USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1196 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: B 74 LYS NZ :NH3+ 177:sc= 1.16 (180deg=0) USER MOD Set 1.2: B 78 GLN : amide:sc= -2.62! C(o=-1.5!,f=-5.8!) USER MOD Set 2.1: B 13 SER OG : rot 180:sc= 0.967 USER MOD Set 2.2: B 22 THR OG1 : rot -75:sc= 1.12 USER MOD Set 3.1: B 19 GLN : amide:sc= -1.66! C(o=-2.1!,f=-4.4!) USER MOD Set 3.2: B 21 TYR OH : rot 70:sc= -0.435 USER MOD Set 4.1: A 74 LYS NZ :NH3+ 146:sc= 1.23 (180deg=0) USER MOD Set 4.2: A 78 GLN : amide:sc= 0.95 K(o=2.2,f=-6.5!) USER MOD Set 5.1: A 17 TYR OH : rot 26:sc= 0.726 USER MOD Set 5.2: A 47 SER OG : rot 66:sc= 1.74 USER MOD Set 6.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.157 USER MOD Single : A 19 GLN : amide:sc= -1.24 X(o=-1.2,f=-1.3) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.522 USER MOD Single : A 31 HIS : no HE2:sc= -0.433 X(o=-0.43,f=-0.25) USER MOD Single : A 42 LYS NZ :NH3+ 165:sc= 1.24 (180deg=0.925) USER MOD Single : A 43 MET CE :methyl -153:sc= -0.455 (180deg=-3.88!) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0.641 K(o=0.64,f=-0.56) USER MOD Single : A 52 MET CE :methyl -146:sc=-0.00112 (180deg=-0.191) USER MOD Single : A 57 LYS NZ :NH3+ 137:sc= 1.2 (180deg=0.932) USER MOD Single : A 62 THR OG1 : rot 61:sc= 1.23 USER MOD Single : A 65 GLN : amide:sc= 0.887 K(o=0.89,f=-0.3) USER MOD Single : A 68 SER OG : rot 86:sc= -0.782! USER MOD Single : A 70 TYR OH : rot 151:sc= 0.0956 USER MOD Single : A 72 LYS NZ :NH3+ 173:sc= 2.35 (180deg=2.2) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 10 THR OG1 : rot 180:sc= -0.0541 USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 28 SER OG : rot -170:sc= -0.815 USER MOD Single : B 31 HIS : no HE2:sc= -0.0431 K(o=-0.043,f=-5.2!) USER MOD Single : B 42 LYS NZ :NH3+ -151:sc= 1.21 (180deg=1.12) USER MOD Single : B 43 MET CE :methyl -161:sc= -0.182 (180deg=-0.763) USER MOD Single : B 44 HIS : no HE2:sc= 0.728 K(o=0.73,f=-2.4!) USER MOD Single : B 47 SER OG : rot 180:sc= 0.00157 USER MOD Single : B 49 LYS NZ :NH3+ -161:sc= 1.32 (180deg=1.01) USER MOD Single : B 50 GLN : amide:sc= -0.543 K(o=-0.54,f=-3.6!) USER MOD Single : B 52 MET CE :methyl -177:sc= 0 (180deg=-0.0131) USER MOD Single : B 57 LYS NZ :NH3+ 155:sc= 1.28 (180deg=0.904) USER MOD Single : B 62 THR OG1 : rot 32:sc= 0.711 USER MOD Single : B 65 GLN : amide:sc= -2.36! C(o=-2.4!,f=-5.6!) USER MOD Single : B 68 SER OG : rot 78:sc= -0.425! USER MOD Single : B 70 TYR OH : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ 177:sc= 1.55 (180deg=1.51) USER MOD Single : B 77 TYR OH : rot 100:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 138 N THR A 10 17.956 2.251 -6.256 1.00 0.30 N ATOM 139 CA THR A 10 18.498 0.935 -5.981 1.00 0.36 C ATOM 140 C THR A 10 17.535 0.133 -5.103 1.00 0.30 C ATOM 141 O THR A 10 16.424 0.584 -4.807 1.00 0.27 O ATOM 142 CB THR A 10 19.893 1.038 -5.313 1.00 0.49 C ATOM 143 OG1 THR A 10 20.566 -0.227 -5.363 1.00 0.62 O ATOM 144 CG2 THR A 10 19.789 1.507 -3.863 1.00 0.60 C ATOM 0 HA THR A 10 18.618 0.411 -6.929 1.00 0.36 H new ATOM 0 HB THR A 10 20.468 1.778 -5.870 1.00 0.49 H new ATOM 0 HG1 THR A 10 21.446 -0.146 -4.939 1.00 0.62 H new ATOM 0 HG21 THR A 10 20.786 1.567 -3.428 1.00 0.60 H new ATOM 0 HG22 THR A 10 19.319 2.490 -3.831 1.00 0.60 H new ATOM 0 HG23 THR A 10 19.187 0.799 -3.294 1.00 0.60 H new ATOM 152 N ARG A 11 17.960 -1.047 -4.681 1.00 0.30 N ATOM 153 CA ARG A 11 17.123 -1.904 -3.862 1.00 0.26 C ATOM 154 C ARG A 11 17.724 -2.119 -2.479 1.00 0.21 C ATOM 155 O ARG A 11 18.943 -2.098 -2.305 1.00 0.22 O ATOM 156 CB ARG A 11 16.884 -3.243 -4.567 1.00 0.32 C ATOM 157 CG ARG A 11 18.136 -4.081 -4.749 1.00 0.40 C ATOM 158 CD ARG A 11 17.879 -5.272 -5.653 1.00 0.55 C ATOM 159 NE ARG A 11 19.038 -6.156 -5.720 1.00 0.68 N ATOM 160 CZ ARG A 11 19.128 -7.212 -6.521 1.00 1.07 C ATOM 161 NH1 ARG A 11 18.150 -7.497 -7.370 1.00 1.36 N1+ ATOM 162 NH2 ARG A 11 20.214 -7.971 -6.491 1.00 1.17 N ATOM 0 H ARG A 11 18.880 -1.432 -4.893 1.00 0.30 H new ATOM 0 HA ARG A 11 16.164 -1.405 -3.725 1.00 0.26 H new ATOM 0 HB2 ARG A 11 16.156 -3.817 -3.995 1.00 0.32 H new ATOM 0 HB3 ARG A 11 16.442 -3.052 -5.545 1.00 0.32 H new ATOM 0 HG2 ARG A 11 18.929 -3.465 -5.173 1.00 0.40 H new ATOM 0 HG3 ARG A 11 18.487 -4.429 -3.778 1.00 0.40 H new ATOM 0 HD2 ARG A 11 17.017 -5.829 -5.286 1.00 0.55 H new ATOM 0 HD3 ARG A 11 17.629 -4.922 -6.655 1.00 0.55 H new ATOM 0 HE ARG A 11 19.831 -5.950 -5.112 1.00 0.68 H new ATOM 0 HH11 ARG A 11 17.321 -6.904 -7.411 1.00 1.36 H new ATOM 0 HH12 ARG A 11 18.226 -8.310 -7.982 1.00 1.36 H new ATOM 0 HH21 ARG A 11 20.978 -7.744 -5.854 1.00 1.17 H new ATOM 0 HH22 ARG A 11 20.286 -8.782 -7.105 1.00 1.17 H new ATOM 176 N VAL A 12 16.850 -2.317 -1.505 1.00 0.16 N ATOM 177 CA VAL A 12 17.266 -2.531 -0.127 1.00 0.12 C ATOM 178 C VAL A 12 16.677 -3.829 0.421 1.00 0.14 C ATOM 179 O VAL A 12 15.580 -4.236 0.032 1.00 0.18 O ATOM 180 CB VAL A 12 16.843 -1.343 0.774 1.00 0.09 C ATOM 181 CG1 VAL A 12 15.326 -1.218 0.837 1.00 0.08 C ATOM 182 CG2 VAL A 12 17.434 -1.479 2.173 1.00 0.12 C ATOM 0 H VAL A 12 15.840 -2.334 -1.645 1.00 0.16 H new ATOM 0 HA VAL A 12 18.354 -2.604 -0.119 1.00 0.12 H new ATOM 0 HB VAL A 12 17.239 -0.430 0.329 1.00 0.09 H new ATOM 0 HG11 VAL A 12 15.056 -0.377 1.476 1.00 0.08 H new ATOM 0 HG12 VAL A 12 14.933 -1.053 -0.166 1.00 0.08 H new ATOM 0 HG13 VAL A 12 14.902 -2.135 1.247 1.00 0.08 H new ATOM 0 HG21 VAL A 12 17.121 -0.632 2.784 1.00 0.12 H new ATOM 0 HG22 VAL A 12 17.082 -2.405 2.628 1.00 0.12 H new ATOM 0 HG23 VAL A 12 18.522 -1.497 2.108 1.00 0.12 H new ATOM 192 N SER A 13 17.424 -4.485 1.300 1.00 0.14 N ATOM 193 CA SER A 13 16.977 -5.721 1.915 1.00 0.17 C ATOM 194 C SER A 13 16.404 -5.449 3.306 1.00 0.12 C ATOM 195 O SER A 13 17.040 -4.787 4.128 1.00 0.15 O ATOM 196 CB SER A 13 18.137 -6.714 2.003 1.00 0.25 C ATOM 197 OG SER A 13 18.766 -6.869 0.740 1.00 0.56 O ATOM 0 H SER A 13 18.348 -4.176 1.602 1.00 0.14 H new ATOM 0 HA SER A 13 16.190 -6.154 1.297 1.00 0.17 H new ATOM 0 HB2 SER A 13 18.865 -6.366 2.736 1.00 0.25 H new ATOM 0 HB3 SER A 13 17.770 -7.679 2.352 1.00 0.25 H new ATOM 0 HG SER A 13 19.506 -7.507 0.819 1.00 0.56 H new ATOM 203 N VAL A 14 15.205 -5.958 3.560 1.00 0.06 N ATOM 204 CA VAL A 14 14.537 -5.767 4.844 1.00 0.08 C ATOM 205 C VAL A 14 13.859 -7.058 5.290 1.00 0.08 C ATOM 206 O VAL A 14 13.712 -7.987 4.498 1.00 0.12 O ATOM 207 CB VAL A 14 13.478 -4.644 4.771 1.00 0.09 C ATOM 208 CG1 VAL A 14 14.138 -3.272 4.790 1.00 0.10 C ATOM 209 CG2 VAL A 14 12.609 -4.801 3.531 1.00 0.09 C ATOM 0 H VAL A 14 14.671 -6.510 2.889 1.00 0.06 H new ATOM 0 HA VAL A 14 15.302 -5.482 5.566 1.00 0.08 H new ATOM 0 HB VAL A 14 12.840 -4.727 5.651 1.00 0.09 H new ATOM 0 HG11 VAL A 14 13.372 -2.499 4.738 1.00 0.10 H new ATOM 0 HG12 VAL A 14 14.709 -3.155 5.711 1.00 0.10 H new ATOM 0 HG13 VAL A 14 14.807 -3.178 3.935 1.00 0.10 H new ATOM 0 HG21 VAL A 14 11.871 -4.000 3.500 1.00 0.09 H new ATOM 0 HG22 VAL A 14 13.235 -4.752 2.640 1.00 0.09 H new ATOM 0 HG23 VAL A 14 12.099 -5.764 3.564 1.00 0.09 H new ATOM 219 N ARG A 15 13.441 -7.115 6.546 1.00 0.05 N ATOM 220 CA ARG A 15 12.786 -8.304 7.074 1.00 0.05 C ATOM 221 C ARG A 15 11.295 -8.058 7.295 1.00 0.04 C ATOM 222 O ARG A 15 10.914 -7.131 8.013 1.00 0.07 O ATOM 223 CB ARG A 15 13.440 -8.724 8.389 1.00 0.06 C ATOM 224 CG ARG A 15 12.820 -9.965 9.010 1.00 0.06 C ATOM 225 CD ARG A 15 12.448 -9.741 10.468 1.00 0.11 C ATOM 226 NE ARG A 15 11.235 -8.933 10.619 1.00 0.16 N ATOM 227 CZ ARG A 15 10.863 -8.365 11.766 1.00 0.20 C ATOM 228 NH1 ARG A 15 11.640 -8.455 12.836 1.00 0.20 N1+ ATOM 229 NH2 ARG A 15 9.722 -7.692 11.832 1.00 0.26 N ATOM 0 H ARG A 15 13.543 -6.354 7.218 1.00 0.05 H new ATOM 0 HA ARG A 15 12.898 -9.104 6.342 1.00 0.05 H new ATOM 0 HB2 ARG A 15 14.500 -8.906 8.215 1.00 0.06 H new ATOM 0 HB3 ARG A 15 13.370 -7.900 9.099 1.00 0.06 H new ATOM 0 HG2 ARG A 15 11.930 -10.247 8.447 1.00 0.06 H new ATOM 0 HG3 ARG A 15 13.521 -10.797 8.937 1.00 0.06 H new ATOM 0 HD2 ARG A 15 12.301 -10.705 10.955 1.00 0.11 H new ATOM 0 HD3 ARG A 15 13.275 -9.248 10.979 1.00 0.11 H new ATOM 0 HE ARG A 15 10.642 -8.798 9.800 1.00 0.16 H new ATOM 0 HH11 ARG A 15 12.525 -8.960 12.783 1.00 0.20 H new ATOM 0 HH12 ARG A 15 11.353 -8.019 13.713 1.00 0.20 H new ATOM 0 HH21 ARG A 15 9.130 -7.609 11.005 1.00 0.26 H new ATOM 0 HH22 ARG A 15 9.436 -7.257 12.709 1.00 0.26 H new ATOM 243 N ILE A 16 10.458 -8.892 6.684 1.00 0.03 N ATOM 244 CA ILE A 16 9.013 -8.771 6.818 1.00 0.04 C ATOM 245 C ILE A 16 8.394 -10.129 7.146 1.00 0.04 C ATOM 246 O ILE A 16 8.608 -11.107 6.425 1.00 0.04 O ATOM 247 CB ILE A 16 8.353 -8.222 5.532 1.00 0.05 C ATOM 248 CG1 ILE A 16 9.152 -7.042 4.966 1.00 0.08 C ATOM 249 CG2 ILE A 16 6.918 -7.804 5.824 1.00 0.06 C ATOM 250 CD1 ILE A 16 8.768 -6.658 3.554 1.00 0.07 C ATOM 0 H ILE A 16 10.760 -9.663 6.088 1.00 0.03 H new ATOM 0 HA ILE A 16 8.830 -8.066 7.629 1.00 0.04 H new ATOM 0 HB ILE A 16 8.347 -9.012 4.781 1.00 0.05 H new ATOM 0 HG12 ILE A 16 9.014 -6.178 5.616 1.00 0.08 H new ATOM 0 HG13 ILE A 16 10.213 -7.291 4.988 1.00 0.08 H new ATOM 0 HG21 ILE A 16 6.459 -7.418 4.914 1.00 0.06 H new ATOM 0 HG22 ILE A 16 6.353 -8.666 6.178 1.00 0.06 H new ATOM 0 HG23 ILE A 16 6.914 -7.028 6.590 1.00 0.06 H new ATOM 0 HD11 ILE A 16 9.378 -5.816 3.227 1.00 0.07 H new ATOM 0 HD12 ILE A 16 8.933 -7.506 2.889 1.00 0.07 H new ATOM 0 HD13 ILE A 16 7.716 -6.375 3.527 1.00 0.07 H new ATOM 262 N TYR A 17 7.673 -10.184 8.263 1.00 0.08 N ATOM 263 CA TYR A 17 6.989 -11.399 8.716 1.00 0.11 C ATOM 264 C TYR A 17 7.984 -12.524 9.019 1.00 0.19 C ATOM 265 O TYR A 17 7.633 -13.706 8.989 1.00 0.56 O ATOM 266 CB TYR A 17 5.956 -11.848 7.669 1.00 0.04 C ATOM 267 CG TYR A 17 4.702 -12.463 8.260 1.00 0.09 C ATOM 268 CD1 TYR A 17 3.926 -11.769 9.181 1.00 0.18 C ATOM 269 CD2 TYR A 17 4.293 -13.739 7.893 1.00 0.08 C ATOM 270 CE1 TYR A 17 2.780 -12.328 9.719 1.00 0.23 C ATOM 271 CE2 TYR A 17 3.147 -14.304 8.425 1.00 0.12 C ATOM 272 CZ TYR A 17 2.395 -13.597 9.337 1.00 0.20 C ATOM 273 OH TYR A 17 1.257 -14.161 9.871 1.00 0.25 O ATOM 0 H TYR A 17 7.544 -9.385 8.884 1.00 0.08 H new ATOM 0 HA TYR A 17 6.468 -11.167 9.645 1.00 0.11 H new ATOM 0 HB2 TYR A 17 5.674 -10.989 7.061 1.00 0.04 H new ATOM 0 HB3 TYR A 17 6.423 -12.572 7.001 1.00 0.04 H new ATOM 0 HD1 TYR A 17 4.223 -10.775 9.482 1.00 0.18 H new ATOM 0 HD2 TYR A 17 4.879 -14.300 7.180 1.00 0.08 H new ATOM 0 HE1 TYR A 17 2.190 -11.774 10.434 1.00 0.23 H new ATOM 0 HE2 TYR A 17 2.843 -15.296 8.126 1.00 0.12 H new ATOM 0 HH TYR A 17 0.640 -13.452 10.148 1.00 0.25 H new ATOM 283 N GLY A 18 9.226 -12.149 9.310 1.00 0.18 N ATOM 284 CA GLY A 18 10.248 -13.135 9.630 1.00 0.13 C ATOM 285 C GLY A 18 11.126 -13.496 8.444 1.00 0.05 C ATOM 286 O GLY A 18 12.202 -14.076 8.616 1.00 0.11 O ATOM 0 H GLY A 18 9.545 -11.180 9.330 1.00 0.18 H new ATOM 0 HA2 GLY A 18 10.875 -12.750 10.434 1.00 0.13 H new ATOM 0 HA3 GLY A 18 9.767 -14.038 10.006 1.00 0.13 H new ATOM 290 N GLN A 19 10.680 -13.163 7.241 1.00 0.05 N ATOM 291 CA GLN A 19 11.444 -13.467 6.037 1.00 0.10 C ATOM 292 C GLN A 19 12.126 -12.207 5.513 1.00 0.05 C ATOM 293 O GLN A 19 11.614 -11.103 5.686 1.00 0.08 O ATOM 294 CB GLN A 19 10.528 -14.051 4.955 1.00 0.19 C ATOM 295 CG GLN A 19 11.040 -15.344 4.329 1.00 0.14 C ATOM 296 CD GLN A 19 12.553 -15.404 4.239 1.00 0.49 C ATOM 297 OE1 GLN A 19 13.213 -15.951 5.119 1.00 0.68 O ATOM 298 NE2 GLN A 19 13.113 -14.831 3.184 1.00 0.67 N ATOM 0 H GLN A 19 9.796 -12.684 7.072 1.00 0.05 H new ATOM 0 HA GLN A 19 12.205 -14.205 6.289 1.00 0.10 H new ATOM 0 HB2 GLN A 19 9.545 -14.236 5.389 1.00 0.19 H new ATOM 0 HB3 GLN A 19 10.395 -13.308 4.168 1.00 0.19 H new ATOM 0 HG2 GLN A 19 10.683 -16.191 4.916 1.00 0.14 H new ATOM 0 HG3 GLN A 19 10.618 -15.448 3.329 1.00 0.14 H new ATOM 0 HE21 GLN A 19 12.529 -14.387 2.475 1.00 0.67 H new ATOM 0 HE22 GLN A 19 14.128 -14.834 3.081 1.00 0.67 H new ATOM 307 N ASP A 20 13.280 -12.374 4.890 1.00 0.12 N ATOM 308 CA ASP A 20 14.012 -11.245 4.338 1.00 0.10 C ATOM 309 C ASP A 20 13.631 -11.041 2.876 1.00 0.09 C ATOM 310 O ASP A 20 13.488 -12.002 2.116 1.00 0.10 O ATOM 311 CB ASP A 20 15.527 -11.450 4.478 1.00 0.17 C ATOM 312 CG ASP A 20 16.077 -12.536 3.570 1.00 0.39 C ATOM 313 OD1 ASP A 20 15.780 -13.726 3.805 1.00 0.49 O1- ATOM 314 OD2 ASP A 20 16.826 -12.205 2.626 1.00 0.55 O ATOM 0 H ASP A 20 13.730 -13.279 4.753 1.00 0.12 H new ATOM 0 HA ASP A 20 13.743 -10.351 4.900 1.00 0.10 H new ATOM 0 HB2 ASP A 20 16.035 -10.511 4.257 1.00 0.17 H new ATOM 0 HB3 ASP A 20 15.758 -11.701 5.513 1.00 0.17 H new ATOM 319 N TYR A 21 13.435 -9.790 2.492 1.00 0.07 N ATOM 320 CA TYR A 21 13.061 -9.457 1.128 1.00 0.07 C ATOM 321 C TYR A 21 13.886 -8.287 0.623 1.00 0.07 C ATOM 322 O TYR A 21 14.538 -7.594 1.402 1.00 0.16 O ATOM 323 CB TYR A 21 11.571 -9.109 1.045 1.00 0.05 C ATOM 324 CG TYR A 21 10.651 -10.227 1.481 1.00 0.07 C ATOM 325 CD1 TYR A 21 10.407 -11.315 0.653 1.00 0.05 C ATOM 326 CD2 TYR A 21 10.030 -10.194 2.722 1.00 0.15 C ATOM 327 CE1 TYR A 21 9.572 -12.339 1.051 1.00 0.08 C ATOM 328 CE2 TYR A 21 9.192 -11.214 3.127 1.00 0.17 C ATOM 329 CZ TYR A 21 8.966 -12.284 2.287 1.00 0.12 C ATOM 330 OH TYR A 21 8.134 -13.305 2.687 1.00 0.15 O ATOM 0 H TYR A 21 13.530 -8.984 3.110 1.00 0.07 H new ATOM 0 HA TYR A 21 13.255 -10.328 0.502 1.00 0.07 H new ATOM 0 HB2 TYR A 21 11.379 -8.232 1.664 1.00 0.05 H new ATOM 0 HB3 TYR A 21 11.330 -8.834 0.018 1.00 0.05 H new ATOM 0 HD1 TYR A 21 10.878 -11.360 -0.318 1.00 0.05 H new ATOM 0 HD2 TYR A 21 10.205 -9.357 3.382 1.00 0.15 H new ATOM 0 HE1 TYR A 21 9.394 -13.180 0.397 1.00 0.08 H new ATOM 0 HE2 TYR A 21 8.716 -11.174 4.096 1.00 0.17 H new ATOM 0 HH TYR A 21 7.789 -13.113 3.584 1.00 0.15 H new ATOM 340 N THR A 22 13.857 -8.074 -0.678 1.00 0.19 N ATOM 341 CA THR A 22 14.593 -6.988 -1.294 1.00 0.20 C ATOM 342 C THR A 22 13.708 -6.264 -2.302 1.00 0.21 C ATOM 343 O THR A 22 13.175 -6.884 -3.227 1.00 0.38 O ATOM 344 CB THR A 22 15.862 -7.512 -1.995 1.00 0.25 C ATOM 345 OG1 THR A 22 16.468 -8.543 -1.197 1.00 0.19 O ATOM 346 CG2 THR A 22 16.861 -6.389 -2.225 1.00 0.32 C ATOM 0 H THR A 22 13.326 -8.646 -1.335 1.00 0.19 H new ATOM 0 HA THR A 22 14.894 -6.292 -0.511 1.00 0.20 H new ATOM 0 HB THR A 22 15.574 -7.920 -2.964 1.00 0.25 H new ATOM 0 HG1 THR A 22 17.273 -8.874 -1.647 1.00 0.19 H new ATOM 0 HG21 THR A 22 17.747 -6.786 -2.721 1.00 0.32 H new ATOM 0 HG22 THR A 22 16.407 -5.621 -2.852 1.00 0.32 H new ATOM 0 HG23 THR A 22 17.146 -5.954 -1.267 1.00 0.32 H new ATOM 354 N ILE A 23 13.542 -4.959 -2.119 1.00 0.16 N ATOM 355 CA ILE A 23 12.698 -4.162 -3.004 1.00 0.16 C ATOM 356 C ILE A 23 13.362 -2.834 -3.334 1.00 0.15 C ATOM 357 O ILE A 23 14.329 -2.438 -2.686 1.00 0.13 O ATOM 358 CB ILE A 23 11.291 -3.874 -2.405 1.00 0.17 C ATOM 359 CG1 ILE A 23 11.379 -2.954 -1.165 1.00 0.05 C ATOM 360 CG2 ILE A 23 10.551 -5.174 -2.097 1.00 0.31 C ATOM 361 CD1 ILE A 23 11.737 -3.642 0.144 1.00 0.06 C ATOM 0 H ILE A 23 13.981 -4.429 -1.366 1.00 0.16 H new ATOM 0 HA ILE A 23 12.569 -4.759 -3.907 1.00 0.16 H new ATOM 0 HB ILE A 23 10.712 -3.338 -3.157 1.00 0.17 H new ATOM 0 HG12 ILE A 23 12.121 -2.180 -1.362 1.00 0.05 H new ATOM 0 HG13 ILE A 23 10.420 -2.452 -1.039 1.00 0.05 H new ATOM 0 HG21 ILE A 23 9.571 -4.944 -1.679 1.00 0.31 H new ATOM 0 HG22 ILE A 23 10.429 -5.749 -3.015 1.00 0.31 H new ATOM 0 HG23 ILE A 23 11.125 -5.757 -1.377 1.00 0.31 H new ATOM 0 HD11 ILE A 23 11.771 -2.904 0.945 1.00 0.06 H new ATOM 0 HD12 ILE A 23 10.985 -4.396 0.376 1.00 0.06 H new ATOM 0 HD13 ILE A 23 12.712 -4.120 0.049 1.00 0.06 H new ATOM 373 N VAL A 24 12.837 -2.154 -4.344 1.00 0.16 N ATOM 374 CA VAL A 24 13.369 -0.866 -4.763 1.00 0.15 C ATOM 375 C VAL A 24 12.951 0.221 -3.775 1.00 0.15 C ATOM 376 O VAL A 24 11.760 0.451 -3.566 1.00 0.15 O ATOM 377 CB VAL A 24 12.888 -0.486 -6.181 1.00 0.17 C ATOM 378 CG1 VAL A 24 13.422 0.879 -6.593 1.00 0.17 C ATOM 379 CG2 VAL A 24 13.304 -1.547 -7.189 1.00 0.18 C ATOM 0 H VAL A 24 12.038 -2.476 -4.891 1.00 0.16 H new ATOM 0 HA VAL A 24 14.456 -0.949 -4.782 1.00 0.15 H new ATOM 0 HB VAL A 24 11.800 -0.432 -6.163 1.00 0.17 H new ATOM 0 HG11 VAL A 24 13.068 1.121 -7.595 1.00 0.17 H new ATOM 0 HG12 VAL A 24 13.069 1.635 -5.891 1.00 0.17 H new ATOM 0 HG13 VAL A 24 14.512 0.860 -6.588 1.00 0.17 H new ATOM 0 HG21 VAL A 24 12.956 -1.262 -8.182 1.00 0.18 H new ATOM 0 HG22 VAL A 24 14.390 -1.636 -7.197 1.00 0.18 H new ATOM 0 HG23 VAL A 24 12.864 -2.505 -6.912 1.00 0.18 H new ATOM 389 N GLY A 25 13.929 0.874 -3.162 1.00 0.14 N ATOM 390 CA GLY A 25 13.629 1.914 -2.205 1.00 0.13 C ATOM 391 C GLY A 25 14.837 2.755 -1.864 1.00 0.11 C ATOM 392 O GLY A 25 15.578 2.444 -0.935 1.00 0.08 O ATOM 0 H GLY A 25 14.923 0.701 -3.312 1.00 0.14 H new ATOM 0 HA2 GLY A 25 12.845 2.556 -2.606 1.00 0.13 H new ATOM 0 HA3 GLY A 25 13.236 1.462 -1.294 1.00 0.13 H new ATOM 396 N ALA A 26 15.042 3.823 -2.619 1.00 0.15 N ATOM 397 CA ALA A 26 16.165 4.717 -2.378 1.00 0.17 C ATOM 398 C ALA A 26 15.659 6.080 -1.937 1.00 0.12 C ATOM 399 O ALA A 26 16.412 7.051 -1.886 1.00 0.19 O ATOM 400 CB ALA A 26 17.019 4.854 -3.622 1.00 0.27 C ATOM 0 H ALA A 26 14.447 4.092 -3.403 1.00 0.15 H new ATOM 0 HA ALA A 26 16.781 4.292 -1.585 1.00 0.17 H new ATOM 0 HB1 ALA A 26 17.852 5.527 -3.419 1.00 0.27 H new ATOM 0 HB2 ALA A 26 17.404 3.875 -3.909 1.00 0.27 H new ATOM 0 HB3 ALA A 26 16.416 5.259 -4.435 1.00 0.27 H new ATOM 406 N GLU A 27 14.369 6.128 -1.628 1.00 0.11 N ATOM 407 CA GLU A 27 13.702 7.355 -1.197 1.00 0.05 C ATOM 408 C GLU A 27 14.401 7.933 0.029 1.00 0.10 C ATOM 409 O GLU A 27 14.864 9.075 0.020 1.00 0.20 O ATOM 410 CB GLU A 27 12.218 7.090 -0.874 1.00 0.11 C ATOM 411 CG GLU A 27 11.503 6.137 -1.839 1.00 0.78 C ATOM 412 CD GLU A 27 11.841 6.389 -3.296 1.00 1.22 C ATOM 413 OE1 GLU A 27 11.243 7.299 -3.899 1.00 1.46 O ATOM 414 OE2 GLU A 27 12.708 5.676 -3.852 1.00 1.58 O1- ATOM 0 H GLU A 27 13.753 5.316 -1.669 1.00 0.11 H new ATOM 0 HA GLU A 27 13.756 8.074 -2.014 1.00 0.05 H new ATOM 0 HB2 GLU A 27 12.149 6.681 0.134 1.00 0.11 H new ATOM 0 HB3 GLU A 27 11.688 8.042 -0.869 1.00 0.11 H new ATOM 0 HG2 GLU A 27 11.766 5.110 -1.585 1.00 0.78 H new ATOM 0 HG3 GLU A 27 10.426 6.233 -1.702 1.00 0.78 H new ATOM 421 N SER A 28 14.493 7.125 1.071 1.00 0.11 N ATOM 422 CA SER A 28 15.138 7.531 2.303 1.00 0.17 C ATOM 423 C SER A 28 15.568 6.299 3.084 1.00 0.18 C ATOM 424 O SER A 28 14.744 5.430 3.375 1.00 0.15 O ATOM 425 CB SER A 28 14.192 8.396 3.142 1.00 0.18 C ATOM 426 OG SER A 28 14.530 8.349 4.521 1.00 0.26 O ATOM 0 H SER A 28 14.124 6.174 1.085 1.00 0.11 H new ATOM 0 HA SER A 28 16.020 8.126 2.065 1.00 0.17 H new ATOM 0 HB2 SER A 28 14.233 9.427 2.791 1.00 0.18 H new ATOM 0 HB3 SER A 28 13.166 8.053 3.006 1.00 0.18 H new ATOM 0 HG SER A 28 13.909 8.912 5.029 1.00 0.26 H new ATOM 432 N PRO A 29 16.860 6.208 3.439 1.00 0.23 N ATOM 433 CA PRO A 29 17.403 5.071 4.191 1.00 0.26 C ATOM 434 C PRO A 29 16.739 4.904 5.555 1.00 0.28 C ATOM 435 O PRO A 29 16.753 3.820 6.140 1.00 0.34 O ATOM 436 CB PRO A 29 18.891 5.407 4.353 1.00 0.31 C ATOM 437 CG PRO A 29 18.994 6.873 4.098 1.00 0.31 C ATOM 438 CD PRO A 29 17.899 7.204 3.125 1.00 0.25 C ATOM 0 HA PRO A 29 17.227 4.129 3.672 1.00 0.26 H new ATOM 0 HB2 PRO A 29 19.244 5.156 5.353 1.00 0.31 H new ATOM 0 HB3 PRO A 29 19.501 4.841 3.648 1.00 0.31 H new ATOM 0 HG2 PRO A 29 18.878 7.439 5.023 1.00 0.31 H new ATOM 0 HG3 PRO A 29 19.971 7.130 3.688 1.00 0.31 H new ATOM 0 HD2 PRO A 29 17.535 8.222 3.259 1.00 0.25 H new ATOM 0 HD3 PRO A 29 18.238 7.121 2.093 1.00 0.25 H new ATOM 446 N ALA A 30 16.146 5.980 6.045 1.00 0.27 N ATOM 447 CA ALA A 30 15.466 5.960 7.326 1.00 0.30 C ATOM 448 C ALA A 30 14.003 5.565 7.149 1.00 0.18 C ATOM 449 O ALA A 30 13.468 4.763 7.918 1.00 0.15 O ATOM 450 CB ALA A 30 15.576 7.317 8.000 1.00 0.41 C ATOM 0 H ALA A 30 16.123 6.883 5.570 1.00 0.27 H new ATOM 0 HA ALA A 30 15.945 5.217 7.963 1.00 0.30 H new ATOM 0 HB1 ALA A 30 15.062 7.289 8.961 1.00 0.41 H new ATOM 0 HB2 ALA A 30 16.627 7.561 8.158 1.00 0.41 H new ATOM 0 HB3 ALA A 30 15.119 8.076 7.366 1.00 0.41 H new ATOM 456 N HIS A 31 13.370 6.115 6.117 1.00 0.13 N ATOM 457 CA HIS A 31 11.965 5.830 5.840 1.00 0.10 C ATOM 458 C HIS A 31 11.771 4.373 5.421 1.00 0.09 C ATOM 459 O HIS A 31 10.839 3.720 5.880 1.00 0.19 O ATOM 460 CB HIS A 31 11.422 6.761 4.749 1.00 0.21 C ATOM 461 CG HIS A 31 9.946 7.026 4.849 1.00 0.05 C ATOM 462 ND1 HIS A 31 9.341 8.125 4.285 1.00 0.28 N ATOM 463 CD2 HIS A 31 8.954 6.331 5.454 1.00 0.12 C ATOM 464 CE1 HIS A 31 8.046 8.097 4.539 1.00 0.41 C ATOM 465 NE2 HIS A 31 7.783 7.019 5.249 1.00 0.32 N ATOM 0 H HIS A 31 13.807 6.760 5.459 1.00 0.13 H new ATOM 0 HA HIS A 31 11.408 6.005 6.761 1.00 0.10 H new ATOM 0 HB2 HIS A 31 11.955 7.710 4.798 1.00 0.21 H new ATOM 0 HB3 HIS A 31 11.637 6.325 3.774 1.00 0.21 H new ATOM 0 HD1 HIS A 31 9.820 8.851 3.752 1.00 0.28 H new ATOM 0 HD2 HIS A 31 9.063 5.405 5.998 1.00 0.12 H new ATOM 0 HE1 HIS A 31 7.324 8.834 4.219 1.00 0.41 H new ATOM 474 N ILE A 32 12.662 3.866 4.569 1.00 0.08 N ATOM 475 CA ILE A 32 12.565 2.484 4.088 1.00 0.20 C ATOM 476 C ILE A 32 12.648 1.470 5.228 1.00 0.27 C ATOM 477 O ILE A 32 12.194 0.338 5.090 1.00 0.36 O ATOM 478 CB ILE A 32 13.645 2.149 3.028 1.00 0.23 C ATOM 479 CG1 ILE A 32 15.060 2.290 3.620 1.00 0.25 C ATOM 480 CG2 ILE A 32 13.471 3.040 1.803 1.00 0.18 C ATOM 481 CD1 ILE A 32 16.173 1.902 2.665 1.00 0.30 C ATOM 0 H ILE A 32 13.456 4.387 4.198 1.00 0.08 H new ATOM 0 HA ILE A 32 11.584 2.409 3.620 1.00 0.20 H new ATOM 0 HB ILE A 32 13.520 1.111 2.720 1.00 0.23 H new ATOM 0 HG12 ILE A 32 15.209 3.323 3.934 1.00 0.25 H new ATOM 0 HG13 ILE A 32 15.131 1.671 4.514 1.00 0.25 H new ATOM 0 HG21 ILE A 32 14.235 2.796 1.064 1.00 0.18 H new ATOM 0 HG22 ILE A 32 12.484 2.876 1.371 1.00 0.18 H new ATOM 0 HG23 ILE A 32 13.570 4.085 2.096 1.00 0.18 H new ATOM 0 HD11 ILE A 32 17.137 2.030 3.158 1.00 0.30 H new ATOM 0 HD12 ILE A 32 16.052 0.860 2.369 1.00 0.30 H new ATOM 0 HD13 ILE A 32 16.131 2.537 1.780 1.00 0.30 H new ATOM 493 N ARG A 33 13.206 1.886 6.359 1.00 0.25 N ATOM 494 CA ARG A 33 13.328 0.994 7.509 1.00 0.32 C ATOM 495 C ARG A 33 11.969 0.755 8.157 1.00 0.34 C ATOM 496 O ARG A 33 11.637 -0.370 8.522 1.00 0.57 O ATOM 497 CB ARG A 33 14.309 1.551 8.547 1.00 0.34 C ATOM 498 CG ARG A 33 15.637 0.815 8.582 1.00 0.38 C ATOM 499 CD ARG A 33 16.391 0.961 7.270 1.00 0.37 C ATOM 500 NE ARG A 33 17.652 0.225 7.278 1.00 0.36 N ATOM 501 CZ ARG A 33 18.856 0.795 7.218 1.00 0.68 C ATOM 502 NH1 ARG A 33 18.975 2.115 7.111 1.00 1.01 N1+ ATOM 503 NH2 ARG A 33 19.947 0.042 7.253 1.00 0.84 N ATOM 0 H ARG A 33 13.578 2.824 6.505 1.00 0.25 H new ATOM 0 HA ARG A 33 13.717 0.044 7.143 1.00 0.32 H new ATOM 0 HB2 ARG A 33 14.492 2.604 8.334 1.00 0.34 H new ATOM 0 HB3 ARG A 33 13.849 1.501 9.534 1.00 0.34 H new ATOM 0 HG2 ARG A 33 16.247 1.202 9.398 1.00 0.38 H new ATOM 0 HG3 ARG A 33 15.463 -0.241 8.787 1.00 0.38 H new ATOM 0 HD2 ARG A 33 15.767 0.602 6.452 1.00 0.37 H new ATOM 0 HD3 ARG A 33 16.588 2.016 7.081 1.00 0.37 H new ATOM 0 HE ARG A 33 17.609 -0.793 7.333 1.00 0.36 H new ATOM 0 HH11 ARG A 33 18.141 2.701 7.074 1.00 1.01 H new ATOM 0 HH12 ARG A 33 19.900 2.542 7.066 1.00 1.01 H new ATOM 0 HH21 ARG A 33 19.865 -0.972 7.326 1.00 0.84 H new ATOM 0 HH22 ARG A 33 20.869 0.477 7.207 1.00 0.84 H new ATOM 517 N LEU A 34 11.170 1.811 8.274 1.00 0.14 N ATOM 518 CA LEU A 34 9.855 1.689 8.888 1.00 0.15 C ATOM 519 C LEU A 34 8.832 1.166 7.884 1.00 0.16 C ATOM 520 O LEU A 34 7.756 0.717 8.265 1.00 0.17 O ATOM 521 CB LEU A 34 9.397 3.028 9.485 1.00 0.13 C ATOM 522 CG LEU A 34 9.149 4.156 8.483 1.00 0.07 C ATOM 523 CD1 LEU A 34 7.658 4.332 8.228 1.00 0.12 C ATOM 524 CD2 LEU A 34 9.757 5.455 8.989 1.00 0.04 C ATOM 0 H LEU A 34 11.407 2.750 7.955 1.00 0.14 H new ATOM 0 HA LEU A 34 9.932 0.968 9.701 1.00 0.15 H new ATOM 0 HB2 LEU A 34 8.478 2.858 10.046 1.00 0.13 H new ATOM 0 HB3 LEU A 34 10.150 3.362 10.199 1.00 0.13 H new ATOM 0 HG LEU A 34 9.628 3.890 7.541 1.00 0.07 H new ATOM 0 HD11 LEU A 34 7.504 5.140 7.512 1.00 0.12 H new ATOM 0 HD12 LEU A 34 7.246 3.407 7.825 1.00 0.12 H new ATOM 0 HD13 LEU A 34 7.155 4.576 9.164 1.00 0.12 H new ATOM 0 HD21 LEU A 34 9.573 6.249 8.265 1.00 0.04 H new ATOM 0 HD22 LEU A 34 9.303 5.721 9.944 1.00 0.04 H new ATOM 0 HD23 LEU A 34 10.831 5.327 9.121 1.00 0.04 H new ATOM 536 N VAL A 35 9.182 1.219 6.600 1.00 0.16 N ATOM 537 CA VAL A 35 8.297 0.730 5.544 1.00 0.16 C ATOM 538 C VAL A 35 8.023 -0.758 5.743 1.00 0.13 C ATOM 539 O VAL A 35 6.877 -1.207 5.683 1.00 0.12 O ATOM 540 CB VAL A 35 8.900 0.960 4.134 1.00 0.20 C ATOM 541 CG1 VAL A 35 8.101 0.215 3.073 1.00 0.18 C ATOM 542 CG2 VAL A 35 8.955 2.443 3.802 1.00 0.25 C ATOM 0 H VAL A 35 10.070 1.595 6.266 1.00 0.16 H new ATOM 0 HA VAL A 35 7.366 1.293 5.609 1.00 0.16 H new ATOM 0 HB VAL A 35 9.917 0.568 4.141 1.00 0.20 H new ATOM 0 HG11 VAL A 35 8.544 0.392 2.093 1.00 0.18 H new ATOM 0 HG12 VAL A 35 8.115 -0.853 3.290 1.00 0.18 H new ATOM 0 HG13 VAL A 35 7.071 0.572 3.076 1.00 0.18 H new ATOM 0 HG21 VAL A 35 9.382 2.578 2.808 1.00 0.25 H new ATOM 0 HG22 VAL A 35 7.947 2.858 3.824 1.00 0.25 H new ATOM 0 HG23 VAL A 35 9.575 2.957 4.536 1.00 0.25 H new ATOM 552 N ALA A 36 9.086 -1.508 6.003 1.00 0.14 N ATOM 553 CA ALA A 36 8.978 -2.942 6.226 1.00 0.15 C ATOM 554 C ALA A 36 8.206 -3.229 7.507 1.00 0.12 C ATOM 555 O ALA A 36 7.357 -4.119 7.546 1.00 0.11 O ATOM 556 CB ALA A 36 10.363 -3.563 6.296 1.00 0.18 C ATOM 0 H ALA A 36 10.037 -1.144 6.065 1.00 0.14 H new ATOM 0 HA ALA A 36 8.434 -3.384 5.391 1.00 0.15 H new ATOM 0 HB1 ALA A 36 10.272 -4.636 6.463 1.00 0.18 H new ATOM 0 HB2 ALA A 36 10.889 -3.385 5.358 1.00 0.18 H new ATOM 0 HB3 ALA A 36 10.922 -3.114 7.117 1.00 0.18 H new ATOM 562 N ALA A 37 8.502 -2.455 8.545 1.00 0.13 N ATOM 563 CA ALA A 37 7.850 -2.611 9.839 1.00 0.11 C ATOM 564 C ALA A 37 6.362 -2.297 9.747 1.00 0.14 C ATOM 565 O ALA A 37 5.552 -2.861 10.483 1.00 0.20 O ATOM 566 CB ALA A 37 8.518 -1.718 10.873 1.00 0.13 C ATOM 0 H ALA A 37 9.195 -1.707 8.514 1.00 0.13 H new ATOM 0 HA ALA A 37 7.954 -3.651 10.149 1.00 0.11 H new ATOM 0 HB1 ALA A 37 8.023 -1.843 11.836 1.00 0.13 H new ATOM 0 HB2 ALA A 37 9.569 -1.993 10.967 1.00 0.13 H new ATOM 0 HB3 ALA A 37 8.442 -0.677 10.558 1.00 0.13 H new ATOM 572 N PHE A 38 6.008 -1.392 8.842 1.00 0.15 N ATOM 573 CA PHE A 38 4.621 -1.005 8.644 1.00 0.21 C ATOM 574 C PHE A 38 3.813 -2.190 8.126 1.00 0.21 C ATOM 575 O PHE A 38 2.753 -2.516 8.663 1.00 0.28 O ATOM 576 CB PHE A 38 4.532 0.169 7.666 1.00 0.26 C ATOM 577 CG PHE A 38 3.137 0.682 7.461 1.00 0.34 C ATOM 578 CD1 PHE A 38 2.475 1.352 8.477 1.00 0.41 C ATOM 579 CD2 PHE A 38 2.484 0.490 6.253 1.00 0.35 C ATOM 580 CE1 PHE A 38 1.192 1.823 8.293 1.00 0.50 C ATOM 581 CE2 PHE A 38 1.199 0.959 6.063 1.00 0.43 C ATOM 582 CZ PHE A 38 0.552 1.626 7.086 1.00 0.50 C ATOM 0 H PHE A 38 6.669 -0.911 8.231 1.00 0.15 H new ATOM 0 HA PHE A 38 4.205 -0.691 9.601 1.00 0.21 H new ATOM 0 HB2 PHE A 38 5.158 0.983 8.032 1.00 0.26 H new ATOM 0 HB3 PHE A 38 4.941 -0.140 6.704 1.00 0.26 H new ATOM 0 HD1 PHE A 38 2.970 1.507 9.424 1.00 0.41 H new ATOM 0 HD2 PHE A 38 2.986 -0.032 5.452 1.00 0.35 H new ATOM 0 HE1 PHE A 38 0.688 2.346 9.093 1.00 0.50 H new ATOM 0 HE2 PHE A 38 0.701 0.805 5.117 1.00 0.43 H new ATOM 0 HZ PHE A 38 -0.453 1.993 6.941 1.00 0.50 H new ATOM 592 N VAL A 39 4.326 -2.841 7.088 1.00 0.16 N ATOM 593 CA VAL A 39 3.653 -3.996 6.506 1.00 0.17 C ATOM 594 C VAL A 39 3.684 -5.167 7.478 1.00 0.16 C ATOM 595 O VAL A 39 2.724 -5.936 7.575 1.00 0.18 O ATOM 596 CB VAL A 39 4.296 -4.416 5.164 1.00 0.15 C ATOM 597 CG1 VAL A 39 3.521 -5.561 4.522 1.00 0.17 C ATOM 598 CG2 VAL A 39 4.380 -3.228 4.221 1.00 0.15 C ATOM 0 H VAL A 39 5.204 -2.589 6.633 1.00 0.16 H new ATOM 0 HA VAL A 39 2.620 -3.710 6.311 1.00 0.17 H new ATOM 0 HB VAL A 39 5.307 -4.768 5.367 1.00 0.15 H new ATOM 0 HG11 VAL A 39 3.994 -5.837 3.580 1.00 0.17 H new ATOM 0 HG12 VAL A 39 3.519 -6.420 5.193 1.00 0.17 H new ATOM 0 HG13 VAL A 39 2.495 -5.245 4.334 1.00 0.17 H new ATOM 0 HG21 VAL A 39 4.835 -3.541 3.281 1.00 0.15 H new ATOM 0 HG22 VAL A 39 3.378 -2.844 4.029 1.00 0.15 H new ATOM 0 HG23 VAL A 39 4.987 -2.445 4.675 1.00 0.15 H new ATOM 608 N ASP A 40 4.789 -5.281 8.206 1.00 0.12 N ATOM 609 CA ASP A 40 4.952 -6.347 9.188 1.00 0.11 C ATOM 610 C ASP A 40 3.873 -6.233 10.258 1.00 0.12 C ATOM 611 O ASP A 40 3.193 -7.208 10.566 1.00 0.13 O ATOM 612 CB ASP A 40 6.342 -6.276 9.840 1.00 0.09 C ATOM 613 CG ASP A 40 6.866 -7.639 10.266 1.00 0.09 C ATOM 614 OD1 ASP A 40 6.192 -8.339 11.046 1.00 1.03 O ATOM 615 OD2 ASP A 40 7.976 -8.016 9.826 1.00 1.14 O1- ATOM 0 H ASP A 40 5.586 -4.648 8.135 1.00 0.12 H new ATOM 0 HA ASP A 40 4.857 -7.306 8.678 1.00 0.11 H new ATOM 0 HB2 ASP A 40 7.044 -5.825 9.139 1.00 0.09 H new ATOM 0 HB3 ASP A 40 6.297 -5.621 10.710 1.00 0.09 H new ATOM 620 N ASP A 41 3.703 -5.027 10.797 1.00 0.12 N ATOM 621 CA ASP A 41 2.702 -4.771 11.828 1.00 0.13 C ATOM 622 C ASP A 41 1.290 -4.964 11.282 1.00 0.09 C ATOM 623 O ASP A 41 0.443 -5.576 11.937 1.00 0.07 O ATOM 624 CB ASP A 41 2.849 -3.352 12.380 1.00 0.16 C ATOM 625 CG ASP A 41 1.711 -2.976 13.308 1.00 0.13 C ATOM 626 OD1 ASP A 41 1.705 -3.444 14.467 1.00 0.12 O1- ATOM 627 OD2 ASP A 41 0.815 -2.210 12.886 1.00 0.22 O ATOM 0 H ASP A 41 4.250 -4.207 10.534 1.00 0.12 H new ATOM 0 HA ASP A 41 2.866 -5.487 12.633 1.00 0.13 H new ATOM 0 HB2 ASP A 41 3.795 -3.269 12.916 1.00 0.16 H new ATOM 0 HB3 ASP A 41 2.889 -2.644 11.552 1.00 0.16 H new ATOM 632 N LYS A 42 1.047 -4.448 10.079 1.00 0.10 N ATOM 633 CA LYS A 42 -0.261 -4.558 9.444 1.00 0.11 C ATOM 634 C LYS A 42 -0.661 -6.024 9.299 1.00 0.03 C ATOM 635 O LYS A 42 -1.716 -6.434 9.779 1.00 0.07 O ATOM 636 CB LYS A 42 -0.259 -3.862 8.077 1.00 0.19 C ATOM 637 CG LYS A 42 -1.600 -3.916 7.350 1.00 0.26 C ATOM 638 CD LYS A 42 -2.650 -3.038 8.014 1.00 0.28 C ATOM 639 CE LYS A 42 -3.706 -3.876 8.724 1.00 0.31 C ATOM 640 NZ LYS A 42 -4.543 -3.060 9.639 1.00 0.38 N1+ ATOM 0 H LYS A 42 1.742 -3.948 9.524 1.00 0.10 H new ATOM 0 HA LYS A 42 -0.995 -4.061 10.079 1.00 0.11 H new ATOM 0 HB2 LYS A 42 0.027 -2.819 8.212 1.00 0.19 H new ATOM 0 HB3 LYS A 42 0.503 -4.322 7.448 1.00 0.19 H new ATOM 0 HG2 LYS A 42 -1.464 -3.598 6.316 1.00 0.26 H new ATOM 0 HG3 LYS A 42 -1.955 -4.946 7.322 1.00 0.26 H new ATOM 0 HD2 LYS A 42 -2.169 -2.372 8.731 1.00 0.28 H new ATOM 0 HD3 LYS A 42 -3.127 -2.408 7.264 1.00 0.28 H new ATOM 0 HE2 LYS A 42 -4.344 -4.359 7.983 1.00 0.31 H new ATOM 0 HE3 LYS A 42 -3.218 -4.670 9.290 1.00 0.31 H new ATOM 0 HZ1 LYS A 42 -5.393 -3.597 9.903 1.00 0.38 H new ATOM 0 HZ2 LYS A 42 -3.999 -2.830 10.495 1.00 0.38 H new ATOM 0 HZ3 LYS A 42 -4.824 -2.180 9.161 1.00 0.38 H new ATOM 654 N MET A 43 0.189 -6.810 8.645 1.00 0.07 N ATOM 655 CA MET A 43 -0.075 -8.227 8.461 1.00 0.12 C ATOM 656 C MET A 43 -0.137 -8.934 9.813 1.00 0.16 C ATOM 657 O MET A 43 -0.928 -9.859 10.003 1.00 0.35 O ATOM 658 CB MET A 43 1.017 -8.852 7.590 1.00 0.18 C ATOM 659 CG MET A 43 0.667 -10.234 7.064 1.00 0.16 C ATOM 660 SD MET A 43 1.865 -10.847 5.861 1.00 0.26 S ATOM 661 CE MET A 43 1.759 -9.581 4.600 1.00 0.29 C ATOM 0 H MET A 43 1.065 -6.487 8.235 1.00 0.07 H new ATOM 0 HA MET A 43 -1.037 -8.344 7.962 1.00 0.12 H new ATOM 0 HB2 MET A 43 1.217 -8.192 6.746 1.00 0.18 H new ATOM 0 HB3 MET A 43 1.938 -8.917 8.169 1.00 0.18 H new ATOM 0 HG2 MET A 43 0.608 -10.932 7.899 1.00 0.16 H new ATOM 0 HG3 MET A 43 -0.321 -10.203 6.604 1.00 0.16 H new ATOM 0 HE1 MET A 43 2.029 -10.007 3.634 1.00 0.29 H new ATOM 0 HE2 MET A 43 0.740 -9.197 4.555 1.00 0.29 H new ATOM 0 HE3 MET A 43 2.443 -8.768 4.842 1.00 0.29 H new ATOM 671 N HIS A 44 0.692 -8.481 10.751 1.00 0.02 N ATOM 672 CA HIS A 44 0.742 -9.056 12.092 1.00 0.04 C ATOM 673 C HIS A 44 -0.605 -8.929 12.798 1.00 0.05 C ATOM 674 O HIS A 44 -1.158 -9.919 13.273 1.00 0.20 O ATOM 675 CB HIS A 44 1.826 -8.367 12.929 1.00 0.08 C ATOM 676 CG HIS A 44 1.941 -8.885 14.330 1.00 0.11 C ATOM 677 ND1 HIS A 44 1.611 -8.135 15.440 1.00 0.27 N ATOM 678 CD2 HIS A 44 2.346 -10.089 14.798 1.00 0.29 C ATOM 679 CE1 HIS A 44 1.811 -8.855 16.527 1.00 0.38 C ATOM 680 NE2 HIS A 44 2.253 -10.047 16.168 1.00 0.40 N ATOM 0 H HIS A 44 1.344 -7.710 10.604 1.00 0.02 H new ATOM 0 HA HIS A 44 0.982 -10.114 11.989 1.00 0.04 H new ATOM 0 HB2 HIS A 44 2.787 -8.487 12.429 1.00 0.08 H new ATOM 0 HB3 HIS A 44 1.617 -7.298 12.965 1.00 0.08 H new ATOM 0 HD2 HIS A 44 2.680 -10.927 14.204 1.00 0.29 H new ATOM 0 HE1 HIS A 44 1.642 -8.525 17.541 1.00 0.38 H new ATOM 0 HE2 HIS A 44 2.487 -10.810 16.803 1.00 0.40 H new ATOM 689 N GLU A 45 -1.134 -7.712 12.862 1.00 0.16 N ATOM 690 CA GLU A 45 -2.411 -7.477 13.524 1.00 0.15 C ATOM 691 C GLU A 45 -3.564 -8.064 12.714 1.00 0.15 C ATOM 692 O GLU A 45 -4.647 -8.311 13.240 1.00 0.17 O ATOM 693 CB GLU A 45 -2.639 -5.980 13.767 1.00 0.12 C ATOM 694 CG GLU A 45 -2.960 -5.182 12.507 1.00 0.09 C ATOM 695 CD GLU A 45 -3.674 -3.881 12.808 1.00 0.12 C ATOM 696 OE1 GLU A 45 -4.519 -3.861 13.730 1.00 0.21 O1- ATOM 697 OE2 GLU A 45 -3.398 -2.872 12.118 1.00 0.16 O ATOM 0 H GLU A 45 -0.701 -6.878 12.466 1.00 0.16 H new ATOM 0 HA GLU A 45 -2.378 -7.980 14.490 1.00 0.15 H new ATOM 0 HB2 GLU A 45 -3.457 -5.859 14.478 1.00 0.12 H new ATOM 0 HB3 GLU A 45 -1.748 -5.559 14.232 1.00 0.12 H new ATOM 0 HG2 GLU A 45 -2.035 -4.969 11.971 1.00 0.09 H new ATOM 0 HG3 GLU A 45 -3.580 -5.788 11.846 1.00 0.09 H new ATOM 704 N PHE A 46 -3.322 -8.298 11.432 1.00 0.15 N ATOM 705 CA PHE A 46 -4.341 -8.861 10.563 1.00 0.14 C ATOM 706 C PHE A 46 -4.397 -10.379 10.718 1.00 0.16 C ATOM 707 O PHE A 46 -5.426 -11.006 10.453 1.00 0.17 O ATOM 708 CB PHE A 46 -4.078 -8.468 9.107 1.00 0.14 C ATOM 709 CG PHE A 46 -5.289 -8.578 8.225 1.00 0.15 C ATOM 710 CD1 PHE A 46 -6.485 -7.974 8.586 1.00 0.13 C ATOM 711 CD2 PHE A 46 -5.237 -9.295 7.046 1.00 0.18 C ATOM 712 CE1 PHE A 46 -7.603 -8.086 7.786 1.00 0.14 C ATOM 713 CE2 PHE A 46 -6.350 -9.409 6.239 1.00 0.19 C ATOM 714 CZ PHE A 46 -7.537 -8.805 6.612 1.00 0.17 C ATOM 0 H PHE A 46 -2.431 -8.107 10.973 1.00 0.15 H new ATOM 0 HA PHE A 46 -5.310 -8.456 10.854 1.00 0.14 H new ATOM 0 HB2 PHE A 46 -3.709 -7.443 9.077 1.00 0.14 H new ATOM 0 HB3 PHE A 46 -3.288 -9.102 8.705 1.00 0.14 H new ATOM 0 HD1 PHE A 46 -6.541 -7.409 9.505 1.00 0.13 H new ATOM 0 HD2 PHE A 46 -4.314 -9.772 6.752 1.00 0.18 H new ATOM 0 HE1 PHE A 46 -8.528 -7.611 8.079 1.00 0.14 H new ATOM 0 HE2 PHE A 46 -6.295 -9.969 5.317 1.00 0.19 H new ATOM 0 HZ PHE A 46 -8.411 -8.897 5.984 1.00 0.17 H new ATOM 724 N SER A 47 -3.289 -10.964 11.173 1.00 0.21 N ATOM 725 CA SER A 47 -3.202 -12.409 11.391 1.00 0.23 C ATOM 726 C SER A 47 -4.172 -12.859 12.488 1.00 0.21 C ATOM 727 O SER A 47 -4.506 -14.038 12.592 1.00 0.32 O ATOM 728 CB SER A 47 -1.770 -12.810 11.771 1.00 0.25 C ATOM 729 OG SER A 47 -0.833 -12.381 10.795 1.00 0.76 O ATOM 0 H SER A 47 -2.434 -10.456 11.399 1.00 0.21 H new ATOM 0 HA SER A 47 -3.477 -12.903 10.459 1.00 0.23 H new ATOM 0 HB2 SER A 47 -1.514 -12.376 12.738 1.00 0.25 H new ATOM 0 HB3 SER A 47 -1.712 -13.893 11.882 1.00 0.25 H new ATOM 0 HG SER A 47 -0.804 -11.402 10.778 1.00 0.76 H new ATOM 735 N GLU A 48 -4.617 -11.906 13.299 1.00 0.09 N ATOM 736 CA GLU A 48 -5.548 -12.186 14.386 1.00 0.08 C ATOM 737 C GLU A 48 -6.976 -12.323 13.862 1.00 0.10 C ATOM 738 O GLU A 48 -7.810 -13.006 14.458 1.00 0.07 O ATOM 739 CB GLU A 48 -5.482 -11.069 15.432 1.00 0.11 C ATOM 740 CG GLU A 48 -6.492 -11.233 16.554 1.00 0.06 C ATOM 741 CD GLU A 48 -6.596 -10.016 17.445 1.00 0.28 C ATOM 742 OE1 GLU A 48 -6.769 -8.893 16.918 1.00 0.49 O1- ATOM 743 OE2 GLU A 48 -6.516 -10.177 18.679 1.00 0.61 O ATOM 0 H GLU A 48 -4.346 -10.926 13.223 1.00 0.09 H new ATOM 0 HA GLU A 48 -5.260 -13.131 14.847 1.00 0.08 H new ATOM 0 HB2 GLU A 48 -4.479 -11.039 15.858 1.00 0.11 H new ATOM 0 HB3 GLU A 48 -5.649 -10.111 14.940 1.00 0.11 H new ATOM 0 HG2 GLU A 48 -7.471 -11.445 16.125 1.00 0.06 H new ATOM 0 HG3 GLU A 48 -6.216 -12.096 17.160 1.00 0.06 H new ATOM 750 N LYS A 49 -7.247 -11.682 12.732 1.00 0.14 N ATOM 751 CA LYS A 49 -8.577 -11.707 12.136 1.00 0.18 C ATOM 752 C LYS A 49 -8.845 -13.024 11.420 1.00 0.27 C ATOM 753 O LYS A 49 -9.911 -13.618 11.581 1.00 0.38 O ATOM 754 CB LYS A 49 -8.743 -10.546 11.153 1.00 0.12 C ATOM 755 CG LYS A 49 -8.468 -9.176 11.755 1.00 0.20 C ATOM 756 CD LYS A 49 -9.354 -8.900 12.961 1.00 0.43 C ATOM 757 CE LYS A 49 -9.364 -7.424 13.321 1.00 0.64 C ATOM 758 NZ LYS A 49 -10.315 -6.656 12.475 1.00 0.88 N1+ ATOM 0 H LYS A 49 -6.562 -11.137 12.209 1.00 0.14 H new ATOM 0 HA LYS A 49 -9.300 -11.605 12.946 1.00 0.18 H new ATOM 0 HB2 LYS A 49 -8.072 -10.701 10.308 1.00 0.12 H new ATOM 0 HB3 LYS A 49 -9.759 -10.560 10.759 1.00 0.12 H new ATOM 0 HG2 LYS A 49 -7.421 -9.113 12.051 1.00 0.20 H new ATOM 0 HG3 LYS A 49 -8.633 -8.408 11.000 1.00 0.20 H new ATOM 0 HD2 LYS A 49 -10.371 -9.230 12.749 1.00 0.43 H new ATOM 0 HD3 LYS A 49 -9.001 -9.481 13.813 1.00 0.43 H new ATOM 0 HE2 LYS A 49 -9.635 -7.308 14.370 1.00 0.64 H new ATOM 0 HE3 LYS A 49 -8.361 -7.014 13.204 1.00 0.64 H new ATOM 0 HZ1 LYS A 49 -10.293 -5.653 12.751 1.00 0.88 H new ATOM 0 HZ2 LYS A 49 -10.042 -6.746 11.476 1.00 0.88 H new ATOM 0 HZ3 LYS A 49 -11.276 -7.030 12.606 1.00 0.88 H new ATOM 772 N GLN A 50 -7.865 -13.468 10.636 1.00 0.30 N ATOM 773 CA GLN A 50 -7.965 -14.711 9.870 1.00 0.41 C ATOM 774 C GLN A 50 -9.260 -14.772 9.053 1.00 0.29 C ATOM 775 O GLN A 50 -10.118 -15.616 9.300 1.00 0.47 O ATOM 776 CB GLN A 50 -7.878 -15.912 10.808 1.00 0.63 C ATOM 777 CG GLN A 50 -6.464 -16.219 11.260 1.00 0.78 C ATOM 778 CD GLN A 50 -6.415 -16.939 12.589 1.00 0.93 C ATOM 779 OE1 GLN A 50 -7.270 -17.769 12.895 1.00 0.94 O ATOM 780 NE2 GLN A 50 -5.421 -16.612 13.396 1.00 1.07 N ATOM 0 H GLN A 50 -6.979 -12.977 10.513 1.00 0.30 H new ATOM 0 HA GLN A 50 -7.131 -14.737 9.169 1.00 0.41 H new ATOM 0 HB2 GLN A 50 -8.500 -15.726 11.684 1.00 0.63 H new ATOM 0 HB3 GLN A 50 -8.289 -16.787 10.305 1.00 0.63 H new ATOM 0 HG2 GLN A 50 -5.970 -16.829 10.503 1.00 0.78 H new ATOM 0 HG3 GLN A 50 -5.902 -15.288 11.336 1.00 0.78 H new ATOM 0 HE21 GLN A 50 -4.733 -15.918 13.103 1.00 1.07 H new ATOM 0 HE22 GLN A 50 -5.342 -17.053 14.312 1.00 1.07 H new ATOM 789 N PRO A 51 -9.413 -13.882 8.059 1.00 0.11 N ATOM 790 CA PRO A 51 -10.617 -13.846 7.226 1.00 0.09 C ATOM 791 C PRO A 51 -10.742 -15.079 6.337 1.00 0.05 C ATOM 792 O PRO A 51 -11.803 -15.692 6.255 1.00 0.20 O ATOM 793 CB PRO A 51 -10.446 -12.584 6.380 1.00 0.32 C ATOM 794 CG PRO A 51 -8.984 -12.288 6.391 1.00 0.44 C ATOM 795 CD PRO A 51 -8.437 -12.847 7.677 1.00 0.34 C ATOM 0 HA PRO A 51 -11.524 -13.838 7.830 1.00 0.09 H new ATOM 0 HB2 PRO A 51 -10.806 -12.742 5.363 1.00 0.32 H new ATOM 0 HB3 PRO A 51 -11.017 -11.754 6.795 1.00 0.32 H new ATOM 0 HG2 PRO A 51 -8.491 -12.742 5.531 1.00 0.44 H new ATOM 0 HG3 PRO A 51 -8.806 -11.214 6.330 1.00 0.44 H new ATOM 0 HD2 PRO A 51 -7.442 -13.269 7.537 1.00 0.34 H new ATOM 0 HD3 PRO A 51 -8.352 -12.076 8.443 1.00 0.34 H new ATOM 803 N MET A 52 -9.652 -15.439 5.672 1.00 0.10 N ATOM 804 CA MET A 52 -9.650 -16.606 4.798 1.00 0.14 C ATOM 805 C MET A 52 -8.867 -17.755 5.424 1.00 0.14 C ATOM 806 O MET A 52 -8.857 -18.866 4.889 1.00 0.16 O ATOM 807 CB MET A 52 -9.050 -16.250 3.437 1.00 0.25 C ATOM 808 CG MET A 52 -9.815 -15.166 2.692 1.00 0.17 C ATOM 809 SD MET A 52 -11.390 -15.745 2.026 1.00 0.22 S ATOM 810 CE MET A 52 -10.824 -16.730 0.644 1.00 1.11 C ATOM 0 H MET A 52 -8.762 -14.943 5.720 1.00 0.10 H new ATOM 0 HA MET A 52 -10.683 -16.925 4.661 1.00 0.14 H new ATOM 0 HB2 MET A 52 -8.020 -15.922 3.579 1.00 0.25 H new ATOM 0 HB3 MET A 52 -9.016 -17.148 2.819 1.00 0.25 H new ATOM 0 HG2 MET A 52 -9.998 -14.329 3.366 1.00 0.17 H new ATOM 0 HG3 MET A 52 -9.198 -14.789 1.876 1.00 0.17 H new ATOM 0 HE1 MET A 52 -11.542 -16.657 -0.173 1.00 1.11 H new ATOM 0 HE2 MET A 52 -9.854 -16.363 0.308 1.00 1.11 H new ATOM 0 HE3 MET A 52 -10.730 -17.771 0.953 1.00 1.11 H new ATOM 820 N LEU A 53 -8.220 -17.474 6.560 1.00 0.15 N ATOM 821 CA LEU A 53 -7.420 -18.465 7.285 1.00 0.17 C ATOM 822 C LEU A 53 -6.385 -19.115 6.372 1.00 0.20 C ATOM 823 O LEU A 53 -6.359 -20.338 6.202 1.00 0.41 O ATOM 824 CB LEU A 53 -8.325 -19.523 7.922 1.00 0.19 C ATOM 825 CG LEU A 53 -9.270 -18.989 8.999 1.00 0.36 C ATOM 826 CD1 LEU A 53 -10.697 -19.413 8.716 1.00 0.31 C ATOM 827 CD2 LEU A 53 -8.834 -19.467 10.376 1.00 0.51 C ATOM 0 H LEU A 53 -8.236 -16.555 7.002 1.00 0.15 H new ATOM 0 HA LEU A 53 -6.882 -17.948 8.079 1.00 0.17 H new ATOM 0 HB2 LEU A 53 -8.918 -19.994 7.138 1.00 0.19 H new ATOM 0 HB3 LEU A 53 -7.700 -20.301 8.360 1.00 0.19 H new ATOM 0 HG LEU A 53 -9.227 -17.900 8.983 1.00 0.36 H new ATOM 0 HD11 LEU A 53 -11.354 -19.023 9.494 1.00 0.31 H new ATOM 0 HD12 LEU A 53 -11.008 -19.020 7.748 1.00 0.31 H new ATOM 0 HD13 LEU A 53 -10.757 -20.501 8.702 1.00 0.31 H new ATOM 0 HD21 LEU A 53 -9.518 -19.077 11.130 1.00 0.51 H new ATOM 0 HD22 LEU A 53 -8.846 -20.557 10.404 1.00 0.51 H new ATOM 0 HD23 LEU A 53 -7.825 -19.110 10.582 1.00 0.51 H new ATOM 839 N ASP A 54 -5.536 -18.284 5.781 1.00 0.04 N ATOM 840 CA ASP A 54 -4.495 -18.750 4.878 1.00 0.08 C ATOM 841 C ASP A 54 -3.441 -17.658 4.711 1.00 0.06 C ATOM 842 O ASP A 54 -3.778 -16.472 4.689 1.00 0.07 O ATOM 843 CB ASP A 54 -5.105 -19.130 3.531 1.00 0.12 C ATOM 844 CG ASP A 54 -4.088 -19.687 2.561 1.00 0.14 C ATOM 845 OD1 ASP A 54 -3.177 -20.413 2.999 1.00 0.21 O ATOM 846 OD2 ASP A 54 -4.146 -19.497 1.351 1.00 0.47 O1- ATOM 0 H ASP A 54 -5.550 -17.273 5.914 1.00 0.04 H new ATOM 0 HA ASP A 54 -4.017 -19.636 5.296 1.00 0.08 H new ATOM 0 HB2 ASP A 54 -5.891 -19.868 3.689 1.00 0.12 H new ATOM 0 HB3 ASP A 54 -5.577 -18.252 3.091 1.00 0.12 H new ATOM 851 N VAL A 55 -2.179 -18.056 4.585 1.00 0.06 N ATOM 852 CA VAL A 55 -1.076 -17.096 4.461 1.00 0.07 C ATOM 853 C VAL A 55 -1.149 -16.256 3.177 1.00 0.06 C ATOM 854 O VAL A 55 -1.135 -15.027 3.256 1.00 0.06 O ATOM 855 CB VAL A 55 0.313 -17.776 4.561 1.00 0.09 C ATOM 856 CG1 VAL A 55 1.380 -16.752 4.927 1.00 0.08 C ATOM 857 CG2 VAL A 55 0.285 -18.913 5.573 1.00 0.13 C ATOM 0 H VAL A 55 -1.890 -19.034 4.566 1.00 0.06 H new ATOM 0 HA VAL A 55 -1.196 -16.422 5.309 1.00 0.07 H new ATOM 0 HB VAL A 55 0.561 -18.198 3.587 1.00 0.09 H new ATOM 0 HG11 VAL A 55 2.350 -17.245 4.993 1.00 0.08 H new ATOM 0 HG12 VAL A 55 1.419 -15.977 4.161 1.00 0.08 H new ATOM 0 HG13 VAL A 55 1.136 -16.300 5.888 1.00 0.08 H new ATOM 0 HG21 VAL A 55 1.270 -19.376 5.627 1.00 0.13 H new ATOM 0 HG22 VAL A 55 0.014 -18.521 6.553 1.00 0.13 H new ATOM 0 HG23 VAL A 55 -0.449 -19.657 5.264 1.00 0.13 H new ATOM 867 N PRO A 56 -1.225 -16.875 1.973 1.00 0.05 N ATOM 868 CA PRO A 56 -1.302 -16.118 0.716 1.00 0.04 C ATOM 869 C PRO A 56 -2.488 -15.161 0.689 1.00 0.04 C ATOM 870 O PRO A 56 -2.398 -14.056 0.156 1.00 0.04 O ATOM 871 CB PRO A 56 -1.474 -17.199 -0.356 1.00 0.05 C ATOM 872 CG PRO A 56 -0.926 -18.436 0.259 1.00 0.06 C ATOM 873 CD PRO A 56 -1.226 -18.332 1.725 1.00 0.06 C ATOM 0 HA PRO A 56 -0.420 -15.494 0.571 1.00 0.04 H new ATOM 0 HB2 PRO A 56 -2.522 -17.323 -0.627 1.00 0.05 H new ATOM 0 HB3 PRO A 56 -0.937 -16.940 -1.269 1.00 0.05 H new ATOM 0 HG2 PRO A 56 -1.387 -19.324 -0.172 1.00 0.06 H new ATOM 0 HG3 PRO A 56 0.147 -18.517 0.084 1.00 0.06 H new ATOM 0 HD2 PRO A 56 -2.188 -18.781 1.971 1.00 0.06 H new ATOM 0 HD3 PRO A 56 -0.474 -18.842 2.326 1.00 0.06 H new ATOM 881 N LYS A 57 -3.595 -15.589 1.283 1.00 0.05 N ATOM 882 CA LYS A 57 -4.804 -14.775 1.328 1.00 0.05 C ATOM 883 C LYS A 57 -4.613 -13.584 2.258 1.00 0.06 C ATOM 884 O LYS A 57 -5.111 -12.490 1.997 1.00 0.08 O ATOM 885 CB LYS A 57 -5.998 -15.609 1.791 1.00 0.06 C ATOM 886 CG LYS A 57 -6.097 -16.971 1.122 1.00 0.09 C ATOM 887 CD LYS A 57 -6.500 -16.867 -0.339 1.00 0.11 C ATOM 888 CE LYS A 57 -5.796 -17.916 -1.187 1.00 0.12 C ATOM 889 NZ LYS A 57 -5.935 -19.284 -0.623 1.00 0.10 N1+ ATOM 0 H LYS A 57 -3.681 -16.496 1.741 1.00 0.05 H new ATOM 0 HA LYS A 57 -5.002 -14.408 0.321 1.00 0.05 H new ATOM 0 HB2 LYS A 57 -5.934 -15.749 2.870 1.00 0.06 H new ATOM 0 HB3 LYS A 57 -6.915 -15.052 1.596 1.00 0.06 H new ATOM 0 HG2 LYS A 57 -5.136 -17.481 1.196 1.00 0.09 H new ATOM 0 HG3 LYS A 57 -6.825 -17.583 1.655 1.00 0.09 H new ATOM 0 HD2 LYS A 57 -7.579 -16.989 -0.429 1.00 0.11 H new ATOM 0 HD3 LYS A 57 -6.259 -15.872 -0.714 1.00 0.11 H new ATOM 0 HE2 LYS A 57 -6.206 -17.898 -2.197 1.00 0.12 H new ATOM 0 HE3 LYS A 57 -4.738 -17.665 -1.268 1.00 0.12 H new ATOM 0 HZ1 LYS A 57 -6.141 -19.956 -1.389 1.00 0.10 H new ATOM 0 HZ2 LYS A 57 -5.049 -19.557 -0.152 1.00 0.10 H new ATOM 0 HZ3 LYS A 57 -6.712 -19.297 0.068 1.00 0.10 H new ATOM 903 N LEU A 58 -3.883 -13.801 3.344 1.00 0.05 N ATOM 904 CA LEU A 58 -3.624 -12.744 4.313 1.00 0.06 C ATOM 905 C LEU A 58 -2.743 -11.665 3.699 1.00 0.06 C ATOM 906 O LEU A 58 -2.972 -10.471 3.898 1.00 0.08 O ATOM 907 CB LEU A 58 -2.940 -13.323 5.558 1.00 0.06 C ATOM 908 CG LEU A 58 -2.955 -12.426 6.799 1.00 0.11 C ATOM 909 CD1 LEU A 58 -4.264 -12.589 7.554 1.00 0.07 C ATOM 910 CD2 LEU A 58 -1.773 -12.746 7.699 1.00 0.17 C ATOM 0 H LEU A 58 -3.460 -14.699 3.576 1.00 0.05 H new ATOM 0 HA LEU A 58 -4.577 -12.301 4.602 1.00 0.06 H new ATOM 0 HB2 LEU A 58 -3.422 -14.268 5.809 1.00 0.06 H new ATOM 0 HB3 LEU A 58 -1.904 -13.550 5.309 1.00 0.06 H new ATOM 0 HG LEU A 58 -2.870 -11.388 6.479 1.00 0.11 H new ATOM 0 HD11 LEU A 58 -4.259 -11.945 8.433 1.00 0.07 H new ATOM 0 HD12 LEU A 58 -5.095 -12.312 6.906 1.00 0.07 H new ATOM 0 HD13 LEU A 58 -4.378 -13.627 7.865 1.00 0.07 H new ATOM 0 HD21 LEU A 58 -1.798 -12.100 8.576 1.00 0.17 H new ATOM 0 HD22 LEU A 58 -1.827 -13.788 8.014 1.00 0.17 H new ATOM 0 HD23 LEU A 58 -0.844 -12.580 7.153 1.00 0.17 H new ATOM 922 N ALA A 59 -1.754 -12.101 2.932 1.00 0.05 N ATOM 923 CA ALA A 59 -0.817 -11.193 2.287 1.00 0.06 C ATOM 924 C ALA A 59 -1.503 -10.306 1.250 1.00 0.08 C ATOM 925 O ALA A 59 -1.364 -9.082 1.290 1.00 0.11 O ATOM 926 CB ALA A 59 0.322 -11.974 1.649 1.00 0.06 C ATOM 0 H ALA A 59 -1.579 -13.087 2.740 1.00 0.05 H new ATOM 0 HA ALA A 59 -0.412 -10.538 3.058 1.00 0.06 H new ATOM 0 HB1 ALA A 59 1.015 -11.282 1.171 1.00 0.06 H new ATOM 0 HB2 ALA A 59 0.848 -12.542 2.416 1.00 0.06 H new ATOM 0 HB3 ALA A 59 -0.080 -12.659 0.902 1.00 0.06 H new ATOM 932 N VAL A 60 -2.257 -10.914 0.333 1.00 0.05 N ATOM 933 CA VAL A 60 -2.945 -10.142 -0.711 1.00 0.07 C ATOM 934 C VAL A 60 -3.978 -9.192 -0.106 1.00 0.07 C ATOM 935 O VAL A 60 -4.172 -8.074 -0.593 1.00 0.08 O ATOM 936 CB VAL A 60 -3.648 -11.025 -1.784 1.00 0.07 C ATOM 937 CG1 VAL A 60 -2.661 -11.918 -2.516 1.00 0.07 C ATOM 938 CG2 VAL A 60 -4.780 -11.852 -1.190 1.00 0.08 C ATOM 0 H VAL A 60 -2.408 -11.922 0.288 1.00 0.05 H new ATOM 0 HA VAL A 60 -2.157 -9.579 -1.210 1.00 0.07 H new ATOM 0 HB VAL A 60 -4.083 -10.339 -2.511 1.00 0.07 H new ATOM 0 HG11 VAL A 60 -3.192 -12.517 -3.256 1.00 0.07 H new ATOM 0 HG12 VAL A 60 -1.915 -11.301 -3.017 1.00 0.07 H new ATOM 0 HG13 VAL A 60 -2.167 -12.577 -1.802 1.00 0.07 H new ATOM 0 HG21 VAL A 60 -5.242 -12.452 -1.974 1.00 0.08 H new ATOM 0 HG22 VAL A 60 -4.383 -12.509 -0.416 1.00 0.08 H new ATOM 0 HG23 VAL A 60 -5.526 -11.188 -0.755 1.00 0.08 H new ATOM 948 N LEU A 61 -4.615 -9.625 0.974 1.00 0.07 N ATOM 949 CA LEU A 61 -5.635 -8.820 1.622 1.00 0.08 C ATOM 950 C LEU A 61 -5.007 -7.682 2.424 1.00 0.08 C ATOM 951 O LEU A 61 -5.648 -6.662 2.674 1.00 0.08 O ATOM 952 CB LEU A 61 -6.514 -9.702 2.511 1.00 0.10 C ATOM 953 CG LEU A 61 -7.903 -9.144 2.850 1.00 0.10 C ATOM 954 CD1 LEU A 61 -8.640 -8.696 1.597 1.00 0.11 C ATOM 955 CD2 LEU A 61 -8.729 -10.189 3.586 1.00 0.07 C ATOM 0 H LEU A 61 -4.442 -10.527 1.417 1.00 0.07 H new ATOM 0 HA LEU A 61 -6.263 -8.370 0.853 1.00 0.08 H new ATOM 0 HB2 LEU A 61 -6.642 -10.666 2.019 1.00 0.10 H new ATOM 0 HB3 LEU A 61 -5.982 -9.888 3.444 1.00 0.10 H new ATOM 0 HG LEU A 61 -7.763 -8.276 3.494 1.00 0.10 H new ATOM 0 HD11 LEU A 61 -9.620 -8.306 1.871 1.00 0.11 H new ATOM 0 HD12 LEU A 61 -8.066 -7.916 1.097 1.00 0.11 H new ATOM 0 HD13 LEU A 61 -8.763 -9.545 0.924 1.00 0.11 H new ATOM 0 HD21 LEU A 61 -9.711 -9.778 3.819 1.00 0.07 H new ATOM 0 HD22 LEU A 61 -8.845 -11.071 2.956 1.00 0.07 H new ATOM 0 HD23 LEU A 61 -8.223 -10.468 4.511 1.00 0.07 H new ATOM 967 N THR A 62 -3.756 -7.858 2.826 1.00 0.10 N ATOM 968 CA THR A 62 -3.051 -6.826 3.572 1.00 0.11 C ATOM 969 C THR A 62 -2.567 -5.728 2.619 1.00 0.10 C ATOM 970 O THR A 62 -2.570 -4.542 2.958 1.00 0.13 O ATOM 971 CB THR A 62 -1.861 -7.419 4.368 1.00 0.13 C ATOM 972 OG1 THR A 62 -2.354 -8.310 5.377 1.00 0.12 O ATOM 973 CG2 THR A 62 -1.024 -6.329 5.017 1.00 0.15 C ATOM 0 H THR A 62 -3.211 -8.702 2.649 1.00 0.10 H new ATOM 0 HA THR A 62 -3.745 -6.391 4.291 1.00 0.11 H new ATOM 0 HB THR A 62 -1.225 -7.961 3.668 1.00 0.13 H new ATOM 0 HG1 THR A 62 -2.851 -9.041 4.954 1.00 0.12 H new ATOM 0 HG21 THR A 62 -0.199 -6.782 5.566 1.00 0.15 H new ATOM 0 HG22 THR A 62 -0.627 -5.668 4.247 1.00 0.15 H new ATOM 0 HG23 THR A 62 -1.645 -5.754 5.704 1.00 0.15 H new ATOM 981 N ALA A 63 -2.193 -6.133 1.407 1.00 0.08 N ATOM 982 CA ALA A 63 -1.712 -5.200 0.390 1.00 0.08 C ATOM 983 C ALA A 63 -2.803 -4.222 -0.034 1.00 0.07 C ATOM 984 O ALA A 63 -2.584 -3.011 -0.074 1.00 0.08 O ATOM 985 CB ALA A 63 -1.197 -5.969 -0.818 1.00 0.08 C ATOM 0 H ALA A 63 -2.214 -7.107 1.104 1.00 0.08 H new ATOM 0 HA ALA A 63 -0.897 -4.620 0.824 1.00 0.08 H new ATOM 0 HB1 ALA A 63 -0.840 -5.267 -1.571 1.00 0.08 H new ATOM 0 HB2 ALA A 63 -0.378 -6.620 -0.513 1.00 0.08 H new ATOM 0 HB3 ALA A 63 -2.003 -6.572 -1.236 1.00 0.08 H new ATOM 991 N VAL A 64 -3.984 -4.752 -0.334 1.00 0.07 N ATOM 992 CA VAL A 64 -5.101 -3.919 -0.765 1.00 0.08 C ATOM 993 C VAL A 64 -5.533 -2.948 0.338 1.00 0.09 C ATOM 994 O VAL A 64 -5.970 -1.833 0.047 1.00 0.12 O ATOM 995 CB VAL A 64 -6.299 -4.777 -1.238 1.00 0.08 C ATOM 996 CG1 VAL A 64 -6.919 -5.537 -0.082 1.00 0.05 C ATOM 997 CG2 VAL A 64 -7.342 -3.918 -1.940 1.00 0.12 C ATOM 0 H VAL A 64 -4.192 -5.749 -0.287 1.00 0.07 H new ATOM 0 HA VAL A 64 -4.754 -3.331 -1.614 1.00 0.08 H new ATOM 0 HB VAL A 64 -5.921 -5.506 -1.955 1.00 0.08 H new ATOM 0 HG11 VAL A 64 -7.758 -6.131 -0.445 1.00 0.05 H new ATOM 0 HG12 VAL A 64 -6.173 -6.196 0.362 1.00 0.05 H new ATOM 0 HG13 VAL A 64 -7.272 -4.831 0.670 1.00 0.05 H new ATOM 0 HG21 VAL A 64 -8.173 -4.545 -2.262 1.00 0.12 H new ATOM 0 HG22 VAL A 64 -7.708 -3.156 -1.252 1.00 0.12 H new ATOM 0 HG23 VAL A 64 -6.892 -3.437 -2.809 1.00 0.12 H new ATOM 1007 N GLN A 65 -5.386 -3.355 1.601 1.00 0.08 N ATOM 1008 CA GLN A 65 -5.747 -2.494 2.726 1.00 0.09 C ATOM 1009 C GLN A 65 -4.884 -1.241 2.703 1.00 0.07 C ATOM 1010 O GLN A 65 -5.390 -0.116 2.732 1.00 0.12 O ATOM 1011 CB GLN A 65 -5.554 -3.229 4.053 1.00 0.10 C ATOM 1012 CG GLN A 65 -6.770 -4.029 4.497 1.00 0.10 C ATOM 1013 CD GLN A 65 -6.466 -4.910 5.691 1.00 0.24 C ATOM 1014 OE1 GLN A 65 -6.607 -4.496 6.839 1.00 0.81 O ATOM 1015 NE2 GLN A 65 -6.034 -6.128 5.423 1.00 0.31 N ATOM 0 H GLN A 65 -5.022 -4.270 1.868 1.00 0.08 H new ATOM 0 HA GLN A 65 -6.798 -2.219 2.633 1.00 0.09 H new ATOM 0 HB2 GLN A 65 -4.701 -3.902 3.964 1.00 0.10 H new ATOM 0 HB3 GLN A 65 -5.307 -2.502 4.827 1.00 0.10 H new ATOM 0 HG2 GLN A 65 -7.581 -3.346 4.748 1.00 0.10 H new ATOM 0 HG3 GLN A 65 -7.119 -4.647 3.670 1.00 0.10 H new ATOM 0 HE21 GLN A 65 -5.931 -6.431 4.455 1.00 0.31 H new ATOM 0 HE22 GLN A 65 -5.803 -6.766 6.184 1.00 0.31 H new ATOM 1024 N ILE A 66 -3.576 -1.462 2.641 1.00 0.02 N ATOM 1025 CA ILE A 66 -2.600 -0.381 2.586 1.00 0.03 C ATOM 1026 C ILE A 66 -2.876 0.536 1.393 1.00 0.05 C ATOM 1027 O ILE A 66 -2.879 1.761 1.521 1.00 0.18 O ATOM 1028 CB ILE A 66 -1.166 -0.958 2.482 1.00 0.10 C ATOM 1029 CG1 ILE A 66 -0.800 -1.696 3.773 1.00 0.74 C ATOM 1030 CG2 ILE A 66 -0.151 0.139 2.183 1.00 0.71 C ATOM 1031 CD1 ILE A 66 0.318 -2.705 3.607 1.00 1.29 C ATOM 0 H ILE A 66 -3.163 -2.395 2.627 1.00 0.02 H new ATOM 0 HA ILE A 66 -2.686 0.202 3.503 1.00 0.03 H new ATOM 0 HB ILE A 66 -1.142 -1.666 1.654 1.00 0.10 H new ATOM 0 HG12 ILE A 66 -0.508 -0.965 4.527 1.00 0.74 H new ATOM 0 HG13 ILE A 66 -1.685 -2.208 4.151 1.00 0.74 H new ATOM 0 HG21 ILE A 66 0.846 -0.296 2.116 1.00 0.71 H new ATOM 0 HG22 ILE A 66 -0.402 0.619 1.237 1.00 0.71 H new ATOM 0 HG23 ILE A 66 -0.170 0.880 2.982 1.00 0.71 H new ATOM 0 HD11 ILE A 66 0.519 -3.186 4.564 1.00 1.29 H new ATOM 0 HD12 ILE A 66 0.022 -3.459 2.877 1.00 1.29 H new ATOM 0 HD13 ILE A 66 1.218 -2.197 3.260 1.00 1.29 H new ATOM 1043 N ALA A 67 -3.132 -0.073 0.239 1.00 0.07 N ATOM 1044 CA ALA A 67 -3.408 0.673 -0.985 1.00 0.05 C ATOM 1045 C ALA A 67 -4.641 1.564 -0.839 1.00 0.04 C ATOM 1046 O ALA A 67 -4.613 2.734 -1.213 1.00 0.03 O ATOM 1047 CB ALA A 67 -3.586 -0.285 -2.153 1.00 0.06 C ATOM 0 H ALA A 67 -3.154 -1.086 0.126 1.00 0.07 H new ATOM 0 HA ALA A 67 -2.554 1.322 -1.178 1.00 0.05 H new ATOM 0 HB1 ALA A 67 -3.791 0.282 -3.061 1.00 0.06 H new ATOM 0 HB2 ALA A 67 -2.675 -0.868 -2.288 1.00 0.06 H new ATOM 0 HB3 ALA A 67 -4.420 -0.957 -1.949 1.00 0.06 H new ATOM 1053 N SER A 68 -5.710 1.012 -0.274 1.00 0.05 N ATOM 1054 CA SER A 68 -6.955 1.756 -0.086 1.00 0.07 C ATOM 1055 C SER A 68 -6.739 2.999 0.781 1.00 0.08 C ATOM 1056 O SER A 68 -7.179 4.098 0.439 1.00 0.12 O ATOM 1057 CB SER A 68 -8.020 0.866 0.565 1.00 0.07 C ATOM 1058 OG SER A 68 -8.174 -0.362 -0.130 1.00 0.04 O ATOM 0 H SER A 68 -5.741 0.050 0.063 1.00 0.05 H new ATOM 0 HA SER A 68 -7.295 2.073 -1.072 1.00 0.07 H new ATOM 0 HB2 SER A 68 -7.744 0.666 1.600 1.00 0.07 H new ATOM 0 HB3 SER A 68 -8.973 1.395 0.586 1.00 0.07 H new ATOM 0 HG SER A 68 -7.513 -1.008 0.196 1.00 0.04 H new ATOM 1064 N GLU A 69 -6.029 2.815 1.886 1.00 0.08 N ATOM 1065 CA GLU A 69 -5.772 3.896 2.832 1.00 0.14 C ATOM 1066 C GLU A 69 -4.918 5.021 2.248 1.00 0.10 C ATOM 1067 O GLU A 69 -5.086 6.182 2.624 1.00 0.10 O ATOM 1068 CB GLU A 69 -5.101 3.343 4.086 1.00 0.19 C ATOM 1069 CG GLU A 69 -6.078 2.694 5.049 1.00 0.29 C ATOM 1070 CD GLU A 69 -7.131 3.668 5.533 1.00 0.63 C ATOM 1071 OE1 GLU A 69 -6.761 4.773 5.978 1.00 0.82 O ATOM 1072 OE2 GLU A 69 -8.335 3.341 5.469 1.00 0.79 O1- ATOM 0 H GLU A 69 -5.617 1.920 2.152 1.00 0.08 H new ATOM 0 HA GLU A 69 -6.742 4.329 3.078 1.00 0.14 H new ATOM 0 HB2 GLU A 69 -4.348 2.611 3.795 1.00 0.19 H new ATOM 0 HB3 GLU A 69 -4.579 4.152 4.598 1.00 0.19 H new ATOM 0 HG2 GLU A 69 -6.563 1.850 4.559 1.00 0.29 H new ATOM 0 HG3 GLU A 69 -5.533 2.295 5.904 1.00 0.29 H new ATOM 1079 N TYR A 70 -4.018 4.696 1.331 1.00 0.07 N ATOM 1080 CA TYR A 70 -3.136 5.709 0.756 1.00 0.04 C ATOM 1081 C TYR A 70 -3.650 6.268 -0.571 1.00 0.03 C ATOM 1082 O TYR A 70 -3.313 7.396 -0.939 1.00 0.04 O ATOM 1083 CB TYR A 70 -1.727 5.146 0.584 1.00 0.05 C ATOM 1084 CG TYR A 70 -0.967 5.050 1.888 1.00 0.18 C ATOM 1085 CD1 TYR A 70 -0.726 6.183 2.660 1.00 0.36 C ATOM 1086 CD2 TYR A 70 -0.506 3.829 2.357 1.00 0.37 C ATOM 1087 CE1 TYR A 70 -0.048 6.096 3.859 1.00 0.47 C ATOM 1088 CE2 TYR A 70 0.174 3.734 3.555 1.00 0.46 C ATOM 1089 CZ TYR A 70 0.398 4.870 4.303 1.00 0.44 C ATOM 1090 OH TYR A 70 1.065 4.780 5.502 1.00 0.58 O ATOM 0 H TYR A 70 -3.878 3.752 0.971 1.00 0.07 H new ATOM 0 HA TYR A 70 -3.115 6.542 1.458 1.00 0.04 H new ATOM 0 HB2 TYR A 70 -1.790 4.156 0.132 1.00 0.05 H new ATOM 0 HB3 TYR A 70 -1.171 5.778 -0.109 1.00 0.05 H new ATOM 0 HD1 TYR A 70 -1.075 7.145 2.315 1.00 0.36 H new ATOM 0 HD2 TYR A 70 -0.682 2.937 1.775 1.00 0.37 H new ATOM 0 HE1 TYR A 70 0.132 6.984 4.446 1.00 0.47 H new ATOM 0 HE2 TYR A 70 0.528 2.775 3.904 1.00 0.46 H new ATOM 0 HH TYR A 70 0.911 3.896 5.897 1.00 0.58 H new ATOM 1100 N LEU A 71 -4.453 5.497 -1.291 1.00 0.07 N ATOM 1101 CA LEU A 71 -4.987 5.963 -2.568 1.00 0.11 C ATOM 1102 C LEU A 71 -5.893 7.172 -2.364 1.00 0.12 C ATOM 1103 O LEU A 71 -5.951 8.066 -3.210 1.00 0.16 O ATOM 1104 CB LEU A 71 -5.745 4.851 -3.307 1.00 0.13 C ATOM 1105 CG LEU A 71 -4.957 4.167 -4.444 1.00 0.14 C ATOM 1106 CD1 LEU A 71 -5.600 2.845 -4.852 1.00 0.12 C ATOM 1107 CD2 LEU A 71 -4.844 5.084 -5.658 1.00 0.23 C ATOM 0 H LEU A 71 -4.747 4.559 -1.020 1.00 0.07 H new ATOM 0 HA LEU A 71 -4.139 6.257 -3.187 1.00 0.11 H new ATOM 0 HB2 LEU A 71 -6.042 4.092 -2.583 1.00 0.13 H new ATOM 0 HB3 LEU A 71 -6.661 5.271 -3.722 1.00 0.13 H new ATOM 0 HG LEU A 71 -3.957 3.960 -4.063 1.00 0.14 H new ATOM 0 HD11 LEU A 71 -5.019 2.390 -5.655 1.00 0.12 H new ATOM 0 HD12 LEU A 71 -5.623 2.172 -3.995 1.00 0.12 H new ATOM 0 HD13 LEU A 71 -6.617 3.027 -5.198 1.00 0.12 H new ATOM 0 HD21 LEU A 71 -4.284 4.578 -6.445 1.00 0.23 H new ATOM 0 HD22 LEU A 71 -5.841 5.330 -6.023 1.00 0.23 H new ATOM 0 HD23 LEU A 71 -4.325 6.000 -5.375 1.00 0.23 H new ATOM 1119 N LYS A 72 -6.587 7.206 -1.234 1.00 0.13 N ATOM 1120 CA LYS A 72 -7.475 8.320 -0.920 1.00 0.16 C ATOM 1121 C LYS A 72 -6.669 9.551 -0.500 1.00 0.16 C ATOM 1122 O LYS A 72 -7.168 10.672 -0.532 1.00 0.30 O ATOM 1123 CB LYS A 72 -8.455 7.937 0.193 1.00 0.18 C ATOM 1124 CG LYS A 72 -7.783 7.465 1.478 1.00 0.18 C ATOM 1125 CD LYS A 72 -8.677 7.663 2.693 1.00 0.22 C ATOM 1126 CE LYS A 72 -8.363 6.664 3.798 1.00 0.25 C ATOM 1127 NZ LYS A 72 -7.069 6.950 4.474 1.00 0.24 N1+ ATOM 0 H LYS A 72 -6.553 6.478 -0.521 1.00 0.13 H new ATOM 0 HA LYS A 72 -8.042 8.559 -1.819 1.00 0.16 H new ATOM 0 HB2 LYS A 72 -9.085 8.797 0.420 1.00 0.18 H new ATOM 0 HB3 LYS A 72 -9.112 7.148 -0.172 1.00 0.18 H new ATOM 0 HG2 LYS A 72 -7.524 6.410 1.386 1.00 0.18 H new ATOM 0 HG3 LYS A 72 -6.850 8.010 1.621 1.00 0.18 H new ATOM 0 HD2 LYS A 72 -8.552 8.677 3.074 1.00 0.22 H new ATOM 0 HD3 LYS A 72 -9.721 7.560 2.396 1.00 0.22 H new ATOM 0 HE2 LYS A 72 -9.165 6.679 4.535 1.00 0.25 H new ATOM 0 HE3 LYS A 72 -8.335 5.659 3.377 1.00 0.25 H new ATOM 0 HZ1 LYS A 72 -6.957 6.317 5.292 1.00 0.24 H new ATOM 0 HZ2 LYS A 72 -6.287 6.794 3.807 1.00 0.24 H new ATOM 0 HZ3 LYS A 72 -7.057 7.939 4.797 1.00 0.24 H new ATOM 1141 N LEU A 73 -5.417 9.334 -0.117 1.00 0.03 N ATOM 1142 CA LEU A 73 -4.552 10.421 0.321 1.00 0.05 C ATOM 1143 C LEU A 73 -3.994 11.173 -0.885 1.00 0.05 C ATOM 1144 O LEU A 73 -3.955 12.404 -0.901 1.00 0.10 O ATOM 1145 CB LEU A 73 -3.414 9.857 1.189 1.00 0.14 C ATOM 1146 CG LEU A 73 -2.509 10.868 1.923 1.00 0.17 C ATOM 1147 CD1 LEU A 73 -1.424 11.411 0.999 1.00 0.18 C ATOM 1148 CD2 LEU A 73 -3.319 12.013 2.517 1.00 0.24 C ATOM 0 H LEU A 73 -4.978 8.414 -0.101 1.00 0.03 H new ATOM 0 HA LEU A 73 -5.132 11.125 0.918 1.00 0.05 H new ATOM 0 HB2 LEU A 73 -3.856 9.197 1.936 1.00 0.14 H new ATOM 0 HB3 LEU A 73 -2.781 9.239 0.553 1.00 0.14 H new ATOM 0 HG LEU A 73 -2.027 10.333 2.741 1.00 0.17 H new ATOM 0 HD11 LEU A 73 -0.803 12.121 1.545 1.00 0.18 H new ATOM 0 HD12 LEU A 73 -0.806 10.588 0.641 1.00 0.18 H new ATOM 0 HD13 LEU A 73 -1.887 11.913 0.150 1.00 0.18 H new ATOM 0 HD21 LEU A 73 -2.650 12.706 3.027 1.00 0.24 H new ATOM 0 HD22 LEU A 73 -3.846 12.537 1.720 1.00 0.24 H new ATOM 0 HD23 LEU A 73 -4.042 11.616 3.230 1.00 0.24 H new ATOM 1160 N LYS A 74 -3.578 10.432 -1.900 1.00 0.10 N ATOM 1161 CA LYS A 74 -3.016 11.048 -3.093 1.00 0.18 C ATOM 1162 C LYS A 74 -4.091 11.793 -3.885 1.00 0.21 C ATOM 1163 O LYS A 74 -3.806 12.801 -4.535 1.00 0.29 O ATOM 1164 CB LYS A 74 -2.307 10.001 -3.973 1.00 0.23 C ATOM 1165 CG LYS A 74 -3.234 9.167 -4.853 1.00 0.11 C ATOM 1166 CD LYS A 74 -3.317 9.717 -6.273 1.00 0.18 C ATOM 1167 CE LYS A 74 -2.096 9.342 -7.102 1.00 0.26 C ATOM 1168 NZ LYS A 74 -1.959 10.201 -8.308 1.00 0.15 N1+ ATOM 0 H LYS A 74 -3.618 9.413 -1.923 1.00 0.10 H new ATOM 0 HA LYS A 74 -2.271 11.777 -2.774 1.00 0.18 H new ATOM 0 HB2 LYS A 74 -1.587 10.512 -4.612 1.00 0.23 H new ATOM 0 HB3 LYS A 74 -1.741 9.329 -3.328 1.00 0.23 H new ATOM 0 HG2 LYS A 74 -2.877 8.137 -4.883 1.00 0.11 H new ATOM 0 HG3 LYS A 74 -4.231 9.146 -4.413 1.00 0.11 H new ATOM 0 HD2 LYS A 74 -4.216 9.335 -6.758 1.00 0.18 H new ATOM 0 HD3 LYS A 74 -3.411 10.802 -6.237 1.00 0.18 H new ATOM 0 HE2 LYS A 74 -1.199 9.432 -6.489 1.00 0.26 H new ATOM 0 HE3 LYS A 74 -2.171 8.298 -7.407 1.00 0.26 H new ATOM 0 HZ1 LYS A 74 -0.951 10.352 -8.514 1.00 0.15 H new ATOM 0 HZ2 LYS A 74 -2.413 9.735 -9.120 1.00 0.15 H new ATOM 0 HZ3 LYS A 74 -2.418 11.118 -8.135 1.00 0.15 H new ATOM 1182 N GLU A 75 -5.334 11.317 -3.808 1.00 0.18 N ATOM 1183 CA GLU A 75 -6.423 11.948 -4.541 1.00 0.27 C ATOM 1184 C GLU A 75 -6.804 13.290 -3.914 1.00 0.23 C ATOM 1185 O GLU A 75 -7.128 14.239 -4.628 1.00 0.32 O ATOM 1186 CB GLU A 75 -7.641 11.013 -4.646 1.00 0.36 C ATOM 1187 CG GLU A 75 -8.538 10.991 -3.422 1.00 0.51 C ATOM 1188 CD GLU A 75 -9.775 10.147 -3.636 1.00 0.97 C ATOM 1189 OE1 GLU A 75 -10.507 10.400 -4.617 1.00 1.57 O1- ATOM 1190 OE2 GLU A 75 -10.022 9.215 -2.842 1.00 1.47 O ATOM 0 H GLU A 75 -5.606 10.507 -3.252 1.00 0.18 H new ATOM 0 HA GLU A 75 -6.072 12.144 -5.554 1.00 0.27 H new ATOM 0 HB2 GLU A 75 -8.236 11.311 -5.509 1.00 0.36 H new ATOM 0 HB3 GLU A 75 -7.287 10.000 -4.837 1.00 0.36 H new ATOM 0 HG2 GLU A 75 -7.979 10.604 -2.570 1.00 0.51 H new ATOM 0 HG3 GLU A 75 -8.834 12.010 -3.172 1.00 0.51 H new ATOM 1197 N GLU A 76 -6.745 13.385 -2.584 1.00 0.13 N ATOM 1198 CA GLU A 76 -7.078 14.638 -1.915 1.00 0.10 C ATOM 1199 C GLU A 76 -5.936 15.633 -2.091 1.00 0.05 C ATOM 1200 O GLU A 76 -6.151 16.845 -2.112 1.00 0.03 O ATOM 1201 CB GLU A 76 -7.393 14.421 -0.424 1.00 0.10 C ATOM 1202 CG GLU A 76 -6.182 14.111 0.436 1.00 0.19 C ATOM 1203 CD GLU A 76 -6.448 14.321 1.916 1.00 0.51 C ATOM 1204 OE1 GLU A 76 -7.509 13.880 2.408 1.00 0.59 O1- ATOM 1205 OE2 GLU A 76 -5.605 14.944 2.595 1.00 1.56 O ATOM 0 H GLU A 76 -6.475 12.624 -1.961 1.00 0.13 H new ATOM 0 HA GLU A 76 -7.979 15.043 -2.375 1.00 0.10 H new ATOM 0 HB2 GLU A 76 -7.880 15.315 -0.035 1.00 0.10 H new ATOM 0 HB3 GLU A 76 -8.107 13.603 -0.332 1.00 0.10 H new ATOM 0 HG2 GLU A 76 -5.877 13.078 0.268 1.00 0.19 H new ATOM 0 HG3 GLU A 76 -5.350 14.743 0.127 1.00 0.19 H new ATOM 1212 N TYR A 77 -4.726 15.104 -2.246 1.00 0.06 N ATOM 1213 CA TYR A 77 -3.545 15.929 -2.440 1.00 0.05 C ATOM 1214 C TYR A 77 -3.685 16.745 -3.718 1.00 0.07 C ATOM 1215 O TYR A 77 -3.555 17.968 -3.705 1.00 0.11 O ATOM 1216 CB TYR A 77 -2.296 15.042 -2.497 1.00 0.09 C ATOM 1217 CG TYR A 77 -1.002 15.781 -2.798 1.00 0.12 C ATOM 1218 CD1 TYR A 77 -0.737 17.033 -2.251 1.00 0.12 C ATOM 1219 CD2 TYR A 77 -0.040 15.214 -3.624 1.00 0.14 C ATOM 1220 CE1 TYR A 77 0.442 17.698 -2.524 1.00 0.16 C ATOM 1221 CE2 TYR A 77 1.145 15.875 -3.900 1.00 0.17 C ATOM 1222 CZ TYR A 77 1.379 17.114 -3.346 1.00 0.18 C ATOM 1223 OH TYR A 77 2.556 17.774 -3.616 1.00 0.21 O ATOM 0 H TYR A 77 -4.540 14.101 -2.240 1.00 0.06 H new ATOM 0 HA TYR A 77 -3.444 16.618 -1.601 1.00 0.05 H new ATOM 0 HB2 TYR A 77 -2.190 14.527 -1.542 1.00 0.09 H new ATOM 0 HB3 TYR A 77 -2.446 14.276 -3.258 1.00 0.09 H new ATOM 0 HD1 TYR A 77 -1.467 17.493 -1.601 1.00 0.12 H new ATOM 0 HD2 TYR A 77 -0.219 14.241 -4.058 1.00 0.14 H new ATOM 0 HE1 TYR A 77 0.628 18.671 -2.095 1.00 0.16 H new ATOM 0 HE2 TYR A 77 1.882 15.421 -4.546 1.00 0.17 H new ATOM 0 HH TYR A 77 3.109 17.226 -4.211 1.00 0.21 H new ATOM 1233 N GLN A 78 -3.980 16.068 -4.816 1.00 0.10 N ATOM 1234 CA GLN A 78 -4.149 16.737 -6.097 1.00 0.13 C ATOM 1235 C GLN A 78 -5.407 17.601 -6.089 1.00 0.06 C ATOM 1236 O GLN A 78 -5.432 18.682 -6.674 1.00 0.08 O ATOM 1237 CB GLN A 78 -4.217 15.705 -7.226 1.00 0.19 C ATOM 1238 CG GLN A 78 -2.910 14.957 -7.433 1.00 0.23 C ATOM 1239 CD GLN A 78 -3.055 13.754 -8.346 1.00 0.31 C ATOM 1240 OE1 GLN A 78 -3.319 12.641 -7.892 1.00 0.51 O ATOM 1241 NE2 GLN A 78 -2.882 13.971 -9.641 1.00 0.26 N ATOM 0 H GLN A 78 -4.107 15.056 -4.847 1.00 0.10 H new ATOM 0 HA GLN A 78 -3.289 17.385 -6.266 1.00 0.13 H new ATOM 0 HB2 GLN A 78 -5.008 14.988 -7.007 1.00 0.19 H new ATOM 0 HB3 GLN A 78 -4.491 16.208 -8.153 1.00 0.19 H new ATOM 0 HG2 GLN A 78 -2.170 15.638 -7.853 1.00 0.23 H new ATOM 0 HG3 GLN A 78 -2.528 14.629 -6.466 1.00 0.23 H new ATOM 0 HE21 GLN A 78 -2.664 14.909 -9.976 1.00 0.26 H new ATOM 0 HE22 GLN A 78 -2.967 13.200 -10.303 1.00 0.26 H new ATOM 1250 N ARG A 79 -6.429 17.128 -5.387 1.00 0.04 N ATOM 1251 CA ARG A 79 -7.708 17.828 -5.294 1.00 0.11 C ATOM 1252 C ARG A 79 -7.573 19.205 -4.631 1.00 0.17 C ATOM 1253 O ARG A 79 -8.080 20.202 -5.149 1.00 0.29 O ATOM 1254 CB ARG A 79 -8.702 16.968 -4.505 1.00 0.18 C ATOM 1255 CG ARG A 79 -10.109 17.536 -4.453 1.00 0.46 C ATOM 1256 CD ARG A 79 -11.041 16.638 -3.649 1.00 0.78 C ATOM 1257 NE ARG A 79 -12.398 17.180 -3.578 1.00 1.20 N ATOM 1258 CZ ARG A 79 -13.349 16.701 -2.779 1.00 0.98 C ATOM 1259 NH1 ARG A 79 -13.094 15.681 -1.968 1.00 0.63 N1+ ATOM 1260 NH2 ARG A 79 -14.550 17.258 -2.774 1.00 1.78 N ATOM 0 H ARG A 79 -6.397 16.251 -4.867 1.00 0.04 H new ATOM 0 HA ARG A 79 -8.070 17.992 -6.309 1.00 0.11 H new ATOM 0 HB2 ARG A 79 -8.739 15.974 -4.951 1.00 0.18 H new ATOM 0 HB3 ARG A 79 -8.333 16.847 -3.487 1.00 0.18 H new ATOM 0 HG2 ARG A 79 -10.085 18.530 -4.007 1.00 0.46 H new ATOM 0 HG3 ARG A 79 -10.495 17.650 -5.466 1.00 0.46 H new ATOM 0 HD2 ARG A 79 -11.070 15.647 -4.102 1.00 0.78 H new ATOM 0 HD3 ARG A 79 -10.646 16.516 -2.640 1.00 0.78 H new ATOM 0 HE ARG A 79 -12.629 17.973 -4.177 1.00 1.20 H new ATOM 0 HH11 ARG A 79 -12.165 15.260 -1.955 1.00 0.63 H new ATOM 0 HH12 ARG A 79 -13.827 15.319 -1.358 1.00 0.63 H new ATOM 0 HH21 ARG A 79 -14.746 18.053 -3.382 1.00 1.78 H new ATOM 0 HH22 ARG A 79 -15.279 16.892 -2.162 1.00 1.78 H new ATOM 1274 N LEU A 80 -6.896 19.266 -3.490 1.00 0.11 N ATOM 1275 CA LEU A 80 -6.742 20.532 -2.778 1.00 0.17 C ATOM 1276 C LEU A 80 -5.677 21.414 -3.430 1.00 0.18 C ATOM 1277 O LEU A 80 -5.719 22.640 -3.309 1.00 0.22 O ATOM 1278 CB LEU A 80 -6.415 20.288 -1.294 1.00 0.19 C ATOM 1279 CG LEU A 80 -4.969 20.589 -0.865 1.00 0.22 C ATOM 1280 CD1 LEU A 80 -4.929 21.145 0.551 1.00 0.25 C ATOM 1281 CD2 LEU A 80 -4.101 19.343 -0.959 1.00 0.23 C ATOM 0 H LEU A 80 -6.450 18.466 -3.042 1.00 0.11 H new ATOM 0 HA LEU A 80 -7.692 21.062 -2.837 1.00 0.17 H new ATOM 0 HB2 LEU A 80 -7.087 20.897 -0.689 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -6.633 19.246 -1.061 1.00 0.19 H new ATOM 0 HG LEU A 80 -4.572 21.340 -1.547 1.00 0.22 H new ATOM 0 HD11 LEU A 80 -3.896 21.350 0.832 1.00 0.25 H new ATOM 0 HD12 LEU A 80 -5.507 22.068 0.596 1.00 0.25 H new ATOM 0 HD13 LEU A 80 -5.355 20.416 1.240 1.00 0.25 H new ATOM 0 HD21 LEU A 80 -3.084 19.584 -0.650 1.00 0.23 H new ATOM 0 HD22 LEU A 80 -4.504 18.568 -0.307 1.00 0.23 H new ATOM 0 HD23 LEU A 80 -4.092 18.983 -1.988 1.00 0.23 H new ATOM 1293 N ARG A 81 -4.738 20.792 -4.131 1.00 0.17 N ATOM 1294 CA ARG A 81 -3.663 21.526 -4.790 1.00 0.21 C ATOM 1295 C ARG A 81 -4.152 22.226 -6.051 1.00 0.22 C ATOM 1296 O ARG A 81 -3.832 23.392 -6.280 1.00 0.31 O ATOM 1297 CB ARG A 81 -2.505 20.589 -5.129 1.00 0.21 C ATOM 1298 CG ARG A 81 -1.548 20.368 -3.965 1.00 0.25 C ATOM 1299 CD ARG A 81 -0.368 21.331 -4.005 1.00 0.43 C ATOM 1300 NE ARG A 81 -0.725 22.667 -3.519 1.00 0.50 N ATOM 1301 CZ ARG A 81 -0.580 23.792 -4.221 1.00 0.50 C ATOM 1302 NH1 ARG A 81 -0.136 23.756 -5.473 1.00 0.71 N1+ ATOM 1303 NH2 ARG A 81 -0.887 24.957 -3.665 1.00 0.54 N ATOM 0 H ARG A 81 -4.698 19.781 -4.259 1.00 0.17 H new ATOM 0 HA ARG A 81 -3.314 22.289 -4.095 1.00 0.21 H new ATOM 0 HB2 ARG A 81 -2.907 19.627 -5.448 1.00 0.21 H new ATOM 0 HB3 ARG A 81 -1.951 20.999 -5.973 1.00 0.21 H new ATOM 0 HG2 ARG A 81 -2.086 20.492 -3.025 1.00 0.25 H new ATOM 0 HG3 ARG A 81 -1.180 19.342 -3.988 1.00 0.25 H new ATOM 0 HD2 ARG A 81 0.445 20.931 -3.399 1.00 0.43 H new ATOM 0 HD3 ARG A 81 0.003 21.406 -5.027 1.00 0.43 H new ATOM 0 HE ARG A 81 -1.111 22.742 -2.578 1.00 0.50 H new ATOM 0 HH11 ARG A 81 0.097 22.862 -5.906 1.00 0.71 H new ATOM 0 HH12 ARG A 81 -0.029 24.622 -6.001 1.00 0.71 H new ATOM 0 HH21 ARG A 81 -1.232 24.989 -2.706 1.00 0.54 H new ATOM 0 HH22 ARG A 81 -0.778 25.820 -4.197 1.00 0.54 H new ATOM 1551 N THR B 10 -17.929 1.193 5.754 1.00 0.33 N ATOM 1552 CA THR B 10 -18.527 -0.097 5.440 1.00 0.31 C ATOM 1553 C THR B 10 -17.523 -1.014 4.736 1.00 0.23 C ATOM 1554 O THR B 10 -16.442 -0.580 4.325 1.00 0.23 O ATOM 1555 CB THR B 10 -19.787 0.083 4.555 1.00 0.36 C ATOM 1556 OG1 THR B 10 -20.525 -1.146 4.464 1.00 0.42 O ATOM 1557 CG2 THR B 10 -19.414 0.555 3.155 1.00 0.28 C ATOM 0 HA THR B 10 -18.820 -0.563 6.381 1.00 0.31 H new ATOM 0 HB THR B 10 -20.411 0.842 5.027 1.00 0.36 H new ATOM 0 HG1 THR B 10 -21.317 -1.011 3.903 1.00 0.42 H new ATOM 0 HG21 THR B 10 -20.318 0.672 2.558 1.00 0.28 H new ATOM 0 HG22 THR B 10 -18.895 1.511 3.220 1.00 0.28 H new ATOM 0 HG23 THR B 10 -18.761 -0.181 2.685 1.00 0.28 H new ATOM 1565 N ARG B 11 -17.890 -2.280 4.605 1.00 0.25 N ATOM 1566 CA ARG B 11 -17.036 -3.264 3.958 1.00 0.21 C ATOM 1567 C ARG B 11 -17.422 -3.431 2.488 1.00 0.27 C ATOM 1568 O ARG B 11 -18.587 -3.272 2.116 1.00 0.53 O ATOM 1569 CB ARG B 11 -17.103 -4.609 4.698 1.00 0.24 C ATOM 1570 CG ARG B 11 -18.451 -5.314 4.611 1.00 0.31 C ATOM 1571 CD ARG B 11 -18.542 -6.466 5.597 1.00 0.68 C ATOM 1572 NE ARG B 11 -19.928 -6.874 5.825 1.00 1.23 N ATOM 1573 CZ ARG B 11 -20.291 -8.095 6.212 1.00 1.21 C ATOM 1574 NH1 ARG B 11 -19.372 -9.025 6.446 1.00 1.36 N1+ ATOM 1575 NH2 ARG B 11 -21.577 -8.375 6.376 1.00 1.72 N ATOM 0 H ARG B 11 -18.779 -2.651 4.940 1.00 0.25 H new ATOM 0 HA ARG B 11 -16.008 -2.905 3.999 1.00 0.21 H new ATOM 0 HB2 ARG B 11 -16.336 -5.269 4.294 1.00 0.24 H new ATOM 0 HB3 ARG B 11 -16.861 -4.444 5.748 1.00 0.24 H new ATOM 0 HG2 ARG B 11 -19.250 -4.600 4.810 1.00 0.31 H new ATOM 0 HG3 ARG B 11 -18.603 -5.688 3.598 1.00 0.31 H new ATOM 0 HD2 ARG B 11 -17.970 -7.314 5.220 1.00 0.68 H new ATOM 0 HD3 ARG B 11 -18.089 -6.172 6.544 1.00 0.68 H new ATOM 0 HE ARG B 11 -20.661 -6.180 5.678 1.00 1.23 H new ATOM 0 HH11 ARG B 11 -18.383 -8.805 6.329 1.00 1.36 H new ATOM 0 HH12 ARG B 11 -19.655 -9.959 6.742 1.00 1.36 H new ATOM 0 HH21 ARG B 11 -22.281 -7.657 6.206 1.00 1.72 H new ATOM 0 HH22 ARG B 11 -21.862 -9.308 6.672 1.00 1.72 H new ATOM 1589 N VAL B 12 -16.437 -3.745 1.664 1.00 0.16 N ATOM 1590 CA VAL B 12 -16.646 -3.925 0.235 1.00 0.15 C ATOM 1591 C VAL B 12 -15.935 -5.185 -0.257 1.00 0.12 C ATOM 1592 O VAL B 12 -14.817 -5.484 0.166 1.00 0.17 O ATOM 1593 CB VAL B 12 -16.152 -2.689 -0.559 1.00 0.19 C ATOM 1594 CG1 VAL B 12 -14.709 -2.348 -0.209 1.00 0.13 C ATOM 1595 CG2 VAL B 12 -16.294 -2.908 -2.056 1.00 0.25 C ATOM 0 H VAL B 12 -15.472 -3.882 1.964 1.00 0.16 H new ATOM 0 HA VAL B 12 -17.717 -4.037 0.065 1.00 0.15 H new ATOM 0 HB VAL B 12 -16.781 -1.846 -0.273 1.00 0.19 H new ATOM 0 HG11 VAL B 12 -14.392 -1.477 -0.782 1.00 0.13 H new ATOM 0 HG12 VAL B 12 -14.635 -2.128 0.856 1.00 0.13 H new ATOM 0 HG13 VAL B 12 -14.066 -3.195 -0.450 1.00 0.13 H new ATOM 0 HG21 VAL B 12 -15.940 -2.025 -2.588 1.00 0.25 H new ATOM 0 HG22 VAL B 12 -15.702 -3.773 -2.355 1.00 0.25 H new ATOM 0 HG23 VAL B 12 -17.342 -3.083 -2.300 1.00 0.25 H new ATOM 1605 N SER B 13 -16.597 -5.933 -1.128 1.00 0.09 N ATOM 1606 CA SER B 13 -16.023 -7.149 -1.679 1.00 0.12 C ATOM 1607 C SER B 13 -15.655 -6.939 -3.146 1.00 0.18 C ATOM 1608 O SER B 13 -16.487 -6.499 -3.946 1.00 0.48 O ATOM 1609 CB SER B 13 -17.009 -8.309 -1.532 1.00 0.12 C ATOM 1610 OG SER B 13 -17.417 -8.458 -0.181 1.00 0.38 O ATOM 0 H SER B 13 -17.534 -5.717 -1.468 1.00 0.09 H new ATOM 0 HA SER B 13 -15.115 -7.394 -1.127 1.00 0.12 H new ATOM 0 HB2 SER B 13 -17.881 -8.133 -2.162 1.00 0.12 H new ATOM 0 HB3 SER B 13 -16.545 -9.232 -1.880 1.00 0.12 H new ATOM 0 HG SER B 13 -18.048 -9.204 -0.110 1.00 0.38 H new ATOM 1616 N VAL B 14 -14.412 -7.256 -3.497 1.00 0.14 N ATOM 1617 CA VAL B 14 -13.931 -7.087 -4.862 1.00 0.13 C ATOM 1618 C VAL B 14 -13.064 -8.266 -5.288 1.00 0.09 C ATOM 1619 O VAL B 14 -12.731 -9.131 -4.474 1.00 0.19 O ATOM 1620 CB VAL B 14 -13.135 -5.771 -5.043 1.00 0.15 C ATOM 1621 CG1 VAL B 14 -14.051 -4.653 -5.518 1.00 0.27 C ATOM 1622 CG2 VAL B 14 -12.434 -5.370 -3.755 1.00 0.17 C ATOM 0 H VAL B 14 -13.718 -7.633 -2.851 1.00 0.14 H new ATOM 0 HA VAL B 14 -14.816 -7.040 -5.497 1.00 0.13 H new ATOM 0 HB VAL B 14 -12.372 -5.944 -5.802 1.00 0.15 H new ATOM 0 HG11 VAL B 14 -13.474 -3.736 -5.639 1.00 0.27 H new ATOM 0 HG12 VAL B 14 -14.498 -4.930 -6.473 1.00 0.27 H new ATOM 0 HG13 VAL B 14 -14.839 -4.491 -4.782 1.00 0.27 H new ATOM 0 HG21 VAL B 14 -11.884 -4.443 -3.914 1.00 0.17 H new ATOM 0 HG22 VAL B 14 -13.174 -5.223 -2.969 1.00 0.17 H new ATOM 0 HG23 VAL B 14 -11.741 -6.157 -3.458 1.00 0.17 H new ATOM 1632 N ARG B 15 -12.697 -8.286 -6.564 1.00 0.17 N ATOM 1633 CA ARG B 15 -11.888 -9.364 -7.120 1.00 0.12 C ATOM 1634 C ARG B 15 -10.399 -9.015 -7.126 1.00 0.08 C ATOM 1635 O ARG B 15 -10.010 -7.925 -7.541 1.00 0.12 O ATOM 1636 CB ARG B 15 -12.364 -9.674 -8.549 1.00 0.19 C ATOM 1637 CG ARG B 15 -11.512 -10.691 -9.304 1.00 0.32 C ATOM 1638 CD ARG B 15 -10.372 -10.026 -10.070 1.00 0.37 C ATOM 1639 NE ARG B 15 -10.848 -8.993 -10.990 1.00 0.23 N ATOM 1640 CZ ARG B 15 -10.052 -8.293 -11.803 1.00 0.17 C ATOM 1641 NH1 ARG B 15 -8.739 -8.493 -11.796 1.00 0.20 N1+ ATOM 1642 NH2 ARG B 15 -10.575 -7.381 -12.618 1.00 0.33 N ATOM 0 H ARG B 15 -12.949 -7.562 -7.237 1.00 0.17 H new ATOM 0 HA ARG B 15 -12.013 -10.243 -6.487 1.00 0.12 H new ATOM 0 HB2 ARG B 15 -13.389 -10.043 -8.503 1.00 0.19 H new ATOM 0 HB3 ARG B 15 -12.385 -8.745 -9.119 1.00 0.19 H new ATOM 0 HG2 ARG B 15 -11.102 -11.414 -8.599 1.00 0.32 H new ATOM 0 HG3 ARG B 15 -12.141 -11.246 -10.000 1.00 0.32 H new ATOM 0 HD2 ARG B 15 -9.671 -9.584 -9.362 1.00 0.37 H new ATOM 0 HD3 ARG B 15 -9.824 -10.783 -10.630 1.00 0.37 H new ATOM 0 HE ARG B 15 -11.848 -8.795 -11.012 1.00 0.23 H new ATOM 0 HH11 ARG B 15 -8.332 -9.185 -11.167 1.00 0.20 H new ATOM 0 HH12 ARG B 15 -8.138 -7.955 -12.420 1.00 0.20 H new ATOM 0 HH21 ARG B 15 -11.582 -7.217 -12.621 1.00 0.33 H new ATOM 0 HH22 ARG B 15 -9.969 -6.845 -13.240 1.00 0.33 H new ATOM 1656 N ILE B 16 -9.580 -9.956 -6.662 1.00 0.03 N ATOM 1657 CA ILE B 16 -8.130 -9.803 -6.640 1.00 0.08 C ATOM 1658 C ILE B 16 -7.481 -11.133 -7.020 1.00 0.13 C ATOM 1659 O ILE B 16 -7.647 -12.132 -6.318 1.00 0.15 O ATOM 1660 CB ILE B 16 -7.591 -9.368 -5.255 1.00 0.10 C ATOM 1661 CG1 ILE B 16 -8.294 -8.094 -4.766 1.00 0.11 C ATOM 1662 CG2 ILE B 16 -6.083 -9.147 -5.329 1.00 0.15 C ATOM 1663 CD1 ILE B 16 -8.062 -7.783 -3.302 1.00 0.15 C ATOM 0 H ILE B 16 -9.906 -10.848 -6.290 1.00 0.03 H new ATOM 0 HA ILE B 16 -7.879 -9.018 -7.353 1.00 0.08 H new ATOM 0 HB ILE B 16 -7.800 -10.163 -4.539 1.00 0.10 H new ATOM 0 HG12 ILE B 16 -7.951 -7.250 -5.364 1.00 0.11 H new ATOM 0 HG13 ILE B 16 -9.365 -8.194 -4.940 1.00 0.11 H new ATOM 0 HG21 ILE B 16 -5.712 -8.841 -4.351 1.00 0.15 H new ATOM 0 HG22 ILE B 16 -5.594 -10.074 -5.629 1.00 0.15 H new ATOM 0 HG23 ILE B 16 -5.865 -8.368 -6.060 1.00 0.15 H new ATOM 0 HD11 ILE B 16 -8.592 -6.869 -3.036 1.00 0.15 H new ATOM 0 HD12 ILE B 16 -8.432 -8.607 -2.692 1.00 0.15 H new ATOM 0 HD13 ILE B 16 -6.995 -7.649 -3.123 1.00 0.15 H new ATOM 1675 N TYR B 17 -6.786 -11.150 -8.154 1.00 0.18 N ATOM 1676 CA TYR B 17 -6.096 -12.343 -8.648 1.00 0.25 C ATOM 1677 C TYR B 17 -7.060 -13.511 -8.853 1.00 0.24 C ATOM 1678 O TYR B 17 -6.751 -14.658 -8.521 1.00 0.27 O ATOM 1679 CB TYR B 17 -4.962 -12.747 -7.698 1.00 0.29 C ATOM 1680 CG TYR B 17 -3.782 -13.388 -8.398 1.00 0.23 C ATOM 1681 CD1 TYR B 17 -3.135 -12.740 -9.444 1.00 0.22 C ATOM 1682 CD2 TYR B 17 -3.307 -14.635 -8.008 1.00 0.27 C ATOM 1683 CE1 TYR B 17 -2.052 -13.314 -10.082 1.00 0.20 C ATOM 1684 CE2 TYR B 17 -2.223 -15.217 -8.642 1.00 0.31 C ATOM 1685 CZ TYR B 17 -1.599 -14.552 -9.677 1.00 0.26 C ATOM 1686 OH TYR B 17 -0.517 -15.123 -10.307 1.00 0.34 O ATOM 0 H TYR B 17 -6.684 -10.336 -8.760 1.00 0.18 H new ATOM 0 HA TYR B 17 -5.668 -12.092 -9.619 1.00 0.25 H new ATOM 0 HB2 TYR B 17 -4.618 -11.863 -7.160 1.00 0.29 H new ATOM 0 HB3 TYR B 17 -5.353 -13.441 -6.954 1.00 0.29 H new ATOM 0 HD1 TYR B 17 -3.485 -11.770 -9.764 1.00 0.22 H new ATOM 0 HD2 TYR B 17 -3.792 -15.158 -7.197 1.00 0.27 H new ATOM 0 HE1 TYR B 17 -1.563 -12.796 -10.894 1.00 0.20 H new ATOM 0 HE2 TYR B 17 -1.867 -16.187 -8.328 1.00 0.31 H new ATOM 0 HH TYR B 17 -0.325 -15.994 -9.902 1.00 0.34 H new ATOM 1696 N GLY B 18 -8.236 -13.205 -9.394 1.00 0.21 N ATOM 1697 CA GLY B 18 -9.230 -14.229 -9.662 1.00 0.22 C ATOM 1698 C GLY B 18 -9.993 -14.686 -8.432 1.00 0.22 C ATOM 1699 O GLY B 18 -10.828 -15.583 -8.520 1.00 0.24 O ATOM 0 H GLY B 18 -8.519 -12.260 -9.653 1.00 0.21 H new ATOM 0 HA2 GLY B 18 -9.940 -13.848 -10.397 1.00 0.22 H new ATOM 0 HA3 GLY B 18 -8.737 -15.091 -10.112 1.00 0.22 H new ATOM 1703 N GLN B 19 -9.719 -14.083 -7.289 1.00 0.20 N ATOM 1704 CA GLN B 19 -10.397 -14.458 -6.056 1.00 0.21 C ATOM 1705 C GLN B 19 -11.172 -13.273 -5.497 1.00 0.18 C ATOM 1706 O GLN B 19 -10.880 -12.128 -5.833 1.00 0.13 O ATOM 1707 CB GLN B 19 -9.382 -14.965 -5.034 1.00 0.22 C ATOM 1708 CG GLN B 19 -8.669 -16.226 -5.485 1.00 0.56 C ATOM 1709 CD GLN B 19 -7.286 -16.358 -4.888 1.00 0.86 C ATOM 1710 OE1 GLN B 19 -7.112 -16.932 -3.815 1.00 0.81 O ATOM 1711 NE2 GLN B 19 -6.291 -15.831 -5.584 1.00 1.36 N ATOM 0 H GLN B 19 -9.035 -13.334 -7.186 1.00 0.20 H new ATOM 0 HA GLN B 19 -11.104 -15.259 -6.272 1.00 0.21 H new ATOM 0 HB2 GLN B 19 -8.645 -14.185 -4.844 1.00 0.22 H new ATOM 0 HB3 GLN B 19 -9.891 -15.159 -4.090 1.00 0.22 H new ATOM 0 HG2 GLN B 19 -9.265 -17.095 -5.207 1.00 0.56 H new ATOM 0 HG3 GLN B 19 -8.593 -16.227 -6.572 1.00 0.56 H new ATOM 0 HE21 GLN B 19 -6.480 -15.363 -6.470 1.00 1.36 H new ATOM 0 HE22 GLN B 19 -5.335 -15.893 -5.234 1.00 1.36 H new ATOM 1720 N ASP B 20 -12.158 -13.544 -4.652 1.00 0.24 N ATOM 1721 CA ASP B 20 -12.969 -12.483 -4.065 1.00 0.24 C ATOM 1722 C ASP B 20 -12.603 -12.270 -2.602 1.00 0.23 C ATOM 1723 O ASP B 20 -12.448 -13.228 -1.838 1.00 0.23 O ATOM 1724 CB ASP B 20 -14.468 -12.793 -4.207 1.00 0.31 C ATOM 1725 CG ASP B 20 -14.944 -13.904 -3.287 1.00 0.41 C ATOM 1726 OD1 ASP B 20 -14.510 -15.061 -3.466 1.00 0.39 O1- ATOM 1727 OD2 ASP B 20 -15.770 -13.630 -2.386 1.00 1.64 O ATOM 0 H ASP B 20 -12.416 -14.486 -4.358 1.00 0.24 H new ATOM 0 HA ASP B 20 -12.760 -11.562 -4.609 1.00 0.24 H new ATOM 0 HB2 ASP B 20 -15.040 -11.889 -3.999 1.00 0.31 H new ATOM 0 HB3 ASP B 20 -14.678 -13.072 -5.240 1.00 0.31 H new ATOM 1732 N TYR B 21 -12.438 -11.013 -2.221 1.00 0.23 N ATOM 1733 CA TYR B 21 -12.083 -10.667 -0.852 1.00 0.22 C ATOM 1734 C TYR B 21 -12.915 -9.489 -0.366 1.00 0.24 C ATOM 1735 O TYR B 21 -13.331 -8.645 -1.160 1.00 0.36 O ATOM 1736 CB TYR B 21 -10.602 -10.305 -0.751 1.00 0.19 C ATOM 1737 CG TYR B 21 -9.653 -11.405 -1.176 1.00 0.17 C ATOM 1738 CD1 TYR B 21 -9.309 -12.433 -0.306 1.00 0.16 C ATOM 1739 CD2 TYR B 21 -9.092 -11.405 -2.447 1.00 0.17 C ATOM 1740 CE1 TYR B 21 -8.433 -13.429 -0.692 1.00 0.15 C ATOM 1741 CE2 TYR B 21 -8.217 -12.401 -2.840 1.00 0.16 C ATOM 1742 CZ TYR B 21 -7.890 -13.409 -1.958 1.00 0.15 C ATOM 1743 OH TYR B 21 -7.009 -14.396 -2.340 1.00 0.14 O ATOM 0 H TYR B 21 -12.545 -10.212 -2.843 1.00 0.23 H new ATOM 0 HA TYR B 21 -12.284 -11.537 -0.228 1.00 0.22 H new ATOM 0 HB2 TYR B 21 -10.414 -9.424 -1.365 1.00 0.19 H new ATOM 0 HB3 TYR B 21 -10.379 -10.029 0.279 1.00 0.19 H new ATOM 0 HD1 TYR B 21 -9.733 -12.453 0.687 1.00 0.16 H new ATOM 0 HD2 TYR B 21 -9.343 -10.615 -3.139 1.00 0.17 H new ATOM 0 HE1 TYR B 21 -8.175 -14.220 -0.004 1.00 0.15 H new ATOM 0 HE2 TYR B 21 -7.792 -12.389 -3.833 1.00 0.16 H new ATOM 0 HH TYR B 21 -7.490 -15.244 -2.437 1.00 0.14 H new ATOM 1753 N THR B 22 -13.151 -9.440 0.938 1.00 0.18 N ATOM 1754 CA THR B 22 -13.918 -8.361 1.540 1.00 0.18 C ATOM 1755 C THR B 22 -13.022 -7.472 2.405 1.00 0.16 C ATOM 1756 O THR B 22 -12.400 -7.937 3.363 1.00 0.21 O ATOM 1757 CB THR B 22 -15.077 -8.913 2.401 1.00 0.20 C ATOM 1758 OG1 THR B 22 -15.840 -9.862 1.645 1.00 0.54 O ATOM 1759 CG2 THR B 22 -15.987 -7.788 2.875 1.00 0.26 C ATOM 0 H THR B 22 -12.819 -10.140 1.602 1.00 0.18 H new ATOM 0 HA THR B 22 -14.335 -7.766 0.727 1.00 0.18 H new ATOM 0 HB THR B 22 -14.647 -9.403 3.275 1.00 0.20 H new ATOM 0 HG1 THR B 22 -16.403 -9.388 0.998 1.00 0.54 H new ATOM 0 HG21 THR B 22 -16.794 -8.203 3.479 1.00 0.26 H new ATOM 0 HG22 THR B 22 -15.411 -7.083 3.474 1.00 0.26 H new ATOM 0 HG23 THR B 22 -16.408 -7.272 2.012 1.00 0.26 H new ATOM 1767 N ILE B 23 -12.957 -6.195 2.053 1.00 0.11 N ATOM 1768 CA ILE B 23 -12.143 -5.230 2.782 1.00 0.11 C ATOM 1769 C ILE B 23 -13.007 -4.096 3.304 1.00 0.14 C ATOM 1770 O ILE B 23 -14.224 -4.111 3.141 1.00 0.32 O ATOM 1771 CB ILE B 23 -10.994 -4.627 1.933 1.00 0.07 C ATOM 1772 CG1 ILE B 23 -11.348 -4.561 0.427 1.00 0.07 C ATOM 1773 CG2 ILE B 23 -9.701 -5.389 2.175 1.00 0.03 C ATOM 1774 CD1 ILE B 23 -11.183 -5.862 -0.342 1.00 0.08 C ATOM 0 H ILE B 23 -13.463 -5.800 1.260 1.00 0.11 H new ATOM 0 HA ILE B 23 -11.691 -5.784 3.605 1.00 0.11 H new ATOM 0 HB ILE B 23 -10.849 -3.596 2.256 1.00 0.07 H new ATOM 0 HG12 ILE B 23 -12.382 -4.230 0.329 1.00 0.07 H new ATOM 0 HG13 ILE B 23 -10.724 -3.800 -0.042 1.00 0.07 H new ATOM 0 HG21 ILE B 23 -8.904 -4.954 1.572 1.00 0.03 H new ATOM 0 HG22 ILE B 23 -9.434 -5.326 3.230 1.00 0.03 H new ATOM 0 HG23 ILE B 23 -9.837 -6.434 1.897 1.00 0.03 H new ATOM 0 HD11 ILE B 23 -11.457 -5.705 -1.385 1.00 0.08 H new ATOM 0 HD12 ILE B 23 -10.145 -6.189 -0.285 1.00 0.08 H new ATOM 0 HD13 ILE B 23 -11.829 -6.626 0.092 1.00 0.08 H new ATOM 1786 N VAL B 24 -12.378 -3.113 3.926 1.00 0.16 N ATOM 1787 CA VAL B 24 -13.097 -1.977 4.478 1.00 0.17 C ATOM 1788 C VAL B 24 -12.783 -0.710 3.688 1.00 0.22 C ATOM 1789 O VAL B 24 -11.631 -0.276 3.638 1.00 0.28 O ATOM 1790 CB VAL B 24 -12.740 -1.752 5.963 1.00 0.19 C ATOM 1791 CG1 VAL B 24 -13.747 -0.819 6.619 1.00 0.20 C ATOM 1792 CG2 VAL B 24 -12.673 -3.076 6.714 1.00 0.18 C ATOM 0 H VAL B 24 -11.368 -3.079 4.062 1.00 0.16 H new ATOM 0 HA VAL B 24 -14.162 -2.199 4.405 1.00 0.17 H new ATOM 0 HB VAL B 24 -11.755 -1.286 6.007 1.00 0.19 H new ATOM 0 HG11 VAL B 24 -13.479 -0.672 7.665 1.00 0.20 H new ATOM 0 HG12 VAL B 24 -13.741 0.142 6.105 1.00 0.20 H new ATOM 0 HG13 VAL B 24 -14.743 -1.258 6.558 1.00 0.20 H new ATOM 0 HG21 VAL B 24 -12.420 -2.890 7.758 1.00 0.18 H new ATOM 0 HG22 VAL B 24 -13.640 -3.575 6.659 1.00 0.18 H new ATOM 0 HG23 VAL B 24 -11.911 -3.712 6.264 1.00 0.18 H new ATOM 1802 N GLY B 25 -13.800 -0.121 3.070 1.00 0.21 N ATOM 1803 CA GLY B 25 -13.595 1.085 2.291 1.00 0.27 C ATOM 1804 C GLY B 25 -14.901 1.771 1.950 1.00 0.07 C ATOM 1805 O GLY B 25 -15.824 1.136 1.442 1.00 0.28 O ATOM 0 H GLY B 25 -14.763 -0.457 3.095 1.00 0.21 H new ATOM 0 HA2 GLY B 25 -12.959 1.773 2.849 1.00 0.27 H new ATOM 0 HA3 GLY B 25 -13.065 0.836 1.371 1.00 0.27 H new ATOM 1809 N ALA B 26 -14.985 3.066 2.232 1.00 0.15 N ATOM 1810 CA ALA B 26 -16.195 3.830 1.949 1.00 0.36 C ATOM 1811 C ALA B 26 -15.863 5.236 1.461 1.00 0.34 C ATOM 1812 O ALA B 26 -16.667 6.157 1.597 1.00 0.57 O ATOM 1813 CB ALA B 26 -17.076 3.896 3.182 1.00 0.61 C ATOM 0 H ALA B 26 -14.232 3.608 2.655 1.00 0.15 H new ATOM 0 HA ALA B 26 -16.736 3.318 1.153 1.00 0.36 H new ATOM 0 HB1 ALA B 26 -17.975 4.469 2.956 1.00 0.61 H new ATOM 0 HB2 ALA B 26 -17.355 2.887 3.484 1.00 0.61 H new ATOM 0 HB3 ALA B 26 -16.531 4.380 3.993 1.00 0.61 H new ATOM 1819 N GLU B 27 -14.669 5.397 0.910 1.00 0.08 N ATOM 1820 CA GLU B 27 -14.232 6.682 0.393 1.00 0.06 C ATOM 1821 C GLU B 27 -15.078 7.064 -0.816 1.00 0.07 C ATOM 1822 O GLU B 27 -15.639 8.159 -0.887 1.00 0.08 O ATOM 1823 CB GLU B 27 -12.748 6.611 0.012 1.00 0.06 C ATOM 1824 CG GLU B 27 -11.794 6.685 1.199 1.00 0.97 C ATOM 1825 CD GLU B 27 -11.932 5.528 2.176 1.00 1.82 C ATOM 1826 OE1 GLU B 27 -12.306 4.416 1.752 1.00 2.44 O1- ATOM 1827 OE2 GLU B 27 -11.663 5.735 3.381 1.00 2.18 O ATOM 0 H GLU B 27 -13.983 4.648 0.810 1.00 0.08 H new ATOM 0 HA GLU B 27 -14.357 7.445 1.162 1.00 0.06 H new ATOM 0 HB2 GLU B 27 -12.567 5.682 -0.528 1.00 0.06 H new ATOM 0 HB3 GLU B 27 -12.521 7.427 -0.674 1.00 0.06 H new ATOM 0 HG2 GLU B 27 -10.770 6.713 0.828 1.00 0.97 H new ATOM 0 HG3 GLU B 27 -11.966 7.620 1.732 1.00 0.97 H new ATOM 1834 N SER B 28 -15.162 6.140 -1.761 1.00 0.08 N ATOM 1835 CA SER B 28 -15.941 6.325 -2.972 1.00 0.11 C ATOM 1836 C SER B 28 -16.099 4.980 -3.673 1.00 0.14 C ATOM 1837 O SER B 28 -15.124 4.244 -3.834 1.00 0.14 O ATOM 1838 CB SER B 28 -15.273 7.344 -3.897 1.00 0.16 C ATOM 1839 OG SER B 28 -13.864 7.286 -3.774 1.00 0.98 O ATOM 0 H SER B 28 -14.689 5.238 -1.708 1.00 0.08 H new ATOM 0 HA SER B 28 -16.925 6.714 -2.711 1.00 0.11 H new ATOM 0 HB2 SER B 28 -15.561 7.148 -4.930 1.00 0.16 H new ATOM 0 HB3 SER B 28 -15.623 8.347 -3.654 1.00 0.16 H new ATOM 0 HG SER B 28 -13.463 8.044 -4.249 1.00 0.98 H new ATOM 1845 N PRO B 29 -17.329 4.642 -4.090 1.00 0.17 N ATOM 1846 CA PRO B 29 -17.629 3.368 -4.756 1.00 0.21 C ATOM 1847 C PRO B 29 -16.754 3.112 -5.983 1.00 0.18 C ATOM 1848 O PRO B 29 -16.414 1.970 -6.279 1.00 0.20 O ATOM 1849 CB PRO B 29 -19.102 3.501 -5.164 1.00 0.30 C ATOM 1850 CG PRO B 29 -19.417 4.953 -5.038 1.00 0.28 C ATOM 1851 CD PRO B 29 -18.530 5.475 -3.950 1.00 0.18 C ATOM 0 HA PRO B 29 -17.432 2.523 -4.096 1.00 0.21 H new ATOM 0 HB2 PRO B 29 -19.260 3.152 -6.184 1.00 0.30 H new ATOM 0 HB3 PRO B 29 -19.744 2.902 -4.519 1.00 0.30 H new ATOM 0 HG2 PRO B 29 -19.232 5.475 -5.977 1.00 0.28 H new ATOM 0 HG3 PRO B 29 -20.468 5.104 -4.791 1.00 0.28 H new ATOM 0 HD2 PRO B 29 -18.307 6.534 -4.082 1.00 0.18 H new ATOM 0 HD3 PRO B 29 -18.987 5.366 -2.967 1.00 0.18 H new ATOM 1859 N ALA B 30 -16.385 4.176 -6.685 1.00 0.18 N ATOM 1860 CA ALA B 30 -15.558 4.048 -7.875 1.00 0.16 C ATOM 1861 C ALA B 30 -14.092 3.814 -7.518 1.00 0.10 C ATOM 1862 O ALA B 30 -13.433 2.946 -8.096 1.00 0.05 O ATOM 1863 CB ALA B 30 -15.698 5.286 -8.745 1.00 0.20 C ATOM 0 H ALA B 30 -16.645 5.134 -6.451 1.00 0.18 H new ATOM 0 HA ALA B 30 -15.906 3.178 -8.432 1.00 0.16 H new ATOM 0 HB1 ALA B 30 -15.075 5.179 -9.633 1.00 0.20 H new ATOM 0 HB2 ALA B 30 -16.739 5.404 -9.045 1.00 0.20 H new ATOM 0 HB3 ALA B 30 -15.381 6.164 -8.182 1.00 0.20 H new ATOM 1869 N HIS B 31 -13.591 4.571 -6.544 1.00 0.15 N ATOM 1870 CA HIS B 31 -12.195 4.459 -6.134 1.00 0.13 C ATOM 1871 C HIS B 31 -11.901 3.096 -5.518 1.00 0.07 C ATOM 1872 O HIS B 31 -10.920 2.449 -5.881 1.00 0.05 O ATOM 1873 CB HIS B 31 -11.818 5.568 -5.145 1.00 0.20 C ATOM 1874 CG HIS B 31 -10.377 5.977 -5.227 1.00 0.38 C ATOM 1875 ND1 HIS B 31 -9.840 7.018 -4.505 1.00 0.76 N ATOM 1876 CD2 HIS B 31 -9.361 5.481 -5.970 1.00 1.42 C ATOM 1877 CE1 HIS B 31 -8.562 7.146 -4.805 1.00 0.48 C ATOM 1878 NE2 HIS B 31 -8.243 6.224 -5.691 1.00 1.22 N ATOM 0 H HIS B 31 -14.129 5.266 -6.026 1.00 0.15 H new ATOM 0 HA HIS B 31 -11.589 4.569 -7.033 1.00 0.13 H new ATOM 0 HB2 HIS B 31 -12.446 6.439 -5.331 1.00 0.20 H new ATOM 0 HB3 HIS B 31 -12.035 5.230 -4.132 1.00 0.20 H new ATOM 0 HD1 HIS B 31 -10.351 7.600 -3.841 1.00 0.76 H new ATOM 0 HD2 HIS B 31 -9.420 4.651 -6.658 1.00 1.42 H new ATOM 0 HE1 HIS B 31 -7.889 7.884 -4.393 1.00 0.48 H new ATOM 1887 N ILE B 32 -12.761 2.651 -4.608 1.00 0.08 N ATOM 1888 CA ILE B 32 -12.570 1.362 -3.939 1.00 0.08 C ATOM 1889 C ILE B 32 -12.614 0.192 -4.927 1.00 0.07 C ATOM 1890 O ILE B 32 -12.137 -0.899 -4.629 1.00 0.14 O ATOM 1891 CB ILE B 32 -13.610 1.126 -2.821 1.00 0.11 C ATOM 1892 CG1 ILE B 32 -15.032 1.060 -3.400 1.00 0.13 C ATOM 1893 CG2 ILE B 32 -13.501 2.215 -1.760 1.00 0.12 C ATOM 1894 CD1 ILE B 32 -16.101 0.727 -2.380 1.00 0.10 C ATOM 0 H ILE B 32 -13.595 3.159 -4.315 1.00 0.08 H new ATOM 0 HA ILE B 32 -11.578 1.405 -3.489 1.00 0.08 H new ATOM 0 HB ILE B 32 -13.399 0.166 -2.350 1.00 0.11 H new ATOM 0 HG12 ILE B 32 -15.270 2.019 -3.860 1.00 0.13 H new ATOM 0 HG13 ILE B 32 -15.056 0.312 -4.192 1.00 0.13 H new ATOM 0 HG21 ILE B 32 -14.239 2.037 -0.978 1.00 0.12 H new ATOM 0 HG22 ILE B 32 -12.502 2.201 -1.325 1.00 0.12 H new ATOM 0 HG23 ILE B 32 -13.684 3.188 -2.217 1.00 0.12 H new ATOM 0 HD11 ILE B 32 -17.075 0.700 -2.869 1.00 0.10 H new ATOM 0 HD12 ILE B 32 -15.890 -0.246 -1.937 1.00 0.10 H new ATOM 0 HD13 ILE B 32 -16.108 1.487 -1.599 1.00 0.10 H new ATOM 1906 N ARG B 33 -13.169 0.428 -6.109 1.00 0.07 N ATOM 1907 CA ARG B 33 -13.264 -0.619 -7.117 1.00 0.05 C ATOM 1908 C ARG B 33 -11.975 -0.733 -7.924 1.00 0.04 C ATOM 1909 O ARG B 33 -11.667 -1.795 -8.465 1.00 0.05 O ATOM 1910 CB ARG B 33 -14.443 -0.370 -8.060 1.00 0.07 C ATOM 1911 CG ARG B 33 -15.591 -1.348 -7.868 1.00 0.59 C ATOM 1912 CD ARG B 33 -16.232 -1.194 -6.501 1.00 0.36 C ATOM 1913 NE ARG B 33 -17.501 -1.909 -6.416 1.00 0.42 N ATOM 1914 CZ ARG B 33 -18.694 -1.316 -6.373 1.00 0.84 C ATOM 1915 NH1 ARG B 33 -18.787 0.010 -6.417 1.00 1.03 N1+ ATOM 1916 NH2 ARG B 33 -19.795 -2.054 -6.308 1.00 1.46 N ATOM 0 H ARG B 33 -13.557 1.328 -6.392 1.00 0.07 H new ATOM 0 HA ARG B 33 -13.427 -1.559 -6.589 1.00 0.05 H new ATOM 0 HB2 ARG B 33 -14.811 0.645 -7.908 1.00 0.07 H new ATOM 0 HB3 ARG B 33 -14.093 -0.431 -9.090 1.00 0.07 H new ATOM 0 HG2 ARG B 33 -16.341 -1.187 -8.643 1.00 0.59 H new ATOM 0 HG3 ARG B 33 -15.225 -2.368 -7.986 1.00 0.59 H new ATOM 0 HD2 ARG B 33 -15.552 -1.568 -5.736 1.00 0.36 H new ATOM 0 HD3 ARG B 33 -16.395 -0.137 -6.293 1.00 0.36 H new ATOM 0 HE ARG B 33 -17.473 -2.928 -6.388 1.00 0.42 H new ATOM 0 HH11 ARG B 33 -17.943 0.579 -6.484 1.00 1.03 H new ATOM 0 HH12 ARG B 33 -19.703 0.458 -6.384 1.00 1.03 H new ATOM 0 HH21 ARG B 33 -19.727 -3.072 -6.291 1.00 1.46 H new ATOM 0 HH22 ARG B 33 -20.710 -1.604 -6.275 1.00 1.46 H new ATOM 1930 N LEU B 34 -11.211 0.352 -8.007 1.00 0.06 N ATOM 1931 CA LEU B 34 -9.965 0.327 -8.767 1.00 0.09 C ATOM 1932 C LEU B 34 -8.784 -0.015 -7.869 1.00 0.08 C ATOM 1933 O LEU B 34 -7.703 -0.342 -8.356 1.00 0.12 O ATOM 1934 CB LEU B 34 -9.731 1.656 -9.507 1.00 0.12 C ATOM 1935 CG LEU B 34 -9.472 2.891 -8.638 1.00 0.10 C ATOM 1936 CD1 LEU B 34 -7.980 3.101 -8.420 1.00 0.09 C ATOM 1937 CD2 LEU B 34 -10.085 4.119 -9.289 1.00 0.14 C ATOM 0 H LEU B 34 -11.427 1.246 -7.566 1.00 0.06 H new ATOM 0 HA LEU B 34 -10.054 -0.457 -9.519 1.00 0.09 H new ATOM 0 HB2 LEU B 34 -8.881 1.527 -10.177 1.00 0.12 H new ATOM 0 HB3 LEU B 34 -10.602 1.856 -10.131 1.00 0.12 H new ATOM 0 HG LEU B 34 -9.937 2.731 -7.665 1.00 0.10 H new ATOM 0 HD11 LEU B 34 -7.824 3.984 -7.800 1.00 0.09 H new ATOM 0 HD12 LEU B 34 -7.559 2.228 -7.921 1.00 0.09 H new ATOM 0 HD13 LEU B 34 -7.488 3.242 -9.382 1.00 0.09 H new ATOM 0 HD21 LEU B 34 -9.897 4.993 -8.666 1.00 0.14 H new ATOM 0 HD22 LEU B 34 -9.638 4.271 -10.272 1.00 0.14 H new ATOM 0 HD23 LEU B 34 -11.160 3.975 -9.397 1.00 0.14 H new ATOM 1949 N VAL B 35 -8.994 0.057 -6.556 1.00 0.05 N ATOM 1950 CA VAL B 35 -7.942 -0.269 -5.596 1.00 0.08 C ATOM 1951 C VAL B 35 -7.506 -1.717 -5.782 1.00 0.08 C ATOM 1952 O VAL B 35 -6.313 -2.027 -5.826 1.00 0.11 O ATOM 1953 CB VAL B 35 -8.406 -0.067 -4.134 1.00 0.09 C ATOM 1954 CG1 VAL B 35 -7.314 -0.490 -3.164 1.00 0.14 C ATOM 1955 CG2 VAL B 35 -8.805 1.381 -3.888 1.00 0.09 C ATOM 0 H VAL B 35 -9.879 0.337 -6.134 1.00 0.05 H new ATOM 0 HA VAL B 35 -7.109 0.408 -5.784 1.00 0.08 H new ATOM 0 HB VAL B 35 -9.281 -0.695 -3.966 1.00 0.09 H new ATOM 0 HG11 VAL B 35 -7.658 -0.341 -2.141 1.00 0.14 H new ATOM 0 HG12 VAL B 35 -7.079 -1.543 -3.318 1.00 0.14 H new ATOM 0 HG13 VAL B 35 -6.421 0.110 -3.337 1.00 0.14 H new ATOM 0 HG21 VAL B 35 -9.128 1.499 -2.854 1.00 0.09 H new ATOM 0 HG22 VAL B 35 -7.951 2.031 -4.078 1.00 0.09 H new ATOM 0 HG23 VAL B 35 -9.623 1.652 -4.556 1.00 0.09 H new ATOM 1965 N ALA B 36 -8.491 -2.598 -5.915 1.00 0.07 N ATOM 1966 CA ALA B 36 -8.228 -4.013 -6.114 1.00 0.07 C ATOM 1967 C ALA B 36 -7.499 -4.244 -7.431 1.00 0.09 C ATOM 1968 O ALA B 36 -6.541 -5.004 -7.491 1.00 0.09 O ATOM 1969 CB ALA B 36 -9.532 -4.792 -6.088 1.00 0.08 C ATOM 0 H ALA B 36 -9.481 -2.353 -5.888 1.00 0.07 H new ATOM 0 HA ALA B 36 -7.589 -4.366 -5.304 1.00 0.07 H new ATOM 0 HB1 ALA B 36 -9.326 -5.852 -6.238 1.00 0.08 H new ATOM 0 HB2 ALA B 36 -10.021 -4.650 -5.124 1.00 0.08 H new ATOM 0 HB3 ALA B 36 -10.186 -4.434 -6.883 1.00 0.08 H new ATOM 1975 N ALA B 37 -7.951 -3.555 -8.478 1.00 0.12 N ATOM 1976 CA ALA B 37 -7.349 -3.677 -9.801 1.00 0.15 C ATOM 1977 C ALA B 37 -5.889 -3.227 -9.784 1.00 0.17 C ATOM 1978 O ALA B 37 -5.049 -3.783 -10.494 1.00 0.19 O ATOM 1979 CB ALA B 37 -8.145 -2.869 -10.813 1.00 0.21 C ATOM 0 H ALA B 37 -8.735 -2.905 -8.433 1.00 0.12 H new ATOM 0 HA ALA B 37 -7.371 -4.727 -10.092 1.00 0.15 H new ATOM 0 HB1 ALA B 37 -7.687 -2.967 -11.797 1.00 0.21 H new ATOM 0 HB2 ALA B 37 -9.169 -3.240 -10.850 1.00 0.21 H new ATOM 0 HB3 ALA B 37 -8.150 -1.820 -10.518 1.00 0.21 H new ATOM 1985 N PHE B 38 -5.596 -2.222 -8.965 1.00 0.16 N ATOM 1986 CA PHE B 38 -4.242 -1.698 -8.841 1.00 0.18 C ATOM 1987 C PHE B 38 -3.307 -2.781 -8.313 1.00 0.15 C ATOM 1988 O PHE B 38 -2.218 -2.992 -8.846 1.00 0.16 O ATOM 1989 CB PHE B 38 -4.227 -0.481 -7.908 1.00 0.23 C ATOM 1990 CG PHE B 38 -2.899 0.221 -7.846 1.00 0.20 C ATOM 1991 CD1 PHE B 38 -2.515 1.094 -8.852 1.00 0.28 C ATOM 1992 CD2 PHE B 38 -2.036 0.014 -6.779 1.00 0.37 C ATOM 1993 CE1 PHE B 38 -1.295 1.742 -8.798 1.00 0.27 C ATOM 1994 CE2 PHE B 38 -0.816 0.659 -6.721 1.00 0.36 C ATOM 1995 CZ PHE B 38 -0.445 1.525 -7.730 1.00 0.14 C ATOM 0 H PHE B 38 -6.283 -1.753 -8.375 1.00 0.16 H new ATOM 0 HA PHE B 38 -3.895 -1.385 -9.826 1.00 0.18 H new ATOM 0 HB2 PHE B 38 -4.987 0.227 -8.238 1.00 0.23 H new ATOM 0 HB3 PHE B 38 -4.505 -0.801 -6.904 1.00 0.23 H new ATOM 0 HD1 PHE B 38 -3.176 1.270 -9.687 1.00 0.28 H new ATOM 0 HD2 PHE B 38 -2.322 -0.659 -5.985 1.00 0.37 H new ATOM 0 HE1 PHE B 38 -1.006 2.417 -9.590 1.00 0.27 H new ATOM 0 HE2 PHE B 38 -0.153 0.486 -5.887 1.00 0.36 H new ATOM 0 HZ PHE B 38 0.508 2.032 -7.685 1.00 0.14 H new ATOM 2005 N VAL B 39 -3.751 -3.477 -7.272 1.00 0.14 N ATOM 2006 CA VAL B 39 -2.960 -4.548 -6.672 1.00 0.14 C ATOM 2007 C VAL B 39 -2.949 -5.771 -7.584 1.00 0.14 C ATOM 2008 O VAL B 39 -1.930 -6.458 -7.718 1.00 0.19 O ATOM 2009 CB VAL B 39 -3.512 -4.950 -5.286 1.00 0.15 C ATOM 2010 CG1 VAL B 39 -2.635 -6.009 -4.632 1.00 0.15 C ATOM 2011 CG2 VAL B 39 -3.635 -3.729 -4.389 1.00 0.22 C ATOM 0 H VAL B 39 -4.654 -3.320 -6.825 1.00 0.14 H new ATOM 0 HA VAL B 39 -1.944 -4.174 -6.545 1.00 0.14 H new ATOM 0 HB VAL B 39 -4.504 -5.378 -5.429 1.00 0.15 H new ATOM 0 HG11 VAL B 39 -3.048 -6.272 -3.658 1.00 0.15 H new ATOM 0 HG12 VAL B 39 -2.603 -6.896 -5.265 1.00 0.15 H new ATOM 0 HG13 VAL B 39 -1.626 -5.618 -4.504 1.00 0.15 H new ATOM 0 HG21 VAL B 39 -4.025 -4.030 -3.417 1.00 0.22 H new ATOM 0 HG22 VAL B 39 -2.654 -3.272 -4.261 1.00 0.22 H new ATOM 0 HG23 VAL B 39 -4.314 -3.009 -4.846 1.00 0.22 H new ATOM 2021 N ASP B 40 -4.092 -6.020 -8.213 1.00 0.14 N ATOM 2022 CA ASP B 40 -4.259 -7.146 -9.128 1.00 0.21 C ATOM 2023 C ASP B 40 -3.208 -7.105 -10.231 1.00 0.27 C ATOM 2024 O ASP B 40 -2.467 -8.069 -10.431 1.00 0.34 O ATOM 2025 CB ASP B 40 -5.666 -7.106 -9.734 1.00 0.21 C ATOM 2026 CG ASP B 40 -6.011 -8.339 -10.546 1.00 0.33 C ATOM 2027 OD1 ASP B 40 -5.694 -8.367 -11.751 1.00 0.47 O ATOM 2028 OD2 ASP B 40 -6.642 -9.264 -9.988 1.00 0.32 O1- ATOM 0 H ASP B 40 -4.929 -5.448 -8.104 1.00 0.14 H new ATOM 0 HA ASP B 40 -4.130 -8.075 -8.573 1.00 0.21 H new ATOM 0 HB2 ASP B 40 -6.395 -6.993 -8.932 1.00 0.21 H new ATOM 0 HB3 ASP B 40 -5.754 -6.225 -10.370 1.00 0.21 H new ATOM 2033 N ASP B 41 -3.113 -5.973 -10.917 1.00 0.28 N ATOM 2034 CA ASP B 41 -2.140 -5.828 -11.995 1.00 0.37 C ATOM 2035 C ASP B 41 -0.718 -5.753 -11.444 1.00 0.32 C ATOM 2036 O ASP B 41 0.237 -6.158 -12.108 1.00 0.32 O ATOM 2037 CB ASP B 41 -2.425 -4.596 -12.849 1.00 0.46 C ATOM 2038 CG ASP B 41 -1.557 -4.570 -14.095 1.00 0.78 C ATOM 2039 OD1 ASP B 41 -1.622 -5.534 -14.892 1.00 1.11 O1- ATOM 2040 OD2 ASP B 41 -0.800 -3.593 -14.277 1.00 0.92 O ATOM 0 H ASP B 41 -3.691 -5.149 -10.750 1.00 0.28 H new ATOM 0 HA ASP B 41 -2.231 -6.712 -12.626 1.00 0.37 H new ATOM 0 HB2 ASP B 41 -3.476 -4.586 -13.136 1.00 0.46 H new ATOM 0 HB3 ASP B 41 -2.247 -3.695 -12.261 1.00 0.46 H new ATOM 2045 N LYS B 42 -0.582 -5.240 -10.224 1.00 0.28 N ATOM 2046 CA LYS B 42 0.721 -5.112 -9.581 1.00 0.24 C ATOM 2047 C LYS B 42 1.361 -6.486 -9.378 1.00 0.20 C ATOM 2048 O LYS B 42 2.495 -6.717 -9.798 1.00 0.18 O ATOM 2049 CB LYS B 42 0.576 -4.388 -8.237 1.00 0.24 C ATOM 2050 CG LYS B 42 1.897 -4.081 -7.539 1.00 0.21 C ATOM 2051 CD LYS B 42 2.580 -2.850 -8.116 1.00 0.40 C ATOM 2052 CE LYS B 42 3.596 -3.220 -9.183 1.00 0.55 C ATOM 2053 NZ LYS B 42 3.960 -2.063 -10.043 1.00 0.48 N1+ ATOM 0 H LYS B 42 -1.363 -4.905 -9.659 1.00 0.28 H new ATOM 0 HA LYS B 42 1.371 -4.525 -10.230 1.00 0.24 H new ATOM 0 HB2 LYS B 42 0.039 -3.453 -8.398 1.00 0.24 H new ATOM 0 HB3 LYS B 42 -0.038 -4.998 -7.574 1.00 0.24 H new ATOM 0 HG2 LYS B 42 1.717 -3.929 -6.475 1.00 0.21 H new ATOM 0 HG3 LYS B 42 2.562 -4.940 -7.630 1.00 0.21 H new ATOM 0 HD2 LYS B 42 1.830 -2.184 -8.543 1.00 0.40 H new ATOM 0 HD3 LYS B 42 3.076 -2.300 -7.316 1.00 0.40 H new ATOM 0 HE2 LYS B 42 4.494 -3.611 -8.706 1.00 0.55 H new ATOM 0 HE3 LYS B 42 3.192 -4.019 -9.805 1.00 0.55 H new ATOM 0 HZ1 LYS B 42 4.225 -2.404 -10.989 1.00 0.48 H new ATOM 0 HZ2 LYS B 42 3.147 -1.420 -10.122 1.00 0.48 H new ATOM 0 HZ3 LYS B 42 4.763 -1.555 -9.620 1.00 0.48 H new ATOM 2067 N MET B 43 0.623 -7.403 -8.762 1.00 0.21 N ATOM 2068 CA MET B 43 1.137 -8.748 -8.520 1.00 0.19 C ATOM 2069 C MET B 43 1.235 -9.527 -9.828 1.00 0.17 C ATOM 2070 O MET B 43 2.097 -10.386 -9.985 1.00 0.18 O ATOM 2071 CB MET B 43 0.276 -9.495 -7.493 1.00 0.24 C ATOM 2072 CG MET B 43 -1.127 -9.835 -7.971 1.00 0.25 C ATOM 2073 SD MET B 43 -2.136 -10.591 -6.682 1.00 0.31 S ATOM 2074 CE MET B 43 -1.106 -11.981 -6.214 1.00 0.24 C ATOM 0 H MET B 43 -0.326 -7.243 -8.423 1.00 0.21 H new ATOM 0 HA MET B 43 2.140 -8.658 -8.102 1.00 0.19 H new ATOM 0 HB2 MET B 43 0.785 -10.418 -7.215 1.00 0.24 H new ATOM 0 HB3 MET B 43 0.201 -8.888 -6.591 1.00 0.24 H new ATOM 0 HG2 MET B 43 -1.616 -8.927 -8.324 1.00 0.25 H new ATOM 0 HG3 MET B 43 -1.062 -10.514 -8.821 1.00 0.25 H new ATOM 0 HE1 MET B 43 -1.710 -12.722 -5.691 1.00 0.24 H new ATOM 0 HE2 MET B 43 -0.674 -12.431 -7.108 1.00 0.24 H new ATOM 0 HE3 MET B 43 -0.306 -11.637 -5.558 1.00 0.24 H new ATOM 2084 N HIS B 44 0.364 -9.195 -10.774 1.00 0.16 N ATOM 2085 CA HIS B 44 0.363 -9.844 -12.085 1.00 0.19 C ATOM 2086 C HIS B 44 1.595 -9.409 -12.884 1.00 0.25 C ATOM 2087 O HIS B 44 2.003 -10.069 -13.837 1.00 0.61 O ATOM 2088 CB HIS B 44 -0.949 -9.522 -12.832 1.00 0.26 C ATOM 2089 CG HIS B 44 -0.847 -9.466 -14.330 1.00 0.47 C ATOM 2090 ND1 HIS B 44 -0.942 -8.291 -15.055 1.00 0.54 N ATOM 2091 CD2 HIS B 44 -0.673 -10.452 -15.243 1.00 1.09 C ATOM 2092 CE1 HIS B 44 -0.832 -8.563 -16.341 1.00 1.18 C ATOM 2093 NE2 HIS B 44 -0.668 -9.862 -16.480 1.00 1.53 N ATOM 0 H HIS B 44 -0.353 -8.479 -10.660 1.00 0.16 H new ATOM 0 HA HIS B 44 0.415 -10.925 -11.959 1.00 0.19 H new ATOM 0 HB2 HIS B 44 -1.692 -10.273 -12.564 1.00 0.26 H new ATOM 0 HB3 HIS B 44 -1.323 -8.562 -12.475 1.00 0.26 H new ATOM 0 HD1 HIS B 44 -1.076 -7.361 -14.658 1.00 0.54 H new ATOM 0 HD2 HIS B 44 -0.559 -11.506 -15.035 1.00 1.09 H new ATOM 0 HE1 HIS B 44 -0.870 -7.842 -17.144 1.00 1.18 H new ATOM 2102 N GLU B 45 2.189 -8.298 -12.480 1.00 0.14 N ATOM 2103 CA GLU B 45 3.377 -7.787 -13.146 1.00 0.11 C ATOM 2104 C GLU B 45 4.633 -8.382 -12.514 1.00 0.07 C ATOM 2105 O GLU B 45 5.612 -8.676 -13.203 1.00 0.03 O ATOM 2106 CB GLU B 45 3.411 -6.249 -13.091 1.00 0.10 C ATOM 2107 CG GLU B 45 4.797 -5.665 -12.823 1.00 0.07 C ATOM 2108 CD GLU B 45 4.860 -4.172 -13.057 1.00 0.22 C ATOM 2109 OE1 GLU B 45 4.818 -3.747 -14.229 1.00 0.43 O1- ATOM 2110 OE2 GLU B 45 4.958 -3.414 -12.072 1.00 0.49 O ATOM 0 H GLU B 45 1.868 -7.732 -11.694 1.00 0.14 H new ATOM 0 HA GLU B 45 3.345 -8.085 -14.194 1.00 0.11 H new ATOM 0 HB2 GLU B 45 3.039 -5.854 -14.036 1.00 0.10 H new ATOM 0 HB3 GLU B 45 2.728 -5.909 -12.312 1.00 0.10 H new ATOM 0 HG2 GLU B 45 5.083 -5.879 -11.793 1.00 0.07 H new ATOM 0 HG3 GLU B 45 5.525 -6.160 -13.466 1.00 0.07 H new ATOM 2117 N PHE B 46 4.594 -8.588 -11.203 1.00 0.11 N ATOM 2118 CA PHE B 46 5.746 -9.127 -10.496 1.00 0.10 C ATOM 2119 C PHE B 46 5.800 -10.647 -10.557 1.00 0.10 C ATOM 2120 O PHE B 46 6.842 -11.243 -10.264 1.00 0.11 O ATOM 2121 CB PHE B 46 5.779 -8.630 -9.052 1.00 0.11 C ATOM 2122 CG PHE B 46 6.627 -7.400 -8.896 1.00 0.13 C ATOM 2123 CD1 PHE B 46 8.011 -7.502 -8.864 1.00 0.14 C ATOM 2124 CD2 PHE B 46 6.052 -6.144 -8.805 1.00 0.16 C ATOM 2125 CE1 PHE B 46 8.801 -6.376 -8.741 1.00 0.14 C ATOM 2126 CE2 PHE B 46 6.839 -5.013 -8.686 1.00 0.17 C ATOM 2127 CZ PHE B 46 8.215 -5.130 -8.653 1.00 0.15 C ATOM 0 H PHE B 46 3.785 -8.392 -10.614 1.00 0.11 H new ATOM 0 HA PHE B 46 6.637 -8.760 -11.005 1.00 0.10 H new ATOM 0 HB2 PHE B 46 4.763 -8.414 -8.720 1.00 0.11 H new ATOM 0 HB3 PHE B 46 6.164 -9.419 -8.406 1.00 0.11 H new ATOM 0 HD1 PHE B 46 8.476 -8.474 -8.936 1.00 0.14 H new ATOM 0 HD2 PHE B 46 4.977 -6.046 -8.827 1.00 0.16 H new ATOM 0 HE1 PHE B 46 9.876 -6.471 -8.714 1.00 0.14 H new ATOM 0 HE2 PHE B 46 6.378 -4.039 -8.619 1.00 0.17 H new ATOM 0 HZ PHE B 46 8.831 -4.248 -8.559 1.00 0.15 H new ATOM 2137 N SER B 47 4.695 -11.277 -10.943 1.00 0.09 N ATOM 2138 CA SER B 47 4.650 -12.729 -11.064 1.00 0.10 C ATOM 2139 C SER B 47 5.611 -13.191 -12.154 1.00 0.09 C ATOM 2140 O SER B 47 6.174 -14.285 -12.080 1.00 0.13 O ATOM 2141 CB SER B 47 3.224 -13.196 -11.371 1.00 0.13 C ATOM 2142 OG SER B 47 2.666 -12.456 -12.441 1.00 0.49 O ATOM 0 H SER B 47 3.821 -10.806 -11.177 1.00 0.09 H new ATOM 0 HA SER B 47 4.957 -13.171 -10.116 1.00 0.10 H new ATOM 0 HB2 SER B 47 3.231 -14.257 -11.623 1.00 0.13 H new ATOM 0 HB3 SER B 47 2.602 -13.083 -10.483 1.00 0.13 H new ATOM 0 HG SER B 47 1.756 -12.774 -12.619 1.00 0.49 H new ATOM 2148 N GLU B 48 5.810 -12.332 -13.151 1.00 0.13 N ATOM 2149 CA GLU B 48 6.710 -12.624 -14.258 1.00 0.12 C ATOM 2150 C GLU B 48 8.157 -12.635 -13.775 1.00 0.09 C ATOM 2151 O GLU B 48 9.015 -13.301 -14.353 1.00 0.07 O ATOM 2152 CB GLU B 48 6.535 -11.586 -15.372 1.00 0.15 C ATOM 2153 CG GLU B 48 7.252 -11.946 -16.663 1.00 0.17 C ATOM 2154 CD GLU B 48 7.947 -10.760 -17.295 1.00 0.71 C ATOM 2155 OE1 GLU B 48 9.002 -10.333 -16.774 1.00 0.76 O1- ATOM 2156 OE2 GLU B 48 7.453 -10.248 -18.321 1.00 1.67 O ATOM 0 H GLU B 48 5.355 -11.421 -13.212 1.00 0.13 H new ATOM 0 HA GLU B 48 6.465 -13.609 -14.654 1.00 0.12 H new ATOM 0 HB2 GLU B 48 5.472 -11.465 -15.579 1.00 0.15 H new ATOM 0 HB3 GLU B 48 6.903 -10.622 -15.019 1.00 0.15 H new ATOM 0 HG2 GLU B 48 7.986 -12.726 -16.461 1.00 0.17 H new ATOM 0 HG3 GLU B 48 6.533 -12.360 -17.370 1.00 0.17 H new ATOM 2163 N LYS B 49 8.417 -11.901 -12.701 1.00 0.10 N ATOM 2164 CA LYS B 49 9.759 -11.827 -12.139 1.00 0.10 C ATOM 2165 C LYS B 49 9.958 -12.979 -11.161 1.00 0.15 C ATOM 2166 O LYS B 49 10.902 -13.757 -11.289 1.00 0.23 O ATOM 2167 CB LYS B 49 9.997 -10.484 -11.423 1.00 0.09 C ATOM 2168 CG LYS B 49 9.396 -9.266 -12.124 1.00 0.12 C ATOM 2169 CD LYS B 49 9.895 -9.113 -13.555 1.00 0.05 C ATOM 2170 CE LYS B 49 9.113 -8.039 -14.306 1.00 1.11 C ATOM 2171 NZ LYS B 49 9.533 -7.929 -15.726 1.00 1.14 N1+ ATOM 0 H LYS B 49 7.718 -11.350 -12.203 1.00 0.10 H new ATOM 0 HA LYS B 49 10.479 -11.901 -12.954 1.00 0.10 H new ATOM 0 HB2 LYS B 49 9.583 -10.547 -10.417 1.00 0.09 H new ATOM 0 HB3 LYS B 49 11.071 -10.331 -11.317 1.00 0.09 H new ATOM 0 HG2 LYS B 49 8.309 -9.353 -12.129 1.00 0.12 H new ATOM 0 HG3 LYS B 49 9.642 -8.367 -11.559 1.00 0.12 H new ATOM 0 HD2 LYS B 49 10.954 -8.855 -13.547 1.00 0.05 H new ATOM 0 HD3 LYS B 49 9.803 -10.065 -14.078 1.00 0.05 H new ATOM 0 HE2 LYS B 49 8.048 -8.269 -14.261 1.00 1.11 H new ATOM 0 HE3 LYS B 49 9.253 -7.078 -13.812 1.00 1.11 H new ATOM 0 HZ1 LYS B 49 9.231 -7.010 -16.107 1.00 1.14 H new ATOM 0 HZ2 LYS B 49 10.568 -8.006 -15.789 1.00 1.14 H new ATOM 0 HZ3 LYS B 49 9.095 -8.694 -16.278 1.00 1.14 H new ATOM 2185 N GLN B 50 9.035 -13.073 -10.201 1.00 0.20 N ATOM 2186 CA GLN B 50 9.029 -14.121 -9.178 1.00 0.30 C ATOM 2187 C GLN B 50 10.417 -14.351 -8.562 1.00 0.13 C ATOM 2188 O GLN B 50 11.077 -15.348 -8.846 1.00 0.29 O ATOM 2189 CB GLN B 50 8.485 -15.414 -9.780 1.00 0.53 C ATOM 2190 CG GLN B 50 7.574 -16.182 -8.842 1.00 1.05 C ATOM 2191 CD GLN B 50 6.988 -17.429 -9.476 1.00 1.30 C ATOM 2192 OE1 GLN B 50 7.535 -18.522 -9.343 1.00 1.37 O ATOM 2193 NE2 GLN B 50 5.879 -17.269 -10.181 1.00 1.60 N ATOM 0 H GLN B 50 8.261 -12.415 -10.111 1.00 0.20 H new ATOM 0 HA GLN B 50 8.382 -13.791 -8.366 1.00 0.30 H new ATOM 0 HB2 GLN B 50 7.938 -15.178 -10.693 1.00 0.53 H new ATOM 0 HB3 GLN B 50 9.321 -16.052 -10.065 1.00 0.53 H new ATOM 0 HG2 GLN B 50 8.134 -16.463 -7.950 1.00 1.05 H new ATOM 0 HG3 GLN B 50 6.763 -15.530 -8.517 1.00 1.05 H new ATOM 0 HE21 GLN B 50 5.458 -16.344 -10.266 1.00 1.60 H new ATOM 0 HE22 GLN B 50 5.446 -18.071 -10.639 1.00 1.60 H new ATOM 2202 N PRO B 51 10.871 -13.437 -7.692 1.00 0.16 N ATOM 2203 CA PRO B 51 12.186 -13.549 -7.053 1.00 0.27 C ATOM 2204 C PRO B 51 12.216 -14.561 -5.904 1.00 0.20 C ATOM 2205 O PRO B 51 13.277 -15.067 -5.540 1.00 0.19 O ATOM 2206 CB PRO B 51 12.434 -12.138 -6.527 1.00 0.48 C ATOM 2207 CG PRO B 51 11.074 -11.584 -6.266 1.00 0.51 C ATOM 2208 CD PRO B 51 10.156 -12.213 -7.283 1.00 0.41 C ATOM 0 HA PRO B 51 12.942 -13.909 -7.751 1.00 0.27 H new ATOM 0 HB2 PRO B 51 13.035 -12.155 -5.618 1.00 0.48 H new ATOM 0 HB3 PRO B 51 12.974 -11.534 -7.256 1.00 0.48 H new ATOM 0 HG2 PRO B 51 10.748 -11.816 -5.252 1.00 0.51 H new ATOM 0 HG3 PRO B 51 11.072 -10.498 -6.360 1.00 0.51 H new ATOM 0 HD2 PRO B 51 9.181 -12.444 -6.853 1.00 0.41 H new ATOM 0 HD3 PRO B 51 9.982 -11.549 -8.130 1.00 0.41 H new ATOM 2216 N MET B 52 11.048 -14.847 -5.334 1.00 0.17 N ATOM 2217 CA MET B 52 10.958 -15.794 -4.220 1.00 0.11 C ATOM 2218 C MET B 52 10.297 -17.109 -4.640 1.00 0.09 C ATOM 2219 O MET B 52 10.236 -18.049 -3.852 1.00 0.08 O ATOM 2220 CB MET B 52 10.196 -15.174 -3.049 1.00 0.12 C ATOM 2221 CG MET B 52 10.992 -14.114 -2.301 1.00 0.18 C ATOM 2222 SD MET B 52 12.561 -14.736 -1.669 1.00 0.26 S ATOM 2223 CE MET B 52 13.326 -13.220 -1.098 1.00 0.43 C ATOM 0 H MET B 52 10.157 -14.442 -5.620 1.00 0.17 H new ATOM 0 HA MET B 52 11.977 -16.020 -3.905 1.00 0.11 H new ATOM 0 HB2 MET B 52 9.273 -14.729 -3.421 1.00 0.12 H new ATOM 0 HB3 MET B 52 9.912 -15.963 -2.352 1.00 0.12 H new ATOM 0 HG2 MET B 52 11.182 -13.272 -2.966 1.00 0.18 H new ATOM 0 HG3 MET B 52 10.395 -13.736 -1.471 1.00 0.18 H new ATOM 0 HE1 MET B 52 14.328 -13.435 -0.728 1.00 0.43 H new ATOM 0 HE2 MET B 52 13.389 -12.511 -1.923 1.00 0.43 H new ATOM 0 HE3 MET B 52 12.727 -12.790 -0.295 1.00 0.43 H new ATOM 2233 N LEU B 53 9.812 -17.159 -5.882 1.00 0.10 N ATOM 2234 CA LEU B 53 9.168 -18.357 -6.437 1.00 0.11 C ATOM 2235 C LEU B 53 8.079 -18.924 -5.524 1.00 0.08 C ATOM 2236 O LEU B 53 7.995 -20.135 -5.319 1.00 0.10 O ATOM 2237 CB LEU B 53 10.219 -19.429 -6.732 1.00 0.19 C ATOM 2238 CG LEU B 53 11.375 -18.972 -7.622 1.00 0.25 C ATOM 2239 CD1 LEU B 53 12.425 -20.057 -7.710 1.00 0.62 C ATOM 2240 CD2 LEU B 53 10.877 -18.606 -9.011 1.00 1.07 C ATOM 0 H LEU B 53 9.853 -16.374 -6.532 1.00 0.10 H new ATOM 0 HA LEU B 53 8.678 -18.054 -7.363 1.00 0.11 H new ATOM 0 HB2 LEU B 53 10.627 -19.786 -5.787 1.00 0.19 H new ATOM 0 HB3 LEU B 53 9.727 -20.278 -7.208 1.00 0.19 H new ATOM 0 HG LEU B 53 11.821 -18.083 -7.176 1.00 0.25 H new ATOM 0 HD11 LEU B 53 13.243 -19.721 -8.346 1.00 0.62 H new ATOM 0 HD12 LEU B 53 12.807 -20.275 -6.713 1.00 0.62 H new ATOM 0 HD13 LEU B 53 11.982 -20.958 -8.134 1.00 0.62 H new ATOM 0 HD21 LEU B 53 11.718 -18.284 -9.626 1.00 1.07 H new ATOM 0 HD22 LEU B 53 10.405 -19.475 -9.469 1.00 1.07 H new ATOM 0 HD23 LEU B 53 10.151 -17.796 -8.936 1.00 1.07 H new ATOM 2252 N ASP B 54 7.233 -18.050 -4.995 1.00 0.09 N ATOM 2253 CA ASP B 54 6.143 -18.472 -4.120 1.00 0.12 C ATOM 2254 C ASP B 54 5.042 -17.418 -4.125 1.00 0.10 C ATOM 2255 O ASP B 54 5.325 -16.220 -4.175 1.00 0.18 O ATOM 2256 CB ASP B 54 6.655 -18.719 -2.699 1.00 0.19 C ATOM 2257 CG ASP B 54 5.645 -19.433 -1.824 1.00 0.24 C ATOM 2258 OD1 ASP B 54 4.808 -20.185 -2.363 1.00 0.26 O ATOM 2259 OD2 ASP B 54 5.689 -19.251 -0.588 1.00 0.28 O1- ATOM 0 H ASP B 54 7.279 -17.044 -5.156 1.00 0.09 H new ATOM 0 HA ASP B 54 5.732 -19.410 -4.493 1.00 0.12 H new ATOM 0 HB2 ASP B 54 7.570 -19.310 -2.745 1.00 0.19 H new ATOM 0 HB3 ASP B 54 6.915 -17.765 -2.241 1.00 0.19 H new ATOM 2264 N VAL B 55 3.792 -17.870 -4.068 1.00 0.11 N ATOM 2265 CA VAL B 55 2.634 -16.976 -4.104 1.00 0.12 C ATOM 2266 C VAL B 55 2.591 -15.995 -2.916 1.00 0.08 C ATOM 2267 O VAL B 55 2.596 -14.782 -3.129 1.00 0.04 O ATOM 2268 CB VAL B 55 1.308 -17.770 -4.178 1.00 0.17 C ATOM 2269 CG1 VAL B 55 0.115 -16.827 -4.258 1.00 0.08 C ATOM 2270 CG2 VAL B 55 1.322 -18.716 -5.371 1.00 0.32 C ATOM 0 H VAL B 55 3.552 -18.859 -3.996 1.00 0.11 H new ATOM 0 HA VAL B 55 2.748 -16.384 -5.012 1.00 0.12 H new ATOM 0 HB VAL B 55 1.212 -18.361 -3.267 1.00 0.17 H new ATOM 0 HG11 VAL B 55 -0.806 -17.408 -4.309 1.00 0.08 H new ATOM 0 HG12 VAL B 55 0.094 -16.191 -3.373 1.00 0.08 H new ATOM 0 HG13 VAL B 55 0.202 -16.206 -5.149 1.00 0.08 H new ATOM 0 HG21 VAL B 55 0.382 -19.267 -5.409 1.00 0.32 H new ATOM 0 HG22 VAL B 55 1.443 -18.142 -6.289 1.00 0.32 H new ATOM 0 HG23 VAL B 55 2.150 -19.417 -5.270 1.00 0.32 H new ATOM 2280 N PRO B 56 2.553 -16.477 -1.651 1.00 0.10 N ATOM 2281 CA PRO B 56 2.499 -15.587 -0.482 1.00 0.10 C ATOM 2282 C PRO B 56 3.701 -14.648 -0.404 1.00 0.07 C ATOM 2283 O PRO B 56 3.588 -13.516 0.070 1.00 0.14 O ATOM 2284 CB PRO B 56 2.490 -16.542 0.717 1.00 0.14 C ATOM 2285 CG PRO B 56 2.973 -17.847 0.186 1.00 0.15 C ATOM 2286 CD PRO B 56 2.550 -17.895 -1.254 1.00 0.14 C ATOM 0 HA PRO B 56 1.628 -14.933 -0.523 1.00 0.10 H new ATOM 0 HB2 PRO B 56 3.138 -16.178 1.514 1.00 0.14 H new ATOM 0 HB3 PRO B 56 1.489 -16.635 1.138 1.00 0.14 H new ATOM 0 HG2 PRO B 56 4.056 -17.927 0.276 1.00 0.15 H new ATOM 0 HG3 PRO B 56 2.544 -18.678 0.746 1.00 0.15 H new ATOM 0 HD2 PRO B 56 3.241 -18.484 -1.857 1.00 0.14 H new ATOM 0 HD3 PRO B 56 1.563 -18.344 -1.369 1.00 0.14 H new ATOM 2294 N LYS B 57 4.843 -15.116 -0.892 1.00 0.09 N ATOM 2295 CA LYS B 57 6.065 -14.321 -0.872 1.00 0.06 C ATOM 2296 C LYS B 57 6.009 -13.231 -1.938 1.00 0.07 C ATOM 2297 O LYS B 57 6.659 -12.194 -1.817 1.00 0.12 O ATOM 2298 CB LYS B 57 7.289 -15.211 -1.097 1.00 0.12 C ATOM 2299 CG LYS B 57 7.273 -16.493 -0.281 1.00 0.17 C ATOM 2300 CD LYS B 57 7.492 -16.242 1.204 1.00 0.47 C ATOM 2301 CE LYS B 57 6.992 -17.408 2.046 1.00 0.23 C ATOM 2302 NZ LYS B 57 7.320 -18.724 1.435 1.00 0.62 N1+ ATOM 0 H LYS B 57 4.949 -16.042 -1.307 1.00 0.09 H new ATOM 0 HA LYS B 57 6.150 -13.851 0.108 1.00 0.06 H new ATOM 0 HB2 LYS B 57 7.352 -15.465 -2.155 1.00 0.12 H new ATOM 0 HB3 LYS B 57 8.188 -14.646 -0.851 1.00 0.12 H new ATOM 0 HG2 LYS B 57 6.318 -16.999 -0.424 1.00 0.17 H new ATOM 0 HG3 LYS B 57 8.048 -17.165 -0.651 1.00 0.17 H new ATOM 0 HD2 LYS B 57 8.553 -16.083 1.395 1.00 0.47 H new ATOM 0 HD3 LYS B 57 6.975 -15.330 1.500 1.00 0.47 H new ATOM 0 HE2 LYS B 57 7.434 -17.351 3.041 1.00 0.23 H new ATOM 0 HE3 LYS B 57 5.912 -17.327 2.171 1.00 0.23 H new ATOM 0 HZ1 LYS B 57 7.361 -19.451 2.178 1.00 0.62 H new ATOM 0 HZ2 LYS B 57 6.587 -18.978 0.742 1.00 0.62 H new ATOM 0 HZ3 LYS B 57 8.242 -18.665 0.957 1.00 0.62 H new ATOM 2316 N LEU B 58 5.228 -13.478 -2.981 1.00 0.07 N ATOM 2317 CA LEU B 58 5.062 -12.518 -4.064 1.00 0.11 C ATOM 2318 C LEU B 58 4.109 -11.414 -3.629 1.00 0.11 C ATOM 2319 O LEU B 58 4.337 -10.233 -3.892 1.00 0.14 O ATOM 2320 CB LEU B 58 4.514 -13.215 -5.313 1.00 0.14 C ATOM 2321 CG LEU B 58 4.412 -12.340 -6.562 1.00 0.16 C ATOM 2322 CD1 LEU B 58 5.759 -12.258 -7.258 1.00 0.17 C ATOM 2323 CD2 LEU B 58 3.344 -12.881 -7.503 1.00 0.27 C ATOM 0 H LEU B 58 4.697 -14.340 -3.100 1.00 0.07 H new ATOM 0 HA LEU B 58 6.033 -12.084 -4.303 1.00 0.11 H new ATOM 0 HB2 LEU B 58 5.151 -14.070 -5.540 1.00 0.14 H new ATOM 0 HB3 LEU B 58 3.523 -13.608 -5.084 1.00 0.14 H new ATOM 0 HG LEU B 58 4.121 -11.333 -6.263 1.00 0.16 H new ATOM 0 HD11 LEU B 58 5.672 -11.632 -8.146 1.00 0.17 H new ATOM 0 HD12 LEU B 58 6.494 -11.825 -6.579 1.00 0.17 H new ATOM 0 HD13 LEU B 58 6.079 -13.258 -7.549 1.00 0.17 H new ATOM 0 HD21 LEU B 58 3.283 -12.247 -8.388 1.00 0.27 H new ATOM 0 HD22 LEU B 58 3.603 -13.897 -7.802 1.00 0.27 H new ATOM 0 HD23 LEU B 58 2.380 -12.887 -6.994 1.00 0.27 H new ATOM 2335 N ALA B 59 3.048 -11.819 -2.944 1.00 0.08 N ATOM 2336 CA ALA B 59 2.038 -10.891 -2.459 1.00 0.09 C ATOM 2337 C ALA B 59 2.625 -9.882 -1.476 1.00 0.14 C ATOM 2338 O ALA B 59 2.432 -8.674 -1.626 1.00 0.31 O ATOM 2339 CB ALA B 59 0.908 -11.662 -1.806 1.00 0.07 C ATOM 0 H ALA B 59 2.865 -12.795 -2.710 1.00 0.08 H new ATOM 0 HA ALA B 59 1.654 -10.332 -3.313 1.00 0.09 H new ATOM 0 HB1 ALA B 59 0.153 -10.964 -1.444 1.00 0.07 H new ATOM 0 HB2 ALA B 59 0.459 -12.336 -2.535 1.00 0.07 H new ATOM 0 HB3 ALA B 59 1.299 -12.241 -0.969 1.00 0.07 H new ATOM 2345 N VAL B 60 3.350 -10.381 -0.477 1.00 0.02 N ATOM 2346 CA VAL B 60 3.963 -9.515 0.525 1.00 0.05 C ATOM 2347 C VAL B 60 5.007 -8.601 -0.121 1.00 0.08 C ATOM 2348 O VAL B 60 5.260 -7.491 0.355 1.00 0.12 O ATOM 2349 CB VAL B 60 4.608 -10.336 1.668 1.00 0.07 C ATOM 2350 CG1 VAL B 60 5.830 -11.096 1.179 1.00 0.07 C ATOM 2351 CG2 VAL B 60 4.974 -9.438 2.839 1.00 0.13 C ATOM 0 H VAL B 60 3.526 -11.376 -0.341 1.00 0.02 H new ATOM 0 HA VAL B 60 3.172 -8.901 0.957 1.00 0.05 H new ATOM 0 HB VAL B 60 3.872 -11.064 2.008 1.00 0.07 H new ATOM 0 HG11 VAL B 60 6.260 -11.663 2.005 1.00 0.07 H new ATOM 0 HG12 VAL B 60 5.538 -11.780 0.382 1.00 0.07 H new ATOM 0 HG13 VAL B 60 6.569 -10.391 0.799 1.00 0.07 H new ATOM 0 HG21 VAL B 60 5.425 -10.037 3.630 1.00 0.13 H new ATOM 0 HG22 VAL B 60 5.684 -8.680 2.508 1.00 0.13 H new ATOM 0 HG23 VAL B 60 4.076 -8.952 3.220 1.00 0.13 H new ATOM 2361 N LEU B 61 5.588 -9.072 -1.219 1.00 0.08 N ATOM 2362 CA LEU B 61 6.586 -8.310 -1.950 1.00 0.11 C ATOM 2363 C LEU B 61 5.951 -7.055 -2.533 1.00 0.11 C ATOM 2364 O LEU B 61 6.432 -5.947 -2.314 1.00 0.13 O ATOM 2365 CB LEU B 61 7.190 -9.159 -3.069 1.00 0.13 C ATOM 2366 CG LEU B 61 8.363 -8.524 -3.814 1.00 0.17 C ATOM 2367 CD1 LEU B 61 9.652 -8.700 -3.026 1.00 0.17 C ATOM 2368 CD2 LEU B 61 8.495 -9.128 -5.203 1.00 0.17 C ATOM 0 H LEU B 61 5.381 -9.986 -1.622 1.00 0.08 H new ATOM 0 HA LEU B 61 7.382 -8.023 -1.263 1.00 0.11 H new ATOM 0 HB2 LEU B 61 7.522 -10.106 -2.644 1.00 0.13 H new ATOM 0 HB3 LEU B 61 6.406 -9.390 -3.790 1.00 0.13 H new ATOM 0 HG LEU B 61 8.172 -7.456 -3.920 1.00 0.17 H new ATOM 0 HD11 LEU B 61 10.477 -8.242 -3.571 1.00 0.17 H new ATOM 0 HD12 LEU B 61 9.551 -8.222 -2.052 1.00 0.17 H new ATOM 0 HD13 LEU B 61 9.853 -9.763 -2.890 1.00 0.17 H new ATOM 0 HD21 LEU B 61 9.335 -8.666 -5.722 1.00 0.17 H new ATOM 0 HD22 LEU B 61 8.667 -10.201 -5.118 1.00 0.17 H new ATOM 0 HD23 LEU B 61 7.578 -8.950 -5.766 1.00 0.17 H new ATOM 2380 N THR B 62 4.856 -7.235 -3.258 1.00 0.10 N ATOM 2381 CA THR B 62 4.156 -6.115 -3.866 1.00 0.09 C ATOM 2382 C THR B 62 3.537 -5.200 -2.808 1.00 0.09 C ATOM 2383 O THR B 62 3.421 -3.992 -3.013 1.00 0.08 O ATOM 2384 CB THR B 62 3.061 -6.602 -4.833 1.00 0.10 C ATOM 2385 OG1 THR B 62 2.450 -7.797 -4.324 1.00 0.18 O ATOM 2386 CG2 THR B 62 3.635 -6.875 -6.216 1.00 0.12 C ATOM 0 H THR B 62 4.434 -8.146 -3.439 1.00 0.10 H new ATOM 0 HA THR B 62 4.896 -5.545 -4.428 1.00 0.09 H new ATOM 0 HB THR B 62 2.311 -5.815 -4.917 1.00 0.10 H new ATOM 0 HG1 THR B 62 2.457 -7.776 -3.344 1.00 0.18 H new ATOM 0 HG21 THR B 62 2.840 -7.218 -6.879 1.00 0.12 H new ATOM 0 HG22 THR B 62 4.072 -5.960 -6.616 1.00 0.12 H new ATOM 0 HG23 THR B 62 4.405 -7.643 -6.145 1.00 0.12 H new ATOM 2394 N ALA B 63 3.169 -5.781 -1.668 1.00 0.10 N ATOM 2395 CA ALA B 63 2.559 -5.031 -0.575 1.00 0.11 C ATOM 2396 C ALA B 63 3.490 -3.938 -0.063 1.00 0.11 C ATOM 2397 O ALA B 63 3.091 -2.782 0.077 1.00 0.12 O ATOM 2398 CB ALA B 63 2.184 -5.975 0.560 1.00 0.10 C ATOM 0 H ALA B 63 3.284 -6.776 -1.478 1.00 0.10 H new ATOM 0 HA ALA B 63 1.658 -4.551 -0.957 1.00 0.11 H new ATOM 0 HB1 ALA B 63 1.729 -5.406 1.371 1.00 0.10 H new ATOM 0 HB2 ALA B 63 1.474 -6.718 0.196 1.00 0.10 H new ATOM 0 HB3 ALA B 63 3.079 -6.477 0.926 1.00 0.10 H new ATOM 2404 N VAL B 64 4.739 -4.306 0.196 1.00 0.09 N ATOM 2405 CA VAL B 64 5.721 -3.355 0.704 1.00 0.10 C ATOM 2406 C VAL B 64 6.113 -2.334 -0.369 1.00 0.12 C ATOM 2407 O VAL B 64 6.469 -1.197 -0.059 1.00 0.12 O ATOM 2408 CB VAL B 64 6.969 -4.081 1.263 1.00 0.10 C ATOM 2409 CG1 VAL B 64 7.785 -4.724 0.156 1.00 0.12 C ATOM 2410 CG2 VAL B 64 7.829 -3.132 2.083 1.00 0.11 C ATOM 0 H VAL B 64 5.095 -5.253 0.063 1.00 0.09 H new ATOM 0 HA VAL B 64 5.256 -2.811 1.526 1.00 0.10 H new ATOM 0 HB VAL B 64 6.616 -4.877 1.918 1.00 0.10 H new ATOM 0 HG11 VAL B 64 8.653 -5.224 0.587 1.00 0.12 H new ATOM 0 HG12 VAL B 64 7.171 -5.454 -0.372 1.00 0.12 H new ATOM 0 HG13 VAL B 64 8.118 -3.957 -0.543 1.00 0.12 H new ATOM 0 HG21 VAL B 64 8.699 -3.667 2.464 1.00 0.11 H new ATOM 0 HG22 VAL B 64 8.158 -2.304 1.455 1.00 0.11 H new ATOM 0 HG23 VAL B 64 7.247 -2.744 2.919 1.00 0.11 H new ATOM 2420 N GLN B 65 6.013 -2.733 -1.631 1.00 0.15 N ATOM 2421 CA GLN B 65 6.345 -1.842 -2.738 1.00 0.19 C ATOM 2422 C GLN B 65 5.285 -0.754 -2.867 1.00 0.13 C ATOM 2423 O GLN B 65 5.607 0.432 -2.969 1.00 0.16 O ATOM 2424 CB GLN B 65 6.472 -2.635 -4.038 1.00 0.34 C ATOM 2425 CG GLN B 65 7.609 -3.647 -4.006 1.00 0.57 C ATOM 2426 CD GLN B 65 7.510 -4.676 -5.109 1.00 0.79 C ATOM 2427 OE1 GLN B 65 6.429 -4.955 -5.623 1.00 0.98 O ATOM 2428 NE2 GLN B 65 8.640 -5.264 -5.462 1.00 0.80 N ATOM 0 H GLN B 65 5.706 -3.664 -1.914 1.00 0.15 H new ATOM 0 HA GLN B 65 7.305 -1.367 -2.536 1.00 0.19 H new ATOM 0 HB2 GLN B 65 5.534 -3.156 -4.233 1.00 0.34 H new ATOM 0 HB3 GLN B 65 6.631 -1.944 -4.865 1.00 0.34 H new ATOM 0 HG2 GLN B 65 8.560 -3.121 -4.091 1.00 0.57 H new ATOM 0 HG3 GLN B 65 7.610 -4.154 -3.041 1.00 0.57 H new ATOM 0 HE21 GLN B 65 9.515 -5.001 -5.009 1.00 0.80 H new ATOM 0 HE22 GLN B 65 8.637 -5.981 -6.188 1.00 0.80 H new ATOM 2437 N ILE B 66 4.020 -1.165 -2.847 1.00 0.15 N ATOM 2438 CA ILE B 66 2.901 -0.230 -2.922 1.00 0.16 C ATOM 2439 C ILE B 66 2.980 0.760 -1.760 1.00 0.11 C ATOM 2440 O ILE B 66 2.761 1.963 -1.925 1.00 0.27 O ATOM 2441 CB ILE B 66 1.549 -0.978 -2.871 1.00 0.27 C ATOM 2442 CG1 ILE B 66 1.362 -1.827 -4.131 1.00 0.64 C ATOM 2443 CG2 ILE B 66 0.393 0.001 -2.710 1.00 0.89 C ATOM 2444 CD1 ILE B 66 0.236 -2.839 -4.029 1.00 1.38 C ATOM 0 H ILE B 66 3.743 -2.144 -2.779 1.00 0.15 H new ATOM 0 HA ILE B 66 2.964 0.305 -3.870 1.00 0.16 H new ATOM 0 HB ILE B 66 1.556 -1.639 -2.004 1.00 0.27 H new ATOM 0 HG12 ILE B 66 1.169 -1.167 -4.977 1.00 0.64 H new ATOM 0 HG13 ILE B 66 2.292 -2.353 -4.344 1.00 0.64 H new ATOM 0 HG21 ILE B 66 -0.548 -0.549 -2.677 1.00 0.89 H new ATOM 0 HG22 ILE B 66 0.518 0.563 -1.784 1.00 0.89 H new ATOM 0 HG23 ILE B 66 0.380 0.691 -3.554 1.00 0.89 H new ATOM 0 HD11 ILE B 66 0.167 -3.401 -4.960 1.00 1.38 H new ATOM 0 HD12 ILE B 66 0.436 -3.524 -3.205 1.00 1.38 H new ATOM 0 HD13 ILE B 66 -0.705 -2.319 -3.848 1.00 1.38 H new ATOM 2456 N ALA B 67 3.313 0.235 -0.586 1.00 0.16 N ATOM 2457 CA ALA B 67 3.442 1.047 0.613 1.00 0.13 C ATOM 2458 C ALA B 67 4.495 2.134 0.426 1.00 0.06 C ATOM 2459 O ALA B 67 4.227 3.308 0.661 1.00 0.09 O ATOM 2460 CB ALA B 67 3.793 0.172 1.808 1.00 0.16 C ATOM 0 H ALA B 67 3.499 -0.757 -0.441 1.00 0.16 H new ATOM 0 HA ALA B 67 2.484 1.531 0.800 1.00 0.13 H new ATOM 0 HB1 ALA B 67 3.887 0.793 2.699 1.00 0.16 H new ATOM 0 HB2 ALA B 67 3.006 -0.567 1.962 1.00 0.16 H new ATOM 0 HB3 ALA B 67 4.738 -0.338 1.620 1.00 0.16 H new ATOM 2466 N SER B 68 5.681 1.735 -0.023 1.00 0.08 N ATOM 2467 CA SER B 68 6.787 2.670 -0.234 1.00 0.06 C ATOM 2468 C SER B 68 6.401 3.804 -1.187 1.00 0.16 C ATOM 2469 O SER B 68 6.723 4.969 -0.941 1.00 0.21 O ATOM 2470 CB SER B 68 7.998 1.924 -0.793 1.00 0.06 C ATOM 2471 OG SER B 68 8.331 0.810 0.017 1.00 0.28 O ATOM 0 H SER B 68 5.904 0.766 -0.249 1.00 0.08 H new ATOM 0 HA SER B 68 7.033 3.112 0.732 1.00 0.06 H new ATOM 0 HB2 SER B 68 7.785 1.589 -1.808 1.00 0.06 H new ATOM 0 HB3 SER B 68 8.850 2.601 -0.853 1.00 0.06 H new ATOM 0 HG SER B 68 7.716 0.072 -0.173 1.00 0.28 H new ATOM 2477 N GLU B 69 5.695 3.451 -2.257 1.00 0.26 N ATOM 2478 CA GLU B 69 5.276 4.424 -3.273 1.00 0.35 C ATOM 2479 C GLU B 69 4.458 5.567 -2.667 1.00 0.24 C ATOM 2480 O GLU B 69 4.741 6.742 -2.910 1.00 0.18 O ATOM 2481 CB GLU B 69 4.445 3.740 -4.374 1.00 0.52 C ATOM 2482 CG GLU B 69 4.842 4.135 -5.791 1.00 0.44 C ATOM 2483 CD GLU B 69 4.546 5.584 -6.112 1.00 1.20 C ATOM 2484 OE1 GLU B 69 3.386 5.907 -6.442 1.00 1.60 O1- ATOM 2485 OE2 GLU B 69 5.481 6.408 -6.062 1.00 1.71 O ATOM 0 H GLU B 69 5.397 2.494 -2.448 1.00 0.26 H new ATOM 0 HA GLU B 69 6.187 4.840 -3.704 1.00 0.35 H new ATOM 0 HB2 GLU B 69 4.542 2.659 -4.269 1.00 0.52 H new ATOM 0 HB3 GLU B 69 3.393 3.981 -4.223 1.00 0.52 H new ATOM 0 HG2 GLU B 69 5.907 3.950 -5.928 1.00 0.44 H new ATOM 0 HG3 GLU B 69 4.314 3.497 -6.500 1.00 0.44 H new ATOM 2492 N TYR B 70 3.468 5.226 -1.856 1.00 0.23 N ATOM 2493 CA TYR B 70 2.593 6.231 -1.267 1.00 0.15 C ATOM 2494 C TYR B 70 3.101 6.762 0.073 1.00 0.08 C ATOM 2495 O TYR B 70 2.763 7.878 0.464 1.00 0.12 O ATOM 2496 CB TYR B 70 1.189 5.665 -1.106 1.00 0.24 C ATOM 2497 CG TYR B 70 0.481 5.424 -2.420 1.00 0.32 C ATOM 2498 CD1 TYR B 70 -0.054 6.480 -3.142 1.00 0.57 C ATOM 2499 CD2 TYR B 70 0.346 4.141 -2.936 1.00 0.75 C ATOM 2500 CE1 TYR B 70 -0.704 6.268 -4.340 1.00 0.56 C ATOM 2501 CE2 TYR B 70 -0.303 3.920 -4.136 1.00 0.85 C ATOM 2502 CZ TYR B 70 -0.826 4.988 -4.832 1.00 0.50 C ATOM 2503 OH TYR B 70 -1.474 4.778 -6.026 1.00 0.59 O ATOM 0 H TYR B 70 3.250 4.265 -1.591 1.00 0.23 H new ATOM 0 HA TYR B 70 2.580 7.078 -1.953 1.00 0.15 H new ATOM 0 HB2 TYR B 70 1.245 4.726 -0.555 1.00 0.24 H new ATOM 0 HB3 TYR B 70 0.596 6.353 -0.504 1.00 0.24 H new ATOM 0 HD1 TYR B 70 0.040 7.486 -2.760 1.00 0.57 H new ATOM 0 HD2 TYR B 70 0.755 3.303 -2.391 1.00 0.75 H new ATOM 0 HE1 TYR B 70 -1.115 7.102 -4.889 1.00 0.56 H new ATOM 0 HE2 TYR B 70 -0.400 2.917 -4.525 1.00 0.85 H new ATOM 0 HH TYR B 70 -1.474 3.820 -6.234 1.00 0.59 H new ATOM 2513 N LEU B 71 3.910 5.981 0.775 1.00 0.09 N ATOM 2514 CA LEU B 71 4.432 6.417 2.070 1.00 0.17 C ATOM 2515 C LEU B 71 5.322 7.648 1.918 1.00 0.22 C ATOM 2516 O LEU B 71 5.345 8.517 2.787 1.00 0.26 O ATOM 2517 CB LEU B 71 5.190 5.293 2.784 1.00 0.24 C ATOM 2518 CG LEU B 71 4.357 4.531 3.833 1.00 0.27 C ATOM 2519 CD1 LEU B 71 4.965 3.173 4.173 1.00 0.32 C ATOM 2520 CD2 LEU B 71 4.202 5.359 5.102 1.00 0.32 C ATOM 0 H LEU B 71 4.218 5.055 0.479 1.00 0.09 H new ATOM 0 HA LEU B 71 3.575 6.685 2.687 1.00 0.17 H new ATOM 0 HB2 LEU B 71 5.550 4.584 2.039 1.00 0.24 H new ATOM 0 HB3 LEU B 71 6.068 5.716 3.272 1.00 0.24 H new ATOM 0 HG LEU B 71 3.375 4.357 3.393 1.00 0.27 H new ATOM 0 HD11 LEU B 71 4.344 2.672 4.916 1.00 0.32 H new ATOM 0 HD12 LEU B 71 5.017 2.562 3.272 1.00 0.32 H new ATOM 0 HD13 LEU B 71 5.969 3.314 4.574 1.00 0.32 H new ATOM 0 HD21 LEU B 71 3.611 4.803 5.829 1.00 0.32 H new ATOM 0 HD22 LEU B 71 5.186 5.571 5.520 1.00 0.32 H new ATOM 0 HD23 LEU B 71 3.698 6.296 4.866 1.00 0.32 H new ATOM 2532 N LYS B 72 6.047 7.727 0.811 1.00 0.23 N ATOM 2533 CA LYS B 72 6.905 8.878 0.564 1.00 0.27 C ATOM 2534 C LYS B 72 6.063 10.054 0.072 1.00 0.24 C ATOM 2535 O LYS B 72 6.435 11.217 0.236 1.00 0.29 O ATOM 2536 CB LYS B 72 7.996 8.540 -0.456 1.00 0.31 C ATOM 2537 CG LYS B 72 7.456 8.092 -1.806 1.00 0.38 C ATOM 2538 CD LYS B 72 8.406 8.437 -2.942 1.00 0.40 C ATOM 2539 CE LYS B 72 7.932 7.848 -4.261 1.00 0.52 C ATOM 2540 NZ LYS B 72 6.565 8.311 -4.617 1.00 0.58 N1+ ATOM 0 H LYS B 72 6.059 7.018 0.078 1.00 0.23 H new ATOM 0 HA LYS B 72 7.393 9.153 1.499 1.00 0.27 H new ATOM 0 HB2 LYS B 72 8.629 9.415 -0.601 1.00 0.31 H new ATOM 0 HB3 LYS B 72 8.630 7.752 -0.049 1.00 0.31 H new ATOM 0 HG2 LYS B 72 7.286 7.015 -1.790 1.00 0.38 H new ATOM 0 HG3 LYS B 72 6.490 8.564 -1.985 1.00 0.38 H new ATOM 0 HD2 LYS B 72 8.487 9.520 -3.034 1.00 0.40 H new ATOM 0 HD3 LYS B 72 9.403 8.061 -2.711 1.00 0.40 H new ATOM 0 HE2 LYS B 72 8.627 8.126 -5.053 1.00 0.52 H new ATOM 0 HE3 LYS B 72 7.941 6.760 -4.197 1.00 0.52 H new ATOM 0 HZ1 LYS B 72 6.300 7.927 -5.546 1.00 0.58 H new ATOM 0 HZ2 LYS B 72 5.889 7.980 -3.900 1.00 0.58 H new ATOM 0 HZ3 LYS B 72 6.549 9.350 -4.654 1.00 0.58 H new ATOM 2554 N LEU B 73 4.909 9.730 -0.507 1.00 0.17 N ATOM 2555 CA LEU B 73 3.992 10.733 -1.027 1.00 0.14 C ATOM 2556 C LEU B 73 3.332 11.477 0.129 1.00 0.11 C ATOM 2557 O LEU B 73 3.284 12.707 0.139 1.00 0.09 O ATOM 2558 CB LEU B 73 2.935 10.064 -1.931 1.00 0.13 C ATOM 2559 CG LEU B 73 2.115 10.980 -2.865 1.00 0.12 C ATOM 2560 CD1 LEU B 73 1.023 11.715 -2.103 1.00 0.08 C ATOM 2561 CD2 LEU B 73 3.007 11.972 -3.600 1.00 0.15 C ATOM 0 H LEU B 73 4.587 8.769 -0.627 1.00 0.17 H new ATOM 0 HA LEU B 73 4.546 11.454 -1.629 1.00 0.14 H new ATOM 0 HB2 LEU B 73 3.441 9.321 -2.547 1.00 0.13 H new ATOM 0 HB3 LEU B 73 2.237 9.525 -1.291 1.00 0.13 H new ATOM 0 HG LEU B 73 1.641 10.337 -3.606 1.00 0.12 H new ATOM 0 HD11 LEU B 73 0.465 12.351 -2.790 1.00 0.08 H new ATOM 0 HD12 LEU B 73 0.347 10.991 -1.648 1.00 0.08 H new ATOM 0 HD13 LEU B 73 1.474 12.330 -1.324 1.00 0.08 H new ATOM 0 HD21 LEU B 73 2.396 12.600 -4.248 1.00 0.15 H new ATOM 0 HD22 LEU B 73 3.529 12.597 -2.876 1.00 0.15 H new ATOM 0 HD23 LEU B 73 3.735 11.429 -4.203 1.00 0.15 H new ATOM 2573 N LYS B 74 2.845 10.727 1.116 1.00 0.11 N ATOM 2574 CA LYS B 74 2.194 11.332 2.271 1.00 0.10 C ATOM 2575 C LYS B 74 3.195 12.149 3.085 1.00 0.13 C ATOM 2576 O LYS B 74 2.825 13.124 3.737 1.00 0.13 O ATOM 2577 CB LYS B 74 1.499 10.272 3.143 1.00 0.12 C ATOM 2578 CG LYS B 74 2.438 9.291 3.838 1.00 0.20 C ATOM 2579 CD LYS B 74 2.847 9.772 5.226 1.00 0.28 C ATOM 2580 CE LYS B 74 1.775 9.492 6.269 1.00 0.32 C ATOM 2581 NZ LYS B 74 2.136 10.041 7.606 1.00 0.43 N1+ ATOM 0 H LYS B 74 2.889 9.708 1.138 1.00 0.11 H new ATOM 0 HA LYS B 74 1.421 12.008 1.906 1.00 0.10 H new ATOM 0 HB2 LYS B 74 0.904 10.781 3.901 1.00 0.12 H new ATOM 0 HB3 LYS B 74 0.806 9.708 2.519 1.00 0.12 H new ATOM 0 HG2 LYS B 74 1.950 8.320 3.921 1.00 0.20 H new ATOM 0 HG3 LYS B 74 3.329 9.149 3.227 1.00 0.20 H new ATOM 0 HD2 LYS B 74 3.775 9.281 5.520 1.00 0.28 H new ATOM 0 HD3 LYS B 74 3.049 10.843 5.193 1.00 0.28 H new ATOM 0 HE2 LYS B 74 0.830 9.926 5.942 1.00 0.32 H new ATOM 0 HE3 LYS B 74 1.620 8.416 6.349 1.00 0.32 H new ATOM 0 HZ1 LYS B 74 1.356 9.872 8.273 1.00 0.43 H new ATOM 0 HZ2 LYS B 74 2.996 9.571 7.953 1.00 0.43 H new ATOM 0 HZ3 LYS B 74 2.308 11.064 7.526 1.00 0.43 H new ATOM 2595 N GLU B 75 4.463 11.749 3.031 1.00 0.17 N ATOM 2596 CA GLU B 75 5.516 12.453 3.744 1.00 0.20 C ATOM 2597 C GLU B 75 5.699 13.839 3.141 1.00 0.16 C ATOM 2598 O GLU B 75 5.708 14.849 3.851 1.00 0.20 O ATOM 2599 CB GLU B 75 6.826 11.671 3.661 1.00 0.27 C ATOM 2600 CG GLU B 75 7.877 12.142 4.648 1.00 0.36 C ATOM 2601 CD GLU B 75 7.746 11.470 5.999 1.00 0.45 C ATOM 2602 OE1 GLU B 75 6.768 11.759 6.725 1.00 0.44 O1- ATOM 2603 OE2 GLU B 75 8.621 10.648 6.340 1.00 0.55 O ATOM 0 H GLU B 75 4.783 10.940 2.499 1.00 0.17 H new ATOM 0 HA GLU B 75 5.234 12.549 4.793 1.00 0.20 H new ATOM 0 HB2 GLU B 75 6.621 10.615 3.837 1.00 0.27 H new ATOM 0 HB3 GLU B 75 7.226 11.754 2.650 1.00 0.27 H new ATOM 0 HG2 GLU B 75 8.868 11.942 4.241 1.00 0.36 H new ATOM 0 HG3 GLU B 75 7.795 13.222 4.773 1.00 0.36 H new ATOM 2610 N GLU B 76 5.820 13.875 1.818 1.00 0.13 N ATOM 2611 CA GLU B 76 5.983 15.123 1.086 1.00 0.11 C ATOM 2612 C GLU B 76 4.746 15.994 1.268 1.00 0.08 C ATOM 2613 O GLU B 76 4.837 17.222 1.345 1.00 0.08 O ATOM 2614 CB GLU B 76 6.213 14.829 -0.401 1.00 0.17 C ATOM 2615 CG GLU B 76 6.500 16.063 -1.239 1.00 0.18 C ATOM 2616 CD GLU B 76 7.894 16.623 -1.017 1.00 0.21 C ATOM 2617 OE1 GLU B 76 8.605 16.147 -0.106 1.00 0.34 O1- ATOM 2618 OE2 GLU B 76 8.286 17.536 -1.768 1.00 0.20 O ATOM 0 H GLU B 76 5.808 13.044 1.227 1.00 0.13 H new ATOM 0 HA GLU B 76 6.849 15.658 1.475 1.00 0.11 H new ATOM 0 HB2 GLU B 76 7.047 14.134 -0.498 1.00 0.17 H new ATOM 0 HB3 GLU B 76 5.332 14.327 -0.802 1.00 0.17 H new ATOM 0 HG2 GLU B 76 6.378 15.815 -2.293 1.00 0.18 H new ATOM 0 HG3 GLU B 76 5.764 16.833 -1.005 1.00 0.18 H new ATOM 2625 N TYR B 77 3.595 15.332 1.359 1.00 0.07 N ATOM 2626 CA TYR B 77 2.311 15.999 1.548 1.00 0.11 C ATOM 2627 C TYR B 77 2.334 16.879 2.796 1.00 0.13 C ATOM 2628 O TYR B 77 1.753 17.964 2.817 1.00 0.22 O ATOM 2629 CB TYR B 77 1.209 14.944 1.666 1.00 0.13 C ATOM 2630 CG TYR B 77 -0.176 15.507 1.897 1.00 0.15 C ATOM 2631 CD1 TYR B 77 -0.854 16.163 0.883 1.00 0.22 C ATOM 2632 CD2 TYR B 77 -0.808 15.376 3.129 1.00 0.12 C ATOM 2633 CE1 TYR B 77 -2.122 16.670 1.080 1.00 0.25 C ATOM 2634 CE2 TYR B 77 -2.076 15.883 3.336 1.00 0.14 C ATOM 2635 CZ TYR B 77 -2.729 16.529 2.309 1.00 0.20 C ATOM 2636 OH TYR B 77 -3.993 17.030 2.513 1.00 0.23 O ATOM 0 H TYR B 77 3.527 14.316 1.304 1.00 0.07 H new ATOM 0 HA TYR B 77 2.115 16.640 0.689 1.00 0.11 H new ATOM 0 HB2 TYR B 77 1.197 14.346 0.755 1.00 0.13 H new ATOM 0 HB3 TYR B 77 1.455 14.270 2.487 1.00 0.13 H new ATOM 0 HD1 TYR B 77 -0.381 16.280 -0.081 1.00 0.22 H new ATOM 0 HD2 TYR B 77 -0.299 14.870 3.936 1.00 0.12 H new ATOM 0 HE1 TYR B 77 -2.636 17.175 0.275 1.00 0.25 H new ATOM 0 HE2 TYR B 77 -2.553 15.774 4.299 1.00 0.14 H new ATOM 0 HH TYR B 77 -4.648 16.305 2.439 1.00 0.23 H new ATOM 2646 N GLN B 78 3.016 16.406 3.829 1.00 0.22 N ATOM 2647 CA GLN B 78 3.118 17.145 5.080 1.00 0.30 C ATOM 2648 C GLN B 78 4.207 18.209 4.980 1.00 0.37 C ATOM 2649 O GLN B 78 4.043 19.330 5.453 1.00 0.84 O ATOM 2650 CB GLN B 78 3.440 16.194 6.240 1.00 0.28 C ATOM 2651 CG GLN B 78 2.551 14.950 6.297 1.00 0.17 C ATOM 2652 CD GLN B 78 3.271 13.719 6.837 1.00 0.26 C ATOM 2653 OE1 GLN B 78 2.652 12.831 7.431 1.00 0.53 O ATOM 2654 NE2 GLN B 78 4.579 13.648 6.627 1.00 0.24 N ATOM 0 H GLN B 78 3.508 15.512 3.826 1.00 0.22 H new ATOM 0 HA GLN B 78 2.159 17.628 5.269 1.00 0.30 H new ATOM 0 HB2 GLN B 78 4.481 15.880 6.159 1.00 0.28 H new ATOM 0 HB3 GLN B 78 3.344 16.739 7.179 1.00 0.28 H new ATOM 0 HG2 GLN B 78 1.684 15.160 6.924 1.00 0.17 H new ATOM 0 HG3 GLN B 78 2.176 14.734 5.297 1.00 0.17 H new ATOM 0 HE21 GLN B 78 5.058 14.401 6.132 1.00 0.24 H new ATOM 0 HE22 GLN B 78 5.106 12.841 6.960 1.00 0.24 H new ATOM 2663 N ARG B 79 5.300 17.842 4.330 1.00 0.28 N ATOM 2664 CA ARG B 79 6.459 18.714 4.161 1.00 0.30 C ATOM 2665 C ARG B 79 6.128 20.030 3.449 1.00 0.27 C ATOM 2666 O ARG B 79 6.364 21.111 3.994 1.00 0.23 O ATOM 2667 CB ARG B 79 7.544 17.958 3.389 1.00 0.34 C ATOM 2668 CG ARG B 79 8.768 18.791 3.043 1.00 0.63 C ATOM 2669 CD ARG B 79 9.755 17.985 2.213 1.00 0.85 C ATOM 2670 NE ARG B 79 10.842 18.803 1.673 1.00 1.45 N ATOM 2671 CZ ARG B 79 11.405 18.595 0.483 1.00 1.28 C ATOM 2672 NH1 ARG B 79 10.950 17.636 -0.319 1.00 0.73 N1+ ATOM 2673 NH2 ARG B 79 12.411 19.364 0.087 1.00 2.05 N ATOM 0 H ARG B 79 5.412 16.924 3.900 1.00 0.28 H new ATOM 0 HA ARG B 79 6.810 18.985 5.157 1.00 0.30 H new ATOM 0 HB2 ARG B 79 7.860 17.098 3.980 1.00 0.34 H new ATOM 0 HB3 ARG B 79 7.112 17.569 2.467 1.00 0.34 H new ATOM 0 HG2 ARG B 79 8.464 19.680 2.491 1.00 0.63 H new ATOM 0 HG3 ARG B 79 9.251 19.133 3.958 1.00 0.63 H new ATOM 0 HD2 ARG B 79 10.176 17.190 2.828 1.00 0.85 H new ATOM 0 HD3 ARG B 79 9.224 17.505 1.391 1.00 0.85 H new ATOM 0 HE ARG B 79 11.189 19.577 2.240 1.00 1.45 H new ATOM 0 HH11 ARG B 79 10.166 17.054 -0.024 1.00 0.73 H new ATOM 0 HH12 ARG B 79 11.386 17.482 -1.228 1.00 0.73 H new ATOM 0 HH21 ARG B 79 12.751 20.111 0.693 1.00 2.05 H new ATOM 0 HH22 ARG B 79 12.845 19.208 -0.823 1.00 2.05 H new ATOM 2687 N LEU B 80 5.568 19.945 2.248 1.00 0.30 N ATOM 2688 CA LEU B 80 5.260 21.145 1.471 1.00 0.28 C ATOM 2689 C LEU B 80 4.098 21.940 2.064 1.00 0.23 C ATOM 2690 O LEU B 80 3.982 23.142 1.829 1.00 0.28 O ATOM 2691 CB LEU B 80 4.968 20.783 0.007 1.00 0.31 C ATOM 2692 CG LEU B 80 3.484 20.698 -0.380 1.00 0.48 C ATOM 2693 CD1 LEU B 80 3.285 21.033 -1.852 1.00 0.79 C ATOM 2694 CD2 LEU B 80 2.932 19.314 -0.074 1.00 0.44 C ATOM 0 H LEU B 80 5.319 19.067 1.792 1.00 0.30 H new ATOM 0 HA LEU B 80 6.142 21.784 1.511 1.00 0.28 H new ATOM 0 HB2 LEU B 80 5.449 21.523 -0.633 1.00 0.31 H new ATOM 0 HB3 LEU B 80 5.436 19.823 -0.210 1.00 0.31 H new ATOM 0 HG LEU B 80 2.938 21.431 0.213 1.00 0.48 H new ATOM 0 HD11 LEU B 80 2.226 20.966 -2.101 1.00 0.79 H new ATOM 0 HD12 LEU B 80 3.639 22.045 -2.046 1.00 0.79 H new ATOM 0 HD13 LEU B 80 3.847 20.328 -2.465 1.00 0.79 H new ATOM 0 HD21 LEU B 80 1.880 19.272 -0.354 1.00 0.44 H new ATOM 0 HD22 LEU B 80 3.489 18.567 -0.640 1.00 0.44 H new ATOM 0 HD23 LEU B 80 3.032 19.110 0.992 1.00 0.44 H new ATOM 2706 N ARG B 81 3.247 21.279 2.837 1.00 0.20 N ATOM 2707 CA ARG B 81 2.099 21.952 3.432 1.00 0.15 C ATOM 2708 C ARG B 81 2.463 22.629 4.746 1.00 0.15 C ATOM 2709 O ARG B 81 1.934 23.693 5.068 1.00 0.43 O ATOM 2710 CB ARG B 81 0.946 20.973 3.653 1.00 0.22 C ATOM 2711 CG ARG B 81 0.132 20.705 2.395 1.00 0.32 C ATOM 2712 CD ARG B 81 -1.230 20.106 2.719 1.00 0.65 C ATOM 2713 NE ARG B 81 -1.877 20.770 3.854 1.00 1.05 N ATOM 2714 CZ ARG B 81 -2.511 21.942 3.783 1.00 1.70 C ATOM 2715 NH1 ARG B 81 -2.584 22.599 2.632 1.00 2.04 N1+ ATOM 2716 NH2 ARG B 81 -3.082 22.452 4.866 1.00 2.12 N ATOM 0 H ARG B 81 3.327 20.288 3.065 1.00 0.20 H new ATOM 0 HA ARG B 81 1.780 22.722 2.730 1.00 0.15 H new ATOM 0 HB2 ARG B 81 1.346 20.030 4.026 1.00 0.22 H new ATOM 0 HB3 ARG B 81 0.287 21.368 4.426 1.00 0.22 H new ATOM 0 HG2 ARG B 81 -0.002 21.636 1.844 1.00 0.32 H new ATOM 0 HG3 ARG B 81 0.682 20.026 1.744 1.00 0.32 H new ATOM 0 HD2 ARG B 81 -1.874 20.180 1.843 1.00 0.65 H new ATOM 0 HD3 ARG B 81 -1.114 19.045 2.940 1.00 0.65 H new ATOM 0 HE ARG B 81 -1.840 20.304 4.761 1.00 1.05 H new ATOM 0 HH11 ARG B 81 -2.154 22.208 1.794 1.00 2.04 H new ATOM 0 HH12 ARG B 81 -3.070 23.494 2.586 1.00 2.04 H new ATOM 0 HH21 ARG B 81 -3.036 21.948 5.752 1.00 2.12 H new ATOM 0 HH22 ARG B 81 -3.567 23.348 4.813 1.00 2.12 H new