USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=30 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 13:sc= -0.12 USER MOD Set 1.2: A 97 GLN : amide:sc= -3.18! C(o=-3.9!,f=-5.4!) USER MOD Set 1.3: A 107 MET CE :methyl -124:sc= -0.594 (180deg=-3.13!) USER MOD Set 2.1: A 93 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 112 GLN : amide:sc= 0 X(o=0,f=0.083) USER MOD Set 3.1: A 87 THR OG1 : rot -178:sc= 0.987 USER MOD Set 3.2: A 92 TYR OH : rot 64:sc= 1.16 USER MOD Set 4.1: A 80 THR OG1 : rot 180:sc= -0.181 USER MOD Set 4.2: A 82 GLN : amide:sc= -0.83 K(o=-1,f=-2.8) USER MOD Set 5.1: A 36 THR OG1 : rot -10:sc= -0.132 USER MOD Set 5.2: A 84 GLN : amide:sc= 0.455 X(o=0.32,f=0.71) USER MOD Set 6.1: A 26 THR OG1 : rot 180:sc= -0.189 USER MOD Set 6.2: A 40 ASN : amide:sc=-0.00308 K(o=-0.19,f=-1.8!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.407 USER MOD Single : A 23 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0596) USER MOD Single : A 29 SER OG : rot 36:sc= 0.147 USER MOD Single : A 30 LYS NZ :NH3+ 157:sc=-0.000693 (180deg=-0.19) USER MOD Single : A 33 LYS NZ :NH3+ -149:sc= -0.0997 (180deg=-0.617) USER MOD Single : A 35 LYS NZ :NH3+ -112:sc= -0.406 (180deg=-1.67!) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.49 X(o=-1.5,f=-1.8!) USER MOD Single : A 50 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0514) USER MOD Single : A 52 THR OG1 : rot -31:sc= 0.303 USER MOD Single : A 54 TYR OH : rot 0:sc= -1.33! 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 :FLIP amide:sc= -1.64! C(o=-2.9!,f=-1.6!) USER MOD Single : A 67 HIS : no HD1:sc= -1.82 K(o=-1.8,f=-2.9!) USER MOD Single : A 77 ASN :FLIP amide:sc= -1.05 F(o=-1.7!,f=-1.1) USER MOD Single : A 81 HIS : no HD1:sc= -0.0601 X(o=-0.06,f=-0.19) USER MOD Single : A 90 THR OG1 : rot 83:sc= 1.12 USER MOD Single : A 95 LYS NZ :NH3+ 177:sc= -4.69! (180deg=-4.81!) USER MOD Single : A 100 ASN : amide:sc= 0.135 K(o=0.13,f=-7.6!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot -86:sc= 0.163 USER MOD Single : A 115 THR OG1 : rot -129:sc= -0.655 USER MOD Single : A 117 LYS NZ :NH3+ -123:sc= -1.87 (180deg=-3.45) USER MOD ----------------------------------------------------------------- ATOM 178 N LEU A 16 -22.672 -4.267 -3.525 1.00 0.00 N ATOM 179 CA LEU A 16 -21.899 -4.940 -4.563 1.00 0.00 C ATOM 180 C LEU A 16 -20.428 -4.544 -4.491 1.00 0.00 C ATOM 181 O LEU A 16 -20.064 -3.409 -4.800 1.00 0.00 O ATOM 182 CB LEU A 16 -22.463 -4.604 -5.945 1.00 0.00 C ATOM 183 CG LEU A 16 -23.851 -5.163 -6.258 1.00 0.00 C ATOM 184 CD1 LEU A 16 -24.232 -4.870 -7.701 1.00 0.00 C ATOM 185 CD2 LEU A 16 -23.897 -6.660 -5.986 1.00 0.00 C ATOM 0 HA LEU A 16 -21.974 -6.015 -4.398 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -22.499 -3.519 -6.047 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -21.767 -4.972 -6.699 1.00 0.00 H new ATOM 0 HG LEU A 16 -24.574 -4.673 -5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -25.223 -5.275 -7.905 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -24.240 -3.792 -7.863 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -23.506 -5.332 -8.370 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -24.892 -7.041 -6.214 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -23.162 -7.166 -6.612 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -23.669 -6.846 -4.936 1.00 0.00 H new ATOM 197 N VAL A 17 -19.586 -5.488 -4.084 1.00 0.00 N ATOM 198 CA VAL A 17 -18.153 -5.239 -3.975 1.00 0.00 C ATOM 199 C VAL A 17 -17.619 -4.549 -5.225 1.00 0.00 C ATOM 200 O VAL A 17 -18.150 -4.703 -6.325 1.00 0.00 O ATOM 201 CB VAL A 17 -17.371 -6.547 -3.750 1.00 0.00 C ATOM 202 CG1 VAL A 17 -17.673 -7.120 -2.374 1.00 0.00 C ATOM 203 CG2 VAL A 17 -17.698 -7.556 -4.840 1.00 0.00 C ATOM 0 H VAL A 17 -19.871 -6.432 -3.824 1.00 0.00 H new ATOM 0 HA VAL A 17 -18.010 -4.587 -3.114 1.00 0.00 H new ATOM 0 HB VAL A 17 -16.305 -6.326 -3.799 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -17.112 -8.044 -2.233 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.384 -6.400 -1.609 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -18.740 -7.328 -2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -17.137 -8.474 -4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -18.766 -7.775 -4.825 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -17.426 -7.143 -5.811 1.00 0.00 H new ATOM 213 N PRO A 18 -16.541 -3.769 -5.055 1.00 0.00 N ATOM 214 CA PRO A 18 -15.909 -3.039 -6.158 1.00 0.00 C ATOM 215 C PRO A 18 -15.203 -3.969 -7.139 1.00 0.00 C ATOM 216 O PRO A 18 -14.096 -4.441 -6.876 1.00 0.00 O ATOM 217 CB PRO A 18 -14.895 -2.136 -5.452 1.00 0.00 C ATOM 218 CG PRO A 18 -14.588 -2.838 -4.175 1.00 0.00 C ATOM 219 CD PRO A 18 -15.856 -3.539 -3.772 1.00 0.00 C ATOM 0 HA PRO A 18 -16.639 -2.495 -6.758 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -13.997 -2.001 -6.055 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.308 -1.144 -5.269 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -13.774 -3.550 -4.307 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -14.272 -2.131 -3.408 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.650 -4.475 -3.253 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.457 -2.927 -3.099 1.00 0.00 H new ATOM 227 N THR A 19 -15.849 -4.229 -8.271 1.00 0.00 N ATOM 228 CA THR A 19 -15.282 -5.104 -9.291 1.00 0.00 C ATOM 229 C THR A 19 -14.288 -4.353 -10.168 1.00 0.00 C ATOM 230 O THR A 19 -13.875 -4.847 -11.218 1.00 0.00 O ATOM 231 CB THR A 19 -16.381 -5.711 -10.183 1.00 0.00 C ATOM 232 OG1 THR A 19 -16.811 -4.750 -11.154 1.00 0.00 O ATOM 233 CG2 THR A 19 -17.570 -6.162 -9.347 1.00 0.00 C ATOM 0 H THR A 19 -16.765 -3.846 -8.505 1.00 0.00 H new ATOM 0 HA THR A 19 -14.765 -5.908 -8.767 1.00 0.00 H new ATOM 0 HB THR A 19 -15.965 -6.580 -10.692 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.509 -5.145 -11.718 1.00 0.00 H new ATOM 0 HG21 THR A 19 -18.333 -6.587 -9.999 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.245 -6.915 -8.629 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.985 -5.307 -8.813 1.00 0.00 H new ATOM 241 N SER A 20 -13.907 -3.156 -9.733 1.00 0.00 N ATOM 242 CA SER A 20 -12.962 -2.335 -10.481 1.00 0.00 C ATOM 243 C SER A 20 -11.844 -1.830 -9.575 1.00 0.00 C ATOM 244 O SER A 20 -12.069 -1.435 -8.431 1.00 0.00 O ATOM 245 CB SER A 20 -13.684 -1.151 -11.128 1.00 0.00 C ATOM 246 OG SER A 20 -12.866 -0.525 -12.101 1.00 0.00 O ATOM 0 H SER A 20 -14.238 -2.733 -8.866 1.00 0.00 H new ATOM 0 HA SER A 20 -12.520 -2.954 -11.262 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.609 -1.494 -11.592 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.962 -0.427 -10.362 1.00 0.00 H new ATOM 0 HG SER A 20 -13.351 0.227 -12.501 1.00 0.00 H new ATOM 252 N PRO A 21 -10.609 -1.843 -10.097 1.00 0.00 N ATOM 253 CA PRO A 21 -9.430 -1.390 -9.353 1.00 0.00 C ATOM 254 C PRO A 21 -9.427 0.119 -9.135 1.00 0.00 C ATOM 255 O PRO A 21 -10.195 0.861 -9.749 1.00 0.00 O ATOM 256 CB PRO A 21 -8.262 -1.802 -10.253 1.00 0.00 C ATOM 257 CG PRO A 21 -8.842 -1.856 -11.625 1.00 0.00 C ATOM 258 CD PRO A 21 -10.268 -2.302 -11.454 1.00 0.00 C ATOM 0 HA PRO A 21 -9.389 -1.822 -8.353 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.445 -1.082 -10.196 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.856 -2.769 -9.957 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.794 -0.880 -12.108 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.288 -2.552 -12.256 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.921 -1.857 -12.205 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.365 -3.384 -11.548 1.00 0.00 H new ATOM 266 N PRO A 22 -8.544 0.587 -8.240 1.00 0.00 N ATOM 267 CA PRO A 22 -8.420 2.013 -7.922 1.00 0.00 C ATOM 268 C PRO A 22 -7.826 2.815 -9.074 1.00 0.00 C ATOM 269 O PRO A 22 -7.277 2.250 -10.020 1.00 0.00 O ATOM 270 CB PRO A 22 -7.475 2.026 -6.718 1.00 0.00 C ATOM 271 CG PRO A 22 -6.679 0.774 -6.848 1.00 0.00 C ATOM 272 CD PRO A 22 -7.598 -0.239 -7.472 1.00 0.00 C ATOM 0 HA PRO A 22 -9.389 2.473 -7.727 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.833 2.906 -6.728 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -8.029 2.047 -5.780 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.797 0.935 -7.468 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -6.326 0.433 -5.875 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.055 -0.932 -8.115 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -8.108 -0.838 -6.717 1.00 0.00 H new ATOM 280 N LYS A 23 -7.939 4.136 -8.989 1.00 0.00 N ATOM 281 CA LYS A 23 -7.411 5.018 -10.024 1.00 0.00 C ATOM 282 C LYS A 23 -6.307 5.911 -9.467 1.00 0.00 C ATOM 283 O LYS A 23 -5.934 5.798 -8.299 1.00 0.00 O ATOM 284 CB LYS A 23 -8.532 5.879 -10.609 1.00 0.00 C ATOM 285 CG LYS A 23 -9.827 5.119 -10.840 1.00 0.00 C ATOM 286 CD LYS A 23 -10.828 5.948 -11.627 1.00 0.00 C ATOM 287 CE LYS A 23 -10.449 6.032 -13.097 1.00 0.00 C ATOM 288 NZ LYS A 23 -10.715 4.754 -13.813 1.00 0.00 N ATOM 0 H LYS A 23 -8.392 4.620 -8.214 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.988 4.398 -10.814 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.726 6.714 -9.936 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.196 6.304 -11.555 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.616 4.195 -11.378 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.261 4.838 -9.880 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.821 5.509 -11.531 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.881 6.952 -11.206 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.010 6.837 -13.571 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.392 6.285 -13.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.605 4.900 -14.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.041 4.030 -13.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.685 4.438 -13.610 1.00 0.00 H new ATOM 302 N ASP A 24 -5.789 6.798 -10.309 1.00 0.00 N ATOM 303 CA ASP A 24 -4.730 7.713 -9.900 1.00 0.00 C ATOM 304 C ASP A 24 -3.712 7.003 -9.013 1.00 0.00 C ATOM 305 O ASP A 24 -3.347 7.501 -7.948 1.00 0.00 O ATOM 306 CB ASP A 24 -5.321 8.914 -9.160 1.00 0.00 C ATOM 307 CG ASP A 24 -5.786 10.004 -10.104 1.00 0.00 C ATOM 308 OD1 ASP A 24 -6.755 9.765 -10.856 1.00 0.00 O ATOM 309 OD2 ASP A 24 -5.183 11.097 -10.091 1.00 0.00 O ATOM 0 H ASP A 24 -6.085 6.903 -11.279 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.221 8.065 -10.797 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.161 8.583 -8.550 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.573 9.321 -8.479 1.00 0.00 H new ATOM 314 N VAL A 25 -3.258 5.836 -9.459 1.00 0.00 N ATOM 315 CA VAL A 25 -2.282 5.057 -8.705 1.00 0.00 C ATOM 316 C VAL A 25 -0.871 5.593 -8.916 1.00 0.00 C ATOM 317 O VAL A 25 -0.307 5.480 -10.005 1.00 0.00 O ATOM 318 CB VAL A 25 -2.320 3.570 -9.107 1.00 0.00 C ATOM 319 CG1 VAL A 25 -1.115 2.834 -8.543 1.00 0.00 C ATOM 320 CG2 VAL A 25 -3.616 2.925 -8.639 1.00 0.00 C ATOM 0 H VAL A 25 -3.550 5.409 -10.338 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.549 5.148 -7.652 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.280 3.504 -10.194 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.159 1.785 -8.837 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.200 3.282 -8.932 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.121 2.906 -7.455 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.626 1.875 -8.931 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.689 3.000 -7.554 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.463 3.437 -9.096 1.00 0.00 H new ATOM 330 N THR A 26 -0.303 6.178 -7.865 1.00 0.00 N ATOM 331 CA THR A 26 1.043 6.732 -7.935 1.00 0.00 C ATOM 332 C THR A 26 1.831 6.424 -6.666 1.00 0.00 C ATOM 333 O THR A 26 1.256 6.268 -5.589 1.00 0.00 O ATOM 334 CB THR A 26 1.012 8.257 -8.148 1.00 0.00 C ATOM 335 OG1 THR A 26 0.177 8.873 -7.160 1.00 0.00 O ATOM 336 CG2 THR A 26 0.498 8.599 -9.538 1.00 0.00 C ATOM 0 H THR A 26 -0.755 6.280 -6.956 1.00 0.00 H new ATOM 0 HA THR A 26 1.534 6.263 -8.788 1.00 0.00 H new ATOM 0 HB THR A 26 2.029 8.636 -8.051 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.164 9.843 -7.301 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.485 9.681 -9.665 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.152 8.153 -10.288 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.512 8.207 -9.659 1.00 0.00 H new ATOM 344 N VAL A 27 3.150 6.336 -6.801 1.00 0.00 N ATOM 345 CA VAL A 27 4.017 6.048 -5.665 1.00 0.00 C ATOM 346 C VAL A 27 5.172 7.041 -5.589 1.00 0.00 C ATOM 347 O VAL A 27 6.104 6.988 -6.391 1.00 0.00 O ATOM 348 CB VAL A 27 4.588 4.619 -5.743 1.00 0.00 C ATOM 349 CG1 VAL A 27 5.438 4.316 -4.519 1.00 0.00 C ATOM 350 CG2 VAL A 27 3.463 3.605 -5.885 1.00 0.00 C ATOM 0 H VAL A 27 3.642 6.460 -7.686 1.00 0.00 H new ATOM 0 HA VAL A 27 3.404 6.139 -4.768 1.00 0.00 H new ATOM 0 HB VAL A 27 5.225 4.548 -6.624 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.833 3.303 -4.592 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.265 5.024 -4.466 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.827 4.404 -3.621 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.883 2.601 -5.939 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.799 3.675 -5.023 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.900 3.812 -6.795 1.00 0.00 H new ATOM 360 N VAL A 28 5.104 7.946 -4.619 1.00 0.00 N ATOM 361 CA VAL A 28 6.144 8.951 -4.436 1.00 0.00 C ATOM 362 C VAL A 28 7.040 8.606 -3.252 1.00 0.00 C ATOM 363 O VAL A 28 6.813 7.616 -2.556 1.00 0.00 O ATOM 364 CB VAL A 28 5.541 10.351 -4.217 1.00 0.00 C ATOM 365 CG1 VAL A 28 4.795 10.812 -5.461 1.00 0.00 C ATOM 366 CG2 VAL A 28 4.622 10.351 -3.005 1.00 0.00 C ATOM 0 H VAL A 28 4.339 8.004 -3.947 1.00 0.00 H new ATOM 0 HA VAL A 28 6.739 8.959 -5.349 1.00 0.00 H new ATOM 0 HB VAL A 28 6.354 11.052 -4.029 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.376 11.803 -5.287 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.484 10.852 -6.305 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.990 10.111 -5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.205 11.348 -2.865 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.813 9.638 -3.162 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.189 10.067 -2.118 1.00 0.00 H new ATOM 376 N SER A 29 8.061 9.428 -3.029 1.00 0.00 N ATOM 377 CA SER A 29 8.994 9.208 -1.931 1.00 0.00 C ATOM 378 C SER A 29 8.933 10.355 -0.928 1.00 0.00 C ATOM 379 O SER A 29 8.627 11.493 -1.286 1.00 0.00 O ATOM 380 CB SER A 29 10.419 9.059 -2.467 1.00 0.00 C ATOM 381 OG SER A 29 10.615 7.781 -3.047 1.00 0.00 O ATOM 0 H SER A 29 8.263 10.252 -3.595 1.00 0.00 H new ATOM 0 HA SER A 29 8.707 8.288 -1.422 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.614 9.833 -3.210 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.133 9.207 -1.657 1.00 0.00 H new ATOM 0 HG SER A 29 9.794 7.499 -3.502 1.00 0.00 H new ATOM 387 N LYS A 30 9.227 10.049 0.331 1.00 0.00 N ATOM 388 CA LYS A 30 9.208 11.053 1.388 1.00 0.00 C ATOM 389 C LYS A 30 10.540 11.792 1.461 1.00 0.00 C ATOM 390 O LYS A 30 11.589 11.230 1.149 1.00 0.00 O ATOM 391 CB LYS A 30 8.903 10.397 2.737 1.00 0.00 C ATOM 392 CG LYS A 30 8.795 11.387 3.884 1.00 0.00 C ATOM 393 CD LYS A 30 7.364 11.858 4.082 1.00 0.00 C ATOM 394 CE LYS A 30 7.269 12.900 5.186 1.00 0.00 C ATOM 395 NZ LYS A 30 7.966 14.163 4.819 1.00 0.00 N ATOM 0 H LYS A 30 9.482 9.112 0.644 1.00 0.00 H new ATOM 0 HA LYS A 30 8.425 11.774 1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.969 9.841 2.658 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.686 9.674 2.965 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.156 10.923 4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.437 12.245 3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.986 12.278 3.150 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.730 11.006 4.328 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.221 13.112 5.396 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.703 12.499 6.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.574 14.950 5.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.982 14.070 5.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.830 14.353 3.806 1.00 0.00 H new ATOM 409 N GLU A 31 10.489 13.054 1.875 1.00 0.00 N ATOM 410 CA GLU A 31 11.693 13.869 1.988 1.00 0.00 C ATOM 411 C GLU A 31 12.396 13.619 3.320 1.00 0.00 C ATOM 412 O GLU A 31 13.498 13.075 3.360 1.00 0.00 O ATOM 413 CB GLU A 31 11.346 15.353 1.853 1.00 0.00 C ATOM 414 CG GLU A 31 12.555 16.271 1.932 1.00 0.00 C ATOM 415 CD GLU A 31 12.171 17.736 2.003 1.00 0.00 C ATOM 416 OE1 GLU A 31 11.638 18.161 3.049 1.00 0.00 O ATOM 417 OE2 GLU A 31 12.404 18.458 1.011 1.00 0.00 O ATOM 0 H GLU A 31 9.628 13.534 2.137 1.00 0.00 H new ATOM 0 HA GLU A 31 12.369 13.587 1.181 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.840 15.514 0.901 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.641 15.626 2.639 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.147 16.011 2.810 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.189 16.107 1.060 1.00 0.00 H new ATOM 424 N GLY A 32 11.748 14.023 4.409 1.00 0.00 N ATOM 425 CA GLY A 32 12.325 13.835 5.727 1.00 0.00 C ATOM 426 C GLY A 32 13.037 12.504 5.864 1.00 0.00 C ATOM 427 O GLY A 32 13.963 12.365 6.664 1.00 0.00 O ATOM 0 H GLY A 32 10.835 14.477 4.402 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.028 14.642 5.931 1.00 0.00 H new ATOM 0 HA3 GLY A 32 11.538 13.901 6.478 1.00 0.00 H new ATOM 431 N LYS A 33 12.603 11.520 5.084 1.00 0.00 N ATOM 432 CA LYS A 33 13.204 10.192 5.121 1.00 0.00 C ATOM 433 C LYS A 33 13.154 9.533 3.746 1.00 0.00 C ATOM 434 O LYS A 33 12.122 9.518 3.076 1.00 0.00 O ATOM 435 CB LYS A 33 12.484 9.312 6.146 1.00 0.00 C ATOM 436 CG LYS A 33 13.415 8.405 6.931 1.00 0.00 C ATOM 437 CD LYS A 33 13.504 7.023 6.306 1.00 0.00 C ATOM 438 CE LYS A 33 13.840 5.963 7.344 1.00 0.00 C ATOM 439 NZ LYS A 33 15.310 5.769 7.483 1.00 0.00 N ATOM 0 H LYS A 33 11.837 11.617 4.418 1.00 0.00 H new ATOM 0 HA LYS A 33 14.248 10.302 5.414 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.940 9.951 6.842 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.744 8.700 5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.409 8.851 6.973 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.060 8.319 7.958 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.556 6.777 5.827 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.265 7.024 5.525 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.419 6.252 8.307 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.374 5.019 7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.507 4.781 7.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 15.776 5.989 6.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 15.675 6.401 8.224 1.00 0.00 H new ATOM 453 N PRO A 34 14.295 8.974 3.315 1.00 0.00 N ATOM 454 CA PRO A 34 14.406 8.302 2.017 1.00 0.00 C ATOM 455 C PRO A 34 13.632 6.989 1.977 1.00 0.00 C ATOM 456 O PRO A 34 12.825 6.759 1.075 1.00 0.00 O ATOM 457 CB PRO A 34 15.908 8.042 1.880 1.00 0.00 C ATOM 458 CG PRO A 34 16.413 7.991 3.280 1.00 0.00 C ATOM 459 CD PRO A 34 15.564 8.955 4.062 1.00 0.00 C ATOM 0 HA PRO A 34 13.988 8.903 1.209 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.102 7.107 1.355 1.00 0.00 H new ATOM 0 HB3 PRO A 34 16.397 8.833 1.312 1.00 0.00 H new ATOM 0 HG2 PRO A 34 16.334 6.983 3.687 1.00 0.00 H new ATOM 0 HG3 PRO A 34 17.465 8.272 3.326 1.00 0.00 H new ATOM 0 HD2 PRO A 34 15.420 8.622 5.090 1.00 0.00 H new ATOM 0 HD3 PRO A 34 16.018 9.945 4.108 1.00 0.00 H new ATOM 467 N LYS A 35 13.882 6.129 2.958 1.00 0.00 N ATOM 468 CA LYS A 35 13.208 4.839 3.037 1.00 0.00 C ATOM 469 C LYS A 35 11.696 5.019 3.125 1.00 0.00 C ATOM 470 O LYS A 35 10.930 4.126 2.761 1.00 0.00 O ATOM 471 CB LYS A 35 13.710 4.050 4.248 1.00 0.00 C ATOM 472 CG LYS A 35 15.221 4.057 4.395 1.00 0.00 C ATOM 473 CD LYS A 35 15.692 2.990 5.369 1.00 0.00 C ATOM 474 CE LYS A 35 17.210 2.912 5.419 1.00 0.00 C ATOM 475 NZ LYS A 35 17.764 2.134 4.276 1.00 0.00 N ATOM 0 H LYS A 35 14.548 6.303 3.711 1.00 0.00 H new ATOM 0 HA LYS A 35 13.438 4.282 2.129 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.264 4.465 5.152 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.366 3.019 4.167 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.683 3.892 3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.549 5.037 4.741 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.305 3.208 6.364 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.286 2.022 5.074 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.626 3.919 5.408 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.519 2.450 6.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.178 1.247 4.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.002 1.917 3.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 18.499 2.694 3.799 1.00 0.00 H new ATOM 489 N THR A 36 11.270 6.182 3.610 1.00 0.00 N ATOM 490 CA THR A 36 9.850 6.479 3.746 1.00 0.00 C ATOM 491 C THR A 36 9.249 6.911 2.413 1.00 0.00 C ATOM 492 O THR A 36 9.839 7.709 1.685 1.00 0.00 O ATOM 493 CB THR A 36 9.606 7.586 4.789 1.00 0.00 C ATOM 494 OG1 THR A 36 10.087 7.167 6.071 1.00 0.00 O ATOM 495 CG2 THR A 36 8.125 7.923 4.883 1.00 0.00 C ATOM 0 H THR A 36 11.889 6.933 3.915 1.00 0.00 H new ATOM 0 HA THR A 36 9.365 5.562 4.080 1.00 0.00 H new ATOM 0 HB THR A 36 10.147 8.478 4.473 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.317 6.215 6.039 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.977 8.707 5.626 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.768 8.270 3.913 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.568 7.034 5.178 1.00 0.00 H new ATOM 503 N ILE A 37 8.072 6.379 2.101 1.00 0.00 N ATOM 504 CA ILE A 37 7.390 6.712 0.856 1.00 0.00 C ATOM 505 C ILE A 37 5.901 6.939 1.089 1.00 0.00 C ATOM 506 O ILE A 37 5.375 6.632 2.159 1.00 0.00 O ATOM 507 CB ILE A 37 7.571 5.603 -0.198 1.00 0.00 C ATOM 508 CG1 ILE A 37 6.980 4.286 0.310 1.00 0.00 C ATOM 509 CG2 ILE A 37 9.043 5.432 -0.540 1.00 0.00 C ATOM 510 CD1 ILE A 37 6.558 3.347 -0.798 1.00 0.00 C ATOM 0 H ILE A 37 7.571 5.716 2.693 1.00 0.00 H new ATOM 0 HA ILE A 37 7.841 7.632 0.485 1.00 0.00 H new ATOM 0 HB ILE A 37 7.039 5.893 -1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.716 3.785 0.939 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.117 4.503 0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.154 4.645 -1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.435 6.368 -0.939 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.596 5.161 0.359 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.148 2.434 -0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.799 3.829 -1.414 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.422 3.100 -1.415 1.00 0.00 H new ATOM 522 N ILE A 38 5.225 7.477 0.078 1.00 0.00 N ATOM 523 CA ILE A 38 3.795 7.742 0.172 1.00 0.00 C ATOM 524 C ILE A 38 3.068 7.291 -1.090 1.00 0.00 C ATOM 525 O ILE A 38 3.315 7.808 -2.180 1.00 0.00 O ATOM 526 CB ILE A 38 3.514 9.239 0.405 1.00 0.00 C ATOM 527 CG1 ILE A 38 4.211 9.718 1.680 1.00 0.00 C ATOM 528 CG2 ILE A 38 2.016 9.490 0.487 1.00 0.00 C ATOM 529 CD1 ILE A 38 5.639 10.165 1.457 1.00 0.00 C ATOM 0 H ILE A 38 5.645 7.737 -0.814 1.00 0.00 H new ATOM 0 HA ILE A 38 3.424 7.173 1.025 1.00 0.00 H new ATOM 0 HB ILE A 38 3.911 9.804 -0.438 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.643 10.545 2.106 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.202 8.912 2.414 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.833 10.552 0.652 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.544 9.181 -0.446 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.596 8.917 1.314 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.070 10.491 2.403 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.222 9.334 1.059 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.655 10.992 0.747 1.00 0.00 H new ATOM 541 N VAL A 39 2.170 6.324 -0.935 1.00 0.00 N ATOM 542 CA VAL A 39 1.404 5.804 -2.062 1.00 0.00 C ATOM 543 C VAL A 39 0.054 6.503 -2.178 1.00 0.00 C ATOM 544 O VAL A 39 -0.806 6.363 -1.310 1.00 0.00 O ATOM 545 CB VAL A 39 1.174 4.287 -1.933 1.00 0.00 C ATOM 546 CG1 VAL A 39 0.320 3.775 -3.082 1.00 0.00 C ATOM 547 CG2 VAL A 39 2.504 3.550 -1.877 1.00 0.00 C ATOM 0 H VAL A 39 1.955 5.884 -0.040 1.00 0.00 H new ATOM 0 HA VAL A 39 1.990 6.000 -2.960 1.00 0.00 H new ATOM 0 HB VAL A 39 0.639 4.097 -1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.169 2.701 -2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.646 4.280 -3.071 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.824 3.976 -4.027 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.323 2.479 -1.786 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.067 3.746 -2.789 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.076 3.896 -1.016 1.00 0.00 H new ATOM 557 N ASN A 40 -0.125 7.257 -3.258 1.00 0.00 N ATOM 558 CA ASN A 40 -1.371 7.979 -3.489 1.00 0.00 C ATOM 559 C ASN A 40 -2.265 7.222 -4.466 1.00 0.00 C ATOM 560 O ASN A 40 -1.789 6.664 -5.455 1.00 0.00 O ATOM 561 CB ASN A 40 -1.080 9.381 -4.027 1.00 0.00 C ATOM 562 CG ASN A 40 0.223 9.946 -3.496 1.00 0.00 C ATOM 563 OD1 ASN A 40 1.300 9.636 -4.006 1.00 0.00 O ATOM 564 ND2 ASN A 40 0.131 10.778 -2.466 1.00 0.00 N ATOM 0 H ASN A 40 0.577 7.384 -3.987 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.895 8.064 -2.537 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.042 9.348 -5.116 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.899 10.048 -3.757 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.974 11.189 -2.065 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.783 11.007 -2.075 1.00 0.00 H new ATOM 571 N TRP A 41 -3.562 7.208 -4.183 1.00 0.00 N ATOM 572 CA TRP A 41 -4.524 6.520 -5.037 1.00 0.00 C ATOM 573 C TRP A 41 -5.932 7.062 -4.819 1.00 0.00 C ATOM 574 O TRP A 41 -6.166 7.854 -3.906 1.00 0.00 O ATOM 575 CB TRP A 41 -4.495 5.015 -4.764 1.00 0.00 C ATOM 576 CG TRP A 41 -5.036 4.646 -3.416 1.00 0.00 C ATOM 577 CD1 TRP A 41 -6.343 4.418 -3.091 1.00 0.00 C ATOM 578 CD2 TRP A 41 -4.284 4.465 -2.211 1.00 0.00 C ATOM 579 NE1 TRP A 41 -6.448 4.106 -1.757 1.00 0.00 N ATOM 580 CE2 TRP A 41 -5.199 4.127 -1.195 1.00 0.00 C ATOM 581 CE3 TRP A 41 -2.926 4.553 -1.892 1.00 0.00 C ATOM 582 CZ2 TRP A 41 -4.799 3.879 0.115 1.00 0.00 C ATOM 583 CZ3 TRP A 41 -2.530 4.307 -0.591 1.00 0.00 C ATOM 584 CH2 TRP A 41 -3.463 3.972 0.399 1.00 0.00 C ATOM 0 H TRP A 41 -3.972 7.665 -3.369 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.243 6.699 -6.075 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -5.073 4.502 -5.533 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.468 4.658 -4.846 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.172 4.475 -3.781 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.316 3.893 -1.265 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.199 4.809 -2.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.517 3.622 0.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.483 4.374 -0.333 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.122 3.783 1.406 1.00 0.00 H new ATOM 595 N GLN A 42 -6.865 6.631 -5.661 1.00 0.00 N ATOM 596 CA GLN A 42 -8.250 7.075 -5.558 1.00 0.00 C ATOM 597 C GLN A 42 -9.211 5.900 -5.712 1.00 0.00 C ATOM 598 O GLN A 42 -8.858 4.841 -6.232 1.00 0.00 O ATOM 599 CB GLN A 42 -8.548 8.135 -6.620 1.00 0.00 C ATOM 600 CG GLN A 42 -8.274 9.556 -6.155 1.00 0.00 C ATOM 601 CD GLN A 42 -9.169 10.575 -6.832 1.00 0.00 C ATOM 602 OE1 GLN A 42 -8.876 11.041 -7.933 1.00 0.00 O ATOM 603 NE2 GLN A 42 -10.268 10.926 -6.175 1.00 0.00 N ATOM 0 H GLN A 42 -6.687 5.975 -6.422 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.393 7.511 -4.569 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.947 7.929 -7.506 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.593 8.054 -6.919 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.415 9.614 -5.076 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.232 9.805 -6.354 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.471 10.514 -5.264 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.909 11.608 -6.581 1.00 0.00 H new ATOM 612 N PRO A 43 -10.456 6.089 -5.249 1.00 0.00 N ATOM 613 CA PRO A 43 -11.493 5.056 -5.324 1.00 0.00 C ATOM 614 C PRO A 43 -11.958 4.804 -6.755 1.00 0.00 C ATOM 615 O PRO A 43 -11.868 5.671 -7.624 1.00 0.00 O ATOM 616 CB PRO A 43 -12.634 5.638 -4.486 1.00 0.00 C ATOM 617 CG PRO A 43 -12.433 7.113 -4.545 1.00 0.00 C ATOM 618 CD PRO A 43 -10.946 7.325 -4.618 1.00 0.00 C ATOM 0 HA PRO A 43 -11.133 4.091 -4.968 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.606 5.354 -4.890 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.597 5.274 -3.459 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.931 7.540 -5.415 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.854 7.600 -3.665 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.694 8.205 -5.209 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.512 7.471 -3.629 1.00 0.00 H new ATOM 626 N PRO A 44 -12.468 3.589 -7.007 1.00 0.00 N ATOM 627 CA PRO A 44 -12.957 3.195 -8.331 1.00 0.00 C ATOM 628 C PRO A 44 -14.242 3.921 -8.713 1.00 0.00 C ATOM 629 O PRO A 44 -15.015 4.332 -7.848 1.00 0.00 O ATOM 630 CB PRO A 44 -13.216 1.694 -8.182 1.00 0.00 C ATOM 631 CG PRO A 44 -13.464 1.495 -6.726 1.00 0.00 C ATOM 632 CD PRO A 44 -12.606 2.506 -6.018 1.00 0.00 C ATOM 0 HA PRO A 44 -12.245 3.442 -9.118 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.074 1.379 -8.776 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.361 1.109 -8.522 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.517 1.641 -6.486 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.205 0.481 -6.421 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.075 2.858 -5.099 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.638 2.088 -5.742 1.00 0.00 H new ATOM 640 N SER A 45 -14.465 4.076 -10.015 1.00 0.00 N ATOM 641 CA SER A 45 -15.656 4.756 -10.511 1.00 0.00 C ATOM 642 C SER A 45 -16.920 4.005 -10.103 1.00 0.00 C ATOM 643 O SER A 45 -17.860 4.595 -9.572 1.00 0.00 O ATOM 644 CB SER A 45 -15.596 4.887 -12.034 1.00 0.00 C ATOM 645 OG SER A 45 -16.595 5.772 -12.510 1.00 0.00 O ATOM 0 H SER A 45 -13.837 3.740 -10.745 1.00 0.00 H new ATOM 0 HA SER A 45 -15.687 5.752 -10.068 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.612 5.250 -12.332 1.00 0.00 H new ATOM 0 HB3 SER A 45 -15.726 3.906 -12.492 1.00 0.00 H new ATOM 0 HG SER A 45 -16.534 5.840 -13.486 1.00 0.00 H new ATOM 651 N GLU A 46 -16.933 2.700 -10.356 1.00 0.00 N ATOM 652 CA GLU A 46 -18.082 1.869 -10.016 1.00 0.00 C ATOM 653 C GLU A 46 -18.572 2.170 -8.603 1.00 0.00 C ATOM 654 O GLU A 46 -19.741 2.497 -8.396 1.00 0.00 O ATOM 655 CB GLU A 46 -17.721 0.387 -10.137 1.00 0.00 C ATOM 656 CG GLU A 46 -17.961 -0.187 -11.524 1.00 0.00 C ATOM 657 CD GLU A 46 -19.427 -0.461 -11.796 1.00 0.00 C ATOM 658 OE1 GLU A 46 -20.269 0.379 -11.415 1.00 0.00 O ATOM 659 OE2 GLU A 46 -19.732 -1.516 -12.390 1.00 0.00 O ATOM 0 H GLU A 46 -16.162 2.196 -10.795 1.00 0.00 H new ATOM 0 HA GLU A 46 -18.884 2.099 -10.717 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -16.671 0.255 -9.875 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -18.304 -0.181 -9.412 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -17.580 0.509 -12.272 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -17.396 -1.113 -11.633 1.00 0.00 H new ATOM 666 N ALA A 47 -17.671 2.058 -7.633 1.00 0.00 N ATOM 667 CA ALA A 47 -18.010 2.319 -6.240 1.00 0.00 C ATOM 668 C ALA A 47 -19.429 1.858 -5.925 1.00 0.00 C ATOM 669 O ALA A 47 -20.234 2.618 -5.389 1.00 0.00 O ATOM 670 CB ALA A 47 -17.853 3.800 -5.927 1.00 0.00 C ATOM 0 H ALA A 47 -16.699 1.788 -7.787 1.00 0.00 H new ATOM 0 HA ALA A 47 -17.323 1.751 -5.612 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -18.110 3.980 -4.883 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -16.821 4.102 -6.104 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -18.516 4.380 -6.569 1.00 0.00 H new ATOM 676 N ASN A 48 -19.729 0.608 -6.262 1.00 0.00 N ATOM 677 CA ASN A 48 -21.052 0.046 -6.016 1.00 0.00 C ATOM 678 C ASN A 48 -21.228 -0.304 -4.542 1.00 0.00 C ATOM 679 O ASN A 48 -21.604 -1.425 -4.200 1.00 0.00 O ATOM 680 CB ASN A 48 -21.268 -1.200 -6.878 1.00 0.00 C ATOM 681 CG ASN A 48 -20.572 -1.102 -8.221 1.00 0.00 C ATOM 682 OD1 ASN A 48 -20.827 -0.183 -9.000 1.00 0.00 O ATOM 683 ND2 ASN A 48 -19.686 -2.051 -8.498 1.00 0.00 N ATOM 0 H ASN A 48 -19.074 -0.035 -6.706 1.00 0.00 H new ATOM 0 HA ASN A 48 -21.795 0.797 -6.284 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -20.900 -2.076 -6.344 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -22.336 -1.349 -7.036 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.185 -2.037 -9.386 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -19.506 -2.794 -7.822 1.00 0.00 H new ATOM 690 N GLY A 49 -20.955 0.663 -3.672 1.00 0.00 N ATOM 691 CA GLY A 49 -21.090 0.438 -2.245 1.00 0.00 C ATOM 692 C GLY A 49 -20.228 1.378 -1.425 1.00 0.00 C ATOM 693 O GLY A 49 -19.202 1.864 -1.900 1.00 0.00 O ATOM 0 H GLY A 49 -20.642 1.599 -3.930 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -22.134 0.564 -1.958 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -20.818 -0.592 -2.016 1.00 0.00 H new ATOM 697 N LYS A 50 -20.645 1.635 -0.190 1.00 0.00 N ATOM 698 CA LYS A 50 -19.905 2.524 0.698 1.00 0.00 C ATOM 699 C LYS A 50 -18.533 1.944 1.027 1.00 0.00 C ATOM 700 O LYS A 50 -18.429 0.856 1.595 1.00 0.00 O ATOM 701 CB LYS A 50 -20.694 2.761 1.988 1.00 0.00 C ATOM 702 CG LYS A 50 -19.938 3.578 3.021 1.00 0.00 C ATOM 703 CD LYS A 50 -20.869 4.124 4.091 1.00 0.00 C ATOM 704 CE LYS A 50 -21.659 5.320 3.583 1.00 0.00 C ATOM 705 NZ LYS A 50 -20.817 6.546 3.500 1.00 0.00 N ATOM 0 H LYS A 50 -21.492 1.240 0.219 1.00 0.00 H new ATOM 0 HA LYS A 50 -19.764 3.476 0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -21.626 3.271 1.745 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -20.961 1.798 2.423 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -19.171 2.958 3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -19.425 4.404 2.528 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -21.557 3.341 4.411 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -20.288 4.415 4.966 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -22.068 5.093 2.599 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -22.505 5.504 4.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -21.424 7.373 3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -20.299 6.673 4.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -20.139 6.449 2.717 1.00 0.00 H new ATOM 719 N ILE A 51 -17.485 2.678 0.670 1.00 0.00 N ATOM 720 CA ILE A 51 -16.120 2.237 0.930 1.00 0.00 C ATOM 721 C ILE A 51 -15.784 2.337 2.414 1.00 0.00 C ATOM 722 O ILE A 51 -16.023 3.365 3.049 1.00 0.00 O ATOM 723 CB ILE A 51 -15.099 3.064 0.127 1.00 0.00 C ATOM 724 CG1 ILE A 51 -15.542 3.184 -1.333 1.00 0.00 C ATOM 725 CG2 ILE A 51 -13.718 2.431 0.216 1.00 0.00 C ATOM 726 CD1 ILE A 51 -15.461 1.882 -2.098 1.00 0.00 C ATOM 0 H ILE A 51 -17.555 3.581 0.200 1.00 0.00 H new ATOM 0 HA ILE A 51 -16.059 1.195 0.615 1.00 0.00 H new ATOM 0 HB ILE A 51 -15.047 4.065 0.555 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -16.568 3.551 -1.364 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.922 3.929 -1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -13.007 3.027 -0.357 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.402 2.392 1.259 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -13.754 1.420 -0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -15.790 2.042 -3.125 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.432 1.524 -2.098 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -16.103 1.140 -1.623 1.00 0.00 H new ATOM 738 N THR A 52 -15.226 1.262 2.962 1.00 0.00 N ATOM 739 CA THR A 52 -14.856 1.228 4.372 1.00 0.00 C ATOM 740 C THR A 52 -13.358 1.449 4.552 1.00 0.00 C ATOM 741 O THR A 52 -12.929 2.142 5.474 1.00 0.00 O ATOM 742 CB THR A 52 -15.247 -0.112 5.023 1.00 0.00 C ATOM 743 OG1 THR A 52 -14.521 -1.184 4.413 1.00 0.00 O ATOM 744 CG2 THR A 52 -16.742 -0.362 4.888 1.00 0.00 C ATOM 0 H THR A 52 -15.020 0.403 2.451 1.00 0.00 H new ATOM 0 HA THR A 52 -15.402 2.034 4.862 1.00 0.00 H new ATOM 0 HB THR A 52 -14.997 -0.063 6.083 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.339 -0.964 3.476 1.00 0.00 H new ATOM 0 HG21 THR A 52 -16.995 -1.314 5.355 1.00 0.00 H new ATOM 0 HG22 THR A 52 -17.291 0.441 5.380 1.00 0.00 H new ATOM 0 HG23 THR A 52 -17.012 -0.392 3.832 1.00 0.00 H new ATOM 752 N GLY A 53 -12.566 0.855 3.664 1.00 0.00 N ATOM 753 CA GLY A 53 -11.124 1.000 3.743 1.00 0.00 C ATOM 754 C GLY A 53 -10.417 0.434 2.528 1.00 0.00 C ATOM 755 O GLY A 53 -11.056 -0.101 1.622 1.00 0.00 O ATOM 0 H GLY A 53 -12.897 0.276 2.892 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.873 2.056 3.846 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.760 0.497 4.639 1.00 0.00 H new ATOM 759 N TYR A 54 -9.094 0.552 2.507 1.00 0.00 N ATOM 760 CA TYR A 54 -8.299 0.051 1.391 1.00 0.00 C ATOM 761 C TYR A 54 -7.119 -0.776 1.892 1.00 0.00 C ATOM 762 O TYR A 54 -6.679 -0.624 3.032 1.00 0.00 O ATOM 763 CB TYR A 54 -7.795 1.214 0.534 1.00 0.00 C ATOM 764 CG TYR A 54 -8.897 2.124 0.040 1.00 0.00 C ATOM 765 CD1 TYR A 54 -9.472 3.070 0.879 1.00 0.00 C ATOM 766 CD2 TYR A 54 -9.362 2.038 -1.266 1.00 0.00 C ATOM 767 CE1 TYR A 54 -10.479 3.903 0.432 1.00 0.00 C ATOM 768 CE2 TYR A 54 -10.367 2.868 -1.723 1.00 0.00 C ATOM 769 CZ TYR A 54 -10.923 3.799 -0.870 1.00 0.00 C ATOM 770 OH TYR A 54 -11.925 4.628 -1.320 1.00 0.00 O ATOM 0 H TYR A 54 -8.549 0.990 3.250 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.936 -0.590 0.782 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.084 1.801 1.115 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.253 0.815 -0.323 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.126 3.156 1.898 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.930 1.309 -1.936 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.916 4.632 1.098 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.716 2.789 -2.742 1.00 0.00 H new ATOM 0 HH TYR A 54 -12.206 5.225 -0.595 1.00 0.00 H new ATOM 780 N ILE A 55 -6.611 -1.651 1.030 1.00 0.00 N ATOM 781 CA ILE A 55 -5.481 -2.501 1.383 1.00 0.00 C ATOM 782 C ILE A 55 -4.326 -2.313 0.406 1.00 0.00 C ATOM 783 O ILE A 55 -4.538 -2.074 -0.783 1.00 0.00 O ATOM 784 CB ILE A 55 -5.881 -3.988 1.406 1.00 0.00 C ATOM 785 CG1 ILE A 55 -7.048 -4.210 2.371 1.00 0.00 C ATOM 786 CG2 ILE A 55 -4.691 -4.851 1.798 1.00 0.00 C ATOM 787 CD1 ILE A 55 -7.939 -5.370 1.986 1.00 0.00 C ATOM 0 H ILE A 55 -6.964 -1.789 0.083 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.162 -2.203 2.382 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.201 -4.278 0.405 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.653 -4.383 3.372 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.648 -3.301 2.417 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.990 -5.899 1.810 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.887 -4.711 1.076 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.343 -4.562 2.790 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.744 -5.468 2.714 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.363 -5.191 0.998 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.353 -6.289 1.968 1.00 0.00 H new ATOM 799 N ILE A 56 -3.103 -2.423 0.916 1.00 0.00 N ATOM 800 CA ILE A 56 -1.914 -2.268 0.087 1.00 0.00 C ATOM 801 C ILE A 56 -0.986 -3.470 0.227 1.00 0.00 C ATOM 802 O ILE A 56 -0.684 -3.908 1.337 1.00 0.00 O ATOM 803 CB ILE A 56 -1.137 -0.989 0.452 1.00 0.00 C ATOM 804 CG1 ILE A 56 -1.967 0.252 0.114 1.00 0.00 C ATOM 805 CG2 ILE A 56 0.198 -0.954 -0.276 1.00 0.00 C ATOM 806 CD1 ILE A 56 -1.457 1.516 0.769 1.00 0.00 C ATOM 0 H ILE A 56 -2.910 -2.619 1.898 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.256 -2.194 -0.945 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.943 -0.993 1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.975 0.390 -0.967 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.999 0.084 0.422 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.735 -0.044 -0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.791 -1.823 0.009 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.026 -0.970 -1.352 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.093 2.355 0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.475 1.397 1.852 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.435 1.708 0.442 1.00 0.00 H new ATOM 818 N TYR A 57 -0.536 -3.997 -0.906 1.00 0.00 N ATOM 819 CA TYR A 57 0.358 -5.149 -0.911 1.00 0.00 C ATOM 820 C TYR A 57 1.686 -4.806 -1.579 1.00 0.00 C ATOM 821 O TYR A 57 1.717 -4.282 -2.693 1.00 0.00 O ATOM 822 CB TYR A 57 -0.299 -6.327 -1.632 1.00 0.00 C ATOM 823 CG TYR A 57 -1.732 -6.570 -1.216 1.00 0.00 C ATOM 824 CD1 TYR A 57 -2.772 -5.837 -1.776 1.00 0.00 C ATOM 825 CD2 TYR A 57 -2.046 -7.530 -0.262 1.00 0.00 C ATOM 826 CE1 TYR A 57 -4.083 -6.055 -1.398 1.00 0.00 C ATOM 827 CE2 TYR A 57 -3.354 -7.755 0.120 1.00 0.00 C ATOM 828 CZ TYR A 57 -4.369 -7.015 -0.450 1.00 0.00 C ATOM 829 OH TYR A 57 -5.673 -7.235 -0.071 1.00 0.00 O ATOM 0 H TYR A 57 -0.776 -3.645 -1.833 1.00 0.00 H new ATOM 0 HA TYR A 57 0.555 -5.429 0.124 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -0.267 -6.148 -2.707 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.283 -7.229 -1.442 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.552 -5.085 -2.519 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -1.254 -8.110 0.188 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.880 -5.477 -1.843 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.581 -8.507 0.861 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.277 -6.794 -0.705 1.00 0.00 H new ATOM 839 N TYR A 58 2.781 -5.105 -0.890 1.00 0.00 N ATOM 840 CA TYR A 58 4.113 -4.827 -1.414 1.00 0.00 C ATOM 841 C TYR A 58 5.087 -5.942 -1.045 1.00 0.00 C ATOM 842 O TYR A 58 5.088 -6.434 0.083 1.00 0.00 O ATOM 843 CB TYR A 58 4.626 -3.489 -0.878 1.00 0.00 C ATOM 844 CG TYR A 58 5.040 -3.537 0.575 1.00 0.00 C ATOM 845 CD1 TYR A 58 6.145 -4.276 0.980 1.00 0.00 C ATOM 846 CD2 TYR A 58 4.326 -2.842 1.544 1.00 0.00 C ATOM 847 CE1 TYR A 58 6.525 -4.323 2.307 1.00 0.00 C ATOM 848 CE2 TYR A 58 4.700 -2.883 2.873 1.00 0.00 C ATOM 849 CZ TYR A 58 5.800 -3.625 3.250 1.00 0.00 C ATOM 850 OH TYR A 58 6.177 -3.668 4.572 1.00 0.00 O ATOM 0 H TYR A 58 2.773 -5.540 0.033 1.00 0.00 H new ATOM 0 HA TYR A 58 4.044 -4.773 -2.501 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.477 -3.169 -1.479 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.848 -2.736 -1.001 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.716 -4.823 0.245 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.464 -2.260 1.253 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.386 -4.904 2.605 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.134 -2.337 3.613 1.00 0.00 H new ATOM 0 HH TYR A 58 5.562 -3.122 5.105 1.00 0.00 H new ATOM 860 N SER A 59 5.917 -6.336 -2.006 1.00 0.00 N ATOM 861 CA SER A 59 6.895 -7.395 -1.785 1.00 0.00 C ATOM 862 C SER A 59 8.036 -7.300 -2.794 1.00 0.00 C ATOM 863 O SER A 59 7.817 -7.013 -3.972 1.00 0.00 O ATOM 864 CB SER A 59 6.224 -8.766 -1.884 1.00 0.00 C ATOM 865 OG SER A 59 7.098 -9.794 -1.449 1.00 0.00 O ATOM 0 H SER A 59 5.932 -5.938 -2.945 1.00 0.00 H new ATOM 0 HA SER A 59 7.308 -7.272 -0.784 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.317 -8.775 -1.279 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.922 -8.953 -2.914 1.00 0.00 H new ATOM 0 HG SER A 59 6.645 -10.660 -1.520 1.00 0.00 H new ATOM 871 N THR A 60 9.255 -7.543 -2.324 1.00 0.00 N ATOM 872 CA THR A 60 10.431 -7.485 -3.183 1.00 0.00 C ATOM 873 C THR A 60 10.218 -8.286 -4.462 1.00 0.00 C ATOM 874 O THR A 60 10.657 -7.882 -5.539 1.00 0.00 O ATOM 875 CB THR A 60 11.682 -8.018 -2.459 1.00 0.00 C ATOM 876 OG1 THR A 60 11.487 -9.386 -2.086 1.00 0.00 O ATOM 877 CG2 THR A 60 11.986 -7.188 -1.221 1.00 0.00 C ATOM 0 H THR A 60 9.454 -7.782 -1.353 1.00 0.00 H new ATOM 0 HA THR A 60 10.586 -6.436 -3.436 1.00 0.00 H new ATOM 0 HB THR A 60 12.528 -7.945 -3.142 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.287 -9.717 -1.628 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.873 -7.583 -0.727 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.164 -6.153 -1.512 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.139 -7.232 -0.536 1.00 0.00 H new ATOM 885 N ASP A 61 9.542 -9.422 -4.337 1.00 0.00 N ATOM 886 CA ASP A 61 9.269 -10.280 -5.485 1.00 0.00 C ATOM 887 C ASP A 61 8.030 -9.804 -6.236 1.00 0.00 C ATOM 888 O ASP A 61 7.118 -9.223 -5.647 1.00 0.00 O ATOM 889 CB ASP A 61 9.082 -11.729 -5.033 1.00 0.00 C ATOM 890 CG ASP A 61 10.401 -12.448 -4.831 1.00 0.00 C ATOM 891 OD1 ASP A 61 11.042 -12.228 -3.782 1.00 0.00 O ATOM 892 OD2 ASP A 61 10.792 -13.231 -5.721 1.00 0.00 O ATOM 0 H ASP A 61 9.173 -9.771 -3.453 1.00 0.00 H new ATOM 0 HA ASP A 61 10.124 -10.226 -6.159 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.516 -11.746 -4.101 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.490 -12.264 -5.775 1.00 0.00 H new ATOM 897 N VAL A 62 8.004 -10.053 -7.542 1.00 0.00 N ATOM 898 CA VAL A 62 6.877 -9.650 -8.374 1.00 0.00 C ATOM 899 C VAL A 62 6.064 -10.859 -8.821 1.00 0.00 C ATOM 900 O VAL A 62 4.891 -10.736 -9.172 1.00 0.00 O ATOM 901 CB VAL A 62 7.347 -8.873 -9.618 1.00 0.00 C ATOM 902 CG1 VAL A 62 8.219 -9.754 -10.500 1.00 0.00 C ATOM 903 CG2 VAL A 62 6.153 -8.341 -10.397 1.00 0.00 C ATOM 0 H VAL A 62 8.751 -10.532 -8.046 1.00 0.00 H new ATOM 0 HA VAL A 62 6.250 -9.000 -7.764 1.00 0.00 H new ATOM 0 HB VAL A 62 7.945 -8.023 -9.289 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.542 -9.188 -11.374 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.093 -10.081 -9.937 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.648 -10.625 -10.822 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.504 -7.795 -11.273 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.526 -9.174 -10.716 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.572 -7.673 -9.761 1.00 0.00 H new ATOM 913 N ASN A 63 6.695 -12.029 -8.805 1.00 0.00 N ATOM 914 CA ASN A 63 6.030 -13.262 -9.209 1.00 0.00 C ATOM 915 C ASN A 63 5.752 -14.151 -8.001 1.00 0.00 C ATOM 916 O ASN A 63 5.710 -15.376 -8.115 1.00 0.00 O ATOM 917 CB ASN A 63 6.887 -14.018 -10.227 1.00 0.00 C ATOM 918 CG ASN A 63 7.110 -13.224 -11.499 1.00 0.00 C ATOM 919 OD1 ASN A 63 8.243 -12.535 -11.575 1.00 0.00 O flip ATOM 920 ND2 ASN A 63 6.274 -13.230 -12.402 1.00 0.00 N flip ATOM 0 H ASN A 63 7.666 -12.149 -8.517 1.00 0.00 H new ATOM 0 HA ASN A 63 5.078 -12.998 -9.670 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.851 -14.259 -9.779 1.00 0.00 H new ATOM 0 HB3 ASN A 63 6.405 -14.964 -10.473 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.417 -13.774 -12.300 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.438 -12.691 -13.252 1.00 0.00 H new ATOM 927 N ALA A 64 5.563 -13.525 -6.844 1.00 0.00 N ATOM 928 CA ALA A 64 5.286 -14.259 -5.615 1.00 0.00 C ATOM 929 C ALA A 64 3.797 -14.238 -5.287 1.00 0.00 C ATOM 930 O ALA A 64 3.147 -13.198 -5.379 1.00 0.00 O ATOM 931 CB ALA A 64 6.091 -13.679 -4.461 1.00 0.00 C ATOM 0 H ALA A 64 5.597 -12.512 -6.732 1.00 0.00 H new ATOM 0 HA ALA A 64 5.584 -15.297 -5.766 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.874 -14.237 -3.550 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.155 -13.752 -4.687 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.821 -12.633 -4.319 1.00 0.00 H new ATOM 937 N GLU A 65 3.264 -15.395 -4.904 1.00 0.00 N ATOM 938 CA GLU A 65 1.850 -15.508 -4.564 1.00 0.00 C ATOM 939 C GLU A 65 1.429 -14.392 -3.613 1.00 0.00 C ATOM 940 O GLU A 65 2.119 -14.101 -2.635 1.00 0.00 O ATOM 941 CB GLU A 65 1.563 -16.870 -3.929 1.00 0.00 C ATOM 942 CG GLU A 65 1.404 -17.992 -4.941 1.00 0.00 C ATOM 943 CD GLU A 65 1.321 -19.358 -4.289 1.00 0.00 C ATOM 944 OE1 GLU A 65 2.056 -19.593 -3.307 1.00 0.00 O ATOM 945 OE2 GLU A 65 0.521 -20.193 -4.762 1.00 0.00 O ATOM 0 H GLU A 65 3.789 -16.266 -4.822 1.00 0.00 H new ATOM 0 HA GLU A 65 1.272 -15.415 -5.484 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.374 -17.121 -3.245 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.654 -16.799 -3.332 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.504 -17.820 -5.530 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.246 -17.974 -5.633 1.00 0.00 H new ATOM 952 N ILE A 66 0.292 -13.770 -3.906 1.00 0.00 N ATOM 953 CA ILE A 66 -0.222 -12.687 -3.078 1.00 0.00 C ATOM 954 C ILE A 66 -0.144 -13.043 -1.597 1.00 0.00 C ATOM 955 O ILE A 66 -0.108 -12.163 -0.737 1.00 0.00 O ATOM 956 CB ILE A 66 -1.681 -12.348 -3.436 1.00 0.00 C ATOM 957 CG1 ILE A 66 -2.113 -11.056 -2.739 1.00 0.00 C ATOM 958 CG2 ILE A 66 -2.602 -13.496 -3.051 1.00 0.00 C ATOM 959 CD1 ILE A 66 -1.588 -9.805 -3.408 1.00 0.00 C ATOM 0 H ILE A 66 -0.291 -13.998 -4.711 1.00 0.00 H new ATOM 0 HA ILE A 66 0.403 -11.816 -3.274 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.749 -12.199 -4.514 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.202 -11.014 -2.711 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.768 -11.078 -1.705 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.629 -13.241 -3.310 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.305 -14.397 -3.588 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.532 -13.674 -1.978 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.933 -8.928 -2.861 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.498 -9.825 -3.412 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.954 -9.760 -4.434 1.00 0.00 H new ATOM 971 N HIS A 67 -0.115 -14.340 -1.306 1.00 0.00 N ATOM 972 CA HIS A 67 -0.038 -14.813 0.071 1.00 0.00 C ATOM 973 C HIS A 67 1.202 -14.261 0.767 1.00 0.00 C ATOM 974 O HIS A 67 1.136 -13.811 1.911 1.00 0.00 O ATOM 975 CB HIS A 67 -0.019 -16.342 0.107 1.00 0.00 C ATOM 976 CG HIS A 67 -0.886 -16.976 -0.936 1.00 0.00 C ATOM 977 ND1 HIS A 67 -0.468 -18.028 -1.724 1.00 0.00 N ATOM 978 CD2 HIS A 67 -2.156 -16.703 -1.318 1.00 0.00 C ATOM 979 CE1 HIS A 67 -1.443 -18.373 -2.547 1.00 0.00 C ATOM 980 NE2 HIS A 67 -2.478 -17.585 -2.320 1.00 0.00 N ATOM 0 H HIS A 67 -0.144 -15.082 -2.006 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.920 -14.455 0.602 1.00 0.00 H new ATOM 0 HB2 HIS A 67 1.006 -16.688 -0.025 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.344 -16.678 1.092 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.796 -15.935 -0.911 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -1.400 -19.165 -3.280 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -3.372 -17.625 -2.810 1.00 0.00 H new ATOM 989 N ASP A 68 2.332 -14.298 0.069 1.00 0.00 N ATOM 990 CA ASP A 68 3.588 -13.801 0.619 1.00 0.00 C ATOM 991 C ASP A 68 3.544 -12.285 0.791 1.00 0.00 C ATOM 992 O ASP A 68 4.094 -11.744 1.749 1.00 0.00 O ATOM 993 CB ASP A 68 4.756 -14.190 -0.288 1.00 0.00 C ATOM 994 CG ASP A 68 5.300 -15.569 0.028 1.00 0.00 C ATOM 995 OD1 ASP A 68 4.512 -16.431 0.471 1.00 0.00 O ATOM 996 OD2 ASP A 68 6.514 -15.787 -0.168 1.00 0.00 O ATOM 0 H ASP A 68 2.404 -14.667 -0.879 1.00 0.00 H new ATOM 0 HA ASP A 68 3.732 -14.256 1.599 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.430 -14.161 -1.328 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.554 -13.455 -0.183 1.00 0.00 H new ATOM 1001 N TRP A 69 2.887 -11.608 -0.144 1.00 0.00 N ATOM 1002 CA TRP A 69 2.772 -10.155 -0.096 1.00 0.00 C ATOM 1003 C TRP A 69 2.198 -9.698 1.240 1.00 0.00 C ATOM 1004 O TRP A 69 1.213 -10.253 1.726 1.00 0.00 O ATOM 1005 CB TRP A 69 1.891 -9.655 -1.242 1.00 0.00 C ATOM 1006 CG TRP A 69 2.532 -9.794 -2.589 1.00 0.00 C ATOM 1007 CD1 TRP A 69 2.950 -10.951 -3.183 1.00 0.00 C ATOM 1008 CD2 TRP A 69 2.831 -8.738 -3.510 1.00 0.00 C ATOM 1009 NE1 TRP A 69 3.490 -10.678 -4.416 1.00 0.00 N ATOM 1010 CE2 TRP A 69 3.428 -9.328 -4.641 1.00 0.00 C ATOM 1011 CE3 TRP A 69 2.650 -7.353 -3.489 1.00 0.00 C ATOM 1012 CZ2 TRP A 69 3.845 -8.579 -5.738 1.00 0.00 C ATOM 1013 CZ3 TRP A 69 3.064 -6.610 -4.578 1.00 0.00 C ATOM 1014 CH2 TRP A 69 3.656 -7.224 -5.690 1.00 0.00 C ATOM 0 H TRP A 69 2.426 -12.042 -0.944 1.00 0.00 H new ATOM 0 HA TRP A 69 3.771 -9.732 -0.204 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.952 -10.208 -1.236 1.00 0.00 H new ATOM 0 HB3 TRP A 69 1.645 -8.607 -1.071 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.868 -11.936 -2.747 1.00 0.00 H new ATOM 0 HE1 TRP A 69 3.875 -11.369 -5.060 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.194 -6.871 -2.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 4.301 -9.050 -6.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 2.929 -5.538 -4.572 1.00 0.00 H new ATOM 0 HH2 TRP A 69 3.969 -6.616 -6.526 1.00 0.00 H new ATOM 1025 N VAL A 70 2.821 -8.682 1.830 1.00 0.00 N ATOM 1026 CA VAL A 70 2.370 -8.150 3.111 1.00 0.00 C ATOM 1027 C VAL A 70 1.051 -7.400 2.961 1.00 0.00 C ATOM 1028 O VAL A 70 0.746 -6.867 1.893 1.00 0.00 O ATOM 1029 CB VAL A 70 3.419 -7.204 3.725 1.00 0.00 C ATOM 1030 CG1 VAL A 70 3.523 -5.922 2.912 1.00 0.00 C ATOM 1031 CG2 VAL A 70 3.075 -6.898 5.175 1.00 0.00 C ATOM 0 H VAL A 70 3.638 -8.211 1.442 1.00 0.00 H new ATOM 0 HA VAL A 70 2.226 -9.002 3.775 1.00 0.00 H new ATOM 0 HB VAL A 70 4.389 -7.701 3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.269 -5.266 3.361 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.818 -6.162 1.891 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.556 -5.418 2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.826 -6.228 5.594 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.096 -6.421 5.224 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.056 -7.825 5.748 1.00 0.00 H new ATOM 1041 N ILE A 71 0.272 -7.363 4.037 1.00 0.00 N ATOM 1042 CA ILE A 71 -1.014 -6.677 4.025 1.00 0.00 C ATOM 1043 C ILE A 71 -0.940 -5.358 4.787 1.00 0.00 C ATOM 1044 O ILE A 71 -0.765 -5.343 6.004 1.00 0.00 O ATOM 1045 CB ILE A 71 -2.123 -7.551 4.640 1.00 0.00 C ATOM 1046 CG1 ILE A 71 -2.314 -8.825 3.815 1.00 0.00 C ATOM 1047 CG2 ILE A 71 -3.426 -6.769 4.727 1.00 0.00 C ATOM 1048 CD1 ILE A 71 -3.187 -9.858 4.493 1.00 0.00 C ATOM 0 H ILE A 71 0.509 -7.800 4.928 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.256 -6.478 2.981 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.824 -7.835 5.649 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.755 -8.563 2.853 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.338 -9.265 3.609 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.200 -7.400 5.164 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.281 -5.888 5.352 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.731 -6.459 3.728 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.279 -10.734 3.851 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.737 -10.149 5.442 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.176 -9.436 4.675 1.00 0.00 H new ATOM 1060 N GLU A 72 -1.077 -4.253 4.060 1.00 0.00 N ATOM 1061 CA GLU A 72 -1.027 -2.929 4.669 1.00 0.00 C ATOM 1062 C GLU A 72 -2.410 -2.284 4.683 1.00 0.00 C ATOM 1063 O GLU A 72 -2.770 -1.508 3.797 1.00 0.00 O ATOM 1064 CB GLU A 72 -0.042 -2.033 3.913 1.00 0.00 C ATOM 1065 CG GLU A 72 1.380 -2.113 4.442 1.00 0.00 C ATOM 1066 CD GLU A 72 1.786 -3.525 4.816 1.00 0.00 C ATOM 1067 OE1 GLU A 72 1.408 -4.465 4.086 1.00 0.00 O ATOM 1068 OE2 GLU A 72 2.481 -3.690 5.841 1.00 0.00 O ATOM 0 H GLU A 72 -1.223 -4.249 3.051 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.688 -3.043 5.699 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.045 -2.311 2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.385 -1.000 3.971 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.066 -1.730 3.687 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.475 -1.468 5.316 1.00 0.00 H new ATOM 1075 N PRO A 73 -3.205 -2.612 5.712 1.00 0.00 N ATOM 1076 CA PRO A 73 -4.560 -2.076 5.867 1.00 0.00 C ATOM 1077 C PRO A 73 -4.561 -0.591 6.213 1.00 0.00 C ATOM 1078 O PRO A 73 -3.810 -0.145 7.080 1.00 0.00 O ATOM 1079 CB PRO A 73 -5.134 -2.895 7.026 1.00 0.00 C ATOM 1080 CG PRO A 73 -3.944 -3.333 7.807 1.00 0.00 C ATOM 1081 CD PRO A 73 -2.841 -3.530 6.804 1.00 0.00 C ATOM 0 HA PRO A 73 -5.136 -2.153 4.945 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.810 -2.297 7.637 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.705 -3.749 6.662 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.667 -2.585 8.550 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.150 -4.257 8.347 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.866 -3.286 7.226 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.790 -4.563 6.460 1.00 0.00 H new ATOM 1089 N VAL A 74 -5.409 0.170 5.529 1.00 0.00 N ATOM 1090 CA VAL A 74 -5.509 1.606 5.765 1.00 0.00 C ATOM 1091 C VAL A 74 -6.714 1.937 6.638 1.00 0.00 C ATOM 1092 O VAL A 74 -7.796 1.378 6.459 1.00 0.00 O ATOM 1093 CB VAL A 74 -5.617 2.386 4.441 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -5.619 3.884 4.703 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -4.484 2.001 3.502 1.00 0.00 C ATOM 0 H VAL A 74 -6.037 -0.183 4.807 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.597 1.906 6.281 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.560 2.125 3.961 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.696 4.419 3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.469 4.142 5.335 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.694 4.167 5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.576 2.562 2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.528 2.232 3.972 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.535 0.933 3.289 1.00 0.00 H new ATOM 1105 N VAL A 75 -6.520 2.851 7.583 1.00 0.00 N ATOM 1106 CA VAL A 75 -7.591 3.259 8.484 1.00 0.00 C ATOM 1107 C VAL A 75 -8.120 4.642 8.119 1.00 0.00 C ATOM 1108 O VAL A 75 -7.541 5.339 7.287 1.00 0.00 O ATOM 1109 CB VAL A 75 -7.118 3.272 9.950 1.00 0.00 C ATOM 1110 CG1 VAL A 75 -6.590 1.904 10.353 1.00 0.00 C ATOM 1111 CG2 VAL A 75 -6.059 4.344 10.157 1.00 0.00 C ATOM 0 H VAL A 75 -5.630 3.323 7.745 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.391 2.527 8.375 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.970 3.507 10.587 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.261 1.933 11.392 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.381 1.162 10.244 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.750 1.635 9.713 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.736 4.340 11.198 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.205 4.141 9.511 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.477 5.320 9.911 1.00 0.00 H new ATOM 1121 N GLY A 76 -9.223 5.033 8.749 1.00 0.00 N ATOM 1122 CA GLY A 76 -9.811 6.332 8.478 1.00 0.00 C ATOM 1123 C GLY A 76 -10.137 6.525 7.010 1.00 0.00 C ATOM 1124 O GLY A 76 -10.011 7.628 6.480 1.00 0.00 O ATOM 0 H GLY A 76 -9.720 4.474 9.442 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.721 6.446 9.067 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.123 7.113 8.800 1.00 0.00 H new ATOM 1128 N ASN A 77 -10.556 5.450 6.352 1.00 0.00 N ATOM 1129 CA ASN A 77 -10.899 5.506 4.935 1.00 0.00 C ATOM 1130 C ASN A 77 -9.908 6.377 4.170 1.00 0.00 C ATOM 1131 O ASN A 77 -10.284 7.097 3.245 1.00 0.00 O ATOM 1132 CB ASN A 77 -12.318 6.048 4.754 1.00 0.00 C ATOM 1133 CG ASN A 77 -12.786 5.973 3.313 1.00 0.00 C ATOM 1134 OD1 ASN A 77 -12.725 7.099 2.612 1.00 0.00 O flip ATOM 1135 ND2 ASN A 77 -13.198 4.915 2.837 1.00 0.00 N flip ATOM 0 H ASN A 77 -10.666 4.529 6.777 1.00 0.00 H new ATOM 0 HA ASN A 77 -10.850 4.494 4.534 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -13.003 5.483 5.386 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -12.354 7.084 5.092 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.227 4.074 3.413 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -13.510 4.880 1.867 1.00 0.00 H new ATOM 1142 N ARG A 78 -8.640 6.306 4.562 1.00 0.00 N ATOM 1143 CA ARG A 78 -7.595 7.088 3.914 1.00 0.00 C ATOM 1144 C ARG A 78 -7.261 6.516 2.539 1.00 0.00 C ATOM 1145 O ARG A 78 -7.280 5.301 2.339 1.00 0.00 O ATOM 1146 CB ARG A 78 -6.337 7.118 4.784 1.00 0.00 C ATOM 1147 CG ARG A 78 -5.518 8.389 4.627 1.00 0.00 C ATOM 1148 CD ARG A 78 -4.239 8.332 5.446 1.00 0.00 C ATOM 1149 NE ARG A 78 -3.544 9.617 5.467 1.00 0.00 N ATOM 1150 CZ ARG A 78 -2.537 9.895 6.287 1.00 0.00 C ATOM 1151 NH1 ARG A 78 -2.108 8.982 7.148 1.00 0.00 N ATOM 1152 NH2 ARG A 78 -1.956 11.087 6.246 1.00 0.00 N ATOM 0 H ARG A 78 -8.312 5.715 5.326 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.965 8.105 3.786 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.626 7.009 5.829 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.712 6.260 4.535 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.272 8.537 3.576 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.113 9.247 4.939 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.475 8.031 6.467 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.578 7.569 5.034 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.849 10.341 4.816 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.552 8.064 7.181 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.334 9.198 7.777 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.283 11.791 5.584 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.183 11.299 6.876 1.00 0.00 H new ATOM 1166 N LEU A 79 -6.958 7.399 1.594 1.00 0.00 N ATOM 1167 CA LEU A 79 -6.621 6.983 0.237 1.00 0.00 C ATOM 1168 C LEU A 79 -5.110 6.987 0.026 1.00 0.00 C ATOM 1169 O LEU A 79 -4.627 6.792 -1.090 1.00 0.00 O ATOM 1170 CB LEU A 79 -7.292 7.905 -0.782 1.00 0.00 C ATOM 1171 CG LEU A 79 -8.821 7.911 -0.777 1.00 0.00 C ATOM 1172 CD1 LEU A 79 -9.353 9.034 -1.653 1.00 0.00 C ATOM 1173 CD2 LEU A 79 -9.361 6.567 -1.243 1.00 0.00 C ATOM 0 H LEU A 79 -6.939 8.408 1.742 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.987 5.966 0.094 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.944 8.923 -0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.953 7.620 -1.778 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.161 8.082 0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.443 9.023 -1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.995 9.991 -1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.004 8.894 -2.676 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.451 6.589 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.011 6.366 -2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.008 5.782 -0.575 1.00 0.00 H new ATOM 1185 N THR A 80 -4.367 7.208 1.106 1.00 0.00 N ATOM 1186 CA THR A 80 -2.911 7.236 1.040 1.00 0.00 C ATOM 1187 C THR A 80 -2.293 6.504 2.225 1.00 0.00 C ATOM 1188 O THR A 80 -2.923 6.353 3.272 1.00 0.00 O ATOM 1189 CB THR A 80 -2.378 8.681 1.008 1.00 0.00 C ATOM 1190 OG1 THR A 80 -0.976 8.692 1.300 1.00 0.00 O ATOM 1191 CG2 THR A 80 -3.117 9.552 2.012 1.00 0.00 C ATOM 0 H THR A 80 -4.750 7.370 2.037 1.00 0.00 H new ATOM 0 HA THR A 80 -2.626 6.731 0.117 1.00 0.00 H new ATOM 0 HB THR A 80 -2.544 9.085 0.009 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.644 9.614 1.276 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.724 10.568 1.971 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.180 9.565 1.770 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.978 9.149 3.015 1.00 0.00 H new ATOM 1199 N HIS A 81 -1.055 6.051 2.054 1.00 0.00 N ATOM 1200 CA HIS A 81 -0.350 5.335 3.112 1.00 0.00 C ATOM 1201 C HIS A 81 1.138 5.670 3.096 1.00 0.00 C ATOM 1202 O HIS A 81 1.722 5.891 2.036 1.00 0.00 O ATOM 1203 CB HIS A 81 -0.547 3.827 2.955 1.00 0.00 C ATOM 1204 CG HIS A 81 -0.177 3.044 4.177 1.00 0.00 C ATOM 1205 ND1 HIS A 81 -0.443 3.479 5.458 1.00 0.00 N ATOM 1206 CD2 HIS A 81 0.440 1.846 4.308 1.00 0.00 C ATOM 1207 CE1 HIS A 81 -0.004 2.583 6.324 1.00 0.00 C ATOM 1208 NE2 HIS A 81 0.536 1.582 5.652 1.00 0.00 N ATOM 0 H HIS A 81 -0.519 6.167 1.194 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.765 5.650 4.069 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.590 3.629 2.709 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.051 3.476 2.114 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.791 1.215 3.505 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.075 2.656 7.399 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.956 0.749 6.064 1.00 0.00 H new ATOM 1217 N GLN A 82 1.744 5.706 4.278 1.00 0.00 N ATOM 1218 CA GLN A 82 3.164 6.016 4.399 1.00 0.00 C ATOM 1219 C GLN A 82 3.932 4.831 4.976 1.00 0.00 C ATOM 1220 O GLN A 82 3.831 4.534 6.167 1.00 0.00 O ATOM 1221 CB GLN A 82 3.365 7.248 5.283 1.00 0.00 C ATOM 1222 CG GLN A 82 2.611 8.475 4.796 1.00 0.00 C ATOM 1223 CD GLN A 82 1.153 8.465 5.209 1.00 0.00 C ATOM 1224 OE1 GLN A 82 0.809 8.022 6.305 1.00 0.00 O ATOM 1225 NE2 GLN A 82 0.285 8.956 4.331 1.00 0.00 N ATOM 0 H GLN A 82 1.275 5.525 5.165 1.00 0.00 H new ATOM 0 HA GLN A 82 3.551 6.226 3.402 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.044 7.013 6.298 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.429 7.481 5.331 1.00 0.00 H new ATOM 0 HG2 GLN A 82 3.090 9.371 5.190 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.677 8.530 3.709 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.614 9.313 3.434 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.710 8.976 4.554 1.00 0.00 H new ATOM 1234 N ILE A 83 4.700 4.159 4.125 1.00 0.00 N ATOM 1235 CA ILE A 83 5.485 3.007 4.551 1.00 0.00 C ATOM 1236 C ILE A 83 6.948 3.386 4.758 1.00 0.00 C ATOM 1237 O ILE A 83 7.562 4.021 3.901 1.00 0.00 O ATOM 1238 CB ILE A 83 5.404 1.860 3.526 1.00 0.00 C ATOM 1239 CG1 ILE A 83 3.946 1.463 3.287 1.00 0.00 C ATOM 1240 CG2 ILE A 83 6.214 0.664 4.005 1.00 0.00 C ATOM 1241 CD1 ILE A 83 3.765 0.486 2.146 1.00 0.00 C ATOM 0 H ILE A 83 4.795 4.392 3.137 1.00 0.00 H new ATOM 0 HA ILE A 83 5.062 2.669 5.497 1.00 0.00 H new ATOM 0 HB ILE A 83 5.826 2.205 2.582 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.544 1.022 4.199 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.362 2.361 3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.147 -0.138 3.270 1.00 0.00 H new ATOM 0 HG22 ILE A 83 7.257 0.957 4.129 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.819 0.316 4.959 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.707 0.249 2.034 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.137 0.931 1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.321 -0.427 2.358 1.00 0.00 H new ATOM 1253 N GLN A 84 7.500 2.991 5.901 1.00 0.00 N ATOM 1254 CA GLN A 84 8.891 3.288 6.220 1.00 0.00 C ATOM 1255 C GLN A 84 9.691 2.004 6.417 1.00 0.00 C ATOM 1256 O GLN A 84 9.154 0.904 6.294 1.00 0.00 O ATOM 1257 CB GLN A 84 8.974 4.153 7.479 1.00 0.00 C ATOM 1258 CG GLN A 84 7.911 5.238 7.543 1.00 0.00 C ATOM 1259 CD GLN A 84 8.081 6.151 8.740 1.00 0.00 C ATOM 1260 OE1 GLN A 84 7.797 5.766 9.875 1.00 0.00 O ATOM 1261 NE2 GLN A 84 8.547 7.371 8.494 1.00 0.00 N ATOM 0 H GLN A 84 7.005 2.465 6.621 1.00 0.00 H new ATOM 0 HA GLN A 84 9.320 3.837 5.382 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.881 3.513 8.356 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.959 4.618 7.526 1.00 0.00 H new ATOM 0 HG2 GLN A 84 7.948 5.832 6.630 1.00 0.00 H new ATOM 0 HG3 GLN A 84 6.925 4.774 7.582 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.770 7.649 7.538 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.682 8.030 9.261 1.00 0.00 H new ATOM 1270 N GLU A 85 10.976 2.154 6.722 1.00 0.00 N ATOM 1271 CA GLU A 85 11.849 1.006 6.934 1.00 0.00 C ATOM 1272 C GLU A 85 11.954 0.161 5.668 1.00 0.00 C ATOM 1273 O GLU A 85 12.037 -1.066 5.732 1.00 0.00 O ATOM 1274 CB GLU A 85 11.329 0.149 8.091 1.00 0.00 C ATOM 1275 CG GLU A 85 11.339 0.865 9.431 1.00 0.00 C ATOM 1276 CD GLU A 85 10.507 0.152 10.479 1.00 0.00 C ATOM 1277 OE1 GLU A 85 9.297 -0.046 10.243 1.00 0.00 O ATOM 1278 OE2 GLU A 85 11.066 -0.208 11.536 1.00 0.00 O ATOM 0 H GLU A 85 11.435 3.059 6.828 1.00 0.00 H new ATOM 0 HA GLU A 85 12.842 1.378 7.185 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.311 -0.170 7.867 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.937 -0.753 8.166 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.366 0.951 9.785 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.961 1.879 9.300 1.00 0.00 H new ATOM 1285 N LEU A 86 11.950 0.826 4.518 1.00 0.00 N ATOM 1286 CA LEU A 86 12.045 0.138 3.236 1.00 0.00 C ATOM 1287 C LEU A 86 13.481 0.135 2.724 1.00 0.00 C ATOM 1288 O LEU A 86 14.286 0.991 3.094 1.00 0.00 O ATOM 1289 CB LEU A 86 11.126 0.803 2.209 1.00 0.00 C ATOM 1290 CG LEU A 86 9.677 0.316 2.190 1.00 0.00 C ATOM 1291 CD1 LEU A 86 8.850 1.138 1.213 1.00 0.00 C ATOM 1292 CD2 LEU A 86 9.615 -1.162 1.833 1.00 0.00 C ATOM 0 H LEU A 86 11.882 1.841 4.447 1.00 0.00 H new ATOM 0 HA LEU A 86 11.730 -0.895 3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.125 1.877 2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.552 0.651 1.217 1.00 0.00 H new ATOM 0 HG LEU A 86 9.258 0.446 3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.822 0.777 1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.867 2.186 1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.268 1.041 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.576 -1.491 1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.053 -1.317 0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.172 -1.738 2.572 1.00 0.00 H new ATOM 1304 N THR A 87 13.797 -0.831 1.867 1.00 0.00 N ATOM 1305 CA THR A 87 15.136 -0.945 1.303 1.00 0.00 C ATOM 1306 C THR A 87 15.364 0.097 0.214 1.00 0.00 C ATOM 1307 O THR A 87 14.437 0.471 -0.506 1.00 0.00 O ATOM 1308 CB THR A 87 15.381 -2.347 0.714 1.00 0.00 C ATOM 1309 OG1 THR A 87 14.743 -3.338 1.528 1.00 0.00 O ATOM 1310 CG2 THR A 87 16.870 -2.642 0.621 1.00 0.00 C ATOM 0 H THR A 87 13.143 -1.546 1.548 1.00 0.00 H new ATOM 0 HA THR A 87 15.838 -0.774 2.119 1.00 0.00 H new ATOM 0 HB THR A 87 14.958 -2.375 -0.290 1.00 0.00 H new ATOM 0 HG1 THR A 87 14.928 -4.229 1.164 1.00 0.00 H new ATOM 0 HG21 THR A 87 17.018 -3.637 0.202 1.00 0.00 H new ATOM 0 HG22 THR A 87 17.348 -1.903 -0.022 1.00 0.00 H new ATOM 0 HG23 THR A 87 17.313 -2.597 1.616 1.00 0.00 H new ATOM 1318 N LEU A 88 16.603 0.563 0.098 1.00 0.00 N ATOM 1319 CA LEU A 88 16.953 1.563 -0.905 1.00 0.00 C ATOM 1320 C LEU A 88 17.585 0.908 -2.130 1.00 0.00 C ATOM 1321 O LEU A 88 17.893 -0.284 -2.119 1.00 0.00 O ATOM 1322 CB LEU A 88 17.914 2.595 -0.312 1.00 0.00 C ATOM 1323 CG LEU A 88 17.462 3.265 0.986 1.00 0.00 C ATOM 1324 CD1 LEU A 88 18.613 4.029 1.622 1.00 0.00 C ATOM 1325 CD2 LEU A 88 16.284 4.193 0.724 1.00 0.00 C ATOM 0 H LEU A 88 17.381 0.265 0.686 1.00 0.00 H new ATOM 0 HA LEU A 88 16.037 2.065 -1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 88 18.872 2.108 -0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 88 18.087 3.371 -1.057 1.00 0.00 H new ATOM 0 HG LEU A 88 17.141 2.489 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 88 18.272 4.499 2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 88 19.428 3.340 1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 88 18.965 4.796 0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 88 15.975 4.662 1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.579 4.964 0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 88 15.453 3.619 0.314 1.00 0.00 H new ATOM 1337 N ASP A 89 17.776 1.695 -3.183 1.00 0.00 N ATOM 1338 CA ASP A 89 18.374 1.193 -4.414 1.00 0.00 C ATOM 1339 C ASP A 89 17.903 -0.228 -4.707 1.00 0.00 C ATOM 1340 O ASP A 89 18.676 -1.068 -5.168 1.00 0.00 O ATOM 1341 CB ASP A 89 19.900 1.227 -4.316 1.00 0.00 C ATOM 1342 CG ASP A 89 20.573 0.772 -5.596 1.00 0.00 C ATOM 1343 OD1 ASP A 89 20.512 1.517 -6.596 1.00 0.00 O ATOM 1344 OD2 ASP A 89 21.161 -0.329 -5.597 1.00 0.00 O ATOM 0 H ASP A 89 17.525 2.683 -3.209 1.00 0.00 H new ATOM 0 HA ASP A 89 18.056 1.838 -5.233 1.00 0.00 H new ATOM 0 HB2 ASP A 89 20.223 2.241 -4.080 1.00 0.00 H new ATOM 0 HB3 ASP A 89 20.223 0.589 -3.493 1.00 0.00 H new ATOM 1349 N THR A 90 16.628 -0.491 -4.435 1.00 0.00 N ATOM 1350 CA THR A 90 16.054 -1.810 -4.667 1.00 0.00 C ATOM 1351 C THR A 90 14.654 -1.704 -5.260 1.00 0.00 C ATOM 1352 O THR A 90 13.823 -0.912 -4.815 1.00 0.00 O ATOM 1353 CB THR A 90 15.986 -2.630 -3.365 1.00 0.00 C ATOM 1354 OG1 THR A 90 17.266 -2.636 -2.722 1.00 0.00 O ATOM 1355 CG2 THR A 90 15.549 -4.060 -3.648 1.00 0.00 C ATOM 0 H THR A 90 15.974 0.193 -4.054 1.00 0.00 H new ATOM 0 HA THR A 90 16.708 -2.319 -5.375 1.00 0.00 H new ATOM 0 HB THR A 90 15.251 -2.165 -2.707 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.372 -1.815 -2.197 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.508 -4.620 -2.714 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.562 -4.054 -4.111 1.00 0.00 H new ATOM 0 HG23 THR A 90 16.263 -4.532 -4.323 1.00 0.00 H new ATOM 1363 N PRO A 91 14.383 -2.520 -6.290 1.00 0.00 N ATOM 1364 CA PRO A 91 13.082 -2.537 -6.965 1.00 0.00 C ATOM 1365 C PRO A 91 11.980 -3.119 -6.087 1.00 0.00 C ATOM 1366 O PRO A 91 12.088 -4.245 -5.602 1.00 0.00 O ATOM 1367 CB PRO A 91 13.326 -3.435 -8.181 1.00 0.00 C ATOM 1368 CG PRO A 91 14.457 -4.317 -7.780 1.00 0.00 C ATOM 1369 CD PRO A 91 15.325 -3.490 -6.872 1.00 0.00 C ATOM 0 HA PRO A 91 12.742 -1.533 -7.219 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.438 -4.017 -8.428 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.577 -2.847 -9.064 1.00 0.00 H new ATOM 0 HG2 PRO A 91 14.094 -5.208 -7.268 1.00 0.00 H new ATOM 0 HG3 PRO A 91 15.016 -4.656 -8.652 1.00 0.00 H new ATOM 0 HD2 PRO A 91 15.799 -4.101 -6.103 1.00 0.00 H new ATOM 0 HD3 PRO A 91 16.124 -2.994 -7.423 1.00 0.00 H new ATOM 1377 N TYR A 92 10.920 -2.344 -5.886 1.00 0.00 N ATOM 1378 CA TYR A 92 9.798 -2.782 -5.063 1.00 0.00 C ATOM 1379 C TYR A 92 8.477 -2.612 -5.808 1.00 0.00 C ATOM 1380 O TYR A 92 8.246 -1.594 -6.461 1.00 0.00 O ATOM 1381 CB TYR A 92 9.762 -1.995 -3.753 1.00 0.00 C ATOM 1382 CG TYR A 92 10.562 -2.634 -2.640 1.00 0.00 C ATOM 1383 CD1 TYR A 92 11.951 -2.633 -2.668 1.00 0.00 C ATOM 1384 CD2 TYR A 92 9.928 -3.237 -1.561 1.00 0.00 C ATOM 1385 CE1 TYR A 92 12.686 -3.217 -1.654 1.00 0.00 C ATOM 1386 CE2 TYR A 92 10.655 -3.822 -0.541 1.00 0.00 C ATOM 1387 CZ TYR A 92 12.033 -3.809 -0.593 1.00 0.00 C ATOM 1388 OH TYR A 92 12.762 -4.390 0.420 1.00 0.00 O ATOM 0 H TYR A 92 10.814 -1.410 -6.281 1.00 0.00 H new ATOM 0 HA TYR A 92 9.935 -3.840 -4.840 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.143 -0.990 -3.932 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.726 -1.890 -3.430 1.00 0.00 H new ATOM 0 HD1 TYR A 92 12.465 -2.168 -3.496 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.849 -3.249 -1.518 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.765 -3.210 -1.692 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.147 -4.286 0.291 1.00 0.00 H new ATOM 0 HH TYR A 92 13.288 -3.703 0.880 1.00 0.00 H new ATOM 1398 N TYR A 93 7.615 -3.617 -5.705 1.00 0.00 N ATOM 1399 CA TYR A 93 6.317 -3.582 -6.370 1.00 0.00 C ATOM 1400 C TYR A 93 5.195 -3.352 -5.362 1.00 0.00 C ATOM 1401 O TYR A 93 5.076 -4.075 -4.373 1.00 0.00 O ATOM 1402 CB TYR A 93 6.075 -4.886 -7.131 1.00 0.00 C ATOM 1403 CG TYR A 93 7.256 -5.329 -7.965 1.00 0.00 C ATOM 1404 CD1 TYR A 93 8.283 -6.080 -7.407 1.00 0.00 C ATOM 1405 CD2 TYR A 93 7.345 -4.996 -9.311 1.00 0.00 C ATOM 1406 CE1 TYR A 93 9.364 -6.486 -8.165 1.00 0.00 C ATOM 1407 CE2 TYR A 93 8.422 -5.399 -10.077 1.00 0.00 C ATOM 1408 CZ TYR A 93 9.429 -6.143 -9.500 1.00 0.00 C ATOM 1409 OH TYR A 93 10.504 -6.547 -10.258 1.00 0.00 O ATOM 0 H TYR A 93 7.791 -4.466 -5.168 1.00 0.00 H new ATOM 0 HA TYR A 93 6.321 -2.752 -7.077 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.829 -5.673 -6.418 1.00 0.00 H new ATOM 0 HB3 TYR A 93 5.208 -4.762 -7.780 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.235 -6.351 -6.363 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.559 -4.412 -9.766 1.00 0.00 H new ATOM 0 HE1 TYR A 93 10.154 -7.069 -7.715 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.475 -5.133 -11.122 1.00 0.00 H new ATOM 0 HH TYR A 93 10.396 -6.224 -11.177 1.00 0.00 H new ATOM 1419 N PHE A 94 4.374 -2.340 -5.622 1.00 0.00 N ATOM 1420 CA PHE A 94 3.260 -2.013 -4.739 1.00 0.00 C ATOM 1421 C PHE A 94 1.925 -2.314 -5.413 1.00 0.00 C ATOM 1422 O PHE A 94 1.839 -2.394 -6.639 1.00 0.00 O ATOM 1423 CB PHE A 94 3.319 -0.539 -4.333 1.00 0.00 C ATOM 1424 CG PHE A 94 4.619 -0.145 -3.693 1.00 0.00 C ATOM 1425 CD1 PHE A 94 4.833 -0.360 -2.341 1.00 0.00 C ATOM 1426 CD2 PHE A 94 5.627 0.439 -4.443 1.00 0.00 C ATOM 1427 CE1 PHE A 94 6.029 0.003 -1.749 1.00 0.00 C ATOM 1428 CE2 PHE A 94 6.825 0.803 -3.856 1.00 0.00 C ATOM 1429 CZ PHE A 94 7.026 0.583 -2.507 1.00 0.00 C ATOM 0 H PHE A 94 4.459 -1.732 -6.437 1.00 0.00 H new ATOM 0 HA PHE A 94 3.343 -2.632 -3.846 1.00 0.00 H new ATOM 0 HB2 PHE A 94 3.156 0.079 -5.216 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.504 -0.328 -3.641 1.00 0.00 H new ATOM 0 HD1 PHE A 94 4.058 -0.816 -1.743 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.475 0.612 -5.498 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.183 -0.167 -0.694 1.00 0.00 H new ATOM 0 HE2 PHE A 94 7.602 1.259 -4.451 1.00 0.00 H new ATOM 0 HZ PHE A 94 7.961 0.864 -2.046 1.00 0.00 H new ATOM 1439 N LYS A 95 0.884 -2.480 -4.604 1.00 0.00 N ATOM 1440 CA LYS A 95 -0.448 -2.771 -5.120 1.00 0.00 C ATOM 1441 C LYS A 95 -1.523 -2.163 -4.224 1.00 0.00 C ATOM 1442 O LYS A 95 -1.363 -2.096 -3.005 1.00 0.00 O ATOM 1443 CB LYS A 95 -0.656 -4.283 -5.229 1.00 0.00 C ATOM 1444 CG LYS A 95 0.006 -4.901 -6.448 1.00 0.00 C ATOM 1445 CD LYS A 95 -0.375 -6.363 -6.609 1.00 0.00 C ATOM 1446 CE LYS A 95 0.560 -7.081 -7.569 1.00 0.00 C ATOM 1447 NZ LYS A 95 0.394 -6.600 -8.969 1.00 0.00 N ATOM 0 H LYS A 95 0.938 -2.418 -3.587 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.531 -2.326 -6.112 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.264 -4.761 -4.331 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.725 -4.493 -5.261 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.285 -4.348 -7.341 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.089 -4.814 -6.358 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.349 -6.856 -5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.399 -6.435 -6.975 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.592 -6.929 -7.253 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.369 -8.153 -7.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.084 -7.077 -9.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.569 -6.814 -9.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.552 -5.573 -9.004 1.00 0.00 H new ATOM 1461 N ILE A 96 -2.617 -1.722 -4.836 1.00 0.00 N ATOM 1462 CA ILE A 96 -3.718 -1.123 -4.093 1.00 0.00 C ATOM 1463 C ILE A 96 -5.038 -1.817 -4.411 1.00 0.00 C ATOM 1464 O ILE A 96 -5.250 -2.287 -5.529 1.00 0.00 O ATOM 1465 CB ILE A 96 -3.854 0.380 -4.402 1.00 0.00 C ATOM 1466 CG1 ILE A 96 -2.485 1.061 -4.340 1.00 0.00 C ATOM 1467 CG2 ILE A 96 -4.823 1.035 -3.429 1.00 0.00 C ATOM 1468 CD1 ILE A 96 -2.359 2.249 -5.267 1.00 0.00 C ATOM 0 H ILE A 96 -2.764 -1.768 -5.844 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.490 -1.249 -3.035 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.250 0.495 -5.411 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.296 1.387 -3.317 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.714 0.332 -4.590 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.909 2.097 -3.660 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.802 0.564 -3.518 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.454 0.914 -2.411 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.363 2.682 -5.170 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.516 1.926 -6.296 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.107 2.997 -5.004 1.00 0.00 H new ATOM 1480 N GLN A 97 -5.924 -1.876 -3.422 1.00 0.00 N ATOM 1481 CA GLN A 97 -7.224 -2.511 -3.597 1.00 0.00 C ATOM 1482 C GLN A 97 -8.260 -1.899 -2.660 1.00 0.00 C ATOM 1483 O GLN A 97 -7.928 -1.436 -1.569 1.00 0.00 O ATOM 1484 CB GLN A 97 -7.118 -4.016 -3.345 1.00 0.00 C ATOM 1485 CG GLN A 97 -8.463 -4.724 -3.312 1.00 0.00 C ATOM 1486 CD GLN A 97 -8.372 -6.123 -2.735 1.00 0.00 C ATOM 1487 OE1 GLN A 97 -8.322 -6.303 -1.518 1.00 0.00 O ATOM 1488 NE2 GLN A 97 -8.350 -7.123 -3.607 1.00 0.00 N ATOM 0 H GLN A 97 -5.765 -1.491 -2.491 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.546 -2.343 -4.625 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.500 -4.464 -4.124 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.606 -4.182 -2.397 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.164 -4.136 -2.720 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.866 -4.778 -4.323 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.394 -6.928 -4.607 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.290 -8.086 -3.277 1.00 0.00 H new ATOM 1497 N ALA A 98 -9.516 -1.899 -3.094 1.00 0.00 N ATOM 1498 CA ALA A 98 -10.601 -1.345 -2.294 1.00 0.00 C ATOM 1499 C ALA A 98 -11.460 -2.452 -1.691 1.00 0.00 C ATOM 1500 O ALA A 98 -11.562 -3.545 -2.250 1.00 0.00 O ATOM 1501 CB ALA A 98 -11.456 -0.412 -3.138 1.00 0.00 C ATOM 0 H ALA A 98 -9.807 -2.277 -3.996 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.161 -0.776 -1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.262 -0.006 -2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.840 0.404 -3.516 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.879 -0.965 -3.977 1.00 0.00 H new ATOM 1507 N ARG A 99 -12.074 -2.163 -0.549 1.00 0.00 N ATOM 1508 CA ARG A 99 -12.922 -3.135 0.130 1.00 0.00 C ATOM 1509 C ARG A 99 -14.009 -2.436 0.941 1.00 0.00 C ATOM 1510 O ARG A 99 -13.750 -1.440 1.616 1.00 0.00 O ATOM 1511 CB ARG A 99 -12.081 -4.026 1.045 1.00 0.00 C ATOM 1512 CG ARG A 99 -12.828 -4.510 2.278 1.00 0.00 C ATOM 1513 CD ARG A 99 -11.920 -5.308 3.201 1.00 0.00 C ATOM 1514 NE ARG A 99 -12.358 -5.238 4.593 1.00 0.00 N ATOM 1515 CZ ARG A 99 -13.423 -5.878 5.061 1.00 0.00 C ATOM 1516 NH1 ARG A 99 -14.156 -6.633 4.253 1.00 0.00 N ATOM 1517 NH2 ARG A 99 -13.758 -5.765 6.340 1.00 0.00 N ATOM 0 H ARG A 99 -12.000 -1.263 -0.074 1.00 0.00 H new ATOM 0 HA ARG A 99 -13.401 -3.754 -0.628 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -11.734 -4.890 0.478 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.195 -3.475 1.360 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -13.236 -3.655 2.817 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -13.673 -5.128 1.974 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.900 -6.349 2.879 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.901 -4.930 3.122 1.00 0.00 H new ATOM 0 HE ARG A 99 -11.816 -4.666 5.241 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.902 -6.723 3.269 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -14.974 -7.123 4.616 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -13.197 -5.186 6.965 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -14.576 -6.257 6.698 1.00 0.00 H new ATOM 1531 N ASN A 100 -15.227 -2.964 0.868 1.00 0.00 N ATOM 1532 CA ASN A 100 -16.353 -2.390 1.595 1.00 0.00 C ATOM 1533 C ASN A 100 -16.998 -3.428 2.509 1.00 0.00 C ATOM 1534 O ASN A 100 -16.535 -4.565 2.596 1.00 0.00 O ATOM 1535 CB ASN A 100 -17.393 -1.841 0.615 1.00 0.00 C ATOM 1536 CG ASN A 100 -17.842 -2.881 -0.393 1.00 0.00 C ATOM 1537 OD1 ASN A 100 -17.411 -4.033 -0.347 1.00 0.00 O ATOM 1538 ND2 ASN A 100 -18.713 -2.477 -1.311 1.00 0.00 N ATOM 0 H ASN A 100 -15.459 -3.788 0.313 1.00 0.00 H new ATOM 0 HA ASN A 100 -15.977 -1.574 2.211 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -18.258 -1.481 1.172 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -16.974 -0.984 0.087 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -19.052 -3.132 -2.016 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -19.043 -1.512 -1.311 1.00 0.00 H new ATOM 1545 N SER A 101 -18.068 -3.028 3.187 1.00 0.00 N ATOM 1546 CA SER A 101 -18.775 -3.923 4.097 1.00 0.00 C ATOM 1547 C SER A 101 -18.791 -5.348 3.553 1.00 0.00 C ATOM 1548 O SER A 101 -18.533 -6.306 4.283 1.00 0.00 O ATOM 1549 CB SER A 101 -20.207 -3.433 4.317 1.00 0.00 C ATOM 1550 OG SER A 101 -20.221 -2.163 4.944 1.00 0.00 O ATOM 0 H SER A 101 -18.465 -2.091 3.124 1.00 0.00 H new ATOM 0 HA SER A 101 -18.248 -3.923 5.051 1.00 0.00 H new ATOM 0 HB2 SER A 101 -20.726 -3.375 3.360 1.00 0.00 H new ATOM 0 HB3 SER A 101 -20.750 -4.151 4.931 1.00 0.00 H new ATOM 0 HG SER A 101 -21.148 -1.871 5.072 1.00 0.00 H new ATOM 1556 N LYS A 102 -19.095 -5.481 2.267 1.00 0.00 N ATOM 1557 CA LYS A 102 -19.144 -6.788 1.623 1.00 0.00 C ATOM 1558 C LYS A 102 -17.773 -7.457 1.643 1.00 0.00 C ATOM 1559 O LYS A 102 -17.560 -8.435 2.358 1.00 0.00 O ATOM 1560 CB LYS A 102 -19.634 -6.650 0.179 1.00 0.00 C ATOM 1561 CG LYS A 102 -20.989 -5.975 0.059 1.00 0.00 C ATOM 1562 CD LYS A 102 -22.124 -6.982 0.139 1.00 0.00 C ATOM 1563 CE LYS A 102 -22.565 -7.212 1.576 1.00 0.00 C ATOM 1564 NZ LYS A 102 -23.868 -7.929 1.648 1.00 0.00 N ATOM 0 H LYS A 102 -19.311 -4.699 1.649 1.00 0.00 H new ATOM 0 HA LYS A 102 -19.842 -7.413 2.180 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -18.901 -6.079 -0.392 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -19.689 -7.640 -0.273 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -21.100 -5.237 0.853 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -21.045 -5.436 -0.887 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -22.970 -6.626 -0.450 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -21.805 -7.927 -0.300 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -21.804 -7.788 2.102 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -22.649 -6.253 2.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -24.134 -8.067 2.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -24.600 -7.367 1.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -23.781 -8.855 1.182 1.00 0.00 H new ATOM 1578 N GLY A 103 -16.846 -6.920 0.855 1.00 0.00 N ATOM 1579 CA GLY A 103 -15.507 -7.478 0.800 1.00 0.00 C ATOM 1580 C GLY A 103 -14.565 -6.640 -0.042 1.00 0.00 C ATOM 1581 O GLY A 103 -14.735 -5.427 -0.155 1.00 0.00 O ATOM 0 H GLY A 103 -16.998 -6.110 0.255 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -15.109 -7.561 1.811 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -15.554 -8.488 0.392 1.00 0.00 H new ATOM 1585 N MET A 104 -13.568 -7.289 -0.634 1.00 0.00 N ATOM 1586 CA MET A 104 -12.595 -6.595 -1.470 1.00 0.00 C ATOM 1587 C MET A 104 -12.840 -6.887 -2.947 1.00 0.00 C ATOM 1588 O MET A 104 -13.689 -7.707 -3.295 1.00 0.00 O ATOM 1589 CB MET A 104 -11.173 -7.010 -1.086 1.00 0.00 C ATOM 1590 CG MET A 104 -11.029 -7.407 0.374 1.00 0.00 C ATOM 1591 SD MET A 104 -11.336 -9.162 0.650 1.00 0.00 S ATOM 1592 CE MET A 104 -9.717 -9.708 1.189 1.00 0.00 C ATOM 0 H MET A 104 -13.412 -8.294 -0.551 1.00 0.00 H new ATOM 0 HA MET A 104 -12.711 -5.524 -1.305 1.00 0.00 H new ATOM 0 HB2 MET A 104 -10.866 -7.847 -1.713 1.00 0.00 H new ATOM 0 HB3 MET A 104 -10.493 -6.185 -1.299 1.00 0.00 H new ATOM 0 HG2 MET A 104 -10.024 -7.160 0.716 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.724 -6.821 0.976 1.00 0.00 H new ATOM 0 HE1 MET A 104 -9.745 -10.777 1.399 1.00 0.00 H new ATOM 0 HE2 MET A 104 -8.987 -9.511 0.404 1.00 0.00 H new ATOM 0 HE3 MET A 104 -9.433 -9.168 2.092 1.00 0.00 H new ATOM 1602 N GLY A 105 -12.092 -6.210 -3.812 1.00 0.00 N ATOM 1603 CA GLY A 105 -12.244 -6.411 -5.242 1.00 0.00 C ATOM 1604 C GLY A 105 -10.973 -6.915 -5.895 1.00 0.00 C ATOM 1605 O GLY A 105 -10.127 -7.542 -5.257 1.00 0.00 O ATOM 0 H GLY A 105 -11.383 -5.526 -3.549 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -13.049 -7.124 -5.422 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -12.540 -5.471 -5.708 1.00 0.00 H new ATOM 1609 N PRO A 106 -10.825 -6.641 -7.200 1.00 0.00 N ATOM 1610 CA PRO A 106 -9.651 -7.063 -7.969 1.00 0.00 C ATOM 1611 C PRO A 106 -8.391 -6.304 -7.567 1.00 0.00 C ATOM 1612 O PRO A 106 -8.464 -5.179 -7.074 1.00 0.00 O ATOM 1613 CB PRO A 106 -10.036 -6.733 -9.414 1.00 0.00 C ATOM 1614 CG PRO A 106 -11.037 -5.636 -9.298 1.00 0.00 C ATOM 1615 CD PRO A 106 -11.793 -5.898 -8.025 1.00 0.00 C ATOM 0 HA PRO A 106 -9.413 -8.114 -7.806 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -9.168 -6.417 -9.993 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -10.457 -7.602 -9.920 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -10.547 -4.663 -9.268 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -11.709 -5.628 -10.156 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -12.103 -4.970 -7.544 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -12.696 -6.480 -8.207 1.00 0.00 H new ATOM 1623 N MET A 107 -7.237 -6.927 -7.782 1.00 0.00 N ATOM 1624 CA MET A 107 -5.960 -6.308 -7.442 1.00 0.00 C ATOM 1625 C MET A 107 -5.368 -5.587 -8.649 1.00 0.00 C ATOM 1626 O MET A 107 -5.335 -6.130 -9.754 1.00 0.00 O ATOM 1627 CB MET A 107 -4.977 -7.363 -6.931 1.00 0.00 C ATOM 1628 CG MET A 107 -5.494 -8.146 -5.735 1.00 0.00 C ATOM 1629 SD MET A 107 -5.097 -7.355 -4.164 1.00 0.00 S ATOM 1630 CE MET A 107 -5.538 -8.652 -3.010 1.00 0.00 C ATOM 0 H MET A 107 -7.159 -7.859 -8.190 1.00 0.00 H new ATOM 0 HA MET A 107 -6.138 -5.576 -6.654 1.00 0.00 H new ATOM 0 HB2 MET A 107 -4.750 -8.058 -7.739 1.00 0.00 H new ATOM 0 HB3 MET A 107 -4.042 -6.874 -6.658 1.00 0.00 H new ATOM 0 HG2 MET A 107 -6.575 -8.258 -5.818 1.00 0.00 H new ATOM 0 HG3 MET A 107 -5.068 -9.149 -5.750 1.00 0.00 H new ATOM 0 HE1 MET A 107 -6.264 -8.269 -2.293 1.00 0.00 H new ATOM 0 HE2 MET A 107 -5.973 -9.491 -3.554 1.00 0.00 H new ATOM 0 HE3 MET A 107 -4.646 -8.986 -2.480 1.00 0.00 H new ATOM 1640 N SER A 108 -4.902 -4.362 -8.431 1.00 0.00 N ATOM 1641 CA SER A 108 -4.314 -3.565 -9.501 1.00 0.00 C ATOM 1642 C SER A 108 -2.925 -4.080 -9.862 1.00 0.00 C ATOM 1643 O SER A 108 -2.314 -4.832 -9.103 1.00 0.00 O ATOM 1644 CB SER A 108 -4.234 -2.095 -9.086 1.00 0.00 C ATOM 1645 OG SER A 108 -3.410 -1.931 -7.945 1.00 0.00 O ATOM 0 H SER A 108 -4.920 -3.899 -7.522 1.00 0.00 H new ATOM 0 HA SER A 108 -4.954 -3.653 -10.379 1.00 0.00 H new ATOM 0 HB2 SER A 108 -3.840 -1.502 -9.911 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.235 -1.719 -8.873 1.00 0.00 H new ATOM 0 HG SER A 108 -3.944 -2.065 -7.134 1.00 0.00 H new ATOM 1651 N GLU A 109 -2.432 -3.670 -11.027 1.00 0.00 N ATOM 1652 CA GLU A 109 -1.115 -4.091 -11.489 1.00 0.00 C ATOM 1653 C GLU A 109 -0.040 -3.734 -10.467 1.00 0.00 C ATOM 1654 O GLU A 109 -0.274 -2.941 -9.555 1.00 0.00 O ATOM 1655 CB GLU A 109 -0.790 -3.440 -12.836 1.00 0.00 C ATOM 1656 CG GLU A 109 -0.377 -1.982 -12.723 1.00 0.00 C ATOM 1657 CD GLU A 109 -1.561 -1.053 -12.538 1.00 0.00 C ATOM 1658 OE1 GLU A 109 -2.665 -1.398 -13.011 1.00 0.00 O ATOM 1659 OE2 GLU A 109 -1.385 0.018 -11.921 1.00 0.00 O ATOM 0 H GLU A 109 -2.925 -3.047 -11.667 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.130 -5.174 -11.611 1.00 0.00 H new ATOM 0 HB2 GLU A 109 0.012 -4.000 -13.317 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -1.663 -3.513 -13.485 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.306 -1.866 -11.882 1.00 0.00 H new ATOM 0 HG3 GLU A 109 0.170 -1.693 -13.620 1.00 0.00 H new ATOM 1666 N ALA A 110 1.140 -4.326 -10.626 1.00 0.00 N ATOM 1667 CA ALA A 110 2.251 -4.069 -9.719 1.00 0.00 C ATOM 1668 C ALA A 110 3.057 -2.854 -10.167 1.00 0.00 C ATOM 1669 O ALA A 110 3.706 -2.878 -11.213 1.00 0.00 O ATOM 1670 CB ALA A 110 3.149 -5.294 -9.625 1.00 0.00 C ATOM 0 H ALA A 110 1.350 -4.986 -11.374 1.00 0.00 H new ATOM 0 HA ALA A 110 1.840 -3.856 -8.732 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.975 -5.088 -8.944 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.572 -6.140 -9.251 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.544 -5.532 -10.613 1.00 0.00 H new ATOM 1676 N VAL A 111 3.010 -1.792 -9.369 1.00 0.00 N ATOM 1677 CA VAL A 111 3.736 -0.567 -9.684 1.00 0.00 C ATOM 1678 C VAL A 111 5.192 -0.662 -9.240 1.00 0.00 C ATOM 1679 O VAL A 111 5.493 -0.588 -8.050 1.00 0.00 O ATOM 1680 CB VAL A 111 3.086 0.658 -9.014 1.00 0.00 C ATOM 1681 CG1 VAL A 111 3.841 1.928 -9.376 1.00 0.00 C ATOM 1682 CG2 VAL A 111 1.621 0.767 -9.412 1.00 0.00 C ATOM 0 H VAL A 111 2.477 -1.755 -8.500 1.00 0.00 H new ATOM 0 HA VAL A 111 3.696 -0.444 -10.766 1.00 0.00 H new ATOM 0 HB VAL A 111 3.137 0.529 -7.933 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.367 2.783 -8.894 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.874 1.846 -9.037 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.824 2.066 -10.457 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.177 1.638 -8.930 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.545 0.873 -10.494 1.00 0.00 H new ATOM 0 HG23 VAL A 111 1.091 -0.132 -9.097 1.00 0.00 H new ATOM 1692 N GLN A 112 6.089 -0.826 -10.207 1.00 0.00 N ATOM 1693 CA GLN A 112 7.514 -0.931 -9.915 1.00 0.00 C ATOM 1694 C GLN A 112 8.120 0.445 -9.657 1.00 0.00 C ATOM 1695 O GLN A 112 8.380 1.205 -10.590 1.00 0.00 O ATOM 1696 CB GLN A 112 8.244 -1.613 -11.073 1.00 0.00 C ATOM 1697 CG GLN A 112 9.709 -1.899 -10.785 1.00 0.00 C ATOM 1698 CD GLN A 112 10.421 -2.539 -11.960 1.00 0.00 C ATOM 1699 OE1 GLN A 112 10.449 -1.987 -13.061 1.00 0.00 O ATOM 1700 NE2 GLN A 112 11.002 -3.711 -11.733 1.00 0.00 N ATOM 0 H GLN A 112 5.855 -0.889 -11.198 1.00 0.00 H new ATOM 0 HA GLN A 112 7.631 -1.534 -9.015 1.00 0.00 H new ATOM 0 HB2 GLN A 112 7.739 -2.550 -11.308 1.00 0.00 H new ATOM 0 HB3 GLN A 112 8.173 -0.981 -11.959 1.00 0.00 H new ATOM 0 HG2 GLN A 112 10.212 -0.968 -10.523 1.00 0.00 H new ATOM 0 HG3 GLN A 112 9.783 -2.556 -9.918 1.00 0.00 H new ATOM 0 HE21 GLN A 112 10.954 -4.133 -10.805 1.00 0.00 H new ATOM 0 HE22 GLN A 112 11.496 -4.190 -12.486 1.00 0.00 H new ATOM 1709 N PHE A 113 8.341 0.759 -8.385 1.00 0.00 N ATOM 1710 CA PHE A 113 8.915 2.045 -8.004 1.00 0.00 C ATOM 1711 C PHE A 113 10.263 1.855 -7.314 1.00 0.00 C ATOM 1712 O PHE A 113 10.333 1.346 -6.195 1.00 0.00 O ATOM 1713 CB PHE A 113 7.958 2.801 -7.080 1.00 0.00 C ATOM 1714 CG PHE A 113 8.528 4.084 -6.547 1.00 0.00 C ATOM 1715 CD1 PHE A 113 8.606 5.210 -7.351 1.00 0.00 C ATOM 1716 CD2 PHE A 113 8.986 4.164 -5.241 1.00 0.00 C ATOM 1717 CE1 PHE A 113 9.131 6.391 -6.863 1.00 0.00 C ATOM 1718 CE2 PHE A 113 9.511 5.343 -4.748 1.00 0.00 C ATOM 1719 CZ PHE A 113 9.583 6.459 -5.559 1.00 0.00 C ATOM 0 H PHE A 113 8.132 0.141 -7.601 1.00 0.00 H new ATOM 0 HA PHE A 113 9.070 2.629 -8.911 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.038 3.019 -7.623 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.689 2.157 -6.243 1.00 0.00 H new ATOM 0 HD1 PHE A 113 8.252 5.164 -8.370 1.00 0.00 H new ATOM 0 HD2 PHE A 113 8.932 3.295 -4.602 1.00 0.00 H new ATOM 0 HE1 PHE A 113 9.188 7.261 -7.501 1.00 0.00 H new ATOM 0 HE2 PHE A 113 9.865 5.392 -3.729 1.00 0.00 H new ATOM 0 HZ PHE A 113 9.991 7.382 -5.175 1.00 0.00 H new ATOM 1729 N ARG A 114 11.330 2.268 -7.990 1.00 0.00 N ATOM 1730 CA ARG A 114 12.676 2.143 -7.443 1.00 0.00 C ATOM 1731 C ARG A 114 12.890 3.123 -6.293 1.00 0.00 C ATOM 1732 O ARG A 114 12.744 4.335 -6.460 1.00 0.00 O ATOM 1733 CB ARG A 114 13.718 2.387 -8.536 1.00 0.00 C ATOM 1734 CG ARG A 114 15.057 1.722 -8.261 1.00 0.00 C ATOM 1735 CD ARG A 114 15.887 1.597 -9.529 1.00 0.00 C ATOM 1736 NE ARG A 114 17.101 0.813 -9.312 1.00 0.00 N ATOM 1737 CZ ARG A 114 17.770 0.210 -10.289 1.00 0.00 C ATOM 1738 NH1 ARG A 114 17.346 0.301 -11.542 1.00 0.00 N ATOM 1739 NH2 ARG A 114 18.866 -0.485 -10.013 1.00 0.00 N ATOM 0 H ARG A 114 11.289 2.692 -8.917 1.00 0.00 H new ATOM 0 HA ARG A 114 12.792 1.129 -7.059 1.00 0.00 H new ATOM 0 HB2 ARG A 114 13.328 2.021 -9.486 1.00 0.00 H new ATOM 0 HB3 ARG A 114 13.871 3.460 -8.647 1.00 0.00 H new ATOM 0 HG2 ARG A 114 15.607 2.302 -7.520 1.00 0.00 H new ATOM 0 HG3 ARG A 114 14.892 0.733 -7.833 1.00 0.00 H new ATOM 0 HD2 ARG A 114 15.288 1.129 -10.310 1.00 0.00 H new ATOM 0 HD3 ARG A 114 16.156 2.591 -9.886 1.00 0.00 H new ATOM 0 HE ARG A 114 17.454 0.724 -8.359 1.00 0.00 H new ATOM 0 HH11 ARG A 114 16.504 0.835 -11.758 1.00 0.00 H new ATOM 0 HH12 ARG A 114 17.862 -0.163 -12.290 1.00 0.00 H new ATOM 0 HH21 ARG A 114 19.196 -0.557 -9.050 1.00 0.00 H new ATOM 0 HH22 ARG A 114 19.379 -0.948 -10.763 1.00 0.00 H new ATOM 1753 N THR A 115 13.236 2.591 -5.125 1.00 0.00 N ATOM 1754 CA THR A 115 13.468 3.418 -3.948 1.00 0.00 C ATOM 1755 C THR A 115 14.569 4.441 -4.202 1.00 0.00 C ATOM 1756 O THR A 115 15.538 4.180 -4.915 1.00 0.00 O ATOM 1757 CB THR A 115 13.851 2.561 -2.726 1.00 0.00 C ATOM 1758 OG1 THR A 115 14.871 1.624 -3.086 1.00 0.00 O ATOM 1759 CG2 THR A 115 12.639 1.816 -2.186 1.00 0.00 C ATOM 0 H THR A 115 13.362 1.591 -4.969 1.00 0.00 H new ATOM 0 HA THR A 115 12.534 3.939 -3.739 1.00 0.00 H new ATOM 0 HB THR A 115 14.226 3.225 -1.947 1.00 0.00 H new ATOM 0 HG1 THR A 115 14.604 0.725 -2.802 1.00 0.00 H new ATOM 0 HG21 THR A 115 12.934 1.218 -1.324 1.00 0.00 H new ATOM 0 HG22 THR A 115 11.875 2.533 -1.886 1.00 0.00 H new ATOM 0 HG23 THR A 115 12.239 1.162 -2.961 1.00 0.00 H new ATOM 1767 N PRO A 116 14.420 5.633 -3.606 1.00 0.00 N ATOM 1768 CA PRO A 116 15.393 6.719 -3.753 1.00 0.00 C ATOM 1769 C PRO A 116 16.708 6.418 -3.042 1.00 0.00 C ATOM 1770 O PRO A 116 16.987 5.273 -2.687 1.00 0.00 O ATOM 1771 CB PRO A 116 14.693 7.913 -3.100 1.00 0.00 C ATOM 1772 CG PRO A 116 13.739 7.309 -2.128 1.00 0.00 C ATOM 1773 CD PRO A 116 13.289 6.012 -2.742 1.00 0.00 C ATOM 0 HA PRO A 116 15.665 6.885 -4.795 1.00 0.00 H new ATOM 0 HB2 PRO A 116 15.408 8.566 -2.599 1.00 0.00 H new ATOM 0 HB3 PRO A 116 14.172 8.520 -3.841 1.00 0.00 H new ATOM 0 HG2 PRO A 116 14.219 7.139 -1.164 1.00 0.00 H new ATOM 0 HG3 PRO A 116 12.892 7.971 -1.950 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.092 5.255 -1.983 1.00 0.00 H new ATOM 0 HD3 PRO A 116 12.370 6.136 -3.315 1.00 0.00 H new ATOM 1781 N LYS A 117 17.514 7.454 -2.836 1.00 0.00 N ATOM 1782 CA LYS A 117 18.800 7.302 -2.165 1.00 0.00 C ATOM 1783 C LYS A 117 19.021 8.421 -1.152 1.00 0.00 C ATOM 1784 O LYS A 117 18.549 9.542 -1.339 1.00 0.00 O ATOM 1785 CB LYS A 117 19.936 7.297 -3.191 1.00 0.00 C ATOM 1786 CG LYS A 117 19.863 6.142 -4.174 1.00 0.00 C ATOM 1787 CD LYS A 117 20.683 4.954 -3.700 1.00 0.00 C ATOM 1788 CE LYS A 117 20.119 4.363 -2.416 1.00 0.00 C ATOM 1789 NZ LYS A 117 20.724 4.986 -1.206 1.00 0.00 N ATOM 0 H LYS A 117 17.299 8.409 -3.124 1.00 0.00 H new ATOM 0 HA LYS A 117 18.794 6.350 -1.633 1.00 0.00 H new ATOM 0 HB2 LYS A 117 19.918 8.236 -3.745 1.00 0.00 H new ATOM 0 HB3 LYS A 117 20.890 7.255 -2.665 1.00 0.00 H new ATOM 0 HG2 LYS A 117 18.824 5.839 -4.305 1.00 0.00 H new ATOM 0 HG3 LYS A 117 20.225 6.469 -5.149 1.00 0.00 H new ATOM 0 HD2 LYS A 117 20.700 4.189 -4.477 1.00 0.00 H new ATOM 0 HD3 LYS A 117 21.715 5.265 -3.536 1.00 0.00 H new ATOM 0 HE2 LYS A 117 19.038 4.504 -2.395 1.00 0.00 H new ATOM 0 HE3 LYS A 117 20.301 3.288 -2.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 21.157 4.248 -0.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 21.452 5.670 -1.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 19.986 5.476 -0.662 1.00 0.00 H new ATOM 1803 N ALA A 118 19.742 8.108 -0.080 1.00 0.00 N ATOM 1804 CA ALA A 118 20.028 9.088 0.960 1.00 0.00 C ATOM 1805 C ALA A 118 20.998 10.153 0.460 1.00 0.00 C ATOM 1806 O ALA A 118 22.157 9.862 0.166 1.00 0.00 O ATOM 1807 CB ALA A 118 20.590 8.399 2.195 1.00 0.00 C ATOM 0 H ALA A 118 20.138 7.184 0.091 1.00 0.00 H new ATOM 0 HA ALA A 118 19.093 9.581 1.226 1.00 0.00 H new ATOM 0 HB1 ALA A 118 20.799 9.143 2.963 1.00 0.00 H new ATOM 0 HB2 ALA A 118 19.863 7.681 2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 118 21.511 7.879 1.934 1.00 0.00 H new