 -8.407 -4.853 -3.313 1.00 0.00 C ATOM 1486 CD GLN A 97 -8.439 -6.015 -2.340 1.00 0.00 C ATOM 1487 OE1 GLN A 97 -8.435 -5.821 -1.124 1.00 0.00 O ATOM 1488 NE2 GLN A 97 -8.472 -7.231 -2.871 1.00 0.00 N ATOM 0 H GLN A 97 -5.736 -1.618 -2.586 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.432 -2.584 -4.766 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.399 -4.642 -4.021 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.614 -4.214 -2.335 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.192 -4.144 -3.052 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.628 -5.218 -4.316 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.474 -7.345 -3.885 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.495 -8.051 -2.265 1.00 0.00 H new ATOM 1497 N ALA A 98 -9.448 -1.875 -3.468 1.00 0.00 N ATOM 1498 CA ALA A 98 -10.573 -1.246 -2.788 1.00 0.00 C ATOM 1499 C ALA A 98 -11.550 -2.292 -2.260 1.00 0.00 C ATOM 1500 O ALA A 98 -11.936 -3.213 -2.980 1.00 0.00 O ATOM 1501 CB ALA A 98 -11.285 -0.283 -3.727 1.00 0.00 C ATOM 0 H ALA A 98 -9.660 -2.220 -4.404 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.185 -0.687 -1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.123 0.180 -3.206 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.588 0.490 -4.052 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.654 -0.828 -4.596 1.00 0.00 H new ATOM 1507 N ARG A 99 -11.944 -2.144 -1.000 1.00 0.00 N ATOM 1508 CA ARG A 99 -12.874 -3.077 -0.376 1.00 0.00 C ATOM 1509 C ARG A 99 -13.878 -2.337 0.504 1.00 0.00 C ATOM 1510 O ARG A 99 -13.568 -1.290 1.070 1.00 0.00 O ATOM 1511 CB ARG A 99 -12.112 -4.109 0.458 1.00 0.00 C ATOM 1512 CG ARG A 99 -11.343 -3.504 1.621 1.00 0.00 C ATOM 1513 CD ARG A 99 -11.133 -4.516 2.736 1.00 0.00 C ATOM 1514 NE ARG A 99 -10.978 -3.872 4.038 1.00 0.00 N ATOM 1515 CZ ARG A 99 -11.197 -4.488 5.194 1.00 0.00 C ATOM 1516 NH1 ARG A 99 -11.578 -5.758 5.210 1.00 0.00 N ATOM 1517 NH2 ARG A 99 -11.034 -3.835 6.337 1.00 0.00 N ATOM 0 H ARG A 99 -11.634 -1.387 -0.391 1.00 0.00 H new ATOM 0 HA ARG A 99 -13.420 -3.591 -1.167 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -12.818 -4.845 0.844 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.416 -4.643 -0.188 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.377 -3.141 1.270 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.886 -2.642 2.008 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.981 -5.200 2.769 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.248 -5.115 2.520 1.00 0.00 H new ATOM 0 HE ARG A 99 -10.685 -2.895 4.061 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.703 -6.264 4.333 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.746 -6.229 6.099 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.740 -2.858 6.329 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.203 -4.310 7.224 1.00 0.00 H new ATOM 1531 N ASN A 100 -15.081 -2.891 0.614 1.00 0.00 N ATOM 1532 CA ASN A 100 -16.131 -2.283 1.424 1.00 0.00 C ATOM 1533 C ASN A 100 -16.563 -3.221 2.547 1.00 0.00 C ATOM 1534 O ASN A 100 -16.011 -4.309 2.708 1.00 0.00 O ATOM 1535 CB ASN A 100 -17.336 -1.927 0.551 1.00 0.00 C ATOM 1536 CG ASN A 100 -17.758 -3.073 -0.348 1.00 0.00 C ATOM 1537 OD1 ASN A 100 -17.289 -4.201 -0.195 1.00 0.00 O ATOM 1538 ND2 ASN A 100 -18.649 -2.789 -1.291 1.00 0.00 N ATOM 0 H ASN A 100 -15.353 -3.759 0.153 1.00 0.00 H new ATOM 0 HA ASN A 100 -15.731 -1.372 1.869 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -18.172 -1.643 1.190 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -17.093 -1.059 -0.062 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -18.971 -3.520 -1.925 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -19.011 -1.840 -1.381 1.00 0.00 H new ATOM 1545 N SER A 101 -17.553 -2.790 3.322 1.00 0.00 N ATOM 1546 CA SER A 101 -18.057 -3.590 4.433 1.00 0.00 C ATOM 1547 C SER A 101 -18.475 -4.978 3.958 1.00 0.00 C ATOM 1548 O SER A 101 -18.560 -5.918 4.748 1.00 0.00 O ATOM 1549 CB SER A 101 -19.243 -2.887 5.097 1.00 0.00 C ATOM 1550 OG SER A 101 -18.808 -2.018 6.129 1.00 0.00 O ATOM 0 H SER A 101 -18.022 -1.892 3.202 1.00 0.00 H new ATOM 0 HA SER A 101 -17.254 -3.702 5.162 1.00 0.00 H new ATOM 0 HB2 SER A 101 -19.799 -2.320 4.350 1.00 0.00 H new ATOM 0 HB3 SER A 101 -19.927 -3.630 5.507 1.00 0.00 H new ATOM 0 HG SER A 101 -19.584 -1.580 6.536 1.00 0.00 H new ATOM 1556 N LYS A 102 -18.735 -5.099 2.660 1.00 0.00 N ATOM 1557 CA LYS A 102 -19.143 -6.371 2.077 1.00 0.00 C ATOM 1558 C LYS A 102 -17.938 -7.282 1.861 1.00 0.00 C ATOM 1559 O LYS A 102 -17.755 -8.265 2.577 1.00 0.00 O ATOM 1560 CB LYS A 102 -19.864 -6.138 0.747 1.00 0.00 C ATOM 1561 CG LYS A 102 -21.227 -5.486 0.900 1.00 0.00 C ATOM 1562 CD LYS A 102 -22.235 -6.441 1.518 1.00 0.00 C ATOM 1563 CE LYS A 102 -23.295 -5.694 2.314 1.00 0.00 C ATOM 1564 NZ LYS A 102 -23.941 -4.622 1.508 1.00 0.00 N ATOM 0 H LYS A 102 -18.670 -4.331 1.992 1.00 0.00 H new ATOM 0 HA LYS A 102 -19.825 -6.859 2.773 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -19.240 -5.511 0.110 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -19.983 -7.093 0.236 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -21.138 -4.596 1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -21.586 -5.158 -0.075 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -22.713 -7.026 0.732 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -21.718 -7.146 2.170 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -24.054 -6.397 2.658 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -22.840 -5.256 3.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -24.795 -4.286 1.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -23.277 -3.830 1.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -24.203 -4.999 0.575 1.00 0.00 H new ATOM 1578 N GLY A 103 -17.118 -6.947 0.869 1.00 0.00 N ATOM 1579 CA GLY A 103 -15.941 -7.744 0.579 1.00 0.00 C ATOM 1580 C GLY A 103 -14.826 -6.926 -0.042 1.00 0.00 C ATOM 1581 O GLY A 103 -14.842 -5.697 0.016 1.00 0.00 O ATOM 0 H GLY A 103 -17.248 -6.138 0.262 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -15.581 -8.203 1.500 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -16.212 -8.555 -0.097 1.00 0.00 H new ATOM 1585 N MET A 104 -13.853 -7.610 -0.637 1.00 0.00 N ATOM 1586 CA MET A 104 -12.725 -6.938 -1.271 1.00 0.00 C ATOM 1587 C MET A 104 -12.754 -7.135 -2.783 1.00 0.00 C ATOM 1588 O MET A 104 -13.160 -8.188 -3.274 1.00 0.00 O ATOM 1589 CB MET A 104 -11.406 -7.465 -0.702 1.00 0.00 C ATOM 1590 CG MET A 104 -11.321 -7.383 0.814 1.00 0.00 C ATOM 1591 SD MET A 104 -9.708 -7.879 1.447 1.00 0.00 S ATOM 1592 CE MET A 104 -9.751 -9.643 1.138 1.00 0.00 C ATOM 0 H MET A 104 -13.824 -8.628 -0.693 1.00 0.00 H new ATOM 0 HA MET A 104 -12.804 -5.872 -1.060 1.00 0.00 H new ATOM 0 HB2 MET A 104 -11.276 -8.503 -1.009 1.00 0.00 H new ATOM 0 HB3 MET A 104 -10.581 -6.899 -1.135 1.00 0.00 H new ATOM 0 HG2 MET A 104 -11.533 -6.362 1.131 1.00 0.00 H new ATOM 0 HG3 MET A 104 -12.090 -8.019 1.252 1.00 0.00 H new ATOM 0 HE1 MET A 104 -8.914 -10.122 1.647 1.00 0.00 H new ATOM 0 HE2 MET A 104 -10.688 -10.055 1.513 1.00 0.00 H new ATOM 0 HE3 MET A 104 -9.677 -9.827 0.066 1.00 0.00 H new ATOM 1602 N GLY A 105 -12.322 -6.114 -3.517 1.00 0.00 N ATOM 1603 CA GLY A 105 -12.309 -6.195 -4.966 1.00 0.00 C ATOM 1604 C GLY A 105 -10.999 -6.735 -5.504 1.00 0.00 C ATOM 1605 O GLY A 105 -10.146 -7.214 -4.755 1.00 0.00 O ATOM 0 H GLY A 105 -11.981 -5.232 -3.134 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -13.126 -6.835 -5.299 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -12.489 -5.205 -5.384 1.00 0.00 H new ATOM 1609 N PRO A 106 -10.825 -6.664 -6.832 1.00 0.00 N ATOM 1610 CA PRO A 106 -9.612 -7.146 -7.499 1.00 0.00 C ATOM 1611 C PRO A 106 -8.398 -6.276 -7.195 1.00 0.00 C ATOM 1612 O PRO A 106 -8.533 -5.159 -6.696 1.00 0.00 O ATOM 1613 CB PRO A 106 -9.969 -7.066 -8.985 1.00 0.00 C ATOM 1614 CG PRO A 106 -11.019 -6.012 -9.066 1.00 0.00 C ATOM 1615 CD PRO A 106 -11.799 -6.105 -7.784 1.00 0.00 C ATOM 0 HA PRO A 106 -9.334 -8.146 -7.166 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -9.099 -6.805 -9.588 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -10.338 -8.022 -9.355 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -10.572 -5.024 -9.180 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -11.666 -6.171 -9.929 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -12.161 -5.128 -7.462 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -12.672 -6.749 -7.891 1.00 0.00 H new ATOM 1623 N MET A 107 -7.213 -6.794 -7.499 1.00 0.00 N ATOM 1624 CA MET A 107 -5.974 -6.062 -7.259 1.00 0.00 C ATOM 1625 C MET A 107 -5.487 -5.386 -8.536 1.00 0.00 C ATOM 1626 O MET A 107 -5.591 -5.948 -9.626 1.00 0.00 O ATOM 1627 CB MET A 107 -4.895 -7.005 -6.723 1.00 0.00 C ATOM 1628 CG MET A 107 -5.044 -7.320 -5.243 1.00 0.00 C ATOM 1629 SD MET A 107 -4.197 -8.839 -4.768 1.00 0.00 S ATOM 1630 CE MET A 107 -4.986 -9.190 -3.199 1.00 0.00 C ATOM 0 H MET A 107 -7.084 -7.718 -7.912 1.00 0.00 H new ATOM 0 HA MET A 107 -6.174 -5.291 -6.515 1.00 0.00 H new ATOM 0 HB2 MET A 107 -4.924 -7.936 -7.289 1.00 0.00 H new ATOM 0 HB3 MET A 107 -3.916 -6.558 -6.894 1.00 0.00 H new ATOM 0 HG2 MET A 107 -4.649 -6.490 -4.657 1.00 0.00 H new ATOM 0 HG3 MET A 107 -6.103 -7.407 -4.999 1.00 0.00 H new ATOM 0 HE1 MET A 107 -4.260 -9.635 -2.518 1.00 0.00 H new ATOM 0 HE2 MET A 107 -5.367 -8.264 -2.768 1.00 0.00 H new ATOM 0 HE3 MET A 107 -5.811 -9.885 -3.354 1.00 0.00 H new ATOM 1640 N SER A 108 -4.954 -4.176 -8.394 1.00 0.00 N ATOM 1641 CA SER A 108 -4.454 -3.422 -9.537 1.00 0.00 C ATOM 1642 C SER A 108 -3.101 -3.960 -9.993 1.00 0.00 C ATOM 1643 O SER A 108 -2.476 -4.763 -9.301 1.00 0.00 O ATOM 1644 CB SER A 108 -4.333 -1.939 -9.183 1.00 0.00 C ATOM 1645 OG SER A 108 -3.514 -1.753 -8.041 1.00 0.00 O ATOM 0 H SER A 108 -4.858 -3.697 -7.498 1.00 0.00 H new ATOM 0 HA SER A 108 -5.165 -3.536 -10.355 1.00 0.00 H new ATOM 0 HB2 SER A 108 -3.914 -1.393 -10.028 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.324 -1.524 -8.996 1.00 0.00 H new ATOM 0 HG SER A 108 -4.044 -1.903 -7.230 1.00 0.00 H new ATOM 1651 N GLU A 109 -2.656 -3.511 -11.162 1.00 0.00 N ATOM 1652 CA GLU A 109 -1.378 -3.947 -11.712 1.00 0.00 C ATOM 1653 C GLU A 109 -0.238 -3.643 -10.744 1.00 0.00 C ATOM 1654 O GLU A 109 -0.291 -2.672 -9.991 1.00 0.00 O ATOM 1655 CB GLU A 109 -1.116 -3.266 -13.056 1.00 0.00 C ATOM 1656 CG GLU A 109 -1.995 -3.784 -14.183 1.00 0.00 C ATOM 1657 CD GLU A 109 -1.412 -3.502 -15.554 1.00 0.00 C ATOM 1658 OE1 GLU A 109 -0.390 -4.126 -15.905 1.00 0.00 O ATOM 1659 OE2 GLU A 109 -1.980 -2.656 -16.276 1.00 0.00 O ATOM 0 H GLU A 109 -3.162 -2.845 -11.747 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.426 -5.025 -11.864 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -1.274 -2.193 -12.947 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.070 -3.408 -13.328 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.134 -4.859 -14.066 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -2.981 -3.325 -14.110 1.00 0.00 H new ATOM 1666 N ALA A 110 0.793 -4.482 -10.771 1.00 0.00 N ATOM 1667 CA ALA A 110 1.947 -4.303 -9.899 1.00 0.00 C ATOM 1668 C ALA A 110 2.672 -2.998 -10.209 1.00 0.00 C ATOM 1669 O ALA A 110 3.239 -2.832 -11.289 1.00 0.00 O ATOM 1670 CB ALA A 110 2.898 -5.482 -10.033 1.00 0.00 C ATOM 0 H ALA A 110 0.852 -5.292 -11.388 1.00 0.00 H new ATOM 0 HA ALA A 110 1.590 -4.254 -8.870 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.755 -5.335 -9.376 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.381 -6.400 -9.754 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.241 -5.558 -11.065 1.00 0.00 H new ATOM 1676 N VAL A 111 2.651 -2.072 -9.255 1.00 0.00 N ATOM 1677 CA VAL A 111 3.307 -0.782 -9.426 1.00 0.00 C ATOM 1678 C VAL A 111 4.794 -0.874 -9.102 1.00 0.00 C ATOM 1679 O VAL A 111 5.178 -1.027 -7.943 1.00 0.00 O ATOM 1680 CB VAL A 111 2.664 0.297 -8.534 1.00 0.00 C ATOM 1681 CG1 VAL A 111 3.478 1.582 -8.580 1.00 0.00 C ATOM 1682 CG2 VAL A 111 1.226 0.552 -8.959 1.00 0.00 C ATOM 0 H VAL A 111 2.186 -2.192 -8.355 1.00 0.00 H new ATOM 0 HA VAL A 111 3.183 -0.500 -10.472 1.00 0.00 H new ATOM 0 HB VAL A 111 2.656 -0.064 -7.505 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.009 2.333 -7.944 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.489 1.385 -8.224 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.520 1.950 -9.605 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.787 1.317 -8.318 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.207 0.892 -9.995 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.651 -0.370 -8.869 1.00 0.00 H new ATOM 1692 N GLN A 112 5.625 -0.780 -10.135 1.00 0.00 N ATOM 1693 CA GLN A 112 7.071 -0.853 -9.960 1.00 0.00 C ATOM 1694 C GLN A 112 7.657 0.529 -9.690 1.00 0.00 C ATOM 1695 O GLN A 112 7.578 1.423 -10.533 1.00 0.00 O ATOM 1696 CB GLN A 112 7.726 -1.465 -11.199 1.00 0.00 C ATOM 1697 CG GLN A 112 9.198 -1.794 -11.010 1.00 0.00 C ATOM 1698 CD GLN A 112 9.841 -2.338 -12.271 1.00 0.00 C ATOM 1699 OE1 GLN A 112 9.406 -3.353 -12.815 1.00 0.00 O ATOM 1700 NE2 GLN A 112 10.883 -1.663 -12.742 1.00 0.00 N ATOM 0 H GLN A 112 5.322 -0.653 -11.101 1.00 0.00 H new ATOM 0 HA GLN A 112 7.276 -1.489 -9.099 1.00 0.00 H new ATOM 0 HB2 GLN A 112 7.191 -2.375 -11.470 1.00 0.00 H new ATOM 0 HB3 GLN A 112 7.621 -0.773 -12.034 1.00 0.00 H new ATOM 0 HG2 GLN A 112 9.729 -0.896 -10.694 1.00 0.00 H new ATOM 0 HG3 GLN A 112 9.303 -2.525 -10.209 1.00 0.00 H new ATOM 0 HE21 GLN A 112 11.210 -0.826 -12.258 1.00 0.00 H new ATOM 0 HE22 GLN A 112 11.357 -1.981 -13.587 1.00 0.00 H new ATOM 1709 N PHE A 113 8.246 0.697 -8.511 1.00 0.00 N ATOM 1710 CA PHE A 113 8.844 1.970 -8.129 1.00 0.00 C ATOM 1711 C PHE A 113 10.156 1.752 -7.381 1.00 0.00 C ATOM 1712 O PHE A 113 10.192 1.076 -6.353 1.00 0.00 O ATOM 1713 CB PHE A 113 7.875 2.774 -7.260 1.00 0.00 C ATOM 1714 CG PHE A 113 8.474 4.033 -6.700 1.00 0.00 C ATOM 1715 CD1 PHE A 113 9.124 4.022 -5.477 1.00 0.00 C ATOM 1716 CD2 PHE A 113 8.386 5.226 -7.399 1.00 0.00 C ATOM 1717 CE1 PHE A 113 9.676 5.179 -4.960 1.00 0.00 C ATOM 1718 CE2 PHE A 113 8.937 6.386 -6.887 1.00 0.00 C ATOM 1719 CZ PHE A 113 9.582 6.363 -5.665 1.00 0.00 C ATOM 0 H PHE A 113 8.322 -0.033 -7.803 1.00 0.00 H new ATOM 0 HA PHE A 113 9.054 2.531 -9.039 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.997 3.031 -7.852 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.532 2.147 -6.437 1.00 0.00 H new ATOM 0 HD1 PHE A 113 9.200 3.099 -4.921 1.00 0.00 H new ATOM 0 HD2 PHE A 113 7.882 5.250 -8.354 1.00 0.00 H new ATOM 0 HE1 PHE A 113 10.181 5.157 -4.005 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.863 7.310 -7.442 1.00 0.00 H new ATOM 0 HZ PHE A 113 10.011 7.268 -5.262 1.00 0.00 H new ATOM 1729 N ARG A 114 11.232 2.330 -7.905 1.00 0.00 N ATOM 1730 CA ARG A 114 12.547 2.198 -7.288 1.00 0.00 C ATOM 1731 C ARG A 114 12.684 3.138 -6.094 1.00 0.00 C ATOM 1732 O ARG A 114 12.153 4.249 -6.099 1.00 0.00 O ATOM 1733 CB ARG A 114 13.646 2.492 -8.311 1.00 0.00 C ATOM 1734 CG ARG A 114 14.970 1.819 -7.993 1.00 0.00 C ATOM 1735 CD ARG A 114 15.770 1.537 -9.256 1.00 0.00 C ATOM 1736 NE ARG A 114 17.204 1.459 -8.990 1.00 0.00 N ATOM 1737 CZ ARG A 114 18.115 1.244 -9.932 1.00 0.00 C ATOM 1738 NH1 ARG A 114 17.744 1.087 -11.195 1.00 0.00 N ATOM 1739 NH2 ARG A 114 19.401 1.186 -9.611 1.00 0.00 N ATOM 0 H ARG A 114 11.219 2.894 -8.755 1.00 0.00 H new ATOM 0 HA ARG A 114 12.654 1.172 -6.935 1.00 0.00 H new ATOM 0 HB2 ARG A 114 13.310 2.167 -9.296 1.00 0.00 H new ATOM 0 HB3 ARG A 114 13.800 3.570 -8.366 1.00 0.00 H new ATOM 0 HG2 ARG A 114 15.552 2.456 -7.327 1.00 0.00 H new ATOM 0 HG3 ARG A 114 14.786 0.885 -7.461 1.00 0.00 H new ATOM 0 HD2 ARG A 114 15.432 0.600 -9.697 1.00 0.00 H new ATOM 0 HD3 ARG A 114 15.579 2.321 -9.988 1.00 0.00 H new ATOM 0 HE ARG A 114 17.523 1.576 -8.028 1.00 0.00 H new ATOM 0 HH11 ARG A 114 16.756 1.131 -11.446 1.00 0.00 H new ATOM 0 HH12 ARG A 114 18.446 0.922 -11.916 1.00 0.00 H new ATOM 0 HH21 ARG A 114 19.690 1.307 -8.640 1.00 0.00 H new ATOM 0 HH22 ARG A 114 20.100 1.021 -10.335 1.00 0.00 H new ATOM 1753 N THR A 115 13.400 2.684 -5.070 1.00 0.00 N ATOM 1754 CA THR A 115 13.606 3.483 -3.868 1.00 0.00 C ATOM 1755 C THR A 115 14.691 4.532 -4.084 1.00 0.00 C ATOM 1756 O THR A 115 15.603 4.359 -4.892 1.00 0.00 O ATOM 1757 CB THR A 115 13.994 2.600 -2.667 1.00 0.00 C ATOM 1758 OG1 THR A 115 14.952 1.616 -3.070 1.00 0.00 O ATOM 1759 CG2 THR A 115 12.768 1.913 -2.083 1.00 0.00 C ATOM 0 H THR A 115 13.847 1.767 -5.049 1.00 0.00 H new ATOM 0 HA THR A 115 12.660 3.981 -3.654 1.00 0.00 H new ATOM 0 HB THR A 115 14.433 3.239 -1.901 1.00 0.00 H new ATOM 0 HG1 THR A 115 14.582 0.720 -2.924 1.00 0.00 H new ATOM 0 HG21 THR A 115 13.066 1.295 -1.236 1.00 0.00 H new ATOM 0 HG22 THR A 115 12.054 2.666 -1.749 1.00 0.00 H new ATOM 0 HG23 THR A 115 12.305 1.286 -2.845 1.00 0.00 H new ATOM 1767 N PRO A 116 14.592 5.647 -3.345 1.00 0.00 N ATOM 1768 CA PRO A 116 15.558 6.746 -3.438 1.00 0.00 C ATOM 1769 C PRO A 116 16.920 6.370 -2.866 1.00 0.00 C ATOM 1770 O PRO A 116 17.218 5.192 -2.665 1.00 0.00 O ATOM 1771 CB PRO A 116 14.914 7.855 -2.602 1.00 0.00 C ATOM 1772 CG PRO A 116 14.032 7.139 -1.638 1.00 0.00 C ATOM 1773 CD PRO A 116 13.530 5.921 -2.362 1.00 0.00 C ATOM 0 HA PRO A 116 15.753 7.031 -4.472 1.00 0.00 H new ATOM 0 HB2 PRO A 116 15.667 8.448 -2.084 1.00 0.00 H new ATOM 0 HB3 PRO A 116 14.343 8.541 -3.227 1.00 0.00 H new ATOM 0 HG2 PRO A 116 14.582 6.860 -0.739 1.00 0.00 H new ATOM 0 HG3 PRO A 116 13.204 7.773 -1.321 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.385 5.081 -1.683 1.00 0.00 H new ATOM 0 HD3 PRO A 116 12.572 6.108 -2.847 1.00 0.00 H new ATOM 1781 N LYS A 117 17.746 7.378 -2.604 1.00 0.00 N ATOM 1782 CA LYS A 117 19.077 7.154 -2.053 1.00 0.00 C ATOM 1783 C LYS A 117 19.381 8.155 -0.942 1.00 0.00 C ATOM 1784 O LYS A 117 18.738 9.199 -0.842 1.00 0.00 O ATOM 1785 CB LYS A 117 20.133 7.264 -3.156 1.00 0.00 C ATOM 1786 CG LYS A 117 20.006 6.194 -4.227 1.00 0.00 C ATOM 1787 CD LYS A 117 20.889 4.995 -3.925 1.00 0.00 C ATOM 1788 CE LYS A 117 20.523 4.355 -2.595 1.00 0.00 C ATOM 1789 NZ LYS A 117 21.264 3.083 -2.368 1.00 0.00 N ATOM 0 H LYS A 117 17.516 8.359 -2.765 1.00 0.00 H new ATOM 0 HA LYS A 117 19.104 6.149 -1.631 1.00 0.00 H new ATOM 0 HB2 LYS A 117 20.057 8.246 -3.624 1.00 0.00 H new ATOM 0 HB3 LYS A 117 21.124 7.201 -2.707 1.00 0.00 H new ATOM 0 HG2 LYS A 117 18.967 5.873 -4.300 1.00 0.00 H new ATOM 0 HG3 LYS A 117 20.279 6.613 -5.195 1.00 0.00 H new ATOM 0 HD2 LYS A 117 20.791 4.259 -4.723 1.00 0.00 H new ATOM 0 HD3 LYS A 117 21.933 5.307 -3.905 1.00 0.00 H new ATOM 0 HE2 LYS A 117 20.740 5.051 -1.785 1.00 0.00 H new ATOM 0 HE3 LYS A 117 19.451 4.160 -2.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 20.589 2.293 -2.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 21.924 2.921 -3.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 21.796 3.146 -1.477 1.00 0.00 H new ATOM 1803 N ALA A 118 20.365 7.828 -0.111 1.00 0.00 N ATOM 1804 CA ALA A 118 20.756 8.699 0.990 1.00 0.00 C ATOM 1805 C ALA A 118 21.448 9.957 0.475 1.00 0.00 C ATOM 1806 O ALA A 118 20.989 11.073 0.718 1.00 0.00 O ATOM 1807 CB ALA A 118 21.664 7.953 1.957 1.00 0.00 C ATOM 0 H ALA A 118 20.906 6.966 -0.180 1.00 0.00 H new ATOM 0 HA ALA A 118 19.853 9.003 1.519 1.00 0.00 H new ATOM 0 HB1 ALA A 118 21.948 8.616 2.774 1.00 0.00 H new ATOM 0 HB2 ALA A 118 21.136 7.088 2.358 1.00 0.00 H new ATOM 0 HB3 ALA A 118 22.559 7.620 1.432 1.00 0.00 H new