USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=35 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+ 174:sc= 1.25 (180deg=0) USER MOD Set 1.2: B 78 GLN : amide:sc= 1.06 K(o=2.3,f=-5!) USER MOD Set 2.1: B 42 LYS NZ :NH3+ -163:sc= 1.92 (180deg=-0.0253) USER MOD Set 2.2: B 65 GLN : amide:sc= -0.0842 K(o=1.8,f=-7.7!) USER MOD Set 3.1: B 28 SER OG : rot -110:sc= 0.156 USER MOD Set 3.2: B 31 HIS : no HD1:sc= 1.37 K(o=1.5,f=-6.1!) USER MOD Set 4.1: A 52 MET CE :methyl -137:sc= 0 (180deg=-0.0447) USER MOD Set 4.2: B 19 GLN : amide:sc= 0.045 X(o=0.045,f=-0.28) USER MOD Set 5.1: B 13 SER OG : rot 180:sc= 0.85 USER MOD Set 5.2: B 22 THR OG1 : rot -76:sc= 0.98 USER MOD Set 6.1: A 42 LYS NZ :NH3+ -147:sc= 1.2 (180deg=-0.349) USER MOD Set 6.2: A 65 GLN : amide:sc= 0.261 K(o=1.5,f=-10!) USER MOD Set 7.1: A 17 TYR OH : rot 180:sc= 0 USER MOD Set 7.2: A 47 SER OG : rot 66:sc= 1.23 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0231 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.074) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.325 USER MOD Single : A 31 HIS : no HE2:sc= -0.395 K(o=0.84,f=-8!) USER MOD Single : A 43 MET CE :methyl -161:sc= -0.266 (180deg=-0.828) USER MOD Single : A 44 HIS : no HE2:sc= 1.04 K(o=1,f=-5!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0.147 K(o=0.15,f=-0.66) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0383 USER MOD Single : A 68 SER OG : rot -84:sc= 1.33 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -172:sc= 0.0484 (180deg=-0.0712!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc=-0.00587 USER MOD Single : A 78 GLN : amide:sc= 1.17 K(o=1.2,f=-0.83) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 17 TYR OH : rot 41:sc= 1.26 USER MOD Single : B 21 TYR OH : rot 180:sc= -0.595 USER MOD Single : B 43 MET CE :methyl -124:sc= -0.398 (180deg=-1.21) USER MOD Single : B 44 HIS : no HE2:sc= 0.447 K(o=0.45,f=-1.6) USER MOD Single : B 47 SER OG : rot -93:sc= 0.213 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 52 MET CE :methyl 176:sc= 0 (180deg=-0.0212) USER MOD Single : B 57 LYS NZ :NH3+ -155:sc= 1.25 (180deg=0.857) USER MOD Single : B 62 THR OG1 : rot 29:sc= 0.885 USER MOD Single : B 68 SER OG : rot -86:sc= 1.28 USER MOD Single : B 70 TYR OH : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ -153:sc= 1.25 (180deg=0.723) USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 138 N THR A 10 17.821 3.383 -5.233 1.00 0.30 N ATOM 139 CA THR A 10 18.658 2.298 -4.746 1.00 0.36 C ATOM 140 C THR A 10 17.792 1.155 -4.218 1.00 0.30 C ATOM 141 O THR A 10 16.579 1.311 -4.059 1.00 0.27 O ATOM 142 CB THR A 10 19.624 2.784 -3.640 1.00 0.49 C ATOM 143 OG1 THR A 10 20.640 1.801 -3.408 1.00 0.62 O ATOM 144 CG2 THR A 10 18.880 3.069 -2.341 1.00 0.60 C ATOM 0 HA THR A 10 19.255 1.938 -5.583 1.00 0.36 H new ATOM 0 HB THR A 10 20.084 3.711 -3.981 1.00 0.49 H new ATOM 0 HG1 THR A 10 21.248 2.118 -2.708 1.00 0.62 H new ATOM 0 HG21 THR A 10 19.587 3.409 -1.584 1.00 0.60 H new ATOM 0 HG22 THR A 10 18.132 3.843 -2.512 1.00 0.60 H new ATOM 0 HG23 THR A 10 18.388 2.159 -1.996 1.00 0.60 H new ATOM 152 N ARG A 11 18.414 0.016 -3.949 1.00 0.30 N ATOM 153 CA ARG A 11 17.700 -1.148 -3.446 1.00 0.26 C ATOM 154 C ARG A 11 18.018 -1.391 -1.979 1.00 0.21 C ATOM 155 O ARG A 11 19.143 -1.165 -1.529 1.00 0.22 O ATOM 156 CB ARG A 11 18.056 -2.395 -4.254 1.00 0.32 C ATOM 157 CG ARG A 11 17.496 -2.396 -5.664 1.00 0.40 C ATOM 158 CD ARG A 11 17.817 -3.696 -6.378 1.00 0.55 C ATOM 159 NE ARG A 11 17.197 -3.761 -7.700 1.00 0.68 N ATOM 160 CZ ARG A 11 17.236 -4.830 -8.493 1.00 1.07 C ATOM 161 NH1 ARG A 11 17.866 -5.931 -8.102 1.00 1.36 N1+ ATOM 162 NH2 ARG A 11 16.641 -4.800 -9.681 1.00 1.17 N ATOM 0 H ARG A 11 19.417 -0.127 -4.072 1.00 0.30 H new ATOM 0 HA ARG A 11 16.634 -0.947 -3.549 1.00 0.26 H new ATOM 0 HB2 ARG A 11 19.141 -2.485 -4.305 1.00 0.32 H new ATOM 0 HB3 ARG A 11 17.687 -3.275 -3.727 1.00 0.32 H new ATOM 0 HG2 ARG A 11 16.416 -2.253 -5.630 1.00 0.40 H new ATOM 0 HG3 ARG A 11 17.911 -1.558 -6.224 1.00 0.40 H new ATOM 0 HD2 ARG A 11 18.898 -3.797 -6.479 1.00 0.55 H new ATOM 0 HD3 ARG A 11 17.473 -4.536 -5.774 1.00 0.55 H new ATOM 0 HE ARG A 11 16.703 -2.935 -8.037 1.00 0.68 H new ATOM 0 HH11 ARG A 11 18.323 -5.961 -7.191 1.00 1.36 H new ATOM 0 HH12 ARG A 11 17.893 -6.747 -8.713 1.00 1.36 H new ATOM 0 HH21 ARG A 11 16.154 -3.957 -9.986 1.00 1.17 H new ATOM 0 HH22 ARG A 11 16.672 -5.619 -10.288 1.00 1.17 H new ATOM 176 N VAL A 12 17.023 -1.844 -1.238 1.00 0.16 N ATOM 177 CA VAL A 12 17.191 -2.131 0.175 1.00 0.12 C ATOM 178 C VAL A 12 16.624 -3.510 0.518 1.00 0.14 C ATOM 179 O VAL A 12 15.594 -3.926 -0.017 1.00 0.18 O ATOM 180 CB VAL A 12 16.517 -1.047 1.047 1.00 0.09 C ATOM 181 CG1 VAL A 12 15.012 -1.022 0.825 1.00 0.08 C ATOM 182 CG2 VAL A 12 16.844 -1.252 2.519 1.00 0.12 C ATOM 0 H VAL A 12 16.084 -2.022 -1.594 1.00 0.16 H new ATOM 0 HA VAL A 12 18.260 -2.128 0.390 1.00 0.12 H new ATOM 0 HB VAL A 12 16.916 -0.079 0.743 1.00 0.09 H new ATOM 0 HG11 VAL A 12 14.565 -0.250 1.451 1.00 0.08 H new ATOM 0 HG12 VAL A 12 14.802 -0.806 -0.223 1.00 0.08 H new ATOM 0 HG13 VAL A 12 14.589 -1.992 1.087 1.00 0.08 H new ATOM 0 HG21 VAL A 12 16.358 -0.477 3.111 1.00 0.12 H new ATOM 0 HG22 VAL A 12 16.486 -2.231 2.838 1.00 0.12 H new ATOM 0 HG23 VAL A 12 17.923 -1.196 2.663 1.00 0.12 H new ATOM 192 N SER A 13 17.325 -4.225 1.385 1.00 0.14 N ATOM 193 CA SER A 13 16.895 -5.544 1.814 1.00 0.17 C ATOM 194 C SER A 13 16.307 -5.459 3.222 1.00 0.12 C ATOM 195 O SER A 13 17.013 -5.130 4.178 1.00 0.15 O ATOM 196 CB SER A 13 18.081 -6.514 1.783 1.00 0.25 C ATOM 197 OG SER A 13 18.942 -6.235 0.686 1.00 0.56 O ATOM 0 H SER A 13 18.199 -3.910 1.806 1.00 0.14 H new ATOM 0 HA SER A 13 16.127 -5.915 1.135 1.00 0.17 H new ATOM 0 HB2 SER A 13 18.640 -6.440 2.716 1.00 0.25 H new ATOM 0 HB3 SER A 13 17.715 -7.538 1.711 1.00 0.25 H new ATOM 0 HG SER A 13 19.691 -6.866 0.690 1.00 0.56 H new ATOM 203 N VAL A 14 15.019 -5.748 3.352 1.00 0.06 N ATOM 204 CA VAL A 14 14.354 -5.676 4.649 1.00 0.08 C ATOM 205 C VAL A 14 13.725 -7.010 5.025 1.00 0.08 C ATOM 206 O VAL A 14 13.464 -7.844 4.163 1.00 0.12 O ATOM 207 CB VAL A 14 13.266 -4.582 4.685 1.00 0.09 C ATOM 208 CG1 VAL A 14 13.895 -3.204 4.823 1.00 0.10 C ATOM 209 CG2 VAL A 14 12.372 -4.649 3.451 1.00 0.09 C ATOM 0 H VAL A 14 14.415 -6.033 2.581 1.00 0.06 H new ATOM 0 HA VAL A 14 15.129 -5.422 5.372 1.00 0.08 H new ATOM 0 HB VAL A 14 12.639 -4.762 5.558 1.00 0.09 H new ATOM 0 HG11 VAL A 14 13.111 -2.447 4.846 1.00 0.10 H new ATOM 0 HG12 VAL A 14 14.472 -3.158 5.747 1.00 0.10 H new ATOM 0 HG13 VAL A 14 14.554 -3.018 3.975 1.00 0.10 H new ATOM 0 HG21 VAL A 14 11.616 -3.866 3.506 1.00 0.09 H new ATOM 0 HG22 VAL A 14 12.977 -4.507 2.555 1.00 0.09 H new ATOM 0 HG23 VAL A 14 11.883 -5.622 3.408 1.00 0.09 H new ATOM 219 N ARG A 15 13.476 -7.195 6.314 1.00 0.05 N ATOM 220 CA ARG A 15 12.887 -8.429 6.815 1.00 0.05 C ATOM 221 C ARG A 15 11.428 -8.225 7.209 1.00 0.04 C ATOM 222 O ARG A 15 11.114 -7.359 8.028 1.00 0.07 O ATOM 223 CB ARG A 15 13.677 -8.931 8.025 1.00 0.06 C ATOM 224 CG ARG A 15 13.177 -10.263 8.573 1.00 0.06 C ATOM 225 CD ARG A 15 12.781 -10.169 10.042 1.00 0.11 C ATOM 226 NE ARG A 15 11.490 -9.502 10.232 1.00 0.16 N ATOM 227 CZ ARG A 15 11.031 -9.106 11.418 1.00 0.20 C ATOM 228 NH1 ARG A 15 11.786 -9.246 12.498 1.00 0.20 N1+ ATOM 229 NH2 ARG A 15 9.825 -8.563 11.525 1.00 0.26 N ATOM 0 H ARG A 15 13.674 -6.502 7.035 1.00 0.05 H new ATOM 0 HA ARG A 15 12.928 -9.169 6.016 1.00 0.05 H new ATOM 0 HB2 ARG A 15 14.726 -9.034 7.746 1.00 0.06 H new ATOM 0 HB3 ARG A 15 13.629 -8.182 8.815 1.00 0.06 H new ATOM 0 HG2 ARG A 15 12.320 -10.596 7.988 1.00 0.06 H new ATOM 0 HG3 ARG A 15 13.955 -11.017 8.456 1.00 0.06 H new ATOM 0 HD2 ARG A 15 12.735 -11.171 10.468 1.00 0.11 H new ATOM 0 HD3 ARG A 15 13.551 -9.626 10.589 1.00 0.11 H new ATOM 0 HE ARG A 15 10.911 -9.331 9.410 1.00 0.16 H new ATOM 0 HH11 ARG A 15 12.717 -9.656 12.420 1.00 0.20 H new ATOM 0 HH12 ARG A 15 11.437 -8.943 13.407 1.00 0.20 H new ATOM 0 HH21 ARG A 15 9.243 -8.447 10.696 1.00 0.26 H new ATOM 0 HH22 ARG A 15 9.480 -8.262 12.437 1.00 0.26 H new ATOM 243 N ILE A 16 10.548 -9.034 6.637 1.00 0.03 N ATOM 244 CA ILE A 16 9.126 -8.971 6.934 1.00 0.04 C ATOM 245 C ILE A 16 8.596 -10.383 7.188 1.00 0.04 C ATOM 246 O ILE A 16 8.793 -11.283 6.366 1.00 0.04 O ATOM 247 CB ILE A 16 8.331 -8.310 5.782 1.00 0.05 C ATOM 248 CG1 ILE A 16 8.710 -6.834 5.647 1.00 0.08 C ATOM 249 CG2 ILE A 16 6.832 -8.449 6.010 1.00 0.06 C ATOM 250 CD1 ILE A 16 9.230 -6.465 4.275 1.00 0.07 C ATOM 0 H ILE A 16 10.800 -9.750 5.956 1.00 0.03 H new ATOM 0 HA ILE A 16 8.992 -8.357 7.825 1.00 0.04 H new ATOM 0 HB ILE A 16 8.588 -8.823 4.855 1.00 0.05 H new ATOM 0 HG12 ILE A 16 7.837 -6.221 5.872 1.00 0.08 H new ATOM 0 HG13 ILE A 16 9.469 -6.593 6.391 1.00 0.08 H new ATOM 0 HG21 ILE A 16 6.294 -7.977 5.188 1.00 0.06 H new ATOM 0 HG22 ILE A 16 6.568 -9.505 6.058 1.00 0.06 H new ATOM 0 HG23 ILE A 16 6.560 -7.964 6.948 1.00 0.06 H new ATOM 0 HD11 ILE A 16 9.478 -5.404 4.253 1.00 0.07 H new ATOM 0 HD12 ILE A 16 10.122 -7.051 4.054 1.00 0.07 H new ATOM 0 HD13 ILE A 16 8.465 -6.674 3.528 1.00 0.07 H new ATOM 262 N TYR A 17 7.968 -10.574 8.347 1.00 0.08 N ATOM 263 CA TYR A 17 7.403 -11.868 8.742 1.00 0.11 C ATOM 264 C TYR A 17 8.496 -12.930 8.892 1.00 0.19 C ATOM 265 O TYR A 17 8.213 -14.126 8.940 1.00 0.56 O ATOM 266 CB TYR A 17 6.352 -12.333 7.724 1.00 0.04 C ATOM 267 CG TYR A 17 5.218 -13.137 8.324 1.00 0.09 C ATOM 268 CD1 TYR A 17 4.461 -12.631 9.372 1.00 0.18 C ATOM 269 CD2 TYR A 17 4.897 -14.397 7.831 1.00 0.08 C ATOM 270 CE1 TYR A 17 3.418 -13.357 9.913 1.00 0.23 C ATOM 271 CE2 TYR A 17 3.856 -15.129 8.368 1.00 0.12 C ATOM 272 CZ TYR A 17 3.120 -14.605 9.407 1.00 0.20 C ATOM 273 OH TYR A 17 2.082 -15.333 9.943 1.00 0.25 O ATOM 0 H TYR A 17 7.835 -9.838 9.040 1.00 0.08 H new ATOM 0 HA TYR A 17 6.922 -11.736 9.711 1.00 0.11 H new ATOM 0 HB2 TYR A 17 5.937 -11.459 7.223 1.00 0.04 H new ATOM 0 HB3 TYR A 17 6.844 -12.935 6.960 1.00 0.04 H new ATOM 0 HD1 TYR A 17 4.691 -11.654 9.771 1.00 0.18 H new ATOM 0 HD2 TYR A 17 5.471 -14.810 7.015 1.00 0.08 H new ATOM 0 HE1 TYR A 17 2.839 -12.949 10.728 1.00 0.23 H new ATOM 0 HE2 TYR A 17 3.621 -16.107 7.975 1.00 0.12 H new ATOM 0 HH TYR A 17 2.005 -16.189 9.472 1.00 0.25 H new ATOM 283 N GLY A 18 9.743 -12.487 8.967 1.00 0.18 N ATOM 284 CA GLY A 18 10.851 -13.411 9.118 1.00 0.13 C ATOM 285 C GLY A 18 11.690 -13.528 7.861 1.00 0.05 C ATOM 286 O GLY A 18 12.897 -13.748 7.936 1.00 0.11 O ATOM 0 H GLY A 18 10.008 -11.503 8.926 1.00 0.18 H new ATOM 0 HA2 GLY A 18 11.483 -13.082 9.943 1.00 0.13 H new ATOM 0 HA3 GLY A 18 10.465 -14.395 9.385 1.00 0.13 H new ATOM 290 N GLN A 19 11.062 -13.365 6.706 1.00 0.05 N ATOM 291 CA GLN A 19 11.772 -13.465 5.437 1.00 0.10 C ATOM 292 C GLN A 19 12.278 -12.099 4.991 1.00 0.05 C ATOM 293 O GLN A 19 11.646 -11.077 5.260 1.00 0.08 O ATOM 294 CB GLN A 19 10.864 -14.056 4.356 1.00 0.19 C ATOM 295 CG GLN A 19 11.248 -15.465 3.932 1.00 0.14 C ATOM 296 CD GLN A 19 12.591 -15.529 3.223 1.00 0.49 C ATOM 297 OE1 GLN A 19 13.319 -16.510 3.342 1.00 0.68 O ATOM 298 NE2 GLN A 19 12.923 -14.489 2.471 1.00 0.67 N ATOM 0 H GLN A 19 10.066 -13.164 6.620 1.00 0.05 H new ATOM 0 HA GLN A 19 12.626 -14.126 5.584 1.00 0.10 H new ATOM 0 HB2 GLN A 19 9.837 -14.064 4.722 1.00 0.19 H new ATOM 0 HB3 GLN A 19 10.885 -13.405 3.482 1.00 0.19 H new ATOM 0 HG2 GLN A 19 11.277 -16.108 4.812 1.00 0.14 H new ATOM 0 HG3 GLN A 19 10.476 -15.863 3.273 1.00 0.14 H new ATOM 0 HE21 GLN A 19 12.292 -13.691 2.396 1.00 0.67 H new ATOM 0 HE22 GLN A 19 13.810 -14.487 1.967 1.00 0.67 H new ATOM 307 N ASP A 20 13.421 -12.084 4.324 1.00 0.12 N ATOM 308 CA ASP A 20 13.995 -10.845 3.830 1.00 0.10 C ATOM 309 C ASP A 20 13.648 -10.658 2.357 1.00 0.09 C ATOM 310 O ASP A 20 13.607 -11.620 1.588 1.00 0.10 O ATOM 311 CB ASP A 20 15.514 -10.822 4.033 1.00 0.17 C ATOM 312 CG ASP A 20 16.242 -11.807 3.141 1.00 0.39 C ATOM 313 OD1 ASP A 20 16.119 -13.027 3.373 1.00 0.49 O1- ATOM 314 OD2 ASP A 20 16.955 -11.366 2.213 1.00 0.55 O ATOM 0 H ASP A 20 13.969 -12.918 4.113 1.00 0.12 H new ATOM 0 HA ASP A 20 13.570 -10.019 4.400 1.00 0.10 H new ATOM 0 HB2 ASP A 20 15.887 -9.817 3.836 1.00 0.17 H new ATOM 0 HB3 ASP A 20 15.740 -11.047 5.075 1.00 0.17 H new ATOM 319 N TYR A 21 13.365 -9.423 1.977 1.00 0.07 N ATOM 320 CA TYR A 21 13.009 -9.112 0.600 1.00 0.07 C ATOM 321 C TYR A 21 13.792 -7.909 0.100 1.00 0.07 C ATOM 322 O TYR A 21 14.092 -6.987 0.864 1.00 0.16 O ATOM 323 CB TYR A 21 11.512 -8.824 0.480 1.00 0.05 C ATOM 324 CG TYR A 21 10.632 -9.922 1.029 1.00 0.07 C ATOM 325 CD1 TYR A 21 10.402 -11.083 0.303 1.00 0.05 C ATOM 326 CD2 TYR A 21 10.034 -9.797 2.277 1.00 0.15 C ATOM 327 CE1 TYR A 21 9.602 -12.090 0.805 1.00 0.08 C ATOM 328 CE2 TYR A 21 9.233 -10.800 2.786 1.00 0.17 C ATOM 329 CZ TYR A 21 9.021 -11.944 2.046 1.00 0.12 C ATOM 330 OH TYR A 21 8.225 -12.945 2.551 1.00 0.15 O ATOM 0 H TYR A 21 13.375 -8.618 2.603 1.00 0.07 H new ATOM 0 HA TYR A 21 13.258 -9.980 -0.010 1.00 0.07 H new ATOM 0 HB2 TYR A 21 11.287 -7.895 1.005 1.00 0.05 H new ATOM 0 HB3 TYR A 21 11.266 -8.665 -0.570 1.00 0.05 H new ATOM 0 HD1 TYR A 21 10.856 -11.200 -0.670 1.00 0.05 H new ATOM 0 HD2 TYR A 21 10.198 -8.901 2.858 1.00 0.15 H new ATOM 0 HE1 TYR A 21 9.432 -12.987 0.228 1.00 0.08 H new ATOM 0 HE2 TYR A 21 8.775 -10.689 3.758 1.00 0.17 H new ATOM 0 HH TYR A 21 7.894 -12.685 3.436 1.00 0.15 H new ATOM 340 N THR A 22 14.122 -7.923 -1.181 1.00 0.19 N ATOM 341 CA THR A 22 14.850 -6.827 -1.789 1.00 0.20 C ATOM 342 C THR A 22 13.882 -5.898 -2.510 1.00 0.21 C ATOM 343 O THR A 22 13.264 -6.287 -3.501 1.00 0.38 O ATOM 344 CB THR A 22 15.898 -7.335 -2.795 1.00 0.25 C ATOM 345 OG1 THR A 22 16.434 -8.594 -2.365 1.00 0.19 O ATOM 346 CG2 THR A 22 17.028 -6.330 -2.946 1.00 0.32 C ATOM 0 H THR A 22 13.895 -8.685 -1.820 1.00 0.19 H new ATOM 0 HA THR A 22 15.365 -6.290 -0.992 1.00 0.20 H new ATOM 0 HB THR A 22 15.406 -7.463 -3.759 1.00 0.25 H new ATOM 0 HG1 THR A 22 17.098 -8.906 -3.015 1.00 0.19 H new ATOM 0 HG21 THR A 22 17.758 -6.708 -3.661 1.00 0.32 H new ATOM 0 HG22 THR A 22 16.626 -5.382 -3.304 1.00 0.32 H new ATOM 0 HG23 THR A 22 17.511 -6.178 -1.981 1.00 0.32 H new ATOM 354 N ILE A 23 13.740 -4.682 -2.012 1.00 0.16 N ATOM 355 CA ILE A 23 12.835 -3.718 -2.619 1.00 0.16 C ATOM 356 C ILE A 23 13.584 -2.452 -3.009 1.00 0.15 C ATOM 357 O ILE A 23 14.764 -2.294 -2.690 1.00 0.13 O ATOM 358 CB ILE A 23 11.661 -3.361 -1.681 1.00 0.17 C ATOM 359 CG1 ILE A 23 12.179 -3.015 -0.275 1.00 0.05 C ATOM 360 CG2 ILE A 23 10.664 -4.514 -1.625 1.00 0.31 C ATOM 361 CD1 ILE A 23 11.119 -2.456 0.651 1.00 0.06 C ATOM 0 H ILE A 23 14.238 -4.338 -1.191 1.00 0.16 H new ATOM 0 HA ILE A 23 12.423 -4.184 -3.514 1.00 0.16 H new ATOM 0 HB ILE A 23 11.150 -2.483 -2.077 1.00 0.17 H new ATOM 0 HG12 ILE A 23 12.604 -3.912 0.175 1.00 0.05 H new ATOM 0 HG13 ILE A 23 12.988 -2.290 -0.365 1.00 0.05 H new ATOM 0 HG21 ILE A 23 9.841 -4.251 -0.961 1.00 0.31 H new ATOM 0 HG22 ILE A 23 10.276 -4.708 -2.625 1.00 0.31 H new ATOM 0 HG23 ILE A 23 11.162 -5.408 -1.249 1.00 0.31 H new ATOM 0 HD11 ILE A 23 11.563 -2.237 1.622 1.00 0.06 H new ATOM 0 HD12 ILE A 23 10.710 -1.540 0.225 1.00 0.06 H new ATOM 0 HD13 ILE A 23 10.320 -3.188 0.774 1.00 0.06 H new ATOM 373 N VAL A 24 12.901 -1.557 -3.699 1.00 0.16 N ATOM 374 CA VAL A 24 13.507 -0.310 -4.138 1.00 0.15 C ATOM 375 C VAL A 24 13.160 0.819 -3.176 1.00 0.15 C ATOM 376 O VAL A 24 11.994 1.009 -2.837 1.00 0.15 O ATOM 377 CB VAL A 24 13.045 0.073 -5.561 1.00 0.17 C ATOM 378 CG1 VAL A 24 13.776 1.313 -6.060 1.00 0.17 C ATOM 379 CG2 VAL A 24 13.249 -1.089 -6.519 1.00 0.18 C ATOM 0 H VAL A 24 11.924 -1.669 -3.969 1.00 0.16 H new ATOM 0 HA VAL A 24 14.586 -0.461 -4.152 1.00 0.15 H new ATOM 0 HB VAL A 24 11.981 0.305 -5.518 1.00 0.17 H new ATOM 0 HG11 VAL A 24 13.431 1.559 -7.064 1.00 0.17 H new ATOM 0 HG12 VAL A 24 13.573 2.149 -5.391 1.00 0.17 H new ATOM 0 HG13 VAL A 24 14.848 1.119 -6.082 1.00 0.17 H new ATOM 0 HG21 VAL A 24 12.918 -0.801 -7.517 1.00 0.18 H new ATOM 0 HG22 VAL A 24 14.306 -1.354 -6.550 1.00 0.18 H new ATOM 0 HG23 VAL A 24 12.670 -1.947 -6.179 1.00 0.18 H new ATOM 389 N GLY A 25 14.177 1.545 -2.720 1.00 0.14 N ATOM 390 CA GLY A 25 13.953 2.652 -1.807 1.00 0.13 C ATOM 391 C GLY A 25 13.592 3.931 -2.537 1.00 0.11 C ATOM 392 O GLY A 25 12.412 4.225 -2.730 1.00 0.08 O ATOM 0 H GLY A 25 15.154 1.386 -2.967 1.00 0.14 H new ATOM 0 HA2 GLY A 25 13.153 2.393 -1.114 1.00 0.13 H new ATOM 0 HA3 GLY A 25 14.851 2.817 -1.211 1.00 0.13 H new ATOM 396 N ALA A 26 14.614 4.694 -2.930 1.00 0.15 N ATOM 397 CA ALA A 26 14.425 5.957 -3.654 1.00 0.17 C ATOM 398 C ALA A 26 13.647 6.974 -2.818 1.00 0.12 C ATOM 399 O ALA A 26 12.731 7.631 -3.314 1.00 0.19 O ATOM 400 CB ALA A 26 13.729 5.714 -4.989 1.00 0.27 C ATOM 0 H ALA A 26 15.591 4.458 -2.758 1.00 0.15 H new ATOM 0 HA ALA A 26 15.412 6.376 -3.848 1.00 0.17 H new ATOM 0 HB1 ALA A 26 13.599 6.663 -5.509 1.00 0.27 H new ATOM 0 HB2 ALA A 26 14.336 5.046 -5.600 1.00 0.27 H new ATOM 0 HB3 ALA A 26 12.754 5.260 -4.814 1.00 0.27 H new ATOM 406 N GLU A 27 14.032 7.110 -1.554 1.00 0.11 N ATOM 407 CA GLU A 27 13.368 8.041 -0.649 1.00 0.05 C ATOM 408 C GLU A 27 14.316 8.449 0.485 1.00 0.10 C ATOM 409 O GLU A 27 14.892 9.536 0.456 1.00 0.20 O ATOM 410 CB GLU A 27 12.073 7.405 -0.111 1.00 0.11 C ATOM 411 CG GLU A 27 11.468 8.084 1.113 1.00 0.78 C ATOM 412 CD GLU A 27 11.372 9.595 0.993 1.00 1.22 C ATOM 413 OE1 GLU A 27 10.786 10.088 0.009 1.00 1.46 O ATOM 414 OE2 GLU A 27 11.873 10.290 1.902 1.00 1.58 O1- ATOM 0 H GLU A 27 14.800 6.588 -1.133 1.00 0.11 H new ATOM 0 HA GLU A 27 13.099 8.948 -1.190 1.00 0.05 H new ATOM 0 HB2 GLU A 27 11.330 7.404 -0.909 1.00 0.11 H new ATOM 0 HB3 GLU A 27 12.276 6.363 0.136 1.00 0.11 H new ATOM 0 HG2 GLU A 27 10.471 7.679 1.286 1.00 0.78 H new ATOM 0 HG3 GLU A 27 12.069 7.836 1.988 1.00 0.78 H new ATOM 421 N SER A 28 14.498 7.566 1.459 1.00 0.11 N ATOM 422 CA SER A 28 15.370 7.841 2.592 1.00 0.17 C ATOM 423 C SER A 28 15.643 6.550 3.353 1.00 0.18 C ATOM 424 O SER A 28 14.742 5.722 3.510 1.00 0.15 O ATOM 425 CB SER A 28 14.736 8.899 3.512 1.00 0.18 C ATOM 426 OG SER A 28 14.840 8.542 4.885 1.00 0.26 O ATOM 0 H SER A 28 14.051 6.650 1.486 1.00 0.11 H new ATOM 0 HA SER A 28 16.318 8.238 2.228 1.00 0.17 H new ATOM 0 HB2 SER A 28 15.224 9.860 3.349 1.00 0.18 H new ATOM 0 HB3 SER A 28 13.686 9.026 3.249 1.00 0.18 H new ATOM 0 HG SER A 28 14.428 9.239 5.436 1.00 0.26 H new ATOM 432 N PRO A 29 16.889 6.360 3.825 1.00 0.23 N ATOM 433 CA PRO A 29 17.292 5.163 4.577 1.00 0.26 C ATOM 434 C PRO A 29 16.362 4.849 5.750 1.00 0.28 C ATOM 435 O PRO A 29 15.929 3.712 5.924 1.00 0.34 O ATOM 436 CB PRO A 29 18.683 5.524 5.093 1.00 0.31 C ATOM 437 CG PRO A 29 19.206 6.516 4.114 1.00 0.31 C ATOM 438 CD PRO A 29 18.014 7.299 3.643 1.00 0.25 C ATOM 0 HA PRO A 29 17.262 4.271 3.951 1.00 0.26 H new ATOM 0 HB2 PRO A 29 18.635 5.946 6.097 1.00 0.31 H new ATOM 0 HB3 PRO A 29 19.325 4.645 5.147 1.00 0.31 H new ATOM 0 HG2 PRO A 29 19.944 7.170 4.578 1.00 0.31 H new ATOM 0 HG3 PRO A 29 19.700 6.018 3.280 1.00 0.31 H new ATOM 0 HD2 PRO A 29 17.876 8.209 4.227 1.00 0.25 H new ATOM 0 HD3 PRO A 29 18.119 7.602 2.601 1.00 0.25 H new ATOM 446 N ALA A 30 16.053 5.864 6.547 1.00 0.27 N ATOM 447 CA ALA A 30 15.181 5.684 7.701 1.00 0.30 C ATOM 448 C ALA A 30 13.730 5.490 7.269 1.00 0.18 C ATOM 449 O ALA A 30 13.008 4.670 7.837 1.00 0.15 O ATOM 450 CB ALA A 30 15.304 6.868 8.646 1.00 0.41 C ATOM 0 H ALA A 30 16.392 6.817 6.416 1.00 0.27 H new ATOM 0 HA ALA A 30 15.496 4.783 8.227 1.00 0.30 H new ATOM 0 HB1 ALA A 30 14.647 6.719 9.503 1.00 0.41 H new ATOM 0 HB2 ALA A 30 16.335 6.954 8.990 1.00 0.41 H new ATOM 0 HB3 ALA A 30 15.018 7.781 8.124 1.00 0.41 H new ATOM 456 N HIS A 31 13.320 6.232 6.244 1.00 0.13 N ATOM 457 CA HIS A 31 11.953 6.147 5.732 1.00 0.10 C ATOM 458 C HIS A 31 11.636 4.749 5.220 1.00 0.09 C ATOM 459 O HIS A 31 10.641 4.147 5.614 1.00 0.19 O ATOM 460 CB HIS A 31 11.726 7.164 4.609 1.00 0.21 C ATOM 461 CG HIS A 31 11.135 8.463 5.069 1.00 0.05 C ATOM 462 ND1 HIS A 31 11.274 9.642 4.372 1.00 0.28 N ATOM 463 CD2 HIS A 31 10.394 8.763 6.162 1.00 0.12 C ATOM 464 CE1 HIS A 31 10.642 10.605 5.012 1.00 0.41 C ATOM 465 NE2 HIS A 31 10.098 10.102 6.101 1.00 0.32 N ATOM 0 H HIS A 31 13.914 6.899 5.751 1.00 0.13 H new ATOM 0 HA HIS A 31 11.285 6.374 6.563 1.00 0.10 H new ATOM 0 HB2 HIS A 31 12.678 7.364 4.117 1.00 0.21 H new ATOM 0 HB3 HIS A 31 11.067 6.722 3.861 1.00 0.21 H new ATOM 0 HD1 HIS A 31 11.786 9.753 3.497 1.00 0.28 H new ATOM 0 HD2 HIS A 31 10.092 8.076 6.938 1.00 0.12 H new ATOM 0 HE1 HIS A 31 10.580 11.636 4.696 1.00 0.41 H new ATOM 474 N ILE A 32 12.499 4.232 4.357 1.00 0.08 N ATOM 475 CA ILE A 32 12.306 2.906 3.766 1.00 0.20 C ATOM 476 C ILE A 32 12.482 1.791 4.794 1.00 0.27 C ATOM 477 O ILE A 32 11.997 0.676 4.601 1.00 0.36 O ATOM 478 CB ILE A 32 13.264 2.663 2.572 1.00 0.23 C ATOM 479 CG1 ILE A 32 14.732 2.623 3.042 1.00 0.25 C ATOM 480 CG2 ILE A 32 13.059 3.737 1.509 1.00 0.18 C ATOM 481 CD1 ILE A 32 15.736 2.379 1.934 1.00 0.30 C ATOM 0 H ILE A 32 13.345 4.710 4.046 1.00 0.08 H new ATOM 0 HA ILE A 32 11.279 2.884 3.402 1.00 0.20 H new ATOM 0 HB ILE A 32 13.032 1.693 2.133 1.00 0.23 H new ATOM 0 HG12 ILE A 32 14.970 3.568 3.531 1.00 0.25 H new ATOM 0 HG13 ILE A 32 14.840 1.840 3.793 1.00 0.25 H new ATOM 0 HG21 ILE A 32 13.737 3.557 0.675 1.00 0.18 H new ATOM 0 HG22 ILE A 32 12.029 3.705 1.153 1.00 0.18 H new ATOM 0 HG23 ILE A 32 13.264 4.718 1.938 1.00 0.18 H new ATOM 0 HD11 ILE A 32 16.743 2.366 2.352 1.00 0.30 H new ATOM 0 HD12 ILE A 32 15.528 1.420 1.459 1.00 0.30 H new ATOM 0 HD13 ILE A 32 15.661 3.175 1.193 1.00 0.30 H new ATOM 493 N ARG A 33 13.151 2.101 5.893 1.00 0.25 N ATOM 494 CA ARG A 33 13.388 1.121 6.941 1.00 0.32 C ATOM 495 C ARG A 33 12.120 0.861 7.751 1.00 0.34 C ATOM 496 O ARG A 33 11.821 -0.280 8.102 1.00 0.57 O ATOM 497 CB ARG A 33 14.510 1.599 7.862 1.00 0.34 C ATOM 498 CG ARG A 33 15.217 0.477 8.607 1.00 0.38 C ATOM 499 CD ARG A 33 16.726 0.566 8.431 1.00 0.37 C ATOM 500 NE ARG A 33 17.255 1.864 8.854 1.00 0.36 N ATOM 501 CZ ARG A 33 18.309 2.459 8.297 1.00 0.68 C ATOM 502 NH1 ARG A 33 18.958 1.870 7.297 1.00 1.01 N1+ ATOM 503 NH2 ARG A 33 18.718 3.639 8.745 1.00 0.84 N ATOM 0 H ARG A 33 13.540 3.025 6.083 1.00 0.25 H new ATOM 0 HA ARG A 33 13.685 0.185 6.468 1.00 0.32 H new ATOM 0 HB2 ARG A 33 15.243 2.147 7.271 1.00 0.34 H new ATOM 0 HB3 ARG A 33 14.097 2.300 8.588 1.00 0.34 H new ATOM 0 HG2 ARG A 33 14.968 0.527 9.667 1.00 0.38 H new ATOM 0 HG3 ARG A 33 14.862 -0.486 8.241 1.00 0.38 H new ATOM 0 HD2 ARG A 33 17.205 -0.225 9.008 1.00 0.37 H new ATOM 0 HD3 ARG A 33 16.979 0.396 7.385 1.00 0.37 H new ATOM 0 HE ARG A 33 16.787 2.343 9.624 1.00 0.36 H new ATOM 0 HH11 ARG A 33 18.649 0.960 6.954 1.00 1.01 H new ATOM 0 HH12 ARG A 33 19.765 2.328 6.873 1.00 1.01 H new ATOM 0 HH21 ARG A 33 18.226 4.091 9.516 1.00 0.84 H new ATOM 0 HH22 ARG A 33 19.525 4.095 8.319 1.00 0.84 H new ATOM 517 N LEU A 34 11.363 1.916 8.034 1.00 0.14 N ATOM 518 CA LEU A 34 10.141 1.775 8.817 1.00 0.15 C ATOM 519 C LEU A 34 9.001 1.198 7.977 1.00 0.16 C ATOM 520 O LEU A 34 8.016 0.697 8.525 1.00 0.17 O ATOM 521 CB LEU A 34 9.741 3.115 9.449 1.00 0.13 C ATOM 522 CG LEU A 34 8.968 4.081 8.547 1.00 0.07 C ATOM 523 CD1 LEU A 34 7.482 4.051 8.885 1.00 0.12 C ATOM 524 CD2 LEU A 34 9.516 5.491 8.693 1.00 0.04 C ATOM 0 H LEU A 34 11.571 2.869 7.736 1.00 0.14 H new ATOM 0 HA LEU A 34 10.342 1.068 9.622 1.00 0.15 H new ATOM 0 HB2 LEU A 34 9.135 2.911 10.332 1.00 0.13 H new ATOM 0 HB3 LEU A 34 10.646 3.616 9.792 1.00 0.13 H new ATOM 0 HG LEU A 34 9.093 3.765 7.511 1.00 0.07 H new ATOM 0 HD11 LEU A 34 6.947 4.743 8.235 1.00 0.12 H new ATOM 0 HD12 LEU A 34 7.096 3.042 8.738 1.00 0.12 H new ATOM 0 HD13 LEU A 34 7.339 4.346 9.925 1.00 0.12 H new ATOM 0 HD21 LEU A 34 8.957 6.167 8.046 1.00 0.04 H new ATOM 0 HD22 LEU A 34 9.416 5.815 9.729 1.00 0.04 H new ATOM 0 HD23 LEU A 34 10.568 5.504 8.409 1.00 0.04 H new ATOM 536 N VAL A 35 9.139 1.257 6.653 1.00 0.16 N ATOM 537 CA VAL A 35 8.121 0.724 5.750 1.00 0.16 C ATOM 538 C VAL A 35 7.915 -0.764 6.006 1.00 0.13 C ATOM 539 O VAL A 35 6.785 -1.251 6.061 1.00 0.12 O ATOM 540 CB VAL A 35 8.508 0.926 4.267 1.00 0.20 C ATOM 541 CG1 VAL A 35 7.471 0.301 3.349 1.00 0.18 C ATOM 542 CG2 VAL A 35 8.673 2.401 3.944 1.00 0.25 C ATOM 0 H VAL A 35 9.945 1.668 6.183 1.00 0.16 H new ATOM 0 HA VAL A 35 7.199 1.271 5.947 1.00 0.16 H new ATOM 0 HB VAL A 35 9.464 0.428 4.102 1.00 0.20 H new ATOM 0 HG11 VAL A 35 7.764 0.455 2.311 1.00 0.18 H new ATOM 0 HG12 VAL A 35 7.403 -0.768 3.552 1.00 0.18 H new ATOM 0 HG13 VAL A 35 6.501 0.766 3.525 1.00 0.18 H new ATOM 0 HG21 VAL A 35 8.945 2.515 2.895 1.00 0.25 H new ATOM 0 HG22 VAL A 35 7.735 2.922 4.134 1.00 0.25 H new ATOM 0 HG23 VAL A 35 9.457 2.825 4.571 1.00 0.25 H new ATOM 552 N ALA A 36 9.019 -1.472 6.180 1.00 0.14 N ATOM 553 CA ALA A 36 8.982 -2.903 6.432 1.00 0.15 C ATOM 554 C ALA A 36 8.214 -3.221 7.707 1.00 0.12 C ATOM 555 O ALA A 36 7.360 -4.103 7.722 1.00 0.11 O ATOM 556 CB ALA A 36 10.393 -3.450 6.521 1.00 0.18 C ATOM 0 H ALA A 36 9.958 -1.075 6.151 1.00 0.14 H new ATOM 0 HA ALA A 36 8.463 -3.380 5.601 1.00 0.15 H new ATOM 0 HB1 ALA A 36 10.356 -4.523 6.710 1.00 0.18 H new ATOM 0 HB2 ALA A 36 10.915 -3.265 5.582 1.00 0.18 H new ATOM 0 HB3 ALA A 36 10.924 -2.956 7.335 1.00 0.18 H new ATOM 562 N ALA A 37 8.507 -2.480 8.770 1.00 0.13 N ATOM 563 CA ALA A 37 7.846 -2.686 10.052 1.00 0.11 C ATOM 564 C ALA A 37 6.368 -2.310 9.978 1.00 0.14 C ATOM 565 O ALA A 37 5.553 -2.802 10.756 1.00 0.20 O ATOM 566 CB ALA A 37 8.552 -1.886 11.138 1.00 0.13 C ATOM 0 H ALA A 37 9.199 -1.731 8.768 1.00 0.13 H new ATOM 0 HA ALA A 37 7.905 -3.745 10.301 1.00 0.11 H new ATOM 0 HB1 ALA A 37 8.051 -2.047 12.092 1.00 0.13 H new ATOM 0 HB2 ALA A 37 9.589 -2.212 11.214 1.00 0.13 H new ATOM 0 HB3 ALA A 37 8.522 -0.826 10.886 1.00 0.13 H new ATOM 572 N PHE A 38 6.029 -1.438 9.036 1.00 0.15 N ATOM 573 CA PHE A 38 4.650 -0.996 8.856 1.00 0.21 C ATOM 574 C PHE A 38 3.788 -2.142 8.322 1.00 0.21 C ATOM 575 O PHE A 38 2.719 -2.434 8.861 1.00 0.28 O ATOM 576 CB PHE A 38 4.603 0.202 7.897 1.00 0.26 C ATOM 577 CG PHE A 38 3.251 0.850 7.784 1.00 0.34 C ATOM 578 CD1 PHE A 38 2.754 1.630 8.814 1.00 0.41 C ATOM 579 CD2 PHE A 38 2.479 0.681 6.643 1.00 0.35 C ATOM 580 CE1 PHE A 38 1.512 2.228 8.713 1.00 0.50 C ATOM 581 CE2 PHE A 38 1.237 1.276 6.536 1.00 0.43 C ATOM 582 CZ PHE A 38 0.753 2.050 7.573 1.00 0.50 C ATOM 0 H PHE A 38 6.692 -1.021 8.383 1.00 0.15 H new ATOM 0 HA PHE A 38 4.251 -0.687 9.822 1.00 0.21 H new ATOM 0 HB2 PHE A 38 5.324 0.948 8.231 1.00 0.26 H new ATOM 0 HB3 PHE A 38 4.919 -0.127 6.907 1.00 0.26 H new ATOM 0 HD1 PHE A 38 3.344 1.773 9.707 1.00 0.41 H new ATOM 0 HD2 PHE A 38 2.854 0.077 5.830 1.00 0.35 H new ATOM 0 HE1 PHE A 38 1.136 2.833 9.524 1.00 0.50 H new ATOM 0 HE2 PHE A 38 0.645 1.136 5.643 1.00 0.43 H new ATOM 0 HZ PHE A 38 -0.218 2.516 7.492 1.00 0.50 H new ATOM 592 N VAL A 39 4.267 -2.795 7.271 1.00 0.16 N ATOM 593 CA VAL A 39 3.541 -3.906 6.667 1.00 0.17 C ATOM 594 C VAL A 39 3.643 -5.163 7.537 1.00 0.16 C ATOM 595 O VAL A 39 2.707 -5.964 7.598 1.00 0.18 O ATOM 596 CB VAL A 39 4.046 -4.197 5.230 1.00 0.15 C ATOM 597 CG1 VAL A 39 5.431 -4.825 5.236 1.00 0.17 C ATOM 598 CG2 VAL A 39 3.059 -5.080 4.482 1.00 0.15 C ATOM 0 H VAL A 39 5.155 -2.575 6.819 1.00 0.16 H new ATOM 0 HA VAL A 39 2.492 -3.616 6.602 1.00 0.17 H new ATOM 0 HB VAL A 39 4.122 -3.242 4.710 1.00 0.15 H new ATOM 0 HG11 VAL A 39 5.749 -5.014 4.211 1.00 0.17 H new ATOM 0 HG12 VAL A 39 6.136 -4.146 5.716 1.00 0.17 H new ATOM 0 HG13 VAL A 39 5.402 -5.766 5.786 1.00 0.17 H new ATOM 0 HG21 VAL A 39 3.432 -5.272 3.476 1.00 0.15 H new ATOM 0 HG22 VAL A 39 2.942 -6.025 5.012 1.00 0.15 H new ATOM 0 HG23 VAL A 39 2.094 -4.576 4.421 1.00 0.15 H new ATOM 608 N ASP A 40 4.774 -5.311 8.227 1.00 0.12 N ATOM 609 CA ASP A 40 5.008 -6.460 9.099 1.00 0.11 C ATOM 610 C ASP A 40 3.965 -6.516 10.208 1.00 0.12 C ATOM 611 O ASP A 40 3.386 -7.569 10.481 1.00 0.13 O ATOM 612 CB ASP A 40 6.417 -6.380 9.703 1.00 0.09 C ATOM 613 CG ASP A 40 6.816 -7.622 10.478 1.00 0.09 C ATOM 614 OD1 ASP A 40 6.343 -7.790 11.622 1.00 1.14 O1- ATOM 615 OD2 ASP A 40 7.630 -8.422 9.958 1.00 1.03 O ATOM 0 H ASP A 40 5.546 -4.645 8.198 1.00 0.12 H new ATOM 0 HA ASP A 40 4.925 -7.369 8.504 1.00 0.11 H new ATOM 0 HB2 ASP A 40 7.138 -6.214 8.902 1.00 0.09 H new ATOM 0 HB3 ASP A 40 6.471 -5.516 10.365 1.00 0.09 H new ATOM 620 N ASP A 41 3.716 -5.374 10.833 1.00 0.12 N ATOM 621 CA ASP A 41 2.743 -5.289 11.914 1.00 0.13 C ATOM 622 C ASP A 41 1.331 -5.556 11.408 1.00 0.09 C ATOM 623 O ASP A 41 0.560 -6.284 12.038 1.00 0.07 O ATOM 624 CB ASP A 41 2.786 -3.907 12.570 1.00 0.16 C ATOM 625 CG ASP A 41 3.791 -3.815 13.699 1.00 0.13 C ATOM 626 OD1 ASP A 41 4.150 -4.864 14.275 1.00 0.22 O ATOM 627 OD2 ASP A 41 4.219 -2.686 14.024 1.00 0.12 O1- ATOM 0 H ASP A 41 4.175 -4.491 10.610 1.00 0.12 H new ATOM 0 HA ASP A 41 3.006 -6.051 12.648 1.00 0.13 H new ATOM 0 HB2 ASP A 41 3.029 -3.160 11.814 1.00 0.16 H new ATOM 0 HB3 ASP A 41 1.795 -3.662 12.953 1.00 0.16 H new ATOM 632 N LYS A 42 1.006 -4.978 10.259 1.00 0.10 N ATOM 633 CA LYS A 42 -0.319 -5.118 9.666 1.00 0.11 C ATOM 634 C LYS A 42 -0.642 -6.571 9.315 1.00 0.03 C ATOM 635 O LYS A 42 -1.758 -7.033 9.533 1.00 0.07 O ATOM 636 CB LYS A 42 -0.425 -4.242 8.419 1.00 0.19 C ATOM 637 CG LYS A 42 -1.839 -4.136 7.870 1.00 0.26 C ATOM 638 CD LYS A 42 -1.924 -3.120 6.744 1.00 0.28 C ATOM 639 CE LYS A 42 -1.968 -1.697 7.279 1.00 0.31 C ATOM 640 NZ LYS A 42 -3.237 -1.415 7.999 1.00 0.38 N1+ ATOM 0 H LYS A 42 1.648 -4.402 9.714 1.00 0.10 H new ATOM 0 HA LYS A 42 -1.048 -4.792 10.408 1.00 0.11 H new ATOM 0 HB2 LYS A 42 -0.060 -3.243 8.655 1.00 0.19 H new ATOM 0 HB3 LYS A 42 0.227 -4.646 7.645 1.00 0.19 H new ATOM 0 HG2 LYS A 42 -2.164 -5.111 7.507 1.00 0.26 H new ATOM 0 HG3 LYS A 42 -2.521 -3.851 8.671 1.00 0.26 H new ATOM 0 HD2 LYS A 42 -1.065 -3.235 6.083 1.00 0.28 H new ATOM 0 HD3 LYS A 42 -2.814 -3.312 6.145 1.00 0.28 H new ATOM 0 HE2 LYS A 42 -1.125 -1.536 7.951 1.00 0.31 H new ATOM 0 HE3 LYS A 42 -1.855 -0.995 6.453 1.00 0.31 H new ATOM 0 HZ1 LYS A 42 -3.500 -0.418 7.862 1.00 0.38 H new ATOM 0 HZ2 LYS A 42 -3.991 -2.026 7.626 1.00 0.38 H new ATOM 0 HZ3 LYS A 42 -3.110 -1.603 9.014 1.00 0.38 H new ATOM 654 N MET A 43 0.331 -7.299 8.787 1.00 0.07 N ATOM 655 CA MET A 43 0.096 -8.691 8.417 1.00 0.12 C ATOM 656 C MET A 43 -0.023 -9.568 9.659 1.00 0.16 C ATOM 657 O MET A 43 -0.562 -10.673 9.605 1.00 0.35 O ATOM 658 CB MET A 43 1.198 -9.204 7.482 1.00 0.18 C ATOM 659 CG MET A 43 2.484 -9.596 8.188 1.00 0.16 C ATOM 660 SD MET A 43 3.795 -10.041 7.034 1.00 0.26 S ATOM 661 CE MET A 43 2.973 -11.286 6.040 1.00 0.29 C ATOM 0 H MET A 43 1.276 -6.959 8.607 1.00 0.07 H new ATOM 0 HA MET A 43 -0.849 -8.743 7.877 1.00 0.12 H new ATOM 0 HB2 MET A 43 0.821 -10.067 6.934 1.00 0.18 H new ATOM 0 HB3 MET A 43 1.422 -8.432 6.746 1.00 0.18 H new ATOM 0 HG2 MET A 43 2.819 -8.768 8.812 1.00 0.16 H new ATOM 0 HG3 MET A 43 2.288 -10.437 8.853 1.00 0.16 H new ATOM 0 HE1 MET A 43 3.719 -11.888 5.521 1.00 0.29 H new ATOM 0 HE2 MET A 43 2.373 -11.928 6.685 1.00 0.29 H new ATOM 0 HE3 MET A 43 2.327 -10.800 5.309 1.00 0.29 H new ATOM 671 N HIS A 44 0.456 -9.066 10.788 1.00 0.02 N ATOM 672 CA HIS A 44 0.382 -9.815 12.035 1.00 0.04 C ATOM 673 C HIS A 44 -1.010 -9.693 12.641 1.00 0.05 C ATOM 674 O HIS A 44 -1.548 -10.659 13.176 1.00 0.20 O ATOM 675 CB HIS A 44 1.437 -9.335 13.033 1.00 0.08 C ATOM 676 CG HIS A 44 2.747 -10.056 12.916 1.00 0.11 C ATOM 677 ND1 HIS A 44 3.791 -9.596 12.147 1.00 0.27 N ATOM 678 CD2 HIS A 44 3.185 -11.206 13.486 1.00 0.29 C ATOM 679 CE1 HIS A 44 4.810 -10.426 12.242 1.00 0.38 C ATOM 680 NE2 HIS A 44 4.470 -11.413 13.049 1.00 0.40 N ATOM 0 H HIS A 44 0.897 -8.150 10.867 1.00 0.02 H new ATOM 0 HA HIS A 44 0.582 -10.863 11.811 1.00 0.04 H new ATOM 0 HB2 HIS A 44 1.605 -8.268 12.886 1.00 0.08 H new ATOM 0 HB3 HIS A 44 1.052 -9.461 14.045 1.00 0.08 H new ATOM 0 HD1 HIS A 44 3.778 -8.743 11.588 1.00 0.27 H new ATOM 0 HD2 HIS A 44 2.627 -11.841 14.158 1.00 0.29 H new ATOM 0 HE1 HIS A 44 5.762 -10.317 11.744 1.00 0.38 H new ATOM 689 N GLU A 45 -1.605 -8.506 12.533 1.00 0.16 N ATOM 690 CA GLU A 45 -2.939 -8.278 13.075 1.00 0.15 C ATOM 691 C GLU A 45 -3.984 -9.029 12.252 1.00 0.15 C ATOM 692 O GLU A 45 -4.955 -9.556 12.793 1.00 0.17 O ATOM 693 CB GLU A 45 -3.270 -6.777 13.123 1.00 0.12 C ATOM 694 CG GLU A 45 -3.490 -6.140 11.754 1.00 0.09 C ATOM 695 CD GLU A 45 -3.942 -4.700 11.840 1.00 0.12 C ATOM 696 OE1 GLU A 45 -3.078 -3.803 11.892 1.00 0.21 O1- ATOM 697 OE2 GLU A 45 -5.167 -4.455 11.853 1.00 0.16 O ATOM 0 H GLU A 45 -1.187 -7.694 12.078 1.00 0.16 H new ATOM 0 HA GLU A 45 -2.957 -8.659 14.096 1.00 0.15 H new ATOM 0 HB2 GLU A 45 -4.166 -6.633 13.726 1.00 0.12 H new ATOM 0 HB3 GLU A 45 -2.458 -6.254 13.628 1.00 0.12 H new ATOM 0 HG2 GLU A 45 -2.563 -6.191 11.182 1.00 0.09 H new ATOM 0 HG3 GLU A 45 -4.235 -6.717 11.206 1.00 0.09 H new ATOM 704 N PHE A 46 -3.763 -9.102 10.941 1.00 0.15 N ATOM 705 CA PHE A 46 -4.689 -9.791 10.051 1.00 0.14 C ATOM 706 C PHE A 46 -4.645 -11.299 10.268 1.00 0.16 C ATOM 707 O PHE A 46 -5.619 -12.001 9.988 1.00 0.17 O ATOM 708 CB PHE A 46 -4.391 -9.446 8.593 1.00 0.14 C ATOM 709 CG PHE A 46 -5.132 -8.229 8.119 1.00 0.15 C ATOM 710 CD1 PHE A 46 -6.518 -8.204 8.120 1.00 0.13 C ATOM 711 CD2 PHE A 46 -4.447 -7.112 7.676 1.00 0.18 C ATOM 712 CE1 PHE A 46 -7.204 -7.088 7.689 1.00 0.14 C ATOM 713 CE2 PHE A 46 -5.129 -5.992 7.242 1.00 0.19 C ATOM 714 CZ PHE A 46 -6.508 -5.981 7.247 1.00 0.17 C ATOM 0 H PHE A 46 -2.953 -8.693 10.475 1.00 0.15 H new ATOM 0 HA PHE A 46 -5.697 -9.450 10.287 1.00 0.14 H new ATOM 0 HB2 PHE A 46 -3.320 -9.282 8.475 1.00 0.14 H new ATOM 0 HB3 PHE A 46 -4.655 -10.295 7.962 1.00 0.14 H new ATOM 0 HD1 PHE A 46 -7.067 -9.069 8.462 1.00 0.13 H new ATOM 0 HD2 PHE A 46 -3.367 -7.116 7.669 1.00 0.18 H new ATOM 0 HE1 PHE A 46 -8.284 -7.080 7.697 1.00 0.14 H new ATOM 0 HE2 PHE A 46 -4.583 -5.126 6.899 1.00 0.19 H new ATOM 0 HZ PHE A 46 -7.043 -5.107 6.905 1.00 0.17 H new ATOM 724 N SER A 47 -3.522 -11.791 10.787 1.00 0.21 N ATOM 725 CA SER A 47 -3.365 -13.216 11.062 1.00 0.23 C ATOM 726 C SER A 47 -4.345 -13.649 12.152 1.00 0.21 C ATOM 727 O SER A 47 -4.695 -14.823 12.264 1.00 0.32 O ATOM 728 CB SER A 47 -1.928 -13.528 11.489 1.00 0.25 C ATOM 729 OG SER A 47 -1.002 -13.233 10.452 1.00 0.76 O ATOM 0 H SER A 47 -2.708 -11.224 11.025 1.00 0.21 H new ATOM 0 HA SER A 47 -3.580 -13.772 10.149 1.00 0.23 H new ATOM 0 HB2 SER A 47 -1.677 -12.949 12.378 1.00 0.25 H new ATOM 0 HB3 SER A 47 -1.848 -14.580 11.761 1.00 0.25 H new ATOM 0 HG SER A 47 -0.987 -12.266 10.292 1.00 0.76 H new ATOM 735 N GLU A 48 -4.796 -12.682 12.939 1.00 0.09 N ATOM 736 CA GLU A 48 -5.737 -12.940 14.014 1.00 0.08 C ATOM 737 C GLU A 48 -7.137 -13.173 13.448 1.00 0.10 C ATOM 738 O GLU A 48 -7.918 -13.961 13.988 1.00 0.07 O ATOM 739 CB GLU A 48 -5.740 -11.754 14.981 1.00 0.11 C ATOM 740 CG GLU A 48 -6.551 -11.975 16.243 1.00 0.06 C ATOM 741 CD GLU A 48 -6.368 -10.855 17.244 1.00 0.28 C ATOM 742 OE1 GLU A 48 -5.428 -10.932 18.064 1.00 0.49 O1- ATOM 743 OE2 GLU A 48 -7.157 -9.888 17.217 1.00 0.61 O ATOM 0 H GLU A 48 -4.521 -11.704 12.849 1.00 0.09 H new ATOM 0 HA GLU A 48 -5.434 -13.838 14.552 1.00 0.08 H new ATOM 0 HB2 GLU A 48 -4.711 -11.526 15.260 1.00 0.11 H new ATOM 0 HB3 GLU A 48 -6.130 -10.879 14.462 1.00 0.11 H new ATOM 0 HG2 GLU A 48 -7.606 -12.060 15.984 1.00 0.06 H new ATOM 0 HG3 GLU A 48 -6.258 -12.920 16.700 1.00 0.06 H new ATOM 750 N LYS A 49 -7.436 -12.504 12.339 1.00 0.14 N ATOM 751 CA LYS A 49 -8.740 -12.623 11.702 1.00 0.18 C ATOM 752 C LYS A 49 -8.806 -13.845 10.795 1.00 0.27 C ATOM 753 O LYS A 49 -9.756 -14.622 10.878 1.00 0.38 O ATOM 754 CB LYS A 49 -9.057 -11.364 10.895 1.00 0.12 C ATOM 755 CG LYS A 49 -9.150 -10.092 11.731 1.00 0.20 C ATOM 756 CD LYS A 49 -10.419 -10.040 12.577 1.00 0.43 C ATOM 757 CE LYS A 49 -11.637 -9.638 11.762 1.00 0.64 C ATOM 758 NZ LYS A 49 -12.882 -9.683 12.573 1.00 0.88 N1+ ATOM 0 H LYS A 49 -6.791 -11.873 11.863 1.00 0.14 H new ATOM 0 HA LYS A 49 -9.482 -12.742 12.491 1.00 0.18 H new ATOM 0 HB2 LYS A 49 -8.287 -11.230 10.135 1.00 0.12 H new ATOM 0 HB3 LYS A 49 -10.001 -11.510 10.371 1.00 0.12 H new ATOM 0 HG2 LYS A 49 -8.279 -10.025 12.383 1.00 0.20 H new ATOM 0 HG3 LYS A 49 -9.121 -9.225 11.071 1.00 0.20 H new ATOM 0 HD2 LYS A 49 -10.593 -11.017 13.029 1.00 0.43 H new ATOM 0 HD3 LYS A 49 -10.280 -9.331 13.393 1.00 0.43 H new ATOM 0 HE2 LYS A 49 -11.495 -8.631 11.369 1.00 0.64 H new ATOM 0 HE3 LYS A 49 -11.737 -10.304 10.905 1.00 0.64 H new ATOM 0 HZ1 LYS A 49 -13.691 -9.402 11.983 1.00 0.88 H new ATOM 0 HZ2 LYS A 49 -13.031 -10.649 12.928 1.00 0.88 H new ATOM 0 HZ3 LYS A 49 -12.797 -9.029 13.377 1.00 0.88 H new ATOM 772 N GLN A 50 -7.793 -14.003 9.939 1.00 0.30 N ATOM 773 CA GLN A 50 -7.720 -15.126 9.001 1.00 0.41 C ATOM 774 C GLN A 50 -8.872 -15.091 7.994 1.00 0.29 C ATOM 775 O GLN A 50 -9.897 -15.737 8.202 1.00 0.47 O ATOM 776 CB GLN A 50 -7.739 -16.459 9.753 1.00 0.63 C ATOM 777 CG GLN A 50 -6.445 -16.788 10.476 1.00 0.78 C ATOM 778 CD GLN A 50 -6.690 -17.568 11.753 1.00 0.93 C ATOM 779 OE1 GLN A 50 -6.883 -18.783 11.725 1.00 0.94 O ATOM 780 NE2 GLN A 50 -6.680 -16.878 12.881 1.00 1.07 N ATOM 0 H GLN A 50 -7.004 -13.359 9.877 1.00 0.30 H new ATOM 0 HA GLN A 50 -6.781 -15.032 8.455 1.00 0.41 H new ATOM 0 HB2 GLN A 50 -8.552 -16.442 10.478 1.00 0.63 H new ATOM 0 HB3 GLN A 50 -7.960 -17.258 9.046 1.00 0.63 H new ATOM 0 HG2 GLN A 50 -5.798 -17.366 9.816 1.00 0.78 H new ATOM 0 HG3 GLN A 50 -5.916 -15.864 10.711 1.00 0.78 H new ATOM 0 HE21 GLN A 50 -6.516 -15.871 12.862 1.00 1.07 H new ATOM 0 HE22 GLN A 50 -6.836 -17.352 13.770 1.00 1.07 H new ATOM 789 N PRO A 51 -8.720 -14.331 6.889 1.00 0.11 N ATOM 790 CA PRO A 51 -9.760 -14.228 5.856 1.00 0.09 C ATOM 791 C PRO A 51 -10.129 -15.592 5.270 1.00 0.05 C ATOM 792 O PRO A 51 -11.293 -15.978 5.263 1.00 0.20 O ATOM 793 CB PRO A 51 -9.133 -13.326 4.781 1.00 0.32 C ATOM 794 CG PRO A 51 -7.673 -13.285 5.088 1.00 0.44 C ATOM 795 CD PRO A 51 -7.544 -13.508 6.568 1.00 0.34 C ATOM 0 HA PRO A 51 -10.691 -13.829 6.260 1.00 0.09 H new ATOM 0 HB2 PRO A 51 -9.312 -13.725 3.782 1.00 0.32 H new ATOM 0 HB3 PRO A 51 -9.567 -12.326 4.807 1.00 0.32 H new ATOM 0 HG2 PRO A 51 -7.137 -14.054 4.531 1.00 0.44 H new ATOM 0 HG3 PRO A 51 -7.243 -12.326 4.801 1.00 0.44 H new ATOM 0 HD2 PRO A 51 -6.615 -14.019 6.818 1.00 0.34 H new ATOM 0 HD3 PRO A 51 -7.549 -12.567 7.119 1.00 0.34 H new ATOM 803 N MET A 52 -9.129 -16.311 4.774 1.00 0.10 N ATOM 804 CA MET A 52 -9.352 -17.633 4.203 1.00 0.14 C ATOM 805 C MET A 52 -8.473 -18.656 4.906 1.00 0.14 C ATOM 806 O MET A 52 -8.266 -19.762 4.403 1.00 0.16 O ATOM 807 CB MET A 52 -9.057 -17.639 2.702 1.00 0.25 C ATOM 808 CG MET A 52 -10.022 -16.800 1.878 1.00 0.17 C ATOM 809 SD MET A 52 -10.029 -17.259 0.132 1.00 0.22 S ATOM 810 CE MET A 52 -11.020 -18.754 0.171 1.00 1.11 C ATOM 0 H MET A 52 -8.157 -16.001 4.756 1.00 0.10 H new ATOM 0 HA MET A 52 -10.400 -17.895 4.347 1.00 0.14 H new ATOM 0 HB2 MET A 52 -8.043 -17.272 2.540 1.00 0.25 H new ATOM 0 HB3 MET A 52 -9.086 -18.667 2.341 1.00 0.25 H new ATOM 0 HG2 MET A 52 -11.028 -16.909 2.282 1.00 0.17 H new ATOM 0 HG3 MET A 52 -9.753 -15.748 1.972 1.00 0.17 H new ATOM 0 HE1 MET A 52 -10.563 -19.510 -0.467 1.00 1.11 H new ATOM 0 HE2 MET A 52 -11.076 -19.127 1.194 1.00 1.11 H new ATOM 0 HE3 MET A 52 -12.025 -18.534 -0.190 1.00 1.11 H new ATOM 820 N LEU A 53 -7.965 -18.266 6.081 1.00 0.15 N ATOM 821 CA LEU A 53 -7.097 -19.121 6.892 1.00 0.17 C ATOM 822 C LEU A 53 -5.920 -19.654 6.075 1.00 0.20 C ATOM 823 O LEU A 53 -5.665 -20.857 6.050 1.00 0.41 O ATOM 824 CB LEU A 53 -7.894 -20.289 7.494 1.00 0.19 C ATOM 825 CG LEU A 53 -8.696 -19.961 8.761 1.00 0.36 C ATOM 826 CD1 LEU A 53 -9.965 -19.194 8.419 1.00 0.31 C ATOM 827 CD2 LEU A 53 -9.030 -21.235 9.523 1.00 0.51 C ATOM 0 H LEU A 53 -8.145 -17.351 6.494 1.00 0.15 H new ATOM 0 HA LEU A 53 -6.699 -18.511 7.703 1.00 0.17 H new ATOM 0 HB2 LEU A 53 -8.582 -20.664 6.737 1.00 0.19 H new ATOM 0 HB3 LEU A 53 -7.201 -21.098 7.724 1.00 0.19 H new ATOM 0 HG LEU A 53 -8.080 -19.327 9.398 1.00 0.36 H new ATOM 0 HD11 LEU A 53 -10.515 -18.974 9.334 1.00 0.31 H new ATOM 0 HD12 LEU A 53 -9.703 -18.261 7.920 1.00 0.31 H new ATOM 0 HD13 LEU A 53 -10.587 -19.797 7.758 1.00 0.31 H new ATOM 0 HD21 LEU A 53 -9.599 -20.985 10.419 1.00 0.51 H new ATOM 0 HD22 LEU A 53 -9.623 -21.893 8.889 1.00 0.51 H new ATOM 0 HD23 LEU A 53 -8.108 -21.741 9.808 1.00 0.51 H new ATOM 839 N ASP A 54 -5.203 -18.752 5.416 1.00 0.04 N ATOM 840 CA ASP A 54 -4.058 -19.139 4.599 1.00 0.08 C ATOM 841 C ASP A 54 -3.100 -17.964 4.451 1.00 0.06 C ATOM 842 O ASP A 54 -3.533 -16.812 4.433 1.00 0.07 O ATOM 843 CB ASP A 54 -4.529 -19.618 3.225 1.00 0.12 C ATOM 844 CG ASP A 54 -3.487 -20.454 2.514 1.00 0.14 C ATOM 845 OD1 ASP A 54 -2.668 -21.103 3.200 1.00 0.21 O ATOM 846 OD2 ASP A 54 -3.487 -20.472 1.268 1.00 0.47 O1- ATOM 0 H ASP A 54 -5.393 -17.750 5.431 1.00 0.04 H new ATOM 0 HA ASP A 54 -3.533 -19.957 5.092 1.00 0.08 H new ATOM 0 HB2 ASP A 54 -5.442 -20.202 3.341 1.00 0.12 H new ATOM 0 HB3 ASP A 54 -4.779 -18.754 2.609 1.00 0.12 H new ATOM 851 N VAL A 55 -1.809 -18.260 4.342 1.00 0.06 N ATOM 852 CA VAL A 55 -0.779 -17.225 4.218 1.00 0.07 C ATOM 853 C VAL A 55 -0.931 -16.387 2.934 1.00 0.06 C ATOM 854 O VAL A 55 -1.042 -15.163 3.016 1.00 0.06 O ATOM 855 CB VAL A 55 0.648 -17.822 4.290 1.00 0.09 C ATOM 856 CG1 VAL A 55 1.695 -16.717 4.355 1.00 0.08 C ATOM 857 CG2 VAL A 55 0.781 -18.753 5.486 1.00 0.13 C ATOM 0 H VAL A 55 -1.446 -19.213 4.337 1.00 0.06 H new ATOM 0 HA VAL A 55 -0.925 -16.560 5.070 1.00 0.07 H new ATOM 0 HB VAL A 55 0.819 -18.401 3.382 1.00 0.09 H new ATOM 0 HG11 VAL A 55 2.689 -17.160 4.405 1.00 0.08 H new ATOM 0 HG12 VAL A 55 1.621 -16.092 3.465 1.00 0.08 H new ATOM 0 HG13 VAL A 55 1.525 -16.106 5.242 1.00 0.08 H new ATOM 0 HG21 VAL A 55 1.791 -19.162 5.518 1.00 0.13 H new ATOM 0 HG22 VAL A 55 0.585 -18.197 6.403 1.00 0.13 H new ATOM 0 HG23 VAL A 55 0.063 -19.568 5.395 1.00 0.13 H new ATOM 867 N PRO A 56 -0.932 -17.002 1.729 1.00 0.05 N ATOM 868 CA PRO A 56 -1.082 -16.249 0.474 1.00 0.04 C ATOM 869 C PRO A 56 -2.392 -15.462 0.413 1.00 0.04 C ATOM 870 O PRO A 56 -2.472 -14.425 -0.244 1.00 0.04 O ATOM 871 CB PRO A 56 -1.057 -17.323 -0.618 1.00 0.05 C ATOM 872 CG PRO A 56 -1.306 -18.611 0.086 1.00 0.06 C ATOM 873 CD PRO A 56 -0.763 -18.443 1.475 1.00 0.06 C ATOM 0 HA PRO A 56 -0.294 -15.504 0.367 1.00 0.04 H new ATOM 0 HB2 PRO A 56 -1.821 -17.134 -1.372 1.00 0.05 H new ATOM 0 HB3 PRO A 56 -0.097 -17.337 -1.133 1.00 0.05 H new ATOM 0 HG2 PRO A 56 -2.371 -18.841 0.110 1.00 0.06 H new ATOM 0 HG3 PRO A 56 -0.813 -19.436 -0.427 1.00 0.06 H new ATOM 0 HD2 PRO A 56 -1.312 -19.047 2.198 1.00 0.06 H new ATOM 0 HD3 PRO A 56 0.283 -18.743 1.538 1.00 0.06 H new ATOM 881 N LYS A 57 -3.410 -15.945 1.119 1.00 0.05 N ATOM 882 CA LYS A 57 -4.710 -15.279 1.141 1.00 0.05 C ATOM 883 C LYS A 57 -4.718 -14.154 2.174 1.00 0.06 C ATOM 884 O LYS A 57 -5.696 -13.421 2.308 1.00 0.08 O ATOM 885 CB LYS A 57 -5.825 -16.278 1.456 1.00 0.06 C ATOM 886 CG LYS A 57 -5.869 -17.476 0.519 1.00 0.09 C ATOM 887 CD LYS A 57 -5.946 -17.054 -0.940 1.00 0.11 C ATOM 888 CE LYS A 57 -6.368 -18.210 -1.826 1.00 0.12 C ATOM 889 NZ LYS A 57 -5.733 -18.143 -3.168 1.00 0.10 N1+ ATOM 0 H LYS A 57 -3.361 -16.794 1.683 1.00 0.05 H new ATOM 0 HA LYS A 57 -4.888 -14.855 0.153 1.00 0.05 H new ATOM 0 HB2 LYS A 57 -5.700 -16.634 2.479 1.00 0.06 H new ATOM 0 HB3 LYS A 57 -6.784 -15.761 1.413 1.00 0.06 H new ATOM 0 HG2 LYS A 57 -4.981 -18.090 0.673 1.00 0.09 H new ATOM 0 HG3 LYS A 57 -6.731 -18.096 0.763 1.00 0.09 H new ATOM 0 HD2 LYS A 57 -6.656 -16.233 -1.047 1.00 0.11 H new ATOM 0 HD3 LYS A 57 -4.975 -16.680 -1.264 1.00 0.11 H new ATOM 0 HE2 LYS A 57 -6.102 -19.151 -1.345 1.00 0.12 H new ATOM 0 HE3 LYS A 57 -7.452 -18.205 -1.937 1.00 0.12 H new ATOM 0 HZ1 LYS A 57 -6.048 -18.951 -3.742 1.00 0.10 H new ATOM 0 HZ2 LYS A 57 -6.007 -17.257 -3.638 1.00 0.10 H new ATOM 0 HZ3 LYS A 57 -4.699 -18.174 -3.065 1.00 0.10 H new ATOM 903 N LEU A 58 -3.619 -14.036 2.904 1.00 0.05 N ATOM 904 CA LEU A 58 -3.473 -13.015 3.929 1.00 0.06 C ATOM 905 C LEU A 58 -2.646 -11.845 3.409 1.00 0.06 C ATOM 906 O LEU A 58 -3.005 -10.683 3.595 1.00 0.08 O ATOM 907 CB LEU A 58 -2.791 -13.615 5.162 1.00 0.06 C ATOM 908 CG LEU A 58 -2.826 -12.752 6.421 1.00 0.11 C ATOM 909 CD1 LEU A 58 -4.054 -13.084 7.248 1.00 0.07 C ATOM 910 CD2 LEU A 58 -1.556 -12.948 7.232 1.00 0.17 C ATOM 0 H LEU A 58 -2.806 -14.644 2.803 1.00 0.05 H new ATOM 0 HA LEU A 58 -4.464 -12.650 4.198 1.00 0.06 H new ATOM 0 HB2 LEU A 58 -3.262 -14.572 5.386 1.00 0.06 H new ATOM 0 HB3 LEU A 58 -1.750 -13.823 4.914 1.00 0.06 H new ATOM 0 HG LEU A 58 -2.883 -11.703 6.129 1.00 0.11 H new ATOM 0 HD11 LEU A 58 -4.069 -12.463 8.143 1.00 0.07 H new ATOM 0 HD12 LEU A 58 -4.951 -12.893 6.659 1.00 0.07 H new ATOM 0 HD13 LEU A 58 -4.025 -14.135 7.536 1.00 0.07 H new ATOM 0 HD21 LEU A 58 -1.596 -12.326 8.126 1.00 0.17 H new ATOM 0 HD22 LEU A 58 -1.467 -13.995 7.522 1.00 0.17 H new ATOM 0 HD23 LEU A 58 -0.693 -12.664 6.631 1.00 0.17 H new ATOM 922 N ALA A 59 -1.546 -12.170 2.739 1.00 0.05 N ATOM 923 CA ALA A 59 -0.634 -11.165 2.195 1.00 0.06 C ATOM 924 C ALA A 59 -1.282 -10.324 1.096 1.00 0.08 C ATOM 925 O ALA A 59 -0.822 -9.222 0.797 1.00 0.11 O ATOM 926 CB ALA A 59 0.627 -11.840 1.683 1.00 0.06 C ATOM 0 H ALA A 59 -1.260 -13.132 2.557 1.00 0.05 H new ATOM 0 HA ALA A 59 -0.377 -10.479 3.002 1.00 0.06 H new ATOM 0 HB1 ALA A 59 1.304 -11.087 1.278 1.00 0.06 H new ATOM 0 HB2 ALA A 59 1.117 -12.366 2.503 1.00 0.06 H new ATOM 0 HB3 ALA A 59 0.366 -12.552 0.900 1.00 0.06 H new ATOM 932 N VAL A 60 -2.341 -10.842 0.491 1.00 0.05 N ATOM 933 CA VAL A 60 -3.038 -10.105 -0.560 1.00 0.07 C ATOM 934 C VAL A 60 -3.994 -9.086 0.052 1.00 0.07 C ATOM 935 O VAL A 60 -4.312 -8.064 -0.562 1.00 0.08 O ATOM 936 CB VAL A 60 -3.837 -11.019 -1.523 1.00 0.07 C ATOM 937 CG1 VAL A 60 -2.911 -11.922 -2.324 1.00 0.07 C ATOM 938 CG2 VAL A 60 -4.871 -11.846 -0.776 1.00 0.08 C ATOM 0 H VAL A 60 -2.735 -11.758 0.704 1.00 0.05 H new ATOM 0 HA VAL A 60 -2.262 -9.608 -1.142 1.00 0.07 H new ATOM 0 HB VAL A 60 -4.365 -10.368 -2.220 1.00 0.07 H new ATOM 0 HG11 VAL A 60 -3.502 -12.551 -2.990 1.00 0.07 H new ATOM 0 HG12 VAL A 60 -2.227 -11.311 -2.914 1.00 0.07 H new ATOM 0 HG13 VAL A 60 -2.339 -12.552 -1.643 1.00 0.07 H new ATOM 0 HG21 VAL A 60 -5.413 -12.475 -1.482 1.00 0.08 H new ATOM 0 HG22 VAL A 60 -4.371 -12.475 -0.039 1.00 0.08 H new ATOM 0 HG23 VAL A 60 -5.572 -11.182 -0.270 1.00 0.08 H new ATOM 948 N LEU A 61 -4.436 -9.363 1.273 1.00 0.07 N ATOM 949 CA LEU A 61 -5.367 -8.489 1.971 1.00 0.08 C ATOM 950 C LEU A 61 -4.651 -7.245 2.482 1.00 0.08 C ATOM 951 O LEU A 61 -5.201 -6.146 2.458 1.00 0.08 O ATOM 952 CB LEU A 61 -6.023 -9.237 3.134 1.00 0.10 C ATOM 953 CG LEU A 61 -7.421 -8.745 3.518 1.00 0.10 C ATOM 954 CD1 LEU A 61 -8.444 -9.130 2.459 1.00 0.11 C ATOM 955 CD2 LEU A 61 -7.826 -9.302 4.872 1.00 0.07 C ATOM 0 H LEU A 61 -4.162 -10.191 1.801 1.00 0.07 H new ATOM 0 HA LEU A 61 -6.142 -8.179 1.270 1.00 0.08 H new ATOM 0 HB2 LEU A 61 -6.085 -10.294 2.876 1.00 0.10 H new ATOM 0 HB3 LEU A 61 -5.375 -9.159 4.007 1.00 0.10 H new ATOM 0 HG LEU A 61 -7.391 -7.657 3.582 1.00 0.10 H new ATOM 0 HD11 LEU A 61 -9.429 -8.769 2.756 1.00 0.11 H new ATOM 0 HD12 LEU A 61 -8.166 -8.683 1.505 1.00 0.11 H new ATOM 0 HD13 LEU A 61 -8.471 -10.215 2.357 1.00 0.11 H new ATOM 0 HD21 LEU A 61 -8.822 -8.943 5.130 1.00 0.07 H new ATOM 0 HD22 LEU A 61 -7.833 -10.391 4.830 1.00 0.07 H new ATOM 0 HD23 LEU A 61 -7.114 -8.972 5.629 1.00 0.07 H new ATOM 967 N THR A 62 -3.420 -7.425 2.932 1.00 0.10 N ATOM 968 CA THR A 62 -2.629 -6.322 3.445 1.00 0.11 C ATOM 969 C THR A 62 -2.297 -5.333 2.332 1.00 0.10 C ATOM 970 O THR A 62 -2.420 -4.120 2.506 1.00 0.13 O ATOM 971 CB THR A 62 -1.321 -6.834 4.073 1.00 0.13 C ATOM 972 OG1 THR A 62 -0.792 -7.900 3.281 1.00 0.12 O ATOM 973 CG2 THR A 62 -1.549 -7.330 5.484 1.00 0.15 C ATOM 0 H THR A 62 -2.947 -8.328 2.952 1.00 0.10 H new ATOM 0 HA THR A 62 -3.221 -5.819 4.209 1.00 0.11 H new ATOM 0 HB THR A 62 -0.615 -6.004 4.106 1.00 0.13 H new ATOM 0 HG1 THR A 62 0.042 -8.223 3.682 1.00 0.12 H new ATOM 0 HG21 THR A 62 -0.607 -7.685 5.901 1.00 0.15 H new ATOM 0 HG22 THR A 62 -1.934 -6.516 6.098 1.00 0.15 H new ATOM 0 HG23 THR A 62 -2.271 -8.147 5.470 1.00 0.15 H new ATOM 981 N ALA A 63 -1.900 -5.872 1.186 1.00 0.08 N ATOM 982 CA ALA A 63 -1.536 -5.064 0.028 1.00 0.08 C ATOM 983 C ALA A 63 -2.692 -4.186 -0.440 1.00 0.07 C ATOM 984 O ALA A 63 -2.526 -2.982 -0.650 1.00 0.08 O ATOM 985 CB ALA A 63 -1.072 -5.970 -1.106 1.00 0.08 C ATOM 0 H ALA A 63 -1.821 -6.877 1.033 1.00 0.08 H new ATOM 0 HA ALA A 63 -0.723 -4.401 0.325 1.00 0.08 H new ATOM 0 HB1 ALA A 63 -0.801 -5.362 -1.969 1.00 0.08 H new ATOM 0 HB2 ALA A 63 -0.205 -6.545 -0.781 1.00 0.08 H new ATOM 0 HB3 ALA A 63 -1.877 -6.651 -1.380 1.00 0.08 H new ATOM 991 N VAL A 64 -3.865 -4.786 -0.583 1.00 0.07 N ATOM 992 CA VAL A 64 -5.035 -4.061 -1.050 1.00 0.08 C ATOM 993 C VAL A 64 -5.549 -3.063 -0.005 1.00 0.09 C ATOM 994 O VAL A 64 -6.107 -2.022 -0.359 1.00 0.12 O ATOM 995 CB VAL A 64 -6.160 -5.036 -1.472 1.00 0.08 C ATOM 996 CG1 VAL A 64 -6.852 -5.647 -0.266 1.00 0.05 C ATOM 997 CG2 VAL A 64 -7.159 -4.339 -2.380 1.00 0.12 C ATOM 0 H VAL A 64 -4.030 -5.772 -0.382 1.00 0.07 H new ATOM 0 HA VAL A 64 -4.727 -3.488 -1.925 1.00 0.08 H new ATOM 0 HB VAL A 64 -5.701 -5.852 -2.030 1.00 0.08 H new ATOM 0 HG11 VAL A 64 -7.636 -6.326 -0.602 1.00 0.05 H new ATOM 0 HG12 VAL A 64 -6.125 -6.198 0.330 1.00 0.05 H new ATOM 0 HG13 VAL A 64 -7.293 -4.856 0.340 1.00 0.05 H new ATOM 0 HG21 VAL A 64 -7.942 -5.041 -2.666 1.00 0.12 H new ATOM 0 HG22 VAL A 64 -7.603 -3.495 -1.852 1.00 0.12 H new ATOM 0 HG23 VAL A 64 -6.649 -3.980 -3.274 1.00 0.12 H new ATOM 1007 N GLN A 65 -5.341 -3.363 1.276 1.00 0.08 N ATOM 1008 CA GLN A 65 -5.794 -2.473 2.344 1.00 0.09 C ATOM 1009 C GLN A 65 -4.907 -1.236 2.430 1.00 0.07 C ATOM 1010 O GLN A 65 -5.394 -0.125 2.644 1.00 0.12 O ATOM 1011 CB GLN A 65 -5.809 -3.193 3.693 1.00 0.10 C ATOM 1012 CG GLN A 65 -6.786 -2.577 4.690 1.00 0.10 C ATOM 1013 CD GLN A 65 -6.292 -2.648 6.121 1.00 0.24 C ATOM 1014 OE1 GLN A 65 -5.092 -2.588 6.383 1.00 0.81 O ATOM 1015 NE2 GLN A 65 -7.215 -2.778 7.062 1.00 0.31 N ATOM 0 H GLN A 65 -4.867 -4.207 1.598 1.00 0.08 H new ATOM 0 HA GLN A 65 -6.811 -2.164 2.104 1.00 0.09 H new ATOM 0 HB2 GLN A 65 -6.071 -4.240 3.537 1.00 0.10 H new ATOM 0 HB3 GLN A 65 -4.806 -3.175 4.119 1.00 0.10 H new ATOM 0 HG2 GLN A 65 -6.961 -1.535 4.423 1.00 0.10 H new ATOM 0 HG3 GLN A 65 -7.745 -3.090 4.616 1.00 0.10 H new ATOM 0 HE21 GLN A 65 -8.201 -2.824 6.806 1.00 0.31 H new ATOM 0 HE22 GLN A 65 -6.940 -2.832 8.043 1.00 0.31 H new ATOM 1024 N ILE A 66 -3.605 -1.431 2.261 1.00 0.02 N ATOM 1025 CA ILE A 66 -2.656 -0.327 2.310 1.00 0.03 C ATOM 1026 C ILE A 66 -2.924 0.650 1.168 1.00 0.05 C ATOM 1027 O ILE A 66 -2.914 1.870 1.354 1.00 0.18 O ATOM 1028 CB ILE A 66 -1.198 -0.838 2.231 1.00 0.10 C ATOM 1029 CG1 ILE A 66 -0.843 -1.616 3.500 1.00 0.74 C ATOM 1030 CG2 ILE A 66 -0.226 0.316 2.027 1.00 0.71 C ATOM 1031 CD1 ILE A 66 0.443 -2.407 3.392 1.00 1.29 C ATOM 0 H ILE A 66 -3.183 -2.343 2.089 1.00 0.02 H new ATOM 0 HA ILE A 66 -2.788 0.186 3.263 1.00 0.03 H new ATOM 0 HB ILE A 66 -1.115 -1.505 1.373 1.00 0.10 H new ATOM 0 HG12 ILE A 66 -0.760 -0.917 4.332 1.00 0.74 H new ATOM 0 HG13 ILE A 66 -1.659 -2.298 3.737 1.00 0.74 H new ATOM 0 HG21 ILE A 66 0.792 -0.070 1.975 1.00 0.71 H new ATOM 0 HG22 ILE A 66 -0.466 0.834 1.098 1.00 0.71 H new ATOM 0 HG23 ILE A 66 -0.307 1.012 2.862 1.00 0.71 H new ATOM 0 HD11 ILE A 66 0.628 -2.931 4.330 1.00 1.29 H new ATOM 0 HD12 ILE A 66 0.358 -3.131 2.582 1.00 1.29 H new ATOM 0 HD13 ILE A 66 1.271 -1.729 3.186 1.00 1.29 H new ATOM 1043 N ALA A 67 -3.195 0.097 -0.009 1.00 0.07 N ATOM 1044 CA ALA A 67 -3.464 0.896 -1.197 1.00 0.05 C ATOM 1045 C ALA A 67 -4.714 1.757 -1.030 1.00 0.04 C ATOM 1046 O ALA A 67 -4.706 2.938 -1.365 1.00 0.03 O ATOM 1047 CB ALA A 67 -3.605 -0.007 -2.414 1.00 0.06 C ATOM 0 H ALA A 67 -3.234 -0.910 -0.165 1.00 0.07 H new ATOM 0 HA ALA A 67 -2.619 1.568 -1.343 1.00 0.05 H new ATOM 0 HB1 ALA A 67 -3.806 0.600 -3.296 1.00 0.06 H new ATOM 0 HB2 ALA A 67 -2.681 -0.566 -2.561 1.00 0.06 H new ATOM 0 HB3 ALA A 67 -4.429 -0.703 -2.257 1.00 0.06 H new ATOM 1053 N SER A 68 -5.776 1.170 -0.494 1.00 0.05 N ATOM 1054 CA SER A 68 -7.033 1.887 -0.311 1.00 0.07 C ATOM 1055 C SER A 68 -6.936 2.939 0.796 1.00 0.08 C ATOM 1056 O SER A 68 -7.404 4.069 0.632 1.00 0.12 O ATOM 1057 CB SER A 68 -8.158 0.898 -0.002 1.00 0.07 C ATOM 1058 OG SER A 68 -7.684 -0.196 0.766 1.00 0.04 O ATOM 0 H SER A 68 -5.793 0.200 -0.178 1.00 0.05 H new ATOM 0 HA SER A 68 -7.253 2.411 -1.241 1.00 0.07 H new ATOM 0 HB2 SER A 68 -8.955 1.408 0.540 1.00 0.07 H new ATOM 0 HB3 SER A 68 -8.590 0.532 -0.934 1.00 0.07 H new ATOM 0 HG SER A 68 -7.301 -0.873 0.170 1.00 0.04 H new ATOM 1064 N GLU A 69 -6.319 2.568 1.910 1.00 0.08 N ATOM 1065 CA GLU A 69 -6.177 3.475 3.047 1.00 0.14 C ATOM 1066 C GLU A 69 -5.378 4.725 2.688 1.00 0.10 C ATOM 1067 O GLU A 69 -5.733 5.833 3.100 1.00 0.10 O ATOM 1068 CB GLU A 69 -5.531 2.761 4.238 1.00 0.19 C ATOM 1069 CG GLU A 69 -6.543 2.286 5.265 1.00 0.29 C ATOM 1070 CD GLU A 69 -7.318 3.437 5.868 1.00 0.63 C ATOM 1071 OE1 GLU A 69 -6.784 4.106 6.777 1.00 0.79 O1- ATOM 1072 OE2 GLU A 69 -8.451 3.709 5.411 1.00 0.82 O ATOM 0 H GLU A 69 -5.908 1.646 2.053 1.00 0.08 H new ATOM 0 HA GLU A 69 -7.182 3.792 3.326 1.00 0.14 H new ATOM 0 HB2 GLU A 69 -4.960 1.906 3.876 1.00 0.19 H new ATOM 0 HB3 GLU A 69 -4.823 3.436 4.719 1.00 0.19 H new ATOM 0 HG2 GLU A 69 -7.236 1.588 4.796 1.00 0.29 H new ATOM 0 HG3 GLU A 69 -6.029 1.741 6.056 1.00 0.29 H new ATOM 1079 N TYR A 70 -4.312 4.554 1.915 1.00 0.07 N ATOM 1080 CA TYR A 70 -3.477 5.684 1.518 1.00 0.04 C ATOM 1081 C TYR A 70 -4.054 6.407 0.306 1.00 0.03 C ATOM 1082 O TYR A 70 -3.677 7.544 0.015 1.00 0.04 O ATOM 1083 CB TYR A 70 -2.050 5.223 1.215 1.00 0.05 C ATOM 1084 CG TYR A 70 -1.128 5.259 2.415 1.00 0.18 C ATOM 1085 CD1 TYR A 70 -0.880 6.448 3.091 1.00 0.37 C ATOM 1086 CD2 TYR A 70 -0.505 4.104 2.869 1.00 0.36 C ATOM 1087 CE1 TYR A 70 -0.039 6.484 4.188 1.00 0.46 C ATOM 1088 CE2 TYR A 70 0.336 4.130 3.964 1.00 0.47 C ATOM 1089 CZ TYR A 70 0.568 5.322 4.620 1.00 0.44 C ATOM 1090 OH TYR A 70 1.405 5.351 5.713 1.00 0.58 O ATOM 0 H TYR A 70 -4.006 3.651 1.552 1.00 0.07 H new ATOM 0 HA TYR A 70 -3.457 6.382 2.355 1.00 0.04 H new ATOM 0 HB2 TYR A 70 -2.082 4.206 0.824 1.00 0.05 H new ATOM 0 HB3 TYR A 70 -1.634 5.854 0.430 1.00 0.05 H new ATOM 0 HD1 TYR A 70 -1.352 7.359 2.754 1.00 0.37 H new ATOM 0 HD2 TYR A 70 -0.681 3.170 2.357 1.00 0.36 H new ATOM 0 HE1 TYR A 70 0.142 7.416 4.704 1.00 0.46 H new ATOM 0 HE2 TYR A 70 0.810 3.222 4.306 1.00 0.47 H new ATOM 0 HH TYR A 70 1.749 4.450 5.886 1.00 0.58 H new ATOM 1100 N LEU A 71 -4.977 5.758 -0.390 1.00 0.07 N ATOM 1101 CA LEU A 71 -5.586 6.348 -1.575 1.00 0.11 C ATOM 1102 C LEU A 71 -6.432 7.559 -1.206 1.00 0.12 C ATOM 1103 O LEU A 71 -6.434 8.565 -1.917 1.00 0.16 O ATOM 1104 CB LEU A 71 -6.445 5.318 -2.309 1.00 0.13 C ATOM 1105 CG LEU A 71 -6.779 5.662 -3.774 1.00 0.14 C ATOM 1106 CD1 LEU A 71 -5.544 5.560 -4.663 1.00 0.12 C ATOM 1107 CD2 LEU A 71 -7.885 4.764 -4.318 1.00 0.23 C ATOM 0 H LEU A 71 -5.320 4.826 -0.156 1.00 0.07 H new ATOM 0 HA LEU A 71 -4.783 6.673 -2.236 1.00 0.11 H new ATOM 0 HB2 LEU A 71 -5.930 4.358 -2.287 1.00 0.13 H new ATOM 0 HB3 LEU A 71 -7.379 5.191 -1.761 1.00 0.13 H new ATOM 0 HG LEU A 71 -7.132 6.693 -3.787 1.00 0.14 H new ATOM 0 HD11 LEU A 71 -5.813 5.809 -5.690 1.00 0.12 H new ATOM 0 HD12 LEU A 71 -4.782 6.255 -4.309 1.00 0.12 H new ATOM 0 HD13 LEU A 71 -5.152 4.543 -4.627 1.00 0.12 H new ATOM 0 HD21 LEU A 71 -8.096 5.033 -5.353 1.00 0.23 H new ATOM 0 HD22 LEU A 71 -7.564 3.723 -4.272 1.00 0.23 H new ATOM 0 HD23 LEU A 71 -8.786 4.893 -3.719 1.00 0.23 H new ATOM 1119 N LYS A 72 -7.140 7.472 -0.087 1.00 0.13 N ATOM 1120 CA LYS A 72 -7.980 8.576 0.359 1.00 0.16 C ATOM 1121 C LYS A 72 -7.121 9.714 0.906 1.00 0.16 C ATOM 1122 O LYS A 72 -7.586 10.842 1.065 1.00 0.30 O ATOM 1123 CB LYS A 72 -8.997 8.106 1.408 1.00 0.18 C ATOM 1124 CG LYS A 72 -8.399 7.788 2.773 1.00 0.18 C ATOM 1125 CD LYS A 72 -9.473 7.370 3.772 1.00 0.22 C ATOM 1126 CE LYS A 72 -8.945 7.364 5.200 1.00 0.25 C ATOM 1127 NZ LYS A 72 -7.900 6.331 5.409 1.00 0.24 N1+ ATOM 0 H LYS A 72 -7.150 6.655 0.524 1.00 0.13 H new ATOM 0 HA LYS A 72 -8.537 8.949 -0.501 1.00 0.16 H new ATOM 0 HB2 LYS A 72 -9.757 8.878 1.530 1.00 0.18 H new ATOM 0 HB3 LYS A 72 -9.503 7.217 1.032 1.00 0.18 H new ATOM 0 HG2 LYS A 72 -7.664 6.989 2.672 1.00 0.18 H new ATOM 0 HG3 LYS A 72 -7.869 8.662 3.152 1.00 0.18 H new ATOM 0 HD2 LYS A 72 -10.321 8.051 3.701 1.00 0.22 H new ATOM 0 HD3 LYS A 72 -9.840 6.376 3.516 1.00 0.22 H new ATOM 0 HE2 LYS A 72 -8.535 8.346 5.438 1.00 0.25 H new ATOM 0 HE3 LYS A 72 -9.770 7.188 5.890 1.00 0.25 H new ATOM 0 HZ1 LYS A 72 -7.668 6.272 6.421 1.00 0.24 H new ATOM 0 HZ2 LYS A 72 -8.252 5.409 5.080 1.00 0.24 H new ATOM 0 HZ3 LYS A 72 -7.047 6.587 4.873 1.00 0.24 H new ATOM 1141 N LEU A 73 -5.856 9.415 1.178 1.00 0.03 N ATOM 1142 CA LEU A 73 -4.936 10.417 1.691 1.00 0.05 C ATOM 1143 C LEU A 73 -4.434 11.279 0.536 1.00 0.05 C ATOM 1144 O LEU A 73 -4.455 12.507 0.612 1.00 0.10 O ATOM 1145 CB LEU A 73 -3.765 9.741 2.432 1.00 0.14 C ATOM 1146 CG LEU A 73 -2.936 10.627 3.383 1.00 0.17 C ATOM 1147 CD1 LEU A 73 -2.002 11.544 2.610 1.00 0.18 C ATOM 1148 CD2 LEU A 73 -3.831 11.438 4.314 1.00 0.24 C ATOM 0 H LEU A 73 -5.447 8.489 1.052 1.00 0.03 H new ATOM 0 HA LEU A 73 -5.454 11.057 2.406 1.00 0.05 H new ATOM 0 HB2 LEU A 73 -4.165 8.907 3.008 1.00 0.14 H new ATOM 0 HB3 LEU A 73 -3.090 9.319 1.687 1.00 0.14 H new ATOM 0 HG LEU A 73 -2.329 9.960 3.996 1.00 0.17 H new ATOM 0 HD11 LEU A 73 -1.432 12.156 3.309 1.00 0.18 H new ATOM 0 HD12 LEU A 73 -1.317 10.944 2.010 1.00 0.18 H new ATOM 0 HD13 LEU A 73 -2.586 12.191 1.955 1.00 0.18 H new ATOM 0 HD21 LEU A 73 -3.213 12.051 4.970 1.00 0.24 H new ATOM 0 HD22 LEU A 73 -4.482 12.082 3.723 1.00 0.24 H new ATOM 0 HD23 LEU A 73 -4.438 10.762 4.915 1.00 0.24 H new ATOM 1160 N LYS A 74 -4.010 10.634 -0.551 1.00 0.10 N ATOM 1161 CA LYS A 74 -3.519 11.365 -1.715 1.00 0.18 C ATOM 1162 C LYS A 74 -4.664 12.125 -2.374 1.00 0.21 C ATOM 1163 O LYS A 74 -4.450 13.138 -3.042 1.00 0.29 O ATOM 1164 CB LYS A 74 -2.838 10.426 -2.722 1.00 0.23 C ATOM 1165 CG LYS A 74 -3.774 9.412 -3.372 1.00 0.11 C ATOM 1166 CD LYS A 74 -3.740 9.490 -4.894 1.00 0.18 C ATOM 1167 CE LYS A 74 -2.429 8.959 -5.459 1.00 0.26 C ATOM 1168 NZ LYS A 74 -2.385 9.028 -6.944 1.00 0.15 N1+ ATOM 0 H LYS A 74 -3.997 9.619 -0.648 1.00 0.10 H new ATOM 0 HA LYS A 74 -2.769 12.080 -1.377 1.00 0.18 H new ATOM 0 HB2 LYS A 74 -2.374 11.027 -3.504 1.00 0.23 H new ATOM 0 HB3 LYS A 74 -2.036 9.889 -2.215 1.00 0.23 H new ATOM 0 HG2 LYS A 74 -3.495 8.407 -3.055 1.00 0.11 H new ATOM 0 HG3 LYS A 74 -4.792 9.585 -3.024 1.00 0.11 H new ATOM 0 HD2 LYS A 74 -4.571 8.918 -5.306 1.00 0.18 H new ATOM 0 HD3 LYS A 74 -3.878 10.525 -5.208 1.00 0.18 H new ATOM 0 HE2 LYS A 74 -1.599 9.533 -5.046 1.00 0.26 H new ATOM 0 HE3 LYS A 74 -2.291 7.925 -5.141 1.00 0.26 H new ATOM 0 HZ1 LYS A 74 -1.475 8.656 -7.282 1.00 0.15 H new ATOM 0 HZ2 LYS A 74 -3.160 8.460 -7.341 1.00 0.15 H new ATOM 0 HZ3 LYS A 74 -2.490 10.017 -7.249 1.00 0.15 H new ATOM 1182 N GLU A 75 -5.878 11.631 -2.171 1.00 0.18 N ATOM 1183 CA GLU A 75 -7.057 12.270 -2.720 1.00 0.27 C ATOM 1184 C GLU A 75 -7.318 13.575 -1.977 1.00 0.23 C ATOM 1185 O GLU A 75 -7.599 14.602 -2.589 1.00 0.32 O ATOM 1186 CB GLU A 75 -8.268 11.345 -2.611 1.00 0.36 C ATOM 1187 CG GLU A 75 -9.501 11.866 -3.331 1.00 0.51 C ATOM 1188 CD GLU A 75 -9.282 12.046 -4.819 1.00 0.97 C ATOM 1189 OE1 GLU A 75 -9.081 11.030 -5.519 1.00 1.47 O ATOM 1190 OE2 GLU A 75 -9.329 13.203 -5.293 1.00 1.57 O1- ATOM 0 H GLU A 75 -6.068 10.788 -1.629 1.00 0.18 H new ATOM 0 HA GLU A 75 -6.888 12.484 -3.775 1.00 0.27 H new ATOM 0 HB2 GLU A 75 -8.006 10.368 -3.018 1.00 0.36 H new ATOM 0 HB3 GLU A 75 -8.508 11.198 -1.558 1.00 0.36 H new ATOM 0 HG2 GLU A 75 -10.328 11.174 -3.172 1.00 0.51 H new ATOM 0 HG3 GLU A 75 -9.795 12.820 -2.894 1.00 0.51 H new ATOM 1197 N GLU A 76 -7.197 13.530 -0.652 1.00 0.13 N ATOM 1198 CA GLU A 76 -7.406 14.713 0.175 1.00 0.10 C ATOM 1199 C GLU A 76 -6.368 15.783 -0.160 1.00 0.05 C ATOM 1200 O GLU A 76 -6.651 16.980 -0.096 1.00 0.03 O ATOM 1201 CB GLU A 76 -7.336 14.351 1.662 1.00 0.10 C ATOM 1202 CG GLU A 76 -7.896 15.430 2.578 1.00 0.19 C ATOM 1203 CD GLU A 76 -8.810 14.872 3.654 1.00 0.51 C ATOM 1204 OE1 GLU A 76 -9.772 14.154 3.312 1.00 0.59 O1- ATOM 1205 OE2 GLU A 76 -8.574 15.158 4.847 1.00 1.56 O ATOM 0 H GLU A 76 -6.956 12.688 -0.130 1.00 0.13 H new ATOM 0 HA GLU A 76 -8.399 15.110 -0.036 1.00 0.10 H new ATOM 0 HB2 GLU A 76 -7.885 13.424 1.828 1.00 0.10 H new ATOM 0 HB3 GLU A 76 -6.298 14.159 1.932 1.00 0.10 H new ATOM 0 HG2 GLU A 76 -7.071 15.964 3.050 1.00 0.19 H new ATOM 0 HG3 GLU A 76 -8.447 16.157 1.981 1.00 0.19 H new ATOM 1212 N TYR A 77 -5.168 15.337 -0.529 1.00 0.06 N ATOM 1213 CA TYR A 77 -4.081 16.240 -0.893 1.00 0.05 C ATOM 1214 C TYR A 77 -4.493 17.126 -2.069 1.00 0.07 C ATOM 1215 O TYR A 77 -4.470 18.356 -1.973 1.00 0.11 O ATOM 1216 CB TYR A 77 -2.821 15.426 -1.241 1.00 0.09 C ATOM 1217 CG TYR A 77 -1.746 16.198 -1.987 1.00 0.12 C ATOM 1218 CD1 TYR A 77 -1.400 17.490 -1.617 1.00 0.14 C ATOM 1219 CD2 TYR A 77 -1.074 15.625 -3.059 1.00 0.12 C ATOM 1220 CE1 TYR A 77 -0.418 18.190 -2.287 1.00 0.17 C ATOM 1221 CE2 TYR A 77 -0.088 16.317 -3.738 1.00 0.16 C ATOM 1222 CZ TYR A 77 0.236 17.601 -3.348 1.00 0.18 C ATOM 1223 OH TYR A 77 1.216 18.296 -4.020 1.00 0.21 O ATOM 0 H TYR A 77 -4.925 14.348 -0.583 1.00 0.06 H new ATOM 0 HA TYR A 77 -3.858 16.886 -0.044 1.00 0.05 H new ATOM 0 HB2 TYR A 77 -2.393 15.035 -0.318 1.00 0.09 H new ATOM 0 HB3 TYR A 77 -3.116 14.567 -1.844 1.00 0.09 H new ATOM 0 HD1 TYR A 77 -1.910 17.957 -0.787 1.00 0.14 H new ATOM 0 HD2 TYR A 77 -1.326 14.621 -3.368 1.00 0.12 H new ATOM 0 HE1 TYR A 77 -0.163 19.194 -1.982 1.00 0.17 H new ATOM 0 HE2 TYR A 77 0.426 15.856 -4.569 1.00 0.16 H new ATOM 0 HH TYR A 77 1.578 17.738 -4.740 1.00 0.21 H new ATOM 1233 N GLN A 78 -4.891 16.498 -3.166 1.00 0.10 N ATOM 1234 CA GLN A 78 -5.292 17.245 -4.351 1.00 0.13 C ATOM 1235 C GLN A 78 -6.643 17.923 -4.148 1.00 0.06 C ATOM 1236 O GLN A 78 -6.919 18.948 -4.767 1.00 0.08 O ATOM 1237 CB GLN A 78 -5.304 16.362 -5.604 1.00 0.19 C ATOM 1238 CG GLN A 78 -6.199 15.136 -5.527 1.00 0.23 C ATOM 1239 CD GLN A 78 -6.265 14.403 -6.850 1.00 0.31 C ATOM 1240 OE1 GLN A 78 -5.352 14.507 -7.676 1.00 0.51 O ATOM 1241 NE2 GLN A 78 -7.327 13.647 -7.062 1.00 0.26 N ATOM 0 H GLN A 78 -4.945 15.484 -3.261 1.00 0.10 H new ATOM 0 HA GLN A 78 -4.545 18.023 -4.507 1.00 0.13 H new ATOM 0 HB2 GLN A 78 -5.619 16.969 -6.453 1.00 0.19 H new ATOM 0 HB3 GLN A 78 -4.284 16.035 -5.807 1.00 0.19 H new ATOM 0 HG2 GLN A 78 -5.826 14.462 -4.756 1.00 0.23 H new ATOM 0 HG3 GLN A 78 -7.203 15.437 -5.228 1.00 0.23 H new ATOM 0 HE21 GLN A 78 -8.060 13.587 -6.355 1.00 0.26 H new ATOM 0 HE22 GLN A 78 -7.414 13.123 -7.933 1.00 0.26 H new ATOM 1250 N ARG A 79 -7.463 17.370 -3.257 1.00 0.04 N ATOM 1251 CA ARG A 79 -8.779 17.941 -2.966 1.00 0.11 C ATOM 1252 C ARG A 79 -8.614 19.293 -2.288 1.00 0.17 C ATOM 1253 O ARG A 79 -9.424 20.204 -2.457 1.00 0.29 O ATOM 1254 CB ARG A 79 -9.592 17.012 -2.058 1.00 0.18 C ATOM 1255 CG ARG A 79 -10.509 16.058 -2.805 1.00 0.46 C ATOM 1256 CD ARG A 79 -11.076 14.997 -1.877 1.00 0.78 C ATOM 1257 NE ARG A 79 -11.659 15.582 -0.668 1.00 1.20 N ATOM 1258 CZ ARG A 79 -11.402 15.152 0.570 1.00 0.98 C ATOM 1259 NH1 ARG A 79 -10.641 14.084 0.766 1.00 0.63 N1+ ATOM 1260 NH2 ARG A 79 -11.930 15.773 1.617 1.00 1.78 N ATOM 0 H ARG A 79 -7.241 16.529 -2.724 1.00 0.04 H new ATOM 0 HA ARG A 79 -9.314 18.062 -3.908 1.00 0.11 H new ATOM 0 HB2 ARG A 79 -8.905 16.431 -1.443 1.00 0.18 H new ATOM 0 HB3 ARG A 79 -10.192 17.619 -1.380 1.00 0.18 H new ATOM 0 HG2 ARG A 79 -11.325 16.618 -3.262 1.00 0.46 H new ATOM 0 HG3 ARG A 79 -9.958 15.579 -3.614 1.00 0.46 H new ATOM 0 HD2 ARG A 79 -11.837 14.422 -2.405 1.00 0.78 H new ATOM 0 HD3 ARG A 79 -10.286 14.300 -1.598 1.00 0.78 H new ATOM 0 HE ARG A 79 -12.301 16.367 -0.778 1.00 1.20 H new ATOM 0 HH11 ARG A 79 -10.247 13.585 -0.032 1.00 0.63 H new ATOM 0 HH12 ARG A 79 -10.449 13.762 1.714 1.00 0.63 H new ATOM 0 HH21 ARG A 79 -12.535 16.582 1.478 1.00 1.78 H new ATOM 0 HH22 ARG A 79 -11.731 15.441 2.561 1.00 1.78 H new ATOM 1274 N LEU A 80 -7.551 19.399 -1.512 1.00 0.11 N ATOM 1275 CA LEU A 80 -7.234 20.616 -0.789 1.00 0.17 C ATOM 1276 C LEU A 80 -6.670 21.675 -1.727 1.00 0.18 C ATOM 1277 O LEU A 80 -7.053 22.845 -1.664 1.00 0.22 O ATOM 1278 CB LEU A 80 -6.225 20.303 0.316 1.00 0.19 C ATOM 1279 CG LEU A 80 -5.517 21.522 0.916 1.00 0.22 C ATOM 1280 CD1 LEU A 80 -6.153 21.917 2.239 1.00 0.25 C ATOM 1281 CD2 LEU A 80 -4.029 21.246 1.093 1.00 0.23 C ATOM 0 H LEU A 80 -6.883 18.643 -1.365 1.00 0.11 H new ATOM 0 HA LEU A 80 -8.150 21.009 -0.347 1.00 0.17 H new ATOM 0 HB2 LEU A 80 -6.740 19.771 1.116 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -5.471 19.625 -0.084 1.00 0.19 H new ATOM 0 HG LEU A 80 -5.629 22.356 0.224 1.00 0.22 H new ATOM 0 HD11 LEU A 80 -5.635 22.785 2.647 1.00 0.25 H new ATOM 0 HD12 LEU A 80 -7.203 22.164 2.079 1.00 0.25 H new ATOM 0 HD13 LEU A 80 -6.078 21.086 2.941 1.00 0.25 H new ATOM 0 HD21 LEU A 80 -3.544 22.124 1.520 1.00 0.23 H new ATOM 0 HD22 LEU A 80 -3.894 20.396 1.761 1.00 0.23 H new ATOM 0 HD23 LEU A 80 -3.583 21.021 0.124 1.00 0.23 H new ATOM 1293 N ARG A 81 -5.769 21.260 -2.608 1.00 0.17 N ATOM 1294 CA ARG A 81 -5.145 22.182 -3.546 1.00 0.21 C ATOM 1295 C ARG A 81 -6.147 22.672 -4.586 1.00 0.22 C ATOM 1296 O ARG A 81 -6.162 23.855 -4.924 1.00 0.31 O ATOM 1297 CB ARG A 81 -3.943 21.531 -4.230 1.00 0.21 C ATOM 1298 CG ARG A 81 -2.856 21.087 -3.261 1.00 0.25 C ATOM 1299 CD ARG A 81 -1.485 21.610 -3.667 1.00 0.43 C ATOM 1300 NE ARG A 81 -1.300 23.023 -3.322 1.00 0.50 N ATOM 1301 CZ ARG A 81 -0.178 23.707 -3.558 1.00 0.50 C ATOM 1302 NH1 ARG A 81 0.843 23.122 -4.173 1.00 0.71 N1+ ATOM 1303 NH2 ARG A 81 -0.076 24.981 -3.193 1.00 0.54 N ATOM 0 H ARG A 81 -5.455 20.293 -2.692 1.00 0.17 H new ATOM 0 HA ARG A 81 -4.795 23.045 -2.979 1.00 0.21 H new ATOM 0 HB2 ARG A 81 -4.284 20.667 -4.800 1.00 0.21 H new ATOM 0 HB3 ARG A 81 -3.516 22.236 -4.944 1.00 0.21 H new ATOM 0 HG2 ARG A 81 -3.097 21.440 -2.258 1.00 0.25 H new ATOM 0 HG3 ARG A 81 -2.831 19.998 -3.218 1.00 0.25 H new ATOM 0 HD2 ARG A 81 -0.713 21.016 -3.178 1.00 0.43 H new ATOM 0 HD3 ARG A 81 -1.354 21.481 -4.741 1.00 0.43 H new ATOM 0 HE ARG A 81 -2.075 23.513 -2.875 1.00 0.50 H new ATOM 0 HH11 ARG A 81 0.771 22.148 -4.466 1.00 0.71 H new ATOM 0 HH12 ARG A 81 1.699 23.647 -4.352 1.00 0.71 H new ATOM 0 HH21 ARG A 81 -0.858 25.443 -2.729 1.00 0.54 H new ATOM 0 HH22 ARG A 81 0.785 25.497 -3.377 1.00 0.54 H new ATOM 1551 N THR B 10 -17.990 1.396 5.556 1.00 0.33 N ATOM 1552 CA THR B 10 -18.667 0.262 4.954 1.00 0.31 C ATOM 1553 C THR B 10 -17.642 -0.721 4.383 1.00 0.23 C ATOM 1554 O THR B 10 -16.489 -0.356 4.134 1.00 0.23 O ATOM 1555 CB THR B 10 -19.650 0.724 3.847 1.00 0.36 C ATOM 1556 OG1 THR B 10 -20.597 -0.309 3.550 1.00 0.42 O ATOM 1557 CG2 THR B 10 -18.911 1.117 2.575 1.00 0.28 C ATOM 0 HA THR B 10 -19.246 -0.242 5.728 1.00 0.31 H new ATOM 0 HB THR B 10 -20.177 1.600 4.226 1.00 0.36 H new ATOM 0 HG1 THR B 10 -21.210 0.000 2.851 1.00 0.42 H new ATOM 0 HG21 THR B 10 -19.630 1.436 1.820 1.00 0.28 H new ATOM 0 HG22 THR B 10 -18.225 1.936 2.791 1.00 0.28 H new ATOM 0 HG23 THR B 10 -18.348 0.261 2.202 1.00 0.28 H new ATOM 1565 N ARG B 11 -18.060 -1.966 4.197 1.00 0.25 N ATOM 1566 CA ARG B 11 -17.181 -2.994 3.658 1.00 0.21 C ATOM 1567 C ARG B 11 -17.649 -3.415 2.268 1.00 0.27 C ATOM 1568 O ARG B 11 -18.850 -3.460 1.997 1.00 0.53 O ATOM 1569 CB ARG B 11 -17.121 -4.205 4.602 1.00 0.24 C ATOM 1570 CG ARG B 11 -18.370 -5.074 4.589 1.00 0.31 C ATOM 1571 CD ARG B 11 -18.454 -5.952 5.827 1.00 0.68 C ATOM 1572 NE ARG B 11 -19.067 -5.245 6.949 1.00 1.23 N ATOM 1573 CZ ARG B 11 -20.365 -5.313 7.253 1.00 1.21 C ATOM 1574 NH1 ARG B 11 -21.185 -6.064 6.525 1.00 1.36 N1+ ATOM 1575 NH2 ARG B 11 -20.839 -4.624 8.281 1.00 1.72 N ATOM 0 H ARG B 11 -19.004 -2.288 4.412 1.00 0.25 H new ATOM 0 HA ARG B 11 -16.176 -2.581 3.573 1.00 0.21 H new ATOM 0 HB2 ARG B 11 -16.263 -4.820 4.331 1.00 0.24 H new ATOM 0 HB3 ARG B 11 -16.951 -3.850 5.618 1.00 0.24 H new ATOM 0 HG2 ARG B 11 -19.255 -4.440 4.531 1.00 0.31 H new ATOM 0 HG3 ARG B 11 -18.369 -5.701 3.697 1.00 0.31 H new ATOM 0 HD2 ARG B 11 -19.034 -6.847 5.600 1.00 0.68 H new ATOM 0 HD3 ARG B 11 -17.454 -6.283 6.108 1.00 0.68 H new ATOM 0 HE ARG B 11 -18.467 -4.665 7.535 1.00 1.23 H new ATOM 0 HH11 ARG B 11 -20.823 -6.591 5.730 1.00 1.36 H new ATOM 0 HH12 ARG B 11 -22.176 -6.113 6.761 1.00 1.36 H new ATOM 0 HH21 ARG B 11 -20.212 -4.043 8.838 1.00 1.72 H new ATOM 0 HH22 ARG B 11 -21.830 -4.674 8.515 1.00 1.72 H new ATOM 1589 N VAL B 12 -16.697 -3.720 1.401 1.00 0.16 N ATOM 1590 CA VAL B 12 -16.996 -4.122 0.033 1.00 0.15 C ATOM 1591 C VAL B 12 -16.172 -5.349 -0.359 1.00 0.12 C ATOM 1592 O VAL B 12 -15.069 -5.557 0.154 1.00 0.17 O ATOM 1593 CB VAL B 12 -16.711 -2.961 -0.955 1.00 0.19 C ATOM 1594 CG1 VAL B 12 -15.215 -2.688 -1.066 1.00 0.13 C ATOM 1595 CG2 VAL B 12 -17.310 -3.241 -2.327 1.00 0.25 C ATOM 0 H VAL B 12 -15.701 -3.697 1.622 1.00 0.16 H new ATOM 0 HA VAL B 12 -18.055 -4.375 -0.019 1.00 0.15 H new ATOM 0 HB VAL B 12 -17.190 -2.067 -0.556 1.00 0.19 H new ATOM 0 HG11 VAL B 12 -15.045 -1.869 -1.765 1.00 0.13 H new ATOM 0 HG12 VAL B 12 -14.821 -2.416 -0.087 1.00 0.13 H new ATOM 0 HG13 VAL B 12 -14.707 -3.583 -1.425 1.00 0.13 H new ATOM 0 HG21 VAL B 12 -17.092 -2.408 -2.996 1.00 0.25 H new ATOM 0 HG22 VAL B 12 -16.877 -4.155 -2.733 1.00 0.25 H new ATOM 0 HG23 VAL B 12 -18.390 -3.360 -2.235 1.00 0.25 H new ATOM 1605 N SER B 13 -16.722 -6.170 -1.239 1.00 0.09 N ATOM 1606 CA SER B 13 -16.030 -7.356 -1.711 1.00 0.12 C ATOM 1607 C SER B 13 -15.492 -7.113 -3.116 1.00 0.18 C ATOM 1608 O SER B 13 -16.200 -6.579 -3.972 1.00 0.48 O ATOM 1609 CB SER B 13 -16.970 -8.565 -1.700 1.00 0.12 C ATOM 1610 OG SER B 13 -17.598 -8.717 -0.433 1.00 0.38 O ATOM 0 H SER B 13 -17.649 -6.035 -1.642 1.00 0.09 H new ATOM 0 HA SER B 13 -15.195 -7.568 -1.043 1.00 0.12 H new ATOM 0 HB2 SER B 13 -17.729 -8.446 -2.473 1.00 0.12 H new ATOM 0 HB3 SER B 13 -16.409 -9.468 -1.941 1.00 0.12 H new ATOM 0 HG SER B 13 -18.194 -9.495 -0.454 1.00 0.38 H new ATOM 1616 N VAL B 14 -14.241 -7.483 -3.341 1.00 0.14 N ATOM 1617 CA VAL B 14 -13.604 -7.300 -4.637 1.00 0.13 C ATOM 1618 C VAL B 14 -12.807 -8.537 -5.029 1.00 0.09 C ATOM 1619 O VAL B 14 -12.551 -9.407 -4.198 1.00 0.19 O ATOM 1620 CB VAL B 14 -12.671 -6.073 -4.652 1.00 0.15 C ATOM 1621 CG1 VAL B 14 -13.465 -4.791 -4.869 1.00 0.27 C ATOM 1622 CG2 VAL B 14 -11.862 -5.988 -3.365 1.00 0.17 C ATOM 0 H VAL B 14 -13.642 -7.915 -2.637 1.00 0.14 H new ATOM 0 HA VAL B 14 -14.404 -7.136 -5.359 1.00 0.13 H new ATOM 0 HB VAL B 14 -11.976 -6.191 -5.484 1.00 0.15 H new ATOM 0 HG11 VAL B 14 -12.785 -3.939 -4.876 1.00 0.27 H new ATOM 0 HG12 VAL B 14 -13.989 -4.845 -5.823 1.00 0.27 H new ATOM 0 HG13 VAL B 14 -14.189 -4.671 -4.063 1.00 0.27 H new ATOM 0 HG21 VAL B 14 -11.212 -5.114 -3.401 1.00 0.17 H new ATOM 0 HG22 VAL B 14 -12.539 -5.902 -2.515 1.00 0.17 H new ATOM 0 HG23 VAL B 14 -11.255 -6.887 -3.257 1.00 0.17 H new ATOM 1632 N ARG B 15 -12.404 -8.601 -6.289 1.00 0.17 N ATOM 1633 CA ARG B 15 -11.651 -9.740 -6.793 1.00 0.12 C ATOM 1634 C ARG B 15 -10.168 -9.412 -6.928 1.00 0.08 C ATOM 1635 O ARG B 15 -9.799 -8.446 -7.592 1.00 0.12 O ATOM 1636 CB ARG B 15 -12.194 -10.173 -8.154 1.00 0.19 C ATOM 1637 CG ARG B 15 -11.628 -11.502 -8.639 1.00 0.32 C ATOM 1638 CD ARG B 15 -11.238 -11.463 -10.112 1.00 0.37 C ATOM 1639 NE ARG B 15 -9.851 -11.028 -10.312 1.00 0.23 N ATOM 1640 CZ ARG B 15 -9.003 -11.616 -11.161 1.00 0.17 C ATOM 1641 NH1 ARG B 15 -9.405 -12.634 -11.912 1.00 0.20 N1+ ATOM 1642 NH2 ARG B 15 -7.749 -11.194 -11.253 1.00 0.33 N ATOM 0 H ARG B 15 -12.586 -7.876 -6.983 1.00 0.17 H new ATOM 0 HA ARG B 15 -11.764 -10.551 -6.074 1.00 0.12 H new ATOM 0 HB2 ARG B 15 -13.280 -10.249 -8.096 1.00 0.19 H new ATOM 0 HB3 ARG B 15 -11.968 -9.401 -8.889 1.00 0.19 H new ATOM 0 HG2 ARG B 15 -10.754 -11.762 -8.041 1.00 0.32 H new ATOM 0 HG3 ARG B 15 -12.367 -12.288 -8.482 1.00 0.32 H new ATOM 0 HD2 ARG B 15 -11.372 -12.454 -10.547 1.00 0.37 H new ATOM 0 HD3 ARG B 15 -11.908 -10.788 -10.645 1.00 0.37 H new ATOM 0 HE ARG B 15 -9.515 -10.231 -9.772 1.00 0.23 H new ATOM 0 HH11 ARG B 15 -10.365 -12.971 -11.843 1.00 0.20 H new ATOM 0 HH12 ARG B 15 -8.754 -13.079 -12.558 1.00 0.20 H new ATOM 0 HH21 ARG B 15 -7.428 -10.418 -10.674 1.00 0.33 H new ATOM 0 HH22 ARG B 15 -7.105 -11.646 -11.902 1.00 0.33 H new ATOM 1656 N ILE B 16 -9.323 -10.229 -6.311 1.00 0.03 N ATOM 1657 CA ILE B 16 -7.881 -10.043 -6.374 1.00 0.08 C ATOM 1658 C ILE B 16 -7.196 -11.381 -6.651 1.00 0.13 C ATOM 1659 O ILE B 16 -7.304 -12.321 -5.860 1.00 0.15 O ATOM 1660 CB ILE B 16 -7.324 -9.428 -5.066 1.00 0.10 C ATOM 1661 CG1 ILE B 16 -7.778 -7.976 -4.920 1.00 0.11 C ATOM 1662 CG2 ILE B 16 -5.804 -9.510 -5.030 1.00 0.15 C ATOM 1663 CD1 ILE B 16 -8.696 -7.745 -3.738 1.00 0.15 C ATOM 0 H ILE B 16 -9.617 -11.033 -5.757 1.00 0.03 H new ATOM 0 HA ILE B 16 -7.671 -9.347 -7.186 1.00 0.08 H new ATOM 0 HB ILE B 16 -7.718 -10.004 -4.229 1.00 0.10 H new ATOM 0 HG12 ILE B 16 -6.900 -7.338 -4.818 1.00 0.11 H new ATOM 0 HG13 ILE B 16 -8.290 -7.670 -5.832 1.00 0.11 H new ATOM 0 HG21 ILE B 16 -5.438 -9.072 -4.102 1.00 0.15 H new ATOM 0 HG22 ILE B 16 -5.495 -10.554 -5.085 1.00 0.15 H new ATOM 0 HG23 ILE B 16 -5.390 -8.964 -5.877 1.00 0.15 H new ATOM 0 HD11 ILE B 16 -8.978 -6.693 -3.696 1.00 0.15 H new ATOM 0 HD12 ILE B 16 -9.591 -8.357 -3.848 1.00 0.15 H new ATOM 0 HD13 ILE B 16 -8.180 -8.019 -2.818 1.00 0.15 H new ATOM 1675 N TYR B 17 -6.524 -11.458 -7.797 1.00 0.18 N ATOM 1676 CA TYR B 17 -5.811 -12.660 -8.220 1.00 0.25 C ATOM 1677 C TYR B 17 -6.747 -13.862 -8.328 1.00 0.24 C ATOM 1678 O TYR B 17 -6.402 -14.977 -7.931 1.00 0.27 O ATOM 1679 CB TYR B 17 -4.641 -12.965 -7.279 1.00 0.29 C ATOM 1680 CG TYR B 17 -3.306 -13.000 -7.989 1.00 0.23 C ATOM 1681 CD1 TYR B 17 -2.860 -11.907 -8.722 1.00 0.22 C ATOM 1682 CD2 TYR B 17 -2.497 -14.128 -7.936 1.00 0.27 C ATOM 1683 CE1 TYR B 17 -1.646 -11.938 -9.379 1.00 0.20 C ATOM 1684 CE2 TYR B 17 -1.279 -14.163 -8.590 1.00 0.31 C ATOM 1685 CZ TYR B 17 -0.860 -13.066 -9.309 1.00 0.26 C ATOM 1686 OH TYR B 17 0.349 -13.099 -9.965 1.00 0.34 O ATOM 0 H TYR B 17 -6.459 -10.686 -8.460 1.00 0.18 H new ATOM 0 HA TYR B 17 -5.408 -12.466 -9.214 1.00 0.25 H new ATOM 0 HB2 TYR B 17 -4.608 -12.211 -6.492 1.00 0.29 H new ATOM 0 HB3 TYR B 17 -4.813 -13.925 -6.793 1.00 0.29 H new ATOM 0 HD1 TYR B 17 -3.473 -11.019 -8.779 1.00 0.22 H new ATOM 0 HD2 TYR B 17 -2.824 -14.991 -7.375 1.00 0.27 H new ATOM 0 HE1 TYR B 17 -1.314 -11.081 -9.946 1.00 0.20 H new ATOM 0 HE2 TYR B 17 -0.660 -15.046 -8.537 1.00 0.31 H new ATOM 0 HH TYR B 17 0.803 -12.237 -9.857 1.00 0.34 H new ATOM 1696 N GLY B 18 -7.941 -13.620 -8.851 1.00 0.21 N ATOM 1697 CA GLY B 18 -8.908 -14.685 -9.041 1.00 0.22 C ATOM 1698 C GLY B 18 -9.868 -14.862 -7.878 1.00 0.22 C ATOM 1699 O GLY B 18 -11.042 -15.167 -8.084 1.00 0.24 O ATOM 0 H GLY B 18 -8.260 -12.698 -9.149 1.00 0.21 H new ATOM 0 HA2 GLY B 18 -9.482 -14.483 -9.945 1.00 0.22 H new ATOM 0 HA3 GLY B 18 -8.375 -15.621 -9.204 1.00 0.22 H new ATOM 1703 N GLN B 19 -9.382 -14.668 -6.661 1.00 0.20 N ATOM 1704 CA GLN B 19 -10.216 -14.838 -5.473 1.00 0.21 C ATOM 1705 C GLN B 19 -10.962 -13.558 -5.117 1.00 0.18 C ATOM 1706 O GLN B 19 -10.615 -12.471 -5.578 1.00 0.13 O ATOM 1707 CB GLN B 19 -9.367 -15.280 -4.282 1.00 0.22 C ATOM 1708 CG GLN B 19 -8.893 -16.721 -4.364 1.00 0.56 C ATOM 1709 CD GLN B 19 -10.040 -17.707 -4.427 1.00 0.86 C ATOM 1710 OE1 GLN B 19 -10.460 -18.117 -5.508 1.00 0.81 O ATOM 1711 NE2 GLN B 19 -10.565 -18.086 -3.273 1.00 1.36 N ATOM 0 H GLN B 19 -8.419 -14.394 -6.467 1.00 0.20 H new ATOM 0 HA GLN B 19 -10.951 -15.609 -5.704 1.00 0.21 H new ATOM 0 HB2 GLN B 19 -8.498 -14.626 -4.205 1.00 0.22 H new ATOM 0 HB3 GLN B 19 -9.946 -15.150 -3.368 1.00 0.22 H new ATOM 0 HG2 GLN B 19 -8.264 -16.843 -5.246 1.00 0.56 H new ATOM 0 HG3 GLN B 19 -8.272 -16.946 -3.497 1.00 0.56 H new ATOM 0 HE21 GLN B 19 -10.188 -17.723 -2.397 1.00 1.36 H new ATOM 0 HE22 GLN B 19 -11.347 -18.741 -3.259 1.00 1.36 H new ATOM 1720 N ASP B 20 -11.992 -13.700 -4.296 1.00 0.24 N ATOM 1721 CA ASP B 20 -12.793 -12.564 -3.861 1.00 0.24 C ATOM 1722 C ASP B 20 -12.570 -12.317 -2.377 1.00 0.23 C ATOM 1723 O ASP B 20 -12.596 -13.252 -1.578 1.00 0.23 O ATOM 1724 CB ASP B 20 -14.283 -12.807 -4.119 1.00 0.31 C ATOM 1725 CG ASP B 20 -14.617 -12.976 -5.588 1.00 0.41 C ATOM 1726 OD1 ASP B 20 -14.897 -11.959 -6.259 1.00 0.39 O1- ATOM 1727 OD2 ASP B 20 -14.627 -14.132 -6.069 1.00 1.64 O ATOM 0 H ASP B 20 -12.295 -14.597 -3.915 1.00 0.24 H new ATOM 0 HA ASP B 20 -12.482 -11.690 -4.434 1.00 0.24 H new ATOM 0 HB2 ASP B 20 -14.598 -13.699 -3.577 1.00 0.31 H new ATOM 0 HB3 ASP B 20 -14.855 -11.971 -3.717 1.00 0.31 H new ATOM 1732 N TYR B 21 -12.347 -11.066 -2.009 1.00 0.23 N ATOM 1733 CA TYR B 21 -12.115 -10.713 -0.612 1.00 0.22 C ATOM 1734 C TYR B 21 -12.967 -9.521 -0.205 1.00 0.24 C ATOM 1735 O TYR B 21 -13.294 -8.671 -1.031 1.00 0.36 O ATOM 1736 CB TYR B 21 -10.641 -10.372 -0.375 1.00 0.19 C ATOM 1737 CG TYR B 21 -9.671 -11.418 -0.878 1.00 0.17 C ATOM 1738 CD1 TYR B 21 -9.411 -12.567 -0.142 1.00 0.16 C ATOM 1739 CD2 TYR B 21 -9.017 -11.251 -2.091 1.00 0.17 C ATOM 1740 CE1 TYR B 21 -8.523 -13.520 -0.602 1.00 0.15 C ATOM 1741 CE2 TYR B 21 -8.129 -12.200 -2.559 1.00 0.16 C ATOM 1742 CZ TYR B 21 -7.885 -13.332 -1.811 1.00 0.15 C ATOM 1743 OH TYR B 21 -7.000 -14.280 -2.275 1.00 0.14 O ATOM 0 H TYR B 21 -12.321 -10.277 -2.655 1.00 0.23 H new ATOM 0 HA TYR B 21 -12.390 -11.577 -0.008 1.00 0.22 H new ATOM 0 HB2 TYR B 21 -10.417 -9.422 -0.861 1.00 0.19 H new ATOM 0 HB3 TYR B 21 -10.481 -10.229 0.694 1.00 0.19 H new ATOM 0 HD1 TYR B 21 -9.910 -12.717 0.804 1.00 0.16 H new ATOM 0 HD2 TYR B 21 -9.206 -10.365 -2.678 1.00 0.17 H new ATOM 0 HE1 TYR B 21 -8.329 -14.408 -0.018 1.00 0.15 H new ATOM 0 HE2 TYR B 21 -7.629 -12.056 -3.505 1.00 0.16 H new ATOM 0 HH TYR B 21 -6.639 -13.995 -3.140 1.00 0.14 H new ATOM 1753 N THR B 22 -13.323 -9.465 1.068 1.00 0.18 N ATOM 1754 CA THR B 22 -14.117 -8.368 1.588 1.00 0.18 C ATOM 1755 C THR B 22 -13.241 -7.468 2.451 1.00 0.16 C ATOM 1756 O THR B 22 -12.614 -7.926 3.407 1.00 0.21 O ATOM 1757 CB THR B 22 -15.322 -8.881 2.401 1.00 0.20 C ATOM 1758 OG1 THR B 22 -16.040 -9.857 1.631 1.00 0.54 O ATOM 1759 CG2 THR B 22 -16.260 -7.741 2.778 1.00 0.26 C ATOM 0 H THR B 22 -13.073 -10.170 1.761 1.00 0.18 H new ATOM 0 HA THR B 22 -14.507 -7.797 0.746 1.00 0.18 H new ATOM 0 HB THR B 22 -14.946 -9.332 3.319 1.00 0.20 H new ATOM 0 HG1 THR B 22 -16.573 -9.404 0.945 1.00 0.54 H new ATOM 0 HG21 THR B 22 -17.100 -8.135 3.351 1.00 0.26 H new ATOM 0 HG22 THR B 22 -15.721 -7.010 3.381 1.00 0.26 H new ATOM 0 HG23 THR B 22 -16.632 -7.261 1.873 1.00 0.26 H new ATOM 1767 N ILE B 23 -13.197 -6.195 2.099 1.00 0.11 N ATOM 1768 CA ILE B 23 -12.380 -5.227 2.814 1.00 0.11 C ATOM 1769 C ILE B 23 -13.194 -4.002 3.206 1.00 0.14 C ATOM 1770 O ILE B 23 -14.329 -3.832 2.763 1.00 0.32 O ATOM 1771 CB ILE B 23 -11.169 -4.779 1.965 1.00 0.07 C ATOM 1772 CG1 ILE B 23 -11.618 -4.453 0.532 1.00 0.07 C ATOM 1773 CG2 ILE B 23 -10.092 -5.857 1.968 1.00 0.03 C ATOM 1774 CD1 ILE B 23 -10.515 -3.944 -0.367 1.00 0.08 C ATOM 0 H ILE B 23 -13.721 -5.804 1.316 1.00 0.11 H new ATOM 0 HA ILE B 23 -12.020 -5.721 3.716 1.00 0.11 H new ATOM 0 HB ILE B 23 -10.744 -3.876 2.403 1.00 0.07 H new ATOM 0 HG12 ILE B 23 -12.049 -5.350 0.086 1.00 0.07 H new ATOM 0 HG13 ILE B 23 -12.410 -3.706 0.574 1.00 0.07 H new ATOM 0 HG21 ILE B 23 -9.245 -5.527 1.366 1.00 0.03 H new ATOM 0 HG22 ILE B 23 -9.761 -6.038 2.991 1.00 0.03 H new ATOM 0 HG23 ILE B 23 -10.498 -6.778 1.550 1.00 0.03 H new ATOM 0 HD11 ILE B 23 -10.919 -3.739 -1.358 1.00 0.08 H new ATOM 0 HD12 ILE B 23 -10.098 -3.028 0.051 1.00 0.08 H new ATOM 0 HD13 ILE B 23 -9.731 -4.697 -0.443 1.00 0.08 H new ATOM 1786 N VAL B 24 -12.612 -3.151 4.038 1.00 0.16 N ATOM 1787 CA VAL B 24 -13.285 -1.942 4.487 1.00 0.17 C ATOM 1788 C VAL B 24 -12.821 -0.745 3.667 1.00 0.22 C ATOM 1789 O VAL B 24 -11.636 -0.411 3.661 1.00 0.28 O ATOM 1790 CB VAL B 24 -13.025 -1.665 5.982 1.00 0.19 C ATOM 1791 CG1 VAL B 24 -13.857 -0.486 6.465 1.00 0.20 C ATOM 1792 CG2 VAL B 24 -13.311 -2.904 6.819 1.00 0.18 C ATOM 0 H VAL B 24 -11.673 -3.276 4.416 1.00 0.16 H new ATOM 0 HA VAL B 24 -14.355 -2.096 4.347 1.00 0.17 H new ATOM 0 HB VAL B 24 -11.972 -1.410 6.101 1.00 0.19 H new ATOM 0 HG11 VAL B 24 -13.658 -0.309 7.522 1.00 0.20 H new ATOM 0 HG12 VAL B 24 -13.595 0.403 5.892 1.00 0.20 H new ATOM 0 HG13 VAL B 24 -14.915 -0.707 6.328 1.00 0.20 H new ATOM 0 HG21 VAL B 24 -13.121 -2.685 7.870 1.00 0.18 H new ATOM 0 HG22 VAL B 24 -14.353 -3.196 6.692 1.00 0.18 H new ATOM 0 HG23 VAL B 24 -12.664 -3.719 6.495 1.00 0.18 H new ATOM 1802 N GLY B 25 -13.752 -0.109 2.972 1.00 0.21 N ATOM 1803 CA GLY B 25 -13.410 1.035 2.158 1.00 0.27 C ATOM 1804 C GLY B 25 -14.307 2.223 2.430 1.00 0.07 C ATOM 1805 O GLY B 25 -15.314 2.421 1.749 1.00 0.28 O ATOM 0 H GLY B 25 -14.739 -0.366 2.958 1.00 0.21 H new ATOM 0 HA2 GLY B 25 -12.373 1.315 2.346 1.00 0.27 H new ATOM 0 HA3 GLY B 25 -13.481 0.763 1.105 1.00 0.27 H new ATOM 1809 N ALA B 26 -13.934 3.027 3.416 1.00 0.15 N ATOM 1810 CA ALA B 26 -14.712 4.203 3.786 1.00 0.36 C ATOM 1811 C ALA B 26 -14.327 5.401 2.924 1.00 0.34 C ATOM 1812 O ALA B 26 -13.862 6.425 3.432 1.00 0.57 O ATOM 1813 CB ALA B 26 -14.512 4.520 5.260 1.00 0.61 C ATOM 0 H ALA B 26 -13.094 2.886 3.977 1.00 0.15 H new ATOM 0 HA ALA B 26 -15.767 3.988 3.613 1.00 0.36 H new ATOM 0 HB1 ALA B 26 -15.098 5.400 5.526 1.00 0.61 H new ATOM 0 HB2 ALA B 26 -14.838 3.672 5.862 1.00 0.61 H new ATOM 0 HB3 ALA B 26 -13.457 4.715 5.450 1.00 0.61 H new ATOM 1819 N GLU B 27 -14.532 5.272 1.621 1.00 0.08 N ATOM 1820 CA GLU B 27 -14.193 6.339 0.692 1.00 0.06 C ATOM 1821 C GLU B 27 -15.310 6.550 -0.341 1.00 0.07 C ATOM 1822 O GLU B 27 -16.142 7.443 -0.177 1.00 0.08 O ATOM 1823 CB GLU B 27 -12.834 6.035 0.033 1.00 0.06 C ATOM 1824 CG GLU B 27 -12.451 6.979 -1.097 1.00 0.97 C ATOM 1825 CD GLU B 27 -12.609 8.438 -0.734 1.00 1.82 C ATOM 1826 OE1 GLU B 27 -12.031 8.872 0.281 1.00 2.18 O ATOM 1827 OE2 GLU B 27 -13.317 9.155 -1.470 1.00 2.44 O1- ATOM 0 H GLU B 27 -14.931 4.441 1.184 1.00 0.08 H new ATOM 0 HA GLU B 27 -14.101 7.278 1.238 1.00 0.06 H new ATOM 0 HB2 GLU B 27 -12.058 6.072 0.798 1.00 0.06 H new ATOM 0 HB3 GLU B 27 -12.853 5.016 -0.353 1.00 0.06 H new ATOM 0 HG2 GLU B 27 -11.416 6.792 -1.382 1.00 0.97 H new ATOM 0 HG3 GLU B 27 -13.067 6.760 -1.969 1.00 0.97 H new ATOM 1834 N SER B 28 -15.340 5.734 -1.391 1.00 0.08 N ATOM 1835 CA SER B 28 -16.362 5.854 -2.422 1.00 0.11 C ATOM 1836 C SER B 28 -16.339 4.620 -3.317 1.00 0.14 C ATOM 1837 O SER B 28 -15.286 3.994 -3.481 1.00 0.14 O ATOM 1838 CB SER B 28 -16.147 7.129 -3.252 1.00 0.16 C ATOM 1839 OG SER B 28 -15.030 7.009 -4.118 1.00 0.98 O ATOM 0 H SER B 28 -14.668 4.983 -1.549 1.00 0.08 H new ATOM 0 HA SER B 28 -17.339 5.925 -1.944 1.00 0.11 H new ATOM 0 HB2 SER B 28 -17.042 7.336 -3.839 1.00 0.16 H new ATOM 0 HB3 SER B 28 -16.000 7.978 -2.584 1.00 0.16 H new ATOM 0 HG SER B 28 -14.310 7.596 -3.806 1.00 0.98 H new ATOM 1845 N PRO B 29 -17.497 4.254 -3.896 1.00 0.17 N ATOM 1846 CA PRO B 29 -17.629 3.081 -4.770 1.00 0.21 C ATOM 1847 C PRO B 29 -16.626 3.069 -5.922 1.00 0.18 C ATOM 1848 O PRO B 29 -16.085 2.020 -6.270 1.00 0.20 O ATOM 1849 CB PRO B 29 -19.063 3.182 -5.313 1.00 0.30 C ATOM 1850 CG PRO B 29 -19.521 4.566 -4.985 1.00 0.28 C ATOM 1851 CD PRO B 29 -18.781 4.953 -3.739 1.00 0.18 C ATOM 0 HA PRO B 29 -17.429 2.162 -4.220 1.00 0.21 H new ATOM 0 HB2 PRO B 29 -19.088 3.005 -6.388 1.00 0.30 H new ATOM 0 HB3 PRO B 29 -19.710 2.436 -4.852 1.00 0.30 H new ATOM 0 HG2 PRO B 29 -19.302 5.255 -5.801 1.00 0.28 H new ATOM 0 HG3 PRO B 29 -20.599 4.594 -4.825 1.00 0.28 H new ATOM 0 HD2 PRO B 29 -18.648 6.032 -3.666 1.00 0.18 H new ATOM 0 HD3 PRO B 29 -19.308 4.635 -2.840 1.00 0.18 H new ATOM 1859 N ALA B 30 -16.369 4.233 -6.503 1.00 0.18 N ATOM 1860 CA ALA B 30 -15.437 4.328 -7.619 1.00 0.16 C ATOM 1861 C ALA B 30 -13.988 4.215 -7.153 1.00 0.10 C ATOM 1862 O ALA B 30 -13.182 3.524 -7.776 1.00 0.05 O ATOM 1863 CB ALA B 30 -15.648 5.621 -8.382 1.00 0.20 C ATOM 0 H ALA B 30 -16.789 5.119 -6.223 1.00 0.18 H new ATOM 0 HA ALA B 30 -15.637 3.490 -8.286 1.00 0.16 H new ATOM 0 HB1 ALA B 30 -14.943 5.673 -9.211 1.00 0.20 H new ATOM 0 HB2 ALA B 30 -16.666 5.653 -8.769 1.00 0.20 H new ATOM 0 HB3 ALA B 30 -15.487 6.468 -7.715 1.00 0.20 H new ATOM 1869 N HIS B 31 -13.662 4.878 -6.049 1.00 0.15 N ATOM 1870 CA HIS B 31 -12.302 4.848 -5.515 1.00 0.13 C ATOM 1871 C HIS B 31 -11.912 3.433 -5.102 1.00 0.07 C ATOM 1872 O HIS B 31 -10.820 2.971 -5.412 1.00 0.05 O ATOM 1873 CB HIS B 31 -12.168 5.788 -4.313 1.00 0.20 C ATOM 1874 CG HIS B 31 -11.770 7.196 -4.659 1.00 0.38 C ATOM 1875 ND1 HIS B 31 -12.378 8.299 -4.103 1.00 0.76 N ATOM 1876 CD2 HIS B 31 -10.802 7.680 -5.479 1.00 1.42 C ATOM 1877 CE1 HIS B 31 -11.809 9.395 -4.564 1.00 0.48 C ATOM 1878 NE2 HIS B 31 -10.848 9.052 -5.399 1.00 1.22 N ATOM 0 H HIS B 31 -14.317 5.441 -5.507 1.00 0.15 H new ATOM 0 HA HIS B 31 -11.630 5.184 -6.305 1.00 0.13 H new ATOM 0 HB2 HIS B 31 -13.119 5.814 -3.781 1.00 0.20 H new ATOM 0 HB3 HIS B 31 -11.430 5.374 -3.626 1.00 0.20 H new ATOM 0 HD2 HIS B 31 -10.122 7.096 -6.082 1.00 1.42 H new ATOM 0 HE1 HIS B 31 -12.084 10.406 -4.301 1.00 0.48 H new ATOM 0 HE2 HIS B 31 -10.239 9.698 -5.902 1.00 1.22 H new ATOM 1887 N ILE B 32 -12.821 2.744 -4.420 1.00 0.08 N ATOM 1888 CA ILE B 32 -12.562 1.382 -3.955 1.00 0.08 C ATOM 1889 C ILE B 32 -12.609 0.370 -5.102 1.00 0.07 C ATOM 1890 O ILE B 32 -12.194 -0.779 -4.943 1.00 0.14 O ATOM 1891 CB ILE B 32 -13.565 0.952 -2.856 1.00 0.11 C ATOM 1892 CG1 ILE B 32 -14.985 0.803 -3.437 1.00 0.13 C ATOM 1893 CG2 ILE B 32 -13.539 1.954 -1.707 1.00 0.12 C ATOM 1894 CD1 ILE B 32 -16.051 0.479 -2.412 1.00 0.10 C ATOM 0 H ILE B 32 -13.744 3.104 -4.176 1.00 0.08 H new ATOM 0 HA ILE B 32 -11.556 1.391 -3.534 1.00 0.08 H new ATOM 0 HB ILE B 32 -13.267 -0.022 -2.469 1.00 0.11 H new ATOM 0 HG12 ILE B 32 -15.256 1.729 -3.944 1.00 0.13 H new ATOM 0 HG13 ILE B 32 -14.974 0.017 -4.193 1.00 0.13 H new ATOM 0 HG21 ILE B 32 -14.247 1.645 -0.938 1.00 0.12 H new ATOM 0 HG22 ILE B 32 -12.536 1.994 -1.282 1.00 0.12 H new ATOM 0 HG23 ILE B 32 -13.815 2.941 -2.078 1.00 0.12 H new ATOM 0 HD11 ILE B 32 -17.018 0.392 -2.908 1.00 0.10 H new ATOM 0 HD12 ILE B 32 -15.809 -0.463 -1.921 1.00 0.10 H new ATOM 0 HD13 ILE B 32 -16.095 1.275 -1.668 1.00 0.10 H new ATOM 1906 N ARG B 33 -13.103 0.803 -6.253 1.00 0.07 N ATOM 1907 CA ARG B 33 -13.208 -0.068 -7.415 1.00 0.05 C ATOM 1908 C ARG B 33 -11.853 -0.249 -8.090 1.00 0.04 C ATOM 1909 O ARG B 33 -11.459 -1.367 -8.431 1.00 0.05 O ATOM 1910 CB ARG B 33 -14.209 0.506 -8.424 1.00 0.07 C ATOM 1911 CG ARG B 33 -14.975 -0.559 -9.186 1.00 0.59 C ATOM 1912 CD ARG B 33 -16.252 -0.940 -8.460 1.00 0.36 C ATOM 1913 NE ARG B 33 -17.275 0.100 -8.565 1.00 0.42 N ATOM 1914 CZ ARG B 33 -18.414 0.103 -7.876 1.00 0.84 C ATOM 1915 NH1 ARG B 33 -18.689 -0.887 -7.033 1.00 1.03 N1+ ATOM 1916 NH2 ARG B 33 -19.284 1.090 -8.035 1.00 1.46 N ATOM 0 H ARG B 33 -13.438 1.754 -6.407 1.00 0.07 H new ATOM 0 HA ARG B 33 -13.559 -1.041 -7.070 1.00 0.05 H new ATOM 0 HB2 ARG B 33 -14.917 1.146 -7.898 1.00 0.07 H new ATOM 0 HB3 ARG B 33 -13.676 1.138 -9.134 1.00 0.07 H new ATOM 0 HG2 ARG B 33 -15.216 -0.194 -10.184 1.00 0.59 H new ATOM 0 HG3 ARG B 33 -14.348 -1.442 -9.312 1.00 0.59 H new ATOM 0 HD2 ARG B 33 -16.639 -1.872 -8.873 1.00 0.36 H new ATOM 0 HD3 ARG B 33 -16.030 -1.125 -7.409 1.00 0.36 H new ATOM 0 HE ARG B 33 -17.105 0.873 -9.208 1.00 0.42 H new ATOM 0 HH11 ARG B 33 -18.026 -1.653 -6.912 1.00 1.03 H new ATOM 0 HH12 ARG B 33 -19.563 -0.881 -6.507 1.00 1.03 H new ATOM 0 HH21 ARG B 33 -19.081 1.849 -8.686 1.00 1.46 H new ATOM 0 HH22 ARG B 33 -20.156 1.091 -7.506 1.00 1.46 H new ATOM 1930 N LEU B 34 -11.132 0.850 -8.258 1.00 0.06 N ATOM 1931 CA LEU B 34 -9.833 0.817 -8.918 1.00 0.09 C ATOM 1932 C LEU B 34 -8.746 0.221 -8.025 1.00 0.08 C ATOM 1933 O LEU B 34 -7.725 -0.256 -8.524 1.00 0.12 O ATOM 1934 CB LEU B 34 -9.439 2.226 -9.380 1.00 0.12 C ATOM 1935 CG LEU B 34 -8.968 3.183 -8.285 1.00 0.10 C ATOM 1936 CD1 LEU B 34 -7.465 3.405 -8.387 1.00 0.09 C ATOM 1937 CD2 LEU B 34 -9.713 4.506 -8.386 1.00 0.14 C ATOM 0 H LEU B 34 -11.424 1.776 -7.947 1.00 0.06 H new ATOM 0 HA LEU B 34 -9.924 0.166 -9.788 1.00 0.09 H new ATOM 0 HB2 LEU B 34 -8.645 2.135 -10.121 1.00 0.12 H new ATOM 0 HB3 LEU B 34 -10.295 2.675 -9.883 1.00 0.12 H new ATOM 0 HG LEU B 34 -9.184 2.738 -7.314 1.00 0.10 H new ATOM 0 HD11 LEU B 34 -7.144 4.089 -7.601 1.00 0.09 H new ATOM 0 HD12 LEU B 34 -6.948 2.452 -8.273 1.00 0.09 H new ATOM 0 HD13 LEU B 34 -7.226 3.833 -9.360 1.00 0.09 H new ATOM 0 HD21 LEU B 34 -9.368 5.179 -7.601 1.00 0.14 H new ATOM 0 HD22 LEU B 34 -9.523 4.957 -9.360 1.00 0.14 H new ATOM 0 HD23 LEU B 34 -10.783 4.331 -8.270 1.00 0.14 H new ATOM 1949 N VAL B 35 -8.973 0.231 -6.713 1.00 0.05 N ATOM 1950 CA VAL B 35 -7.999 -0.302 -5.759 1.00 0.08 C ATOM 1951 C VAL B 35 -7.667 -1.763 -6.059 1.00 0.08 C ATOM 1952 O VAL B 35 -6.494 -2.144 -6.115 1.00 0.11 O ATOM 1953 CB VAL B 35 -8.510 -0.190 -4.305 1.00 0.09 C ATOM 1954 CG1 VAL B 35 -7.544 -0.860 -3.339 1.00 0.14 C ATOM 1955 CG2 VAL B 35 -8.710 1.264 -3.919 1.00 0.09 C ATOM 0 H VAL B 35 -9.822 0.602 -6.285 1.00 0.05 H new ATOM 0 HA VAL B 35 -7.097 0.300 -5.867 1.00 0.08 H new ATOM 0 HB VAL B 35 -9.470 -0.703 -4.245 1.00 0.09 H new ATOM 0 HG11 VAL B 35 -7.925 -0.768 -2.322 1.00 0.14 H new ATOM 0 HG12 VAL B 35 -7.445 -1.915 -3.596 1.00 0.14 H new ATOM 0 HG13 VAL B 35 -6.569 -0.378 -3.406 1.00 0.14 H new ATOM 0 HG21 VAL B 35 -9.070 1.322 -2.892 1.00 0.09 H new ATOM 0 HG22 VAL B 35 -7.762 1.796 -4.002 1.00 0.09 H new ATOM 0 HG23 VAL B 35 -9.442 1.720 -4.586 1.00 0.09 H new ATOM 1965 N ALA B 36 -8.702 -2.565 -6.276 1.00 0.07 N ATOM 1966 CA ALA B 36 -8.528 -3.984 -6.554 1.00 0.07 C ATOM 1967 C ALA B 36 -7.753 -4.212 -7.848 1.00 0.09 C ATOM 1968 O ALA B 36 -6.821 -5.009 -7.888 1.00 0.09 O ATOM 1969 CB ALA B 36 -9.880 -4.672 -6.621 1.00 0.08 C ATOM 0 H ALA B 36 -9.674 -2.255 -6.265 1.00 0.07 H new ATOM 0 HA ALA B 36 -7.946 -4.415 -5.740 1.00 0.07 H new ATOM 0 HB1 ALA B 36 -9.739 -5.733 -6.829 1.00 0.08 H new ATOM 0 HB2 ALA B 36 -10.395 -4.555 -5.668 1.00 0.08 H new ATOM 0 HB3 ALA B 36 -10.478 -4.223 -7.414 1.00 0.08 H new ATOM 1975 N ALA B 37 -8.133 -3.491 -8.895 1.00 0.12 N ATOM 1976 CA ALA B 37 -7.480 -3.621 -10.195 1.00 0.15 C ATOM 1977 C ALA B 37 -6.018 -3.194 -10.121 1.00 0.17 C ATOM 1978 O ALA B 37 -5.145 -3.807 -10.738 1.00 0.19 O ATOM 1979 CB ALA B 37 -8.223 -2.799 -11.237 1.00 0.21 C ATOM 0 H ALA B 37 -8.891 -2.809 -8.871 1.00 0.12 H new ATOM 0 HA ALA B 37 -7.507 -4.671 -10.488 1.00 0.15 H new ATOM 0 HB1 ALA B 37 -7.728 -2.903 -12.203 1.00 0.21 H new ATOM 0 HB2 ALA B 37 -9.250 -3.154 -11.316 1.00 0.21 H new ATOM 0 HB3 ALA B 37 -8.224 -1.750 -10.940 1.00 0.21 H new ATOM 1985 N PHE B 38 -5.761 -2.149 -9.346 1.00 0.16 N ATOM 1986 CA PHE B 38 -4.417 -1.620 -9.175 1.00 0.18 C ATOM 1987 C PHE B 38 -3.500 -2.651 -8.514 1.00 0.15 C ATOM 1988 O PHE B 38 -2.383 -2.893 -8.982 1.00 0.16 O ATOM 1989 CB PHE B 38 -4.478 -0.330 -8.345 1.00 0.23 C ATOM 1990 CG PHE B 38 -3.157 0.127 -7.786 1.00 0.20 C ATOM 1991 CD1 PHE B 38 -2.062 0.329 -8.613 1.00 0.28 C ATOM 1992 CD2 PHE B 38 -3.014 0.353 -6.427 1.00 0.37 C ATOM 1993 CE1 PHE B 38 -0.852 0.750 -8.094 1.00 0.27 C ATOM 1994 CE2 PHE B 38 -1.807 0.773 -5.901 1.00 0.36 C ATOM 1995 CZ PHE B 38 -0.725 0.972 -6.736 1.00 0.14 C ATOM 0 H PHE B 38 -6.476 -1.646 -8.820 1.00 0.16 H new ATOM 0 HA PHE B 38 -3.999 -1.394 -10.156 1.00 0.18 H new ATOM 0 HB2 PHE B 38 -4.888 0.466 -8.967 1.00 0.23 H new ATOM 0 HB3 PHE B 38 -5.173 -0.479 -7.519 1.00 0.23 H new ATOM 0 HD1 PHE B 38 -2.156 0.155 -9.675 1.00 0.28 H new ATOM 0 HD2 PHE B 38 -3.857 0.199 -5.770 1.00 0.37 H new ATOM 0 HE1 PHE B 38 -0.007 0.905 -8.749 1.00 0.27 H new ATOM 0 HE2 PHE B 38 -1.710 0.945 -4.839 1.00 0.36 H new ATOM 0 HZ PHE B 38 0.219 1.301 -6.328 1.00 0.14 H new ATOM 2005 N VAL B 39 -3.978 -3.276 -7.446 1.00 0.14 N ATOM 2006 CA VAL B 39 -3.175 -4.264 -6.739 1.00 0.14 C ATOM 2007 C VAL B 39 -3.084 -5.581 -7.520 1.00 0.14 C ATOM 2008 O VAL B 39 -2.067 -6.279 -7.461 1.00 0.19 O ATOM 2009 CB VAL B 39 -3.711 -4.519 -5.309 1.00 0.15 C ATOM 2010 CG1 VAL B 39 -4.948 -5.408 -5.317 1.00 0.15 C ATOM 2011 CG2 VAL B 39 -2.619 -5.115 -4.438 1.00 0.22 C ATOM 0 H VAL B 39 -4.907 -3.119 -7.054 1.00 0.14 H new ATOM 0 HA VAL B 39 -2.170 -3.851 -6.654 1.00 0.14 H new ATOM 0 HB VAL B 39 -4.011 -3.559 -4.889 1.00 0.15 H new ATOM 0 HG11 VAL B 39 -5.292 -5.562 -4.294 1.00 0.15 H new ATOM 0 HG12 VAL B 39 -5.737 -4.929 -5.897 1.00 0.15 H new ATOM 0 HG13 VAL B 39 -4.702 -6.370 -5.766 1.00 0.15 H new ATOM 0 HG21 VAL B 39 -3.008 -5.290 -3.435 1.00 0.22 H new ATOM 0 HG22 VAL B 39 -2.286 -6.060 -4.868 1.00 0.22 H new ATOM 0 HG23 VAL B 39 -1.778 -4.424 -4.385 1.00 0.22 H new ATOM 2021 N ASP B 40 -4.134 -5.900 -8.276 1.00 0.14 N ATOM 2022 CA ASP B 40 -4.172 -7.126 -9.068 1.00 0.21 C ATOM 2023 C ASP B 40 -3.126 -7.080 -10.176 1.00 0.27 C ATOM 2024 O ASP B 40 -2.444 -8.073 -10.448 1.00 0.34 O ATOM 2025 CB ASP B 40 -5.566 -7.333 -9.668 1.00 0.21 C ATOM 2026 CG ASP B 40 -5.767 -8.733 -10.221 1.00 0.33 C ATOM 2027 OD1 ASP B 40 -5.162 -9.059 -11.264 1.00 0.32 O1- ATOM 2028 OD2 ASP B 40 -6.541 -9.511 -9.620 1.00 0.47 O ATOM 0 H ASP B 40 -4.972 -5.323 -8.356 1.00 0.14 H new ATOM 0 HA ASP B 40 -3.946 -7.965 -8.410 1.00 0.21 H new ATOM 0 HB2 ASP B 40 -6.318 -7.138 -8.904 1.00 0.21 H new ATOM 0 HB3 ASP B 40 -5.725 -6.606 -10.465 1.00 0.21 H new ATOM 2033 N ASP B 41 -2.992 -5.919 -10.807 1.00 0.28 N ATOM 2034 CA ASP B 41 -2.022 -5.744 -11.884 1.00 0.37 C ATOM 2035 C ASP B 41 -0.603 -5.722 -11.333 1.00 0.32 C ATOM 2036 O ASP B 41 0.324 -6.240 -11.956 1.00 0.32 O ATOM 2037 CB ASP B 41 -2.292 -4.458 -12.666 1.00 0.46 C ATOM 2038 CG ASP B 41 -1.408 -4.341 -13.892 1.00 0.78 C ATOM 2039 OD1 ASP B 41 -1.507 -5.211 -14.784 1.00 1.11 O1- ATOM 2040 OD2 ASP B 41 -0.603 -3.387 -13.966 1.00 0.92 O ATOM 0 H ASP B 41 -3.541 -5.086 -10.593 1.00 0.28 H new ATOM 0 HA ASP B 41 -2.127 -6.591 -12.562 1.00 0.37 H new ATOM 0 HB2 ASP B 41 -3.338 -4.432 -12.970 1.00 0.46 H new ATOM 0 HB3 ASP B 41 -2.127 -3.598 -12.017 1.00 0.46 H new ATOM 2045 N LYS B 42 -0.438 -5.130 -10.155 1.00 0.28 N ATOM 2046 CA LYS B 42 0.871 -5.043 -9.521 1.00 0.24 C ATOM 2047 C LYS B 42 1.407 -6.438 -9.197 1.00 0.20 C ATOM 2048 O LYS B 42 2.588 -6.727 -9.393 1.00 0.18 O ATOM 2049 CB LYS B 42 0.799 -4.185 -8.256 1.00 0.24 C ATOM 2050 CG LYS B 42 2.157 -3.943 -7.613 1.00 0.21 C ATOM 2051 CD LYS B 42 2.261 -2.549 -7.015 1.00 0.40 C ATOM 2052 CE LYS B 42 2.566 -1.506 -8.080 1.00 0.55 C ATOM 2053 NZ LYS B 42 3.848 -1.785 -8.787 1.00 0.48 N1+ ATOM 0 H LYS B 42 -1.195 -4.704 -9.620 1.00 0.28 H new ATOM 0 HA LYS B 42 1.559 -4.567 -10.219 1.00 0.24 H new ATOM 0 HB2 LYS B 42 0.345 -3.225 -8.502 1.00 0.24 H new ATOM 0 HB3 LYS B 42 0.144 -4.671 -7.533 1.00 0.24 H new ATOM 0 HG2 LYS B 42 2.327 -4.686 -6.834 1.00 0.21 H new ATOM 0 HG3 LYS B 42 2.941 -4.078 -8.358 1.00 0.21 H new ATOM 0 HD2 LYS B 42 1.326 -2.296 -6.514 1.00 0.40 H new ATOM 0 HD3 LYS B 42 3.043 -2.535 -6.256 1.00 0.40 H new ATOM 0 HE2 LYS B 42 1.752 -1.479 -8.804 1.00 0.55 H new ATOM 0 HE3 LYS B 42 2.614 -0.520 -7.618 1.00 0.55 H new ATOM 0 HZ1 LYS B 42 4.163 -0.928 -9.285 1.00 0.48 H new ATOM 0 HZ2 LYS B 42 4.571 -2.069 -8.096 1.00 0.48 H new ATOM 0 HZ3 LYS B 42 3.706 -2.552 -9.474 1.00 0.48 H new ATOM 2067 N MET B 43 0.528 -7.312 -8.725 1.00 0.21 N ATOM 2068 CA MET B 43 0.921 -8.679 -8.392 1.00 0.19 C ATOM 2069 C MET B 43 1.085 -9.512 -9.656 1.00 0.17 C ATOM 2070 O MET B 43 1.552 -10.646 -9.607 1.00 0.18 O ATOM 2071 CB MET B 43 -0.099 -9.343 -7.465 1.00 0.24 C ATOM 2072 CG MET B 43 0.285 -9.276 -5.996 1.00 0.25 C ATOM 2073 SD MET B 43 -0.894 -10.125 -4.929 1.00 0.31 S ATOM 2074 CE MET B 43 -2.288 -9.003 -5.013 1.00 0.24 C ATOM 0 H MET B 43 -0.457 -7.103 -8.564 1.00 0.21 H new ATOM 0 HA MET B 43 1.877 -8.627 -7.870 1.00 0.19 H new ATOM 0 HB2 MET B 43 -1.068 -8.864 -7.601 1.00 0.24 H new ATOM 0 HB3 MET B 43 -0.216 -10.387 -7.755 1.00 0.24 H new ATOM 0 HG2 MET B 43 1.273 -9.717 -5.862 1.00 0.25 H new ATOM 0 HG3 MET B 43 0.358 -8.232 -5.691 1.00 0.25 H new ATOM 0 HE1 MET B 43 -2.567 -8.693 -4.006 1.00 0.24 H new ATOM 0 HE2 MET B 43 -2.015 -8.126 -5.600 1.00 0.24 H new ATOM 0 HE3 MET B 43 -3.132 -9.506 -5.484 1.00 0.24 H new ATOM 2084 N HIS B 44 0.700 -8.942 -10.787 1.00 0.16 N ATOM 2085 CA HIS B 44 0.806 -9.626 -12.069 1.00 0.19 C ATOM 2086 C HIS B 44 2.092 -9.234 -12.785 1.00 0.25 C ATOM 2087 O HIS B 44 2.538 -9.922 -13.699 1.00 0.61 O ATOM 2088 CB HIS B 44 -0.397 -9.290 -12.949 1.00 0.26 C ATOM 2089 CG HIS B 44 -1.431 -10.372 -13.002 1.00 0.47 C ATOM 2090 ND1 HIS B 44 -2.662 -10.276 -12.386 1.00 0.54 N ATOM 2091 CD2 HIS B 44 -1.413 -11.580 -13.612 1.00 1.09 C ATOM 2092 CE1 HIS B 44 -3.352 -11.377 -12.613 1.00 1.18 C ATOM 2093 NE2 HIS B 44 -2.618 -12.184 -13.356 1.00 1.53 N ATOM 0 H HIS B 44 0.309 -8.002 -10.844 1.00 0.16 H new ATOM 0 HA HIS B 44 0.824 -10.699 -11.881 1.00 0.19 H new ATOM 0 HB2 HIS B 44 -0.861 -8.375 -12.580 1.00 0.26 H new ATOM 0 HB3 HIS B 44 -0.048 -9.084 -13.961 1.00 0.26 H new ATOM 0 HD1 HIS B 44 -2.988 -9.478 -11.840 1.00 0.54 H new ATOM 0 HD2 HIS B 44 -0.601 -11.992 -14.193 1.00 1.09 H new ATOM 0 HE1 HIS B 44 -4.349 -11.583 -12.252 1.00 1.18 H new ATOM 2102 N GLU B 45 2.684 -8.125 -12.360 1.00 0.14 N ATOM 2103 CA GLU B 45 3.915 -7.638 -12.969 1.00 0.11 C ATOM 2104 C GLU B 45 5.139 -8.046 -12.156 1.00 0.07 C ATOM 2105 O GLU B 45 6.252 -8.090 -12.677 1.00 0.03 O ATOM 2106 CB GLU B 45 3.871 -6.112 -13.110 1.00 0.10 C ATOM 2107 CG GLU B 45 3.994 -5.366 -11.783 1.00 0.07 C ATOM 2108 CD GLU B 45 3.906 -3.864 -11.940 1.00 0.22 C ATOM 2109 OE1 GLU B 45 4.339 -3.349 -12.994 1.00 0.49 O ATOM 2110 OE2 GLU B 45 3.417 -3.189 -11.010 1.00 0.43 O1- ATOM 0 H GLU B 45 2.332 -7.547 -11.597 1.00 0.14 H new ATOM 0 HA GLU B 45 3.996 -8.091 -13.957 1.00 0.11 H new ATOM 0 HB2 GLU B 45 4.678 -5.794 -13.771 1.00 0.10 H new ATOM 0 HB3 GLU B 45 2.935 -5.828 -13.590 1.00 0.10 H new ATOM 0 HG2 GLU B 45 3.206 -5.702 -11.109 1.00 0.07 H new ATOM 0 HG3 GLU B 45 4.945 -5.622 -11.315 1.00 0.07 H new ATOM 2117 N PHE B 46 4.931 -8.339 -10.879 1.00 0.11 N ATOM 2118 CA PHE B 46 6.027 -8.724 -10.004 1.00 0.10 C ATOM 2119 C PHE B 46 6.176 -10.241 -9.935 1.00 0.10 C ATOM 2120 O PHE B 46 7.207 -10.751 -9.495 1.00 0.11 O ATOM 2121 CB PHE B 46 5.815 -8.143 -8.603 1.00 0.11 C ATOM 2122 CG PHE B 46 6.960 -7.295 -8.127 1.00 0.13 C ATOM 2123 CD1 PHE B 46 8.252 -7.797 -8.108 1.00 0.16 C ATOM 2124 CD2 PHE B 46 6.744 -6.000 -7.692 1.00 0.14 C ATOM 2125 CE1 PHE B 46 9.307 -7.020 -7.665 1.00 0.17 C ATOM 2126 CE2 PHE B 46 7.793 -5.219 -7.248 1.00 0.14 C ATOM 2127 CZ PHE B 46 9.077 -5.730 -7.235 1.00 0.15 C ATOM 0 H PHE B 46 4.016 -8.317 -10.429 1.00 0.11 H new ATOM 0 HA PHE B 46 6.949 -8.318 -10.420 1.00 0.10 H new ATOM 0 HB2 PHE B 46 4.904 -7.544 -8.600 1.00 0.11 H new ATOM 0 HB3 PHE B 46 5.661 -8.960 -7.899 1.00 0.11 H new ATOM 0 HD1 PHE B 46 8.437 -8.807 -8.443 1.00 0.16 H new ATOM 0 HD2 PHE B 46 5.743 -5.595 -7.700 1.00 0.14 H new ATOM 0 HE1 PHE B 46 10.309 -7.423 -7.656 1.00 0.17 H new ATOM 0 HE2 PHE B 46 7.610 -4.209 -6.911 1.00 0.14 H new ATOM 0 HZ PHE B 46 9.899 -5.120 -6.889 1.00 0.15 H new ATOM 2137 N SER B 47 5.152 -10.960 -10.380 1.00 0.09 N ATOM 2138 CA SER B 47 5.185 -12.417 -10.368 1.00 0.10 C ATOM 2139 C SER B 47 6.222 -12.934 -11.362 1.00 0.09 C ATOM 2140 O SER B 47 6.968 -13.871 -11.074 1.00 0.13 O ATOM 2141 CB SER B 47 3.794 -12.966 -10.696 1.00 0.13 C ATOM 2142 OG SER B 47 3.158 -12.166 -11.679 1.00 0.49 O ATOM 0 H SER B 47 4.291 -10.559 -10.752 1.00 0.09 H new ATOM 0 HA SER B 47 5.472 -12.761 -9.374 1.00 0.10 H new ATOM 0 HB2 SER B 47 3.878 -13.992 -11.054 1.00 0.13 H new ATOM 0 HB3 SER B 47 3.186 -12.992 -9.792 1.00 0.13 H new ATOM 0 HG SER B 47 2.613 -11.480 -11.240 1.00 0.49 H new ATOM 2148 N GLU B 48 6.296 -12.277 -12.516 1.00 0.13 N ATOM 2149 CA GLU B 48 7.237 -12.657 -13.563 1.00 0.12 C ATOM 2150 C GLU B 48 8.651 -12.178 -13.241 1.00 0.09 C ATOM 2151 O GLU B 48 9.585 -12.425 -14.002 1.00 0.07 O ATOM 2152 CB GLU B 48 6.790 -12.087 -14.913 1.00 0.15 C ATOM 2153 CG GLU B 48 6.644 -10.572 -14.920 1.00 0.17 C ATOM 2154 CD GLU B 48 7.271 -9.922 -16.139 1.00 0.71 C ATOM 2155 OE1 GLU B 48 7.362 -10.582 -17.195 1.00 0.76 O1- ATOM 2156 OE2 GLU B 48 7.680 -8.744 -16.045 1.00 1.67 O ATOM 0 H GLU B 48 5.712 -11.474 -12.750 1.00 0.13 H new ATOM 0 HA GLU B 48 7.250 -13.746 -13.618 1.00 0.12 H new ATOM 0 HB2 GLU B 48 7.512 -12.377 -15.677 1.00 0.15 H new ATOM 0 HB3 GLU B 48 5.836 -12.536 -15.189 1.00 0.15 H new ATOM 0 HG2 GLU B 48 5.586 -10.314 -14.882 1.00 0.17 H new ATOM 0 HG3 GLU B 48 7.104 -10.164 -14.020 1.00 0.17 H new ATOM 2163 N LYS B 49 8.811 -11.501 -12.108 1.00 0.10 N ATOM 2164 CA LYS B 49 10.122 -11.004 -11.711 1.00 0.10 C ATOM 2165 C LYS B 49 10.928 -12.127 -11.070 1.00 0.15 C ATOM 2166 O LYS B 49 12.149 -12.032 -10.948 1.00 0.23 O ATOM 2167 CB LYS B 49 10.003 -9.827 -10.729 1.00 0.09 C ATOM 2168 CG LYS B 49 10.741 -8.554 -11.158 1.00 0.12 C ATOM 2169 CD LYS B 49 12.231 -8.781 -11.418 1.00 0.05 C ATOM 2170 CE LYS B 49 13.020 -9.047 -10.141 1.00 1.11 C ATOM 2171 NZ LYS B 49 14.402 -9.512 -10.437 1.00 1.14 N1+ ATOM 0 H LYS B 49 8.057 -11.286 -11.455 1.00 0.10 H new ATOM 0 HA LYS B 49 10.632 -10.648 -12.606 1.00 0.10 H new ATOM 0 HB2 LYS B 49 8.948 -9.590 -10.594 1.00 0.09 H new ATOM 0 HB3 LYS B 49 10.386 -10.142 -9.758 1.00 0.09 H new ATOM 0 HG2 LYS B 49 10.277 -8.160 -12.062 1.00 0.12 H new ATOM 0 HG3 LYS B 49 10.625 -7.796 -10.383 1.00 0.12 H new ATOM 0 HD2 LYS B 49 12.352 -9.625 -12.097 1.00 0.05 H new ATOM 0 HD3 LYS B 49 12.645 -7.906 -11.920 1.00 0.05 H new ATOM 0 HE2 LYS B 49 13.062 -8.137 -9.543 1.00 1.11 H new ATOM 0 HE3 LYS B 49 12.503 -9.798 -9.543 1.00 1.11 H new ATOM 0 HZ1 LYS B 49 14.909 -9.683 -9.545 1.00 1.14 H new ATOM 0 HZ2 LYS B 49 14.361 -10.394 -10.987 1.00 1.14 H new ATOM 0 HZ3 LYS B 49 14.903 -8.785 -10.986 1.00 1.14 H new ATOM 2185 N GLN B 50 10.227 -13.190 -10.675 1.00 0.20 N ATOM 2186 CA GLN B 50 10.847 -14.354 -10.041 1.00 0.30 C ATOM 2187 C GLN B 50 11.617 -13.950 -8.778 1.00 0.13 C ATOM 2188 O GLN B 50 12.848 -13.950 -8.759 1.00 0.29 O ATOM 2189 CB GLN B 50 11.779 -15.072 -11.028 1.00 0.53 C ATOM 2190 CG GLN B 50 12.154 -16.482 -10.603 1.00 1.05 C ATOM 2191 CD GLN B 50 13.246 -17.081 -11.467 1.00 1.30 C ATOM 2192 OE1 GLN B 50 14.435 -16.924 -11.188 1.00 1.37 O ATOM 2193 NE2 GLN B 50 12.851 -17.771 -12.525 1.00 1.60 N ATOM 0 H GLN B 50 9.216 -13.269 -10.785 1.00 0.20 H new ATOM 0 HA GLN B 50 10.052 -15.040 -9.748 1.00 0.30 H new ATOM 0 HB2 GLN B 50 11.296 -15.113 -12.004 1.00 0.53 H new ATOM 0 HB3 GLN B 50 12.689 -14.484 -11.147 1.00 0.53 H new ATOM 0 HG2 GLN B 50 12.484 -16.469 -9.564 1.00 1.05 H new ATOM 0 HG3 GLN B 50 11.270 -17.118 -10.648 1.00 1.05 H new ATOM 0 HE21 GLN B 50 11.856 -17.878 -12.722 1.00 1.60 H new ATOM 0 HE22 GLN B 50 13.542 -18.196 -13.144 1.00 1.60 H new ATOM 2202 N PRO B 51 10.898 -13.593 -7.700 1.00 0.16 N ATOM 2203 CA PRO B 51 11.523 -13.196 -6.451 1.00 0.27 C ATOM 2204 C PRO B 51 11.877 -14.404 -5.586 1.00 0.20 C ATOM 2205 O PRO B 51 13.024 -14.842 -5.555 1.00 0.19 O ATOM 2206 CB PRO B 51 10.460 -12.319 -5.775 1.00 0.48 C ATOM 2207 CG PRO B 51 9.163 -12.590 -6.482 1.00 0.51 C ATOM 2208 CD PRO B 51 9.434 -13.552 -7.613 1.00 0.41 C ATOM 0 HA PRO B 51 12.467 -12.674 -6.606 1.00 0.27 H new ATOM 0 HB2 PRO B 51 10.380 -12.557 -4.714 1.00 0.48 H new ATOM 0 HB3 PRO B 51 10.726 -11.264 -5.846 1.00 0.48 H new ATOM 0 HG2 PRO B 51 8.434 -13.012 -5.790 1.00 0.51 H new ATOM 0 HG3 PRO B 51 8.738 -11.662 -6.866 1.00 0.51 H new ATOM 0 HD2 PRO B 51 9.019 -14.538 -7.406 1.00 0.41 H new ATOM 0 HD3 PRO B 51 8.988 -13.207 -8.546 1.00 0.41 H new ATOM 2216 N MET B 52 10.883 -14.946 -4.893 1.00 0.17 N ATOM 2217 CA MET B 52 11.095 -16.108 -4.039 1.00 0.11 C ATOM 2218 C MET B 52 10.330 -17.311 -4.581 1.00 0.09 C ATOM 2219 O MET B 52 10.289 -18.363 -3.947 1.00 0.08 O ATOM 2220 CB MET B 52 10.647 -15.810 -2.602 1.00 0.12 C ATOM 2221 CG MET B 52 11.200 -14.508 -2.040 1.00 0.18 C ATOM 2222 SD MET B 52 13.001 -14.446 -2.056 1.00 0.26 S ATOM 2223 CE MET B 52 13.282 -12.731 -1.618 1.00 0.43 C ATOM 0 H MET B 52 9.924 -14.600 -4.906 1.00 0.17 H new ATOM 0 HA MET B 52 12.160 -16.338 -4.034 1.00 0.11 H new ATOM 0 HB2 MET B 52 9.558 -15.774 -2.572 1.00 0.12 H new ATOM 0 HB3 MET B 52 10.957 -16.633 -1.958 1.00 0.12 H new ATOM 0 HG2 MET B 52 10.808 -13.672 -2.620 1.00 0.18 H new ATOM 0 HG3 MET B 52 10.846 -14.380 -1.017 1.00 0.18 H new ATOM 0 HE1 MET B 52 14.352 -12.552 -1.517 1.00 0.43 H new ATOM 0 HE2 MET B 52 12.878 -12.085 -2.398 1.00 0.43 H new ATOM 0 HE3 MET B 52 12.786 -12.511 -0.672 1.00 0.43 H new ATOM 2233 N LEU B 53 9.741 -17.138 -5.770 1.00 0.10 N ATOM 2234 CA LEU B 53 8.954 -18.187 -6.424 1.00 0.11 C ATOM 2235 C LEU B 53 7.952 -18.806 -5.453 1.00 0.08 C ATOM 2236 O LEU B 53 7.918 -20.022 -5.262 1.00 0.10 O ATOM 2237 CB LEU B 53 9.868 -19.264 -7.012 1.00 0.19 C ATOM 2238 CG LEU B 53 10.437 -18.962 -8.402 1.00 0.25 C ATOM 2239 CD1 LEU B 53 11.524 -19.962 -8.763 1.00 0.62 C ATOM 2240 CD2 LEU B 53 9.332 -18.982 -9.451 1.00 1.07 C ATOM 0 H LEU B 53 9.797 -16.270 -6.303 1.00 0.10 H new ATOM 0 HA LEU B 53 8.396 -17.727 -7.239 1.00 0.11 H new ATOM 0 HB2 LEU B 53 10.699 -19.424 -6.326 1.00 0.19 H new ATOM 0 HB3 LEU B 53 9.311 -20.200 -7.062 1.00 0.19 H new ATOM 0 HG LEU B 53 10.876 -17.964 -8.381 1.00 0.25 H new ATOM 0 HD11 LEU B 53 11.916 -19.731 -9.754 1.00 0.62 H new ATOM 0 HD12 LEU B 53 12.330 -19.904 -8.031 1.00 0.62 H new ATOM 0 HD13 LEU B 53 11.107 -20.969 -8.763 1.00 0.62 H new ATOM 0 HD21 LEU B 53 9.757 -18.765 -10.431 1.00 1.07 H new ATOM 0 HD22 LEU B 53 8.864 -19.966 -9.468 1.00 1.07 H new ATOM 0 HD23 LEU B 53 8.583 -18.229 -9.205 1.00 1.07 H new ATOM 2252 N ASP B 54 7.145 -17.949 -4.843 1.00 0.09 N ATOM 2253 CA ASP B 54 6.137 -18.376 -3.884 1.00 0.12 C ATOM 2254 C ASP B 54 5.058 -17.308 -3.785 1.00 0.10 C ATOM 2255 O ASP B 54 5.367 -16.130 -3.601 1.00 0.18 O ATOM 2256 CB ASP B 54 6.773 -18.617 -2.513 1.00 0.19 C ATOM 2257 CG ASP B 54 6.000 -19.615 -1.672 1.00 0.24 C ATOM 2258 OD1 ASP B 54 4.983 -20.152 -2.158 1.00 0.28 O1- ATOM 2259 OD2 ASP B 54 6.417 -19.871 -0.519 1.00 0.26 O ATOM 0 H ASP B 54 7.171 -16.941 -4.999 1.00 0.09 H new ATOM 0 HA ASP B 54 5.691 -19.312 -4.221 1.00 0.12 H new ATOM 0 HB2 ASP B 54 7.793 -18.977 -2.649 1.00 0.19 H new ATOM 0 HB3 ASP B 54 6.838 -17.670 -1.977 1.00 0.19 H new ATOM 2264 N VAL B 55 3.802 -17.723 -3.910 1.00 0.11 N ATOM 2265 CA VAL B 55 2.662 -16.800 -3.864 1.00 0.12 C ATOM 2266 C VAL B 55 2.646 -15.924 -2.601 1.00 0.08 C ATOM 2267 O VAL B 55 2.570 -14.702 -2.710 1.00 0.04 O ATOM 2268 CB VAL B 55 1.315 -17.547 -3.988 1.00 0.17 C ATOM 2269 CG1 VAL B 55 0.162 -16.563 -4.121 1.00 0.08 C ATOM 2270 CG2 VAL B 55 1.337 -18.500 -5.170 1.00 0.32 C ATOM 0 H VAL B 55 3.541 -18.700 -4.045 1.00 0.11 H new ATOM 0 HA VAL B 55 2.790 -16.143 -4.724 1.00 0.12 H new ATOM 0 HB VAL B 55 1.166 -18.129 -3.078 1.00 0.17 H new ATOM 0 HG11 VAL B 55 -0.776 -17.111 -4.207 1.00 0.08 H new ATOM 0 HG12 VAL B 55 0.128 -15.921 -3.241 1.00 0.08 H new ATOM 0 HG13 VAL B 55 0.307 -15.951 -5.011 1.00 0.08 H new ATOM 0 HG21 VAL B 55 0.379 -19.016 -5.239 1.00 0.32 H new ATOM 0 HG22 VAL B 55 1.514 -17.938 -6.087 1.00 0.32 H new ATOM 0 HG23 VAL B 55 2.134 -19.231 -5.033 1.00 0.32 H new ATOM 2280 N PRO B 56 2.717 -16.514 -1.385 1.00 0.10 N ATOM 2281 CA PRO B 56 2.699 -15.739 -0.136 1.00 0.10 C ATOM 2282 C PRO B 56 3.798 -14.677 -0.072 1.00 0.07 C ATOM 2283 O PRO B 56 3.569 -13.562 0.398 1.00 0.14 O ATOM 2284 CB PRO B 56 2.910 -16.791 0.961 1.00 0.14 C ATOM 2285 CG PRO B 56 3.411 -18.006 0.255 1.00 0.15 C ATOM 2286 CD PRO B 56 2.807 -17.961 -1.117 1.00 0.14 C ATOM 0 HA PRO B 56 1.767 -15.182 -0.036 1.00 0.10 H new ATOM 0 HB2 PRO B 56 3.628 -16.445 1.704 1.00 0.14 H new ATOM 0 HB3 PRO B 56 1.980 -16.999 1.489 1.00 0.14 H new ATOM 0 HG2 PRO B 56 4.500 -18.007 0.203 1.00 0.15 H new ATOM 0 HG3 PRO B 56 3.117 -18.914 0.782 1.00 0.15 H new ATOM 0 HD2 PRO B 56 3.431 -18.471 -1.851 1.00 0.14 H new ATOM 0 HD3 PRO B 56 1.828 -18.439 -1.144 1.00 0.14 H new ATOM 2294 N LYS B 57 4.982 -15.018 -0.565 1.00 0.09 N ATOM 2295 CA LYS B 57 6.107 -14.091 -0.549 1.00 0.06 C ATOM 2296 C LYS B 57 5.966 -13.042 -1.647 1.00 0.07 C ATOM 2297 O LYS B 57 6.482 -11.934 -1.530 1.00 0.12 O ATOM 2298 CB LYS B 57 7.429 -14.846 -0.708 1.00 0.12 C ATOM 2299 CG LYS B 57 7.873 -15.580 0.549 1.00 0.17 C ATOM 2300 CD LYS B 57 7.700 -17.083 0.403 1.00 0.47 C ATOM 2301 CE LYS B 57 8.071 -17.821 1.676 1.00 0.23 C ATOM 2302 NZ LYS B 57 8.176 -19.288 1.451 1.00 0.62 N1+ ATOM 0 H LYS B 57 5.188 -15.927 -0.980 1.00 0.09 H new ATOM 0 HA LYS B 57 6.108 -13.582 0.415 1.00 0.06 H new ATOM 0 HB2 LYS B 57 7.330 -15.565 -1.521 1.00 0.12 H new ATOM 0 HB3 LYS B 57 8.207 -14.140 -0.999 1.00 0.12 H new ATOM 0 HG2 LYS B 57 8.918 -15.351 0.756 1.00 0.17 H new ATOM 0 HG3 LYS B 57 7.294 -15.227 1.402 1.00 0.17 H new ATOM 0 HD2 LYS B 57 6.665 -17.306 0.142 1.00 0.47 H new ATOM 0 HD3 LYS B 57 8.320 -17.442 -0.419 1.00 0.47 H new ATOM 0 HE2 LYS B 57 9.021 -17.442 2.053 1.00 0.23 H new ATOM 0 HE3 LYS B 57 7.322 -17.623 2.443 1.00 0.23 H new ATOM 0 HZ1 LYS B 57 8.008 -19.789 2.346 1.00 0.62 H new ATOM 0 HZ2 LYS B 57 7.467 -19.583 0.750 1.00 0.62 H new ATOM 0 HZ3 LYS B 57 9.127 -19.518 1.099 1.00 0.62 H new ATOM 2316 N LEU B 58 5.266 -13.405 -2.713 1.00 0.07 N ATOM 2317 CA LEU B 58 5.051 -12.502 -3.836 1.00 0.11 C ATOM 2318 C LEU B 58 4.053 -11.412 -3.450 1.00 0.11 C ATOM 2319 O LEU B 58 4.279 -10.226 -3.696 1.00 0.14 O ATOM 2320 CB LEU B 58 4.545 -13.309 -5.050 1.00 0.14 C ATOM 2321 CG LEU B 58 4.365 -12.557 -6.385 1.00 0.16 C ATOM 2322 CD1 LEU B 58 3.034 -11.819 -6.435 1.00 0.17 C ATOM 2323 CD2 LEU B 58 5.515 -11.592 -6.645 1.00 0.27 C ATOM 0 H LEU B 58 4.835 -14.323 -2.824 1.00 0.07 H new ATOM 0 HA LEU B 58 5.991 -12.018 -4.103 1.00 0.11 H new ATOM 0 HB2 LEU B 58 5.240 -14.132 -5.219 1.00 0.14 H new ATOM 0 HB3 LEU B 58 3.586 -13.752 -4.782 1.00 0.14 H new ATOM 0 HG LEU B 58 4.368 -13.309 -7.174 1.00 0.16 H new ATOM 0 HD11 LEU B 58 2.941 -11.301 -7.389 1.00 0.17 H new ATOM 0 HD12 LEU B 58 2.218 -12.533 -6.329 1.00 0.17 H new ATOM 0 HD13 LEU B 58 2.989 -11.094 -5.622 1.00 0.17 H new ATOM 0 HD21 LEU B 58 5.353 -11.081 -7.594 1.00 0.27 H new ATOM 0 HD22 LEU B 58 5.563 -10.858 -5.841 1.00 0.27 H new ATOM 0 HD23 LEU B 58 6.453 -12.146 -6.687 1.00 0.27 H new ATOM 2335 N ALA B 59 2.962 -11.830 -2.826 1.00 0.08 N ATOM 2336 CA ALA B 59 1.908 -10.915 -2.412 1.00 0.09 C ATOM 2337 C ALA B 59 2.408 -9.875 -1.409 1.00 0.14 C ATOM 2338 O ALA B 59 2.125 -8.681 -1.546 1.00 0.31 O ATOM 2339 CB ALA B 59 0.749 -11.701 -1.827 1.00 0.07 C ATOM 0 H ALA B 59 2.782 -12.807 -2.593 1.00 0.08 H new ATOM 0 HA ALA B 59 1.573 -10.371 -3.295 1.00 0.09 H new ATOM 0 HB1 ALA B 59 -0.038 -11.013 -1.518 1.00 0.07 H new ATOM 0 HB2 ALA B 59 0.358 -12.386 -2.579 1.00 0.07 H new ATOM 0 HB3 ALA B 59 1.094 -12.269 -0.963 1.00 0.07 H new ATOM 2345 N VAL B 60 3.165 -10.320 -0.410 1.00 0.02 N ATOM 2346 CA VAL B 60 3.685 -9.409 0.603 1.00 0.05 C ATOM 2347 C VAL B 60 4.747 -8.484 0.004 1.00 0.08 C ATOM 2348 O VAL B 60 4.964 -7.371 0.489 1.00 0.12 O ATOM 2349 CB VAL B 60 4.255 -10.170 1.827 1.00 0.07 C ATOM 2350 CG1 VAL B 60 5.576 -10.849 1.495 1.00 0.07 C ATOM 2351 CG2 VAL B 60 4.412 -9.229 3.013 1.00 0.13 C ATOM 0 H VAL B 60 3.430 -11.297 -0.281 1.00 0.02 H new ATOM 0 HA VAL B 60 2.850 -8.803 0.954 1.00 0.05 H new ATOM 0 HB VAL B 60 3.544 -10.951 2.096 1.00 0.07 H new ATOM 0 HG11 VAL B 60 5.947 -11.373 2.376 1.00 0.07 H new ATOM 0 HG12 VAL B 60 5.425 -11.563 0.685 1.00 0.07 H new ATOM 0 HG13 VAL B 60 6.303 -10.098 1.186 1.00 0.07 H new ATOM 0 HG21 VAL B 60 4.813 -9.780 3.864 1.00 0.13 H new ATOM 0 HG22 VAL B 60 5.095 -8.421 2.749 1.00 0.13 H new ATOM 0 HG23 VAL B 60 3.441 -8.811 3.277 1.00 0.13 H new ATOM 2361 N LEU B 61 5.380 -8.940 -1.075 1.00 0.08 N ATOM 2362 CA LEU B 61 6.404 -8.158 -1.755 1.00 0.11 C ATOM 2363 C LEU B 61 5.782 -6.911 -2.372 1.00 0.11 C ATOM 2364 O LEU B 61 6.329 -5.814 -2.274 1.00 0.13 O ATOM 2365 CB LEU B 61 7.091 -9.002 -2.835 1.00 0.13 C ATOM 2366 CG LEU B 61 8.244 -8.322 -3.573 1.00 0.17 C ATOM 2367 CD1 LEU B 61 9.415 -8.078 -2.636 1.00 0.17 C ATOM 2368 CD2 LEU B 61 8.676 -9.166 -4.759 1.00 0.17 C ATOM 0 H LEU B 61 5.199 -9.851 -1.497 1.00 0.08 H new ATOM 0 HA LEU B 61 7.155 -7.853 -1.027 1.00 0.11 H new ATOM 0 HB2 LEU B 61 7.468 -9.914 -2.372 1.00 0.13 H new ATOM 0 HB3 LEU B 61 6.341 -9.302 -3.567 1.00 0.13 H new ATOM 0 HG LEU B 61 7.898 -7.355 -3.939 1.00 0.17 H new ATOM 0 HD11 LEU B 61 10.224 -7.593 -3.183 1.00 0.17 H new ATOM 0 HD12 LEU B 61 9.096 -7.436 -1.815 1.00 0.17 H new ATOM 0 HD13 LEU B 61 9.766 -9.030 -2.237 1.00 0.17 H new ATOM 0 HD21 LEU B 61 9.498 -8.672 -5.277 1.00 0.17 H new ATOM 0 HD22 LEU B 61 9.004 -10.145 -4.409 1.00 0.17 H new ATOM 0 HD23 LEU B 61 7.837 -9.288 -5.444 1.00 0.17 H new ATOM 2380 N THR B 62 4.628 -7.085 -2.998 1.00 0.10 N ATOM 2381 CA THR B 62 3.927 -5.971 -3.608 1.00 0.09 C ATOM 2382 C THR B 62 3.298 -5.080 -2.543 1.00 0.09 C ATOM 2383 O THR B 62 3.169 -3.870 -2.728 1.00 0.08 O ATOM 2384 CB THR B 62 2.843 -6.465 -4.582 1.00 0.10 C ATOM 2385 OG1 THR B 62 2.217 -7.645 -4.064 1.00 0.18 O ATOM 2386 CG2 THR B 62 3.441 -6.775 -5.943 1.00 0.12 C ATOM 0 H THR B 62 4.160 -7.986 -3.096 1.00 0.10 H new ATOM 0 HA THR B 62 4.658 -5.389 -4.169 1.00 0.09 H new ATOM 0 HB THR B 62 2.102 -5.673 -4.692 1.00 0.10 H new ATOM 0 HG1 THR B 62 2.252 -7.631 -3.085 1.00 0.18 H new ATOM 0 HG21 THR B 62 2.656 -7.122 -6.615 1.00 0.12 H new ATOM 0 HG22 THR B 62 3.898 -5.874 -6.354 1.00 0.12 H new ATOM 0 HG23 THR B 62 4.199 -7.551 -5.839 1.00 0.12 H new ATOM 2394 N ALA B 63 2.933 -5.689 -1.417 1.00 0.10 N ATOM 2395 CA ALA B 63 2.321 -4.966 -0.312 1.00 0.11 C ATOM 2396 C ALA B 63 3.269 -3.911 0.238 1.00 0.11 C ATOM 2397 O ALA B 63 2.887 -2.758 0.444 1.00 0.12 O ATOM 2398 CB ALA B 63 1.920 -5.935 0.792 1.00 0.10 C ATOM 0 H ALA B 63 3.053 -6.688 -1.248 1.00 0.10 H new ATOM 0 HA ALA B 63 1.429 -4.463 -0.686 1.00 0.11 H new ATOM 0 HB1 ALA B 63 1.463 -5.382 1.613 1.00 0.10 H new ATOM 0 HB2 ALA B 63 1.205 -6.658 0.399 1.00 0.10 H new ATOM 0 HB3 ALA B 63 2.804 -6.459 1.155 1.00 0.10 H new ATOM 2404 N VAL B 64 4.516 -4.306 0.455 1.00 0.09 N ATOM 2405 CA VAL B 64 5.515 -3.399 0.991 1.00 0.10 C ATOM 2406 C VAL B 64 5.935 -2.352 -0.050 1.00 0.12 C ATOM 2407 O VAL B 64 6.356 -1.251 0.308 1.00 0.12 O ATOM 2408 CB VAL B 64 6.750 -4.174 1.513 1.00 0.10 C ATOM 2409 CG1 VAL B 64 7.593 -4.717 0.371 1.00 0.12 C ATOM 2410 CG2 VAL B 64 7.581 -3.302 2.441 1.00 0.11 C ATOM 0 H VAL B 64 4.857 -5.249 0.267 1.00 0.09 H new ATOM 0 HA VAL B 64 5.062 -2.874 1.832 1.00 0.10 H new ATOM 0 HB VAL B 64 6.388 -5.029 2.084 1.00 0.10 H new ATOM 0 HG11 VAL B 64 8.451 -5.255 0.775 1.00 0.12 H new ATOM 0 HG12 VAL B 64 6.992 -5.395 -0.234 1.00 0.12 H new ATOM 0 HG13 VAL B 64 7.942 -3.891 -0.248 1.00 0.12 H new ATOM 0 HG21 VAL B 64 8.443 -3.867 2.796 1.00 0.11 H new ATOM 0 HG22 VAL B 64 7.923 -2.419 1.901 1.00 0.11 H new ATOM 0 HG23 VAL B 64 6.974 -2.995 3.292 1.00 0.11 H new ATOM 2420 N GLN B 65 5.796 -2.685 -1.333 1.00 0.15 N ATOM 2421 CA GLN B 65 6.165 -1.759 -2.401 1.00 0.19 C ATOM 2422 C GLN B 65 5.160 -0.614 -2.488 1.00 0.13 C ATOM 2423 O GLN B 65 5.528 0.543 -2.692 1.00 0.16 O ATOM 2424 CB GLN B 65 6.249 -2.473 -3.751 1.00 0.34 C ATOM 2425 CG GLN B 65 7.049 -1.685 -4.786 1.00 0.57 C ATOM 2426 CD GLN B 65 6.680 -2.022 -6.221 1.00 0.79 C ATOM 2427 OE1 GLN B 65 5.538 -2.370 -6.524 1.00 0.98 O ATOM 2428 NE2 GLN B 65 7.648 -1.912 -7.118 1.00 0.80 N ATOM 0 H GLN B 65 5.433 -3.582 -1.656 1.00 0.15 H new ATOM 0 HA GLN B 65 7.149 -1.356 -2.161 1.00 0.19 H new ATOM 0 HB2 GLN B 65 6.708 -3.452 -3.612 1.00 0.34 H new ATOM 0 HB3 GLN B 65 5.241 -2.644 -4.130 1.00 0.34 H new ATOM 0 HG2 GLN B 65 6.893 -0.619 -4.620 1.00 0.57 H new ATOM 0 HG3 GLN B 65 8.111 -1.879 -4.637 1.00 0.57 H new ATOM 0 HE21 GLN B 65 8.581 -1.621 -6.828 1.00 0.80 H new ATOM 0 HE22 GLN B 65 7.460 -2.119 -8.099 1.00 0.80 H new ATOM 2437 N ILE B 66 3.885 -0.946 -2.338 1.00 0.15 N ATOM 2438 CA ILE B 66 2.832 0.056 -2.383 1.00 0.16 C ATOM 2439 C ILE B 66 2.965 0.996 -1.189 1.00 0.11 C ATOM 2440 O ILE B 66 2.812 2.212 -1.311 1.00 0.27 O ATOM 2441 CB ILE B 66 1.432 -0.601 -2.367 1.00 0.27 C ATOM 2442 CG1 ILE B 66 1.236 -1.454 -3.622 1.00 0.64 C ATOM 2443 CG2 ILE B 66 0.340 0.455 -2.269 1.00 0.89 C ATOM 2444 CD1 ILE B 66 0.102 -2.448 -3.509 1.00 1.38 C ATOM 0 H ILE B 66 3.557 -1.899 -2.185 1.00 0.15 H new ATOM 0 HA ILE B 66 2.938 0.617 -3.312 1.00 0.16 H new ATOM 0 HB ILE B 66 1.364 -1.244 -1.489 1.00 0.27 H new ATOM 0 HG12 ILE B 66 1.049 -0.797 -4.472 1.00 0.64 H new ATOM 0 HG13 ILE B 66 2.160 -1.992 -3.833 1.00 0.64 H new ATOM 0 HG21 ILE B 66 -0.636 -0.031 -2.259 1.00 0.89 H new ATOM 0 HG22 ILE B 66 0.469 1.028 -1.351 1.00 0.89 H new ATOM 0 HG23 ILE B 66 0.404 1.125 -3.127 1.00 0.89 H new ATOM 0 HD11 ILE B 66 0.023 -3.017 -4.436 1.00 1.38 H new ATOM 0 HD12 ILE B 66 0.296 -3.129 -2.681 1.00 1.38 H new ATOM 0 HD13 ILE B 66 -0.832 -1.916 -3.329 1.00 1.38 H new ATOM 2456 N ALA B 67 3.287 0.410 -0.042 1.00 0.16 N ATOM 2457 CA ALA B 67 3.448 1.159 1.195 1.00 0.13 C ATOM 2458 C ALA B 67 4.584 2.177 1.099 1.00 0.06 C ATOM 2459 O ALA B 67 4.450 3.305 1.564 1.00 0.09 O ATOM 2460 CB ALA B 67 3.692 0.203 2.355 1.00 0.16 C ATOM 0 H ALA B 67 3.443 -0.593 0.055 1.00 0.16 H new ATOM 0 HA ALA B 67 2.526 1.713 1.371 1.00 0.13 H new ATOM 0 HB1 ALA B 67 3.811 0.772 3.277 1.00 0.16 H new ATOM 0 HB2 ALA B 67 2.843 -0.474 2.454 1.00 0.16 H new ATOM 0 HB3 ALA B 67 4.597 -0.375 2.166 1.00 0.16 H new ATOM 2466 N SER B 68 5.687 1.785 0.476 1.00 0.08 N ATOM 2467 CA SER B 68 6.842 2.668 0.348 1.00 0.06 C ATOM 2468 C SER B 68 6.585 3.813 -0.633 1.00 0.16 C ATOM 2469 O SER B 68 6.780 4.985 -0.293 1.00 0.21 O ATOM 2470 CB SER B 68 8.071 1.867 -0.085 1.00 0.06 C ATOM 2471 OG SER B 68 7.699 0.733 -0.849 1.00 0.28 O ATOM 0 H SER B 68 5.808 0.865 0.052 1.00 0.08 H new ATOM 0 HA SER B 68 7.024 3.112 1.326 1.00 0.06 H new ATOM 0 HB2 SER B 68 8.735 2.502 -0.671 1.00 0.06 H new ATOM 0 HB3 SER B 68 8.630 1.549 0.795 1.00 0.06 H new ATOM 0 HG SER B 68 7.497 -0.014 -0.248 1.00 0.28 H new ATOM 2477 N GLU B 69 6.124 3.476 -1.834 1.00 0.26 N ATOM 2478 CA GLU B 69 5.862 4.485 -2.866 1.00 0.35 C ATOM 2479 C GLU B 69 4.767 5.462 -2.438 1.00 0.24 C ATOM 2480 O GLU B 69 4.769 6.624 -2.844 1.00 0.18 O ATOM 2481 CB GLU B 69 5.496 3.838 -4.209 1.00 0.52 C ATOM 2482 CG GLU B 69 6.503 4.127 -5.315 1.00 0.44 C ATOM 2483 CD GLU B 69 6.312 5.495 -5.941 1.00 1.20 C ATOM 2484 OE1 GLU B 69 5.226 5.743 -6.505 1.00 1.60 O1- ATOM 2485 OE2 GLU B 69 7.243 6.330 -5.875 1.00 1.71 O ATOM 0 H GLU B 69 5.924 2.518 -2.120 1.00 0.26 H new ATOM 0 HA GLU B 69 6.788 5.046 -2.996 1.00 0.35 H new ATOM 0 HB2 GLU B 69 5.415 2.759 -4.074 1.00 0.52 H new ATOM 0 HB3 GLU B 69 4.514 4.195 -4.520 1.00 0.52 H new ATOM 0 HG2 GLU B 69 7.512 4.056 -4.909 1.00 0.44 H new ATOM 0 HG3 GLU B 69 6.416 3.363 -6.088 1.00 0.44 H new ATOM 2492 N TYR B 70 3.834 5.003 -1.616 1.00 0.23 N ATOM 2493 CA TYR B 70 2.760 5.874 -1.155 1.00 0.15 C ATOM 2494 C TYR B 70 3.192 6.674 0.070 1.00 0.08 C ATOM 2495 O TYR B 70 2.718 7.791 0.286 1.00 0.12 O ATOM 2496 CB TYR B 70 1.488 5.075 -0.861 1.00 0.24 C ATOM 2497 CG TYR B 70 0.536 5.030 -2.036 1.00 0.32 C ATOM 2498 CD1 TYR B 70 0.679 4.080 -3.039 1.00 0.57 C ATOM 2499 CD2 TYR B 70 -0.498 5.950 -2.146 1.00 0.75 C ATOM 2500 CE1 TYR B 70 -0.184 4.046 -4.117 1.00 0.56 C ATOM 2501 CE2 TYR B 70 -1.365 5.921 -3.220 1.00 0.85 C ATOM 2502 CZ TYR B 70 -1.202 4.969 -4.204 1.00 0.50 C ATOM 2503 OH TYR B 70 -2.060 4.941 -5.281 1.00 0.59 O ATOM 0 H TYR B 70 3.797 4.048 -1.259 1.00 0.23 H new ATOM 0 HA TYR B 70 2.537 6.577 -1.957 1.00 0.15 H new ATOM 0 HB2 TYR B 70 1.761 4.057 -0.582 1.00 0.24 H new ATOM 0 HB3 TYR B 70 0.979 5.515 -0.004 1.00 0.24 H new ATOM 0 HD1 TYR B 70 1.478 3.356 -2.975 1.00 0.57 H new ATOM 0 HD2 TYR B 70 -0.626 6.700 -1.379 1.00 0.75 H new ATOM 0 HE1 TYR B 70 -0.061 3.299 -4.888 1.00 0.56 H new ATOM 0 HE2 TYR B 70 -2.167 6.641 -3.289 1.00 0.85 H new ATOM 0 HH TYR B 70 -2.722 5.658 -5.190 1.00 0.59 H new ATOM 2513 N LEU B 71 4.108 6.120 0.859 1.00 0.09 N ATOM 2514 CA LEU B 71 4.594 6.810 2.050 1.00 0.17 C ATOM 2515 C LEU B 71 5.451 8.007 1.650 1.00 0.22 C ATOM 2516 O LEU B 71 5.339 9.088 2.227 1.00 0.26 O ATOM 2517 CB LEU B 71 5.402 5.867 2.948 1.00 0.24 C ATOM 2518 CG LEU B 71 5.813 6.457 4.314 1.00 0.27 C ATOM 2519 CD1 LEU B 71 4.598 6.700 5.204 1.00 0.32 C ATOM 2520 CD2 LEU B 71 6.811 5.558 5.033 1.00 0.32 C ATOM 0 H LEU B 71 4.526 5.204 0.698 1.00 0.09 H new ATOM 0 HA LEU B 71 3.728 7.157 2.614 1.00 0.17 H new ATOM 0 HB2 LEU B 71 4.816 4.964 3.121 1.00 0.24 H new ATOM 0 HB3 LEU B 71 6.303 5.565 2.414 1.00 0.24 H new ATOM 0 HG LEU B 71 6.293 7.415 4.113 1.00 0.27 H new ATOM 0 HD11 LEU B 71 4.923 7.116 6.158 1.00 0.32 H new ATOM 0 HD12 LEU B 71 3.922 7.401 4.714 1.00 0.32 H new ATOM 0 HD13 LEU B 71 4.079 5.757 5.377 1.00 0.32 H new ATOM 0 HD21 LEU B 71 7.078 6.004 5.991 1.00 0.32 H new ATOM 0 HD22 LEU B 71 6.363 4.579 5.201 1.00 0.32 H new ATOM 0 HD23 LEU B 71 7.707 5.447 4.422 1.00 0.32 H new ATOM 2532 N LYS B 72 6.300 7.811 0.649 1.00 0.23 N ATOM 2533 CA LYS B 72 7.165 8.881 0.164 1.00 0.27 C ATOM 2534 C LYS B 72 6.340 9.955 -0.546 1.00 0.24 C ATOM 2535 O LYS B 72 6.813 11.069 -0.780 1.00 0.29 O ATOM 2536 CB LYS B 72 8.245 8.323 -0.769 1.00 0.31 C ATOM 2537 CG LYS B 72 7.714 7.715 -2.063 1.00 0.38 C ATOM 2538 CD LYS B 72 8.785 6.919 -2.795 1.00 0.40 C ATOM 2539 CE LYS B 72 9.659 7.808 -3.661 1.00 0.52 C ATOM 2540 NZ LYS B 72 8.918 8.323 -4.840 1.00 0.58 N1+ ATOM 0 H LYS B 72 6.409 6.924 0.158 1.00 0.23 H new ATOM 0 HA LYS B 72 7.660 9.338 1.021 1.00 0.27 H new ATOM 0 HB2 LYS B 72 8.941 9.124 -1.018 1.00 0.31 H new ATOM 0 HB3 LYS B 72 8.813 7.563 -0.232 1.00 0.31 H new ATOM 0 HG2 LYS B 72 6.868 7.065 -1.839 1.00 0.38 H new ATOM 0 HG3 LYS B 72 7.344 8.508 -2.712 1.00 0.38 H new ATOM 0 HD2 LYS B 72 9.407 6.395 -2.069 1.00 0.40 H new ATOM 0 HD3 LYS B 72 8.311 6.159 -3.417 1.00 0.40 H new ATOM 0 HE2 LYS B 72 10.027 8.645 -3.068 1.00 0.52 H new ATOM 0 HE3 LYS B 72 10.531 7.246 -3.996 1.00 0.52 H new ATOM 0 HZ1 LYS B 72 9.587 8.518 -5.612 1.00 0.58 H new ATOM 0 HZ2 LYS B 72 8.226 7.612 -5.153 1.00 0.58 H new ATOM 0 HZ3 LYS B 72 8.421 9.200 -4.582 1.00 0.58 H new ATOM 2554 N LEU B 73 5.099 9.610 -0.866 1.00 0.17 N ATOM 2555 CA LEU B 73 4.186 10.525 -1.534 1.00 0.14 C ATOM 2556 C LEU B 73 3.452 11.391 -0.512 1.00 0.11 C ATOM 2557 O LEU B 73 3.342 12.606 -0.678 1.00 0.09 O ATOM 2558 CB LEU B 73 3.180 9.743 -2.382 1.00 0.13 C ATOM 2559 CG LEU B 73 2.128 10.592 -3.095 1.00 0.12 C ATOM 2560 CD1 LEU B 73 2.752 11.375 -4.243 1.00 0.08 C ATOM 2561 CD2 LEU B 73 1.001 9.713 -3.600 1.00 0.15 C ATOM 0 H LEU B 73 4.700 8.692 -0.670 1.00 0.17 H new ATOM 0 HA LEU B 73 4.766 11.177 -2.187 1.00 0.14 H new ATOM 0 HB2 LEU B 73 3.728 9.170 -3.130 1.00 0.13 H new ATOM 0 HB3 LEU B 73 2.670 9.025 -1.740 1.00 0.13 H new ATOM 0 HG LEU B 73 1.720 11.307 -2.381 1.00 0.12 H new ATOM 0 HD11 LEU B 73 1.985 11.972 -4.736 1.00 0.08 H new ATOM 0 HD12 LEU B 73 3.530 12.033 -3.855 1.00 0.08 H new ATOM 0 HD13 LEU B 73 3.189 10.681 -4.961 1.00 0.08 H new ATOM 0 HD21 LEU B 73 0.258 10.329 -4.106 1.00 0.15 H new ATOM 0 HD22 LEU B 73 1.399 8.977 -4.299 1.00 0.15 H new ATOM 0 HD23 LEU B 73 0.535 9.200 -2.759 1.00 0.15 H new ATOM 2573 N LYS B 74 2.960 10.769 0.557 1.00 0.11 N ATOM 2574 CA LYS B 74 2.243 11.507 1.590 1.00 0.10 C ATOM 2575 C LYS B 74 3.183 12.458 2.323 1.00 0.13 C ATOM 2576 O LYS B 74 2.768 13.521 2.790 1.00 0.13 O ATOM 2577 CB LYS B 74 1.534 10.556 2.572 1.00 0.12 C ATOM 2578 CG LYS B 74 2.457 9.684 3.424 1.00 0.20 C ATOM 2579 CD LYS B 74 2.951 10.403 4.679 1.00 0.28 C ATOM 2580 CE LYS B 74 1.903 10.442 5.782 1.00 0.32 C ATOM 2581 NZ LYS B 74 2.395 11.174 6.977 1.00 0.43 N1+ ATOM 0 H LYS B 74 3.044 9.767 0.728 1.00 0.11 H new ATOM 0 HA LYS B 74 1.472 12.103 1.102 1.00 0.10 H new ATOM 0 HB2 LYS B 74 0.907 11.150 3.237 1.00 0.12 H new ATOM 0 HB3 LYS B 74 0.869 9.905 2.004 1.00 0.12 H new ATOM 0 HG2 LYS B 74 1.928 8.776 3.714 1.00 0.20 H new ATOM 0 HG3 LYS B 74 3.314 9.375 2.825 1.00 0.20 H new ATOM 0 HD2 LYS B 74 3.846 9.904 5.051 1.00 0.28 H new ATOM 0 HD3 LYS B 74 3.239 11.422 4.420 1.00 0.28 H new ATOM 0 HE2 LYS B 74 0.998 10.921 5.408 1.00 0.32 H new ATOM 0 HE3 LYS B 74 1.632 9.424 6.064 1.00 0.32 H new ATOM 0 HZ1 LYS B 74 1.623 11.270 7.668 1.00 0.43 H new ATOM 0 HZ2 LYS B 74 3.182 10.647 7.407 1.00 0.43 H new ATOM 0 HZ3 LYS B 74 2.725 12.119 6.694 1.00 0.43 H new ATOM 2595 N GLU B 75 4.455 12.075 2.410 1.00 0.17 N ATOM 2596 CA GLU B 75 5.453 12.899 3.074 1.00 0.20 C ATOM 2597 C GLU B 75 5.718 14.144 2.238 1.00 0.16 C ATOM 2598 O GLU B 75 6.015 15.216 2.762 1.00 0.20 O ATOM 2599 CB GLU B 75 6.751 12.119 3.287 1.00 0.27 C ATOM 2600 CG GLU B 75 7.464 12.489 4.576 1.00 0.36 C ATOM 2601 CD GLU B 75 6.924 11.739 5.782 1.00 0.45 C ATOM 2602 OE1 GLU B 75 5.692 11.677 5.952 1.00 0.55 O ATOM 2603 OE2 GLU B 75 7.734 11.197 6.567 1.00 0.44 O1- ATOM 0 H GLU B 75 4.815 11.200 2.029 1.00 0.17 H new ATOM 0 HA GLU B 75 5.073 13.192 4.053 1.00 0.20 H new ATOM 0 HB2 GLU B 75 6.529 11.052 3.295 1.00 0.27 H new ATOM 0 HB3 GLU B 75 7.419 12.300 2.445 1.00 0.27 H new ATOM 0 HG2 GLU B 75 8.529 12.280 4.470 1.00 0.36 H new ATOM 0 HG3 GLU B 75 7.365 13.561 4.746 1.00 0.36 H new ATOM 2610 N GLU B 76 5.601 13.983 0.927 1.00 0.13 N ATOM 2611 CA GLU B 76 5.793 15.081 -0.008 1.00 0.11 C ATOM 2612 C GLU B 76 4.729 16.145 0.231 1.00 0.08 C ATOM 2613 O GLU B 76 5.012 17.344 0.217 1.00 0.08 O ATOM 2614 CB GLU B 76 5.715 14.566 -1.448 1.00 0.17 C ATOM 2615 CG GLU B 76 5.850 15.651 -2.502 1.00 0.18 C ATOM 2616 CD GLU B 76 6.951 15.356 -3.496 1.00 0.21 C ATOM 2617 OE1 GLU B 76 8.084 15.060 -3.062 1.00 0.34 O1- ATOM 2618 OE2 GLU B 76 6.692 15.420 -4.715 1.00 0.20 O ATOM 0 H GLU B 76 5.372 13.093 0.485 1.00 0.13 H new ATOM 0 HA GLU B 76 6.778 15.520 0.149 1.00 0.11 H new ATOM 0 HB2 GLU B 76 6.500 13.826 -1.601 1.00 0.17 H new ATOM 0 HB3 GLU B 76 4.763 14.054 -1.589 1.00 0.17 H new ATOM 0 HG2 GLU B 76 4.904 15.758 -3.033 1.00 0.18 H new ATOM 0 HG3 GLU B 76 6.051 16.605 -2.014 1.00 0.18 H new ATOM 2625 N TYR B 77 3.509 15.675 0.472 1.00 0.07 N ATOM 2626 CA TYR B 77 2.369 16.544 0.733 1.00 0.11 C ATOM 2627 C TYR B 77 2.666 17.484 1.896 1.00 0.13 C ATOM 2628 O TYR B 77 2.689 18.702 1.728 1.00 0.22 O ATOM 2629 CB TYR B 77 1.126 15.684 1.030 1.00 0.13 C ATOM 2630 CG TYR B 77 -0.052 16.423 1.649 1.00 0.15 C ATOM 2631 CD1 TYR B 77 -0.361 17.731 1.295 1.00 0.22 C ATOM 2632 CD2 TYR B 77 -0.865 15.794 2.583 1.00 0.12 C ATOM 2633 CE1 TYR B 77 -1.441 18.390 1.854 1.00 0.25 C ATOM 2634 CE2 TYR B 77 -1.947 16.446 3.149 1.00 0.14 C ATOM 2635 CZ TYR B 77 -2.230 17.746 2.780 1.00 0.20 C ATOM 2636 OH TYR B 77 -3.307 18.404 3.335 1.00 0.23 O ATOM 0 H TYR B 77 3.284 14.680 0.492 1.00 0.07 H new ATOM 0 HA TYR B 77 2.176 17.155 -0.149 1.00 0.11 H new ATOM 0 HB2 TYR B 77 0.794 15.223 0.100 1.00 0.13 H new ATOM 0 HB3 TYR B 77 1.417 14.875 1.700 1.00 0.13 H new ATOM 0 HD1 TYR B 77 0.254 18.243 0.569 1.00 0.22 H new ATOM 0 HD2 TYR B 77 -0.649 14.776 2.873 1.00 0.12 H new ATOM 0 HE1 TYR B 77 -1.664 19.406 1.565 1.00 0.25 H new ATOM 0 HE2 TYR B 77 -2.566 15.941 3.875 1.00 0.14 H new ATOM 0 HH TYR B 77 -3.761 17.811 3.969 1.00 0.23 H new ATOM 2646 N GLN B 78 2.920 16.911 3.061 1.00 0.22 N ATOM 2647 CA GLN B 78 3.198 17.704 4.251 1.00 0.30 C ATOM 2648 C GLN B 78 4.483 18.522 4.109 1.00 0.37 C ATOM 2649 O GLN B 78 4.580 19.613 4.661 1.00 0.84 O ATOM 2650 CB GLN B 78 3.247 16.817 5.503 1.00 0.28 C ATOM 2651 CG GLN B 78 4.324 15.741 5.490 1.00 0.17 C ATOM 2652 CD GLN B 78 4.126 14.722 6.594 1.00 0.26 C ATOM 2653 OE1 GLN B 78 3.376 13.755 6.436 1.00 0.53 O ATOM 2654 NE2 GLN B 78 4.787 14.932 7.722 1.00 0.24 N ATOM 0 H GLN B 78 2.940 15.902 3.210 1.00 0.22 H new ATOM 0 HA GLN B 78 2.377 18.412 4.364 1.00 0.30 H new ATOM 0 HB2 GLN B 78 3.401 17.453 6.374 1.00 0.28 H new ATOM 0 HB3 GLN B 78 2.277 16.336 5.627 1.00 0.28 H new ATOM 0 HG2 GLN B 78 4.318 15.235 4.525 1.00 0.17 H new ATOM 0 HG3 GLN B 78 5.303 16.207 5.599 1.00 0.17 H new ATOM 0 HE21 GLN B 78 5.397 15.744 7.812 1.00 0.24 H new ATOM 0 HE22 GLN B 78 4.686 14.282 8.501 1.00 0.24 H new ATOM 2663 N ARG B 79 5.443 18.014 3.343 1.00 0.28 N ATOM 2664 CA ARG B 79 6.714 18.707 3.144 1.00 0.30 C ATOM 2665 C ARG B 79 6.533 20.038 2.412 1.00 0.27 C ATOM 2666 O ARG B 79 7.099 21.055 2.808 1.00 0.23 O ATOM 2667 CB ARG B 79 7.689 17.829 2.360 1.00 0.34 C ATOM 2668 CG ARG B 79 9.101 18.390 2.310 1.00 0.63 C ATOM 2669 CD ARG B 79 9.986 17.577 1.383 1.00 0.85 C ATOM 2670 NE ARG B 79 9.776 17.921 -0.024 1.00 1.45 N ATOM 2671 CZ ARG B 79 9.324 17.068 -0.946 1.00 1.28 C ATOM 2672 NH1 ARG B 79 9.031 15.812 -0.623 1.00 0.73 N1+ ATOM 2673 NH2 ARG B 79 9.176 17.466 -2.202 1.00 2.05 N ATOM 0 H ARG B 79 5.366 17.125 2.849 1.00 0.28 H new ATOM 0 HA ARG B 79 7.120 18.914 4.134 1.00 0.30 H new ATOM 0 HB2 ARG B 79 7.716 16.837 2.811 1.00 0.34 H new ATOM 0 HB3 ARG B 79 7.318 17.707 1.342 1.00 0.34 H new ATOM 0 HG2 ARG B 79 9.071 19.426 1.972 1.00 0.63 H new ATOM 0 HG3 ARG B 79 9.528 18.394 3.313 1.00 0.63 H new ATOM 0 HD2 ARG B 79 11.031 17.743 1.644 1.00 0.85 H new ATOM 0 HD3 ARG B 79 9.785 16.516 1.530 1.00 0.85 H new ATOM 0 HE ARG B 79 9.989 18.874 -0.319 1.00 1.45 H new ATOM 0 HH11 ARG B 79 9.151 15.491 0.338 1.00 0.73 H new ATOM 0 HH12 ARG B 79 8.686 15.169 -1.336 1.00 0.73 H new ATOM 0 HH21 ARG B 79 9.408 18.424 -2.464 1.00 2.05 H new ATOM 0 HH22 ARG B 79 8.831 16.814 -2.906 1.00 2.05 H new ATOM 2687 N LEU B 80 5.743 20.036 1.348 1.00 0.30 N ATOM 2688 CA LEU B 80 5.525 21.253 0.571 1.00 0.28 C ATOM 2689 C LEU B 80 4.549 22.196 1.276 1.00 0.23 C ATOM 2690 O LEU B 80 4.504 23.392 0.983 1.00 0.28 O ATOM 2691 CB LEU B 80 5.015 20.914 -0.837 1.00 0.31 C ATOM 2692 CG LEU B 80 3.531 20.526 -0.928 1.00 0.48 C ATOM 2693 CD1 LEU B 80 2.698 21.672 -1.485 1.00 0.79 C ATOM 2694 CD2 LEU B 80 3.347 19.279 -1.775 1.00 0.44 C ATOM 0 H LEU B 80 5.245 19.215 1.003 1.00 0.30 H new ATOM 0 HA LEU B 80 6.484 21.764 0.482 1.00 0.28 H new ATOM 0 HB2 LEU B 80 5.188 21.774 -1.484 1.00 0.31 H new ATOM 0 HB3 LEU B 80 5.612 20.092 -1.233 1.00 0.31 H new ATOM 0 HG LEU B 80 3.183 20.311 0.082 1.00 0.48 H new ATOM 0 HD11 LEU B 80 1.652 21.369 -1.538 1.00 0.79 H new ATOM 0 HD12 LEU B 80 2.792 22.540 -0.833 1.00 0.79 H new ATOM 0 HD13 LEU B 80 3.053 21.928 -2.483 1.00 0.79 H new ATOM 0 HD21 LEU B 80 2.288 19.025 -1.824 1.00 0.44 H new ATOM 0 HD22 LEU B 80 3.723 19.464 -2.781 1.00 0.44 H new ATOM 0 HD23 LEU B 80 3.898 18.451 -1.329 1.00 0.44 H new ATOM 2706 N ARG B 81 3.771 21.657 2.203 1.00 0.20 N ATOM 2707 CA ARG B 81 2.801 22.460 2.933 1.00 0.15 C ATOM 2708 C ARG B 81 3.439 23.104 4.158 1.00 0.15 C ATOM 2709 O ARG B 81 3.153 24.257 4.486 1.00 0.43 O ATOM 2710 CB ARG B 81 1.602 21.603 3.335 1.00 0.22 C ATOM 2711 CG ARG B 81 0.814 21.087 2.140 1.00 0.32 C ATOM 2712 CD ARG B 81 -0.400 21.952 1.840 1.00 0.65 C ATOM 2713 NE ARG B 81 -0.058 23.368 1.689 1.00 1.05 N ATOM 2714 CZ ARG B 81 -0.734 24.368 2.257 1.00 1.70 C ATOM 2715 NH1 ARG B 81 -1.761 24.117 3.059 1.00 2.04 N1+ ATOM 2716 NH2 ARG B 81 -0.366 25.624 2.028 1.00 2.12 N ATOM 0 H ARG B 81 3.792 20.672 2.467 1.00 0.20 H new ATOM 0 HA ARG B 81 2.453 23.259 2.278 1.00 0.15 H new ATOM 0 HB2 ARG B 81 1.949 20.756 3.927 1.00 0.22 H new ATOM 0 HB3 ARG B 81 0.941 22.189 3.974 1.00 0.22 H new ATOM 0 HG2 ARG B 81 1.462 21.056 1.264 1.00 0.32 H new ATOM 0 HG3 ARG B 81 0.491 20.064 2.333 1.00 0.32 H new ATOM 0 HD2 ARG B 81 -0.877 21.598 0.926 1.00 0.65 H new ATOM 0 HD3 ARG B 81 -1.128 21.841 2.644 1.00 0.65 H new ATOM 0 HE ARG B 81 0.749 23.605 1.112 1.00 1.05 H new ATOM 0 HH11 ARG B 81 -2.039 23.153 3.245 1.00 2.04 H new ATOM 0 HH12 ARG B 81 -2.272 24.888 3.489 1.00 2.04 H new ATOM 0 HH21 ARG B 81 0.430 25.820 1.421 1.00 2.12 H new ATOM 0 HH22 ARG B 81 -0.879 26.393 2.460 1.00 2.12 H new