USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=36 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: A 21 TYR OH : rot 180:sc= -1.31 USER MOD Set 1.2: B 57 LYS NZ :NH3+ 163:sc= 0.0298 (180deg=0) USER MOD Set 2.1: B 42 LYS NZ :NH3+ 173:sc= 2.21 (180deg=1.08) USER MOD Set 2.2: B 65 GLN : amide:sc= 0.788 K(o=3,f=-8.2!) USER MOD Set 3.1: B 17 TYR OH : rot 50:sc= 0.633 USER MOD Set 3.2: B 47 SER OG : rot 67:sc= 1.79 USER MOD Set 4.1: A 17 TYR OH : rot 48:sc= 0.566 USER MOD Set 4.2: A 47 SER OG : rot 78:sc= 1.8 USER MOD Set 5.1: A 19 GLN : amide:sc= 0.22 K(o=0.11,f=-1.9!) USER MOD Set 5.2: B 52 MET CE :methyl -162:sc= -0.115 (180deg=-0.557) USER MOD Single : A 10 THR OG1 : rot 180:sc=-0.00509 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.04 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0699 USER MOD Single : A 31 HIS : no HE2:sc= 0.3 K(o=0.3,f=-6!) USER MOD Single : A 42 LYS NZ :NH3+ -178:sc= 1.88 (180deg=1.84) USER MOD Single : A 43 MET CE :methyl 133:sc= -0.136 (180deg=-0.693) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 52 MET CE :methyl -166:sc= -0.0577 (180deg=-0.393) USER MOD Single : A 57 LYS NZ :NH3+ -132:sc= 0.969 (180deg=-0.391) USER MOD Single : A 62 THR OG1 : rot 64:sc= 0.724 USER MOD Single : A 65 GLN :FLIP amide:sc= 0.644 F(o=-0.15,f=0.64) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 150:sc= -1.87 USER MOD Single : A 72 LYS NZ :NH3+ -118:sc= 2.35 (180deg=-0.705) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.056 K(o=-0.056,f=-2.5!) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 SER OG : rot 180:sc= 0 USER MOD Single : B 19 GLN : amide:sc= -0.633 X(o=-0.63,f=-1.1) USER MOD Single : B 21 TYR OH : rot 180:sc= -1.68! USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 SER OG : rot -98:sc= -0.421! USER MOD Single : B 31 HIS : no HE2:sc= -0.327 K(o=-0.33,f=-5.9!) USER MOD Single : B 43 MET CE :methyl 145:sc= -0.692 (180deg=-3.93!) USER MOD Single : B 44 HIS : no HE2:sc= 0.103 K(o=0.1,f=-0.88) 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 62 THR OG1 : rot -46:sc= 1.07 USER MOD Single : B 68 SER OG : rot -84:sc= 1.12 USER MOD Single : B 70 TYR OH : rot 30:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ -106:sc= 2.49 (180deg=-0.791) USER MOD Single : B 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 77 TYR OH : rot 81:sc= 1.29 USER MOD Single : B 78 GLN : amide:sc= -0.187 K(o=-0.19,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 138 N THR A 10 18.947 1.785 -5.246 1.00 0.30 N ATOM 139 CA THR A 10 19.577 0.506 -4.978 1.00 0.36 C ATOM 140 C THR A 10 18.586 -0.450 -4.323 1.00 0.30 C ATOM 141 O THR A 10 17.559 -0.021 -3.788 1.00 0.27 O ATOM 142 CB THR A 10 20.821 0.686 -4.070 1.00 0.49 C ATOM 143 OG1 THR A 10 21.519 -0.557 -3.910 1.00 0.62 O ATOM 144 CG2 THR A 10 20.426 1.224 -2.699 1.00 0.60 C ATOM 0 HA THR A 10 19.900 0.082 -5.929 1.00 0.36 H new ATOM 0 HB THR A 10 21.479 1.407 -4.556 1.00 0.49 H new ATOM 0 HG1 THR A 10 22.301 -0.421 -3.335 1.00 0.62 H new ATOM 0 HG21 THR A 10 21.318 1.340 -2.083 1.00 0.60 H new ATOM 0 HG22 THR A 10 19.936 2.191 -2.815 1.00 0.60 H new ATOM 0 HG23 THR A 10 19.741 0.526 -2.218 1.00 0.60 H new ATOM 152 N ARG A 11 18.884 -1.740 -4.377 1.00 0.30 N ATOM 153 CA ARG A 11 18.017 -2.740 -3.777 1.00 0.26 C ATOM 154 C ARG A 11 18.451 -3.009 -2.341 1.00 0.21 C ATOM 155 O ARG A 11 19.644 -3.052 -2.038 1.00 0.22 O ATOM 156 CB ARG A 11 18.022 -4.044 -4.589 1.00 0.32 C ATOM 157 CG ARG A 11 19.392 -4.691 -4.723 1.00 0.40 C ATOM 158 CD ARG A 11 19.284 -6.141 -5.170 1.00 0.55 C ATOM 159 NE ARG A 11 18.686 -6.269 -6.498 1.00 0.68 N ATOM 160 CZ ARG A 11 18.445 -7.433 -7.095 1.00 1.07 C ATOM 161 NH1 ARG A 11 18.801 -8.572 -6.513 1.00 1.36 N1+ ATOM 162 NH2 ARG A 11 17.864 -7.452 -8.286 1.00 1.17 N ATOM 0 H ARG A 11 19.717 -2.117 -4.829 1.00 0.30 H new ATOM 0 HA ARG A 11 16.998 -2.352 -3.778 1.00 0.26 H new ATOM 0 HB2 ARG A 11 17.342 -4.754 -4.119 1.00 0.32 H new ATOM 0 HB3 ARG A 11 17.630 -3.840 -5.585 1.00 0.32 H new ATOM 0 HG2 ARG A 11 19.991 -4.132 -5.442 1.00 0.40 H new ATOM 0 HG3 ARG A 11 19.913 -4.642 -3.767 1.00 0.40 H new ATOM 0 HD2 ARG A 11 20.276 -6.592 -5.176 1.00 0.55 H new ATOM 0 HD3 ARG A 11 18.685 -6.698 -4.449 1.00 0.55 H new ATOM 0 HE ARG A 11 18.439 -5.414 -6.997 1.00 0.68 H new ATOM 0 HH11 ARG A 11 19.262 -8.558 -5.603 1.00 1.36 H new ATOM 0 HH12 ARG A 11 18.614 -9.461 -6.976 1.00 1.36 H new ATOM 0 HH21 ARG A 11 17.604 -6.577 -8.741 1.00 1.17 H new ATOM 0 HH22 ARG A 11 17.677 -8.342 -8.748 1.00 1.17 H new ATOM 176 N VAL A 12 17.477 -3.178 -1.466 1.00 0.16 N ATOM 177 CA VAL A 12 17.738 -3.436 -0.062 1.00 0.12 C ATOM 178 C VAL A 12 16.973 -4.670 0.402 1.00 0.14 C ATOM 179 O VAL A 12 15.865 -4.941 -0.071 1.00 0.18 O ATOM 180 CB VAL A 12 17.351 -2.215 0.808 1.00 0.09 C ATOM 181 CG1 VAL A 12 15.867 -1.900 0.675 1.00 0.08 C ATOM 182 CG2 VAL A 12 17.726 -2.442 2.266 1.00 0.12 C ATOM 0 H VAL A 12 16.487 -3.141 -1.707 1.00 0.16 H new ATOM 0 HA VAL A 12 18.807 -3.616 0.054 1.00 0.12 H new ATOM 0 HB VAL A 12 17.914 -1.355 0.445 1.00 0.09 H new ATOM 0 HG11 VAL A 12 15.621 -1.039 1.296 1.00 0.08 H new ATOM 0 HG12 VAL A 12 15.635 -1.675 -0.366 1.00 0.08 H new ATOM 0 HG13 VAL A 12 15.282 -2.760 1.000 1.00 0.08 H new ATOM 0 HG21 VAL A 12 17.443 -1.569 2.855 1.00 0.12 H new ATOM 0 HG22 VAL A 12 17.202 -3.320 2.644 1.00 0.12 H new ATOM 0 HG23 VAL A 12 18.802 -2.600 2.345 1.00 0.12 H new ATOM 192 N SER A 13 17.576 -5.430 1.300 1.00 0.14 N ATOM 193 CA SER A 13 16.942 -6.624 1.831 1.00 0.17 C ATOM 194 C SER A 13 16.253 -6.306 3.154 1.00 0.12 C ATOM 195 O SER A 13 16.897 -5.832 4.096 1.00 0.15 O ATOM 196 CB SER A 13 17.982 -7.720 2.039 1.00 0.25 C ATOM 197 OG SER A 13 18.968 -7.690 1.019 1.00 0.56 O ATOM 0 H SER A 13 18.505 -5.241 1.677 1.00 0.14 H new ATOM 0 HA SER A 13 16.196 -6.973 1.117 1.00 0.17 H new ATOM 0 HB2 SER A 13 18.457 -7.595 3.012 1.00 0.25 H new ATOM 0 HB3 SER A 13 17.492 -8.694 2.047 1.00 0.25 H new ATOM 0 HG SER A 13 19.623 -8.401 1.177 1.00 0.56 H new ATOM 203 N VAL A 14 14.950 -6.542 3.220 1.00 0.06 N ATOM 204 CA VAL A 14 14.183 -6.284 4.432 1.00 0.08 C ATOM 205 C VAL A 14 13.457 -7.549 4.869 1.00 0.08 C ATOM 206 O VAL A 14 13.044 -8.354 4.038 1.00 0.12 O ATOM 207 CB VAL A 14 13.168 -5.133 4.249 1.00 0.09 C ATOM 208 CG1 VAL A 14 13.885 -3.803 4.080 1.00 0.10 C ATOM 209 CG2 VAL A 14 12.241 -5.396 3.069 1.00 0.09 C ATOM 0 H VAL A 14 14.400 -6.913 2.446 1.00 0.06 H new ATOM 0 HA VAL A 14 14.890 -5.978 5.203 1.00 0.08 H new ATOM 0 HB VAL A 14 12.557 -5.083 5.150 1.00 0.09 H new ATOM 0 HG11 VAL A 14 13.151 -3.007 3.953 1.00 0.10 H new ATOM 0 HG12 VAL A 14 14.490 -3.601 4.964 1.00 0.10 H new ATOM 0 HG13 VAL A 14 14.529 -3.846 3.202 1.00 0.10 H new ATOM 0 HG21 VAL A 14 11.539 -4.569 2.966 1.00 0.09 H new ATOM 0 HG22 VAL A 14 12.830 -5.487 2.157 1.00 0.09 H new ATOM 0 HG23 VAL A 14 11.690 -6.321 3.239 1.00 0.09 H new ATOM 219 N ARG A 15 13.293 -7.723 6.171 1.00 0.05 N ATOM 220 CA ARG A 15 12.639 -8.913 6.694 1.00 0.05 C ATOM 221 C ARG A 15 11.188 -8.636 7.086 1.00 0.04 C ATOM 222 O ARG A 15 10.923 -7.837 7.983 1.00 0.07 O ATOM 223 CB ARG A 15 13.417 -9.437 7.900 1.00 0.06 C ATOM 224 CG ARG A 15 13.158 -10.903 8.205 1.00 0.06 C ATOM 225 CD ARG A 15 14.062 -11.418 9.312 1.00 0.11 C ATOM 226 NE ARG A 15 13.830 -12.833 9.594 1.00 0.16 N ATOM 227 CZ ARG A 15 14.110 -13.418 10.756 1.00 0.20 C ATOM 228 NH1 ARG A 15 14.665 -12.726 11.743 1.00 0.20 N1+ ATOM 229 NH2 ARG A 15 13.845 -14.705 10.926 1.00 0.26 N ATOM 0 H ARG A 15 13.602 -7.060 6.882 1.00 0.05 H new ATOM 0 HA ARG A 15 12.628 -9.666 5.906 1.00 0.05 H new ATOM 0 HB2 ARG A 15 14.483 -9.295 7.723 1.00 0.06 H new ATOM 0 HB3 ARG A 15 13.157 -8.842 8.775 1.00 0.06 H new ATOM 0 HG2 ARG A 15 12.116 -11.035 8.496 1.00 0.06 H new ATOM 0 HG3 ARG A 15 13.315 -11.495 7.303 1.00 0.06 H new ATOM 0 HD2 ARG A 15 15.104 -11.271 9.027 1.00 0.11 H new ATOM 0 HD3 ARG A 15 13.894 -10.835 10.218 1.00 0.11 H new ATOM 0 HE ARG A 15 13.428 -13.408 8.854 1.00 0.16 H new ATOM 0 HH11 ARG A 15 14.880 -11.737 11.614 1.00 0.20 H new ATOM 0 HH12 ARG A 15 14.876 -13.183 12.630 1.00 0.20 H new ATOM 0 HH21 ARG A 15 13.428 -15.244 10.167 1.00 0.26 H new ATOM 0 HH22 ARG A 15 14.058 -15.156 11.815 1.00 0.26 H new ATOM 243 N ILE A 16 10.256 -9.298 6.410 1.00 0.03 N ATOM 244 CA ILE A 16 8.833 -9.144 6.685 1.00 0.04 C ATOM 245 C ILE A 16 8.228 -10.502 7.009 1.00 0.04 C ATOM 246 O ILE A 16 8.414 -11.461 6.256 1.00 0.04 O ATOM 247 CB ILE A 16 8.066 -8.537 5.491 1.00 0.05 C ATOM 248 CG1 ILE A 16 8.922 -7.495 4.766 1.00 0.08 C ATOM 249 CG2 ILE A 16 6.765 -7.912 5.972 1.00 0.06 C ATOM 250 CD1 ILE A 16 8.437 -7.172 3.369 1.00 0.07 C ATOM 0 H ILE A 16 10.465 -9.955 5.658 1.00 0.03 H new ATOM 0 HA ILE A 16 8.741 -8.462 7.530 1.00 0.04 H new ATOM 0 HB ILE A 16 7.836 -9.336 4.786 1.00 0.05 H new ATOM 0 HG12 ILE A 16 8.939 -6.578 5.356 1.00 0.08 H new ATOM 0 HG13 ILE A 16 9.949 -7.857 4.710 1.00 0.08 H new ATOM 0 HG21 ILE A 16 6.230 -7.486 5.123 1.00 0.06 H new ATOM 0 HG22 ILE A 16 6.147 -8.676 6.444 1.00 0.06 H new ATOM 0 HG23 ILE A 16 6.984 -7.126 6.694 1.00 0.06 H new ATOM 0 HD11 ILE A 16 9.093 -6.427 2.919 1.00 0.07 H new ATOM 0 HD12 ILE A 16 8.446 -8.077 2.762 1.00 0.07 H new ATOM 0 HD13 ILE A 16 7.422 -6.779 3.418 1.00 0.07 H new ATOM 262 N TYR A 17 7.537 -10.583 8.141 1.00 0.08 N ATOM 263 CA TYR A 17 6.895 -11.817 8.592 1.00 0.11 C ATOM 264 C TYR A 17 7.919 -12.939 8.795 1.00 0.19 C ATOM 265 O TYR A 17 7.577 -14.123 8.781 1.00 0.56 O ATOM 266 CB TYR A 17 5.799 -12.256 7.612 1.00 0.04 C ATOM 267 CG TYR A 17 4.543 -12.754 8.299 1.00 0.09 C ATOM 268 CD1 TYR A 17 3.696 -11.875 8.969 1.00 0.18 C ATOM 269 CD2 TYR A 17 4.205 -14.102 8.283 1.00 0.08 C ATOM 270 CE1 TYR A 17 2.552 -12.326 9.601 1.00 0.23 C ATOM 271 CE2 TYR A 17 3.061 -14.561 8.913 1.00 0.12 C ATOM 272 CZ TYR A 17 2.236 -13.669 9.571 1.00 0.20 C ATOM 273 OH TYR A 17 1.097 -14.123 10.206 1.00 0.25 O ATOM 0 H TYR A 17 7.405 -9.794 8.774 1.00 0.08 H new ATOM 0 HA TYR A 17 6.430 -11.611 9.556 1.00 0.11 H new ATOM 0 HB2 TYR A 17 5.542 -11.417 6.965 1.00 0.04 H new ATOM 0 HB3 TYR A 17 6.191 -13.045 6.970 1.00 0.04 H new ATOM 0 HD1 TYR A 17 3.937 -10.823 8.995 1.00 0.18 H new ATOM 0 HD2 TYR A 17 4.846 -14.804 7.770 1.00 0.08 H new ATOM 0 HE1 TYR A 17 1.908 -11.629 10.117 1.00 0.23 H new ATOM 0 HE2 TYR A 17 2.814 -15.612 8.890 1.00 0.12 H new ATOM 0 HH TYR A 17 0.337 -13.556 9.959 1.00 0.25 H new ATOM 283 N GLY A 18 9.181 -12.556 8.974 1.00 0.18 N ATOM 284 CA GLY A 18 10.232 -13.531 9.203 1.00 0.13 C ATOM 285 C GLY A 18 11.058 -13.849 7.969 1.00 0.05 C ATOM 286 O GLY A 18 12.123 -14.456 8.080 1.00 0.11 O ATOM 0 H GLY A 18 9.494 -11.585 8.964 1.00 0.18 H new ATOM 0 HA2 GLY A 18 10.894 -13.160 9.985 1.00 0.13 H new ATOM 0 HA3 GLY A 18 9.784 -14.452 9.575 1.00 0.13 H new ATOM 290 N GLN A 19 10.600 -13.425 6.802 1.00 0.05 N ATOM 291 CA GLN A 19 11.321 -13.707 5.565 1.00 0.10 C ATOM 292 C GLN A 19 11.980 -12.443 5.009 1.00 0.05 C ATOM 293 O GLN A 19 11.427 -11.350 5.111 1.00 0.08 O ATOM 294 CB GLN A 19 10.367 -14.312 4.531 1.00 0.19 C ATOM 295 CG GLN A 19 10.919 -15.541 3.818 1.00 0.14 C ATOM 296 CD GLN A 19 12.158 -15.235 3.004 1.00 0.49 C ATOM 297 OE1 GLN A 19 13.281 -15.372 3.487 1.00 0.68 O ATOM 298 NE2 GLN A 19 11.969 -14.804 1.767 1.00 0.67 N ATOM 0 H GLN A 19 9.741 -12.889 6.682 1.00 0.05 H new ATOM 0 HA GLN A 19 12.111 -14.425 5.785 1.00 0.10 H new ATOM 0 HB2 GLN A 19 9.434 -14.581 5.027 1.00 0.19 H new ATOM 0 HB3 GLN A 19 10.125 -13.552 3.788 1.00 0.19 H new ATOM 0 HG2 GLN A 19 11.154 -16.309 4.555 1.00 0.14 H new ATOM 0 HG3 GLN A 19 10.151 -15.952 3.163 1.00 0.14 H new ATOM 0 HE21 GLN A 19 11.022 -14.703 1.401 1.00 0.67 H new ATOM 0 HE22 GLN A 19 12.770 -14.573 1.180 1.00 0.67 H new ATOM 307 N ASP A 20 13.159 -12.607 4.425 1.00 0.12 N ATOM 308 CA ASP A 20 13.913 -11.493 3.853 1.00 0.10 C ATOM 309 C ASP A 20 13.568 -11.309 2.376 1.00 0.09 C ATOM 310 O ASP A 20 13.536 -12.274 1.611 1.00 0.10 O ATOM 311 CB ASP A 20 15.414 -11.745 4.014 1.00 0.17 C ATOM 312 CG ASP A 20 16.263 -10.685 3.347 1.00 0.39 C ATOM 313 OD1 ASP A 20 16.361 -9.567 3.894 1.00 0.55 O ATOM 314 OD2 ASP A 20 16.859 -10.978 2.286 1.00 0.49 O1- ATOM 0 H ASP A 20 13.621 -13.512 4.333 1.00 0.12 H new ATOM 0 HA ASP A 20 13.643 -10.581 4.385 1.00 0.10 H new ATOM 0 HB2 ASP A 20 15.659 -11.785 5.075 1.00 0.17 H new ATOM 0 HB3 ASP A 20 15.661 -12.720 3.593 1.00 0.17 H new ATOM 319 N TYR A 21 13.292 -10.068 1.985 1.00 0.07 N ATOM 320 CA TYR A 21 12.942 -9.752 0.604 1.00 0.07 C ATOM 321 C TYR A 21 13.767 -8.582 0.085 1.00 0.07 C ATOM 322 O TYR A 21 14.000 -7.609 0.802 1.00 0.16 O ATOM 323 CB TYR A 21 11.456 -9.398 0.492 1.00 0.05 C ATOM 324 CG TYR A 21 10.533 -10.444 1.075 1.00 0.07 C ATOM 325 CD1 TYR A 21 10.242 -11.607 0.376 1.00 0.15 C ATOM 326 CD2 TYR A 21 9.958 -10.269 2.325 1.00 0.05 C ATOM 327 CE1 TYR A 21 9.403 -12.565 0.908 1.00 0.17 C ATOM 328 CE2 TYR A 21 9.120 -11.226 2.864 1.00 0.08 C ATOM 329 CZ TYR A 21 8.847 -12.370 2.151 1.00 0.12 C ATOM 330 OH TYR A 21 8.011 -13.325 2.683 1.00 0.15 O ATOM 0 H TYR A 21 13.304 -9.261 2.609 1.00 0.07 H new ATOM 0 HA TYR A 21 13.155 -10.636 0.003 1.00 0.07 H new ATOM 0 HB2 TYR A 21 11.279 -8.449 0.998 1.00 0.05 H new ATOM 0 HB3 TYR A 21 11.205 -9.251 -0.559 1.00 0.05 H new ATOM 0 HD1 TYR A 21 10.679 -11.765 -0.599 1.00 0.15 H new ATOM 0 HD2 TYR A 21 10.169 -9.370 2.886 1.00 0.05 H new ATOM 0 HE1 TYR A 21 9.184 -13.464 0.351 1.00 0.17 H new ATOM 0 HE2 TYR A 21 8.682 -11.077 3.840 1.00 0.08 H new ATOM 0 HH TYR A 21 7.704 -13.035 3.567 1.00 0.15 H new ATOM 340 N THR A 22 14.204 -8.683 -1.163 1.00 0.19 N ATOM 341 CA THR A 22 14.986 -7.632 -1.790 1.00 0.20 C ATOM 342 C THR A 22 14.081 -6.686 -2.571 1.00 0.21 C ATOM 343 O THR A 22 13.444 -7.087 -3.547 1.00 0.38 O ATOM 344 CB THR A 22 16.045 -8.220 -2.737 1.00 0.25 C ATOM 345 OG1 THR A 22 15.539 -9.419 -3.345 1.00 0.19 O ATOM 346 CG2 THR A 22 17.335 -8.526 -1.987 1.00 0.32 C ATOM 0 H THR A 22 14.027 -9.489 -1.763 1.00 0.19 H new ATOM 0 HA THR A 22 15.491 -7.079 -0.997 1.00 0.20 H new ATOM 0 HB THR A 22 16.264 -7.483 -3.510 1.00 0.25 H new ATOM 0 HG1 THR A 22 16.216 -9.790 -3.949 1.00 0.19 H new ATOM 0 HG21 THR A 22 18.068 -8.941 -2.679 1.00 0.32 H new ATOM 0 HG22 THR A 22 17.728 -7.608 -1.549 1.00 0.32 H new ATOM 0 HG23 THR A 22 17.133 -9.248 -1.196 1.00 0.32 H new ATOM 354 N ILE A 23 14.024 -5.435 -2.141 1.00 0.16 N ATOM 355 CA ILE A 23 13.186 -4.436 -2.792 1.00 0.16 C ATOM 356 C ILE A 23 13.995 -3.198 -3.161 1.00 0.15 C ATOM 357 O ILE A 23 15.110 -3.013 -2.677 1.00 0.13 O ATOM 358 CB ILE A 23 12.004 -4.015 -1.890 1.00 0.17 C ATOM 359 CG1 ILE A 23 12.519 -3.578 -0.511 1.00 0.05 C ATOM 360 CG2 ILE A 23 11.000 -5.155 -1.768 1.00 0.31 C ATOM 361 CD1 ILE A 23 11.448 -3.029 0.407 1.00 0.06 C ATOM 0 H ILE A 23 14.550 -5.085 -1.340 1.00 0.16 H new ATOM 0 HA ILE A 23 12.794 -4.895 -3.699 1.00 0.16 H new ATOM 0 HB ILE A 23 11.494 -3.166 -2.345 1.00 0.17 H new ATOM 0 HG12 ILE A 23 12.995 -4.431 -0.026 1.00 0.05 H new ATOM 0 HG13 ILE A 23 13.289 -2.819 -0.647 1.00 0.05 H new ATOM 0 HG21 ILE A 23 10.173 -4.844 -1.130 1.00 0.31 H new ATOM 0 HG22 ILE A 23 10.619 -5.412 -2.757 1.00 0.31 H new ATOM 0 HG23 ILE A 23 11.489 -6.025 -1.330 1.00 0.31 H new ATOM 0 HD11 ILE A 23 11.896 -2.744 1.359 1.00 0.06 H new ATOM 0 HD12 ILE A 23 10.987 -2.155 -0.053 1.00 0.06 H new ATOM 0 HD13 ILE A 23 10.688 -3.792 0.577 1.00 0.06 H new ATOM 373 N VAL A 24 13.434 -2.354 -4.015 1.00 0.16 N ATOM 374 CA VAL A 24 14.109 -1.134 -4.440 1.00 0.15 C ATOM 375 C VAL A 24 13.897 -0.020 -3.416 1.00 0.15 C ATOM 376 O VAL A 24 12.766 0.400 -3.175 1.00 0.15 O ATOM 377 CB VAL A 24 13.597 -0.655 -5.817 1.00 0.17 C ATOM 378 CG1 VAL A 24 14.342 0.595 -6.263 1.00 0.17 C ATOM 379 CG2 VAL A 24 13.735 -1.758 -6.853 1.00 0.18 C ATOM 0 H VAL A 24 12.512 -2.491 -4.428 1.00 0.16 H new ATOM 0 HA VAL A 24 15.171 -1.364 -4.520 1.00 0.15 H new ATOM 0 HB VAL A 24 12.540 -0.406 -5.720 1.00 0.17 H new ATOM 0 HG11 VAL A 24 13.966 0.915 -7.235 1.00 0.17 H new ATOM 0 HG12 VAL A 24 14.187 1.390 -5.534 1.00 0.17 H new ATOM 0 HG13 VAL A 24 15.407 0.376 -6.340 1.00 0.17 H new ATOM 0 HG21 VAL A 24 13.369 -1.401 -7.816 1.00 0.18 H new ATOM 0 HG22 VAL A 24 14.784 -2.041 -6.946 1.00 0.18 H new ATOM 0 HG23 VAL A 24 13.151 -2.624 -6.542 1.00 0.18 H new ATOM 389 N GLY A 25 14.985 0.460 -2.825 1.00 0.14 N ATOM 390 CA GLY A 25 14.891 1.509 -1.828 1.00 0.13 C ATOM 391 C GLY A 25 14.954 2.892 -2.439 1.00 0.11 C ATOM 392 O GLY A 25 15.776 3.718 -2.042 1.00 0.08 O ATOM 0 H GLY A 25 15.934 0.140 -3.020 1.00 0.14 H new ATOM 0 HA2 GLY A 25 13.957 1.400 -1.277 1.00 0.13 H new ATOM 0 HA3 GLY A 25 15.701 1.396 -1.108 1.00 0.13 H new ATOM 396 N ALA A 26 14.076 3.152 -3.395 1.00 0.15 N ATOM 397 CA ALA A 26 14.033 4.444 -4.067 1.00 0.17 C ATOM 398 C ALA A 26 13.213 5.453 -3.270 1.00 0.12 C ATOM 399 O ALA A 26 12.233 6.009 -3.771 1.00 0.19 O ATOM 400 CB ALA A 26 13.469 4.292 -5.472 1.00 0.27 C ATOM 0 H ALA A 26 13.380 2.483 -3.725 1.00 0.15 H new ATOM 0 HA ALA A 26 15.053 4.821 -4.137 1.00 0.17 H new ATOM 0 HB1 ALA A 26 13.443 5.266 -5.961 1.00 0.27 H new ATOM 0 HB2 ALA A 26 14.101 3.614 -6.046 1.00 0.27 H new ATOM 0 HB3 ALA A 26 12.459 3.887 -5.417 1.00 0.27 H new ATOM 406 N GLU A 27 13.622 5.689 -2.033 1.00 0.11 N ATOM 407 CA GLU A 27 12.922 6.630 -1.168 1.00 0.05 C ATOM 408 C GLU A 27 13.905 7.285 -0.195 1.00 0.10 C ATOM 409 O GLU A 27 14.178 8.484 -0.291 1.00 0.20 O ATOM 410 CB GLU A 27 11.789 5.909 -0.412 1.00 0.11 C ATOM 411 CG GLU A 27 10.541 6.754 -0.184 1.00 0.78 C ATOM 412 CD GLU A 27 10.486 7.343 1.207 1.00 1.22 C ATOM 413 OE1 GLU A 27 11.238 8.297 1.481 1.00 1.46 O ATOM 414 OE2 GLU A 27 9.691 6.851 2.033 1.00 1.58 O1- ATOM 0 H GLU A 27 14.434 5.243 -1.605 1.00 0.11 H new ATOM 0 HA GLU A 27 12.478 7.416 -1.779 1.00 0.05 H new ATOM 0 HB2 GLU A 27 11.510 5.015 -0.969 1.00 0.11 H new ATOM 0 HB3 GLU A 27 12.169 5.577 0.554 1.00 0.11 H new ATOM 0 HG2 GLU A 27 10.513 7.560 -0.917 1.00 0.78 H new ATOM 0 HG3 GLU A 27 9.656 6.141 -0.350 1.00 0.78 H new ATOM 421 N SER A 28 14.471 6.485 0.704 1.00 0.11 N ATOM 422 CA SER A 28 15.415 6.975 1.698 1.00 0.17 C ATOM 423 C SER A 28 16.009 5.791 2.448 1.00 0.18 C ATOM 424 O SER A 28 15.288 4.854 2.795 1.00 0.15 O ATOM 425 CB SER A 28 14.716 7.929 2.678 1.00 0.18 C ATOM 426 OG SER A 28 15.656 8.608 3.492 1.00 0.26 O ATOM 0 H SER A 28 14.288 5.483 0.762 1.00 0.11 H new ATOM 0 HA SER A 28 16.212 7.526 1.198 1.00 0.17 H new ATOM 0 HB2 SER A 28 14.122 8.654 2.122 1.00 0.18 H new ATOM 0 HB3 SER A 28 14.026 7.367 3.307 1.00 0.18 H new ATOM 0 HG SER A 28 15.184 9.210 4.105 1.00 0.26 H new ATOM 432 N PRO A 29 17.326 5.810 2.708 1.00 0.23 N ATOM 433 CA PRO A 29 18.017 4.719 3.413 1.00 0.26 C ATOM 434 C PRO A 29 17.459 4.455 4.811 1.00 0.28 C ATOM 435 O PRO A 29 17.648 3.375 5.366 1.00 0.34 O ATOM 436 CB PRO A 29 19.471 5.202 3.501 1.00 0.31 C ATOM 437 CG PRO A 29 19.411 6.672 3.265 1.00 0.31 C ATOM 438 CD PRO A 29 18.251 6.894 2.338 1.00 0.25 C ATOM 0 HA PRO A 29 17.896 3.773 2.885 1.00 0.26 H new ATOM 0 HB2 PRO A 29 19.902 4.977 4.477 1.00 0.31 H new ATOM 0 HB3 PRO A 29 20.095 4.709 2.756 1.00 0.31 H new ATOM 0 HG2 PRO A 29 19.271 7.212 4.201 1.00 0.31 H new ATOM 0 HG3 PRO A 29 20.339 7.035 2.823 1.00 0.31 H new ATOM 0 HD2 PRO A 29 17.801 7.876 2.481 1.00 0.25 H new ATOM 0 HD3 PRO A 29 18.551 6.830 1.292 1.00 0.25 H new ATOM 446 N ALA A 30 16.770 5.438 5.374 1.00 0.27 N ATOM 447 CA ALA A 30 16.190 5.294 6.702 1.00 0.30 C ATOM 448 C ALA A 30 14.743 4.815 6.629 1.00 0.18 C ATOM 449 O ALA A 30 14.353 3.877 7.326 1.00 0.15 O ATOM 450 CB ALA A 30 16.275 6.610 7.459 1.00 0.41 C ATOM 0 H ALA A 30 16.599 6.342 4.933 1.00 0.27 H new ATOM 0 HA ALA A 30 16.764 4.538 7.239 1.00 0.30 H new ATOM 0 HB1 ALA A 30 15.838 6.489 8.450 1.00 0.41 H new ATOM 0 HB2 ALA A 30 17.319 6.907 7.557 1.00 0.41 H new ATOM 0 HB3 ALA A 30 15.729 7.379 6.913 1.00 0.41 H new ATOM 456 N HIS A 31 13.961 5.443 5.755 1.00 0.13 N ATOM 457 CA HIS A 31 12.544 5.104 5.595 1.00 0.10 C ATOM 458 C HIS A 31 12.342 3.633 5.252 1.00 0.09 C ATOM 459 O HIS A 31 11.417 2.994 5.753 1.00 0.19 O ATOM 460 CB HIS A 31 11.907 5.961 4.501 1.00 0.21 C ATOM 461 CG HIS A 31 11.308 7.247 4.992 1.00 0.05 C ATOM 462 ND1 HIS A 31 10.313 7.906 4.313 1.00 0.28 N ATOM 463 CD2 HIS A 31 11.564 7.994 6.093 1.00 0.12 C ATOM 464 CE1 HIS A 31 9.976 8.997 4.970 1.00 0.41 C ATOM 465 NE2 HIS A 31 10.719 9.076 6.056 1.00 0.32 N ATOM 0 H HIS A 31 14.283 6.193 5.143 1.00 0.13 H new ATOM 0 HA HIS A 31 12.063 5.304 6.553 1.00 0.10 H new ATOM 0 HB2 HIS A 31 12.662 6.190 3.749 1.00 0.21 H new ATOM 0 HB3 HIS A 31 11.130 5.378 4.006 1.00 0.21 H new ATOM 0 HD1 HIS A 31 9.898 7.598 3.434 1.00 0.28 H new ATOM 0 HD2 HIS A 31 12.296 7.779 6.857 1.00 0.12 H new ATOM 0 HE1 HIS A 31 9.219 9.707 4.670 1.00 0.41 H new ATOM 474 N ILE A 32 13.220 3.098 4.408 1.00 0.08 N ATOM 475 CA ILE A 32 13.136 1.701 3.970 1.00 0.20 C ATOM 476 C ILE A 32 13.152 0.703 5.135 1.00 0.27 C ATOM 477 O ILE A 32 12.742 -0.446 4.975 1.00 0.36 O ATOM 478 CB ILE A 32 14.268 1.337 2.983 1.00 0.23 C ATOM 479 CG1 ILE A 32 15.650 1.521 3.639 1.00 0.25 C ATOM 480 CG2 ILE A 32 14.144 2.174 1.716 1.00 0.18 C ATOM 481 CD1 ILE A 32 16.817 1.139 2.751 1.00 0.30 C ATOM 0 H ILE A 32 14.005 3.613 4.009 1.00 0.08 H new ATOM 0 HA ILE A 32 12.173 1.621 3.465 1.00 0.20 H new ATOM 0 HB ILE A 32 14.171 0.286 2.712 1.00 0.23 H new ATOM 0 HG12 ILE A 32 15.762 2.563 3.938 1.00 0.25 H new ATOM 0 HG13 ILE A 32 15.690 0.923 4.549 1.00 0.25 H new ATOM 0 HG21 ILE A 32 14.946 1.911 1.026 1.00 0.18 H new ATOM 0 HG22 ILE A 32 13.181 1.979 1.244 1.00 0.18 H new ATOM 0 HG23 ILE A 32 14.216 3.232 1.970 1.00 0.18 H new ATOM 0 HD11 ILE A 32 17.751 1.299 3.289 1.00 0.30 H new ATOM 0 HD12 ILE A 32 16.734 0.088 2.473 1.00 0.30 H new ATOM 0 HD13 ILE A 32 16.807 1.755 1.852 1.00 0.30 H new ATOM 493 N ARG A 33 13.602 1.137 6.305 1.00 0.25 N ATOM 494 CA ARG A 33 13.663 0.254 7.464 1.00 0.32 C ATOM 495 C ARG A 33 12.317 0.163 8.179 1.00 0.34 C ATOM 496 O ARG A 33 12.051 -0.813 8.882 1.00 0.57 O ATOM 497 CB ARG A 33 14.743 0.717 8.441 1.00 0.34 C ATOM 498 CG ARG A 33 16.145 0.281 8.042 1.00 0.38 C ATOM 499 CD ARG A 33 17.031 1.475 7.731 1.00 0.37 C ATOM 500 NE ARG A 33 17.210 2.336 8.893 1.00 0.36 N ATOM 501 CZ ARG A 33 18.089 3.335 8.963 1.00 0.68 C ATOM 502 NH1 ARG A 33 18.886 3.606 7.934 1.00 1.01 N1+ ATOM 503 NH2 ARG A 33 18.160 4.070 10.064 1.00 0.84 N ATOM 0 H ARG A 33 13.928 2.088 6.477 1.00 0.25 H new ATOM 0 HA ARG A 33 13.917 -0.741 7.097 1.00 0.32 H new ATOM 0 HB2 ARG A 33 14.715 1.804 8.513 1.00 0.34 H new ATOM 0 HB3 ARG A 33 14.517 0.326 9.433 1.00 0.34 H new ATOM 0 HG2 ARG A 33 16.589 -0.303 8.848 1.00 0.38 H new ATOM 0 HG3 ARG A 33 16.090 -0.370 7.170 1.00 0.38 H new ATOM 0 HD2 ARG A 33 18.004 1.125 7.385 1.00 0.37 H new ATOM 0 HD3 ARG A 33 16.591 2.051 6.917 1.00 0.37 H new ATOM 0 HE ARG A 33 16.622 2.162 9.708 1.00 0.36 H new ATOM 0 HH11 ARG A 33 18.827 3.047 7.083 1.00 1.01 H new ATOM 0 HH12 ARG A 33 19.556 4.373 7.996 1.00 1.01 H new ATOM 0 HH21 ARG A 33 17.544 3.869 10.852 1.00 0.84 H new ATOM 0 HH22 ARG A 33 18.831 4.836 10.123 1.00 0.84 H new ATOM 517 N LEU A 34 11.463 1.165 7.999 1.00 0.14 N ATOM 518 CA LEU A 34 10.157 1.161 8.653 1.00 0.15 C ATOM 519 C LEU A 34 9.070 0.648 7.714 1.00 0.16 C ATOM 520 O LEU A 34 7.981 0.283 8.157 1.00 0.17 O ATOM 521 CB LEU A 34 9.805 2.561 9.182 1.00 0.13 C ATOM 522 CG LEU A 34 9.490 3.624 8.123 1.00 0.07 C ATOM 523 CD1 LEU A 34 7.988 3.749 7.913 1.00 0.12 C ATOM 524 CD2 LEU A 34 10.079 4.964 8.532 1.00 0.04 C ATOM 0 H LEU A 34 11.646 1.980 7.414 1.00 0.14 H new ATOM 0 HA LEU A 34 10.213 0.480 9.502 1.00 0.15 H new ATOM 0 HB2 LEU A 34 8.944 2.471 9.844 1.00 0.13 H new ATOM 0 HB3 LEU A 34 10.637 2.918 9.789 1.00 0.13 H new ATOM 0 HG LEU A 34 9.942 3.314 7.181 1.00 0.07 H new ATOM 0 HD11 LEU A 34 7.788 4.509 7.158 1.00 0.12 H new ATOM 0 HD12 LEU A 34 7.586 2.792 7.580 1.00 0.12 H new ATOM 0 HD13 LEU A 34 7.512 4.036 8.851 1.00 0.12 H new ATOM 0 HD21 LEU A 34 9.848 5.710 7.772 1.00 0.04 H new ATOM 0 HD22 LEU A 34 9.651 5.274 9.486 1.00 0.04 H new ATOM 0 HD23 LEU A 34 11.160 4.871 8.632 1.00 0.04 H new ATOM 536 N VAL A 35 9.371 0.613 6.419 1.00 0.16 N ATOM 537 CA VAL A 35 8.411 0.146 5.420 1.00 0.16 C ATOM 538 C VAL A 35 7.988 -1.293 5.706 1.00 0.13 C ATOM 539 O VAL A 35 6.800 -1.612 5.729 1.00 0.12 O ATOM 540 CB VAL A 35 8.987 0.231 3.987 1.00 0.20 C ATOM 541 CG1 VAL A 35 7.933 -0.154 2.963 1.00 0.18 C ATOM 542 CG2 VAL A 35 9.518 1.625 3.697 1.00 0.25 C ATOM 0 H VAL A 35 10.271 0.902 6.036 1.00 0.16 H new ATOM 0 HA VAL A 35 7.543 0.802 5.485 1.00 0.16 H new ATOM 0 HB VAL A 35 9.816 -0.473 3.916 1.00 0.20 H new ATOM 0 HG11 VAL A 35 8.358 -0.088 1.961 1.00 0.18 H new ATOM 0 HG12 VAL A 35 7.600 -1.175 3.149 1.00 0.18 H new ATOM 0 HG13 VAL A 35 7.084 0.524 3.042 1.00 0.18 H new ATOM 0 HG21 VAL A 35 9.917 1.659 2.683 1.00 0.25 H new ATOM 0 HG22 VAL A 35 8.709 2.350 3.793 1.00 0.25 H new ATOM 0 HG23 VAL A 35 10.309 1.868 4.407 1.00 0.25 H new ATOM 552 N ALA A 36 8.972 -2.150 5.948 1.00 0.14 N ATOM 553 CA ALA A 36 8.714 -3.554 6.236 1.00 0.15 C ATOM 554 C ALA A 36 7.982 -3.718 7.562 1.00 0.12 C ATOM 555 O ALA A 36 7.120 -4.585 7.703 1.00 0.11 O ATOM 556 CB ALA A 36 10.018 -4.330 6.252 1.00 0.18 C ATOM 0 H ALA A 36 9.960 -1.895 5.950 1.00 0.14 H new ATOM 0 HA ALA A 36 8.073 -3.952 5.449 1.00 0.15 H new ATOM 0 HB1 ALA A 36 9.815 -5.379 6.468 1.00 0.18 H new ATOM 0 HB2 ALA A 36 10.503 -4.247 5.279 1.00 0.18 H new ATOM 0 HB3 ALA A 36 10.675 -3.922 7.020 1.00 0.18 H new ATOM 562 N ALA A 37 8.321 -2.870 8.529 1.00 0.13 N ATOM 563 CA ALA A 37 7.696 -2.920 9.845 1.00 0.11 C ATOM 564 C ALA A 37 6.212 -2.585 9.751 1.00 0.14 C ATOM 565 O ALA A 37 5.399 -3.087 10.525 1.00 0.20 O ATOM 566 CB ALA A 37 8.404 -1.965 10.800 1.00 0.13 C ATOM 0 H ALA A 37 9.026 -2.140 8.425 1.00 0.13 H new ATOM 0 HA ALA A 37 7.789 -3.934 10.234 1.00 0.11 H new ATOM 0 HB1 ALA A 37 7.928 -2.011 11.780 1.00 0.13 H new ATOM 0 HB2 ALA A 37 9.452 -2.252 10.891 1.00 0.13 H new ATOM 0 HB3 ALA A 37 8.339 -0.948 10.413 1.00 0.13 H new ATOM 572 N PHE A 38 5.869 -1.733 8.795 1.00 0.15 N ATOM 573 CA PHE A 38 4.485 -1.333 8.585 1.00 0.21 C ATOM 574 C PHE A 38 3.669 -2.510 8.057 1.00 0.21 C ATOM 575 O PHE A 38 2.547 -2.751 8.499 1.00 0.28 O ATOM 576 CB PHE A 38 4.421 -0.150 7.614 1.00 0.26 C ATOM 577 CG PHE A 38 3.027 0.331 7.319 1.00 0.34 C ATOM 578 CD1 PHE A 38 2.136 0.614 8.346 1.00 0.41 C ATOM 579 CD2 PHE A 38 2.610 0.504 6.011 1.00 0.35 C ATOM 580 CE1 PHE A 38 0.859 1.059 8.069 1.00 0.50 C ATOM 581 CE2 PHE A 38 1.334 0.949 5.731 1.00 0.43 C ATOM 582 CZ PHE A 38 0.457 1.228 6.761 1.00 0.50 C ATOM 0 H PHE A 38 6.533 -1.304 8.150 1.00 0.15 H new ATOM 0 HA PHE A 38 4.058 -1.021 9.538 1.00 0.21 H new ATOM 0 HB2 PHE A 38 4.999 0.677 8.028 1.00 0.26 H new ATOM 0 HB3 PHE A 38 4.900 -0.437 6.678 1.00 0.26 H new ATOM 0 HD1 PHE A 38 2.446 0.485 9.373 1.00 0.41 H new ATOM 0 HD2 PHE A 38 3.290 0.288 5.200 1.00 0.35 H new ATOM 0 HE1 PHE A 38 0.175 1.275 8.877 1.00 0.50 H new ATOM 0 HE2 PHE A 38 1.021 1.079 4.706 1.00 0.43 H new ATOM 0 HZ PHE A 38 -0.541 1.578 6.542 1.00 0.50 H new ATOM 592 N VAL A 39 4.254 -3.255 7.125 1.00 0.16 N ATOM 593 CA VAL A 39 3.583 -4.409 6.540 1.00 0.17 C ATOM 594 C VAL A 39 3.429 -5.519 7.574 1.00 0.16 C ATOM 595 O VAL A 39 2.367 -6.139 7.679 1.00 0.18 O ATOM 596 CB VAL A 39 4.344 -4.957 5.312 1.00 0.15 C ATOM 597 CG1 VAL A 39 3.602 -6.135 4.697 1.00 0.17 C ATOM 598 CG2 VAL A 39 4.551 -3.864 4.278 1.00 0.15 C ATOM 0 H VAL A 39 5.190 -3.080 6.759 1.00 0.16 H new ATOM 0 HA VAL A 39 2.599 -4.073 6.211 1.00 0.17 H new ATOM 0 HB VAL A 39 5.321 -5.305 5.648 1.00 0.15 H new ATOM 0 HG11 VAL A 39 4.157 -6.504 3.834 1.00 0.17 H new ATOM 0 HG12 VAL A 39 3.508 -6.931 5.435 1.00 0.17 H new ATOM 0 HG13 VAL A 39 2.609 -5.815 4.380 1.00 0.17 H new ATOM 0 HG21 VAL A 39 5.089 -4.271 3.421 1.00 0.15 H new ATOM 0 HG22 VAL A 39 3.583 -3.484 3.952 1.00 0.15 H new ATOM 0 HG23 VAL A 39 5.130 -3.052 4.718 1.00 0.15 H new ATOM 608 N ASP A 40 4.489 -5.749 8.349 1.00 0.12 N ATOM 609 CA ASP A 40 4.477 -6.779 9.386 1.00 0.11 C ATOM 610 C ASP A 40 3.364 -6.500 10.389 1.00 0.12 C ATOM 611 O ASP A 40 2.621 -7.401 10.775 1.00 0.13 O ATOM 612 CB ASP A 40 5.831 -6.836 10.102 1.00 0.09 C ATOM 613 CG ASP A 40 6.052 -8.148 10.833 1.00 0.09 C ATOM 614 OD1 ASP A 40 5.573 -8.287 11.980 1.00 1.14 O1- ATOM 615 OD2 ASP A 40 6.718 -9.043 10.271 1.00 1.03 O ATOM 0 H ASP A 40 5.367 -5.235 8.278 1.00 0.12 H new ATOM 0 HA ASP A 40 4.294 -7.744 8.914 1.00 0.11 H new ATOM 0 HB2 ASP A 40 6.629 -6.692 9.374 1.00 0.09 H new ATOM 0 HB3 ASP A 40 5.896 -6.013 10.814 1.00 0.09 H new ATOM 620 N ASP A 41 3.247 -5.232 10.781 1.00 0.12 N ATOM 621 CA ASP A 41 2.213 -4.794 11.722 1.00 0.13 C ATOM 622 C ASP A 41 0.826 -5.111 11.175 1.00 0.09 C ATOM 623 O ASP A 41 -0.018 -5.684 11.870 1.00 0.07 O ATOM 624 CB ASP A 41 2.330 -3.281 11.996 1.00 0.16 C ATOM 625 CG ASP A 41 0.981 -2.600 12.202 1.00 0.13 C ATOM 626 OD1 ASP A 41 0.504 -2.540 13.353 1.00 0.12 O1- ATOM 627 OD2 ASP A 41 0.398 -2.105 11.206 1.00 0.22 O ATOM 0 H ASP A 41 3.860 -4.483 10.459 1.00 0.12 H new ATOM 0 HA ASP A 41 2.359 -5.333 12.658 1.00 0.13 H new ATOM 0 HB2 ASP A 41 2.947 -3.126 12.881 1.00 0.16 H new ATOM 0 HB3 ASP A 41 2.845 -2.806 11.161 1.00 0.16 H new ATOM 632 N LYS A 42 0.611 -4.750 9.915 1.00 0.10 N ATOM 633 CA LYS A 42 -0.664 -4.978 9.259 1.00 0.11 C ATOM 634 C LYS A 42 -0.986 -6.464 9.187 1.00 0.03 C ATOM 635 O LYS A 42 -2.076 -6.881 9.566 1.00 0.07 O ATOM 636 CB LYS A 42 -0.659 -4.366 7.854 1.00 0.19 C ATOM 637 CG LYS A 42 -0.516 -2.846 7.847 1.00 0.26 C ATOM 638 CD LYS A 42 -1.862 -2.138 7.750 1.00 0.28 C ATOM 639 CE LYS A 42 -2.743 -2.407 8.962 1.00 0.31 C ATOM 640 NZ LYS A 42 -2.122 -1.934 10.231 1.00 0.38 N1+ ATOM 0 H LYS A 42 1.310 -4.296 9.327 1.00 0.10 H new ATOM 0 HA LYS A 42 -1.439 -4.492 9.852 1.00 0.11 H new ATOM 0 HB2 LYS A 42 0.159 -4.802 7.281 1.00 0.19 H new ATOM 0 HB3 LYS A 42 -1.584 -4.637 7.346 1.00 0.19 H new ATOM 0 HG2 LYS A 42 -0.005 -2.527 8.756 1.00 0.26 H new ATOM 0 HG3 LYS A 42 0.111 -2.546 7.007 1.00 0.26 H new ATOM 0 HD2 LYS A 42 -1.700 -1.065 7.652 1.00 0.28 H new ATOM 0 HD3 LYS A 42 -2.379 -2.466 6.848 1.00 0.28 H new ATOM 0 HE2 LYS A 42 -3.705 -1.913 8.825 1.00 0.31 H new ATOM 0 HE3 LYS A 42 -2.941 -3.476 9.034 1.00 0.31 H new ATOM 0 HZ1 LYS A 42 -2.744 -2.170 11.031 1.00 0.38 H new ATOM 0 HZ2 LYS A 42 -1.200 -2.398 10.360 1.00 0.38 H new ATOM 0 HZ3 LYS A 42 -1.988 -0.904 10.189 1.00 0.38 H new ATOM 654 N MET A 43 -0.029 -7.259 8.722 1.00 0.07 N ATOM 655 CA MET A 43 -0.228 -8.698 8.599 1.00 0.12 C ATOM 656 C MET A 43 -0.467 -9.341 9.958 1.00 0.16 C ATOM 657 O MET A 43 -1.313 -10.225 10.093 1.00 0.35 O ATOM 658 CB MET A 43 0.974 -9.353 7.922 1.00 0.18 C ATOM 659 CG MET A 43 1.110 -9.006 6.451 1.00 0.16 C ATOM 660 SD MET A 43 2.404 -9.961 5.632 1.00 0.26 S ATOM 661 CE MET A 43 1.710 -11.612 5.718 1.00 0.29 C ATOM 0 H MET A 43 0.890 -6.932 8.425 1.00 0.07 H new ATOM 0 HA MET A 43 -1.113 -8.855 7.983 1.00 0.12 H new ATOM 0 HB2 MET A 43 1.882 -9.051 8.443 1.00 0.18 H new ATOM 0 HB3 MET A 43 0.893 -10.435 8.025 1.00 0.18 H new ATOM 0 HG2 MET A 43 0.159 -9.184 5.950 1.00 0.16 H new ATOM 0 HG3 MET A 43 1.329 -7.943 6.351 1.00 0.16 H new ATOM 0 HE1 MET A 43 1.794 -12.093 4.743 1.00 0.29 H new ATOM 0 HE2 MET A 43 2.254 -12.197 6.459 1.00 0.29 H new ATOM 0 HE3 MET A 43 0.660 -11.551 6.004 1.00 0.29 H new ATOM 671 N HIS A 44 0.266 -8.880 10.960 1.00 0.02 N ATOM 672 CA HIS A 44 0.158 -9.411 12.315 1.00 0.04 C ATOM 673 C HIS A 44 -1.272 -9.312 12.844 1.00 0.05 C ATOM 674 O HIS A 44 -1.849 -10.307 13.285 1.00 0.20 O ATOM 675 CB HIS A 44 1.105 -8.660 13.254 1.00 0.08 C ATOM 676 CG HIS A 44 1.443 -9.416 14.500 1.00 0.11 C ATOM 677 ND1 HIS A 44 2.598 -10.149 14.642 1.00 0.27 N ATOM 678 CD2 HIS A 44 0.775 -9.544 15.672 1.00 0.29 C ATOM 679 CE1 HIS A 44 2.629 -10.693 15.843 1.00 0.38 C ATOM 680 NE2 HIS A 44 1.534 -10.341 16.489 1.00 0.40 N ATOM 0 H HIS A 44 0.950 -8.130 10.860 1.00 0.02 H new ATOM 0 HA HIS A 44 0.437 -10.464 12.279 1.00 0.04 H new ATOM 0 HB2 HIS A 44 2.026 -8.430 12.718 1.00 0.08 H new ATOM 0 HB3 HIS A 44 0.650 -7.709 13.529 1.00 0.08 H new ATOM 0 HD2 HIS A 44 -0.179 -9.100 15.917 1.00 0.29 H new ATOM 0 HE1 HIS A 44 3.417 -11.320 16.232 1.00 0.38 H new ATOM 0 HE2 HIS A 44 1.292 -10.617 17.441 1.00 0.40 H new ATOM 689 N GLU A 45 -1.846 -8.119 12.776 1.00 0.16 N ATOM 690 CA GLU A 45 -3.194 -7.894 13.281 1.00 0.15 C ATOM 691 C GLU A 45 -4.272 -8.300 12.276 1.00 0.15 C ATOM 692 O GLU A 45 -5.463 -8.253 12.584 1.00 0.17 O ATOM 693 CB GLU A 45 -3.368 -6.428 13.683 1.00 0.12 C ATOM 694 CG GLU A 45 -3.283 -5.446 12.522 1.00 0.09 C ATOM 695 CD GLU A 45 -3.746 -4.058 12.912 1.00 0.12 C ATOM 696 OE1 GLU A 45 -4.481 -3.934 13.911 1.00 0.21 O1- ATOM 697 OE2 GLU A 45 -3.379 -3.085 12.224 1.00 0.16 O ATOM 0 H GLU A 45 -1.400 -7.293 12.377 1.00 0.16 H new ATOM 0 HA GLU A 45 -3.320 -8.530 14.157 1.00 0.15 H new ATOM 0 HB2 GLU A 45 -4.334 -6.310 14.173 1.00 0.12 H new ATOM 0 HB3 GLU A 45 -2.604 -6.172 14.417 1.00 0.12 H new ATOM 0 HG2 GLU A 45 -2.255 -5.397 12.164 1.00 0.09 H new ATOM 0 HG3 GLU A 45 -3.891 -5.811 11.694 1.00 0.09 H new ATOM 704 N PHE A 46 -3.867 -8.688 11.075 1.00 0.15 N ATOM 705 CA PHE A 46 -4.825 -9.103 10.060 1.00 0.14 C ATOM 706 C PHE A 46 -4.953 -10.623 10.012 1.00 0.16 C ATOM 707 O PHE A 46 -5.996 -11.152 9.629 1.00 0.17 O ATOM 708 CB PHE A 46 -4.438 -8.559 8.685 1.00 0.14 C ATOM 709 CG PHE A 46 -5.167 -7.297 8.310 1.00 0.15 C ATOM 710 CD1 PHE A 46 -5.536 -6.376 9.282 1.00 0.13 C ATOM 711 CD2 PHE A 46 -5.490 -7.033 6.989 1.00 0.18 C ATOM 712 CE1 PHE A 46 -6.214 -5.223 8.943 1.00 0.14 C ATOM 713 CE2 PHE A 46 -6.167 -5.879 6.644 1.00 0.19 C ATOM 714 CZ PHE A 46 -6.530 -4.973 7.624 1.00 0.17 C ATOM 0 H PHE A 46 -2.891 -8.724 10.781 1.00 0.15 H new ATOM 0 HA PHE A 46 -5.794 -8.687 10.334 1.00 0.14 H new ATOM 0 HB2 PHE A 46 -3.365 -8.368 8.668 1.00 0.14 H new ATOM 0 HB3 PHE A 46 -4.638 -9.322 7.932 1.00 0.14 H new ATOM 0 HD1 PHE A 46 -5.289 -6.565 10.316 1.00 0.13 H new ATOM 0 HD2 PHE A 46 -5.209 -7.737 6.220 1.00 0.18 H new ATOM 0 HE1 PHE A 46 -6.497 -4.517 9.710 1.00 0.14 H new ATOM 0 HE2 PHE A 46 -6.412 -5.685 5.610 1.00 0.19 H new ATOM 0 HZ PHE A 46 -7.060 -4.071 7.357 1.00 0.17 H new ATOM 724 N SER A 47 -3.898 -11.321 10.422 1.00 0.21 N ATOM 725 CA SER A 47 -3.899 -12.783 10.422 1.00 0.23 C ATOM 726 C SER A 47 -4.938 -13.329 11.402 1.00 0.21 C ATOM 727 O SER A 47 -5.422 -14.454 11.251 1.00 0.32 O ATOM 728 CB SER A 47 -2.509 -13.318 10.785 1.00 0.25 C ATOM 729 OG SER A 47 -1.521 -12.853 9.876 1.00 0.76 O ATOM 0 H SER A 47 -3.032 -10.900 10.758 1.00 0.21 H new ATOM 0 HA SER A 47 -4.160 -13.119 9.418 1.00 0.23 H new ATOM 0 HB2 SER A 47 -2.250 -13.006 11.797 1.00 0.25 H new ATOM 0 HB3 SER A 47 -2.525 -14.408 10.782 1.00 0.25 H new ATOM 0 HG SER A 47 -1.291 -11.925 10.090 1.00 0.76 H new ATOM 735 N GLU A 48 -5.299 -12.516 12.388 1.00 0.09 N ATOM 736 CA GLU A 48 -6.267 -12.932 13.388 1.00 0.08 C ATOM 737 C GLU A 48 -7.697 -12.835 12.860 1.00 0.10 C ATOM 738 O GLU A 48 -8.620 -13.377 13.462 1.00 0.07 O ATOM 739 CB GLU A 48 -6.123 -12.098 14.662 1.00 0.11 C ATOM 740 CG GLU A 48 -6.500 -10.637 14.487 1.00 0.06 C ATOM 741 CD GLU A 48 -6.897 -9.995 15.792 1.00 0.28 C ATOM 742 OE1 GLU A 48 -8.092 -10.064 16.154 1.00 0.61 O ATOM 743 OE2 GLU A 48 -6.014 -9.439 16.477 1.00 0.49 O1- ATOM 0 H GLU A 48 -4.937 -11.571 12.514 1.00 0.09 H new ATOM 0 HA GLU A 48 -6.062 -13.977 13.623 1.00 0.08 H new ATOM 0 HB2 GLU A 48 -6.748 -12.533 15.442 1.00 0.11 H new ATOM 0 HB3 GLU A 48 -5.091 -12.158 15.009 1.00 0.11 H new ATOM 0 HG2 GLU A 48 -5.658 -10.094 14.058 1.00 0.06 H new ATOM 0 HG3 GLU A 48 -7.325 -10.558 13.779 1.00 0.06 H new ATOM 750 N LYS A 49 -7.881 -12.146 11.736 1.00 0.14 N ATOM 751 CA LYS A 49 -9.214 -11.994 11.150 1.00 0.18 C ATOM 752 C LYS A 49 -9.566 -13.226 10.325 1.00 0.27 C ATOM 753 O LYS A 49 -10.728 -13.429 9.968 1.00 0.38 O ATOM 754 CB LYS A 49 -9.303 -10.736 10.272 1.00 0.12 C ATOM 755 CG LYS A 49 -8.670 -9.488 10.880 1.00 0.20 C ATOM 756 CD LYS A 49 -9.199 -9.185 12.280 1.00 0.43 C ATOM 757 CE LYS A 49 -10.641 -8.697 12.256 1.00 0.64 C ATOM 758 NZ LYS A 49 -11.076 -8.197 13.589 1.00 0.88 N1+ ATOM 0 H LYS A 49 -7.133 -11.688 11.216 1.00 0.14 H new ATOM 0 HA LYS A 49 -9.927 -11.887 11.967 1.00 0.18 H new ATOM 0 HB2 LYS A 49 -8.822 -10.942 9.316 1.00 0.12 H new ATOM 0 HB3 LYS A 49 -10.352 -10.529 10.062 1.00 0.12 H new ATOM 0 HG2 LYS A 49 -7.589 -9.618 10.924 1.00 0.20 H new ATOM 0 HG3 LYS A 49 -8.862 -8.634 10.230 1.00 0.20 H new ATOM 0 HD2 LYS A 49 -9.131 -10.083 12.895 1.00 0.43 H new ATOM 0 HD3 LYS A 49 -8.569 -8.429 12.749 1.00 0.43 H new ATOM 0 HE2 LYS A 49 -10.744 -7.902 11.518 1.00 0.64 H new ATOM 0 HE3 LYS A 49 -11.295 -9.510 11.941 1.00 0.64 H new ATOM 0 HZ1 LYS A 49 -12.063 -7.873 13.533 1.00 0.88 H new ATOM 0 HZ2 LYS A 49 -11.002 -8.963 14.288 1.00 0.88 H new ATOM 0 HZ3 LYS A 49 -10.468 -7.405 13.878 1.00 0.88 H new ATOM 772 N GLN A 50 -8.536 -14.037 10.049 1.00 0.30 N ATOM 773 CA GLN A 50 -8.650 -15.286 9.275 1.00 0.41 C ATOM 774 C GLN A 50 -9.665 -15.189 8.125 1.00 0.29 C ATOM 775 O GLN A 50 -10.706 -15.844 8.144 1.00 0.47 O ATOM 776 CB GLN A 50 -8.976 -16.470 10.204 1.00 0.63 C ATOM 777 CG GLN A 50 -10.195 -16.267 11.095 1.00 0.78 C ATOM 778 CD GLN A 50 -10.182 -17.167 12.312 1.00 0.93 C ATOM 779 OE1 GLN A 50 -9.633 -18.267 12.278 1.00 0.94 O ATOM 780 NE2 GLN A 50 -10.788 -16.710 13.391 1.00 1.07 N ATOM 0 H GLN A 50 -7.584 -13.843 10.361 1.00 0.30 H new ATOM 0 HA GLN A 50 -7.679 -15.459 8.811 1.00 0.41 H new ATOM 0 HB2 GLN A 50 -9.134 -17.359 9.594 1.00 0.63 H new ATOM 0 HB3 GLN A 50 -8.110 -16.666 10.836 1.00 0.63 H new ATOM 0 HG2 GLN A 50 -10.236 -15.227 11.417 1.00 0.78 H new ATOM 0 HG3 GLN A 50 -11.099 -16.457 10.517 1.00 0.78 H new ATOM 0 HE21 GLN A 50 -11.231 -15.791 13.377 1.00 1.07 H new ATOM 0 HE22 GLN A 50 -10.813 -17.275 14.240 1.00 1.07 H new ATOM 789 N PRO A 51 -9.356 -14.379 7.095 1.00 0.11 N ATOM 790 CA PRO A 51 -10.244 -14.198 5.940 1.00 0.09 C ATOM 791 C PRO A 51 -10.537 -15.513 5.215 1.00 0.05 C ATOM 792 O PRO A 51 -11.683 -15.959 5.160 1.00 0.20 O ATOM 793 CB PRO A 51 -9.480 -13.233 5.021 1.00 0.32 C ATOM 794 CG PRO A 51 -8.073 -13.214 5.527 1.00 0.44 C ATOM 795 CD PRO A 51 -8.132 -13.572 6.985 1.00 0.34 C ATOM 0 HA PRO A 51 -11.219 -13.818 6.246 1.00 0.09 H new ATOM 0 HB2 PRO A 51 -9.518 -13.568 3.984 1.00 0.32 H new ATOM 0 HB3 PRO A 51 -9.919 -12.236 5.050 1.00 0.32 H new ATOM 0 HG2 PRO A 51 -7.455 -13.925 4.979 1.00 0.44 H new ATOM 0 HG3 PRO A 51 -7.625 -12.230 5.388 1.00 0.44 H new ATOM 0 HD2 PRO A 51 -7.252 -14.135 7.295 1.00 0.34 H new ATOM 0 HD3 PRO A 51 -8.180 -12.683 7.614 1.00 0.34 H new ATOM 803 N MET A 52 -9.496 -16.131 4.668 1.00 0.10 N ATOM 804 CA MET A 52 -9.644 -17.389 3.945 1.00 0.14 C ATOM 805 C MET A 52 -8.852 -18.496 4.630 1.00 0.14 C ATOM 806 O MET A 52 -8.735 -19.603 4.099 1.00 0.16 O ATOM 807 CB MET A 52 -9.154 -17.241 2.499 1.00 0.25 C ATOM 808 CG MET A 52 -9.659 -15.993 1.787 1.00 0.17 C ATOM 809 SD MET A 52 -11.456 -15.846 1.803 1.00 0.22 S ATOM 810 CE MET A 52 -11.926 -17.339 0.934 1.00 1.11 C ATOM 0 H MET A 52 -8.539 -15.781 4.712 1.00 0.10 H new ATOM 0 HA MET A 52 -10.702 -17.651 3.942 1.00 0.14 H new ATOM 0 HB2 MET A 52 -8.064 -17.229 2.497 1.00 0.25 H new ATOM 0 HB3 MET A 52 -9.464 -18.119 1.932 1.00 0.25 H new ATOM 0 HG2 MET A 52 -9.224 -15.112 2.259 1.00 0.17 H new ATOM 0 HG3 MET A 52 -9.311 -16.006 0.754 1.00 0.17 H new ATOM 0 HE1 MET A 52 -12.975 -17.276 0.644 1.00 1.11 H new ATOM 0 HE2 MET A 52 -11.309 -17.451 0.042 1.00 1.11 H new ATOM 0 HE3 MET A 52 -11.781 -18.200 1.586 1.00 1.11 H new ATOM 820 N LEU A 53 -8.316 -18.188 5.815 1.00 0.15 N ATOM 821 CA LEU A 53 -7.512 -19.138 6.583 1.00 0.17 C ATOM 822 C LEU A 53 -6.310 -19.613 5.766 1.00 0.20 C ATOM 823 O LEU A 53 -5.903 -20.770 5.852 1.00 0.41 O ATOM 824 CB LEU A 53 -8.361 -20.335 7.026 1.00 0.19 C ATOM 825 CG LEU A 53 -9.279 -20.082 8.223 1.00 0.36 C ATOM 826 CD1 LEU A 53 -10.394 -21.115 8.259 1.00 0.31 C ATOM 827 CD2 LEU A 53 -8.482 -20.116 9.518 1.00 0.51 C ATOM 0 H LEU A 53 -8.427 -17.279 6.265 1.00 0.15 H new ATOM 0 HA LEU A 53 -7.145 -18.627 7.473 1.00 0.17 H new ATOM 0 HB2 LEU A 53 -8.972 -20.657 6.183 1.00 0.19 H new ATOM 0 HB3 LEU A 53 -7.694 -21.162 7.270 1.00 0.19 H new ATOM 0 HG LEU A 53 -9.725 -19.093 8.117 1.00 0.36 H new ATOM 0 HD11 LEU A 53 -11.040 -20.923 9.116 1.00 0.31 H new ATOM 0 HD12 LEU A 53 -10.979 -21.051 7.342 1.00 0.31 H new ATOM 0 HD13 LEU A 53 -9.963 -22.113 8.345 1.00 0.31 H new ATOM 0 HD21 LEU A 53 -9.149 -19.934 10.361 1.00 0.51 H new ATOM 0 HD22 LEU A 53 -8.013 -21.093 9.631 1.00 0.51 H new ATOM 0 HD23 LEU A 53 -7.712 -19.345 9.492 1.00 0.51 H new ATOM 839 N ASP A 54 -5.735 -18.699 4.994 1.00 0.04 N ATOM 840 CA ASP A 54 -4.591 -19.016 4.149 1.00 0.08 C ATOM 841 C ASP A 54 -3.583 -17.874 4.176 1.00 0.06 C ATOM 842 O ASP A 54 -3.969 -16.704 4.175 1.00 0.07 O ATOM 843 CB ASP A 54 -5.053 -19.272 2.717 1.00 0.12 C ATOM 844 CG ASP A 54 -3.940 -19.790 1.835 1.00 0.14 C ATOM 845 OD1 ASP A 54 -3.156 -20.642 2.305 1.00 0.47 O1- ATOM 846 OD2 ASP A 54 -3.852 -19.360 0.670 1.00 0.21 O ATOM 0 H ASP A 54 -6.044 -17.729 4.936 1.00 0.04 H new ATOM 0 HA ASP A 54 -4.111 -19.916 4.533 1.00 0.08 H new ATOM 0 HB2 ASP A 54 -5.871 -19.992 2.726 1.00 0.12 H new ATOM 0 HB3 ASP A 54 -5.447 -18.348 2.295 1.00 0.12 H new ATOM 851 N VAL A 55 -2.301 -18.219 4.179 1.00 0.06 N ATOM 852 CA VAL A 55 -1.227 -17.229 4.236 1.00 0.07 C ATOM 853 C VAL A 55 -1.193 -16.307 3.002 1.00 0.06 C ATOM 854 O VAL A 55 -1.310 -15.091 3.150 1.00 0.06 O ATOM 855 CB VAL A 55 0.153 -17.898 4.434 1.00 0.09 C ATOM 856 CG1 VAL A 55 1.254 -16.853 4.538 1.00 0.08 C ATOM 857 CG2 VAL A 55 0.139 -18.787 5.670 1.00 0.13 C ATOM 0 H VAL A 55 -1.976 -19.185 4.142 1.00 0.06 H new ATOM 0 HA VAL A 55 -1.446 -16.606 5.103 1.00 0.07 H new ATOM 0 HB VAL A 55 0.359 -18.519 3.562 1.00 0.09 H new ATOM 0 HG11 VAL A 55 2.215 -17.349 4.677 1.00 0.08 H new ATOM 0 HG12 VAL A 55 1.281 -16.260 3.624 1.00 0.08 H new ATOM 0 HG13 VAL A 55 1.057 -16.200 5.388 1.00 0.08 H new ATOM 0 HG21 VAL A 55 1.117 -19.251 5.796 1.00 0.13 H new ATOM 0 HG22 VAL A 55 -0.093 -18.185 6.549 1.00 0.13 H new ATOM 0 HG23 VAL A 55 -0.618 -19.563 5.552 1.00 0.13 H new ATOM 867 N PRO A 56 -1.025 -16.843 1.769 1.00 0.05 N ATOM 868 CA PRO A 56 -0.979 -16.007 0.561 1.00 0.04 C ATOM 869 C PRO A 56 -2.242 -15.170 0.378 1.00 0.04 C ATOM 870 O PRO A 56 -2.185 -14.047 -0.125 1.00 0.04 O ATOM 871 CB PRO A 56 -0.826 -17.008 -0.593 1.00 0.05 C ATOM 872 CG PRO A 56 -1.151 -18.345 -0.020 1.00 0.06 C ATOM 873 CD PRO A 56 -0.842 -18.270 1.450 1.00 0.06 C ATOM 0 HA PRO A 56 -0.164 -15.285 0.614 1.00 0.04 H new ATOM 0 HB2 PRO A 56 -1.498 -16.762 -1.415 1.00 0.05 H new ATOM 0 HB3 PRO A 56 0.188 -16.991 -0.993 1.00 0.05 H new ATOM 0 HG2 PRO A 56 -2.200 -18.592 -0.183 1.00 0.06 H new ATOM 0 HG3 PRO A 56 -0.562 -19.126 -0.500 1.00 0.06 H new ATOM 0 HD2 PRO A 56 -1.513 -18.901 2.034 1.00 0.06 H new ATOM 0 HD3 PRO A 56 0.174 -18.602 1.664 1.00 0.06 H new ATOM 881 N LYS A 57 -3.378 -15.706 0.806 1.00 0.05 N ATOM 882 CA LYS A 57 -4.645 -14.992 0.683 1.00 0.05 C ATOM 883 C LYS A 57 -4.721 -13.858 1.707 1.00 0.06 C ATOM 884 O LYS A 57 -5.428 -12.870 1.506 1.00 0.08 O ATOM 885 CB LYS A 57 -5.833 -15.941 0.871 1.00 0.06 C ATOM 886 CG LYS A 57 -5.791 -17.186 -0.010 1.00 0.09 C ATOM 887 CD LYS A 57 -5.385 -16.882 -1.445 1.00 0.11 C ATOM 888 CE LYS A 57 -5.553 -18.103 -2.337 1.00 0.12 C ATOM 889 NZ LYS A 57 -4.820 -19.290 -1.816 1.00 0.10 N1+ ATOM 0 H LYS A 57 -3.450 -16.627 1.239 1.00 0.05 H new ATOM 0 HA LYS A 57 -4.694 -14.571 -0.321 1.00 0.05 H new ATOM 0 HB2 LYS A 57 -5.873 -16.251 1.915 1.00 0.06 H new ATOM 0 HB3 LYS A 57 -6.754 -15.396 0.665 1.00 0.06 H new ATOM 0 HG2 LYS A 57 -5.090 -17.903 0.417 1.00 0.09 H new ATOM 0 HG3 LYS A 57 -6.773 -17.660 -0.008 1.00 0.09 H new ATOM 0 HD2 LYS A 57 -5.990 -16.061 -1.830 1.00 0.11 H new ATOM 0 HD3 LYS A 57 -4.347 -16.551 -1.469 1.00 0.11 H new ATOM 0 HE2 LYS A 57 -6.613 -18.343 -2.424 1.00 0.12 H new ATOM 0 HE3 LYS A 57 -5.195 -17.869 -3.340 1.00 0.12 H new ATOM 0 HZ1 LYS A 57 -4.271 -19.724 -2.585 1.00 0.10 H new ATOM 0 HZ2 LYS A 57 -4.176 -18.994 -1.055 1.00 0.10 H new ATOM 0 HZ3 LYS A 57 -5.501 -19.982 -1.443 1.00 0.10 H new ATOM 903 N LEU A 58 -3.990 -14.011 2.800 1.00 0.05 N ATOM 904 CA LEU A 58 -3.957 -13.004 3.857 1.00 0.06 C ATOM 905 C LEU A 58 -3.025 -11.862 3.455 1.00 0.06 C ATOM 906 O LEU A 58 -3.302 -10.691 3.721 1.00 0.08 O ATOM 907 CB LEU A 58 -3.489 -13.663 5.175 1.00 0.06 C ATOM 908 CG LEU A 58 -3.526 -12.813 6.462 1.00 0.11 C ATOM 909 CD1 LEU A 58 -2.303 -11.915 6.574 1.00 0.07 C ATOM 910 CD2 LEU A 58 -4.803 -11.989 6.557 1.00 0.17 C ATOM 0 H LEU A 58 -3.407 -14.828 2.982 1.00 0.05 H new ATOM 0 HA LEU A 58 -4.954 -12.591 4.008 1.00 0.06 H new ATOM 0 HB2 LEU A 58 -4.102 -14.549 5.342 1.00 0.06 H new ATOM 0 HB3 LEU A 58 -2.465 -14.007 5.031 1.00 0.06 H new ATOM 0 HG LEU A 58 -3.513 -13.510 7.300 1.00 0.11 H new ATOM 0 HD11 LEU A 58 -2.363 -11.331 7.492 1.00 0.07 H new ATOM 0 HD12 LEU A 58 -1.402 -12.528 6.592 1.00 0.07 H new ATOM 0 HD13 LEU A 58 -2.266 -11.242 5.718 1.00 0.07 H new ATOM 0 HD21 LEU A 58 -4.791 -11.404 7.477 1.00 0.17 H new ATOM 0 HD22 LEU A 58 -4.867 -11.317 5.701 1.00 0.17 H new ATOM 0 HD23 LEU A 58 -5.666 -12.655 6.561 1.00 0.17 H new ATOM 922 N ALA A 59 -1.936 -12.222 2.784 1.00 0.05 N ATOM 923 CA ALA A 59 -0.933 -11.255 2.344 1.00 0.06 C ATOM 924 C ALA A 59 -1.482 -10.285 1.297 1.00 0.08 C ATOM 925 O ALA A 59 -1.100 -9.116 1.267 1.00 0.11 O ATOM 926 CB ALA A 59 0.288 -11.983 1.804 1.00 0.06 C ATOM 0 H ALA A 59 -1.723 -13.187 2.530 1.00 0.05 H new ATOM 0 HA ALA A 59 -0.648 -10.660 3.212 1.00 0.06 H new ATOM 0 HB1 ALA A 59 1.031 -11.255 1.478 1.00 0.06 H new ATOM 0 HB2 ALA A 59 0.714 -12.610 2.587 1.00 0.06 H new ATOM 0 HB3 ALA A 59 -0.004 -12.606 0.959 1.00 0.06 H new ATOM 932 N VAL A 60 -2.376 -10.760 0.437 1.00 0.05 N ATOM 933 CA VAL A 60 -2.951 -9.890 -0.591 1.00 0.07 C ATOM 934 C VAL A 60 -4.024 -8.986 0.012 1.00 0.07 C ATOM 935 O VAL A 60 -4.264 -7.879 -0.474 1.00 0.08 O ATOM 936 CB VAL A 60 -3.552 -10.674 -1.789 1.00 0.07 C ATOM 937 CG1 VAL A 60 -2.487 -11.505 -2.490 1.00 0.07 C ATOM 938 CG2 VAL A 60 -4.717 -11.548 -1.352 1.00 0.08 C ATOM 0 H VAL A 60 -2.715 -11.722 0.427 1.00 0.05 H new ATOM 0 HA VAL A 60 -2.126 -9.290 -0.976 1.00 0.07 H new ATOM 0 HB VAL A 60 -3.933 -9.942 -2.501 1.00 0.07 H new ATOM 0 HG11 VAL A 60 -2.936 -12.043 -3.325 1.00 0.07 H new ATOM 0 HG12 VAL A 60 -1.700 -10.849 -2.863 1.00 0.07 H new ATOM 0 HG13 VAL A 60 -2.060 -12.219 -1.785 1.00 0.07 H new ATOM 0 HG21 VAL A 60 -5.114 -12.083 -2.215 1.00 0.08 H new ATOM 0 HG22 VAL A 60 -4.374 -12.266 -0.607 1.00 0.08 H new ATOM 0 HG23 VAL A 60 -5.499 -10.923 -0.921 1.00 0.08 H new ATOM 948 N LEU A 61 -4.645 -9.454 1.090 1.00 0.07 N ATOM 949 CA LEU A 61 -5.693 -8.693 1.759 1.00 0.08 C ATOM 950 C LEU A 61 -5.101 -7.469 2.448 1.00 0.08 C ATOM 951 O LEU A 61 -5.729 -6.412 2.515 1.00 0.08 O ATOM 952 CB LEU A 61 -6.422 -9.564 2.783 1.00 0.10 C ATOM 953 CG LEU A 61 -7.741 -8.980 3.294 1.00 0.10 C ATOM 954 CD1 LEU A 61 -8.891 -9.404 2.395 1.00 0.11 C ATOM 955 CD2 LEU A 61 -8.003 -9.406 4.728 1.00 0.07 C ATOM 0 H LEU A 61 -4.440 -10.357 1.519 1.00 0.07 H new ATOM 0 HA LEU A 61 -6.410 -8.365 1.006 1.00 0.08 H new ATOM 0 HB2 LEU A 61 -6.620 -10.538 2.336 1.00 0.10 H new ATOM 0 HB3 LEU A 61 -5.761 -9.732 3.633 1.00 0.10 H new ATOM 0 HG LEU A 61 -7.663 -7.893 3.272 1.00 0.10 H new ATOM 0 HD11 LEU A 61 -9.822 -8.981 2.771 1.00 0.11 H new ATOM 0 HD12 LEU A 61 -8.712 -9.044 1.382 1.00 0.11 H new ATOM 0 HD13 LEU A 61 -8.964 -10.492 2.386 1.00 0.11 H new ATOM 0 HD21 LEU A 61 -8.946 -8.978 5.068 1.00 0.07 H new ATOM 0 HD22 LEU A 61 -8.058 -10.493 4.780 1.00 0.07 H new ATOM 0 HD23 LEU A 61 -7.193 -9.053 5.366 1.00 0.07 H new ATOM 967 N THR A 62 -3.886 -7.614 2.947 1.00 0.10 N ATOM 968 CA THR A 62 -3.213 -6.524 3.625 1.00 0.11 C ATOM 969 C THR A 62 -2.764 -5.466 2.623 1.00 0.10 C ATOM 970 O THR A 62 -2.907 -4.265 2.864 1.00 0.13 O ATOM 971 CB THR A 62 -1.998 -7.039 4.413 1.00 0.13 C ATOM 972 OG1 THR A 62 -1.703 -8.389 4.025 1.00 0.12 O ATOM 973 CG2 THR A 62 -2.242 -6.986 5.911 1.00 0.15 C ATOM 0 H THR A 62 -3.346 -8.478 2.894 1.00 0.10 H new ATOM 0 HA THR A 62 -3.920 -6.076 4.323 1.00 0.11 H new ATOM 0 HB THR A 62 -1.152 -6.392 4.182 1.00 0.13 H new ATOM 0 HG1 THR A 62 -1.438 -8.408 3.082 1.00 0.12 H new ATOM 0 HG21 THR A 62 -1.362 -7.358 6.436 1.00 0.15 H new ATOM 0 HG22 THR A 62 -2.436 -5.957 6.212 1.00 0.15 H new ATOM 0 HG23 THR A 62 -3.103 -7.606 6.162 1.00 0.15 H new ATOM 981 N ALA A 63 -2.238 -5.926 1.491 1.00 0.08 N ATOM 982 CA ALA A 63 -1.760 -5.038 0.438 1.00 0.08 C ATOM 983 C ALA A 63 -2.876 -4.142 -0.091 1.00 0.07 C ATOM 984 O ALA A 63 -2.698 -2.932 -0.238 1.00 0.08 O ATOM 985 CB ALA A 63 -1.167 -5.854 -0.703 1.00 0.08 C ATOM 0 H ALA A 63 -2.132 -6.918 1.280 1.00 0.08 H new ATOM 0 HA ALA A 63 -0.990 -4.397 0.868 1.00 0.08 H new ATOM 0 HB1 ALA A 63 -0.813 -5.182 -1.485 1.00 0.08 H new ATOM 0 HB2 ALA A 63 -0.333 -6.449 -0.330 1.00 0.08 H new ATOM 0 HB3 ALA A 63 -1.930 -6.516 -1.112 1.00 0.08 H new ATOM 991 N VAL A 64 -4.030 -4.741 -0.354 1.00 0.07 N ATOM 992 CA VAL A 64 -5.168 -4.000 -0.880 1.00 0.08 C ATOM 993 C VAL A 64 -5.745 -3.042 0.161 1.00 0.09 C ATOM 994 O VAL A 64 -6.285 -1.992 -0.184 1.00 0.12 O ATOM 995 CB VAL A 64 -6.259 -4.956 -1.416 1.00 0.08 C ATOM 996 CG1 VAL A 64 -7.004 -5.637 -0.280 1.00 0.05 C ATOM 997 CG2 VAL A 64 -7.219 -4.219 -2.337 1.00 0.12 C ATOM 0 H VAL A 64 -4.202 -5.736 -0.212 1.00 0.07 H new ATOM 0 HA VAL A 64 -4.806 -3.400 -1.715 1.00 0.08 H new ATOM 0 HB VAL A 64 -5.764 -5.734 -1.997 1.00 0.08 H new ATOM 0 HG11 VAL A 64 -7.764 -6.302 -0.690 1.00 0.05 H new ATOM 0 HG12 VAL A 64 -6.302 -6.215 0.321 1.00 0.05 H new ATOM 0 HG13 VAL A 64 -7.481 -4.883 0.346 1.00 0.05 H new ATOM 0 HG21 VAL A 64 -7.977 -4.912 -2.702 1.00 0.12 H new ATOM 0 HG22 VAL A 64 -7.701 -3.410 -1.788 1.00 0.12 H new ATOM 0 HG23 VAL A 64 -6.668 -3.807 -3.182 1.00 0.12 H new ATOM 1007 N GLN A 65 -5.605 -3.389 1.435 1.00 0.08 N ATOM 1008 CA GLN A 65 -6.107 -2.540 2.506 1.00 0.09 C ATOM 1009 C GLN A 65 -5.261 -1.276 2.595 1.00 0.07 C ATOM 1010 O GLN A 65 -5.788 -0.162 2.693 1.00 0.12 O ATOM 1011 CB GLN A 65 -6.094 -3.291 3.840 1.00 0.10 C ATOM 1012 CG GLN A 65 -7.148 -2.801 4.833 1.00 0.10 C ATOM 1013 CD GLN A 65 -6.638 -1.679 5.721 1.00 0.24 C ATOM 1014 OE1 GLN A 65 -6.883 -0.441 5.323 1.00 0.81 O flip ATOM 1015 NE2 GLN A 65 -6.033 -1.925 6.761 1.00 0.31 N flip ATOM 0 H GLN A 65 -5.151 -4.247 1.749 1.00 0.08 H new ATOM 0 HA GLN A 65 -7.138 -2.263 2.286 1.00 0.09 H new ATOM 0 HB2 GLN A 65 -6.252 -4.353 3.650 1.00 0.10 H new ATOM 0 HB3 GLN A 65 -5.107 -3.192 4.293 1.00 0.10 H new ATOM 0 HG2 GLN A 65 -8.025 -2.456 4.285 1.00 0.10 H new ATOM 0 HG3 GLN A 65 -7.470 -3.635 5.457 1.00 0.10 H new ATOM 0 HE21 GLN A 65 -5.863 -2.893 7.035 1.00 0.31 H new ATOM 0 HE22 GLN A 65 -5.701 -1.162 7.350 1.00 0.31 H new ATOM 1024 N ILE A 66 -3.943 -1.460 2.541 1.00 0.02 N ATOM 1025 CA ILE A 66 -3.003 -0.349 2.605 1.00 0.03 C ATOM 1026 C ILE A 66 -3.254 0.632 1.463 1.00 0.05 C ATOM 1027 O ILE A 66 -3.326 1.842 1.672 1.00 0.18 O ATOM 1028 CB ILE A 66 -1.540 -0.847 2.539 1.00 0.10 C ATOM 1029 CG1 ILE A 66 -1.196 -1.660 3.794 1.00 0.74 C ATOM 1030 CG2 ILE A 66 -0.581 0.327 2.378 1.00 0.71 C ATOM 1031 CD1 ILE A 66 0.072 -2.479 3.666 1.00 1.29 C ATOM 0 H ILE A 66 -3.502 -2.376 2.452 1.00 0.02 H new ATOM 0 HA ILE A 66 -3.158 0.156 3.559 1.00 0.03 H new ATOM 0 HB ILE A 66 -1.433 -1.495 1.669 1.00 0.10 H new ATOM 0 HG12 ILE A 66 -1.094 -0.979 4.639 1.00 0.74 H new ATOM 0 HG13 ILE A 66 -2.027 -2.328 4.021 1.00 0.74 H new ATOM 0 HG21 ILE A 66 0.443 -0.043 2.334 1.00 0.71 H new ATOM 0 HG22 ILE A 66 -0.813 0.863 1.458 1.00 0.71 H new ATOM 0 HG23 ILE A 66 -0.686 1.002 3.227 1.00 0.71 H new ATOM 0 HD11 ILE A 66 0.248 -3.025 4.593 1.00 1.29 H new ATOM 0 HD12 ILE A 66 -0.033 -3.186 2.843 1.00 1.29 H new ATOM 0 HD13 ILE A 66 0.915 -1.816 3.470 1.00 1.29 H new ATOM 1043 N ALA A 67 -3.414 0.094 0.259 1.00 0.07 N ATOM 1044 CA ALA A 67 -3.655 0.913 -0.921 1.00 0.05 C ATOM 1045 C ALA A 67 -4.959 1.696 -0.793 1.00 0.04 C ATOM 1046 O ALA A 67 -5.031 2.858 -1.185 1.00 0.03 O ATOM 1047 CB ALA A 67 -3.681 0.044 -2.169 1.00 0.06 C ATOM 0 H ALA A 67 -3.381 -0.909 0.075 1.00 0.07 H new ATOM 0 HA ALA A 67 -2.839 1.631 -1.006 1.00 0.05 H new ATOM 0 HB1 ALA A 67 -3.862 0.669 -3.044 1.00 0.06 H new ATOM 0 HB2 ALA A 67 -2.723 -0.465 -2.278 1.00 0.06 H new ATOM 0 HB3 ALA A 67 -4.477 -0.696 -2.081 1.00 0.06 H new ATOM 1053 N SER A 68 -5.973 1.066 -0.212 1.00 0.05 N ATOM 1054 CA SER A 68 -7.276 1.700 -0.045 1.00 0.07 C ATOM 1055 C SER A 68 -7.195 2.917 0.882 1.00 0.08 C ATOM 1056 O SER A 68 -7.722 3.984 0.559 1.00 0.12 O ATOM 1057 CB SER A 68 -8.294 0.692 0.500 1.00 0.07 C ATOM 1058 OG SER A 68 -9.609 1.009 0.074 1.00 0.04 O ATOM 0 H SER A 68 -5.918 0.115 0.152 1.00 0.05 H new ATOM 0 HA SER A 68 -7.603 2.045 -1.026 1.00 0.07 H new ATOM 0 HB2 SER A 68 -8.032 -0.311 0.164 1.00 0.07 H new ATOM 0 HB3 SER A 68 -8.254 0.684 1.589 1.00 0.07 H new ATOM 0 HG SER A 68 -10.238 0.349 0.434 1.00 0.04 H new ATOM 1064 N GLU A 69 -6.524 2.762 2.019 1.00 0.08 N ATOM 1065 CA GLU A 69 -6.394 3.852 2.983 1.00 0.14 C ATOM 1066 C GLU A 69 -5.401 4.909 2.514 1.00 0.10 C ATOM 1067 O GLU A 69 -5.397 6.033 3.012 1.00 0.10 O ATOM 1068 CB GLU A 69 -5.977 3.316 4.352 1.00 0.19 C ATOM 1069 CG GLU A 69 -7.151 2.861 5.206 1.00 0.29 C ATOM 1070 CD GLU A 69 -8.088 3.997 5.565 1.00 0.63 C ATOM 1071 OE1 GLU A 69 -7.650 4.947 6.249 1.00 0.82 O ATOM 1072 OE2 GLU A 69 -9.274 3.943 5.178 1.00 0.79 O1- ATOM 0 H GLU A 69 -6.063 1.895 2.296 1.00 0.08 H new ATOM 0 HA GLU A 69 -7.373 4.325 3.067 1.00 0.14 H new ATOM 0 HB2 GLU A 69 -5.292 2.479 4.213 1.00 0.19 H new ATOM 0 HB3 GLU A 69 -5.428 4.092 4.886 1.00 0.19 H new ATOM 0 HG2 GLU A 69 -7.708 2.092 4.671 1.00 0.29 H new ATOM 0 HG3 GLU A 69 -6.774 2.404 6.121 1.00 0.29 H new ATOM 1079 N TYR A 70 -4.560 4.559 1.556 1.00 0.07 N ATOM 1080 CA TYR A 70 -3.577 5.502 1.048 1.00 0.04 C ATOM 1081 C TYR A 70 -4.099 6.245 -0.180 1.00 0.03 C ATOM 1082 O TYR A 70 -3.621 7.329 -0.510 1.00 0.04 O ATOM 1083 CB TYR A 70 -2.262 4.790 0.733 1.00 0.05 C ATOM 1084 CG TYR A 70 -1.126 5.237 1.623 1.00 0.18 C ATOM 1085 CD1 TYR A 70 -0.762 6.575 1.680 1.00 0.36 C ATOM 1086 CD2 TYR A 70 -0.423 4.332 2.412 1.00 0.37 C ATOM 1087 CE1 TYR A 70 0.263 7.000 2.494 1.00 0.47 C ATOM 1088 CE2 TYR A 70 0.607 4.752 3.228 1.00 0.46 C ATOM 1089 CZ TYR A 70 0.943 6.086 3.264 1.00 0.44 C ATOM 1090 OH TYR A 70 1.964 6.506 4.079 1.00 0.58 O ATOM 0 H TYR A 70 -4.537 3.638 1.117 1.00 0.07 H new ATOM 0 HA TYR A 70 -3.391 6.242 1.827 1.00 0.04 H new ATOM 0 HB2 TYR A 70 -2.401 3.714 0.842 1.00 0.05 H new ATOM 0 HB3 TYR A 70 -1.995 4.973 -0.308 1.00 0.05 H new ATOM 0 HD1 TYR A 70 -1.292 7.295 1.075 1.00 0.36 H new ATOM 0 HD2 TYR A 70 -0.688 3.285 2.385 1.00 0.37 H new ATOM 0 HE1 TYR A 70 0.532 8.045 2.528 1.00 0.47 H new ATOM 0 HE2 TYR A 70 1.146 4.039 3.834 1.00 0.46 H new ATOM 0 HH TYR A 70 2.020 5.919 4.862 1.00 0.58 H new ATOM 1100 N LEU A 71 -5.096 5.674 -0.848 1.00 0.07 N ATOM 1101 CA LEU A 71 -5.680 6.304 -2.027 1.00 0.11 C ATOM 1102 C LEU A 71 -6.474 7.543 -1.630 1.00 0.12 C ATOM 1103 O LEU A 71 -6.613 8.481 -2.414 1.00 0.16 O ATOM 1104 CB LEU A 71 -6.582 5.325 -2.785 1.00 0.13 C ATOM 1105 CG LEU A 71 -5.864 4.415 -3.802 1.00 0.14 C ATOM 1106 CD1 LEU A 71 -6.803 3.350 -4.357 1.00 0.12 C ATOM 1107 CD2 LEU A 71 -5.263 5.226 -4.945 1.00 0.23 C ATOM 0 H LEU A 71 -5.515 4.779 -0.594 1.00 0.07 H new ATOM 0 HA LEU A 71 -4.865 6.601 -2.687 1.00 0.11 H new ATOM 0 HB2 LEU A 71 -7.096 4.695 -2.059 1.00 0.13 H new ATOM 0 HB3 LEU A 71 -7.348 5.896 -3.311 1.00 0.13 H new ATOM 0 HG LEU A 71 -5.055 3.917 -3.268 1.00 0.14 H new ATOM 0 HD11 LEU A 71 -6.265 2.726 -5.071 1.00 0.12 H new ATOM 0 HD12 LEU A 71 -7.173 2.730 -3.540 1.00 0.12 H new ATOM 0 HD13 LEU A 71 -7.643 3.831 -4.857 1.00 0.12 H new ATOM 0 HD21 LEU A 71 -4.764 4.555 -5.644 1.00 0.23 H new ATOM 0 HD22 LEU A 71 -6.055 5.767 -5.463 1.00 0.23 H new ATOM 0 HD23 LEU A 71 -4.540 5.937 -4.546 1.00 0.23 H new ATOM 1119 N LYS A 72 -6.983 7.547 -0.405 1.00 0.13 N ATOM 1120 CA LYS A 72 -7.754 8.678 0.094 1.00 0.16 C ATOM 1121 C LYS A 72 -6.823 9.808 0.530 1.00 0.16 C ATOM 1122 O LYS A 72 -7.242 10.958 0.666 1.00 0.30 O ATOM 1123 CB LYS A 72 -8.650 8.239 1.259 1.00 0.18 C ATOM 1124 CG LYS A 72 -7.895 7.895 2.537 1.00 0.18 C ATOM 1125 CD LYS A 72 -8.597 6.802 3.337 1.00 0.22 C ATOM 1126 CE LYS A 72 -9.981 7.229 3.796 1.00 0.25 C ATOM 1127 NZ LYS A 72 -10.602 6.217 4.692 1.00 0.24 N1+ ATOM 0 H LYS A 72 -6.876 6.781 0.260 1.00 0.13 H new ATOM 0 HA LYS A 72 -8.389 9.048 -0.711 1.00 0.16 H new ATOM 0 HB2 LYS A 72 -9.362 9.036 1.475 1.00 0.18 H new ATOM 0 HB3 LYS A 72 -9.230 7.370 0.948 1.00 0.18 H new ATOM 0 HG2 LYS A 72 -6.886 7.569 2.286 1.00 0.18 H new ATOM 0 HG3 LYS A 72 -7.797 8.789 3.153 1.00 0.18 H new ATOM 0 HD2 LYS A 72 -8.679 5.903 2.727 1.00 0.22 H new ATOM 0 HD3 LYS A 72 -7.991 6.543 4.205 1.00 0.22 H new ATOM 0 HE2 LYS A 72 -9.913 8.183 4.318 1.00 0.25 H new ATOM 0 HE3 LYS A 72 -10.620 7.386 2.927 1.00 0.25 H new ATOM 0 HZ1 LYS A 72 -11.471 5.851 4.253 1.00 0.24 H new ATOM 0 HZ2 LYS A 72 -9.935 5.434 4.845 1.00 0.24 H new ATOM 0 HZ3 LYS A 72 -10.834 6.658 5.605 1.00 0.24 H new ATOM 1141 N LEU A 73 -5.549 9.477 0.719 1.00 0.03 N ATOM 1142 CA LEU A 73 -4.557 10.455 1.143 1.00 0.05 C ATOM 1143 C LEU A 73 -4.203 11.381 -0.017 1.00 0.05 C ATOM 1144 O LEU A 73 -4.148 12.601 0.138 1.00 0.10 O ATOM 1145 CB LEU A 73 -3.305 9.733 1.683 1.00 0.14 C ATOM 1146 CG LEU A 73 -2.234 10.603 2.373 1.00 0.17 C ATOM 1147 CD1 LEU A 73 -1.312 11.251 1.353 1.00 0.18 C ATOM 1148 CD2 LEU A 73 -2.862 11.658 3.278 1.00 0.24 C ATOM 0 H LEU A 73 -5.180 8.536 0.584 1.00 0.03 H new ATOM 0 HA LEU A 73 -4.972 11.065 1.946 1.00 0.05 H new ATOM 0 HB2 LEU A 73 -3.633 8.974 2.393 1.00 0.14 H new ATOM 0 HB3 LEU A 73 -2.832 9.210 0.852 1.00 0.14 H new ATOM 0 HG LEU A 73 -1.637 9.941 3.000 1.00 0.17 H new ATOM 0 HD11 LEU A 73 -0.568 11.858 1.869 1.00 0.18 H new ATOM 0 HD12 LEU A 73 -0.810 10.477 0.773 1.00 0.18 H new ATOM 0 HD13 LEU A 73 -1.896 11.884 0.685 1.00 0.18 H new ATOM 0 HD21 LEU A 73 -2.076 12.251 3.746 1.00 0.24 H new ATOM 0 HD22 LEU A 73 -3.504 12.310 2.686 1.00 0.24 H new ATOM 0 HD23 LEU A 73 -3.456 11.168 4.050 1.00 0.24 H new ATOM 1160 N LYS A 74 -3.979 10.798 -1.189 1.00 0.10 N ATOM 1161 CA LYS A 74 -3.639 11.587 -2.367 1.00 0.18 C ATOM 1162 C LYS A 74 -4.862 12.354 -2.862 1.00 0.21 C ATOM 1163 O LYS A 74 -4.738 13.398 -3.508 1.00 0.29 O ATOM 1164 CB LYS A 74 -3.078 10.698 -3.485 1.00 0.23 C ATOM 1165 CG LYS A 74 -3.978 9.529 -3.865 1.00 0.11 C ATOM 1166 CD LYS A 74 -3.822 9.147 -5.331 1.00 0.18 C ATOM 1167 CE LYS A 74 -2.449 8.562 -5.619 1.00 0.26 C ATOM 1168 NZ LYS A 74 -2.333 8.093 -7.024 1.00 0.15 N1+ ATOM 0 H LYS A 74 -4.026 9.792 -1.349 1.00 0.10 H new ATOM 0 HA LYS A 74 -2.866 12.301 -2.084 1.00 0.18 H new ATOM 0 HB2 LYS A 74 -2.905 11.311 -4.369 1.00 0.23 H new ATOM 0 HB3 LYS A 74 -2.109 10.309 -3.173 1.00 0.23 H new ATOM 0 HG2 LYS A 74 -3.741 8.669 -3.238 1.00 0.11 H new ATOM 0 HG3 LYS A 74 -5.017 9.791 -3.666 1.00 0.11 H new ATOM 0 HD2 LYS A 74 -4.590 8.422 -5.601 1.00 0.18 H new ATOM 0 HD3 LYS A 74 -3.980 10.027 -5.955 1.00 0.18 H new ATOM 0 HE2 LYS A 74 -1.685 9.314 -5.423 1.00 0.26 H new ATOM 0 HE3 LYS A 74 -2.259 7.730 -4.941 1.00 0.26 H new ATOM 0 HZ1 LYS A 74 -1.383 7.701 -7.182 1.00 0.15 H new ATOM 0 HZ2 LYS A 74 -3.046 7.357 -7.204 1.00 0.15 H new ATOM 0 HZ3 LYS A 74 -2.489 8.892 -7.671 1.00 0.15 H new ATOM 1182 N GLU A 75 -6.041 11.841 -2.532 1.00 0.18 N ATOM 1183 CA GLU A 75 -7.293 12.464 -2.933 1.00 0.27 C ATOM 1184 C GLU A 75 -7.522 13.768 -2.167 1.00 0.23 C ATOM 1185 O GLU A 75 -7.891 14.785 -2.760 1.00 0.32 O ATOM 1186 CB GLU A 75 -8.458 11.499 -2.695 1.00 0.36 C ATOM 1187 CG GLU A 75 -9.789 11.992 -3.239 1.00 0.51 C ATOM 1188 CD GLU A 75 -9.794 12.118 -4.752 1.00 0.97 C ATOM 1189 OE1 GLU A 75 -9.378 13.175 -5.266 1.00 1.57 O1- ATOM 1190 OE2 GLU A 75 -10.222 11.162 -5.434 1.00 1.47 O ATOM 0 H GLU A 75 -6.155 10.989 -1.983 1.00 0.18 H new ATOM 0 HA GLU A 75 -7.236 12.699 -3.996 1.00 0.27 H new ATOM 0 HB2 GLU A 75 -8.222 10.540 -3.155 1.00 0.36 H new ATOM 0 HB3 GLU A 75 -8.558 11.323 -1.624 1.00 0.36 H new ATOM 0 HG2 GLU A 75 -10.578 11.305 -2.933 1.00 0.51 H new ATOM 0 HG3 GLU A 75 -10.021 12.961 -2.797 1.00 0.51 H new ATOM 1197 N GLU A 76 -7.290 13.743 -0.853 1.00 0.13 N ATOM 1198 CA GLU A 76 -7.482 14.933 -0.030 1.00 0.10 C ATOM 1199 C GLU A 76 -6.500 16.029 -0.437 1.00 0.05 C ATOM 1200 O GLU A 76 -6.825 17.215 -0.380 1.00 0.03 O ATOM 1201 CB GLU A 76 -7.345 14.596 1.466 1.00 0.10 C ATOM 1202 CG GLU A 76 -5.911 14.447 1.957 1.00 0.19 C ATOM 1203 CD GLU A 76 -5.505 15.551 2.913 1.00 0.51 C ATOM 1204 OE1 GLU A 76 -5.332 16.702 2.465 1.00 1.56 O ATOM 1205 OE2 GLU A 76 -5.362 15.275 4.124 1.00 0.59 O1- ATOM 0 H GLU A 76 -6.972 12.919 -0.342 1.00 0.13 H new ATOM 0 HA GLU A 76 -8.494 15.304 -0.195 1.00 0.10 H new ATOM 0 HB2 GLU A 76 -7.834 15.378 2.047 1.00 0.10 H new ATOM 0 HB3 GLU A 76 -7.881 13.668 1.666 1.00 0.10 H new ATOM 0 HG2 GLU A 76 -5.799 13.483 2.453 1.00 0.19 H new ATOM 0 HG3 GLU A 76 -5.236 14.446 1.101 1.00 0.19 H new ATOM 1212 N TYR A 77 -5.310 15.620 -0.873 1.00 0.06 N ATOM 1213 CA TYR A 77 -4.283 16.558 -1.306 1.00 0.05 C ATOM 1214 C TYR A 77 -4.770 17.335 -2.527 1.00 0.07 C ATOM 1215 O TYR A 77 -4.669 18.561 -2.580 1.00 0.11 O ATOM 1216 CB TYR A 77 -2.982 15.801 -1.625 1.00 0.09 C ATOM 1217 CG TYR A 77 -1.871 16.648 -2.227 1.00 0.12 C ATOM 1218 CD1 TYR A 77 -1.701 17.983 -1.871 1.00 0.12 C ATOM 1219 CD2 TYR A 77 -0.989 16.103 -3.150 1.00 0.14 C ATOM 1220 CE1 TYR A 77 -0.689 18.746 -2.418 1.00 0.16 C ATOM 1221 CE2 TYR A 77 0.026 16.859 -3.703 1.00 0.17 C ATOM 1222 CZ TYR A 77 0.172 18.179 -3.335 1.00 0.18 C ATOM 1223 OH TYR A 77 1.179 18.933 -3.893 1.00 0.21 O ATOM 0 H TYR A 77 -5.035 14.640 -0.935 1.00 0.06 H new ATOM 0 HA TYR A 77 -4.081 17.267 -0.503 1.00 0.05 H new ATOM 0 HB2 TYR A 77 -2.612 15.344 -0.707 1.00 0.09 H new ATOM 0 HB3 TYR A 77 -3.213 14.989 -2.315 1.00 0.09 H new ATOM 0 HD1 TYR A 77 -2.373 18.430 -1.154 1.00 0.12 H new ATOM 0 HD2 TYR A 77 -1.098 15.069 -3.441 1.00 0.14 H new ATOM 0 HE1 TYR A 77 -0.572 19.780 -2.130 1.00 0.16 H new ATOM 0 HE2 TYR A 77 0.702 16.418 -4.420 1.00 0.17 H new ATOM 0 HH TYR A 77 1.694 18.380 -4.517 1.00 0.21 H new ATOM 1233 N GLN A 78 -5.317 16.613 -3.495 1.00 0.10 N ATOM 1234 CA GLN A 78 -5.829 17.233 -4.710 1.00 0.13 C ATOM 1235 C GLN A 78 -7.052 18.091 -4.400 1.00 0.06 C ATOM 1236 O GLN A 78 -7.257 19.141 -5.008 1.00 0.08 O ATOM 1237 CB GLN A 78 -6.186 16.158 -5.739 1.00 0.19 C ATOM 1238 CG GLN A 78 -4.975 15.452 -6.328 1.00 0.23 C ATOM 1239 CD GLN A 78 -4.336 16.233 -7.462 1.00 0.31 C ATOM 1240 OE1 GLN A 78 -4.345 17.466 -7.473 1.00 0.51 O ATOM 1241 NE2 GLN A 78 -3.783 15.520 -8.427 1.00 0.26 N ATOM 0 H GLN A 78 -5.418 15.598 -3.463 1.00 0.10 H new ATOM 0 HA GLN A 78 -5.052 17.876 -5.124 1.00 0.13 H new ATOM 0 HB2 GLN A 78 -6.834 15.418 -5.269 1.00 0.19 H new ATOM 0 HB3 GLN A 78 -6.758 16.616 -6.547 1.00 0.19 H new ATOM 0 HG2 GLN A 78 -4.237 15.290 -5.543 1.00 0.23 H new ATOM 0 HG3 GLN A 78 -5.274 14.469 -6.692 1.00 0.23 H new ATOM 0 HE21 GLN A 78 -3.797 14.501 -8.380 1.00 0.26 H new ATOM 0 HE22 GLN A 78 -3.342 15.988 -9.219 1.00 0.26 H new ATOM 1250 N ARG A 79 -7.841 17.643 -3.434 1.00 0.04 N ATOM 1251 CA ARG A 79 -9.056 18.341 -3.029 1.00 0.11 C ATOM 1252 C ARG A 79 -8.717 19.661 -2.344 1.00 0.17 C ATOM 1253 O ARG A 79 -9.418 20.659 -2.497 1.00 0.29 O ATOM 1254 CB ARG A 79 -9.874 17.457 -2.085 1.00 0.18 C ATOM 1255 CG ARG A 79 -11.279 17.972 -1.810 1.00 0.46 C ATOM 1256 CD ARG A 79 -12.270 17.484 -2.853 1.00 0.78 C ATOM 1257 NE ARG A 79 -12.607 18.527 -3.820 1.00 1.20 N ATOM 1258 CZ ARG A 79 -13.672 19.321 -3.717 1.00 0.98 C ATOM 1259 NH1 ARG A 79 -14.500 19.201 -2.686 1.00 0.63 N1+ ATOM 1260 NH2 ARG A 79 -13.908 20.241 -4.645 1.00 1.78 N ATOM 0 H ARG A 79 -7.659 16.788 -2.909 1.00 0.04 H new ATOM 0 HA ARG A 79 -9.645 18.557 -3.920 1.00 0.11 H new ATOM 0 HB2 ARG A 79 -9.943 16.456 -2.511 1.00 0.18 H new ATOM 0 HB3 ARG A 79 -9.341 17.365 -1.139 1.00 0.18 H new ATOM 0 HG2 ARG A 79 -11.600 17.644 -0.821 1.00 0.46 H new ATOM 0 HG3 ARG A 79 -11.271 19.062 -1.797 1.00 0.46 H new ATOM 0 HD2 ARG A 79 -11.851 16.625 -3.378 1.00 0.78 H new ATOM 0 HD3 ARG A 79 -13.179 17.142 -2.357 1.00 0.78 H new ATOM 0 HE ARG A 79 -11.990 18.655 -4.622 1.00 1.20 H new ATOM 0 HH11 ARG A 79 -14.322 18.499 -1.968 1.00 0.63 H new ATOM 0 HH12 ARG A 79 -15.314 19.811 -2.612 1.00 0.63 H new ATOM 0 HH21 ARG A 79 -13.274 20.340 -5.438 1.00 1.78 H new ATOM 0 HH22 ARG A 79 -14.724 20.848 -4.565 1.00 1.78 H new ATOM 1274 N LEU A 80 -7.634 19.654 -1.588 1.00 0.11 N ATOM 1275 CA LEU A 80 -7.193 20.845 -0.882 1.00 0.17 C ATOM 1276 C LEU A 80 -6.504 21.812 -1.842 1.00 0.18 C ATOM 1277 O LEU A 80 -6.705 23.028 -1.772 1.00 0.22 O ATOM 1278 CB LEU A 80 -6.241 20.450 0.254 1.00 0.19 C ATOM 1279 CG LEU A 80 -5.389 21.591 0.823 1.00 0.22 C ATOM 1280 CD1 LEU A 80 -5.733 21.853 2.280 1.00 0.25 C ATOM 1281 CD2 LEU A 80 -3.904 21.279 0.674 1.00 0.23 C ATOM 0 H LEU A 80 -7.042 18.835 -1.447 1.00 0.11 H new ATOM 0 HA LEU A 80 -8.063 21.347 -0.459 1.00 0.17 H new ATOM 0 HB2 LEU A 80 -6.828 20.019 1.064 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -5.575 19.667 -0.108 1.00 0.19 H new ATOM 0 HG LEU A 80 -5.612 22.493 0.254 1.00 0.22 H new ATOM 0 HD11 LEU A 80 -5.115 22.667 2.659 1.00 0.25 H new ATOM 0 HD12 LEU A 80 -6.785 22.128 2.362 1.00 0.25 H new ATOM 0 HD13 LEU A 80 -5.547 20.953 2.865 1.00 0.25 H new ATOM 0 HD21 LEU A 80 -3.317 22.101 1.084 1.00 0.23 H new ATOM 0 HD22 LEU A 80 -3.669 20.361 1.213 1.00 0.23 H new ATOM 0 HD23 LEU A 80 -3.663 21.152 -0.381 1.00 0.23 H new ATOM 1293 N ARG A 81 -5.718 21.262 -2.759 1.00 0.17 N ATOM 1294 CA ARG A 81 -4.981 22.075 -3.722 1.00 0.21 C ATOM 1295 C ARG A 81 -5.898 22.754 -4.734 1.00 0.22 C ATOM 1296 O ARG A 81 -5.598 23.862 -5.183 1.00 0.31 O ATOM 1297 CB ARG A 81 -3.921 21.242 -4.451 1.00 0.21 C ATOM 1298 CG ARG A 81 -2.525 21.403 -3.864 1.00 0.25 C ATOM 1299 CD ARG A 81 -1.685 22.386 -4.672 1.00 0.43 C ATOM 1300 NE ARG A 81 -2.405 23.626 -4.983 1.00 0.50 N ATOM 1301 CZ ARG A 81 -1.939 24.568 -5.805 1.00 0.50 C ATOM 1302 NH1 ARG A 81 -0.734 24.438 -6.347 1.00 0.71 N1+ ATOM 1303 NH2 ARG A 81 -2.666 25.648 -6.067 1.00 0.54 N ATOM 0 H ARG A 81 -5.574 20.257 -2.857 1.00 0.17 H new ATOM 0 HA ARG A 81 -4.485 22.858 -3.149 1.00 0.21 H new ATOM 0 HB2 ARG A 81 -4.205 20.190 -4.413 1.00 0.21 H new ATOM 0 HB3 ARG A 81 -3.902 21.529 -5.502 1.00 0.21 H new ATOM 0 HG2 ARG A 81 -2.601 21.750 -2.834 1.00 0.25 H new ATOM 0 HG3 ARG A 81 -2.027 20.434 -3.838 1.00 0.25 H new ATOM 0 HD2 ARG A 81 -0.779 22.627 -4.115 1.00 0.43 H new ATOM 0 HD3 ARG A 81 -1.371 21.911 -5.601 1.00 0.43 H new ATOM 0 HE ARG A 81 -3.314 23.777 -4.546 1.00 0.50 H new ATOM 0 HH11 ARG A 81 -0.165 23.618 -6.135 1.00 0.71 H new ATOM 0 HH12 ARG A 81 -0.377 25.158 -6.976 1.00 0.71 H new ATOM 0 HH21 ARG A 81 -3.585 25.760 -5.639 1.00 0.54 H new ATOM 0 HH22 ARG A 81 -2.305 26.365 -6.696 1.00 0.54 H new ATOM 1551 N THR B 10 -18.780 -0.167 5.177 1.00 0.33 N ATOM 1552 CA THR B 10 -19.231 -1.502 4.836 1.00 0.31 C ATOM 1553 C THR B 10 -18.124 -2.278 4.132 1.00 0.23 C ATOM 1554 O THR B 10 -17.114 -1.704 3.717 1.00 0.23 O ATOM 1555 CB THR B 10 -20.507 -1.458 3.958 1.00 0.36 C ATOM 1556 OG1 THR B 10 -21.267 -2.662 4.135 1.00 0.42 O ATOM 1557 CG2 THR B 10 -20.172 -1.274 2.481 1.00 0.28 C ATOM 0 HA THR B 10 -19.481 -2.017 5.764 1.00 0.31 H new ATOM 0 HB THR B 10 -21.097 -0.599 4.278 1.00 0.36 H new ATOM 0 HG1 THR B 10 -22.072 -2.625 3.578 1.00 0.42 H new ATOM 0 HG21 THR B 10 -21.093 -1.248 1.899 1.00 0.28 H new ATOM 0 HG22 THR B 10 -19.631 -0.338 2.345 1.00 0.28 H new ATOM 0 HG23 THR B 10 -19.552 -2.104 2.142 1.00 0.28 H new ATOM 1565 N ARG B 11 -18.308 -3.582 4.011 1.00 0.25 N ATOM 1566 CA ARG B 11 -17.328 -4.428 3.361 1.00 0.21 C ATOM 1567 C ARG B 11 -17.749 -4.721 1.928 1.00 0.27 C ATOM 1568 O ARG B 11 -18.927 -4.952 1.654 1.00 0.53 O ATOM 1569 CB ARG B 11 -17.151 -5.734 4.134 1.00 0.24 C ATOM 1570 CG ARG B 11 -16.797 -5.529 5.596 1.00 0.31 C ATOM 1571 CD ARG B 11 -16.503 -6.847 6.292 1.00 0.68 C ATOM 1572 NE ARG B 11 -17.609 -7.798 6.164 1.00 1.23 N ATOM 1573 CZ ARG B 11 -17.993 -8.632 7.127 1.00 1.21 C ATOM 1574 NH1 ARG B 11 -17.420 -8.585 8.323 1.00 1.36 N1+ ATOM 1575 NH2 ARG B 11 -18.971 -9.498 6.899 1.00 1.72 N ATOM 0 H ARG B 11 -19.130 -4.077 4.356 1.00 0.25 H new ATOM 0 HA ARG B 11 -16.374 -3.900 3.346 1.00 0.21 H new ATOM 0 HB2 ARG B 11 -18.072 -6.313 4.069 1.00 0.24 H new ATOM 0 HB3 ARG B 11 -16.369 -6.325 3.658 1.00 0.24 H new ATOM 0 HG2 ARG B 11 -15.928 -4.875 5.672 1.00 0.31 H new ATOM 0 HG3 ARG B 11 -17.620 -5.025 6.103 1.00 0.31 H new ATOM 0 HD2 ARG B 11 -15.599 -7.285 5.870 1.00 0.68 H new ATOM 0 HD3 ARG B 11 -16.305 -6.662 7.348 1.00 0.68 H new ATOM 0 HE ARG B 11 -18.118 -7.823 5.280 1.00 1.23 H new ATOM 0 HH11 ARG B 11 -16.681 -7.907 8.508 1.00 1.36 H new ATOM 0 HH12 ARG B 11 -17.719 -9.227 9.057 1.00 1.36 H new ATOM 0 HH21 ARG B 11 -19.427 -9.524 5.987 1.00 1.72 H new ATOM 0 HH22 ARG B 11 -19.267 -10.138 7.636 1.00 1.72 H new ATOM 1589 N VAL B 12 -16.785 -4.706 1.024 1.00 0.16 N ATOM 1590 CA VAL B 12 -17.040 -4.971 -0.382 1.00 0.15 C ATOM 1591 C VAL B 12 -16.190 -6.146 -0.861 1.00 0.12 C ATOM 1592 O VAL B 12 -15.049 -6.314 -0.427 1.00 0.17 O ATOM 1593 CB VAL B 12 -16.752 -3.722 -1.252 1.00 0.19 C ATOM 1594 CG1 VAL B 12 -15.283 -3.322 -1.177 1.00 0.13 C ATOM 1595 CG2 VAL B 12 -17.178 -3.957 -2.697 1.00 0.25 C ATOM 0 H VAL B 12 -15.808 -4.511 1.242 1.00 0.16 H new ATOM 0 HA VAL B 12 -18.095 -5.223 -0.488 1.00 0.15 H new ATOM 0 HB VAL B 12 -17.342 -2.896 -0.853 1.00 0.19 H new ATOM 0 HG11 VAL B 12 -15.113 -2.443 -1.798 1.00 0.13 H new ATOM 0 HG12 VAL B 12 -15.021 -3.093 -0.144 1.00 0.13 H new ATOM 0 HG13 VAL B 12 -14.663 -4.144 -1.535 1.00 0.13 H new ATOM 0 HG21 VAL B 12 -16.966 -3.066 -3.288 1.00 0.25 H new ATOM 0 HG22 VAL B 12 -16.627 -4.804 -3.106 1.00 0.25 H new ATOM 0 HG23 VAL B 12 -18.247 -4.169 -2.731 1.00 0.25 H new ATOM 1605 N SER B 13 -16.760 -6.960 -1.733 1.00 0.09 N ATOM 1606 CA SER B 13 -16.063 -8.113 -2.274 1.00 0.12 C ATOM 1607 C SER B 13 -15.428 -7.762 -3.623 1.00 0.18 C ATOM 1608 O SER B 13 -16.126 -7.362 -4.556 1.00 0.48 O ATOM 1609 CB SER B 13 -17.051 -9.270 -2.423 1.00 0.12 C ATOM 1610 OG SER B 13 -18.038 -9.219 -1.400 1.00 0.38 O ATOM 0 H SER B 13 -17.711 -6.842 -2.083 1.00 0.09 H new ATOM 0 HA SER B 13 -15.265 -8.412 -1.595 1.00 0.12 H new ATOM 0 HB2 SER B 13 -17.530 -9.223 -3.401 1.00 0.12 H new ATOM 0 HB3 SER B 13 -16.518 -10.219 -2.375 1.00 0.12 H new ATOM 0 HG SER B 13 -18.663 -9.965 -1.511 1.00 0.38 H new ATOM 1616 N VAL B 14 -14.111 -7.891 -3.710 1.00 0.14 N ATOM 1617 CA VAL B 14 -13.387 -7.584 -4.942 1.00 0.13 C ATOM 1618 C VAL B 14 -12.455 -8.732 -5.318 1.00 0.09 C ATOM 1619 O VAL B 14 -11.972 -9.456 -4.446 1.00 0.19 O ATOM 1620 CB VAL B 14 -12.566 -6.281 -4.827 1.00 0.15 C ATOM 1621 CG1 VAL B 14 -13.467 -5.065 -4.968 1.00 0.27 C ATOM 1622 CG2 VAL B 14 -11.801 -6.230 -3.513 1.00 0.17 C ATOM 0 H VAL B 14 -13.519 -8.207 -2.942 1.00 0.14 H new ATOM 0 HA VAL B 14 -14.138 -7.446 -5.720 1.00 0.13 H new ATOM 0 HB VAL B 14 -11.840 -6.269 -5.640 1.00 0.15 H new ATOM 0 HG11 VAL B 14 -12.869 -4.157 -4.884 1.00 0.27 H new ATOM 0 HG12 VAL B 14 -13.958 -5.087 -5.941 1.00 0.27 H new ATOM 0 HG13 VAL B 14 -14.221 -5.077 -4.181 1.00 0.27 H new ATOM 0 HG21 VAL B 14 -11.232 -5.302 -3.459 1.00 0.17 H new ATOM 0 HG22 VAL B 14 -12.504 -6.274 -2.681 1.00 0.17 H new ATOM 0 HG23 VAL B 14 -11.118 -7.078 -3.456 1.00 0.17 H new ATOM 1632 N ARG B 15 -12.195 -8.888 -6.608 1.00 0.17 N ATOM 1633 CA ARG B 15 -11.342 -9.965 -7.090 1.00 0.12 C ATOM 1634 C ARG B 15 -9.905 -9.494 -7.321 1.00 0.08 C ATOM 1635 O ARG B 15 -9.665 -8.534 -8.056 1.00 0.12 O ATOM 1636 CB ARG B 15 -11.920 -10.537 -8.384 1.00 0.19 C ATOM 1637 CG ARG B 15 -11.434 -11.941 -8.707 1.00 0.32 C ATOM 1638 CD ARG B 15 -12.151 -12.516 -9.920 1.00 0.37 C ATOM 1639 NE ARG B 15 -11.680 -13.862 -10.250 1.00 0.23 N ATOM 1640 CZ ARG B 15 -11.717 -14.382 -11.476 1.00 0.17 C ATOM 1641 NH1 ARG B 15 -12.273 -13.701 -12.470 1.00 0.20 N1+ ATOM 1642 NH2 ARG B 15 -11.216 -15.590 -11.706 1.00 0.33 N ATOM 0 H ARG B 15 -12.563 -8.281 -7.341 1.00 0.17 H new ATOM 0 HA ARG B 15 -11.314 -10.739 -6.323 1.00 0.12 H new ATOM 0 HB2 ARG B 15 -13.008 -10.547 -8.312 1.00 0.19 H new ATOM 0 HB3 ARG B 15 -11.662 -9.874 -9.210 1.00 0.19 H new ATOM 0 HG2 ARG B 15 -10.360 -11.921 -8.894 1.00 0.32 H new ATOM 0 HG3 ARG B 15 -11.596 -12.590 -7.846 1.00 0.32 H new ATOM 0 HD2 ARG B 15 -13.223 -12.545 -9.727 1.00 0.37 H new ATOM 0 HD3 ARG B 15 -11.999 -11.859 -10.776 1.00 0.37 H new ATOM 0 HE ARG B 15 -11.301 -14.436 -9.497 1.00 0.23 H new ATOM 0 HH11 ARG B 15 -12.672 -12.779 -12.296 1.00 0.20 H new ATOM 0 HH12 ARG B 15 -12.301 -14.100 -13.408 1.00 0.20 H new ATOM 0 HH21 ARG B 15 -10.801 -16.124 -10.942 1.00 0.33 H new ATOM 0 HH22 ARG B 15 -11.246 -15.984 -12.646 1.00 0.33 H new ATOM 1656 N ILE B 16 -8.954 -10.176 -6.689 1.00 0.03 N ATOM 1657 CA ILE B 16 -7.539 -9.847 -6.828 1.00 0.08 C ATOM 1658 C ILE B 16 -6.743 -11.094 -7.218 1.00 0.13 C ATOM 1659 O ILE B 16 -6.753 -12.095 -6.497 1.00 0.15 O ATOM 1660 CB ILE B 16 -6.940 -9.263 -5.526 1.00 0.10 C ATOM 1661 CG1 ILE B 16 -7.936 -8.316 -4.849 1.00 0.11 C ATOM 1662 CG2 ILE B 16 -5.637 -8.533 -5.829 1.00 0.15 C ATOM 1663 CD1 ILE B 16 -7.545 -7.928 -3.438 1.00 0.15 C ATOM 0 H ILE B 16 -9.140 -10.966 -6.071 1.00 0.03 H new ATOM 0 HA ILE B 16 -7.468 -9.089 -7.608 1.00 0.08 H new ATOM 0 HB ILE B 16 -6.732 -10.086 -4.842 1.00 0.10 H new ATOM 0 HG12 ILE B 16 -8.032 -7.413 -5.451 1.00 0.11 H new ATOM 0 HG13 ILE B 16 -8.917 -8.790 -4.827 1.00 0.11 H new ATOM 0 HG21 ILE B 16 -5.225 -8.126 -4.906 1.00 0.15 H new ATOM 0 HG22 ILE B 16 -4.924 -9.230 -6.269 1.00 0.15 H new ATOM 0 HG23 ILE B 16 -5.830 -7.720 -6.529 1.00 0.15 H new ATOM 0 HD11 ILE B 16 -8.297 -7.257 -3.024 1.00 0.15 H new ATOM 0 HD12 ILE B 16 -7.478 -8.823 -2.820 1.00 0.15 H new ATOM 0 HD13 ILE B 16 -6.578 -7.424 -3.454 1.00 0.15 H new ATOM 1675 N TYR B 17 -6.090 -11.033 -8.378 1.00 0.18 N ATOM 1676 CA TYR B 17 -5.273 -12.136 -8.899 1.00 0.25 C ATOM 1677 C TYR B 17 -6.100 -13.405 -9.129 1.00 0.24 C ATOM 1678 O TYR B 17 -5.558 -14.511 -9.185 1.00 0.27 O ATOM 1679 CB TYR B 17 -4.088 -12.434 -7.974 1.00 0.29 C ATOM 1680 CG TYR B 17 -2.834 -12.845 -8.716 1.00 0.23 C ATOM 1681 CD1 TYR B 17 -2.261 -12.006 -9.667 1.00 0.22 C ATOM 1682 CD2 TYR B 17 -2.224 -14.067 -8.470 1.00 0.27 C ATOM 1683 CE1 TYR B 17 -1.117 -12.376 -10.348 1.00 0.20 C ATOM 1684 CE2 TYR B 17 -1.079 -14.443 -9.147 1.00 0.31 C ATOM 1685 CZ TYR B 17 -0.529 -13.595 -10.085 1.00 0.26 C ATOM 1686 OH TYR B 17 0.608 -13.971 -10.766 1.00 0.34 O ATOM 0 H TYR B 17 -6.111 -10.215 -8.987 1.00 0.18 H new ATOM 0 HA TYR B 17 -4.887 -11.811 -9.865 1.00 0.25 H new ATOM 0 HB2 TYR B 17 -3.873 -11.549 -7.375 1.00 0.29 H new ATOM 0 HB3 TYR B 17 -4.368 -13.228 -7.281 1.00 0.29 H new ATOM 0 HD1 TYR B 17 -2.718 -11.050 -9.876 1.00 0.22 H new ATOM 0 HD2 TYR B 17 -2.651 -14.736 -7.737 1.00 0.27 H new ATOM 0 HE1 TYR B 17 -0.685 -11.713 -11.083 1.00 0.20 H new ATOM 0 HE2 TYR B 17 -0.617 -15.397 -8.942 1.00 0.31 H new ATOM 0 HH TYR B 17 1.266 -13.245 -10.730 1.00 0.34 H new ATOM 1696 N GLY B 18 -7.411 -13.248 -9.260 1.00 0.21 N ATOM 1697 CA GLY B 18 -8.265 -14.395 -9.508 1.00 0.22 C ATOM 1698 C GLY B 18 -9.160 -14.773 -8.340 1.00 0.22 C ATOM 1699 O GLY B 18 -10.188 -15.416 -8.540 1.00 0.24 O ATOM 0 H GLY B 18 -7.897 -12.353 -9.200 1.00 0.21 H new ATOM 0 HA2 GLY B 18 -8.890 -14.187 -10.377 1.00 0.22 H new ATOM 0 HA3 GLY B 18 -7.639 -15.250 -9.763 1.00 0.22 H new ATOM 1703 N GLN B 19 -8.793 -14.378 -7.129 1.00 0.20 N ATOM 1704 CA GLN B 19 -9.593 -14.716 -5.953 1.00 0.21 C ATOM 1705 C GLN B 19 -10.371 -13.507 -5.453 1.00 0.18 C ATOM 1706 O GLN B 19 -9.889 -12.381 -5.531 1.00 0.13 O ATOM 1707 CB GLN B 19 -8.707 -15.263 -4.836 1.00 0.22 C ATOM 1708 CG GLN B 19 -8.496 -16.766 -4.907 1.00 0.56 C ATOM 1709 CD GLN B 19 -9.802 -17.535 -4.864 1.00 0.86 C ATOM 1710 OE1 GLN B 19 -10.412 -17.799 -5.897 1.00 0.81 O ATOM 1711 NE2 GLN B 19 -10.235 -17.909 -3.671 1.00 1.36 N ATOM 0 H GLN B 19 -7.956 -13.829 -6.932 1.00 0.20 H new ATOM 0 HA GLN B 19 -10.305 -15.487 -6.248 1.00 0.21 H new ATOM 0 HB2 GLN B 19 -7.738 -14.766 -4.877 1.00 0.22 H new ATOM 0 HB3 GLN B 19 -9.154 -15.012 -3.874 1.00 0.22 H new ATOM 0 HG2 GLN B 19 -7.962 -17.012 -5.825 1.00 0.56 H new ATOM 0 HG3 GLN B 19 -7.864 -17.081 -4.077 1.00 0.56 H new ATOM 0 HE21 GLN B 19 -9.700 -17.670 -2.836 1.00 1.36 H new ATOM 0 HE22 GLN B 19 -11.104 -18.436 -3.586 1.00 1.36 H new ATOM 1720 N ASP B 20 -11.570 -13.752 -4.947 1.00 0.24 N ATOM 1721 CA ASP B 20 -12.420 -12.682 -4.433 1.00 0.24 C ATOM 1722 C ASP B 20 -12.252 -12.547 -2.923 1.00 0.23 C ATOM 1723 O ASP B 20 -12.238 -13.548 -2.205 1.00 0.23 O ATOM 1724 CB ASP B 20 -13.887 -12.957 -4.773 1.00 0.31 C ATOM 1725 CG ASP B 20 -14.689 -11.688 -4.981 1.00 0.41 C ATOM 1726 OD1 ASP B 20 -14.741 -11.195 -6.128 1.00 1.64 O ATOM 1727 OD2 ASP B 20 -15.290 -11.193 -4.009 1.00 0.39 O1- ATOM 0 H ASP B 20 -11.980 -14.684 -4.880 1.00 0.24 H new ATOM 0 HA ASP B 20 -12.118 -11.747 -4.905 1.00 0.24 H new ATOM 0 HB2 ASP B 20 -13.938 -13.566 -5.676 1.00 0.31 H new ATOM 0 HB3 ASP B 20 -14.338 -13.539 -3.970 1.00 0.31 H new ATOM 1732 N TYR B 21 -12.121 -11.315 -2.447 1.00 0.23 N ATOM 1733 CA TYR B 21 -11.941 -11.055 -1.019 1.00 0.22 C ATOM 1734 C TYR B 21 -12.865 -9.940 -0.549 1.00 0.24 C ATOM 1735 O TYR B 21 -13.273 -9.088 -1.336 1.00 0.36 O ATOM 1736 CB TYR B 21 -10.495 -10.654 -0.718 1.00 0.19 C ATOM 1737 CG TYR B 21 -9.461 -11.608 -1.258 1.00 0.17 C ATOM 1738 CD1 TYR B 21 -9.204 -12.818 -0.624 1.00 0.16 C ATOM 1739 CD2 TYR B 21 -8.735 -11.297 -2.400 1.00 0.17 C ATOM 1740 CE1 TYR B 21 -8.254 -13.690 -1.114 1.00 0.15 C ATOM 1741 CE2 TYR B 21 -7.784 -12.166 -2.896 1.00 0.16 C ATOM 1742 CZ TYR B 21 -7.547 -13.360 -2.249 1.00 0.15 C ATOM 1743 OH TYR B 21 -6.596 -14.225 -2.738 1.00 0.14 O ATOM 0 H TYR B 21 -12.136 -10.477 -3.028 1.00 0.23 H new ATOM 0 HA TYR B 21 -12.183 -11.976 -0.488 1.00 0.22 H new ATOM 0 HB2 TYR B 21 -10.311 -9.664 -1.134 1.00 0.19 H new ATOM 0 HB3 TYR B 21 -10.370 -10.574 0.362 1.00 0.19 H new ATOM 0 HD1 TYR B 21 -9.757 -13.080 0.266 1.00 0.16 H new ATOM 0 HD2 TYR B 21 -8.917 -10.361 -2.908 1.00 0.17 H new ATOM 0 HE1 TYR B 21 -8.066 -14.627 -0.610 1.00 0.15 H new ATOM 0 HE2 TYR B 21 -7.228 -11.912 -3.787 1.00 0.16 H new ATOM 0 HH TYR B 21 -6.190 -13.843 -3.544 1.00 0.14 H new ATOM 1753 N THR B 22 -13.183 -9.946 0.737 1.00 0.18 N ATOM 1754 CA THR B 22 -14.048 -8.929 1.315 1.00 0.18 C ATOM 1755 C THR B 22 -13.220 -7.943 2.131 1.00 0.16 C ATOM 1756 O THR B 22 -12.583 -8.320 3.115 1.00 0.21 O ATOM 1757 CB THR B 22 -15.121 -9.564 2.215 1.00 0.20 C ATOM 1758 OG1 THR B 22 -15.237 -10.958 1.910 1.00 0.54 O ATOM 1759 CG2 THR B 22 -16.467 -8.891 2.013 1.00 0.26 C ATOM 0 H THR B 22 -12.854 -10.646 1.402 1.00 0.18 H new ATOM 0 HA THR B 22 -14.544 -8.404 0.499 1.00 0.18 H new ATOM 0 HB THR B 22 -14.820 -9.433 3.254 1.00 0.20 H new ATOM 0 HG1 THR B 22 -15.920 -11.363 2.485 1.00 0.54 H new ATOM 0 HG21 THR B 22 -17.208 -9.359 2.661 1.00 0.26 H new ATOM 0 HG22 THR B 22 -16.385 -7.832 2.260 1.00 0.26 H new ATOM 0 HG23 THR B 22 -16.775 -8.998 0.973 1.00 0.26 H new ATOM 1767 N ILE B 23 -13.226 -6.683 1.716 1.00 0.11 N ATOM 1768 CA ILE B 23 -12.463 -5.641 2.396 1.00 0.11 C ATOM 1769 C ILE B 23 -13.369 -4.489 2.803 1.00 0.14 C ATOM 1770 O ILE B 23 -14.490 -4.378 2.315 1.00 0.32 O ATOM 1771 CB ILE B 23 -11.320 -5.106 1.510 1.00 0.07 C ATOM 1772 CG1 ILE B 23 -11.850 -4.711 0.123 1.00 0.07 C ATOM 1773 CG2 ILE B 23 -10.220 -6.150 1.395 1.00 0.03 C ATOM 1774 CD1 ILE B 23 -10.815 -4.065 -0.771 1.00 0.08 C ATOM 0 H ILE B 23 -13.754 -6.355 0.907 1.00 0.11 H new ATOM 0 HA ILE B 23 -12.028 -6.092 3.288 1.00 0.11 H new ATOM 0 HB ILE B 23 -10.902 -4.213 1.975 1.00 0.07 H new ATOM 0 HG12 ILE B 23 -12.239 -5.601 -0.373 1.00 0.07 H new ATOM 0 HG13 ILE B 23 -12.687 -4.024 0.248 1.00 0.07 H new ATOM 0 HG21 ILE B 23 -9.416 -5.764 0.768 1.00 0.03 H new ATOM 0 HG22 ILE B 23 -9.829 -6.377 2.387 1.00 0.03 H new ATOM 0 HG23 ILE B 23 -10.625 -7.058 0.948 1.00 0.03 H new ATOM 0 HD11 ILE B 23 -11.268 -3.816 -1.731 1.00 0.08 H new ATOM 0 HD12 ILE B 23 -10.443 -3.156 -0.299 1.00 0.08 H new ATOM 0 HD13 ILE B 23 -9.988 -4.757 -0.929 1.00 0.08 H new ATOM 1786 N VAL B 24 -12.880 -3.634 3.695 1.00 0.16 N ATOM 1787 CA VAL B 24 -13.659 -2.492 4.166 1.00 0.17 C ATOM 1788 C VAL B 24 -13.571 -1.336 3.172 1.00 0.22 C ATOM 1789 O VAL B 24 -12.509 -0.739 2.992 1.00 0.28 O ATOM 1790 CB VAL B 24 -13.183 -2.006 5.555 1.00 0.19 C ATOM 1791 CG1 VAL B 24 -14.054 -0.859 6.052 1.00 0.20 C ATOM 1792 CG2 VAL B 24 -13.186 -3.151 6.556 1.00 0.18 C ATOM 0 H VAL B 24 -11.950 -3.709 4.106 1.00 0.16 H new ATOM 0 HA VAL B 24 -14.693 -2.825 4.253 1.00 0.17 H new ATOM 0 HB VAL B 24 -12.161 -1.641 5.455 1.00 0.19 H new ATOM 0 HG11 VAL B 24 -13.702 -0.532 7.030 1.00 0.20 H new ATOM 0 HG12 VAL B 24 -13.996 -0.028 5.349 1.00 0.20 H new ATOM 0 HG13 VAL B 24 -15.088 -1.195 6.132 1.00 0.20 H new ATOM 0 HG21 VAL B 24 -12.848 -2.787 7.526 1.00 0.18 H new ATOM 0 HG22 VAL B 24 -14.196 -3.550 6.650 1.00 0.18 H new ATOM 0 HG23 VAL B 24 -12.516 -3.938 6.210 1.00 0.18 H new ATOM 1802 N GLY B 25 -14.693 -1.020 2.537 1.00 0.21 N ATOM 1803 CA GLY B 25 -14.721 0.057 1.568 1.00 0.27 C ATOM 1804 C GLY B 25 -15.004 1.395 2.218 1.00 0.07 C ATOM 1805 O GLY B 25 -16.063 1.983 2.011 1.00 0.28 O ATOM 0 H GLY B 25 -15.586 -1.492 2.677 1.00 0.21 H new ATOM 0 HA2 GLY B 25 -13.764 0.102 1.047 1.00 0.27 H new ATOM 0 HA3 GLY B 25 -15.483 -0.150 0.817 1.00 0.27 H new ATOM 1809 N ALA B 26 -14.048 1.880 2.996 1.00 0.15 N ATOM 1810 CA ALA B 26 -14.198 3.151 3.690 1.00 0.36 C ATOM 1811 C ALA B 26 -13.639 4.307 2.868 1.00 0.34 C ATOM 1812 O ALA B 26 -12.884 5.139 3.379 1.00 0.57 O ATOM 1813 CB ALA B 26 -13.520 3.083 5.050 1.00 0.61 C ATOM 0 H ALA B 26 -13.158 1.411 3.163 1.00 0.15 H new ATOM 0 HA ALA B 26 -15.263 3.337 3.832 1.00 0.36 H new ATOM 0 HB1 ALA B 26 -13.637 4.038 5.563 1.00 0.61 H new ATOM 0 HB2 ALA B 26 -13.977 2.293 5.645 1.00 0.61 H new ATOM 0 HB3 ALA B 26 -12.459 2.870 4.918 1.00 0.61 H new ATOM 1819 N GLU B 27 -14.011 4.355 1.596 1.00 0.08 N ATOM 1820 CA GLU B 27 -13.559 5.416 0.712 1.00 0.06 C ATOM 1821 C GLU B 27 -14.711 5.926 -0.155 1.00 0.07 C ATOM 1822 O GLU B 27 -15.170 7.053 0.027 1.00 0.08 O ATOM 1823 CB GLU B 27 -12.394 4.930 -0.160 1.00 0.06 C ATOM 1824 CG GLU B 27 -11.289 5.960 -0.317 1.00 0.97 C ATOM 1825 CD GLU B 27 -11.805 7.295 -0.805 1.00 1.82 C ATOM 1826 OE1 GLU B 27 -12.429 7.336 -1.885 1.00 2.18 O ATOM 1827 OE2 GLU B 27 -11.598 8.306 -0.110 1.00 2.44 O1- ATOM 0 H GLU B 27 -14.625 3.670 1.155 1.00 0.08 H new ATOM 0 HA GLU B 27 -13.205 6.245 1.324 1.00 0.06 H new ATOM 0 HB2 GLU B 27 -11.976 4.023 0.277 1.00 0.06 H new ATOM 0 HB3 GLU B 27 -12.774 4.663 -1.146 1.00 0.06 H new ATOM 0 HG2 GLU B 27 -10.786 6.097 0.640 1.00 0.97 H new ATOM 0 HG3 GLU B 27 -10.544 5.584 -1.018 1.00 0.97 H new ATOM 1834 N SER B 28 -15.187 5.089 -1.076 1.00 0.08 N ATOM 1835 CA SER B 28 -16.271 5.457 -1.976 1.00 0.11 C ATOM 1836 C SER B 28 -16.680 4.243 -2.809 1.00 0.14 C ATOM 1837 O SER B 28 -15.856 3.362 -3.061 1.00 0.14 O ATOM 1838 CB SER B 28 -15.842 6.613 -2.886 1.00 0.16 C ATOM 1839 OG SER B 28 -14.499 6.461 -3.301 1.00 0.98 O ATOM 0 H SER B 28 -14.832 4.143 -1.216 1.00 0.08 H new ATOM 0 HA SER B 28 -17.126 5.788 -1.387 1.00 0.11 H new ATOM 0 HB2 SER B 28 -16.493 6.654 -3.759 1.00 0.16 H new ATOM 0 HB3 SER B 28 -15.958 7.559 -2.357 1.00 0.16 H new ATOM 0 HG SER B 28 -13.916 7.003 -2.729 1.00 0.98 H new ATOM 1845 N PRO B 29 -17.947 4.182 -3.257 1.00 0.17 N ATOM 1846 CA PRO B 29 -18.468 3.052 -4.048 1.00 0.21 C ATOM 1847 C PRO B 29 -17.796 2.886 -5.415 1.00 0.18 C ATOM 1848 O PRO B 29 -18.014 1.883 -6.095 1.00 0.20 O ATOM 1849 CB PRO B 29 -19.951 3.391 -4.227 1.00 0.30 C ATOM 1850 CG PRO B 29 -20.034 4.865 -4.038 1.00 0.28 C ATOM 1851 CD PRO B 29 -18.983 5.206 -3.022 1.00 0.18 C ATOM 0 HA PRO B 29 -18.278 2.106 -3.540 1.00 0.21 H new ATOM 0 HB2 PRO B 29 -20.306 3.099 -5.215 1.00 0.30 H new ATOM 0 HB3 PRO B 29 -20.567 2.864 -3.498 1.00 0.30 H new ATOM 0 HG2 PRO B 29 -19.856 5.390 -4.976 1.00 0.28 H new ATOM 0 HG3 PRO B 29 -21.024 5.160 -3.691 1.00 0.28 H new ATOM 0 HD2 PRO B 29 -18.594 6.214 -3.167 1.00 0.18 H new ATOM 0 HD3 PRO B 29 -19.374 5.158 -2.006 1.00 0.18 H new ATOM 1859 N ALA B 30 -16.993 3.860 -5.823 1.00 0.18 N ATOM 1860 CA ALA B 30 -16.312 3.785 -7.112 1.00 0.16 C ATOM 1861 C ALA B 30 -14.838 3.423 -6.939 1.00 0.10 C ATOM 1862 O ALA B 30 -14.343 2.491 -7.573 1.00 0.05 O ATOM 1863 CB ALA B 30 -16.456 5.098 -7.868 1.00 0.20 C ATOM 0 H ALA B 30 -16.797 4.705 -5.286 1.00 0.18 H new ATOM 0 HA ALA B 30 -16.784 2.994 -7.695 1.00 0.16 H new ATOM 0 HB1 ALA B 30 -15.942 5.024 -8.827 1.00 0.20 H new ATOM 0 HB2 ALA B 30 -17.512 5.306 -8.038 1.00 0.20 H new ATOM 0 HB3 ALA B 30 -16.017 5.905 -7.282 1.00 0.20 H new ATOM 1869 N HIS B 31 -14.149 4.155 -6.066 1.00 0.15 N ATOM 1870 CA HIS B 31 -12.725 3.922 -5.799 1.00 0.13 C ATOM 1871 C HIS B 31 -12.447 2.466 -5.433 1.00 0.07 C ATOM 1872 O HIS B 31 -11.481 1.876 -5.911 1.00 0.05 O ATOM 1873 CB HIS B 31 -12.235 4.819 -4.658 1.00 0.20 C ATOM 1874 CG HIS B 31 -11.624 6.113 -5.104 1.00 0.38 C ATOM 1875 ND1 HIS B 31 -11.408 7.169 -4.252 1.00 0.76 N ATOM 1876 CD2 HIS B 31 -11.186 6.519 -6.318 1.00 1.42 C ATOM 1877 CE1 HIS B 31 -10.849 8.161 -4.913 1.00 0.48 C ATOM 1878 NE2 HIS B 31 -10.705 7.796 -6.172 1.00 1.22 N ATOM 0 H HIS B 31 -14.554 4.920 -5.527 1.00 0.15 H new ATOM 0 HA HIS B 31 -12.189 4.161 -6.717 1.00 0.13 H new ATOM 0 HB2 HIS B 31 -13.074 5.037 -3.998 1.00 0.20 H new ATOM 0 HB3 HIS B 31 -11.501 4.269 -4.070 1.00 0.20 H new ATOM 0 HD1 HIS B 31 -11.644 7.182 -3.260 1.00 0.76 H new ATOM 0 HD2 HIS B 31 -11.210 5.945 -7.232 1.00 1.42 H new ATOM 0 HE1 HIS B 31 -10.558 9.113 -4.495 1.00 0.48 H new ATOM 1887 N ILE B 32 -13.309 1.897 -4.595 1.00 0.08 N ATOM 1888 CA ILE B 32 -13.159 0.512 -4.132 1.00 0.08 C ATOM 1889 C ILE B 32 -13.094 -0.504 -5.279 1.00 0.07 C ATOM 1890 O ILE B 32 -12.577 -1.606 -5.107 1.00 0.14 O ATOM 1891 CB ILE B 32 -14.293 0.102 -3.163 1.00 0.11 C ATOM 1892 CG1 ILE B 32 -15.670 0.204 -3.844 1.00 0.13 C ATOM 1893 CG2 ILE B 32 -14.236 0.960 -1.907 1.00 0.12 C ATOM 1894 CD1 ILE B 32 -16.822 -0.278 -2.985 1.00 0.10 C ATOM 0 H ILE B 32 -14.127 2.375 -4.217 1.00 0.08 H new ATOM 0 HA ILE B 32 -12.204 0.493 -3.606 1.00 0.08 H new ATOM 0 HB ILE B 32 -14.149 -0.940 -2.879 1.00 0.11 H new ATOM 0 HG12 ILE B 32 -15.849 1.242 -4.124 1.00 0.13 H new ATOM 0 HG13 ILE B 32 -15.651 -0.376 -4.767 1.00 0.13 H new ATOM 0 HG21 ILE B 32 -15.037 0.666 -1.229 1.00 0.12 H new ATOM 0 HG22 ILE B 32 -13.274 0.820 -1.414 1.00 0.12 H new ATOM 0 HG23 ILE B 32 -14.356 2.009 -2.177 1.00 0.12 H new ATOM 0 HD11 ILE B 32 -17.756 -0.173 -3.537 1.00 0.10 H new ATOM 0 HD12 ILE B 32 -16.669 -1.326 -2.726 1.00 0.10 H new ATOM 0 HD13 ILE B 32 -16.870 0.318 -2.073 1.00 0.10 H new ATOM 1906 N ARG B 33 -13.595 -0.132 -6.448 1.00 0.07 N ATOM 1907 CA ARG B 33 -13.589 -1.035 -7.594 1.00 0.05 C ATOM 1908 C ARG B 33 -12.236 -1.042 -8.303 1.00 0.04 C ATOM 1909 O ARG B 33 -11.895 -2.005 -8.989 1.00 0.05 O ATOM 1910 CB ARG B 33 -14.691 -0.649 -8.580 1.00 0.07 C ATOM 1911 CG ARG B 33 -16.044 -1.255 -8.246 1.00 0.59 C ATOM 1912 CD ARG B 33 -17.145 -0.207 -8.260 1.00 0.36 C ATOM 1913 NE ARG B 33 -17.216 0.501 -9.538 1.00 0.42 N ATOM 1914 CZ ARG B 33 -18.119 1.436 -9.822 1.00 0.84 C ATOM 1915 NH1 ARG B 33 -19.012 1.803 -8.911 1.00 1.03 N1+ ATOM 1916 NH2 ARG B 33 -18.126 2.009 -11.020 1.00 1.46 N ATOM 0 H ARG B 33 -14.009 0.782 -6.629 1.00 0.07 H new ATOM 0 HA ARG B 33 -13.775 -2.041 -7.218 1.00 0.05 H new ATOM 0 HB2 ARG B 33 -14.784 0.437 -8.602 1.00 0.07 H new ATOM 0 HB3 ARG B 33 -14.398 -0.964 -9.581 1.00 0.07 H new ATOM 0 HG2 ARG B 33 -16.279 -2.040 -8.965 1.00 0.59 H new ATOM 0 HG3 ARG B 33 -16.000 -1.725 -7.263 1.00 0.59 H new ATOM 0 HD2 ARG B 33 -18.103 -0.686 -8.058 1.00 0.36 H new ATOM 0 HD3 ARG B 33 -16.972 0.511 -7.458 1.00 0.36 H new ATOM 0 HE ARG B 33 -16.531 0.263 -10.256 1.00 0.42 H new ATOM 0 HH11 ARG B 33 -19.008 1.368 -7.989 1.00 1.03 H new ATOM 0 HH12 ARG B 33 -19.702 2.520 -9.133 1.00 1.03 H new ATOM 0 HH21 ARG B 33 -17.439 1.732 -11.722 1.00 1.46 H new ATOM 0 HH22 ARG B 33 -18.818 2.726 -11.238 1.00 1.46 H new ATOM 1930 N LEU B 34 -11.457 0.019 -8.131 1.00 0.06 N ATOM 1931 CA LEU B 34 -10.157 0.101 -8.789 1.00 0.09 C ATOM 1932 C LEU B 34 -9.010 -0.219 -7.832 1.00 0.08 C ATOM 1933 O LEU B 34 -7.882 -0.441 -8.269 1.00 0.12 O ATOM 1934 CB LEU B 34 -9.953 1.480 -9.438 1.00 0.12 C ATOM 1935 CG LEU B 34 -9.882 2.675 -8.479 1.00 0.10 C ATOM 1936 CD1 LEU B 34 -8.435 3.050 -8.180 1.00 0.09 C ATOM 1937 CD2 LEU B 34 -10.626 3.862 -9.067 1.00 0.14 C ATOM 0 H LEU B 34 -11.696 0.823 -7.551 1.00 0.06 H new ATOM 0 HA LEU B 34 -10.148 -0.655 -9.574 1.00 0.09 H new ATOM 0 HB2 LEU B 34 -9.032 1.452 -10.020 1.00 0.12 H new ATOM 0 HB3 LEU B 34 -10.768 1.652 -10.141 1.00 0.12 H new ATOM 0 HG LEU B 34 -10.357 2.390 -7.540 1.00 0.10 H new ATOM 0 HD11 LEU B 34 -8.413 3.900 -7.498 1.00 0.09 H new ATOM 0 HD12 LEU B 34 -7.927 2.202 -7.720 1.00 0.09 H new ATOM 0 HD13 LEU B 34 -7.929 3.316 -9.108 1.00 0.09 H new ATOM 0 HD21 LEU B 34 -10.569 4.705 -8.378 1.00 0.14 H new ATOM 0 HD22 LEU B 34 -10.173 4.140 -10.019 1.00 0.14 H new ATOM 0 HD23 LEU B 34 -11.670 3.594 -9.227 1.00 0.14 H new ATOM 1949 N VAL B 35 -9.294 -0.254 -6.531 1.00 0.05 N ATOM 1950 CA VAL B 35 -8.263 -0.561 -5.540 1.00 0.08 C ATOM 1951 C VAL B 35 -7.662 -1.939 -5.807 1.00 0.08 C ATOM 1952 O VAL B 35 -6.441 -2.106 -5.846 1.00 0.11 O ATOM 1953 CB VAL B 35 -8.811 -0.526 -4.095 1.00 0.09 C ATOM 1954 CG1 VAL B 35 -7.689 -0.735 -3.090 1.00 0.14 C ATOM 1955 CG2 VAL B 35 -9.526 0.784 -3.819 1.00 0.09 C ATOM 0 H VAL B 35 -10.219 -0.076 -6.141 1.00 0.05 H new ATOM 0 HA VAL B 35 -7.498 0.209 -5.635 1.00 0.08 H new ATOM 0 HB VAL B 35 -9.529 -1.339 -3.989 1.00 0.09 H new ATOM 0 HG11 VAL B 35 -8.096 -0.707 -2.079 1.00 0.14 H new ATOM 0 HG12 VAL B 35 -7.219 -1.703 -3.265 1.00 0.14 H new ATOM 0 HG13 VAL B 35 -6.946 0.055 -3.204 1.00 0.14 H new ATOM 0 HG21 VAL B 35 -9.903 0.784 -2.796 1.00 0.09 H new ATOM 0 HG22 VAL B 35 -8.830 1.613 -3.950 1.00 0.09 H new ATOM 0 HG23 VAL B 35 -10.359 0.897 -4.512 1.00 0.09 H new ATOM 1965 N ALA B 36 -8.536 -2.916 -6.013 1.00 0.07 N ATOM 1966 CA ALA B 36 -8.109 -4.278 -6.287 1.00 0.07 C ATOM 1967 C ALA B 36 -7.375 -4.356 -7.616 1.00 0.09 C ATOM 1968 O ALA B 36 -6.387 -5.076 -7.746 1.00 0.09 O ATOM 1969 CB ALA B 36 -9.306 -5.213 -6.285 1.00 0.08 C ATOM 0 H ALA B 36 -9.548 -2.788 -5.995 1.00 0.07 H new ATOM 0 HA ALA B 36 -7.421 -4.588 -5.501 1.00 0.07 H new ATOM 0 HB1 ALA B 36 -8.973 -6.230 -6.491 1.00 0.08 H new ATOM 0 HB2 ALA B 36 -9.791 -5.181 -5.309 1.00 0.08 H new ATOM 0 HB3 ALA B 36 -10.014 -4.900 -7.053 1.00 0.08 H new ATOM 1975 N ALA B 37 -7.853 -3.596 -8.592 1.00 0.12 N ATOM 1976 CA ALA B 37 -7.250 -3.572 -9.919 1.00 0.15 C ATOM 1977 C ALA B 37 -5.809 -3.072 -9.856 1.00 0.17 C ATOM 1978 O ALA B 37 -4.923 -3.618 -10.519 1.00 0.19 O ATOM 1979 CB ALA B 37 -8.073 -2.701 -10.855 1.00 0.21 C ATOM 0 H ALA B 37 -8.662 -2.984 -8.489 1.00 0.12 H new ATOM 0 HA ALA B 37 -7.237 -4.591 -10.306 1.00 0.15 H new ATOM 0 HB1 ALA B 37 -7.612 -2.692 -11.843 1.00 0.21 H new ATOM 0 HB2 ALA B 37 -9.084 -3.102 -10.930 1.00 0.21 H new ATOM 0 HB3 ALA B 37 -8.114 -1.684 -10.464 1.00 0.21 H new ATOM 1985 N PHE B 38 -5.582 -2.039 -9.049 1.00 0.16 N ATOM 1986 CA PHE B 38 -4.249 -1.462 -8.885 1.00 0.18 C ATOM 1987 C PHE B 38 -3.299 -2.479 -8.258 1.00 0.15 C ATOM 1988 O PHE B 38 -2.162 -2.643 -8.703 1.00 0.16 O ATOM 1989 CB PHE B 38 -4.321 -0.199 -8.015 1.00 0.23 C ATOM 1990 CG PHE B 38 -2.988 0.450 -7.778 1.00 0.20 C ATOM 1991 CD1 PHE B 38 -2.345 1.130 -8.798 1.00 0.37 C ATOM 1992 CD2 PHE B 38 -2.375 0.378 -6.537 1.00 0.28 C ATOM 1993 CE1 PHE B 38 -1.118 1.726 -8.587 1.00 0.36 C ATOM 1994 CE2 PHE B 38 -1.148 0.973 -6.319 1.00 0.27 C ATOM 1995 CZ PHE B 38 -0.517 1.647 -7.346 1.00 0.14 C ATOM 0 H PHE B 38 -6.307 -1.582 -8.496 1.00 0.16 H new ATOM 0 HA PHE B 38 -3.866 -1.191 -9.869 1.00 0.18 H new ATOM 0 HB2 PHE B 38 -4.986 0.522 -8.491 1.00 0.23 H new ATOM 0 HB3 PHE B 38 -4.766 -0.456 -7.054 1.00 0.23 H new ATOM 0 HD1 PHE B 38 -2.809 1.195 -9.771 1.00 0.37 H new ATOM 0 HD2 PHE B 38 -2.863 -0.150 -5.731 1.00 0.28 H new ATOM 0 HE1 PHE B 38 -0.628 2.254 -9.392 1.00 0.36 H new ATOM 0 HE2 PHE B 38 -0.682 0.911 -5.346 1.00 0.27 H new ATOM 0 HZ PHE B 38 0.444 2.111 -7.179 1.00 0.14 H new ATOM 2005 N VAL B 39 -3.775 -3.164 -7.226 1.00 0.14 N ATOM 2006 CA VAL B 39 -2.970 -4.166 -6.542 1.00 0.14 C ATOM 2007 C VAL B 39 -2.722 -5.364 -7.454 1.00 0.14 C ATOM 2008 O VAL B 39 -1.617 -5.911 -7.496 1.00 0.19 O ATOM 2009 CB VAL B 39 -3.639 -4.616 -5.227 1.00 0.15 C ATOM 2010 CG1 VAL B 39 -2.874 -5.762 -4.576 1.00 0.15 C ATOM 2011 CG2 VAL B 39 -3.745 -3.433 -4.277 1.00 0.22 C ATOM 0 H VAL B 39 -4.714 -3.044 -6.845 1.00 0.14 H new ATOM 0 HA VAL B 39 -2.010 -3.713 -6.292 1.00 0.14 H new ATOM 0 HB VAL B 39 -4.639 -4.983 -5.457 1.00 0.15 H new ATOM 0 HG11 VAL B 39 -3.373 -6.054 -3.652 1.00 0.15 H new ATOM 0 HG12 VAL B 39 -2.844 -6.613 -5.257 1.00 0.15 H new ATOM 0 HG13 VAL B 39 -1.857 -5.440 -4.353 1.00 0.15 H new ATOM 0 HG21 VAL B 39 -4.218 -3.753 -3.349 1.00 0.22 H new ATOM 0 HG22 VAL B 39 -2.748 -3.048 -4.062 1.00 0.22 H new ATOM 0 HG23 VAL B 39 -4.345 -2.649 -4.738 1.00 0.22 H new ATOM 2021 N ASP B 40 -3.754 -5.749 -8.197 1.00 0.14 N ATOM 2022 CA ASP B 40 -3.655 -6.860 -9.135 1.00 0.21 C ATOM 2023 C ASP B 40 -2.592 -6.555 -10.184 1.00 0.27 C ATOM 2024 O ASP B 40 -1.852 -7.441 -10.617 1.00 0.34 O ATOM 2025 CB ASP B 40 -5.004 -7.106 -9.813 1.00 0.21 C ATOM 2026 CG ASP B 40 -4.887 -7.988 -11.035 1.00 0.33 C ATOM 2027 OD1 ASP B 40 -4.894 -9.224 -10.882 1.00 0.47 O ATOM 2028 OD2 ASP B 40 -4.791 -7.443 -12.158 1.00 0.32 O1- ATOM 0 H ASP B 40 -4.672 -5.306 -8.167 1.00 0.14 H new ATOM 0 HA ASP B 40 -3.372 -7.759 -8.588 1.00 0.21 H new ATOM 0 HB2 ASP B 40 -5.686 -7.568 -9.100 1.00 0.21 H new ATOM 0 HB3 ASP B 40 -5.442 -6.150 -10.100 1.00 0.21 H new ATOM 2033 N ASP B 41 -2.521 -5.289 -10.574 1.00 0.28 N ATOM 2034 CA ASP B 41 -1.551 -4.833 -11.557 1.00 0.37 C ATOM 2035 C ASP B 41 -0.138 -4.982 -11.009 1.00 0.32 C ATOM 2036 O ASP B 41 0.771 -5.441 -11.702 1.00 0.32 O ATOM 2037 CB ASP B 41 -1.820 -3.368 -11.917 1.00 0.46 C ATOM 2038 CG ASP B 41 -1.038 -2.911 -13.129 1.00 0.78 C ATOM 2039 OD1 ASP B 41 -1.499 -3.161 -14.263 1.00 1.11 O1- ATOM 2040 OD2 ASP B 41 0.034 -2.298 -12.958 1.00 0.92 O ATOM 0 H ASP B 41 -3.132 -4.553 -10.219 1.00 0.28 H new ATOM 0 HA ASP B 41 -1.647 -5.444 -12.455 1.00 0.37 H new ATOM 0 HB2 ASP B 41 -2.885 -3.234 -12.106 1.00 0.46 H new ATOM 0 HB3 ASP B 41 -1.565 -2.736 -11.066 1.00 0.46 H new ATOM 2045 N LYS B 42 0.028 -4.616 -9.744 1.00 0.28 N ATOM 2046 CA LYS B 42 1.318 -4.695 -9.069 1.00 0.24 C ATOM 2047 C LYS B 42 1.831 -6.129 -8.998 1.00 0.20 C ATOM 2048 O LYS B 42 2.945 -6.418 -9.418 1.00 0.18 O ATOM 2049 CB LYS B 42 1.218 -4.109 -7.658 1.00 0.24 C ATOM 2050 CG LYS B 42 1.496 -2.617 -7.600 1.00 0.21 C ATOM 2051 CD LYS B 42 2.984 -2.333 -7.701 1.00 0.40 C ATOM 2052 CE LYS B 42 3.261 -0.967 -8.311 1.00 0.55 C ATOM 2053 NZ LYS B 42 4.676 -0.842 -8.743 1.00 0.48 N1+ ATOM 0 H LYS B 42 -0.726 -4.257 -9.158 1.00 0.28 H new ATOM 0 HA LYS B 42 2.029 -4.112 -9.654 1.00 0.24 H new ATOM 0 HB2 LYS B 42 0.220 -4.300 -7.264 1.00 0.24 H new ATOM 0 HB3 LYS B 42 1.922 -4.627 -7.007 1.00 0.24 H new ATOM 0 HG2 LYS B 42 0.971 -2.114 -8.412 1.00 0.21 H new ATOM 0 HG3 LYS B 42 1.107 -2.208 -6.668 1.00 0.21 H new ATOM 0 HD2 LYS B 42 3.432 -2.385 -6.708 1.00 0.40 H new ATOM 0 HD3 LYS B 42 3.460 -3.104 -8.306 1.00 0.40 H new ATOM 0 HE2 LYS B 42 2.603 -0.809 -9.165 1.00 0.55 H new ATOM 0 HE3 LYS B 42 3.031 -0.189 -7.583 1.00 0.55 H new ATOM 0 HZ1 LYS B 42 4.804 0.051 -9.260 1.00 0.48 H new ATOM 0 HZ2 LYS B 42 5.296 -0.851 -7.908 1.00 0.48 H new ATOM 0 HZ3 LYS B 42 4.921 -1.639 -9.364 1.00 0.48 H new ATOM 2067 N MET B 43 1.013 -7.033 -8.481 1.00 0.21 N ATOM 2068 CA MET B 43 1.419 -8.431 -8.358 1.00 0.19 C ATOM 2069 C MET B 43 1.657 -9.059 -9.724 1.00 0.17 C ATOM 2070 O MET B 43 2.460 -9.979 -9.858 1.00 0.18 O ATOM 2071 CB MET B 43 0.393 -9.243 -7.565 1.00 0.24 C ATOM 2072 CG MET B 43 -1.047 -9.015 -7.992 1.00 0.25 C ATOM 2073 SD MET B 43 -2.230 -9.787 -6.874 1.00 0.31 S ATOM 2074 CE MET B 43 -1.666 -9.159 -5.295 1.00 0.24 C ATOM 0 H MET B 43 0.073 -6.830 -8.142 1.00 0.21 H new ATOM 0 HA MET B 43 2.360 -8.447 -7.808 1.00 0.19 H new ATOM 0 HB2 MET B 43 0.627 -10.303 -7.668 1.00 0.24 H new ATOM 0 HB3 MET B 43 0.490 -8.996 -6.508 1.00 0.24 H new ATOM 0 HG2 MET B 43 -1.243 -7.944 -8.040 1.00 0.25 H new ATOM 0 HG3 MET B 43 -1.191 -9.410 -8.997 1.00 0.25 H new ATOM 0 HE1 MET B 43 -2.523 -8.991 -4.643 1.00 0.24 H new ATOM 0 HE2 MET B 43 -0.996 -9.884 -4.833 1.00 0.24 H new ATOM 0 HE3 MET B 43 -1.135 -8.219 -5.446 1.00 0.24 H new ATOM 2084 N HIS B 44 0.981 -8.544 -10.739 1.00 0.16 N ATOM 2085 CA HIS B 44 1.138 -9.069 -12.088 1.00 0.19 C ATOM 2086 C HIS B 44 2.498 -8.685 -12.665 1.00 0.25 C ATOM 2087 O HIS B 44 3.158 -9.508 -13.295 1.00 0.61 O ATOM 2088 CB HIS B 44 0.012 -8.584 -13.008 1.00 0.26 C ATOM 2089 CG HIS B 44 -1.046 -9.617 -13.236 1.00 0.47 C ATOM 2090 ND1 HIS B 44 -2.312 -9.540 -12.700 1.00 0.54 N ATOM 2091 CD2 HIS B 44 -1.013 -10.764 -13.953 1.00 1.09 C ATOM 2092 CE1 HIS B 44 -3.012 -10.596 -13.075 1.00 1.18 C ATOM 2093 NE2 HIS B 44 -2.243 -11.352 -13.835 1.00 1.53 N ATOM 0 H HIS B 44 0.323 -7.769 -10.657 1.00 0.16 H new ATOM 0 HA HIS B 44 1.081 -10.156 -12.027 1.00 0.19 H new ATOM 0 HB2 HIS B 44 -0.445 -7.694 -12.575 1.00 0.26 H new ATOM 0 HB3 HIS B 44 0.437 -8.289 -13.968 1.00 0.26 H new ATOM 0 HD1 HIS B 44 -2.656 -8.785 -12.106 1.00 0.54 H new ATOM 0 HD2 HIS B 44 -0.172 -11.145 -14.514 1.00 1.09 H new ATOM 0 HE1 HIS B 44 -4.037 -10.804 -12.806 1.00 1.18 H new ATOM 2102 N GLU B 45 2.930 -7.451 -12.424 1.00 0.14 N ATOM 2103 CA GLU B 45 4.215 -6.985 -12.939 1.00 0.11 C ATOM 2104 C GLU B 45 5.379 -7.584 -12.149 1.00 0.07 C ATOM 2105 O GLU B 45 6.487 -7.719 -12.667 1.00 0.03 O ATOM 2106 CB GLU B 45 4.291 -5.450 -12.926 1.00 0.10 C ATOM 2107 CG GLU B 45 4.421 -4.836 -11.534 1.00 0.07 C ATOM 2108 CD GLU B 45 4.455 -3.320 -11.560 1.00 0.22 C ATOM 2109 OE1 GLU B 45 3.936 -2.726 -12.528 1.00 0.49 O ATOM 2110 OE2 GLU B 45 5.004 -2.712 -10.616 1.00 0.43 O1- ATOM 0 H GLU B 45 2.414 -6.759 -11.880 1.00 0.14 H new ATOM 0 HA GLU B 45 4.296 -7.324 -13.972 1.00 0.11 H new ATOM 0 HB2 GLU B 45 5.143 -5.136 -13.529 1.00 0.10 H new ATOM 0 HB3 GLU B 45 3.397 -5.050 -13.404 1.00 0.10 H new ATOM 0 HG2 GLU B 45 3.585 -5.165 -10.917 1.00 0.07 H new ATOM 0 HG3 GLU B 45 5.331 -5.207 -11.062 1.00 0.07 H new ATOM 2117 N PHE B 46 5.123 -7.958 -10.903 1.00 0.11 N ATOM 2118 CA PHE B 46 6.159 -8.538 -10.060 1.00 0.10 C ATOM 2119 C PHE B 46 6.307 -10.033 -10.314 1.00 0.10 C ATOM 2120 O PHE B 46 7.299 -10.644 -9.911 1.00 0.11 O ATOM 2121 CB PHE B 46 5.867 -8.268 -8.585 1.00 0.11 C ATOM 2122 CG PHE B 46 6.386 -6.935 -8.128 1.00 0.13 C ATOM 2123 CD1 PHE B 46 7.748 -6.718 -7.999 1.00 0.14 C ATOM 2124 CD2 PHE B 46 5.515 -5.898 -7.841 1.00 0.16 C ATOM 2125 CE1 PHE B 46 8.231 -5.491 -7.589 1.00 0.14 C ATOM 2126 CE2 PHE B 46 5.993 -4.669 -7.432 1.00 0.17 C ATOM 2127 CZ PHE B 46 7.352 -4.466 -7.305 1.00 0.15 C ATOM 0 H PHE B 46 4.211 -7.871 -10.455 1.00 0.11 H new ATOM 0 HA PHE B 46 7.105 -8.061 -10.318 1.00 0.10 H new ATOM 0 HB2 PHE B 46 4.791 -8.311 -8.418 1.00 0.11 H new ATOM 0 HB3 PHE B 46 6.316 -9.055 -7.980 1.00 0.11 H new ATOM 0 HD1 PHE B 46 8.440 -7.517 -8.221 1.00 0.14 H new ATOM 0 HD2 PHE B 46 4.450 -6.052 -7.938 1.00 0.16 H new ATOM 0 HE1 PHE B 46 9.295 -5.334 -7.491 1.00 0.14 H new ATOM 0 HE2 PHE B 46 5.304 -3.867 -7.212 1.00 0.17 H new ATOM 0 HZ PHE B 46 7.727 -3.506 -6.984 1.00 0.15 H new ATOM 2137 N SER B 47 5.331 -10.621 -10.993 1.00 0.09 N ATOM 2138 CA SER B 47 5.372 -12.046 -11.303 1.00 0.10 C ATOM 2139 C SER B 47 6.544 -12.374 -12.227 1.00 0.09 C ATOM 2140 O SER B 47 7.177 -13.424 -12.101 1.00 0.13 O ATOM 2141 CB SER B 47 4.050 -12.494 -11.942 1.00 0.13 C ATOM 2142 OG SER B 47 2.956 -12.304 -11.055 1.00 0.49 O ATOM 0 H SER B 47 4.503 -10.136 -11.339 1.00 0.09 H new ATOM 0 HA SER B 47 5.513 -12.589 -10.369 1.00 0.10 H new ATOM 0 HB2 SER B 47 3.878 -11.931 -12.860 1.00 0.13 H new ATOM 0 HB3 SER B 47 4.116 -13.546 -12.220 1.00 0.13 H new ATOM 0 HG SER B 47 2.811 -11.345 -10.915 1.00 0.49 H new ATOM 2148 N GLU B 48 6.855 -11.453 -13.127 1.00 0.13 N ATOM 2149 CA GLU B 48 7.945 -11.648 -14.074 1.00 0.12 C ATOM 2150 C GLU B 48 9.297 -11.300 -13.453 1.00 0.09 C ATOM 2151 O GLU B 48 10.340 -11.488 -14.082 1.00 0.07 O ATOM 2152 CB GLU B 48 7.721 -10.800 -15.326 1.00 0.15 C ATOM 2153 CG GLU B 48 7.665 -9.308 -15.047 1.00 0.17 C ATOM 2154 CD GLU B 48 8.081 -8.475 -16.239 1.00 0.71 C ATOM 2155 OE1 GLU B 48 7.285 -8.357 -17.191 1.00 0.76 O1- ATOM 2156 OE2 GLU B 48 9.210 -7.939 -16.230 1.00 1.67 O ATOM 0 H GLU B 48 6.368 -10.562 -13.222 1.00 0.13 H new ATOM 0 HA GLU B 48 7.956 -12.703 -14.347 1.00 0.12 H new ATOM 0 HB2 GLU B 48 8.523 -10.998 -16.037 1.00 0.15 H new ATOM 0 HB3 GLU B 48 6.790 -11.108 -15.801 1.00 0.15 H new ATOM 0 HG2 GLU B 48 6.651 -9.035 -14.754 1.00 0.17 H new ATOM 0 HG3 GLU B 48 8.314 -9.076 -14.203 1.00 0.17 H new ATOM 2163 N LYS B 49 9.282 -10.792 -12.223 1.00 0.10 N ATOM 2164 CA LYS B 49 10.515 -10.415 -11.540 1.00 0.10 C ATOM 2165 C LYS B 49 11.153 -11.619 -10.854 1.00 0.15 C ATOM 2166 O LYS B 49 12.346 -11.599 -10.551 1.00 0.23 O ATOM 2167 CB LYS B 49 10.244 -9.311 -10.515 1.00 0.09 C ATOM 2168 CG LYS B 49 9.829 -7.979 -11.129 1.00 0.12 C ATOM 2169 CD LYS B 49 10.944 -7.368 -11.971 1.00 0.05 C ATOM 2170 CE LYS B 49 10.712 -7.581 -13.461 1.00 1.11 C ATOM 2171 NZ LYS B 49 11.845 -7.069 -14.274 1.00 1.14 N1+ ATOM 0 H LYS B 49 8.433 -10.633 -11.681 1.00 0.10 H new ATOM 0 HA LYS B 49 11.211 -10.039 -12.290 1.00 0.10 H new ATOM 0 HB2 LYS B 49 9.460 -9.645 -9.836 1.00 0.09 H new ATOM 0 HB3 LYS B 49 11.142 -9.158 -9.916 1.00 0.09 H new ATOM 0 HG2 LYS B 49 8.945 -8.125 -11.749 1.00 0.12 H new ATOM 0 HG3 LYS B 49 9.551 -7.285 -10.336 1.00 0.12 H new ATOM 0 HD2 LYS B 49 11.012 -6.300 -11.763 1.00 0.05 H new ATOM 0 HD3 LYS B 49 11.899 -7.810 -11.685 1.00 0.05 H new ATOM 0 HE2 LYS B 49 10.573 -8.644 -13.659 1.00 1.11 H new ATOM 0 HE3 LYS B 49 9.793 -7.078 -13.761 1.00 1.11 H new ATOM 0 HZ1 LYS B 49 11.650 -7.232 -15.282 1.00 1.14 H new ATOM 0 HZ2 LYS B 49 11.961 -6.050 -14.104 1.00 1.14 H new ATOM 0 HZ3 LYS B 49 12.718 -7.567 -14.005 1.00 1.14 H new ATOM 2185 N GLN B 50 10.347 -12.657 -10.616 1.00 0.20 N ATOM 2186 CA GLN B 50 10.816 -13.886 -9.971 1.00 0.30 C ATOM 2187 C GLN B 50 11.459 -13.593 -8.611 1.00 0.13 C ATOM 2188 O GLN B 50 12.683 -13.638 -8.471 1.00 0.29 O ATOM 2189 CB GLN B 50 11.813 -14.620 -10.880 1.00 0.53 C ATOM 2190 CG GLN B 50 12.192 -15.998 -10.374 1.00 1.05 C ATOM 2191 CD GLN B 50 13.623 -16.363 -10.709 1.00 1.30 C ATOM 2192 OE1 GLN B 50 13.894 -16.988 -11.731 1.00 1.37 O ATOM 2193 NE2 GLN B 50 14.548 -15.959 -9.857 1.00 1.60 N ATOM 0 H GLN B 50 9.357 -12.670 -10.863 1.00 0.20 H new ATOM 0 HA GLN B 50 9.949 -14.525 -9.803 1.00 0.30 H new ATOM 0 HB2 GLN B 50 11.383 -14.714 -11.877 1.00 0.53 H new ATOM 0 HB3 GLN B 50 12.716 -14.017 -10.978 1.00 0.53 H new ATOM 0 HG2 GLN B 50 12.054 -16.036 -9.293 1.00 1.05 H new ATOM 0 HG3 GLN B 50 11.520 -16.739 -10.808 1.00 1.05 H new ATOM 0 HE21 GLN B 50 14.279 -15.442 -9.020 1.00 1.60 H new ATOM 0 HE22 GLN B 50 15.531 -16.164 -10.036 1.00 1.60 H new ATOM 2202 N PRO B 51 10.642 -13.283 -7.587 1.00 0.16 N ATOM 2203 CA PRO B 51 11.158 -12.985 -6.253 1.00 0.27 C ATOM 2204 C PRO B 51 11.757 -14.219 -5.566 1.00 0.20 C ATOM 2205 O PRO B 51 12.965 -14.450 -5.629 1.00 0.19 O ATOM 2206 CB PRO B 51 9.941 -12.463 -5.483 1.00 0.48 C ATOM 2207 CG PRO B 51 8.736 -12.906 -6.249 1.00 0.51 C ATOM 2208 CD PRO B 51 9.172 -13.190 -7.665 1.00 0.41 C ATOM 0 HA PRO B 51 11.975 -12.265 -6.293 1.00 0.27 H new ATOM 0 HB2 PRO B 51 9.924 -12.860 -4.468 1.00 0.48 H new ATOM 0 HB3 PRO B 51 9.971 -11.377 -5.400 1.00 0.48 H new ATOM 0 HG2 PRO B 51 8.301 -13.797 -5.796 1.00 0.51 H new ATOM 0 HG3 PRO B 51 7.967 -12.133 -6.233 1.00 0.51 H new ATOM 0 HD2 PRO B 51 8.735 -14.117 -8.037 1.00 0.41 H new ATOM 0 HD3 PRO B 51 8.860 -12.396 -8.343 1.00 0.41 H new ATOM 2216 N MET B 52 10.912 -15.016 -4.923 1.00 0.17 N ATOM 2217 CA MET B 52 11.373 -16.210 -4.226 1.00 0.11 C ATOM 2218 C MET B 52 10.708 -17.456 -4.799 1.00 0.09 C ATOM 2219 O MET B 52 10.764 -18.525 -4.194 1.00 0.08 O ATOM 2220 CB MET B 52 11.061 -16.105 -2.727 1.00 0.12 C ATOM 2221 CG MET B 52 11.436 -14.765 -2.108 1.00 0.18 C ATOM 2222 SD MET B 52 13.196 -14.394 -2.244 1.00 0.26 S ATOM 2223 CE MET B 52 13.913 -15.755 -1.325 1.00 0.43 C ATOM 0 H MET B 52 9.906 -14.857 -4.870 1.00 0.17 H new ATOM 0 HA MET B 52 12.451 -16.289 -4.364 1.00 0.11 H new ATOM 0 HB2 MET B 52 9.996 -16.278 -2.575 1.00 0.12 H new ATOM 0 HB3 MET B 52 11.591 -16.898 -2.200 1.00 0.12 H new ATOM 0 HG2 MET B 52 10.865 -13.974 -2.594 1.00 0.18 H new ATOM 0 HG3 MET B 52 11.150 -14.764 -1.056 1.00 0.18 H new ATOM 0 HE1 MET B 52 14.937 -15.507 -1.047 1.00 0.43 H new ATOM 0 HE2 MET B 52 13.326 -15.935 -0.424 1.00 0.43 H new ATOM 0 HE3 MET B 52 13.913 -16.652 -1.944 1.00 0.43 H new ATOM 2233 N LEU B 53 10.081 -17.300 -5.968 1.00 0.10 N ATOM 2234 CA LEU B 53 9.379 -18.402 -6.632 1.00 0.11 C ATOM 2235 C LEU B 53 8.320 -18.997 -5.709 1.00 0.08 C ATOM 2236 O LEU B 53 8.255 -20.212 -5.505 1.00 0.10 O ATOM 2237 CB LEU B 53 10.371 -19.483 -7.079 1.00 0.19 C ATOM 2238 CG LEU B 53 11.251 -19.099 -8.270 1.00 0.25 C ATOM 2239 CD1 LEU B 53 12.452 -20.028 -8.372 1.00 0.62 C ATOM 2240 CD2 LEU B 53 10.445 -19.135 -9.559 1.00 1.07 C ATOM 0 H LEU B 53 10.045 -16.416 -6.476 1.00 0.10 H new ATOM 0 HA LEU B 53 8.881 -18.006 -7.517 1.00 0.11 H new ATOM 0 HB2 LEU B 53 11.015 -19.735 -6.237 1.00 0.19 H new ATOM 0 HB3 LEU B 53 9.813 -20.384 -7.334 1.00 0.19 H new ATOM 0 HG LEU B 53 11.614 -18.083 -8.114 1.00 0.25 H new ATOM 0 HD11 LEU B 53 13.065 -19.738 -9.225 1.00 0.62 H new ATOM 0 HD12 LEU B 53 13.044 -19.959 -7.460 1.00 0.62 H new ATOM 0 HD13 LEU B 53 12.108 -21.054 -8.504 1.00 0.62 H new ATOM 0 HD21 LEU B 53 11.086 -18.859 -10.397 1.00 1.07 H new ATOM 0 HD22 LEU B 53 10.055 -20.141 -9.716 1.00 1.07 H new ATOM 0 HD23 LEU B 53 9.616 -18.431 -9.489 1.00 1.07 H new ATOM 2252 N ASP B 54 7.491 -18.123 -5.155 1.00 0.09 N ATOM 2253 CA ASP B 54 6.435 -18.531 -4.240 1.00 0.12 C ATOM 2254 C ASP B 54 5.342 -17.469 -4.219 1.00 0.10 C ATOM 2255 O ASP B 54 5.643 -16.274 -4.234 1.00 0.18 O ATOM 2256 CB ASP B 54 7.021 -18.733 -2.841 1.00 0.19 C ATOM 2257 CG ASP B 54 6.014 -19.271 -1.849 1.00 0.24 C ATOM 2258 OD1 ASP B 54 5.259 -20.193 -2.207 1.00 0.28 O1- ATOM 2259 OD2 ASP B 54 5.980 -18.773 -0.707 1.00 0.26 O ATOM 0 H ASP B 54 7.531 -17.118 -5.326 1.00 0.09 H new ATOM 0 HA ASP B 54 5.999 -19.473 -4.574 1.00 0.12 H new ATOM 0 HB2 ASP B 54 7.865 -19.420 -2.903 1.00 0.19 H new ATOM 0 HB3 ASP B 54 7.410 -17.783 -2.476 1.00 0.19 H new ATOM 2264 N VAL B 55 4.084 -17.901 -4.185 1.00 0.11 N ATOM 2265 CA VAL B 55 2.949 -16.975 -4.193 1.00 0.12 C ATOM 2266 C VAL B 55 2.892 -16.098 -2.929 1.00 0.08 C ATOM 2267 O VAL B 55 2.815 -14.874 -3.049 1.00 0.04 O ATOM 2268 CB VAL B 55 1.600 -17.708 -4.402 1.00 0.17 C ATOM 2269 CG1 VAL B 55 0.440 -16.720 -4.423 1.00 0.08 C ATOM 2270 CG2 VAL B 55 1.634 -18.516 -5.693 1.00 0.32 C ATOM 0 H VAL B 55 3.822 -18.886 -4.152 1.00 0.11 H new ATOM 0 HA VAL B 55 3.113 -16.315 -5.045 1.00 0.12 H new ATOM 0 HB VAL B 55 1.448 -18.389 -3.565 1.00 0.17 H new ATOM 0 HG11 VAL B 55 -0.495 -17.260 -4.571 1.00 0.08 H new ATOM 0 HG12 VAL B 55 0.403 -16.183 -3.475 1.00 0.08 H new ATOM 0 HG13 VAL B 55 0.582 -16.010 -5.238 1.00 0.08 H new ATOM 0 HG21 VAL B 55 0.680 -19.026 -5.828 1.00 0.32 H new ATOM 0 HG22 VAL B 55 1.811 -17.848 -6.536 1.00 0.32 H new ATOM 0 HG23 VAL B 55 2.435 -19.253 -5.640 1.00 0.32 H new ATOM 2280 N PRO B 56 2.923 -16.679 -1.703 1.00 0.10 N ATOM 2281 CA PRO B 56 2.889 -15.883 -0.467 1.00 0.10 C ATOM 2282 C PRO B 56 3.986 -14.820 -0.430 1.00 0.07 C ATOM 2283 O PRO B 56 3.776 -13.704 0.049 1.00 0.14 O ATOM 2284 CB PRO B 56 3.119 -16.914 0.639 1.00 0.14 C ATOM 2285 CG PRO B 56 2.674 -18.207 0.058 1.00 0.15 C ATOM 2286 CD PRO B 56 2.957 -18.128 -1.416 1.00 0.14 C ATOM 0 HA PRO B 56 1.951 -15.336 -0.369 1.00 0.10 H new ATOM 0 HB2 PRO B 56 4.169 -16.953 0.930 1.00 0.14 H new ATOM 0 HB3 PRO B 56 2.549 -16.666 1.534 1.00 0.14 H new ATOM 0 HG2 PRO B 56 3.208 -19.041 0.512 1.00 0.15 H new ATOM 0 HG3 PRO B 56 1.612 -18.371 0.242 1.00 0.15 H new ATOM 0 HD2 PRO B 56 3.926 -18.562 -1.661 1.00 0.14 H new ATOM 0 HD3 PRO B 56 2.210 -18.669 -1.997 1.00 0.14 H new ATOM 2294 N LYS B 57 5.149 -15.176 -0.957 1.00 0.09 N ATOM 2295 CA LYS B 57 6.291 -14.268 -0.993 1.00 0.06 C ATOM 2296 C LYS B 57 6.073 -13.158 -2.019 1.00 0.07 C ATOM 2297 O LYS B 57 6.547 -12.037 -1.848 1.00 0.12 O ATOM 2298 CB LYS B 57 7.574 -15.037 -1.324 1.00 0.12 C ATOM 2299 CG LYS B 57 7.797 -16.277 -0.468 1.00 0.17 C ATOM 2300 CD LYS B 57 7.994 -15.939 0.999 1.00 0.47 C ATOM 2301 CE LYS B 57 6.940 -16.604 1.870 1.00 0.23 C ATOM 2302 NZ LYS B 57 7.218 -16.415 3.315 1.00 0.62 N1+ ATOM 0 H LYS B 57 5.329 -16.092 -1.368 1.00 0.09 H new ATOM 0 HA LYS B 57 6.391 -13.814 -0.007 1.00 0.06 H new ATOM 0 HB2 LYS B 57 7.546 -15.333 -2.373 1.00 0.12 H new ATOM 0 HB3 LYS B 57 8.426 -14.368 -1.204 1.00 0.12 H new ATOM 0 HG2 LYS B 57 6.943 -16.946 -0.573 1.00 0.17 H new ATOM 0 HG3 LYS B 57 8.671 -16.816 -0.834 1.00 0.17 H new ATOM 0 HD2 LYS B 57 8.986 -16.260 1.317 1.00 0.47 H new ATOM 0 HD3 LYS B 57 7.950 -14.858 1.134 1.00 0.47 H new ATOM 0 HE2 LYS B 57 5.959 -16.192 1.632 1.00 0.23 H new ATOM 0 HE3 LYS B 57 6.902 -17.670 1.644 1.00 0.23 H new ATOM 0 HZ1 LYS B 57 6.358 -16.619 3.863 1.00 0.62 H new ATOM 0 HZ2 LYS B 57 7.978 -17.061 3.610 1.00 0.62 H new ATOM 0 HZ3 LYS B 57 7.513 -15.433 3.486 1.00 0.62 H new ATOM 2316 N LEU B 58 5.355 -13.486 -3.084 1.00 0.07 N ATOM 2317 CA LEU B 58 5.055 -12.530 -4.142 1.00 0.11 C ATOM 2318 C LEU B 58 4.050 -11.498 -3.639 1.00 0.11 C ATOM 2319 O LEU B 58 4.147 -10.308 -3.945 1.00 0.14 O ATOM 2320 CB LEU B 58 4.492 -13.277 -5.360 1.00 0.14 C ATOM 2321 CG LEU B 58 4.346 -12.464 -6.652 1.00 0.16 C ATOM 2322 CD1 LEU B 58 4.462 -13.384 -7.853 1.00 0.17 C ATOM 2323 CD2 LEU B 58 3.014 -11.732 -6.689 1.00 0.27 C ATOM 0 H LEU B 58 4.966 -14.416 -3.239 1.00 0.07 H new ATOM 0 HA LEU B 58 5.968 -12.011 -4.435 1.00 0.11 H new ATOM 0 HB2 LEU B 58 5.137 -14.131 -5.565 1.00 0.14 H new ATOM 0 HB3 LEU B 58 3.512 -13.674 -5.094 1.00 0.14 H new ATOM 0 HG LEU B 58 5.144 -11.722 -6.682 1.00 0.16 H new ATOM 0 HD11 LEU B 58 4.358 -12.802 -8.769 1.00 0.17 H new ATOM 0 HD12 LEU B 58 5.436 -13.874 -7.843 1.00 0.17 H new ATOM 0 HD13 LEU B 58 3.676 -14.138 -7.811 1.00 0.17 H new ATOM 0 HD21 LEU B 58 2.937 -11.164 -7.616 1.00 0.27 H new ATOM 0 HD22 LEU B 58 2.200 -12.455 -6.638 1.00 0.27 H new ATOM 0 HD23 LEU B 58 2.949 -11.052 -5.840 1.00 0.27 H new ATOM 2335 N ALA B 59 3.098 -11.971 -2.848 1.00 0.08 N ATOM 2336 CA ALA B 59 2.053 -11.123 -2.294 1.00 0.09 C ATOM 2337 C ALA B 59 2.620 -10.022 -1.398 1.00 0.14 C ATOM 2338 O ALA B 59 2.359 -8.840 -1.618 1.00 0.31 O ATOM 2339 CB ALA B 59 1.062 -11.978 -1.526 1.00 0.07 C ATOM 0 H ALA B 59 3.028 -12.951 -2.573 1.00 0.08 H new ATOM 0 HA ALA B 59 1.546 -10.628 -3.122 1.00 0.09 H new ATOM 0 HB1 ALA B 59 0.279 -11.343 -1.111 1.00 0.07 H new ATOM 0 HB2 ALA B 59 0.616 -12.711 -2.198 1.00 0.07 H new ATOM 0 HB3 ALA B 59 1.578 -12.494 -0.716 1.00 0.07 H new ATOM 2345 N VAL B 60 3.410 -10.410 -0.405 1.00 0.02 N ATOM 2346 CA VAL B 60 3.998 -9.440 0.528 1.00 0.05 C ATOM 2347 C VAL B 60 4.941 -8.468 -0.185 1.00 0.08 C ATOM 2348 O VAL B 60 5.156 -7.343 0.276 1.00 0.12 O ATOM 2349 CB VAL B 60 4.770 -10.119 1.686 1.00 0.07 C ATOM 2350 CG1 VAL B 60 3.830 -10.898 2.594 1.00 0.07 C ATOM 2351 CG2 VAL B 60 5.871 -11.021 1.157 1.00 0.13 C ATOM 0 H VAL B 60 3.661 -11.381 -0.220 1.00 0.02 H new ATOM 0 HA VAL B 60 3.154 -8.892 0.946 1.00 0.05 H new ATOM 0 HB VAL B 60 5.233 -9.329 2.277 1.00 0.07 H new ATOM 0 HG11 VAL B 60 4.402 -11.363 3.397 1.00 0.07 H new ATOM 0 HG12 VAL B 60 3.091 -10.220 3.021 1.00 0.07 H new ATOM 0 HG13 VAL B 60 3.323 -11.670 2.016 1.00 0.07 H new ATOM 0 HG21 VAL B 60 6.395 -11.484 1.993 1.00 0.13 H new ATOM 0 HG22 VAL B 60 5.435 -11.797 0.528 1.00 0.13 H new ATOM 0 HG23 VAL B 60 6.574 -10.431 0.570 1.00 0.13 H new ATOM 2361 N LEU B 61 5.485 -8.898 -1.319 1.00 0.08 N ATOM 2362 CA LEU B 61 6.406 -8.076 -2.089 1.00 0.11 C ATOM 2363 C LEU B 61 5.713 -6.826 -2.621 1.00 0.11 C ATOM 2364 O LEU B 61 6.327 -5.768 -2.737 1.00 0.13 O ATOM 2365 CB LEU B 61 6.991 -8.887 -3.248 1.00 0.13 C ATOM 2366 CG LEU B 61 8.249 -8.299 -3.886 1.00 0.17 C ATOM 2367 CD1 LEU B 61 9.459 -8.522 -2.989 1.00 0.17 C ATOM 2368 CD2 LEU B 61 8.480 -8.907 -5.261 1.00 0.17 C ATOM 0 H LEU B 61 5.301 -9.816 -1.725 1.00 0.08 H new ATOM 0 HA LEU B 61 7.214 -7.761 -1.428 1.00 0.11 H new ATOM 0 HB2 LEU B 61 7.221 -9.890 -2.889 1.00 0.13 H new ATOM 0 HB3 LEU B 61 6.227 -8.992 -4.019 1.00 0.13 H new ATOM 0 HG LEU B 61 8.107 -7.225 -4.004 1.00 0.17 H new ATOM 0 HD11 LEU B 61 10.345 -8.096 -3.460 1.00 0.17 H new ATOM 0 HD12 LEU B 61 9.292 -8.038 -2.026 1.00 0.17 H new ATOM 0 HD13 LEU B 61 9.607 -9.591 -2.837 1.00 0.17 H new ATOM 0 HD21 LEU B 61 9.380 -8.478 -5.702 1.00 0.17 H new ATOM 0 HD22 LEU B 61 8.602 -9.986 -5.166 1.00 0.17 H new ATOM 0 HD23 LEU B 61 7.624 -8.693 -5.902 1.00 0.17 H new ATOM 2380 N THR B 62 4.426 -6.942 -2.927 1.00 0.10 N ATOM 2381 CA THR B 62 3.676 -5.807 -3.443 1.00 0.09 C ATOM 2382 C THR B 62 3.293 -4.844 -2.327 1.00 0.09 C ATOM 2383 O THR B 62 3.400 -3.630 -2.485 1.00 0.08 O ATOM 2384 CB THR B 62 2.403 -6.251 -4.192 1.00 0.10 C ATOM 2385 OG1 THR B 62 1.534 -6.992 -3.324 1.00 0.18 O ATOM 2386 CG2 THR B 62 2.755 -7.098 -5.402 1.00 0.12 C ATOM 0 H THR B 62 3.886 -7.802 -2.828 1.00 0.10 H new ATOM 0 HA THR B 62 4.333 -5.297 -4.147 1.00 0.09 H new ATOM 0 HB THR B 62 1.887 -5.352 -4.528 1.00 0.10 H new ATOM 0 HG1 THR B 62 2.058 -7.651 -2.821 1.00 0.18 H new ATOM 0 HG21 THR B 62 1.841 -7.399 -5.914 1.00 0.12 H new ATOM 0 HG22 THR B 62 3.378 -6.518 -6.083 1.00 0.12 H new ATOM 0 HG23 THR B 62 3.299 -7.986 -5.079 1.00 0.12 H new ATOM 2394 N ALA B 63 2.875 -5.397 -1.193 1.00 0.10 N ATOM 2395 CA ALA B 63 2.464 -4.595 -0.046 1.00 0.11 C ATOM 2396 C ALA B 63 3.584 -3.676 0.429 1.00 0.11 C ATOM 2397 O ALA B 63 3.353 -2.505 0.732 1.00 0.12 O ATOM 2398 CB ALA B 63 2.010 -5.500 1.090 1.00 0.10 C ATOM 0 H ALA B 63 2.812 -6.404 -1.043 1.00 0.10 H new ATOM 0 HA ALA B 63 1.631 -3.967 -0.361 1.00 0.11 H new ATOM 0 HB1 ALA B 63 1.705 -4.891 1.941 1.00 0.10 H new ATOM 0 HB2 ALA B 63 1.167 -6.106 0.758 1.00 0.10 H new ATOM 0 HB3 ALA B 63 2.832 -6.152 1.386 1.00 0.10 H new ATOM 2404 N VAL B 64 4.797 -4.205 0.473 1.00 0.09 N ATOM 2405 CA VAL B 64 5.944 -3.437 0.925 1.00 0.10 C ATOM 2406 C VAL B 64 6.399 -2.423 -0.127 1.00 0.12 C ATOM 2407 O VAL B 64 7.031 -1.417 0.201 1.00 0.12 O ATOM 2408 CB VAL B 64 7.111 -4.372 1.312 1.00 0.10 C ATOM 2409 CG1 VAL B 64 7.792 -4.944 0.077 1.00 0.12 C ATOM 2410 CG2 VAL B 64 8.106 -3.653 2.207 1.00 0.11 C ATOM 0 H VAL B 64 5.011 -5.164 0.201 1.00 0.09 H new ATOM 0 HA VAL B 64 5.633 -2.880 1.809 1.00 0.10 H new ATOM 0 HB VAL B 64 6.698 -5.209 1.875 1.00 0.10 H new ATOM 0 HG11 VAL B 64 8.609 -5.598 0.382 1.00 0.12 H new ATOM 0 HG12 VAL B 64 7.069 -5.514 -0.506 1.00 0.12 H new ATOM 0 HG13 VAL B 64 8.187 -4.130 -0.531 1.00 0.12 H new ATOM 0 HG21 VAL B 64 8.919 -4.332 2.466 1.00 0.11 H new ATOM 0 HG22 VAL B 64 8.510 -2.788 1.681 1.00 0.11 H new ATOM 0 HG23 VAL B 64 7.605 -3.323 3.117 1.00 0.11 H new ATOM 2420 N GLN B 65 6.061 -2.673 -1.386 1.00 0.15 N ATOM 2421 CA GLN B 65 6.446 -1.765 -2.457 1.00 0.19 C ATOM 2422 C GLN B 65 5.420 -0.643 -2.589 1.00 0.13 C ATOM 2423 O GLN B 65 5.769 0.510 -2.843 1.00 0.16 O ATOM 2424 CB GLN B 65 6.601 -2.523 -3.777 1.00 0.34 C ATOM 2425 CG GLN B 65 7.560 -1.846 -4.756 1.00 0.57 C ATOM 2426 CD GLN B 65 6.851 -0.940 -5.744 1.00 0.79 C ATOM 2427 OE1 GLN B 65 5.732 -1.219 -6.171 1.00 0.98 O ATOM 2428 NE2 GLN B 65 7.493 0.157 -6.104 1.00 0.80 N ATOM 0 H GLN B 65 5.527 -3.488 -1.688 1.00 0.15 H new ATOM 0 HA GLN B 65 7.411 -1.322 -2.210 1.00 0.19 H new ATOM 0 HB2 GLN B 65 6.958 -3.532 -3.569 1.00 0.34 H new ATOM 0 HB3 GLN B 65 5.623 -2.622 -4.248 1.00 0.34 H new ATOM 0 HG2 GLN B 65 8.291 -1.263 -4.196 1.00 0.57 H new ATOM 0 HG3 GLN B 65 8.112 -2.610 -5.303 1.00 0.57 H new ATOM 0 HE21 GLN B 65 8.420 0.352 -5.727 1.00 0.80 H new ATOM 0 HE22 GLN B 65 7.061 0.809 -6.759 1.00 0.80 H new ATOM 2437 N ILE B 66 4.150 -0.989 -2.411 1.00 0.15 N ATOM 2438 CA ILE B 66 3.072 -0.012 -2.482 1.00 0.16 C ATOM 2439 C ILE B 66 3.187 0.969 -1.320 1.00 0.11 C ATOM 2440 O ILE B 66 2.987 2.175 -1.480 1.00 0.27 O ATOM 2441 CB ILE B 66 1.685 -0.702 -2.450 1.00 0.27 C ATOM 2442 CG1 ILE B 66 1.455 -1.485 -3.748 1.00 0.64 C ATOM 2443 CG2 ILE B 66 0.575 0.321 -2.237 1.00 0.89 C ATOM 2444 CD1 ILE B 66 0.221 -2.363 -3.721 1.00 1.38 C ATOM 0 H ILE B 66 3.842 -1.942 -2.216 1.00 0.15 H new ATOM 0 HA ILE B 66 3.162 0.525 -3.426 1.00 0.16 H new ATOM 0 HB ILE B 66 1.665 -1.399 -1.612 1.00 0.27 H new ATOM 0 HG12 ILE B 66 1.371 -0.781 -4.576 1.00 0.64 H new ATOM 0 HG13 ILE B 66 2.328 -2.107 -3.946 1.00 0.64 H new ATOM 0 HG21 ILE B 66 -0.389 -0.187 -2.218 1.00 0.89 H new ATOM 0 HG22 ILE B 66 0.732 0.836 -1.290 1.00 0.89 H new ATOM 0 HG23 ILE B 66 0.587 1.046 -3.051 1.00 0.89 H new ATOM 0 HD11 ILE B 66 0.125 -2.885 -4.673 1.00 1.38 H new ATOM 0 HD12 ILE B 66 0.310 -3.092 -2.915 1.00 1.38 H new ATOM 0 HD13 ILE B 66 -0.662 -1.745 -3.555 1.00 1.38 H new ATOM 2456 N ALA B 67 3.540 0.440 -0.155 1.00 0.16 N ATOM 2457 CA ALA B 67 3.682 1.248 1.047 1.00 0.13 C ATOM 2458 C ALA B 67 4.750 2.323 0.881 1.00 0.06 C ATOM 2459 O ALA B 67 4.512 3.486 1.192 1.00 0.09 O ATOM 2460 CB ALA B 67 4.011 0.362 2.240 1.00 0.16 C ATOM 0 H ALA B 67 3.734 -0.552 -0.018 1.00 0.16 H new ATOM 0 HA ALA B 67 2.730 1.750 1.222 1.00 0.13 H new ATOM 0 HB1 ALA B 67 4.115 0.978 3.133 1.00 0.16 H new ATOM 0 HB2 ALA B 67 3.209 -0.361 2.389 1.00 0.16 H new ATOM 0 HB3 ALA B 67 4.946 -0.167 2.054 1.00 0.16 H new ATOM 2466 N SER B 68 5.912 1.942 0.364 1.00 0.08 N ATOM 2467 CA SER B 68 7.015 2.880 0.186 1.00 0.06 C ATOM 2468 C SER B 68 6.668 3.976 -0.823 1.00 0.16 C ATOM 2469 O SER B 68 6.890 5.161 -0.565 1.00 0.21 O ATOM 2470 CB SER B 68 8.268 2.125 -0.253 1.00 0.06 C ATOM 2471 OG SER B 68 7.922 0.911 -0.896 1.00 0.28 O ATOM 0 H SER B 68 6.115 0.990 0.060 1.00 0.08 H new ATOM 0 HA SER B 68 7.203 3.368 1.142 1.00 0.06 H new ATOM 0 HB2 SER B 68 8.855 2.746 -0.930 1.00 0.06 H new ATOM 0 HB3 SER B 68 8.896 1.917 0.614 1.00 0.06 H new ATOM 0 HG SER B 68 7.776 0.214 -0.223 1.00 0.28 H new ATOM 2477 N GLU B 69 6.095 3.581 -1.957 1.00 0.26 N ATOM 2478 CA GLU B 69 5.731 4.535 -3.002 1.00 0.35 C ATOM 2479 C GLU B 69 4.650 5.507 -2.538 1.00 0.24 C ATOM 2480 O GLU B 69 4.536 6.618 -3.058 1.00 0.18 O ATOM 2481 CB GLU B 69 5.269 3.800 -4.260 1.00 0.52 C ATOM 2482 CG GLU B 69 6.415 3.361 -5.153 1.00 0.44 C ATOM 2483 CD GLU B 69 7.217 4.531 -5.691 1.00 1.20 C ATOM 2484 OE1 GLU B 69 6.780 5.151 -6.688 1.00 1.60 O1- ATOM 2485 OE2 GLU B 69 8.290 4.736 -5.130 1.00 1.71 O ATOM 0 H GLU B 69 5.873 2.610 -2.176 1.00 0.26 H new ATOM 0 HA GLU B 69 6.623 5.117 -3.232 1.00 0.35 H new ATOM 0 HB2 GLU B 69 4.689 2.925 -3.969 1.00 0.52 H new ATOM 0 HB3 GLU B 69 4.603 4.449 -4.828 1.00 0.52 H new ATOM 0 HG2 GLU B 69 7.075 2.700 -4.592 1.00 0.44 H new ATOM 0 HG3 GLU B 69 6.019 2.782 -5.988 1.00 0.44 H new ATOM 2492 N TYR B 70 3.859 5.097 -1.559 1.00 0.23 N ATOM 2493 CA TYR B 70 2.800 5.951 -1.043 1.00 0.15 C ATOM 2494 C TYR B 70 3.264 6.737 0.180 1.00 0.08 C ATOM 2495 O TYR B 70 2.740 7.814 0.469 1.00 0.12 O ATOM 2496 CB TYR B 70 1.561 5.120 -0.718 1.00 0.24 C ATOM 2497 CG TYR B 70 0.636 4.944 -1.906 1.00 0.32 C ATOM 2498 CD1 TYR B 70 0.856 3.940 -2.839 1.00 0.75 C ATOM 2499 CD2 TYR B 70 -0.450 5.785 -2.094 1.00 0.57 C ATOM 2500 CE1 TYR B 70 0.020 3.778 -3.926 1.00 0.85 C ATOM 2501 CE2 TYR B 70 -1.292 5.630 -3.178 1.00 0.56 C ATOM 2502 CZ TYR B 70 -1.052 4.625 -4.091 1.00 0.50 C ATOM 2503 OH TYR B 70 -1.884 4.470 -5.175 1.00 0.59 O ATOM 0 H TYR B 70 3.929 4.185 -1.108 1.00 0.23 H new ATOM 0 HA TYR B 70 2.541 6.674 -1.817 1.00 0.15 H new ATOM 0 HB2 TYR B 70 1.872 4.139 -0.359 1.00 0.24 H new ATOM 0 HB3 TYR B 70 1.013 5.598 0.094 1.00 0.24 H new ATOM 0 HD1 TYR B 70 1.696 3.273 -2.712 1.00 0.75 H new ATOM 0 HD2 TYR B 70 -0.641 6.574 -1.382 1.00 0.57 H new ATOM 0 HE1 TYR B 70 0.206 2.991 -4.642 1.00 0.85 H new ATOM 0 HE2 TYR B 70 -2.134 6.293 -3.310 1.00 0.56 H new ATOM 0 HH TYR B 70 -1.905 3.526 -5.439 1.00 0.59 H new ATOM 2513 N LEU B 71 4.252 6.205 0.892 1.00 0.09 N ATOM 2514 CA LEU B 71 4.789 6.874 2.074 1.00 0.17 C ATOM 2515 C LEU B 71 5.491 8.166 1.675 1.00 0.22 C ATOM 2516 O LEU B 71 5.398 9.179 2.371 1.00 0.26 O ATOM 2517 CB LEU B 71 5.763 5.955 2.826 1.00 0.24 C ATOM 2518 CG LEU B 71 5.111 5.009 3.855 1.00 0.27 C ATOM 2519 CD1 LEU B 71 6.015 3.826 4.180 1.00 0.32 C ATOM 2520 CD2 LEU B 71 4.759 5.757 5.133 1.00 0.32 C ATOM 0 H LEU B 71 4.697 5.314 0.673 1.00 0.09 H new ATOM 0 HA LEU B 71 3.958 7.112 2.738 1.00 0.17 H new ATOM 0 HB2 LEU B 71 6.307 5.354 2.097 1.00 0.24 H new ATOM 0 HB3 LEU B 71 6.498 6.574 3.340 1.00 0.24 H new ATOM 0 HG LEU B 71 4.195 4.626 3.405 1.00 0.27 H new ATOM 0 HD11 LEU B 71 5.523 3.181 4.908 1.00 0.32 H new ATOM 0 HD12 LEU B 71 6.214 3.260 3.270 1.00 0.32 H new ATOM 0 HD13 LEU B 71 6.955 4.190 4.594 1.00 0.32 H new ATOM 0 HD21 LEU B 71 4.301 5.069 5.843 1.00 0.32 H new ATOM 0 HD22 LEU B 71 5.665 6.178 5.569 1.00 0.32 H new ATOM 0 HD23 LEU B 71 4.059 6.561 4.903 1.00 0.32 H new ATOM 2532 N LYS B 72 6.175 8.129 0.540 1.00 0.23 N ATOM 2533 CA LYS B 72 6.885 9.299 0.038 1.00 0.27 C ATOM 2534 C LYS B 72 5.900 10.348 -0.482 1.00 0.24 C ATOM 2535 O LYS B 72 6.253 11.516 -0.652 1.00 0.29 O ATOM 2536 CB LYS B 72 7.865 8.894 -1.069 1.00 0.31 C ATOM 2537 CG LYS B 72 7.185 8.366 -2.322 1.00 0.38 C ATOM 2538 CD LYS B 72 7.995 7.268 -2.991 1.00 0.40 C ATOM 2539 CE LYS B 72 9.303 7.785 -3.559 1.00 0.52 C ATOM 2540 NZ LYS B 72 9.788 6.935 -4.676 1.00 0.58 N1+ ATOM 0 H LYS B 72 6.254 7.302 -0.051 1.00 0.23 H new ATOM 0 HA LYS B 72 7.449 9.737 0.862 1.00 0.27 H new ATOM 0 HB2 LYS B 72 8.477 9.756 -1.334 1.00 0.31 H new ATOM 0 HB3 LYS B 72 8.540 8.130 -0.683 1.00 0.31 H new ATOM 0 HG2 LYS B 72 6.198 7.982 -2.064 1.00 0.38 H new ATOM 0 HG3 LYS B 72 7.035 9.185 -3.025 1.00 0.38 H new ATOM 0 HD2 LYS B 72 8.202 6.479 -2.267 1.00 0.40 H new ATOM 0 HD3 LYS B 72 7.405 6.820 -3.791 1.00 0.40 H new ATOM 0 HE2 LYS B 72 9.168 8.808 -3.911 1.00 0.52 H new ATOM 0 HE3 LYS B 72 10.056 7.816 -2.771 1.00 0.52 H new ATOM 0 HZ1 LYS B 72 10.594 6.363 -4.352 1.00 0.58 H new ATOM 0 HZ2 LYS B 72 9.022 6.306 -4.992 1.00 0.58 H new ATOM 0 HZ3 LYS B 72 10.088 7.540 -5.467 1.00 0.58 H new ATOM 2554 N LEU B 73 4.662 9.925 -0.721 1.00 0.17 N ATOM 2555 CA LEU B 73 3.627 10.823 -1.216 1.00 0.14 C ATOM 2556 C LEU B 73 3.167 11.752 -0.098 1.00 0.11 C ATOM 2557 O LEU B 73 3.122 12.970 -0.270 1.00 0.09 O ATOM 2558 CB LEU B 73 2.443 10.011 -1.777 1.00 0.13 C ATOM 2559 CG LEU B 73 1.526 10.713 -2.799 1.00 0.12 C ATOM 2560 CD1 LEU B 73 0.631 11.743 -2.123 1.00 0.08 C ATOM 2561 CD2 LEU B 73 2.332 11.360 -3.917 1.00 0.15 C ATOM 0 H LEU B 73 4.352 8.964 -0.579 1.00 0.17 H new ATOM 0 HA LEU B 73 4.036 11.431 -2.023 1.00 0.14 H new ATOM 0 HB2 LEU B 73 2.842 9.111 -2.244 1.00 0.13 H new ATOM 0 HB3 LEU B 73 1.827 9.688 -0.937 1.00 0.13 H new ATOM 0 HG LEU B 73 0.890 9.946 -3.241 1.00 0.12 H new ATOM 0 HD11 LEU B 73 -0.003 12.220 -2.870 1.00 0.08 H new ATOM 0 HD12 LEU B 73 0.006 11.249 -1.379 1.00 0.08 H new ATOM 0 HD13 LEU B 73 1.248 12.498 -1.636 1.00 0.08 H new ATOM 0 HD21 LEU B 73 1.655 11.846 -4.620 1.00 0.15 H new ATOM 0 HD22 LEU B 73 3.010 12.102 -3.495 1.00 0.15 H new ATOM 0 HD23 LEU B 73 2.909 10.596 -4.438 1.00 0.15 H new ATOM 2573 N LYS B 74 2.847 11.178 1.055 1.00 0.11 N ATOM 2574 CA LYS B 74 2.403 11.979 2.189 1.00 0.10 C ATOM 2575 C LYS B 74 3.570 12.771 2.767 1.00 0.13 C ATOM 2576 O LYS B 74 3.380 13.835 3.361 1.00 0.13 O ATOM 2577 CB LYS B 74 1.749 11.111 3.271 1.00 0.12 C ATOM 2578 CG LYS B 74 2.606 9.951 3.759 1.00 0.20 C ATOM 2579 CD LYS B 74 2.358 9.656 5.234 1.00 0.28 C ATOM 2580 CE LYS B 74 0.941 9.158 5.494 1.00 0.32 C ATOM 2581 NZ LYS B 74 0.599 9.188 6.941 1.00 0.43 N1+ ATOM 0 H LYS B 74 2.886 10.174 1.229 1.00 0.11 H new ATOM 0 HA LYS B 74 1.648 12.678 1.829 1.00 0.10 H new ATOM 0 HB2 LYS B 74 1.498 11.743 4.123 1.00 0.12 H new ATOM 0 HB3 LYS B 74 0.811 10.714 2.882 1.00 0.12 H new ATOM 0 HG2 LYS B 74 2.388 9.062 3.167 1.00 0.20 H new ATOM 0 HG3 LYS B 74 3.659 10.186 3.606 1.00 0.20 H new ATOM 0 HD2 LYS B 74 3.072 8.908 5.578 1.00 0.28 H new ATOM 0 HD3 LYS B 74 2.536 10.559 5.818 1.00 0.28 H new ATOM 0 HE2 LYS B 74 0.232 9.774 4.941 1.00 0.32 H new ATOM 0 HE3 LYS B 74 0.839 8.140 5.118 1.00 0.32 H new ATOM 0 HZ1 LYS B 74 -0.372 8.842 7.075 1.00 0.43 H new ATOM 0 HZ2 LYS B 74 1.259 8.580 7.466 1.00 0.43 H new ATOM 0 HZ3 LYS B 74 0.671 10.163 7.295 1.00 0.43 H new ATOM 2595 N GLU B 75 4.778 12.252 2.565 1.00 0.17 N ATOM 2596 CA GLU B 75 5.987 12.900 3.049 1.00 0.20 C ATOM 2597 C GLU B 75 6.179 14.256 2.371 1.00 0.16 C ATOM 2598 O GLU B 75 6.386 15.269 3.042 1.00 0.20 O ATOM 2599 CB GLU B 75 7.202 12.002 2.798 1.00 0.27 C ATOM 2600 CG GLU B 75 8.485 12.496 3.452 1.00 0.36 C ATOM 2601 CD GLU B 75 8.413 12.489 4.967 1.00 0.45 C ATOM 2602 OE1 GLU B 75 8.070 11.440 5.545 1.00 0.55 O ATOM 2603 OE2 GLU B 75 8.709 13.532 5.587 1.00 0.44 O1- ATOM 0 H GLU B 75 4.943 11.378 2.065 1.00 0.17 H new ATOM 0 HA GLU B 75 5.887 13.065 4.122 1.00 0.20 H new ATOM 0 HB2 GLU B 75 6.982 11.000 3.166 1.00 0.27 H new ATOM 0 HB3 GLU B 75 7.363 11.919 1.723 1.00 0.27 H new ATOM 0 HG2 GLU B 75 9.316 11.869 3.129 1.00 0.36 H new ATOM 0 HG3 GLU B 75 8.697 13.508 3.108 1.00 0.36 H new ATOM 2610 N GLU B 76 6.095 14.276 1.041 1.00 0.13 N ATOM 2611 CA GLU B 76 6.263 15.521 0.296 1.00 0.11 C ATOM 2612 C GLU B 76 5.062 16.436 0.520 1.00 0.08 C ATOM 2613 O GLU B 76 5.192 17.661 0.492 1.00 0.08 O ATOM 2614 CB GLU B 76 6.471 15.252 -1.203 1.00 0.17 C ATOM 2615 CG GLU B 76 5.220 14.804 -1.945 1.00 0.18 C ATOM 2616 CD GLU B 76 5.385 14.870 -3.448 1.00 0.21 C ATOM 2617 OE1 GLU B 76 6.156 14.063 -4.006 1.00 0.34 O1- ATOM 2618 OE2 GLU B 76 4.742 15.732 -4.087 1.00 0.20 O ATOM 0 H GLU B 76 5.914 13.455 0.464 1.00 0.13 H new ATOM 0 HA GLU B 76 7.158 16.021 0.668 1.00 0.11 H new ATOM 0 HB2 GLU B 76 6.851 16.159 -1.672 1.00 0.17 H new ATOM 0 HB3 GLU B 76 7.240 14.488 -1.319 1.00 0.17 H new ATOM 0 HG2 GLU B 76 4.975 13.783 -1.654 1.00 0.18 H new ATOM 0 HG3 GLU B 76 4.380 15.431 -1.647 1.00 0.18 H new ATOM 2625 N TYR B 77 3.903 15.826 0.767 1.00 0.07 N ATOM 2626 CA TYR B 77 2.674 16.572 1.007 1.00 0.11 C ATOM 2627 C TYR B 77 2.854 17.510 2.192 1.00 0.13 C ATOM 2628 O TYR B 77 2.640 18.717 2.080 1.00 0.22 O ATOM 2629 CB TYR B 77 1.509 15.612 1.265 1.00 0.13 C ATOM 2630 CG TYR B 77 0.239 16.292 1.732 1.00 0.15 C ATOM 2631 CD1 TYR B 77 -0.327 17.327 1.001 1.00 0.12 C ATOM 2632 CD2 TYR B 77 -0.390 15.903 2.908 1.00 0.22 C ATOM 2633 CE1 TYR B 77 -1.483 17.953 1.424 1.00 0.14 C ATOM 2634 CE2 TYR B 77 -1.549 16.524 3.336 1.00 0.25 C ATOM 2635 CZ TYR B 77 -2.089 17.549 2.591 1.00 0.20 C ATOM 2636 OH TYR B 77 -3.242 18.167 3.012 1.00 0.23 O ATOM 0 H TYR B 77 3.792 14.813 0.806 1.00 0.07 H new ATOM 0 HA TYR B 77 2.447 17.164 0.120 1.00 0.11 H new ATOM 0 HB2 TYR B 77 1.297 15.060 0.349 1.00 0.13 H new ATOM 0 HB3 TYR B 77 1.814 14.881 2.014 1.00 0.13 H new ATOM 0 HD1 TYR B 77 0.145 17.649 0.085 1.00 0.12 H new ATOM 0 HD2 TYR B 77 0.033 15.103 3.497 1.00 0.22 H new ATOM 0 HE1 TYR B 77 -1.909 18.756 0.841 1.00 0.14 H new ATOM 0 HE2 TYR B 77 -2.029 16.207 4.250 1.00 0.25 H new ATOM 0 HH TYR B 77 -4.008 17.799 2.523 1.00 0.23 H new ATOM 2646 N GLN B 78 3.268 16.948 3.319 1.00 0.22 N ATOM 2647 CA GLN B 78 3.480 17.736 4.523 1.00 0.30 C ATOM 2648 C GLN B 78 4.626 18.719 4.319 1.00 0.37 C ATOM 2649 O GLN B 78 4.560 19.861 4.765 1.00 0.84 O ATOM 2650 CB GLN B 78 3.779 16.824 5.720 1.00 0.28 C ATOM 2651 CG GLN B 78 2.642 15.882 6.082 1.00 0.17 C ATOM 2652 CD GLN B 78 1.346 16.607 6.386 1.00 0.26 C ATOM 2653 OE1 GLN B 78 1.344 17.762 6.817 1.00 0.53 O ATOM 2654 NE2 GLN B 78 0.232 15.927 6.181 1.00 0.24 N ATOM 0 H GLN B 78 3.463 15.952 3.424 1.00 0.22 H new ATOM 0 HA GLN B 78 2.567 18.295 4.730 1.00 0.30 H new ATOM 0 HB2 GLN B 78 4.669 16.234 5.500 1.00 0.28 H new ATOM 0 HB3 GLN B 78 4.013 17.444 6.586 1.00 0.28 H new ATOM 0 HG2 GLN B 78 2.478 15.186 5.259 1.00 0.17 H new ATOM 0 HG3 GLN B 78 2.932 15.288 6.949 1.00 0.17 H new ATOM 0 HE21 GLN B 78 0.275 14.973 5.823 1.00 0.24 H new ATOM 0 HE22 GLN B 78 -0.672 16.356 6.381 1.00 0.24 H new ATOM 2663 N ARG B 79 5.652 18.273 3.603 1.00 0.28 N ATOM 2664 CA ARG B 79 6.837 19.087 3.340 1.00 0.30 C ATOM 2665 C ARG B 79 6.499 20.397 2.617 1.00 0.27 C ATOM 2666 O ARG B 79 6.979 21.464 3.002 1.00 0.23 O ATOM 2667 CB ARG B 79 7.839 18.291 2.506 1.00 0.34 C ATOM 2668 CG ARG B 79 9.201 18.957 2.366 1.00 0.63 C ATOM 2669 CD ARG B 79 10.114 18.629 3.539 1.00 0.85 C ATOM 2670 NE ARG B 79 9.883 19.497 4.691 1.00 1.45 N ATOM 2671 CZ ARG B 79 10.653 20.540 5.013 1.00 1.28 C ATOM 2672 NH1 ARG B 79 11.639 20.921 4.205 1.00 0.73 N1+ ATOM 2673 NH2 ARG B 79 10.417 21.209 6.133 1.00 2.05 N ATOM 0 H ARG B 79 5.688 17.341 3.189 1.00 0.28 H new ATOM 0 HA ARG B 79 7.270 19.346 4.306 1.00 0.30 H new ATOM 0 HB2 ARG B 79 7.972 17.308 2.958 1.00 0.34 H new ATOM 0 HB3 ARG B 79 7.421 18.130 1.512 1.00 0.34 H new ATOM 0 HG2 ARG B 79 9.671 18.632 1.438 1.00 0.63 H new ATOM 0 HG3 ARG B 79 9.072 20.037 2.297 1.00 0.63 H new ATOM 0 HD2 ARG B 79 9.961 17.591 3.834 1.00 0.85 H new ATOM 0 HD3 ARG B 79 11.153 18.720 3.222 1.00 0.85 H new ATOM 0 HE ARG B 79 9.082 19.293 5.288 1.00 1.45 H new ATOM 0 HH11 ARG B 79 11.810 20.416 3.335 1.00 0.73 H new ATOM 0 HH12 ARG B 79 12.224 21.718 4.455 1.00 0.73 H new ATOM 0 HH21 ARG B 79 9.651 20.926 6.744 1.00 2.05 H new ATOM 0 HH22 ARG B 79 11.002 22.006 6.384 1.00 2.05 H new ATOM 2687 N LEU B 80 5.680 20.317 1.572 1.00 0.30 N ATOM 2688 CA LEU B 80 5.321 21.511 0.808 1.00 0.28 C ATOM 2689 C LEU B 80 4.271 22.348 1.536 1.00 0.23 C ATOM 2690 O LEU B 80 4.239 23.570 1.397 1.00 0.28 O ATOM 2691 CB LEU B 80 4.836 21.137 -0.600 1.00 0.31 C ATOM 2692 CG LEU B 80 3.415 20.557 -0.693 1.00 0.48 C ATOM 2693 CD1 LEU B 80 2.436 21.589 -1.241 1.00 0.79 C ATOM 2694 CD2 LEU B 80 3.392 19.304 -1.558 1.00 0.44 C ATOM 0 H LEU B 80 5.257 19.452 1.237 1.00 0.30 H new ATOM 0 HA LEU B 80 6.220 22.119 0.711 1.00 0.28 H new ATOM 0 HB2 LEU B 80 4.885 22.027 -1.228 1.00 0.31 H new ATOM 0 HB3 LEU B 80 5.531 20.411 -1.021 1.00 0.31 H new ATOM 0 HG LEU B 80 3.104 20.288 0.316 1.00 0.48 H new ATOM 0 HD11 LEU B 80 1.439 21.152 -1.296 1.00 0.79 H new ATOM 0 HD12 LEU B 80 2.416 22.457 -0.582 1.00 0.79 H new ATOM 0 HD13 LEU B 80 2.752 21.897 -2.237 1.00 0.79 H new ATOM 0 HD21 LEU B 80 2.375 18.914 -1.607 1.00 0.44 H new ATOM 0 HD22 LEU B 80 3.735 19.549 -2.563 1.00 0.44 H new ATOM 0 HD23 LEU B 80 4.049 18.550 -1.124 1.00 0.44 H new ATOM 2706 N ARG B 81 3.420 21.695 2.316 1.00 0.20 N ATOM 2707 CA ARG B 81 2.378 22.402 3.049 1.00 0.15 C ATOM 2708 C ARG B 81 2.969 23.155 4.235 1.00 0.15 C ATOM 2709 O ARG B 81 2.525 24.255 4.565 1.00 0.43 O ATOM 2710 CB ARG B 81 1.294 21.433 3.524 1.00 0.22 C ATOM 2711 CG ARG B 81 0.457 20.846 2.395 1.00 0.32 C ATOM 2712 CD ARG B 81 -0.523 21.859 1.816 1.00 0.65 C ATOM 2713 NE ARG B 81 0.132 22.879 0.990 1.00 1.05 N ATOM 2714 CZ ARG B 81 -0.270 24.152 0.921 1.00 1.70 C ATOM 2715 NH1 ARG B 81 -1.286 24.573 1.668 1.00 2.04 N1+ ATOM 2716 NH2 ARG B 81 0.347 25.008 0.112 1.00 2.12 N ATOM 0 H ARG B 81 3.430 20.685 2.457 1.00 0.20 H new ATOM 0 HA ARG B 81 1.922 23.124 2.372 1.00 0.15 H new ATOM 0 HB2 ARG B 81 1.764 20.619 4.076 1.00 0.22 H new ATOM 0 HB3 ARG B 81 0.635 21.952 4.220 1.00 0.22 H new ATOM 0 HG2 ARG B 81 1.117 20.489 1.604 1.00 0.32 H new ATOM 0 HG3 ARG B 81 -0.094 19.981 2.765 1.00 0.32 H new ATOM 0 HD2 ARG B 81 -1.267 21.335 1.216 1.00 0.65 H new ATOM 0 HD3 ARG B 81 -1.057 22.347 2.631 1.00 0.65 H new ATOM 0 HE ARG B 81 0.942 22.601 0.436 1.00 1.05 H new ATOM 0 HH11 ARG B 81 -1.761 23.924 2.296 1.00 2.04 H new ATOM 0 HH12 ARG B 81 -1.591 25.545 1.613 1.00 2.04 H new ATOM 0 HH21 ARG B 81 1.131 24.694 -0.460 1.00 2.12 H new ATOM 0 HH22 ARG B 81 0.036 25.978 0.063 1.00 2.12 H new