USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1198 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 63 MET CE :methyl -168:sc= -0.0357 (180deg=-0.251) USER MOD Set 1.2: B 66 LYS NZ :NH3+ 156:sc= 0.676 (180deg=0.327) USER MOD Set 2.1: A 63 MET CE :methyl -168:sc= -0.0433 (180deg=-0.255) USER MOD Set 2.2: A 66 LYS NZ :NH3+ 156:sc= 0.685 (180deg=0.333) USER MOD Set 3.1: A 13 CYS SG : rot 92:sc= -6.5! USER MOD Set 3.2: B 13 CYS SG : rot 93:sc= -6.58! USER MOD Single : A 8 THR OG1 : rot -147:sc= -0.355 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 58:sc= 1.24 USER MOD Single : A 22 GLN : amide:sc= -0.0589 K(o=-0.059,f=-1.9) USER MOD Single : A 23 LYS NZ :NH3+ 165:sc= 1.27 (180deg=1.14) USER MOD Single : A 24 TYR OH : rot 130:sc= -0.399 USER MOD Single : A 33 THR OG1 : rot 9:sc= 0.685 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0141 USER MOD Single : A 36 LYS NZ :NH3+ -170:sc= 1.33 (180deg=0.834) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 155:sc= -1.55 (180deg=-2.29) USER MOD Single : A 44 ASN : amide:sc= 0.984 K(o=0.98,f=-0.25) USER MOD Single : A 45 THR OG1 : rot -92:sc= -0.896! USER MOD Single : A 51 THR OG1 : rot 76:sc= -0.129 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -167:sc= -0.333 (180deg=-0.696) USER MOD Single : A 65 LYS NZ :NH3+ -170:sc= -0.0126 (180deg=-0.124) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 23:sc= 0.47 USER MOD Single : A 74 GLN : amide:sc= -1.02 K(o=-1,f=0) USER MOD Single : A 78 SER OG : rot 89:sc= 1.34 USER MOD Single : A 82 ASN : amide:sc= 1.12 K(o=1.1,f=-0.036) USER MOD Single : A 89 MET CE :methyl 179:sc= -2.21 (180deg=-2.31) USER MOD Single : A 91 CYS SG : rot 72:sc= 1.17 USER MOD Single : A 92 HIS : no HD1:sc= -0.28 K(o=-0.28,f=-1.1) USER MOD Single : A 94 SER OG : rot 83:sc= 1.27 USER MOD Single : B 8 THR OG1 : rot -137:sc= -0.384! USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 SER OG : rot 89:sc= 1.24 USER MOD Single : B 22 GLN : amide:sc= -0.0633 K(o=-0.063,f=-1.9) USER MOD Single : B 23 LYS NZ :NH3+ -173:sc= 1.32 (180deg=1.08) USER MOD Single : B 24 TYR OH : rot 130:sc= -0.468 USER MOD Single : B 33 THR OG1 : rot 14:sc= 0.723 USER MOD Single : B 35 SER OG : rot 180:sc= -0.0112 USER MOD Single : B 36 LYS NZ :NH3+ -169:sc= 1.32 (180deg=0.798) USER MOD Single : B 37 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 43 MET CE :methyl 150:sc= -1.55 (180deg=-2.22) USER MOD Single : B 44 ASN : amide:sc= 1.05 K(o=1,f=-0.25) USER MOD Single : B 45 THR OG1 : rot -91:sc= -0.775! USER MOD Single : B 51 THR OG1 : rot 77:sc= -0.133 USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 MET CE :methyl -165:sc= -0.328 (180deg=-0.675) USER MOD Single : B 65 LYS NZ :NH3+ -171:sc=-0.00951 (180deg=-0.131) USER MOD Single : B 69 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 71 SER OG : rot 18:sc= 0.483 USER MOD Single : B 74 GLN : amide:sc= -0.992 K(o=-0.99,f=0.0092) USER MOD Single : B 78 SER OG : rot 91:sc= 1.43 USER MOD Single : B 82 ASN : amide:sc= 1.17 K(o=1.2,f=-0.05) USER MOD Single : B 89 MET CE :methyl 176:sc= -2.27 (180deg=-2.35) USER MOD Single : B 91 CYS SG : rot 71:sc= 1.15 USER MOD Single : B 92 HIS : no HD1:sc= -0.31 K(o=-0.31,f=-0.97) USER MOD Single : B 94 SER OG : rot 67:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 93 N PRO A 7 -5.893 9.263 11.800 1.00 0.69 N ATOM 94 CA PRO A 7 -5.960 8.365 10.644 1.00 0.54 C ATOM 95 C PRO A 7 -6.596 7.027 10.978 1.00 0.44 C ATOM 96 O PRO A 7 -6.670 6.627 12.144 1.00 0.56 O ATOM 97 CB PRO A 7 -4.487 8.161 10.318 1.00 0.61 C ATOM 98 CG PRO A 7 -3.870 8.127 11.658 1.00 0.75 C ATOM 99 CD PRO A 7 -4.547 9.242 12.412 1.00 0.82 C ATOM 0 HA PRO A 7 -6.565 8.774 9.835 1.00 0.54 H new ATOM 0 HB2 PRO A 7 -4.317 7.235 9.768 1.00 0.61 H new ATOM 0 HB3 PRO A 7 -4.089 8.972 9.708 1.00 0.61 H new ATOM 0 HG2 PRO A 7 -4.029 7.165 12.144 1.00 0.75 H new ATOM 0 HG3 PRO A 7 -2.792 8.282 11.603 1.00 0.75 H new ATOM 0 HD2 PRO A 7 -4.590 9.042 13.483 1.00 0.82 H new ATOM 0 HD3 PRO A 7 -4.028 10.192 12.286 1.00 0.82 H new ATOM 107 N THR A 8 -7.045 6.340 9.952 1.00 0.34 N ATOM 108 CA THR A 8 -7.577 5.007 10.110 1.00 0.27 C ATOM 109 C THR A 8 -6.496 3.986 9.807 1.00 0.28 C ATOM 110 O THR A 8 -5.343 4.358 9.591 1.00 0.35 O ATOM 111 CB THR A 8 -8.761 4.780 9.173 1.00 0.28 C ATOM 112 OG1 THR A 8 -8.291 4.711 7.823 1.00 0.36 O ATOM 113 CG2 THR A 8 -9.762 5.910 9.320 1.00 0.32 C ATOM 0 H THR A 8 -7.052 6.686 8.993 1.00 0.34 H new ATOM 0 HA THR A 8 -7.918 4.894 11.139 1.00 0.27 H new ATOM 0 HB THR A 8 -9.253 3.842 9.431 1.00 0.28 H new ATOM 0 HG1 THR A 8 -8.971 5.079 7.221 1.00 0.36 H new ATOM 0 HG21 THR A 8 -10.603 5.740 8.648 1.00 0.32 H new ATOM 0 HG22 THR A 8 -10.121 5.947 10.349 1.00 0.32 H new ATOM 0 HG23 THR A 8 -9.282 6.856 9.069 1.00 0.32 H new ATOM 121 N GLU A 9 -6.874 2.714 9.769 1.00 0.28 N ATOM 122 CA GLU A 9 -5.925 1.635 9.516 1.00 0.33 C ATOM 123 C GLU A 9 -5.144 1.892 8.228 1.00 0.36 C ATOM 124 O GLU A 9 -3.924 1.858 8.229 1.00 0.52 O ATOM 125 CB GLU A 9 -6.652 0.292 9.429 1.00 0.40 C ATOM 126 CG GLU A 9 -5.710 -0.901 9.431 1.00 0.56 C ATOM 127 CD GLU A 9 -5.018 -1.081 10.764 1.00 1.73 C ATOM 128 OE1 GLU A 9 -5.697 -1.443 11.748 1.00 2.47 O ATOM 129 OE2 GLU A 9 -3.796 -0.866 10.834 1.00 2.48 O ATOM 0 H GLU A 9 -7.835 2.403 9.911 1.00 0.28 H new ATOM 0 HA GLU A 9 -5.221 1.601 10.348 1.00 0.33 H new ATOM 0 HB2 GLU A 9 -7.341 0.204 10.269 1.00 0.40 H new ATOM 0 HB3 GLU A 9 -7.253 0.270 8.520 1.00 0.40 H new ATOM 0 HG2 GLU A 9 -6.270 -1.804 9.190 1.00 0.56 H new ATOM 0 HG3 GLU A 9 -4.961 -0.772 8.649 1.00 0.56 H new ATOM 136 N THR A 10 -5.851 2.199 7.150 1.00 0.26 N ATOM 137 CA THR A 10 -5.216 2.438 5.860 1.00 0.27 C ATOM 138 C THR A 10 -4.409 3.719 5.886 1.00 0.27 C ATOM 139 O THR A 10 -3.281 3.745 5.417 1.00 0.31 O ATOM 140 CB THR A 10 -6.244 2.482 4.700 1.00 0.27 C ATOM 141 OG1 THR A 10 -5.764 3.311 3.638 1.00 0.40 O ATOM 142 CG2 THR A 10 -7.597 2.990 5.174 1.00 0.25 C ATOM 0 H THR A 10 -6.867 2.289 7.142 1.00 0.26 H new ATOM 0 HA THR A 10 -4.547 1.597 5.678 1.00 0.27 H new ATOM 0 HB THR A 10 -6.370 1.463 4.335 1.00 0.27 H new ATOM 0 HG1 THR A 10 -6.423 3.328 2.913 1.00 0.40 H new ATOM 0 HG21 THR A 10 -8.293 3.008 4.335 1.00 0.25 H new ATOM 0 HG22 THR A 10 -7.982 2.329 5.951 1.00 0.25 H new ATOM 0 HG23 THR A 10 -7.487 3.997 5.576 1.00 0.25 H new ATOM 150 N GLU A 11 -4.962 4.762 6.477 1.00 0.25 N ATOM 151 CA GLU A 11 -4.311 6.061 6.474 1.00 0.27 C ATOM 152 C GLU A 11 -3.004 6.018 7.240 1.00 0.30 C ATOM 153 O GLU A 11 -1.978 6.506 6.770 1.00 0.32 O ATOM 154 CB GLU A 11 -5.233 7.106 7.068 1.00 0.29 C ATOM 155 CG GLU A 11 -6.605 7.069 6.448 1.00 0.41 C ATOM 156 CD GLU A 11 -7.480 8.227 6.873 1.00 1.11 C ATOM 157 OE1 GLU A 11 -7.561 8.490 8.092 1.00 1.85 O ATOM 158 OE2 GLU A 11 -8.094 8.870 5.999 1.00 1.71 O ATOM 0 H GLU A 11 -5.858 4.737 6.964 1.00 0.25 H new ATOM 0 HA GLU A 11 -4.088 6.328 5.441 1.00 0.27 H new ATOM 0 HB2 GLU A 11 -5.317 6.946 8.143 1.00 0.29 H new ATOM 0 HB3 GLU A 11 -4.798 8.095 6.926 1.00 0.29 H new ATOM 0 HG2 GLU A 11 -6.507 7.075 5.362 1.00 0.41 H new ATOM 0 HG3 GLU A 11 -7.094 6.133 6.719 1.00 0.41 H new ATOM 165 N ARG A 12 -3.040 5.406 8.412 1.00 0.35 N ATOM 166 CA ARG A 12 -1.842 5.275 9.223 1.00 0.42 C ATOM 167 C ARG A 12 -0.861 4.347 8.533 1.00 0.43 C ATOM 168 O ARG A 12 0.347 4.541 8.601 1.00 0.47 O ATOM 169 CB ARG A 12 -2.174 4.784 10.643 1.00 0.48 C ATOM 170 CG ARG A 12 -2.793 3.392 10.736 1.00 0.49 C ATOM 171 CD ARG A 12 -1.764 2.287 10.564 1.00 0.56 C ATOM 172 NE ARG A 12 -2.146 1.080 11.285 1.00 1.08 N ATOM 173 CZ ARG A 12 -1.738 0.782 12.515 1.00 1.35 C ATOM 174 NH1 ARG A 12 -0.889 1.578 13.155 1.00 1.86 N ATOM 175 NH2 ARG A 12 -2.184 -0.323 13.096 1.00 1.95 N ATOM 0 H ARG A 12 -3.879 4.995 8.821 1.00 0.35 H new ATOM 0 HA ARG A 12 -1.382 6.258 9.329 1.00 0.42 H new ATOM 0 HB2 ARG A 12 -1.258 4.794 11.234 1.00 0.48 H new ATOM 0 HB3 ARG A 12 -2.858 5.497 11.103 1.00 0.48 H new ATOM 0 HG2 ARG A 12 -3.284 3.280 11.703 1.00 0.49 H new ATOM 0 HG3 ARG A 12 -3.564 3.289 9.973 1.00 0.49 H new ATOM 0 HD2 ARG A 12 -1.650 2.058 9.505 1.00 0.56 H new ATOM 0 HD3 ARG A 12 -0.794 2.633 10.922 1.00 0.56 H new ATOM 0 HE ARG A 12 -2.767 0.421 10.816 1.00 1.08 H new ATOM 0 HH11 ARG A 12 -0.545 2.425 12.703 1.00 1.86 H new ATOM 0 HH12 ARG A 12 -0.581 1.342 14.098 1.00 1.86 H new ATOM 0 HH21 ARG A 12 -2.833 -0.934 12.600 1.00 1.95 H new ATOM 0 HH22 ARG A 12 -1.878 -0.562 14.039 1.00 1.95 H new ATOM 189 N CYS A 13 -1.406 3.354 7.845 1.00 0.42 N ATOM 190 CA CYS A 13 -0.604 2.373 7.141 1.00 0.44 C ATOM 191 C CYS A 13 0.069 3.031 5.955 1.00 0.30 C ATOM 192 O CYS A 13 1.232 2.773 5.652 1.00 0.29 O ATOM 193 CB CYS A 13 -1.493 1.211 6.706 1.00 0.57 C ATOM 194 SG CYS A 13 -1.775 -0.012 8.003 1.00 2.16 S ATOM 0 H CYS A 13 -2.412 3.209 7.761 1.00 0.42 H new ATOM 0 HA CYS A 13 0.173 1.979 7.796 1.00 0.44 H new ATOM 0 HB2 CYS A 13 -2.454 1.605 6.375 1.00 0.57 H new ATOM 0 HB3 CYS A 13 -1.037 0.718 5.847 1.00 0.57 H new ATOM 0 HG CYS A 13 -2.852 0.296 8.663 1.00 2.16 H new ATOM 200 N ILE A 14 -0.673 3.915 5.323 1.00 0.26 N ATOM 201 CA ILE A 14 -0.174 4.727 4.241 1.00 0.24 C ATOM 202 C ILE A 14 1.013 5.572 4.696 1.00 0.21 C ATOM 203 O ILE A 14 2.038 5.649 4.013 1.00 0.23 O ATOM 204 CB ILE A 14 -1.297 5.643 3.716 1.00 0.24 C ATOM 205 CG1 ILE A 14 -2.246 4.867 2.802 1.00 0.25 C ATOM 206 CG2 ILE A 14 -0.731 6.858 3.004 1.00 0.27 C ATOM 207 CD1 ILE A 14 -3.492 5.644 2.466 1.00 0.27 C ATOM 0 H ILE A 14 -1.652 4.090 5.551 1.00 0.26 H new ATOM 0 HA ILE A 14 0.162 4.067 3.441 1.00 0.24 H new ATOM 0 HB ILE A 14 -1.866 5.999 4.575 1.00 0.24 H new ATOM 0 HG12 ILE A 14 -1.725 4.607 1.881 1.00 0.25 H new ATOM 0 HG13 ILE A 14 -2.525 3.931 3.285 1.00 0.25 H new ATOM 0 HG21 ILE A 14 -1.549 7.484 2.646 1.00 0.27 H new ATOM 0 HG22 ILE A 14 -0.113 7.430 3.696 1.00 0.27 H new ATOM 0 HG23 ILE A 14 -0.124 6.534 2.158 1.00 0.27 H new ATOM 0 HD11 ILE A 14 -4.129 5.046 1.815 1.00 0.27 H new ATOM 0 HD12 ILE A 14 -4.031 5.881 3.383 1.00 0.27 H new ATOM 0 HD13 ILE A 14 -3.218 6.568 1.956 1.00 0.27 H new ATOM 219 N GLU A 15 0.884 6.172 5.869 1.00 0.24 N ATOM 220 CA GLU A 15 1.919 7.036 6.398 1.00 0.28 C ATOM 221 C GLU A 15 3.070 6.207 6.879 1.00 0.30 C ATOM 222 O GLU A 15 4.197 6.673 6.958 1.00 0.34 O ATOM 223 CB GLU A 15 1.403 7.855 7.560 1.00 0.32 C ATOM 224 CG GLU A 15 0.232 8.750 7.201 1.00 0.33 C ATOM 225 CD GLU A 15 -0.193 9.629 8.357 1.00 0.38 C ATOM 226 OE1 GLU A 15 0.386 10.727 8.513 1.00 1.06 O ATOM 227 OE2 GLU A 15 -1.094 9.230 9.122 1.00 1.26 O ATOM 0 H GLU A 15 0.068 6.074 6.473 1.00 0.24 H new ATOM 0 HA GLU A 15 2.236 7.707 5.600 1.00 0.28 H new ATOM 0 HB2 GLU A 15 1.102 7.182 8.363 1.00 0.32 H new ATOM 0 HB3 GLU A 15 2.214 8.471 7.948 1.00 0.32 H new ATOM 0 HG2 GLU A 15 0.503 9.377 6.351 1.00 0.33 H new ATOM 0 HG3 GLU A 15 -0.611 8.134 6.887 1.00 0.33 H new ATOM 234 N SER A 16 2.766 4.979 7.221 1.00 0.31 N ATOM 235 CA SER A 16 3.773 4.069 7.670 1.00 0.38 C ATOM 236 C SER A 16 4.597 3.583 6.487 1.00 0.29 C ATOM 237 O SER A 16 5.794 3.353 6.614 1.00 0.28 O ATOM 238 CB SER A 16 3.135 2.919 8.433 1.00 0.54 C ATOM 239 OG SER A 16 2.452 3.397 9.582 1.00 0.97 O ATOM 0 H SER A 16 1.823 4.592 7.194 1.00 0.31 H new ATOM 0 HA SER A 16 4.450 4.579 8.355 1.00 0.38 H new ATOM 0 HB2 SER A 16 2.438 2.388 7.784 1.00 0.54 H new ATOM 0 HB3 SER A 16 3.902 2.204 8.731 1.00 0.54 H new ATOM 0 HG SER A 16 1.772 4.048 9.311 1.00 0.97 H new ATOM 245 N LEU A 17 3.959 3.459 5.327 1.00 0.27 N ATOM 246 CA LEU A 17 4.691 3.206 4.094 1.00 0.28 C ATOM 247 C LEU A 17 5.564 4.406 3.796 1.00 0.27 C ATOM 248 O LEU A 17 6.691 4.260 3.351 1.00 0.32 O ATOM 249 CB LEU A 17 3.746 2.958 2.922 1.00 0.29 C ATOM 250 CG LEU A 17 2.679 1.904 3.176 1.00 0.33 C ATOM 251 CD1 LEU A 17 1.699 1.841 2.015 1.00 0.33 C ATOM 252 CD2 LEU A 17 3.309 0.538 3.427 1.00 0.46 C ATOM 0 H LEU A 17 2.947 3.529 5.217 1.00 0.27 H new ATOM 0 HA LEU A 17 5.298 2.310 4.226 1.00 0.28 H new ATOM 0 HB2 LEU A 17 3.256 3.897 2.664 1.00 0.29 H new ATOM 0 HB3 LEU A 17 4.335 2.657 2.056 1.00 0.29 H new ATOM 0 HG LEU A 17 2.129 2.190 4.072 1.00 0.33 H new ATOM 0 HD11 LEU A 17 0.944 1.081 2.217 1.00 0.33 H new ATOM 0 HD12 LEU A 17 1.215 2.810 1.894 1.00 0.33 H new ATOM 0 HD13 LEU A 17 2.234 1.587 1.100 1.00 0.33 H new ATOM 0 HD21 LEU A 17 2.524 -0.197 3.606 1.00 0.46 H new ATOM 0 HD22 LEU A 17 3.893 0.241 2.556 1.00 0.46 H new ATOM 0 HD23 LEU A 17 3.961 0.593 4.299 1.00 0.46 H new ATOM 264 N ILE A 18 5.024 5.594 4.052 1.00 0.27 N ATOM 265 CA ILE A 18 5.797 6.825 3.961 1.00 0.30 C ATOM 266 C ILE A 18 6.997 6.765 4.899 1.00 0.28 C ATOM 267 O ILE A 18 8.113 7.086 4.510 1.00 0.30 O ATOM 268 CB ILE A 18 4.944 8.073 4.306 1.00 0.36 C ATOM 269 CG1 ILE A 18 3.872 8.291 3.238 1.00 0.63 C ATOM 270 CG2 ILE A 18 5.830 9.310 4.444 1.00 0.47 C ATOM 271 CD1 ILE A 18 2.959 9.465 3.524 1.00 1.37 C ATOM 0 H ILE A 18 4.050 5.729 4.325 1.00 0.27 H new ATOM 0 HA ILE A 18 6.134 6.916 2.928 1.00 0.30 H new ATOM 0 HB ILE A 18 4.450 7.903 5.263 1.00 0.36 H new ATOM 0 HG12 ILE A 18 4.358 8.446 2.274 1.00 0.63 H new ATOM 0 HG13 ILE A 18 3.270 7.387 3.150 1.00 0.63 H new ATOM 0 HG21 ILE A 18 5.212 10.175 4.686 1.00 0.47 H new ATOM 0 HG22 ILE A 18 6.558 9.150 5.240 1.00 0.47 H new ATOM 0 HG23 ILE A 18 6.353 9.489 3.505 1.00 0.47 H new ATOM 0 HD11 ILE A 18 2.224 9.558 2.724 1.00 1.37 H new ATOM 0 HD12 ILE A 18 2.445 9.304 4.472 1.00 1.37 H new ATOM 0 HD13 ILE A 18 3.549 10.379 3.582 1.00 1.37 H new ATOM 283 N ALA A 19 6.748 6.330 6.124 1.00 0.25 N ATOM 284 CA ALA A 19 7.774 6.259 7.150 1.00 0.25 C ATOM 285 C ALA A 19 8.869 5.269 6.782 1.00 0.23 C ATOM 286 O ALA A 19 10.053 5.595 6.862 1.00 0.28 O ATOM 287 CB ALA A 19 7.148 5.894 8.485 1.00 0.28 C ATOM 0 H ALA A 19 5.828 6.016 6.434 1.00 0.25 H new ATOM 0 HA ALA A 19 8.239 7.241 7.231 1.00 0.25 H new ATOM 0 HB1 ALA A 19 7.924 5.843 9.249 1.00 0.28 H new ATOM 0 HB2 ALA A 19 6.415 6.652 8.762 1.00 0.28 H new ATOM 0 HB3 ALA A 19 6.655 4.925 8.403 1.00 0.28 H new ATOM 293 N VAL A 20 8.486 4.059 6.374 1.00 0.20 N ATOM 294 CA VAL A 20 9.471 3.072 5.977 1.00 0.22 C ATOM 295 C VAL A 20 10.169 3.541 4.713 1.00 0.23 C ATOM 296 O VAL A 20 11.387 3.561 4.648 1.00 0.27 O ATOM 297 CB VAL A 20 8.868 1.651 5.785 1.00 0.27 C ATOM 298 CG1 VAL A 20 7.942 1.334 6.920 1.00 0.87 C ATOM 299 CG2 VAL A 20 8.132 1.494 4.463 1.00 0.87 C ATOM 0 H VAL A 20 7.516 3.749 6.313 1.00 0.20 H new ATOM 0 HA VAL A 20 10.193 2.981 6.788 1.00 0.22 H new ATOM 0 HB VAL A 20 9.703 0.951 5.771 1.00 0.27 H new ATOM 0 HG11 VAL A 20 7.523 0.338 6.780 1.00 0.87 H new ATOM 0 HG12 VAL A 20 8.494 1.367 7.860 1.00 0.87 H new ATOM 0 HG13 VAL A 20 7.135 2.067 6.947 1.00 0.87 H new ATOM 0 HG21 VAL A 20 7.734 0.482 4.386 1.00 0.87 H new ATOM 0 HG22 VAL A 20 7.313 2.211 4.415 1.00 0.87 H new ATOM 0 HG23 VAL A 20 8.822 1.676 3.639 1.00 0.87 H new ATOM 309 N PHE A 21 9.392 3.984 3.738 1.00 0.23 N ATOM 310 CA PHE A 21 9.959 4.492 2.489 1.00 0.25 C ATOM 311 C PHE A 21 10.997 5.574 2.772 1.00 0.29 C ATOM 312 O PHE A 21 12.059 5.614 2.154 1.00 0.35 O ATOM 313 CB PHE A 21 8.861 5.063 1.591 1.00 0.26 C ATOM 314 CG PHE A 21 9.384 5.620 0.298 1.00 0.91 C ATOM 315 CD1 PHE A 21 9.783 4.775 -0.720 1.00 1.85 C ATOM 316 CD2 PHE A 21 9.489 6.986 0.108 1.00 1.59 C ATOM 317 CE1 PHE A 21 10.275 5.279 -1.905 1.00 2.48 C ATOM 318 CE2 PHE A 21 9.983 7.497 -1.076 1.00 2.17 C ATOM 319 CZ PHE A 21 10.377 6.641 -2.083 1.00 2.40 C ATOM 0 H PHE A 21 8.373 4.004 3.782 1.00 0.23 H new ATOM 0 HA PHE A 21 10.441 3.659 1.977 1.00 0.25 H new ATOM 0 HB2 PHE A 21 8.134 4.280 1.374 1.00 0.26 H new ATOM 0 HB3 PHE A 21 8.332 5.849 2.130 1.00 0.26 H new ATOM 0 HD1 PHE A 21 9.708 3.706 -0.586 1.00 1.85 H new ATOM 0 HD2 PHE A 21 9.181 7.660 0.894 1.00 1.59 H new ATOM 0 HE1 PHE A 21 10.580 4.607 -2.693 1.00 2.48 H new ATOM 0 HE2 PHE A 21 10.061 8.565 -1.213 1.00 2.17 H new ATOM 0 HZ PHE A 21 10.765 7.038 -3.010 1.00 2.40 H new ATOM 329 N GLN A 22 10.684 6.424 3.733 1.00 0.30 N ATOM 330 CA GLN A 22 11.519 7.558 4.069 1.00 0.37 C ATOM 331 C GLN A 22 12.770 7.131 4.826 1.00 0.36 C ATOM 332 O GLN A 22 13.811 7.767 4.704 1.00 0.44 O ATOM 333 CB GLN A 22 10.703 8.559 4.887 1.00 0.47 C ATOM 334 CG GLN A 22 11.413 9.872 5.130 1.00 1.12 C ATOM 335 CD GLN A 22 11.916 10.020 6.555 1.00 1.98 C ATOM 336 OE1 GLN A 22 12.219 9.038 7.229 1.00 2.68 O ATOM 337 NE2 GLN A 22 12.018 11.254 7.021 1.00 2.66 N ATOM 0 H GLN A 22 9.841 6.345 4.302 1.00 0.30 H new ATOM 0 HA GLN A 22 11.853 8.030 3.145 1.00 0.37 H new ATOM 0 HB2 GLN A 22 9.763 8.755 4.371 1.00 0.47 H new ATOM 0 HB3 GLN A 22 10.451 8.110 5.848 1.00 0.47 H new ATOM 0 HG2 GLN A 22 12.255 9.956 4.443 1.00 1.12 H new ATOM 0 HG3 GLN A 22 10.733 10.694 4.903 1.00 1.12 H new ATOM 0 HE21 GLN A 22 11.757 12.045 6.432 1.00 2.66 H new ATOM 0 HE22 GLN A 22 12.358 11.415 7.969 1.00 2.66 H new ATOM 346 N LYS A 23 12.677 6.060 5.604 1.00 0.35 N ATOM 347 CA LYS A 23 13.839 5.577 6.335 1.00 0.39 C ATOM 348 C LYS A 23 14.728 4.716 5.439 1.00 0.40 C ATOM 349 O LYS A 23 15.934 4.615 5.668 1.00 0.49 O ATOM 350 CB LYS A 23 13.420 4.799 7.583 1.00 0.41 C ATOM 351 CG LYS A 23 12.806 3.461 7.305 1.00 0.42 C ATOM 352 CD LYS A 23 12.127 2.939 8.540 1.00 0.63 C ATOM 353 CE LYS A 23 11.846 1.467 8.402 1.00 0.63 C ATOM 354 NZ LYS A 23 11.220 0.877 9.613 1.00 0.91 N ATOM 0 H LYS A 23 11.824 5.518 5.743 1.00 0.35 H new ATOM 0 HA LYS A 23 14.415 6.446 6.655 1.00 0.39 H new ATOM 0 HB2 LYS A 23 14.294 4.658 8.218 1.00 0.41 H new ATOM 0 HB3 LYS A 23 12.708 5.401 8.149 1.00 0.41 H new ATOM 0 HG2 LYS A 23 12.085 3.545 6.492 1.00 0.42 H new ATOM 0 HG3 LYS A 23 13.574 2.760 6.979 1.00 0.42 H new ATOM 0 HD2 LYS A 23 12.758 3.115 9.411 1.00 0.63 H new ATOM 0 HD3 LYS A 23 11.195 3.480 8.706 1.00 0.63 H new ATOM 0 HE2 LYS A 23 11.190 1.307 7.547 1.00 0.63 H new ATOM 0 HE3 LYS A 23 12.778 0.943 8.191 1.00 0.63 H new ATOM 0 HZ1 LYS A 23 10.822 -0.055 9.379 1.00 0.91 H new ATOM 0 HZ2 LYS A 23 11.938 0.770 10.358 1.00 0.91 H new ATOM 0 HZ3 LYS A 23 10.461 1.503 9.951 1.00 0.91 H new ATOM 368 N TYR A 24 14.132 4.098 4.418 1.00 0.36 N ATOM 369 CA TYR A 24 14.898 3.335 3.442 1.00 0.39 C ATOM 370 C TYR A 24 15.643 4.304 2.546 1.00 0.34 C ATOM 371 O TYR A 24 16.857 4.264 2.433 1.00 0.40 O ATOM 372 CB TYR A 24 14.001 2.480 2.540 1.00 0.46 C ATOM 373 CG TYR A 24 13.050 1.503 3.207 1.00 0.86 C ATOM 374 CD1 TYR A 24 12.986 1.348 4.580 1.00 1.52 C ATOM 375 CD2 TYR A 24 12.194 0.733 2.427 1.00 1.67 C ATOM 376 CE1 TYR A 24 12.101 0.459 5.156 1.00 1.83 C ATOM 377 CE2 TYR A 24 11.306 -0.150 2.997 1.00 1.99 C ATOM 378 CZ TYR A 24 11.265 -0.285 4.358 1.00 1.72 C ATOM 379 OH TYR A 24 10.369 -1.155 4.926 1.00 2.15 O ATOM 0 H TYR A 24 13.126 4.113 4.249 1.00 0.36 H new ATOM 0 HA TYR A 24 15.570 2.678 3.995 1.00 0.39 H new ATOM 0 HB2 TYR A 24 13.409 3.154 1.921 1.00 0.46 H new ATOM 0 HB3 TYR A 24 14.645 1.914 1.867 1.00 0.46 H new ATOM 0 HD1 TYR A 24 13.639 1.932 5.212 1.00 1.52 H new ATOM 0 HD2 TYR A 24 12.227 0.830 1.352 1.00 1.67 H new ATOM 0 HE1 TYR A 24 12.066 0.348 6.230 1.00 1.83 H new ATOM 0 HE2 TYR A 24 10.645 -0.733 2.373 1.00 1.99 H new ATOM 0 HH TYR A 24 9.478 -1.000 4.548 1.00 2.15 H new ATOM 389 N ALA A 25 14.874 5.184 1.924 1.00 0.29 N ATOM 390 CA ALA A 25 15.402 6.203 1.034 1.00 0.34 C ATOM 391 C ALA A 25 16.192 7.246 1.818 1.00 0.47 C ATOM 392 O ALA A 25 16.884 8.096 1.249 1.00 0.58 O ATOM 393 CB ALA A 25 14.258 6.851 0.276 1.00 0.37 C ATOM 0 H ALA A 25 13.859 5.210 2.024 1.00 0.29 H new ATOM 0 HA ALA A 25 16.083 5.738 0.321 1.00 0.34 H new ATOM 0 HB1 ALA A 25 14.652 7.616 -0.393 1.00 0.37 H new ATOM 0 HB2 ALA A 25 13.733 6.094 -0.307 1.00 0.37 H new ATOM 0 HB3 ALA A 25 13.566 7.308 0.983 1.00 0.37 H new ATOM 399 N GLY A 26 16.032 7.208 3.135 1.00 0.49 N ATOM 400 CA GLY A 26 16.711 8.146 4.003 1.00 0.64 C ATOM 401 C GLY A 26 18.134 7.729 4.324 1.00 0.75 C ATOM 402 O GLY A 26 18.799 8.359 5.148 1.00 0.96 O ATOM 0 H GLY A 26 15.437 6.536 3.620 1.00 0.49 H new ATOM 0 HA2 GLY A 26 16.723 9.128 3.530 1.00 0.64 H new ATOM 0 HA3 GLY A 26 16.149 8.247 4.931 1.00 0.64 H new ATOM 503 N THR A 33 13.395 8.829 -3.372 1.00 0.67 N ATOM 504 CA THR A 33 13.601 7.627 -4.162 1.00 0.46 C ATOM 505 C THR A 33 14.556 6.676 -3.444 1.00 0.38 C ATOM 506 O THR A 33 15.579 7.092 -2.900 1.00 0.44 O ATOM 507 CB THR A 33 14.154 7.966 -5.562 1.00 0.45 C ATOM 508 OG1 THR A 33 13.887 9.340 -5.882 1.00 0.66 O ATOM 509 CG2 THR A 33 13.526 7.081 -6.625 1.00 0.43 C ATOM 0 HA THR A 33 12.634 7.140 -4.284 1.00 0.46 H new ATOM 0 HB THR A 33 15.230 7.792 -5.545 1.00 0.45 H new ATOM 0 HG1 THR A 33 13.540 9.799 -5.089 1.00 0.66 H new ATOM 0 HG21 THR A 33 13.933 7.341 -7.602 1.00 0.43 H new ATOM 0 HG22 THR A 33 13.747 6.036 -6.406 1.00 0.43 H new ATOM 0 HG23 THR A 33 12.446 7.230 -6.631 1.00 0.43 H new ATOM 517 N LEU A 34 14.183 5.411 -3.442 1.00 0.32 N ATOM 518 CA LEU A 34 14.912 4.348 -2.771 1.00 0.30 C ATOM 519 C LEU A 34 15.973 3.768 -3.685 1.00 0.31 C ATOM 520 O LEU A 34 15.662 3.094 -4.662 1.00 0.34 O ATOM 521 CB LEU A 34 13.896 3.273 -2.391 1.00 0.30 C ATOM 522 CG LEU A 34 13.766 2.954 -0.908 1.00 0.29 C ATOM 523 CD1 LEU A 34 12.367 2.456 -0.606 1.00 0.45 C ATOM 524 CD2 LEU A 34 14.790 1.909 -0.509 1.00 0.28 C ATOM 0 H LEU A 34 13.343 5.084 -3.919 1.00 0.32 H new ATOM 0 HA LEU A 34 15.419 4.733 -1.886 1.00 0.30 H new ATOM 0 HB2 LEU A 34 12.918 3.582 -2.760 1.00 0.30 H new ATOM 0 HB3 LEU A 34 14.159 2.354 -2.916 1.00 0.30 H new ATOM 0 HG LEU A 34 13.949 3.862 -0.333 1.00 0.29 H new ATOM 0 HD11 LEU A 34 12.283 2.230 0.457 1.00 0.45 H new ATOM 0 HD12 LEU A 34 11.642 3.225 -0.872 1.00 0.45 H new ATOM 0 HD13 LEU A 34 12.169 1.554 -1.185 1.00 0.45 H new ATOM 0 HD21 LEU A 34 14.689 1.688 0.553 1.00 0.28 H new ATOM 0 HD22 LEU A 34 14.625 0.999 -1.086 1.00 0.28 H new ATOM 0 HD23 LEU A 34 15.793 2.288 -0.707 1.00 0.28 H new ATOM 536 N SER A 35 17.224 4.040 -3.368 1.00 0.32 N ATOM 537 CA SER A 35 18.333 3.598 -4.185 1.00 0.33 C ATOM 538 C SER A 35 18.517 2.085 -4.072 1.00 0.32 C ATOM 539 O SER A 35 17.955 1.456 -3.173 1.00 0.30 O ATOM 540 CB SER A 35 19.608 4.344 -3.779 1.00 0.37 C ATOM 541 OG SER A 35 20.683 4.072 -4.663 1.00 0.40 O ATOM 0 H SER A 35 17.497 4.571 -2.541 1.00 0.32 H new ATOM 0 HA SER A 35 18.118 3.826 -5.229 1.00 0.33 H new ATOM 0 HB2 SER A 35 19.412 5.416 -3.764 1.00 0.37 H new ATOM 0 HB3 SER A 35 19.890 4.057 -2.766 1.00 0.37 H new ATOM 0 HG SER A 35 21.478 4.566 -4.373 1.00 0.40 H new ATOM 547 N LYS A 36 19.324 1.520 -4.975 1.00 0.38 N ATOM 548 CA LYS A 36 19.462 0.071 -5.118 1.00 0.42 C ATOM 549 C LYS A 36 19.694 -0.606 -3.776 1.00 0.36 C ATOM 550 O LYS A 36 18.871 -1.391 -3.309 1.00 0.35 O ATOM 551 CB LYS A 36 20.616 -0.259 -6.074 1.00 0.53 C ATOM 552 CG LYS A 36 20.880 -1.749 -6.241 1.00 0.62 C ATOM 553 CD LYS A 36 19.669 -2.472 -6.803 1.00 0.66 C ATOM 554 CE LYS A 36 19.945 -3.949 -7.053 1.00 0.61 C ATOM 555 NZ LYS A 36 20.885 -4.157 -8.184 1.00 0.65 N ATOM 0 H LYS A 36 19.899 2.055 -5.626 1.00 0.38 H new ATOM 0 HA LYS A 36 18.528 -0.310 -5.530 1.00 0.42 H new ATOM 0 HB2 LYS A 36 20.398 0.172 -7.051 1.00 0.53 H new ATOM 0 HB3 LYS A 36 21.524 0.221 -5.709 1.00 0.53 H new ATOM 0 HG2 LYS A 36 21.732 -1.896 -6.904 1.00 0.62 H new ATOM 0 HG3 LYS A 36 21.148 -2.182 -5.277 1.00 0.62 H new ATOM 0 HD2 LYS A 36 18.834 -2.373 -6.109 1.00 0.66 H new ATOM 0 HD3 LYS A 36 19.366 -1.998 -7.736 1.00 0.66 H new ATOM 0 HE2 LYS A 36 20.359 -4.398 -6.150 1.00 0.61 H new ATOM 0 HE3 LYS A 36 19.007 -4.463 -7.263 1.00 0.61 H new ATOM 0 HZ1 LYS A 36 20.914 -5.167 -8.430 1.00 0.65 H new ATOM 0 HZ2 LYS A 36 20.564 -3.610 -9.008 1.00 0.65 H new ATOM 0 HZ3 LYS A 36 21.836 -3.840 -7.908 1.00 0.65 H new ATOM 569 N THR A 37 20.797 -0.269 -3.147 1.00 0.37 N ATOM 570 CA THR A 37 21.167 -0.881 -1.893 1.00 0.38 C ATOM 571 C THR A 37 20.175 -0.550 -0.781 1.00 0.36 C ATOM 572 O THR A 37 19.974 -1.348 0.137 1.00 0.38 O ATOM 573 CB THR A 37 22.560 -0.428 -1.467 1.00 0.44 C ATOM 574 OG1 THR A 37 23.488 -0.632 -2.541 1.00 0.48 O ATOM 575 CG2 THR A 37 23.008 -1.206 -0.241 1.00 0.49 C ATOM 0 H THR A 37 21.457 0.431 -3.487 1.00 0.37 H new ATOM 0 HA THR A 37 21.159 -1.959 -2.053 1.00 0.38 H new ATOM 0 HB THR A 37 22.528 0.633 -1.220 1.00 0.44 H new ATOM 0 HG1 THR A 37 24.380 -0.338 -2.263 1.00 0.48 H new ATOM 0 HG21 THR A 37 24.003 -0.876 0.056 1.00 0.49 H new ATOM 0 HG22 THR A 37 22.309 -1.031 0.577 1.00 0.49 H new ATOM 0 HG23 THR A 37 23.033 -2.270 -0.475 1.00 0.49 H new ATOM 583 N GLU A 38 19.544 0.615 -0.868 1.00 0.34 N ATOM 584 CA GLU A 38 18.617 1.040 0.167 1.00 0.34 C ATOM 585 C GLU A 38 17.472 0.049 0.283 1.00 0.34 C ATOM 586 O GLU A 38 17.099 -0.346 1.389 1.00 0.48 O ATOM 587 CB GLU A 38 18.088 2.447 -0.097 1.00 0.35 C ATOM 588 CG GLU A 38 19.181 3.501 -0.149 1.00 0.47 C ATOM 589 CD GLU A 38 18.635 4.912 -0.217 1.00 1.27 C ATOM 590 OE1 GLU A 38 18.076 5.287 -1.263 1.00 1.96 O ATOM 591 OE2 GLU A 38 18.771 5.652 0.775 1.00 2.16 O ATOM 0 H GLU A 38 19.657 1.275 -1.638 1.00 0.34 H new ATOM 0 HA GLU A 38 19.158 1.067 1.113 1.00 0.34 H new ATOM 0 HB2 GLU A 38 17.544 2.452 -1.041 1.00 0.35 H new ATOM 0 HB3 GLU A 38 17.375 2.712 0.684 1.00 0.35 H new ATOM 0 HG2 GLU A 38 19.815 3.404 0.732 1.00 0.47 H new ATOM 0 HG3 GLU A 38 19.813 3.319 -1.018 1.00 0.47 H new ATOM 598 N PHE A 39 16.934 -0.394 -0.851 1.00 0.29 N ATOM 599 CA PHE A 39 15.871 -1.382 -0.803 1.00 0.31 C ATOM 600 C PHE A 39 16.428 -2.761 -0.621 1.00 0.28 C ATOM 601 O PHE A 39 15.827 -3.575 0.043 1.00 0.27 O ATOM 602 CB PHE A 39 14.921 -1.339 -2.000 1.00 0.53 C ATOM 603 CG PHE A 39 15.523 -1.341 -3.371 1.00 0.81 C ATOM 604 CD1 PHE A 39 15.906 -2.522 -3.974 1.00 1.78 C ATOM 605 CD2 PHE A 39 15.650 -0.160 -4.078 1.00 1.76 C ATOM 606 CE1 PHE A 39 16.414 -2.525 -5.255 1.00 2.66 C ATOM 607 CE2 PHE A 39 16.161 -0.154 -5.357 1.00 2.62 C ATOM 608 CZ PHE A 39 16.544 -1.339 -5.946 1.00 2.88 C ATOM 0 H PHE A 39 17.209 -0.093 -1.786 1.00 0.29 H new ATOM 0 HA PHE A 39 15.268 -1.117 0.065 1.00 0.31 H new ATOM 0 HB2 PHE A 39 14.252 -2.196 -1.927 1.00 0.53 H new ATOM 0 HB3 PHE A 39 14.305 -0.445 -1.906 1.00 0.53 H new ATOM 0 HD1 PHE A 39 15.807 -3.453 -3.436 1.00 1.78 H new ATOM 0 HD2 PHE A 39 15.345 0.770 -3.622 1.00 1.76 H new ATOM 0 HE1 PHE A 39 16.710 -3.455 -5.717 1.00 2.66 H new ATOM 0 HE2 PHE A 39 16.261 0.776 -5.896 1.00 2.62 H new ATOM 0 HZ PHE A 39 16.946 -1.339 -6.948 1.00 2.88 H new ATOM 618 N LEU A 40 17.584 -3.017 -1.182 1.00 0.33 N ATOM 619 CA LEU A 40 18.260 -4.280 -0.956 1.00 0.37 C ATOM 620 C LEU A 40 18.338 -4.586 0.536 1.00 0.40 C ATOM 621 O LEU A 40 18.057 -5.700 0.975 1.00 0.43 O ATOM 622 CB LEU A 40 19.663 -4.205 -1.536 1.00 0.43 C ATOM 623 CG LEU A 40 19.862 -4.840 -2.916 1.00 0.50 C ATOM 624 CD1 LEU A 40 19.855 -6.356 -2.827 1.00 1.07 C ATOM 625 CD2 LEU A 40 18.791 -4.375 -3.878 1.00 0.46 C ATOM 0 H LEU A 40 18.079 -2.372 -1.798 1.00 0.33 H new ATOM 0 HA LEU A 40 17.698 -5.076 -1.444 1.00 0.37 H new ATOM 0 HB2 LEU A 40 19.952 -3.156 -1.597 1.00 0.43 H new ATOM 0 HB3 LEU A 40 20.348 -4.684 -0.837 1.00 0.43 H new ATOM 0 HG LEU A 40 20.835 -4.521 -3.290 1.00 0.50 H new ATOM 0 HD11 LEU A 40 19.998 -6.779 -3.821 1.00 1.07 H new ATOM 0 HD12 LEU A 40 20.662 -6.686 -2.172 1.00 1.07 H new ATOM 0 HD13 LEU A 40 18.900 -6.692 -2.423 1.00 1.07 H new ATOM 0 HD21 LEU A 40 18.951 -4.838 -4.852 1.00 0.46 H new ATOM 0 HD22 LEU A 40 17.811 -4.661 -3.497 1.00 0.46 H new ATOM 0 HD23 LEU A 40 18.839 -3.291 -3.979 1.00 0.46 H new ATOM 637 N SER A 41 18.648 -3.566 1.313 1.00 0.42 N ATOM 638 CA SER A 41 18.884 -3.745 2.733 1.00 0.52 C ATOM 639 C SER A 41 17.563 -3.745 3.482 1.00 0.45 C ATOM 640 O SER A 41 17.333 -4.560 4.374 1.00 0.47 O ATOM 641 CB SER A 41 19.800 -2.635 3.261 1.00 0.67 C ATOM 642 OG SER A 41 20.060 -2.792 4.646 1.00 1.40 O ATOM 0 H SER A 41 18.742 -2.605 0.985 1.00 0.42 H new ATOM 0 HA SER A 41 19.376 -4.704 2.893 1.00 0.52 H new ATOM 0 HB2 SER A 41 20.740 -2.645 2.710 1.00 0.67 H new ATOM 0 HB3 SER A 41 19.337 -1.664 3.084 1.00 0.67 H new ATOM 0 HG SER A 41 20.648 -2.070 4.952 1.00 1.40 H new ATOM 648 N PHE A 42 16.689 -2.842 3.083 1.00 0.42 N ATOM 649 CA PHE A 42 15.430 -2.638 3.765 1.00 0.46 C ATOM 650 C PHE A 42 14.348 -3.608 3.318 1.00 0.29 C ATOM 651 O PHE A 42 13.383 -3.843 4.037 1.00 0.43 O ATOM 652 CB PHE A 42 15.023 -1.191 3.647 1.00 0.80 C ATOM 653 CG PHE A 42 15.498 -0.400 4.839 1.00 1.89 C ATOM 654 CD1 PHE A 42 15.063 -0.731 6.112 1.00 2.77 C ATOM 655 CD2 PHE A 42 16.368 0.666 4.695 1.00 2.69 C ATOM 656 CE1 PHE A 42 15.484 -0.019 7.217 1.00 3.80 C ATOM 657 CE2 PHE A 42 16.793 1.386 5.800 1.00 3.73 C ATOM 658 CZ PHE A 42 16.349 1.042 7.060 1.00 4.13 C ATOM 0 H PHE A 42 16.833 -2.231 2.279 1.00 0.42 H new ATOM 0 HA PHE A 42 15.569 -2.864 4.822 1.00 0.46 H new ATOM 0 HB2 PHE A 42 15.439 -0.765 2.734 1.00 0.80 H new ATOM 0 HB3 PHE A 42 13.938 -1.119 3.567 1.00 0.80 H new ATOM 0 HD1 PHE A 42 14.383 -1.560 6.242 1.00 2.77 H new ATOM 0 HD2 PHE A 42 16.720 0.940 3.711 1.00 2.69 H new ATOM 0 HE1 PHE A 42 15.136 -0.293 8.202 1.00 3.80 H new ATOM 0 HE2 PHE A 42 17.472 2.217 5.675 1.00 3.73 H new ATOM 0 HZ PHE A 42 16.679 1.603 7.922 1.00 4.13 H new ATOM 668 N MET A 43 14.508 -4.174 2.146 1.00 0.26 N ATOM 669 CA MET A 43 13.684 -5.297 1.735 1.00 0.29 C ATOM 670 C MET A 43 14.102 -6.561 2.474 1.00 0.29 C ATOM 671 O MET A 43 13.266 -7.334 2.916 1.00 0.37 O ATOM 672 CB MET A 43 13.800 -5.532 0.245 1.00 0.39 C ATOM 673 CG MET A 43 12.987 -4.570 -0.612 1.00 0.62 C ATOM 674 SD MET A 43 13.293 -4.791 -2.378 1.00 1.22 S ATOM 675 CE MET A 43 12.152 -3.605 -3.081 1.00 2.26 C ATOM 0 H MET A 43 15.200 -3.879 1.457 1.00 0.26 H new ATOM 0 HA MET A 43 12.649 -5.058 1.979 1.00 0.29 H new ATOM 0 HB2 MET A 43 14.849 -5.456 -0.041 1.00 0.39 H new ATOM 0 HB3 MET A 43 13.483 -6.551 0.025 1.00 0.39 H new ATOM 0 HG2 MET A 43 11.926 -4.716 -0.409 1.00 0.62 H new ATOM 0 HG3 MET A 43 13.228 -3.545 -0.330 1.00 0.62 H new ATOM 0 HE1 MET A 43 12.507 -3.297 -4.064 1.00 2.26 H new ATOM 0 HE2 MET A 43 11.167 -4.061 -3.177 1.00 2.26 H new ATOM 0 HE3 MET A 43 12.086 -2.733 -2.430 1.00 2.26 H new ATOM 685 N ASN A 44 15.405 -6.779 2.608 1.00 0.29 N ATOM 686 CA ASN A 44 15.893 -7.946 3.338 1.00 0.33 C ATOM 687 C ASN A 44 15.512 -7.882 4.807 1.00 0.32 C ATOM 688 O ASN A 44 15.326 -8.908 5.443 1.00 0.39 O ATOM 689 CB ASN A 44 17.404 -8.081 3.235 1.00 0.42 C ATOM 690 CG ASN A 44 17.852 -8.954 2.078 1.00 1.05 C ATOM 691 OD1 ASN A 44 17.888 -10.180 2.191 1.00 1.54 O ATOM 692 ND2 ASN A 44 18.235 -8.336 0.976 1.00 1.83 N ATOM 0 H ASN A 44 16.134 -6.175 2.228 1.00 0.29 H new ATOM 0 HA ASN A 44 15.421 -8.814 2.877 1.00 0.33 H new ATOM 0 HB2 ASN A 44 17.843 -7.090 3.124 1.00 0.42 H new ATOM 0 HB3 ASN A 44 17.789 -8.498 4.166 1.00 0.42 H new ATOM 0 HD21 ASN A 44 18.575 -8.876 0.180 1.00 1.83 H new ATOM 0 HD22 ASN A 44 18.191 -7.319 0.920 1.00 1.83 H new ATOM 699 N THR A 45 15.405 -6.680 5.345 1.00 0.26 N ATOM 700 CA THR A 45 15.077 -6.522 6.756 1.00 0.29 C ATOM 701 C THR A 45 13.583 -6.416 6.965 1.00 0.28 C ATOM 702 O THR A 45 12.964 -7.262 7.613 1.00 0.34 O ATOM 703 CB THR A 45 15.731 -5.267 7.355 1.00 0.29 C ATOM 704 OG1 THR A 45 15.678 -4.195 6.409 1.00 0.34 O ATOM 705 CG2 THR A 45 17.173 -5.535 7.750 1.00 0.34 C ATOM 0 H THR A 45 15.538 -5.806 4.836 1.00 0.26 H new ATOM 0 HA THR A 45 15.462 -7.410 7.258 1.00 0.29 H new ATOM 0 HB THR A 45 15.178 -4.990 8.253 1.00 0.29 H new ATOM 0 HG1 THR A 45 16.495 -4.196 5.867 1.00 0.34 H new ATOM 0 HG21 THR A 45 17.609 -4.629 8.171 1.00 0.34 H new ATOM 0 HG22 THR A 45 17.205 -6.332 8.493 1.00 0.34 H new ATOM 0 HG23 THR A 45 17.741 -5.837 6.870 1.00 0.34 H new ATOM 713 N GLU A 46 13.005 -5.383 6.392 1.00 0.23 N ATOM 714 CA GLU A 46 11.612 -5.070 6.616 1.00 0.25 C ATOM 715 C GLU A 46 10.701 -5.973 5.800 1.00 0.25 C ATOM 716 O GLU A 46 9.489 -5.922 5.945 1.00 0.34 O ATOM 717 CB GLU A 46 11.347 -3.606 6.286 1.00 0.29 C ATOM 718 CG GLU A 46 12.202 -2.631 7.084 1.00 0.58 C ATOM 719 CD GLU A 46 11.877 -2.625 8.565 1.00 1.17 C ATOM 720 OE1 GLU A 46 12.434 -3.463 9.304 1.00 1.68 O ATOM 721 OE2 GLU A 46 11.071 -1.772 9.002 1.00 1.70 O ATOM 0 H GLU A 46 13.484 -4.740 5.762 1.00 0.23 H new ATOM 0 HA GLU A 46 11.391 -5.244 7.669 1.00 0.25 H new ATOM 0 HB2 GLU A 46 11.525 -3.445 5.223 1.00 0.29 H new ATOM 0 HB3 GLU A 46 10.295 -3.387 6.470 1.00 0.29 H new ATOM 0 HG2 GLU A 46 13.253 -2.886 6.950 1.00 0.58 H new ATOM 0 HG3 GLU A 46 12.065 -1.626 6.684 1.00 0.58 H new ATOM 728 N LEU A 47 11.284 -6.787 4.934 1.00 0.25 N ATOM 729 CA LEU A 47 10.515 -7.741 4.154 1.00 0.26 C ATOM 730 C LEU A 47 11.193 -9.099 4.152 1.00 0.28 C ATOM 731 O LEU A 47 10.998 -9.897 3.240 1.00 0.30 O ATOM 732 CB LEU A 47 10.333 -7.236 2.727 1.00 0.26 C ATOM 733 CG LEU A 47 9.544 -5.941 2.614 1.00 0.27 C ATOM 734 CD1 LEU A 47 9.602 -5.411 1.196 1.00 0.32 C ATOM 735 CD2 LEU A 47 8.107 -6.170 3.056 1.00 0.27 C ATOM 0 H LEU A 47 12.288 -6.805 4.754 1.00 0.25 H new ATOM 0 HA LEU A 47 9.532 -7.848 4.613 1.00 0.26 H new ATOM 0 HB2 LEU A 47 11.316 -7.089 2.279 1.00 0.26 H new ATOM 0 HB3 LEU A 47 9.829 -8.006 2.144 1.00 0.26 H new ATOM 0 HG LEU A 47 9.989 -5.192 3.269 1.00 0.27 H new ATOM 0 HD11 LEU A 47 9.033 -4.484 1.131 1.00 0.32 H new ATOM 0 HD12 LEU A 47 10.639 -5.220 0.921 1.00 0.32 H new ATOM 0 HD13 LEU A 47 9.176 -6.147 0.515 1.00 0.32 H new ATOM 0 HD21 LEU A 47 7.548 -5.238 2.972 1.00 0.27 H new ATOM 0 HD22 LEU A 47 7.647 -6.927 2.421 1.00 0.27 H new ATOM 0 HD23 LEU A 47 8.095 -6.509 4.092 1.00 0.27 H new ATOM 747 N ALA A 48 12.037 -9.326 5.153 1.00 0.32 N ATOM 748 CA ALA A 48 12.631 -10.637 5.398 1.00 0.36 C ATOM 749 C ALA A 48 11.601 -11.767 5.327 1.00 0.39 C ATOM 750 O ALA A 48 11.933 -12.886 4.932 1.00 0.44 O ATOM 751 CB ALA A 48 13.307 -10.642 6.755 1.00 0.41 C ATOM 0 H ALA A 48 12.329 -8.608 5.817 1.00 0.32 H new ATOM 0 HA ALA A 48 13.363 -10.818 4.611 1.00 0.36 H new ATOM 0 HB1 ALA A 48 13.750 -11.621 6.937 1.00 0.41 H new ATOM 0 HB2 ALA A 48 14.087 -9.881 6.776 1.00 0.41 H new ATOM 0 HB3 ALA A 48 12.570 -10.427 7.529 1.00 0.41 H new ATOM 757 N ALA A 49 10.363 -11.474 5.715 1.00 0.38 N ATOM 758 CA ALA A 49 9.277 -12.445 5.633 1.00 0.41 C ATOM 759 C ALA A 49 9.102 -12.938 4.205 1.00 0.41 C ATOM 760 O ALA A 49 8.897 -14.125 3.965 1.00 0.47 O ATOM 761 CB ALA A 49 7.980 -11.827 6.133 1.00 0.44 C ATOM 0 H ALA A 49 10.086 -10.567 6.091 1.00 0.38 H new ATOM 0 HA ALA A 49 9.531 -13.296 6.264 1.00 0.41 H new ATOM 0 HB1 ALA A 49 7.178 -12.562 6.067 1.00 0.44 H new ATOM 0 HB2 ALA A 49 8.102 -11.515 7.170 1.00 0.44 H new ATOM 0 HB3 ALA A 49 7.730 -10.960 5.521 1.00 0.44 H new ATOM 767 N PHE A 50 9.188 -12.009 3.271 1.00 0.36 N ATOM 768 CA PHE A 50 9.039 -12.299 1.853 1.00 0.37 C ATOM 769 C PHE A 50 10.368 -12.719 1.230 1.00 0.38 C ATOM 770 O PHE A 50 10.440 -13.666 0.451 1.00 0.44 O ATOM 771 CB PHE A 50 8.519 -11.051 1.146 1.00 0.35 C ATOM 772 CG PHE A 50 8.335 -11.214 -0.338 1.00 0.70 C ATOM 773 CD1 PHE A 50 7.234 -11.887 -0.844 1.00 1.32 C ATOM 774 CD2 PHE A 50 9.264 -10.694 -1.226 1.00 1.63 C ATOM 775 CE1 PHE A 50 7.063 -12.036 -2.207 1.00 1.66 C ATOM 776 CE2 PHE A 50 9.099 -10.841 -2.589 1.00 2.09 C ATOM 777 CZ PHE A 50 7.997 -11.513 -3.080 1.00 1.80 C ATOM 0 H PHE A 50 9.364 -11.025 3.474 1.00 0.36 H new ATOM 0 HA PHE A 50 8.336 -13.124 1.738 1.00 0.37 H new ATOM 0 HB2 PHE A 50 7.565 -10.767 1.590 1.00 0.35 H new ATOM 0 HB3 PHE A 50 9.212 -10.229 1.327 1.00 0.35 H new ATOM 0 HD1 PHE A 50 6.502 -12.299 -0.166 1.00 1.32 H new ATOM 0 HD2 PHE A 50 10.127 -10.167 -0.847 1.00 1.63 H new ATOM 0 HE1 PHE A 50 6.200 -12.561 -2.589 1.00 1.66 H new ATOM 0 HE2 PHE A 50 9.830 -10.431 -3.270 1.00 2.09 H new ATOM 0 HZ PHE A 50 7.866 -11.630 -4.146 1.00 1.80 H new ATOM 787 N THR A 51 11.409 -11.990 1.582 1.00 0.36 N ATOM 788 CA THR A 51 12.705 -12.118 0.946 1.00 0.40 C ATOM 789 C THR A 51 13.497 -13.327 1.450 1.00 0.45 C ATOM 790 O THR A 51 13.872 -14.212 0.676 1.00 0.54 O ATOM 791 CB THR A 51 13.517 -10.840 1.206 1.00 0.39 C ATOM 792 OG1 THR A 51 12.811 -9.699 0.701 1.00 0.39 O ATOM 793 CG2 THR A 51 14.893 -10.918 0.569 1.00 0.49 C ATOM 0 H THR A 51 11.379 -11.288 2.322 1.00 0.36 H new ATOM 0 HA THR A 51 12.532 -12.266 -0.120 1.00 0.40 H new ATOM 0 HB THR A 51 13.648 -10.740 2.283 1.00 0.39 H new ATOM 0 HG1 THR A 51 12.079 -9.471 1.312 1.00 0.39 H new ATOM 0 HG21 THR A 51 15.441 -9.998 0.772 1.00 0.49 H new ATOM 0 HG22 THR A 51 15.439 -11.765 0.985 1.00 0.49 H new ATOM 0 HG23 THR A 51 14.788 -11.048 -0.508 1.00 0.49 H new ATOM 801 N LYS A 52 13.721 -13.376 2.754 1.00 0.48 N ATOM 802 CA LYS A 52 14.672 -14.316 3.335 1.00 0.60 C ATOM 803 C LYS A 52 14.077 -15.702 3.523 1.00 0.69 C ATOM 804 O LYS A 52 14.764 -16.622 3.975 1.00 0.84 O ATOM 805 CB LYS A 52 15.174 -13.799 4.678 1.00 0.70 C ATOM 806 CG LYS A 52 16.001 -12.526 4.568 1.00 0.78 C ATOM 807 CD LYS A 52 16.650 -12.163 5.893 1.00 1.07 C ATOM 808 CE LYS A 52 17.536 -10.937 5.757 1.00 1.24 C ATOM 809 NZ LYS A 52 18.160 -10.550 7.050 1.00 1.82 N ATOM 0 H LYS A 52 13.256 -12.774 3.434 1.00 0.48 H new ATOM 0 HA LYS A 52 15.501 -14.400 2.632 1.00 0.60 H new ATOM 0 HB2 LYS A 52 14.320 -13.613 5.329 1.00 0.70 H new ATOM 0 HB3 LYS A 52 15.775 -14.573 5.155 1.00 0.70 H new ATOM 0 HG2 LYS A 52 16.772 -12.657 3.809 1.00 0.78 H new ATOM 0 HG3 LYS A 52 15.364 -11.705 4.237 1.00 0.78 H new ATOM 0 HD2 LYS A 52 15.878 -11.975 6.639 1.00 1.07 H new ATOM 0 HD3 LYS A 52 17.243 -13.004 6.253 1.00 1.07 H new ATOM 0 HE2 LYS A 52 18.317 -11.135 5.023 1.00 1.24 H new ATOM 0 HE3 LYS A 52 16.945 -10.104 5.377 1.00 1.24 H new ATOM 0 HZ1 LYS A 52 18.756 -9.709 6.910 1.00 1.82 H new ATOM 0 HZ2 LYS A 52 17.416 -10.336 7.744 1.00 1.82 H new ATOM 0 HZ3 LYS A 52 18.746 -11.334 7.401 1.00 1.82 H new ATOM 902 N GLY A 58 18.202 -11.830 -4.535 1.00 0.67 N ATOM 903 CA GLY A 58 18.288 -11.575 -5.959 1.00 0.56 C ATOM 904 C GLY A 58 16.949 -11.184 -6.543 1.00 0.49 C ATOM 905 O GLY A 58 16.880 -10.576 -7.609 1.00 0.48 O ATOM 0 HA2 GLY A 58 19.010 -10.780 -6.143 1.00 0.56 H new ATOM 0 HA3 GLY A 58 18.659 -12.466 -6.466 1.00 0.56 H new ATOM 909 N VAL A 59 15.880 -11.526 -5.838 1.00 0.52 N ATOM 910 CA VAL A 59 14.543 -11.146 -6.258 1.00 0.52 C ATOM 911 C VAL A 59 14.370 -9.646 -6.207 1.00 0.49 C ATOM 912 O VAL A 59 13.691 -9.070 -7.043 1.00 0.49 O ATOM 913 CB VAL A 59 13.452 -11.786 -5.383 1.00 0.61 C ATOM 914 CG1 VAL A 59 13.635 -11.396 -3.931 1.00 0.65 C ATOM 915 CG2 VAL A 59 12.076 -11.364 -5.867 1.00 0.66 C ATOM 0 H VAL A 59 15.915 -12.066 -4.973 1.00 0.52 H new ATOM 0 HA VAL A 59 14.432 -11.507 -7.280 1.00 0.52 H new ATOM 0 HB VAL A 59 13.539 -12.870 -5.464 1.00 0.61 H new ATOM 0 HG11 VAL A 59 12.853 -11.859 -3.329 1.00 0.65 H new ATOM 0 HG12 VAL A 59 14.610 -11.736 -3.583 1.00 0.65 H new ATOM 0 HG13 VAL A 59 13.573 -10.312 -3.835 1.00 0.65 H new ATOM 0 HG21 VAL A 59 11.313 -11.824 -5.239 1.00 0.66 H new ATOM 0 HG22 VAL A 59 11.987 -10.279 -5.810 1.00 0.66 H new ATOM 0 HG23 VAL A 59 11.939 -11.686 -6.899 1.00 0.66 H new ATOM 925 N LEU A 60 14.998 -9.016 -5.231 1.00 0.48 N ATOM 926 CA LEU A 60 14.867 -7.579 -5.054 1.00 0.46 C ATOM 927 C LEU A 60 15.477 -6.865 -6.247 1.00 0.43 C ATOM 928 O LEU A 60 15.190 -5.701 -6.508 1.00 0.41 O ATOM 929 CB LEU A 60 15.549 -7.118 -3.767 1.00 0.48 C ATOM 930 CG LEU A 60 15.383 -8.054 -2.566 1.00 0.51 C ATOM 931 CD1 LEU A 60 16.205 -7.558 -1.387 1.00 0.51 C ATOM 932 CD2 LEU A 60 13.916 -8.178 -2.185 1.00 0.52 C ATOM 0 H LEU A 60 15.603 -9.474 -4.549 1.00 0.48 H new ATOM 0 HA LEU A 60 13.807 -7.335 -4.980 1.00 0.46 H new ATOM 0 HB2 LEU A 60 16.614 -6.993 -3.964 1.00 0.48 H new ATOM 0 HB3 LEU A 60 15.157 -6.137 -3.499 1.00 0.48 H new ATOM 0 HG LEU A 60 15.748 -9.042 -2.845 1.00 0.51 H new ATOM 0 HD11 LEU A 60 16.075 -8.235 -0.543 1.00 0.51 H new ATOM 0 HD12 LEU A 60 17.258 -7.524 -1.666 1.00 0.51 H new ATOM 0 HD13 LEU A 60 15.872 -6.559 -1.106 1.00 0.51 H new ATOM 0 HD21 LEU A 60 13.817 -8.847 -1.330 1.00 0.52 H new ATOM 0 HD22 LEU A 60 13.524 -7.195 -1.924 1.00 0.52 H new ATOM 0 HD23 LEU A 60 13.354 -8.581 -3.028 1.00 0.52 H new ATOM 944 N ASP A 61 16.315 -7.590 -6.969 1.00 0.46 N ATOM 945 CA ASP A 61 16.929 -7.079 -8.190 1.00 0.46 C ATOM 946 C ASP A 61 15.927 -7.147 -9.328 1.00 0.47 C ATOM 947 O ASP A 61 15.938 -6.328 -10.248 1.00 0.51 O ATOM 948 CB ASP A 61 18.182 -7.889 -8.534 1.00 0.47 C ATOM 949 CG ASP A 61 19.062 -7.210 -9.569 1.00 0.48 C ATOM 950 OD1 ASP A 61 18.793 -7.354 -10.778 1.00 1.22 O ATOM 951 OD2 ASP A 61 20.040 -6.534 -9.175 1.00 1.19 O ATOM 0 H ASP A 61 16.589 -8.543 -6.730 1.00 0.46 H new ATOM 0 HA ASP A 61 17.224 -6.041 -8.035 1.00 0.46 H new ATOM 0 HB2 ASP A 61 18.761 -8.055 -7.626 1.00 0.47 H new ATOM 0 HB3 ASP A 61 17.884 -8.869 -8.906 1.00 0.47 H new ATOM 956 N ARG A 62 15.045 -8.122 -9.234 1.00 0.47 N ATOM 957 CA ARG A 62 13.967 -8.279 -10.189 1.00 0.51 C ATOM 958 C ARG A 62 12.892 -7.247 -9.881 1.00 0.50 C ATOM 959 O ARG A 62 12.332 -6.613 -10.776 1.00 0.56 O ATOM 960 CB ARG A 62 13.389 -9.690 -10.095 1.00 0.55 C ATOM 961 CG ARG A 62 14.449 -10.755 -9.863 1.00 0.55 C ATOM 962 CD ARG A 62 13.834 -12.132 -9.705 1.00 0.62 C ATOM 963 NE ARG A 62 13.260 -12.624 -10.957 1.00 1.45 N ATOM 964 CZ ARG A 62 12.621 -13.787 -11.084 1.00 1.97 C ATOM 965 NH1 ARG A 62 12.473 -14.590 -10.038 1.00 1.66 N ATOM 966 NH2 ARG A 62 12.125 -14.145 -12.262 1.00 3.02 N ATOM 0 H ARG A 62 15.055 -8.826 -8.496 1.00 0.47 H new ATOM 0 HA ARG A 62 14.341 -8.129 -11.202 1.00 0.51 H new ATOM 0 HB2 ARG A 62 12.663 -9.725 -9.283 1.00 0.55 H new ATOM 0 HB3 ARG A 62 12.850 -9.917 -11.015 1.00 0.55 H new ATOM 0 HG2 ARG A 62 15.147 -10.762 -10.700 1.00 0.55 H new ATOM 0 HG3 ARG A 62 15.024 -10.508 -8.970 1.00 0.55 H new ATOM 0 HD2 ARG A 62 14.594 -12.831 -9.356 1.00 0.62 H new ATOM 0 HD3 ARG A 62 13.058 -12.097 -8.940 1.00 0.62 H new ATOM 0 HE ARG A 62 13.355 -12.039 -11.787 1.00 1.45 H new ATOM 0 HH11 ARG A 62 12.849 -14.319 -9.130 1.00 1.66 H new ATOM 0 HH12 ARG A 62 11.983 -15.478 -10.142 1.00 1.66 H new ATOM 0 HH21 ARG A 62 12.233 -13.530 -13.069 1.00 3.02 H new ATOM 0 HH22 ARG A 62 11.636 -15.035 -12.360 1.00 3.02 H new ATOM 980 N MET A 63 12.630 -7.080 -8.586 1.00 0.45 N ATOM 981 CA MET A 63 11.714 -6.063 -8.096 1.00 0.44 C ATOM 982 C MET A 63 12.216 -4.705 -8.524 1.00 0.41 C ATOM 983 O MET A 63 11.465 -3.904 -9.066 1.00 0.42 O ATOM 984 CB MET A 63 11.616 -6.103 -6.571 1.00 0.43 C ATOM 985 CG MET A 63 11.360 -7.490 -6.016 1.00 0.49 C ATOM 986 SD MET A 63 9.750 -8.158 -6.492 1.00 0.64 S ATOM 987 CE MET A 63 8.649 -7.121 -5.534 1.00 1.54 C ATOM 0 H MET A 63 13.049 -7.648 -7.850 1.00 0.45 H new ATOM 0 HA MET A 63 10.725 -6.254 -8.511 1.00 0.44 H new ATOM 0 HB2 MET A 63 12.542 -5.716 -6.145 1.00 0.43 H new ATOM 0 HB3 MET A 63 10.814 -5.438 -6.249 1.00 0.43 H new ATOM 0 HG2 MET A 63 12.143 -8.164 -6.363 1.00 0.49 H new ATOM 0 HG3 MET A 63 11.426 -7.458 -4.928 1.00 0.49 H new ATOM 0 HE1 MET A 63 7.644 -7.542 -5.553 1.00 1.54 H new ATOM 0 HE2 MET A 63 9.002 -7.070 -4.504 1.00 1.54 H new ATOM 0 HE3 MET A 63 8.630 -6.118 -5.961 1.00 1.54 H new ATOM 997 N MET A 64 13.506 -4.475 -8.283 1.00 0.41 N ATOM 998 CA MET A 64 14.177 -3.249 -8.681 1.00 0.42 C ATOM 999 C MET A 64 13.765 -2.829 -10.068 1.00 0.44 C ATOM 1000 O MET A 64 13.196 -1.774 -10.254 1.00 0.41 O ATOM 1001 CB MET A 64 15.694 -3.437 -8.665 1.00 0.55 C ATOM 1002 CG MET A 64 16.453 -2.305 -9.345 1.00 0.65 C ATOM 1003 SD MET A 64 18.174 -2.727 -9.671 1.00 1.87 S ATOM 1004 CE MET A 64 18.758 -1.211 -10.425 1.00 2.41 C ATOM 0 H MET A 64 14.113 -5.140 -7.804 1.00 0.41 H new ATOM 0 HA MET A 64 13.889 -2.477 -7.967 1.00 0.42 H new ATOM 0 HB2 MET A 64 16.031 -3.521 -7.632 1.00 0.55 H new ATOM 0 HB3 MET A 64 15.941 -4.377 -9.158 1.00 0.55 H new ATOM 0 HG2 MET A 64 15.960 -2.054 -10.284 1.00 0.65 H new ATOM 0 HG3 MET A 64 16.413 -1.416 -8.716 1.00 0.65 H new ATOM 0 HE1 MET A 64 19.728 -1.386 -10.890 1.00 2.41 H new ATOM 0 HE2 MET A 64 18.046 -0.884 -11.183 1.00 2.41 H new ATOM 0 HE3 MET A 64 18.855 -0.439 -9.662 1.00 2.41 H new ATOM 1014 N LYS A 65 14.018 -3.689 -11.026 1.00 0.52 N ATOM 1015 CA LYS A 65 13.859 -3.328 -12.426 1.00 0.56 C ATOM 1016 C LYS A 65 12.395 -3.291 -12.842 1.00 0.54 C ATOM 1017 O LYS A 65 12.035 -2.624 -13.810 1.00 0.60 O ATOM 1018 CB LYS A 65 14.661 -4.294 -13.278 1.00 0.66 C ATOM 1019 CG LYS A 65 16.120 -4.328 -12.862 1.00 0.79 C ATOM 1020 CD LYS A 65 16.817 -3.000 -13.127 1.00 0.86 C ATOM 1021 CE LYS A 65 16.813 -2.630 -14.604 1.00 1.57 C ATOM 1022 NZ LYS A 65 17.490 -3.656 -15.446 1.00 2.49 N ATOM 0 H LYS A 65 14.335 -4.645 -10.868 1.00 0.52 H new ATOM 0 HA LYS A 65 14.239 -2.318 -12.576 1.00 0.56 H new ATOM 0 HB2 LYS A 65 14.235 -5.294 -13.194 1.00 0.66 H new ATOM 0 HB3 LYS A 65 14.588 -4.003 -14.326 1.00 0.66 H new ATOM 0 HG2 LYS A 65 16.190 -4.569 -11.801 1.00 0.79 H new ATOM 0 HG3 LYS A 65 16.634 -5.122 -13.404 1.00 0.79 H new ATOM 0 HD2 LYS A 65 16.324 -2.213 -12.556 1.00 0.86 H new ATOM 0 HD3 LYS A 65 17.846 -3.055 -12.771 1.00 0.86 H new ATOM 0 HE2 LYS A 65 15.784 -2.507 -14.943 1.00 1.57 H new ATOM 0 HE3 LYS A 65 17.310 -1.669 -14.737 1.00 1.57 H new ATOM 0 HZ1 LYS A 65 17.613 -3.287 -16.411 1.00 2.49 H new ATOM 0 HZ2 LYS A 65 18.421 -3.880 -15.039 1.00 2.49 H new ATOM 0 HZ3 LYS A 65 16.909 -4.518 -15.477 1.00 2.49 H new ATOM 1036 N LYS A 66 11.556 -3.999 -12.108 1.00 0.50 N ATOM 1037 CA LYS A 66 10.118 -3.937 -12.320 1.00 0.52 C ATOM 1038 C LYS A 66 9.572 -2.594 -11.848 1.00 0.48 C ATOM 1039 O LYS A 66 8.692 -2.000 -12.472 1.00 0.55 O ATOM 1040 CB LYS A 66 9.435 -5.068 -11.551 1.00 0.55 C ATOM 1041 CG LYS A 66 7.923 -4.934 -11.470 1.00 0.91 C ATOM 1042 CD LYS A 66 7.290 -6.128 -10.768 1.00 0.96 C ATOM 1043 CE LYS A 66 7.870 -6.350 -9.378 1.00 0.73 C ATOM 1044 NZ LYS A 66 7.285 -7.549 -8.724 1.00 1.47 N ATOM 0 H LYS A 66 11.845 -4.626 -11.357 1.00 0.50 H new ATOM 0 HA LYS A 66 9.914 -4.046 -13.385 1.00 0.52 H new ATOM 0 HB2 LYS A 66 9.681 -6.017 -12.027 1.00 0.55 H new ATOM 0 HB3 LYS A 66 9.841 -5.104 -10.540 1.00 0.55 H new ATOM 0 HG2 LYS A 66 7.667 -4.019 -10.935 1.00 0.91 H new ATOM 0 HG3 LYS A 66 7.511 -4.842 -12.475 1.00 0.91 H new ATOM 0 HD2 LYS A 66 6.214 -5.973 -10.691 1.00 0.96 H new ATOM 0 HD3 LYS A 66 7.441 -7.024 -11.370 1.00 0.96 H new ATOM 0 HE2 LYS A 66 8.952 -6.465 -9.449 1.00 0.73 H new ATOM 0 HE3 LYS A 66 7.683 -5.471 -8.761 1.00 0.73 H new ATOM 0 HZ1 LYS A 66 7.944 -7.908 -8.005 1.00 1.47 H new ATOM 0 HZ2 LYS A 66 6.384 -7.293 -8.271 1.00 1.47 H new ATOM 0 HZ3 LYS A 66 7.116 -8.286 -9.438 1.00 1.47 H new ATOM 1058 N LEU A 67 10.122 -2.122 -10.749 1.00 0.41 N ATOM 1059 CA LEU A 67 9.614 -0.941 -10.080 1.00 0.39 C ATOM 1060 C LEU A 67 10.380 0.307 -10.482 1.00 0.40 C ATOM 1061 O LEU A 67 9.864 1.411 -10.387 1.00 0.46 O ATOM 1062 CB LEU A 67 9.729 -1.142 -8.587 1.00 0.34 C ATOM 1063 CG LEU A 67 9.169 -2.467 -8.066 1.00 0.33 C ATOM 1064 CD1 LEU A 67 9.578 -2.684 -6.626 1.00 0.30 C ATOM 1065 CD2 LEU A 67 7.656 -2.513 -8.212 1.00 0.37 C ATOM 0 H LEU A 67 10.932 -2.544 -10.295 1.00 0.41 H new ATOM 0 HA LEU A 67 8.574 -0.800 -10.373 1.00 0.39 H new ATOM 0 HB2 LEU A 67 10.780 -1.074 -8.307 1.00 0.34 H new ATOM 0 HB3 LEU A 67 9.212 -0.324 -8.085 1.00 0.34 H new ATOM 0 HG LEU A 67 9.587 -3.274 -8.667 1.00 0.33 H new ATOM 0 HD11 LEU A 67 9.171 -3.631 -6.271 1.00 0.30 H new ATOM 0 HD12 LEU A 67 10.666 -2.707 -6.556 1.00 0.30 H new ATOM 0 HD13 LEU A 67 9.192 -1.870 -6.012 1.00 0.30 H new ATOM 0 HD21 LEU A 67 7.283 -3.465 -7.834 1.00 0.37 H new ATOM 0 HD22 LEU A 67 7.211 -1.697 -7.643 1.00 0.37 H new ATOM 0 HD23 LEU A 67 7.389 -2.410 -9.264 1.00 0.37 H new ATOM 1077 N ASP A 68 11.626 0.131 -10.894 1.00 0.40 N ATOM 1078 CA ASP A 68 12.469 1.244 -11.329 1.00 0.42 C ATOM 1079 C ASP A 68 11.961 1.791 -12.649 1.00 0.52 C ATOM 1080 O ASP A 68 12.566 1.641 -13.711 1.00 0.56 O ATOM 1081 CB ASP A 68 13.933 0.807 -11.427 1.00 0.43 C ATOM 1082 CG ASP A 68 14.850 1.870 -12.016 1.00 0.46 C ATOM 1083 OD1 ASP A 68 14.864 3.017 -11.515 1.00 1.23 O ATOM 1084 OD2 ASP A 68 15.577 1.555 -12.979 1.00 1.13 O ATOM 0 H ASP A 68 12.083 -0.780 -10.938 1.00 0.40 H new ATOM 0 HA ASP A 68 12.417 2.042 -10.588 1.00 0.42 H new ATOM 0 HB2 ASP A 68 14.291 0.541 -10.432 1.00 0.43 H new ATOM 0 HB3 ASP A 68 13.994 -0.093 -12.039 1.00 0.43 H new ATOM 1089 N THR A 69 10.803 2.391 -12.552 1.00 0.59 N ATOM 1090 CA THR A 69 10.145 3.013 -13.665 1.00 0.74 C ATOM 1091 C THR A 69 10.815 4.349 -13.968 1.00 0.84 C ATOM 1092 O THR A 69 10.619 4.949 -15.025 1.00 0.99 O ATOM 1093 CB THR A 69 8.663 3.204 -13.318 1.00 0.79 C ATOM 1094 OG1 THR A 69 7.860 3.170 -14.507 1.00 0.90 O ATOM 1095 CG2 THR A 69 8.444 4.519 -12.589 1.00 0.83 C ATOM 0 H THR A 69 10.283 2.461 -11.678 1.00 0.59 H new ATOM 0 HA THR A 69 10.220 2.386 -14.553 1.00 0.74 H new ATOM 0 HB THR A 69 8.364 2.386 -12.662 1.00 0.79 H new ATOM 0 HG1 THR A 69 6.917 3.292 -14.269 1.00 0.90 H new ATOM 0 HG21 THR A 69 7.386 4.633 -12.353 1.00 0.83 H new ATOM 0 HG22 THR A 69 9.024 4.524 -11.666 1.00 0.83 H new ATOM 0 HG23 THR A 69 8.765 5.345 -13.224 1.00 0.83 H new ATOM 1103 N ASN A 70 11.627 4.788 -13.017 1.00 0.80 N ATOM 1104 CA ASN A 70 12.370 6.027 -13.136 1.00 0.94 C ATOM 1105 C ASN A 70 13.654 5.767 -13.906 1.00 0.86 C ATOM 1106 O ASN A 70 14.367 6.687 -14.311 1.00 0.97 O ATOM 1107 CB ASN A 70 12.675 6.563 -11.741 1.00 1.01 C ATOM 1108 CG ASN A 70 13.001 8.044 -11.730 1.00 1.25 C ATOM 1109 OD1 ASN A 70 14.161 8.438 -11.840 1.00 1.46 O ATOM 1110 ND2 ASN A 70 11.979 8.876 -11.588 1.00 1.66 N ATOM 0 H ASN A 70 11.787 4.291 -12.141 1.00 0.80 H new ATOM 0 HA ASN A 70 11.783 6.770 -13.676 1.00 0.94 H new ATOM 0 HB2 ASN A 70 11.818 6.381 -11.093 1.00 1.01 H new ATOM 0 HB3 ASN A 70 13.515 6.009 -11.321 1.00 1.01 H new ATOM 0 HD21 ASN A 70 12.140 9.883 -11.567 1.00 1.66 H new ATOM 0 HD22 ASN A 70 11.031 8.509 -11.500 1.00 1.66 H new ATOM 1117 N SER A 71 13.907 4.473 -14.104 1.00 0.70 N ATOM 1118 CA SER A 71 15.036 3.957 -14.871 1.00 0.66 C ATOM 1119 C SER A 71 16.363 4.568 -14.436 1.00 0.61 C ATOM 1120 O SER A 71 17.224 4.871 -15.263 1.00 0.65 O ATOM 1121 CB SER A 71 14.804 4.138 -16.380 1.00 0.82 C ATOM 1122 OG SER A 71 14.421 5.468 -16.699 1.00 1.47 O ATOM 0 H SER A 71 13.314 3.736 -13.723 1.00 0.70 H new ATOM 0 HA SER A 71 15.102 2.889 -14.662 1.00 0.66 H new ATOM 0 HB2 SER A 71 15.715 3.882 -16.921 1.00 0.82 H new ATOM 0 HB3 SER A 71 14.030 3.447 -16.714 1.00 0.82 H new ATOM 0 HG SER A 71 14.730 6.075 -15.994 1.00 1.47 H new ATOM 1128 N ASP A 72 16.527 4.718 -13.133 1.00 0.58 N ATOM 1129 CA ASP A 72 17.759 5.256 -12.575 1.00 0.65 C ATOM 1130 C ASP A 72 18.391 4.231 -11.648 1.00 0.56 C ATOM 1131 O ASP A 72 19.577 4.300 -11.330 1.00 0.66 O ATOM 1132 CB ASP A 72 17.485 6.558 -11.812 1.00 0.80 C ATOM 1133 CG ASP A 72 18.748 7.178 -11.236 1.00 0.93 C ATOM 1134 OD1 ASP A 72 19.497 7.838 -11.990 1.00 1.56 O ATOM 1135 OD2 ASP A 72 18.996 7.026 -10.022 1.00 1.53 O ATOM 0 H ASP A 72 15.821 4.474 -12.438 1.00 0.58 H new ATOM 0 HA ASP A 72 18.446 5.476 -13.392 1.00 0.65 H new ATOM 0 HB2 ASP A 72 17.007 7.273 -12.482 1.00 0.80 H new ATOM 0 HB3 ASP A 72 16.782 6.359 -11.003 1.00 0.80 H new ATOM 1140 N GLY A 73 17.593 3.259 -11.241 1.00 0.45 N ATOM 1141 CA GLY A 73 18.057 2.270 -10.300 1.00 0.46 C ATOM 1142 C GLY A 73 17.525 2.550 -8.920 1.00 0.41 C ATOM 1143 O GLY A 73 18.069 2.077 -7.921 1.00 0.44 O ATOM 0 H GLY A 73 16.628 3.139 -11.548 1.00 0.45 H new ATOM 0 HA2 GLY A 73 17.739 1.278 -10.622 1.00 0.46 H new ATOM 0 HA3 GLY A 73 19.147 2.265 -10.280 1.00 0.46 H new ATOM 1147 N GLN A 74 16.459 3.335 -8.867 1.00 0.38 N ATOM 1148 CA GLN A 74 15.845 3.706 -7.614 1.00 0.37 C ATOM 1149 C GLN A 74 14.346 3.499 -7.702 1.00 0.36 C ATOM 1150 O GLN A 74 13.772 3.464 -8.789 1.00 0.39 O ATOM 1151 CB GLN A 74 16.111 5.167 -7.269 1.00 0.38 C ATOM 1152 CG GLN A 74 17.569 5.575 -7.254 1.00 0.42 C ATOM 1153 CD GLN A 74 17.775 6.921 -6.593 1.00 0.50 C ATOM 1154 OE1 GLN A 74 17.753 7.961 -7.246 1.00 1.03 O ATOM 1155 NE2 GLN A 74 17.948 6.911 -5.280 1.00 1.25 N ATOM 0 H GLN A 74 16.002 3.728 -9.690 1.00 0.38 H new ATOM 0 HA GLN A 74 16.278 3.078 -6.836 1.00 0.37 H new ATOM 0 HB2 GLN A 74 15.583 5.794 -7.987 1.00 0.38 H new ATOM 0 HB3 GLN A 74 15.683 5.375 -6.288 1.00 0.38 H new ATOM 0 HG2 GLN A 74 18.151 4.819 -6.727 1.00 0.42 H new ATOM 0 HG3 GLN A 74 17.946 5.612 -8.276 1.00 0.42 H new ATOM 0 HE21 GLN A 74 17.960 6.025 -4.774 1.00 1.25 H new ATOM 0 HE22 GLN A 74 18.069 7.789 -4.775 1.00 1.25 H new ATOM 1164 N LEU A 75 13.722 3.392 -6.554 1.00 0.33 N ATOM 1165 CA LEU A 75 12.291 3.179 -6.480 1.00 0.32 C ATOM 1166 C LEU A 75 11.619 4.349 -5.830 1.00 0.32 C ATOM 1167 O LEU A 75 11.866 4.655 -4.670 1.00 0.32 O ATOM 1168 CB LEU A 75 11.978 1.913 -5.700 1.00 0.31 C ATOM 1169 CG LEU A 75 12.629 0.655 -6.258 1.00 0.33 C ATOM 1170 CD1 LEU A 75 12.100 -0.581 -5.553 1.00 0.35 C ATOM 1171 CD2 LEU A 75 12.401 0.582 -7.756 1.00 0.35 C ATOM 0 H LEU A 75 14.186 3.449 -5.647 1.00 0.33 H new ATOM 0 HA LEU A 75 11.913 3.071 -7.497 1.00 0.32 H new ATOM 0 HB2 LEU A 75 12.301 2.047 -4.668 1.00 0.31 H new ATOM 0 HB3 LEU A 75 10.898 1.770 -5.680 1.00 0.31 H new ATOM 0 HG LEU A 75 13.703 0.697 -6.077 1.00 0.33 H new ATOM 0 HD11 LEU A 75 12.578 -1.469 -5.967 1.00 0.35 H new ATOM 0 HD12 LEU A 75 12.320 -0.514 -4.487 1.00 0.35 H new ATOM 0 HD13 LEU A 75 11.022 -0.649 -5.698 1.00 0.35 H new ATOM 0 HD21 LEU A 75 12.868 -0.320 -8.152 1.00 0.35 H new ATOM 0 HD22 LEU A 75 11.331 0.555 -7.960 1.00 0.35 H new ATOM 0 HD23 LEU A 75 12.840 1.458 -8.234 1.00 0.35 H new ATOM 1183 N ASP A 76 10.761 4.996 -6.572 1.00 0.35 N ATOM 1184 CA ASP A 76 10.120 6.178 -6.060 1.00 0.36 C ATOM 1185 C ASP A 76 8.868 5.793 -5.316 1.00 0.33 C ATOM 1186 O ASP A 76 8.489 4.628 -5.296 1.00 0.32 O ATOM 1187 CB ASP A 76 9.834 7.187 -7.169 1.00 0.44 C ATOM 1188 CG ASP A 76 8.564 6.906 -7.957 1.00 0.91 C ATOM 1189 OD1 ASP A 76 7.473 7.309 -7.504 1.00 1.45 O ATOM 1190 OD2 ASP A 76 8.659 6.306 -9.047 1.00 1.68 O ATOM 0 H ASP A 76 10.492 4.730 -7.519 1.00 0.35 H new ATOM 0 HA ASP A 76 10.798 6.671 -5.363 1.00 0.36 H new ATOM 0 HB2 ASP A 76 9.763 8.182 -6.730 1.00 0.44 H new ATOM 0 HB3 ASP A 76 10.679 7.202 -7.857 1.00 0.44 H new ATOM 1195 N PHE A 77 8.257 6.771 -4.693 1.00 0.41 N ATOM 1196 CA PHE A 77 7.123 6.549 -3.819 1.00 0.49 C ATOM 1197 C PHE A 77 6.039 5.701 -4.473 1.00 0.39 C ATOM 1198 O PHE A 77 5.569 4.730 -3.886 1.00 0.39 O ATOM 1199 CB PHE A 77 6.583 7.894 -3.347 1.00 0.72 C ATOM 1200 CG PHE A 77 6.258 8.891 -4.433 1.00 1.76 C ATOM 1201 CD1 PHE A 77 7.264 9.540 -5.134 1.00 2.66 C ATOM 1202 CD2 PHE A 77 4.943 9.192 -4.734 1.00 2.56 C ATOM 1203 CE1 PHE A 77 6.960 10.462 -6.115 1.00 3.77 C ATOM 1204 CE2 PHE A 77 4.633 10.113 -5.714 1.00 3.67 C ATOM 1205 CZ PHE A 77 5.644 10.748 -6.406 1.00 4.15 C ATOM 0 H PHE A 77 8.531 7.750 -4.776 1.00 0.41 H new ATOM 0 HA PHE A 77 7.461 5.976 -2.955 1.00 0.49 H new ATOM 0 HB2 PHE A 77 5.681 7.716 -2.762 1.00 0.72 H new ATOM 0 HB3 PHE A 77 7.315 8.343 -2.676 1.00 0.72 H new ATOM 0 HD1 PHE A 77 8.297 9.321 -4.909 1.00 2.66 H new ATOM 0 HD2 PHE A 77 4.147 8.700 -4.195 1.00 2.56 H new ATOM 0 HE1 PHE A 77 7.753 10.959 -6.654 1.00 3.77 H new ATOM 0 HE2 PHE A 77 3.601 10.336 -5.939 1.00 3.67 H new ATOM 0 HZ PHE A 77 5.404 11.468 -7.174 1.00 4.15 H new ATOM 1215 N SER A 78 5.676 6.052 -5.689 1.00 0.39 N ATOM 1216 CA SER A 78 4.678 5.317 -6.444 1.00 0.38 C ATOM 1217 C SER A 78 5.128 3.878 -6.678 1.00 0.38 C ATOM 1218 O SER A 78 4.328 2.946 -6.638 1.00 0.44 O ATOM 1219 CB SER A 78 4.451 6.002 -7.790 1.00 0.45 C ATOM 1220 OG SER A 78 4.894 7.352 -7.754 1.00 1.31 O ATOM 0 H SER A 78 6.064 6.855 -6.184 1.00 0.39 H new ATOM 0 HA SER A 78 3.750 5.304 -5.872 1.00 0.38 H new ATOM 0 HB2 SER A 78 4.984 5.461 -8.572 1.00 0.45 H new ATOM 0 HB3 SER A 78 3.392 5.969 -8.045 1.00 0.45 H new ATOM 0 HG SER A 78 5.839 7.393 -8.009 1.00 1.31 H new ATOM 1226 N GLU A 79 6.421 3.701 -6.887 1.00 0.36 N ATOM 1227 CA GLU A 79 6.947 2.410 -7.300 1.00 0.42 C ATOM 1228 C GLU A 79 7.256 1.527 -6.104 1.00 0.33 C ATOM 1229 O GLU A 79 7.144 0.304 -6.176 1.00 0.33 O ATOM 1230 CB GLU A 79 8.172 2.595 -8.174 1.00 0.51 C ATOM 1231 CG GLU A 79 7.866 3.371 -9.441 1.00 0.64 C ATOM 1232 CD GLU A 79 6.622 2.868 -10.155 1.00 1.81 C ATOM 1233 OE1 GLU A 79 6.663 1.762 -10.729 1.00 2.54 O ATOM 1234 OE2 GLU A 79 5.595 3.585 -10.148 1.00 2.57 O ATOM 0 H GLU A 79 7.124 4.432 -6.778 1.00 0.36 H new ATOM 0 HA GLU A 79 6.179 1.904 -7.885 1.00 0.42 H new ATOM 0 HB2 GLU A 79 8.943 3.118 -7.608 1.00 0.51 H new ATOM 0 HB3 GLU A 79 8.577 1.618 -8.438 1.00 0.51 H new ATOM 0 HG2 GLU A 79 7.736 4.425 -9.194 1.00 0.64 H new ATOM 0 HG3 GLU A 79 8.719 3.305 -10.117 1.00 0.64 H new ATOM 1241 N PHE A 80 7.634 2.150 -5.002 1.00 0.28 N ATOM 1242 CA PHE A 80 7.761 1.443 -3.742 1.00 0.25 C ATOM 1243 C PHE A 80 6.399 0.904 -3.343 1.00 0.23 C ATOM 1244 O PHE A 80 6.280 -0.150 -2.731 1.00 0.26 O ATOM 1245 CB PHE A 80 8.288 2.372 -2.653 1.00 0.31 C ATOM 1246 CG PHE A 80 8.340 1.727 -1.299 1.00 0.71 C ATOM 1247 CD1 PHE A 80 9.307 0.784 -1.007 1.00 1.26 C ATOM 1248 CD2 PHE A 80 7.410 2.056 -0.324 1.00 1.60 C ATOM 1249 CE1 PHE A 80 9.351 0.180 0.230 1.00 1.56 C ATOM 1250 CE2 PHE A 80 7.451 1.456 0.917 1.00 1.98 C ATOM 1251 CZ PHE A 80 8.422 0.514 1.194 1.00 1.64 C ATOM 0 H PHE A 80 7.858 3.144 -4.955 1.00 0.28 H new ATOM 0 HA PHE A 80 8.468 0.622 -3.862 1.00 0.25 H new ATOM 0 HB2 PHE A 80 9.288 2.710 -2.926 1.00 0.31 H new ATOM 0 HB3 PHE A 80 7.655 3.258 -2.602 1.00 0.31 H new ATOM 0 HD1 PHE A 80 10.037 0.518 -1.757 1.00 1.26 H new ATOM 0 HD2 PHE A 80 6.646 2.789 -0.539 1.00 1.60 H new ATOM 0 HE1 PHE A 80 10.113 -0.555 0.445 1.00 1.56 H new ATOM 0 HE2 PHE A 80 6.725 1.722 1.671 1.00 1.98 H new ATOM 0 HZ PHE A 80 8.454 0.039 2.164 1.00 1.64 H new ATOM 1261 N LEU A 81 5.373 1.647 -3.709 1.00 0.25 N ATOM 1262 CA LEU A 81 4.009 1.246 -3.443 1.00 0.26 C ATOM 1263 C LEU A 81 3.539 0.216 -4.451 1.00 0.26 C ATOM 1264 O LEU A 81 2.628 -0.555 -4.175 1.00 0.27 O ATOM 1265 CB LEU A 81 3.106 2.460 -3.461 1.00 0.29 C ATOM 1266 CG LEU A 81 3.380 3.459 -2.339 1.00 0.28 C ATOM 1267 CD1 LEU A 81 2.504 4.679 -2.508 1.00 0.34 C ATOM 1268 CD2 LEU A 81 3.175 2.814 -0.964 1.00 0.29 C ATOM 0 H LEU A 81 5.462 2.539 -4.196 1.00 0.25 H new ATOM 0 HA LEU A 81 3.967 0.787 -2.455 1.00 0.26 H new ATOM 0 HB2 LEU A 81 3.217 2.967 -4.419 1.00 0.29 H new ATOM 0 HB3 LEU A 81 2.070 2.129 -3.393 1.00 0.29 H new ATOM 0 HG LEU A 81 4.422 3.772 -2.398 1.00 0.28 H new ATOM 0 HD11 LEU A 81 2.706 5.386 -1.704 1.00 0.34 H new ATOM 0 HD12 LEU A 81 2.718 5.150 -3.467 1.00 0.34 H new ATOM 0 HD13 LEU A 81 1.456 4.382 -2.475 1.00 0.34 H new ATOM 0 HD21 LEU A 81 3.377 3.548 -0.184 1.00 0.29 H new ATOM 0 HD22 LEU A 81 2.146 2.464 -0.876 1.00 0.29 H new ATOM 0 HD23 LEU A 81 3.856 1.970 -0.853 1.00 0.29 H new ATOM 1280 N ASN A 82 4.157 0.208 -5.622 1.00 0.26 N ATOM 1281 CA ASN A 82 3.932 -0.864 -6.574 1.00 0.26 C ATOM 1282 C ASN A 82 4.538 -2.142 -6.017 1.00 0.23 C ATOM 1283 O ASN A 82 4.019 -3.240 -6.212 1.00 0.25 O ATOM 1284 CB ASN A 82 4.542 -0.534 -7.942 1.00 0.30 C ATOM 1285 CG ASN A 82 3.564 0.161 -8.874 1.00 0.79 C ATOM 1286 OD1 ASN A 82 2.863 -0.489 -9.655 1.00 1.51 O ATOM 1287 ND2 ASN A 82 3.499 1.479 -8.797 1.00 1.42 N ATOM 0 H ASN A 82 4.812 0.926 -5.932 1.00 0.26 H new ATOM 0 HA ASN A 82 2.860 -0.992 -6.721 1.00 0.26 H new ATOM 0 HB2 ASN A 82 5.416 0.102 -7.801 1.00 0.30 H new ATOM 0 HB3 ASN A 82 4.890 -1.455 -8.410 1.00 0.30 H new ATOM 0 HD21 ASN A 82 2.853 1.994 -9.396 1.00 1.42 H new ATOM 0 HD22 ASN A 82 4.095 1.981 -8.139 1.00 1.42 H new ATOM 1294 N LEU A 83 5.652 -1.973 -5.319 1.00 0.23 N ATOM 1295 CA LEU A 83 6.251 -3.044 -4.544 1.00 0.24 C ATOM 1296 C LEU A 83 5.302 -3.502 -3.450 1.00 0.23 C ATOM 1297 O LEU A 83 4.987 -4.686 -3.345 1.00 0.25 O ATOM 1298 CB LEU A 83 7.544 -2.564 -3.902 1.00 0.27 C ATOM 1299 CG LEU A 83 7.942 -3.342 -2.654 1.00 0.31 C ATOM 1300 CD1 LEU A 83 8.450 -4.723 -3.027 1.00 0.35 C ATOM 1301 CD2 LEU A 83 8.966 -2.580 -1.837 1.00 0.36 C ATOM 0 H LEU A 83 6.163 -1.091 -5.276 1.00 0.23 H new ATOM 0 HA LEU A 83 6.459 -3.876 -5.217 1.00 0.24 H new ATOM 0 HB2 LEU A 83 8.349 -2.634 -4.634 1.00 0.27 H new ATOM 0 HB3 LEU A 83 7.440 -1.510 -3.643 1.00 0.27 H new ATOM 0 HG LEU A 83 7.055 -3.465 -2.032 1.00 0.31 H new ATOM 0 HD11 LEU A 83 8.730 -5.264 -2.123 1.00 0.35 H new ATOM 0 HD12 LEU A 83 7.666 -5.270 -3.550 1.00 0.35 H new ATOM 0 HD13 LEU A 83 9.320 -4.627 -3.676 1.00 0.35 H new ATOM 0 HD21 LEU A 83 9.231 -3.160 -0.953 1.00 0.36 H new ATOM 0 HD22 LEU A 83 9.858 -2.409 -2.439 1.00 0.36 H new ATOM 0 HD23 LEU A 83 8.547 -1.622 -1.530 1.00 0.36 H new ATOM 1313 N ILE A 84 4.873 -2.549 -2.628 1.00 0.24 N ATOM 1314 CA ILE A 84 3.916 -2.808 -1.563 1.00 0.26 C ATOM 1315 C ILE A 84 2.688 -3.514 -2.124 1.00 0.27 C ATOM 1316 O ILE A 84 2.108 -4.386 -1.479 1.00 0.29 O ATOM 1317 CB ILE A 84 3.511 -1.491 -0.860 1.00 0.29 C ATOM 1318 CG1 ILE A 84 4.706 -0.890 -0.114 1.00 0.55 C ATOM 1319 CG2 ILE A 84 2.338 -1.704 0.090 1.00 0.47 C ATOM 1320 CD1 ILE A 84 5.296 -1.795 0.944 1.00 0.62 C ATOM 0 H ILE A 84 5.180 -1.578 -2.683 1.00 0.24 H new ATOM 0 HA ILE A 84 4.386 -3.456 -0.823 1.00 0.26 H new ATOM 0 HB ILE A 84 3.191 -0.788 -1.630 1.00 0.29 H new ATOM 0 HG12 ILE A 84 5.483 -0.640 -0.837 1.00 0.55 H new ATOM 0 HG13 ILE A 84 4.395 0.044 0.355 1.00 0.55 H new ATOM 0 HG21 ILE A 84 2.080 -0.759 0.567 1.00 0.47 H new ATOM 0 HG22 ILE A 84 1.479 -2.075 -0.470 1.00 0.47 H new ATOM 0 HG23 ILE A 84 2.615 -2.431 0.853 1.00 0.47 H new ATOM 0 HD11 ILE A 84 6.137 -1.294 1.424 1.00 0.62 H new ATOM 0 HD12 ILE A 84 4.536 -2.025 1.691 1.00 0.62 H new ATOM 0 HD13 ILE A 84 5.641 -2.719 0.481 1.00 0.62 H new ATOM 1332 N GLY A 85 2.324 -3.148 -3.345 1.00 0.26 N ATOM 1333 CA GLY A 85 1.261 -3.822 -4.043 1.00 0.29 C ATOM 1334 C GLY A 85 1.600 -5.270 -4.307 1.00 0.29 C ATOM 1335 O GLY A 85 0.820 -6.150 -3.985 1.00 0.33 O ATOM 0 H GLY A 85 2.756 -2.385 -3.866 1.00 0.26 H new ATOM 0 HA2 GLY A 85 0.345 -3.763 -3.456 1.00 0.29 H new ATOM 0 HA3 GLY A 85 1.067 -3.315 -4.988 1.00 0.29 H new ATOM 1339 N GLY A 86 2.796 -5.522 -4.838 1.00 0.28 N ATOM 1340 CA GLY A 86 3.177 -6.879 -5.193 1.00 0.31 C ATOM 1341 C GLY A 86 3.303 -7.748 -3.969 1.00 0.29 C ATOM 1342 O GLY A 86 3.052 -8.955 -4.004 1.00 0.35 O ATOM 0 H GLY A 86 3.505 -4.813 -5.028 1.00 0.28 H new ATOM 0 HA2 GLY A 86 2.434 -7.303 -5.868 1.00 0.31 H new ATOM 0 HA3 GLY A 86 4.125 -6.864 -5.731 1.00 0.31 H new ATOM 1346 N LEU A 87 3.692 -7.111 -2.884 1.00 0.25 N ATOM 1347 CA LEU A 87 3.790 -7.749 -1.589 1.00 0.25 C ATOM 1348 C LEU A 87 2.403 -8.091 -1.069 1.00 0.26 C ATOM 1349 O LEU A 87 2.067 -9.260 -0.865 1.00 0.29 O ATOM 1350 CB LEU A 87 4.471 -6.792 -0.621 1.00 0.25 C ATOM 1351 CG LEU A 87 5.978 -6.619 -0.793 1.00 0.26 C ATOM 1352 CD1 LEU A 87 6.431 -5.340 -0.116 1.00 0.26 C ATOM 1353 CD2 LEU A 87 6.722 -7.806 -0.204 1.00 0.35 C ATOM 0 H LEU A 87 3.952 -6.125 -2.877 1.00 0.25 H new ATOM 0 HA LEU A 87 4.369 -8.668 -1.679 1.00 0.25 H new ATOM 0 HB2 LEU A 87 4.000 -5.814 -0.718 1.00 0.25 H new ATOM 0 HB3 LEU A 87 4.280 -7.138 0.395 1.00 0.25 H new ATOM 0 HG LEU A 87 6.202 -6.562 -1.858 1.00 0.26 H new ATOM 0 HD11 LEU A 87 7.507 -5.223 -0.243 1.00 0.26 H new ATOM 0 HD12 LEU A 87 5.918 -4.489 -0.565 1.00 0.26 H new ATOM 0 HD13 LEU A 87 6.194 -5.387 0.947 1.00 0.26 H new ATOM 0 HD21 LEU A 87 7.795 -7.665 -0.336 1.00 0.35 H new ATOM 0 HD22 LEU A 87 6.495 -7.887 0.859 1.00 0.35 H new ATOM 0 HD23 LEU A 87 6.411 -8.719 -0.712 1.00 0.35 H new ATOM 1365 N ALA A 88 1.593 -7.054 -0.895 1.00 0.25 N ATOM 1366 CA ALA A 88 0.257 -7.189 -0.337 1.00 0.27 C ATOM 1367 C ALA A 88 -0.589 -8.138 -1.144 1.00 0.30 C ATOM 1368 O ALA A 88 -1.371 -8.900 -0.600 1.00 0.35 O ATOM 1369 CB ALA A 88 -0.443 -5.854 -0.306 1.00 0.27 C ATOM 0 H ALA A 88 1.846 -6.096 -1.138 1.00 0.25 H new ATOM 0 HA ALA A 88 0.378 -7.580 0.673 1.00 0.27 H new ATOM 0 HB1 ALA A 88 -1.441 -5.976 0.115 1.00 0.27 H new ATOM 0 HB2 ALA A 88 0.128 -5.158 0.309 1.00 0.27 H new ATOM 0 HB3 ALA A 88 -0.522 -5.461 -1.320 1.00 0.27 H new ATOM 1375 N MET A 89 -0.440 -8.059 -2.449 1.00 0.29 N ATOM 1376 CA MET A 89 -1.216 -8.874 -3.352 1.00 0.33 C ATOM 1377 C MET A 89 -0.951 -10.346 -3.117 1.00 0.34 C ATOM 1378 O MET A 89 -1.876 -11.152 -3.092 1.00 0.39 O ATOM 1379 CB MET A 89 -0.909 -8.499 -4.794 1.00 0.35 C ATOM 1380 CG MET A 89 -1.573 -7.208 -5.223 1.00 0.42 C ATOM 1381 SD MET A 89 -1.439 -6.923 -7.001 1.00 1.03 S ATOM 1382 CE MET A 89 0.335 -6.908 -7.235 1.00 1.89 C ATOM 0 H MET A 89 0.219 -7.431 -2.909 1.00 0.29 H new ATOM 0 HA MET A 89 -2.273 -8.688 -3.159 1.00 0.33 H new ATOM 0 HB2 MET A 89 0.170 -8.405 -4.917 1.00 0.35 H new ATOM 0 HB3 MET A 89 -1.236 -9.305 -5.451 1.00 0.35 H new ATOM 0 HG2 MET A 89 -2.625 -7.232 -4.940 1.00 0.42 H new ATOM 0 HG3 MET A 89 -1.118 -6.374 -4.689 1.00 0.42 H new ATOM 0 HE1 MET A 89 0.561 -6.759 -8.291 1.00 1.89 H new ATOM 0 HE2 MET A 89 0.772 -6.097 -6.652 1.00 1.89 H new ATOM 0 HE3 MET A 89 0.754 -7.859 -6.905 1.00 1.89 H new ATOM 1392 N ALA A 90 0.311 -10.683 -2.897 1.00 0.34 N ATOM 1393 CA ALA A 90 0.697 -12.060 -2.657 1.00 0.40 C ATOM 1394 C ALA A 90 0.218 -12.505 -1.284 1.00 0.42 C ATOM 1395 O ALA A 90 -0.181 -13.649 -1.090 1.00 0.49 O ATOM 1396 CB ALA A 90 2.203 -12.209 -2.779 1.00 0.46 C ATOM 0 H ALA A 90 1.084 -10.018 -2.880 1.00 0.34 H new ATOM 0 HA ALA A 90 0.228 -12.698 -3.407 1.00 0.40 H new ATOM 0 HB1 ALA A 90 2.482 -13.247 -2.597 1.00 0.46 H new ATOM 0 HB2 ALA A 90 2.517 -11.919 -3.782 1.00 0.46 H new ATOM 0 HB3 ALA A 90 2.693 -11.568 -2.046 1.00 0.46 H new ATOM 1402 N CYS A 91 0.233 -11.574 -0.340 1.00 0.41 N ATOM 1403 CA CYS A 91 -0.198 -11.851 1.021 1.00 0.47 C ATOM 1404 C CYS A 91 -1.719 -11.989 1.096 1.00 0.45 C ATOM 1405 O CYS A 91 -2.235 -12.818 1.836 1.00 0.51 O ATOM 1406 CB CYS A 91 0.293 -10.741 1.955 1.00 0.55 C ATOM 1407 SG CYS A 91 2.082 -10.480 1.901 1.00 1.76 S ATOM 0 H CYS A 91 0.542 -10.614 -0.495 1.00 0.41 H new ATOM 0 HA CYS A 91 0.236 -12.799 1.339 1.00 0.47 H new ATOM 0 HB2 CYS A 91 -0.209 -9.810 1.692 1.00 0.55 H new ATOM 0 HB3 CYS A 91 0.001 -10.983 2.977 1.00 0.55 H new ATOM 0 HG CYS A 91 2.405 -9.918 0.774 1.00 1.76 H new ATOM 1413 N HIS A 92 -2.428 -11.179 0.318 1.00 0.41 N ATOM 1414 CA HIS A 92 -3.882 -11.260 0.243 1.00 0.46 C ATOM 1415 C HIS A 92 -4.279 -12.516 -0.510 1.00 0.45 C ATOM 1416 O HIS A 92 -5.257 -13.173 -0.170 1.00 0.49 O ATOM 1417 CB HIS A 92 -4.465 -10.023 -0.457 1.00 0.54 C ATOM 1418 CG HIS A 92 -5.963 -10.047 -0.596 1.00 1.21 C ATOM 1419 ND1 HIS A 92 -6.609 -10.468 -1.744 1.00 2.13 N ATOM 1420 CD2 HIS A 92 -6.944 -9.695 0.274 1.00 1.96 C ATOM 1421 CE1 HIS A 92 -7.916 -10.371 -1.574 1.00 2.74 C ATOM 1422 NE2 HIS A 92 -8.145 -9.907 -0.361 1.00 2.62 N ATOM 0 H HIS A 92 -2.017 -10.456 -0.272 1.00 0.41 H new ATOM 0 HA HIS A 92 -4.282 -11.297 1.256 1.00 0.46 H new ATOM 0 HB2 HIS A 92 -4.177 -9.133 0.102 1.00 0.54 H new ATOM 0 HB3 HIS A 92 -4.020 -9.936 -1.448 1.00 0.54 H new ATOM 0 HD2 HIS A 92 -6.807 -9.319 1.277 1.00 1.96 H new ATOM 0 HE1 HIS A 92 -8.669 -10.628 -2.304 1.00 2.74 H new ATOM 0 HE2 HIS A 92 -9.066 -9.733 0.042 1.00 2.62 H new ATOM 1431 N ASP A 93 -3.514 -12.829 -1.541 1.00 0.45 N ATOM 1432 CA ASP A 93 -3.713 -14.049 -2.303 1.00 0.52 C ATOM 1433 C ASP A 93 -3.533 -15.259 -1.393 1.00 0.56 C ATOM 1434 O ASP A 93 -4.344 -16.183 -1.397 1.00 0.65 O ATOM 1435 CB ASP A 93 -2.727 -14.093 -3.471 1.00 0.54 C ATOM 1436 CG ASP A 93 -2.844 -15.362 -4.292 1.00 0.93 C ATOM 1437 OD1 ASP A 93 -3.759 -15.448 -5.134 1.00 1.75 O ATOM 1438 OD2 ASP A 93 -2.011 -16.272 -4.108 1.00 1.48 O ATOM 0 H ASP A 93 -2.743 -12.249 -1.872 1.00 0.45 H new ATOM 0 HA ASP A 93 -4.726 -14.069 -2.706 1.00 0.52 H new ATOM 0 HB2 ASP A 93 -2.897 -13.231 -4.116 1.00 0.54 H new ATOM 0 HB3 ASP A 93 -1.711 -14.007 -3.086 1.00 0.54 H new ATOM 1443 N SER A 94 -2.484 -15.216 -0.579 1.00 0.54 N ATOM 1444 CA SER A 94 -2.236 -16.246 0.415 1.00 0.60 C ATOM 1445 C SER A 94 -3.371 -16.283 1.423 1.00 0.63 C ATOM 1446 O SER A 94 -3.836 -17.342 1.803 1.00 0.70 O ATOM 1447 CB SER A 94 -0.930 -15.965 1.149 1.00 0.65 C ATOM 1448 OG SER A 94 0.164 -15.900 0.249 1.00 1.27 O ATOM 0 H SER A 94 -1.788 -14.471 -0.591 1.00 0.54 H new ATOM 0 HA SER A 94 -2.168 -17.207 -0.095 1.00 0.60 H new ATOM 0 HB2 SER A 94 -1.012 -15.024 1.694 1.00 0.65 H new ATOM 0 HB3 SER A 94 -0.750 -16.746 1.887 1.00 0.65 H new ATOM 0 HG SER A 94 0.208 -15.005 -0.148 1.00 1.27 H new ATOM 1454 N PHE A 95 -3.815 -15.102 1.821 1.00 0.60 N ATOM 1455 CA PHE A 95 -4.858 -14.939 2.822 1.00 0.66 C ATOM 1456 C PHE A 95 -6.123 -15.676 2.399 1.00 0.72 C ATOM 1457 O PHE A 95 -6.785 -16.312 3.212 1.00 0.84 O ATOM 1458 CB PHE A 95 -5.132 -13.441 2.995 1.00 0.64 C ATOM 1459 CG PHE A 95 -6.138 -13.088 4.048 1.00 0.78 C ATOM 1460 CD1 PHE A 95 -5.850 -13.255 5.393 1.00 1.80 C ATOM 1461 CD2 PHE A 95 -7.368 -12.565 3.690 1.00 1.30 C ATOM 1462 CE1 PHE A 95 -6.776 -12.910 6.359 1.00 2.35 C ATOM 1463 CE2 PHE A 95 -8.294 -12.217 4.649 1.00 1.76 C ATOM 1464 CZ PHE A 95 -7.999 -12.389 5.986 1.00 2.08 C ATOM 0 H PHE A 95 -3.458 -14.220 1.455 1.00 0.60 H new ATOM 0 HA PHE A 95 -4.533 -15.364 3.772 1.00 0.66 H new ATOM 0 HB2 PHE A 95 -4.192 -12.942 3.233 1.00 0.64 H new ATOM 0 HB3 PHE A 95 -5.474 -13.039 2.041 1.00 0.64 H new ATOM 0 HD1 PHE A 95 -4.893 -13.659 5.689 1.00 1.80 H new ATOM 0 HD2 PHE A 95 -7.605 -12.428 2.645 1.00 1.30 H new ATOM 0 HE1 PHE A 95 -6.543 -13.048 7.405 1.00 2.35 H new ATOM 0 HE2 PHE A 95 -9.250 -11.810 4.355 1.00 1.76 H new ATOM 0 HZ PHE A 95 -8.723 -12.117 6.739 1.00 2.08 H new ATOM 1737 N PRO B 7 5.860 -9.306 11.755 1.00 0.70 N ATOM 1738 CA PRO B 7 5.951 -8.386 10.617 1.00 0.54 C ATOM 1739 C PRO B 7 6.582 -7.056 10.991 1.00 0.45 C ATOM 1740 O PRO B 7 6.642 -6.683 12.168 1.00 0.57 O ATOM 1741 CB PRO B 7 4.485 -8.175 10.267 1.00 0.62 C ATOM 1742 CG PRO B 7 3.841 -8.167 11.594 1.00 0.75 C ATOM 1743 CD PRO B 7 4.502 -9.298 12.338 1.00 0.82 C ATOM 0 HA PRO B 7 6.571 -8.779 9.811 1.00 0.54 H new ATOM 0 HB2 PRO B 7 4.326 -7.239 9.732 1.00 0.62 H new ATOM 0 HB3 PRO B 7 4.100 -8.974 9.633 1.00 0.62 H new ATOM 0 HG2 PRO B 7 3.991 -7.215 12.103 1.00 0.75 H new ATOM 0 HG3 PRO B 7 2.765 -8.319 11.514 1.00 0.75 H new ATOM 0 HD2 PRO B 7 4.522 -9.121 13.413 1.00 0.82 H new ATOM 0 HD3 PRO B 7 3.986 -10.245 12.180 1.00 0.82 H new ATOM 1751 N THR B 8 7.042 -6.345 9.982 1.00 0.34 N ATOM 1752 CA THR B 8 7.572 -5.015 10.170 1.00 0.27 C ATOM 1753 C THR B 8 6.497 -3.988 9.870 1.00 0.28 C ATOM 1754 O THR B 8 5.347 -4.355 9.621 1.00 0.34 O ATOM 1755 CB THR B 8 8.770 -4.772 9.251 1.00 0.29 C ATOM 1756 OG1 THR B 8 8.322 -4.684 7.894 1.00 0.37 O ATOM 1757 CG2 THR B 8 9.769 -5.901 9.395 1.00 0.33 C ATOM 0 H THR B 8 7.058 -6.672 9.016 1.00 0.34 H new ATOM 0 HA THR B 8 7.898 -4.920 11.206 1.00 0.27 H new ATOM 0 HB THR B 8 9.255 -3.836 9.530 1.00 0.29 H new ATOM 0 HG1 THR B 8 8.932 -5.187 7.315 1.00 0.37 H new ATOM 0 HG21 THR B 8 10.619 -5.721 8.737 1.00 0.33 H new ATOM 0 HG22 THR B 8 10.114 -5.952 10.428 1.00 0.33 H new ATOM 0 HG23 THR B 8 9.294 -6.844 9.124 1.00 0.33 H new ATOM 1765 N GLU B 9 6.876 -2.715 9.866 1.00 0.28 N ATOM 1766 CA GLU B 9 5.933 -1.631 9.612 1.00 0.33 C ATOM 1767 C GLU B 9 5.175 -1.863 8.307 1.00 0.36 C ATOM 1768 O GLU B 9 3.954 -1.823 8.286 1.00 0.52 O ATOM 1769 CB GLU B 9 6.662 -0.287 9.560 1.00 0.40 C ATOM 1770 CG GLU B 9 5.720 0.907 9.570 1.00 0.56 C ATOM 1771 CD GLU B 9 4.998 1.060 10.893 1.00 1.73 C ATOM 1772 OE1 GLU B 9 5.654 1.393 11.903 1.00 2.47 O ATOM 1773 OE2 GLU B 9 3.775 0.854 10.928 1.00 2.48 O ATOM 0 H GLU B 9 7.833 -2.407 10.036 1.00 0.28 H new ATOM 0 HA GLU B 9 5.215 -1.612 10.432 1.00 0.33 H new ATOM 0 HB2 GLU B 9 7.338 -0.215 10.412 1.00 0.40 H new ATOM 0 HB3 GLU B 9 7.277 -0.249 8.661 1.00 0.40 H new ATOM 0 HG2 GLU B 9 6.286 1.815 9.361 1.00 0.56 H new ATOM 0 HG3 GLU B 9 4.988 0.796 8.770 1.00 0.56 H new ATOM 1780 N THR B 10 5.900 -2.150 7.236 1.00 0.26 N ATOM 1781 CA THR B 10 5.287 -2.366 5.932 1.00 0.27 C ATOM 1782 C THR B 10 4.477 -3.647 5.922 1.00 0.27 C ATOM 1783 O THR B 10 3.357 -3.663 5.437 1.00 0.31 O ATOM 1784 CB THR B 10 6.334 -2.391 4.789 1.00 0.27 C ATOM 1785 OG1 THR B 10 5.873 -3.199 3.702 1.00 0.40 O ATOM 1786 CG2 THR B 10 7.679 -2.907 5.277 1.00 0.26 C ATOM 0 H THR B 10 6.916 -2.239 7.244 1.00 0.26 H new ATOM 0 HA THR B 10 4.622 -1.521 5.753 1.00 0.27 H new ATOM 0 HB THR B 10 6.465 -1.365 4.444 1.00 0.27 H new ATOM 0 HG1 THR B 10 6.545 -3.202 2.989 1.00 0.40 H new ATOM 0 HG21 THR B 10 8.389 -2.911 4.450 1.00 0.26 H new ATOM 0 HG22 THR B 10 8.051 -2.259 6.071 1.00 0.26 H new ATOM 0 HG23 THR B 10 7.563 -3.921 5.660 1.00 0.26 H new ATOM 1794 N GLU B 11 5.020 -4.701 6.502 1.00 0.24 N ATOM 1795 CA GLU B 11 4.370 -6.000 6.462 1.00 0.27 C ATOM 1796 C GLU B 11 3.049 -5.971 7.208 1.00 0.30 C ATOM 1797 O GLU B 11 2.032 -6.450 6.712 1.00 0.32 O ATOM 1798 CB GLU B 11 5.282 -7.055 7.051 1.00 0.29 C ATOM 1799 CG GLU B 11 6.661 -7.002 6.454 1.00 0.41 C ATOM 1800 CD GLU B 11 7.537 -8.161 6.872 1.00 1.11 C ATOM 1801 OE1 GLU B 11 7.630 -8.423 8.087 1.00 1.85 O ATOM 1802 OE2 GLU B 11 8.163 -8.787 5.997 1.00 1.71 O ATOM 0 H GLU B 11 5.907 -4.685 7.005 1.00 0.24 H new ATOM 0 HA GLU B 11 4.165 -6.248 5.421 1.00 0.27 H new ATOM 0 HB2 GLU B 11 5.348 -6.916 8.130 1.00 0.29 H new ATOM 0 HB3 GLU B 11 4.851 -8.042 6.883 1.00 0.29 H new ATOM 0 HG2 GLU B 11 6.579 -6.991 5.367 1.00 0.41 H new ATOM 0 HG3 GLU B 11 7.141 -6.068 6.747 1.00 0.41 H new ATOM 1809 N ARG B 12 3.066 -5.383 8.390 1.00 0.35 N ATOM 1810 CA ARG B 12 1.856 -5.266 9.182 1.00 0.42 C ATOM 1811 C ARG B 12 0.886 -4.325 8.492 1.00 0.43 C ATOM 1812 O ARG B 12 -0.321 -4.523 8.533 1.00 0.47 O ATOM 1813 CB ARG B 12 2.166 -4.798 10.614 1.00 0.48 C ATOM 1814 CG ARG B 12 2.782 -3.406 10.739 1.00 0.49 C ATOM 1815 CD ARG B 12 1.753 -2.300 10.574 1.00 0.56 C ATOM 1816 NE ARG B 12 2.122 -1.108 11.325 1.00 1.08 N ATOM 1817 CZ ARG B 12 1.694 -0.833 12.553 1.00 1.34 C ATOM 1818 NH1 ARG B 12 0.836 -1.643 13.165 1.00 1.86 N ATOM 1819 NH2 ARG B 12 2.126 0.264 13.160 1.00 1.95 N ATOM 0 H ARG B 12 3.899 -4.981 8.821 1.00 0.35 H new ATOM 0 HA ARG B 12 1.394 -6.250 9.263 1.00 0.42 H new ATOM 0 HB2 ARG B 12 1.242 -4.819 11.191 1.00 0.48 H new ATOM 0 HB3 ARG B 12 2.844 -5.518 11.073 1.00 0.48 H new ATOM 0 HG2 ARG B 12 3.261 -3.310 11.713 1.00 0.49 H new ATOM 0 HG3 ARG B 12 3.562 -3.288 9.987 1.00 0.49 H new ATOM 0 HD2 ARG B 12 1.654 -2.049 9.518 1.00 0.56 H new ATOM 0 HD3 ARG B 12 0.779 -2.655 10.910 1.00 0.56 H new ATOM 0 HE ARG B 12 2.751 -0.440 10.879 1.00 1.08 H new ATOM 0 HH11 ARG B 12 0.501 -2.483 12.692 1.00 1.86 H new ATOM 0 HH12 ARG B 12 0.512 -1.425 14.107 1.00 1.86 H new ATOM 0 HH21 ARG B 12 2.780 0.886 12.685 1.00 1.95 H new ATOM 0 HH22 ARG B 12 1.805 0.486 14.102 1.00 1.95 H new ATOM 1833 N CYS B 13 1.442 -3.319 7.834 1.00 0.42 N ATOM 1834 CA CYS B 13 0.652 -2.325 7.133 1.00 0.44 C ATOM 1835 C CYS B 13 0.001 -2.958 5.924 1.00 0.30 C ATOM 1836 O CYS B 13 -1.157 -2.694 5.607 1.00 0.29 O ATOM 1837 CB CYS B 13 1.549 -1.153 6.738 1.00 0.57 C ATOM 1838 SG CYS B 13 1.804 0.043 8.064 1.00 2.16 S ATOM 0 H CYS B 13 2.449 -3.171 7.772 1.00 0.42 H new ATOM 0 HA CYS B 13 -0.138 -1.945 7.781 1.00 0.44 H new ATOM 0 HB2 CYS B 13 2.517 -1.539 6.418 1.00 0.57 H new ATOM 0 HB3 CYS B 13 1.110 -0.643 5.880 1.00 0.57 H new ATOM 0 HG CYS B 13 2.883 -0.262 8.722 1.00 2.16 H new ATOM 1844 N ILE B 14 0.754 -3.831 5.288 1.00 0.26 N ATOM 1845 CA ILE B 14 0.273 -4.621 4.181 1.00 0.24 C ATOM 1846 C ILE B 14 -0.923 -5.472 4.599 1.00 0.21 C ATOM 1847 O ILE B 14 -1.936 -5.534 3.899 1.00 0.23 O ATOM 1848 CB ILE B 14 1.403 -5.527 3.657 1.00 0.24 C ATOM 1849 CG1 ILE B 14 2.371 -4.737 2.776 1.00 0.25 C ATOM 1850 CG2 ILE B 14 0.849 -6.729 2.911 1.00 0.27 C ATOM 1851 CD1 ILE B 14 3.622 -5.508 2.446 1.00 0.27 C ATOM 0 H ILE B 14 1.728 -4.012 5.530 1.00 0.26 H new ATOM 0 HA ILE B 14 -0.047 -3.945 3.388 1.00 0.24 H new ATOM 0 HB ILE B 14 1.955 -5.899 4.520 1.00 0.24 H new ATOM 0 HG12 ILE B 14 1.867 -4.458 1.851 1.00 0.25 H new ATOM 0 HG13 ILE B 14 2.643 -3.811 3.283 1.00 0.25 H new ATOM 0 HG21 ILE B 14 1.673 -7.347 2.555 1.00 0.27 H new ATOM 0 HG22 ILE B 14 0.219 -7.314 3.581 1.00 0.27 H new ATOM 0 HG23 ILE B 14 0.257 -6.389 2.061 1.00 0.27 H new ATOM 0 HD11 ILE B 14 4.271 -4.897 1.819 1.00 0.27 H new ATOM 0 HD12 ILE B 14 4.145 -5.765 3.367 1.00 0.27 H new ATOM 0 HD13 ILE B 14 3.357 -6.421 1.913 1.00 0.27 H new ATOM 1863 N GLU B 15 -0.813 -6.096 5.764 1.00 0.24 N ATOM 1864 CA GLU B 15 -1.857 -6.968 6.258 1.00 0.28 C ATOM 1865 C GLU B 15 -3.016 -6.149 6.734 1.00 0.30 C ATOM 1866 O GLU B 15 -4.144 -6.616 6.786 1.00 0.34 O ATOM 1867 CB GLU B 15 -1.363 -7.806 7.415 1.00 0.32 C ATOM 1868 CG GLU B 15 -0.186 -8.699 7.066 1.00 0.32 C ATOM 1869 CD GLU B 15 0.207 -9.601 8.217 1.00 0.38 C ATOM 1870 OE1 GLU B 15 -0.397 -10.685 8.354 1.00 1.06 O ATOM 1871 OE2 GLU B 15 1.103 -9.230 9.005 1.00 1.25 O ATOM 0 H GLU B 15 -0.006 -6.011 6.383 1.00 0.24 H new ATOM 0 HA GLU B 15 -2.159 -7.623 5.441 1.00 0.28 H new ATOM 0 HB2 GLU B 15 -1.076 -7.146 8.233 1.00 0.32 H new ATOM 0 HB3 GLU B 15 -2.182 -8.426 7.778 1.00 0.32 H new ATOM 0 HG2 GLU B 15 -0.439 -9.309 6.199 1.00 0.32 H new ATOM 0 HG3 GLU B 15 0.666 -8.081 6.783 1.00 0.32 H new ATOM 1878 N SER B 16 -2.719 -4.927 7.104 1.00 0.31 N ATOM 1879 CA SER B 16 -3.735 -4.026 7.554 1.00 0.37 C ATOM 1880 C SER B 16 -4.537 -3.516 6.367 1.00 0.28 C ATOM 1881 O SER B 16 -5.737 -3.290 6.475 1.00 0.28 O ATOM 1882 CB SER B 16 -3.110 -2.895 8.353 1.00 0.54 C ATOM 1883 OG SER B 16 -2.447 -3.403 9.502 1.00 0.97 O ATOM 0 H SER B 16 -1.776 -4.539 7.100 1.00 0.31 H new ATOM 0 HA SER B 16 -4.426 -4.549 8.216 1.00 0.37 H new ATOM 0 HB2 SER B 16 -2.402 -2.349 7.729 1.00 0.54 H new ATOM 0 HB3 SER B 16 -3.881 -2.186 8.655 1.00 0.54 H new ATOM 0 HG SER B 16 -1.519 -3.620 9.275 1.00 0.97 H new ATOM 1889 N LEU B 17 -3.879 -3.370 5.221 1.00 0.27 N ATOM 1890 CA LEU B 17 -4.588 -3.095 3.980 1.00 0.28 C ATOM 1891 C LEU B 17 -5.458 -4.288 3.645 1.00 0.27 C ATOM 1892 O LEU B 17 -6.578 -4.135 3.186 1.00 0.32 O ATOM 1893 CB LEU B 17 -3.624 -2.828 2.829 1.00 0.29 C ATOM 1894 CG LEU B 17 -2.561 -1.780 3.120 1.00 0.33 C ATOM 1895 CD1 LEU B 17 -1.559 -1.695 1.979 1.00 0.33 C ATOM 1896 CD2 LEU B 17 -3.194 -0.419 3.385 1.00 0.46 C ATOM 0 H LEU B 17 -2.865 -3.437 5.128 1.00 0.27 H new ATOM 0 HA LEU B 17 -5.196 -2.201 4.118 1.00 0.28 H new ATOM 0 HB2 LEU B 17 -3.130 -3.762 2.563 1.00 0.29 H new ATOM 0 HB3 LEU B 17 -4.198 -2.511 1.958 1.00 0.29 H new ATOM 0 HG LEU B 17 -2.027 -2.085 4.020 1.00 0.33 H new ATOM 0 HD11 LEU B 17 -0.808 -0.939 2.210 1.00 0.33 H new ATOM 0 HD12 LEU B 17 -1.072 -2.662 1.849 1.00 0.33 H new ATOM 0 HD13 LEU B 17 -2.077 -1.423 1.059 1.00 0.33 H new ATOM 0 HD21 LEU B 17 -2.412 0.312 3.590 1.00 0.46 H new ATOM 0 HD22 LEU B 17 -3.763 -0.106 2.510 1.00 0.46 H new ATOM 0 HD23 LEU B 17 -3.860 -0.489 4.245 1.00 0.46 H new ATOM 1908 N ILE B 18 -4.923 -5.482 3.891 1.00 0.27 N ATOM 1909 CA ILE B 18 -5.695 -6.711 3.762 1.00 0.30 C ATOM 1910 C ILE B 18 -6.911 -6.667 4.680 1.00 0.28 C ATOM 1911 O ILE B 18 -8.020 -6.981 4.266 1.00 0.30 O ATOM 1912 CB ILE B 18 -4.847 -7.965 4.098 1.00 0.36 C ATOM 1913 CG1 ILE B 18 -3.757 -8.165 3.042 1.00 0.62 C ATOM 1914 CG2 ILE B 18 -5.735 -9.204 4.198 1.00 0.47 C ATOM 1915 CD1 ILE B 18 -2.850 -9.344 3.324 1.00 1.37 C ATOM 0 H ILE B 18 -3.955 -5.622 4.181 1.00 0.27 H new ATOM 0 HA ILE B 18 -6.015 -6.784 2.722 1.00 0.30 H new ATOM 0 HB ILE B 18 -4.368 -7.812 5.065 1.00 0.36 H new ATOM 0 HG12 ILE B 18 -4.227 -8.303 2.068 1.00 0.62 H new ATOM 0 HG13 ILE B 18 -3.153 -7.260 2.979 1.00 0.62 H new ATOM 0 HG21 ILE B 18 -5.121 -10.073 4.434 1.00 0.47 H new ATOM 0 HG22 ILE B 18 -6.476 -9.058 4.984 1.00 0.47 H new ATOM 0 HG23 ILE B 18 -6.242 -9.366 3.247 1.00 0.47 H new ATOM 0 HD11 ILE B 18 -2.102 -9.425 2.535 1.00 1.37 H new ATOM 0 HD12 ILE B 18 -2.352 -9.199 4.283 1.00 1.37 H new ATOM 0 HD13 ILE B 18 -3.442 -10.259 3.358 1.00 1.37 H new ATOM 1927 N ALA B 19 -6.681 -6.258 5.918 1.00 0.25 N ATOM 1928 CA ALA B 19 -7.725 -6.202 6.928 1.00 0.25 C ATOM 1929 C ALA B 19 -8.814 -5.205 6.558 1.00 0.23 C ATOM 1930 O ALA B 19 -10.001 -5.534 6.611 1.00 0.27 O ATOM 1931 CB ALA B 19 -7.121 -5.859 8.281 1.00 0.28 C ATOM 0 H ALA B 19 -5.765 -5.956 6.250 1.00 0.25 H new ATOM 0 HA ALA B 19 -8.192 -7.185 6.984 1.00 0.25 H new ATOM 0 HB1 ALA B 19 -7.910 -5.819 9.032 1.00 0.28 H new ATOM 0 HB2 ALA B 19 -6.394 -6.622 8.559 1.00 0.28 H new ATOM 0 HB3 ALA B 19 -6.626 -4.890 8.223 1.00 0.28 H new ATOM 1937 N VAL B 20 -8.425 -3.989 6.180 1.00 0.20 N ATOM 1938 CA VAL B 20 -9.404 -2.996 5.782 1.00 0.22 C ATOM 1939 C VAL B 20 -10.079 -3.442 4.499 1.00 0.23 C ATOM 1940 O VAL B 20 -11.296 -3.458 4.414 1.00 0.27 O ATOM 1941 CB VAL B 20 -8.798 -1.573 5.624 1.00 0.27 C ATOM 1942 CG1 VAL B 20 -7.896 -1.277 6.784 1.00 0.87 C ATOM 1943 CG2 VAL B 20 -8.036 -1.391 4.322 1.00 0.87 C ATOM 0 H VAL B 20 -7.455 -3.677 6.143 1.00 0.20 H new ATOM 0 HA VAL B 20 -10.141 -2.921 6.582 1.00 0.22 H new ATOM 0 HB VAL B 20 -9.633 -0.873 5.602 1.00 0.27 H new ATOM 0 HG11 VAL B 20 -7.473 -0.279 6.670 1.00 0.87 H new ATOM 0 HG12 VAL B 20 -8.467 -1.325 7.711 1.00 0.87 H new ATOM 0 HG13 VAL B 20 -7.091 -2.011 6.815 1.00 0.87 H new ATOM 0 HG21 VAL B 20 -7.638 -0.378 4.272 1.00 0.87 H new ATOM 0 HG22 VAL B 20 -7.215 -2.106 4.278 1.00 0.87 H new ATOM 0 HG23 VAL B 20 -8.708 -1.559 3.481 1.00 0.87 H new ATOM 1953 N PHE B 21 -9.286 -3.866 3.530 1.00 0.22 N ATOM 1954 CA PHE B 21 -9.830 -4.351 2.264 1.00 0.25 C ATOM 1955 C PHE B 21 -10.873 -5.436 2.507 1.00 0.29 C ATOM 1956 O PHE B 21 -11.925 -5.465 1.869 1.00 0.35 O ATOM 1957 CB PHE B 21 -8.716 -4.905 1.374 1.00 0.26 C ATOM 1958 CG PHE B 21 -9.215 -5.437 0.062 1.00 0.91 C ATOM 1959 CD1 PHE B 21 -9.595 -4.572 -0.947 1.00 1.85 C ATOM 1960 CD2 PHE B 21 -9.319 -6.799 -0.155 1.00 1.59 C ATOM 1961 CE1 PHE B 21 -10.068 -5.053 -2.151 1.00 2.48 C ATOM 1962 CE2 PHE B 21 -9.792 -7.286 -1.357 1.00 2.17 C ATOM 1963 CZ PHE B 21 -10.167 -6.412 -2.355 1.00 2.40 C ATOM 0 H PHE B 21 -8.268 -3.886 3.590 1.00 0.22 H new ATOM 0 HA PHE B 21 -10.303 -3.508 1.759 1.00 0.25 H new ATOM 0 HB2 PHE B 21 -7.986 -4.118 1.185 1.00 0.26 H new ATOM 0 HB3 PHE B 21 -8.196 -5.701 1.907 1.00 0.26 H new ATOM 0 HD1 PHE B 21 -9.521 -3.506 -0.791 1.00 1.85 H new ATOM 0 HD2 PHE B 21 -9.027 -7.488 0.624 1.00 1.59 H new ATOM 0 HE1 PHE B 21 -10.360 -4.366 -2.931 1.00 2.48 H new ATOM 0 HE2 PHE B 21 -9.868 -8.352 -1.516 1.00 2.17 H new ATOM 0 HZ PHE B 21 -10.538 -6.792 -3.295 1.00 2.40 H new ATOM 1973 N GLN B 22 -10.579 -6.303 3.458 1.00 0.30 N ATOM 1974 CA GLN B 22 -11.417 -7.443 3.757 1.00 0.37 C ATOM 1975 C GLN B 22 -12.682 -7.030 4.502 1.00 0.36 C ATOM 1976 O GLN B 22 -13.721 -7.667 4.350 1.00 0.44 O ATOM 1977 CB GLN B 22 -10.615 -8.459 4.570 1.00 0.47 C ATOM 1978 CG GLN B 22 -11.328 -9.776 4.777 1.00 1.11 C ATOM 1979 CD GLN B 22 -11.850 -9.947 6.193 1.00 1.98 C ATOM 1980 OE1 GLN B 22 -12.162 -8.977 6.879 1.00 2.68 O ATOM 1981 NE2 GLN B 22 -11.957 -11.188 6.636 1.00 2.65 N ATOM 0 H GLN B 22 -9.748 -6.234 4.046 1.00 0.30 H new ATOM 0 HA GLN B 22 -11.734 -7.898 2.819 1.00 0.37 H new ATOM 0 HB2 GLN B 22 -9.666 -8.646 4.066 1.00 0.47 H new ATOM 0 HB3 GLN B 22 -10.380 -8.027 5.543 1.00 0.47 H new ATOM 0 HG2 GLN B 22 -12.160 -9.847 4.077 1.00 1.11 H new ATOM 0 HG3 GLN B 22 -10.646 -10.594 4.545 1.00 1.11 H new ATOM 0 HE21 GLN B 22 -11.688 -11.968 6.037 1.00 2.65 H new ATOM 0 HE22 GLN B 22 -12.309 -11.365 7.577 1.00 2.65 H new ATOM 1990 N LYS B 23 -12.602 -5.973 5.301 1.00 0.35 N ATOM 1991 CA LYS B 23 -13.778 -5.502 6.020 1.00 0.39 C ATOM 1992 C LYS B 23 -14.648 -4.620 5.126 1.00 0.41 C ATOM 1993 O LYS B 23 -15.855 -4.514 5.336 1.00 0.49 O ATOM 1994 CB LYS B 23 -13.380 -4.752 7.294 1.00 0.41 C ATOM 1995 CG LYS B 23 -12.761 -3.408 7.053 1.00 0.42 C ATOM 1996 CD LYS B 23 -12.100 -2.906 8.309 1.00 0.63 C ATOM 1997 CE LYS B 23 -11.818 -1.430 8.196 1.00 0.64 C ATOM 1998 NZ LYS B 23 -11.212 -0.855 9.427 1.00 0.91 N ATOM 0 H LYS B 23 -11.752 -5.434 5.466 1.00 0.35 H new ATOM 0 HA LYS B 23 -14.362 -6.375 6.310 1.00 0.39 H new ATOM 0 HB2 LYS B 23 -14.265 -4.625 7.918 1.00 0.41 H new ATOM 0 HB3 LYS B 23 -12.678 -5.366 7.858 1.00 0.41 H new ATOM 0 HG2 LYS B 23 -12.027 -3.476 6.250 1.00 0.42 H new ATOM 0 HG3 LYS B 23 -13.524 -2.701 6.728 1.00 0.42 H new ATOM 0 HD2 LYS B 23 -12.744 -3.096 9.168 1.00 0.63 H new ATOM 0 HD3 LYS B 23 -11.171 -3.449 8.481 1.00 0.63 H new ATOM 0 HE2 LYS B 23 -11.148 -1.258 7.354 1.00 0.64 H new ATOM 0 HE3 LYS B 23 -12.747 -0.905 7.976 1.00 0.64 H new ATOM 0 HZ1 LYS B 23 -11.151 0.179 9.334 1.00 0.91 H new ATOM 0 HZ2 LYS B 23 -11.803 -1.094 10.249 1.00 0.91 H new ATOM 0 HZ3 LYS B 23 -10.258 -1.247 9.560 1.00 0.91 H new ATOM 2012 N TYR B 24 -14.033 -3.988 4.125 1.00 0.36 N ATOM 2013 CA TYR B 24 -14.781 -3.204 3.150 1.00 0.39 C ATOM 2014 C TYR B 24 -15.510 -4.157 2.224 1.00 0.34 C ATOM 2015 O TYR B 24 -16.724 -4.115 2.090 1.00 0.40 O ATOM 2016 CB TYR B 24 -13.869 -2.334 2.280 1.00 0.46 C ATOM 2017 CG TYR B 24 -12.930 -1.369 2.982 1.00 0.86 C ATOM 2018 CD1 TYR B 24 -12.889 -1.242 4.359 1.00 1.52 C ATOM 2019 CD2 TYR B 24 -12.061 -0.586 2.232 1.00 1.66 C ATOM 2020 CE1 TYR B 24 -12.014 -0.364 4.967 1.00 1.83 C ATOM 2021 CE2 TYR B 24 -11.183 0.286 2.833 1.00 1.99 C ATOM 2022 CZ TYR B 24 -11.164 0.395 4.198 1.00 1.71 C ATOM 2023 OH TYR B 24 -10.278 1.251 4.799 1.00 2.15 O ATOM 0 H TYR B 24 -13.025 -4.005 3.971 1.00 0.36 H new ATOM 0 HA TYR B 24 -15.461 -2.556 3.703 1.00 0.39 H new ATOM 0 HB2 TYR B 24 -13.266 -2.997 1.660 1.00 0.46 H new ATOM 0 HB3 TYR B 24 -14.501 -1.756 1.606 1.00 0.46 H new ATOM 0 HD1 TYR B 24 -13.552 -1.839 4.968 1.00 1.52 H new ATOM 0 HD2 TYR B 24 -12.075 -0.664 1.155 1.00 1.66 H new ATOM 0 HE1 TYR B 24 -11.997 -0.274 6.043 1.00 1.83 H new ATOM 0 HE2 TYR B 24 -10.512 0.882 2.232 1.00 1.99 H new ATOM 0 HH TYR B 24 -9.381 1.103 4.434 1.00 2.15 H new ATOM 2033 N ALA B 25 -14.731 -5.026 1.599 1.00 0.29 N ATOM 2034 CA ALA B 25 -15.243 -6.028 0.681 1.00 0.34 C ATOM 2035 C ALA B 25 -16.047 -7.084 1.432 1.00 0.47 C ATOM 2036 O ALA B 25 -16.729 -7.925 0.837 1.00 0.58 O ATOM 2037 CB ALA B 25 -14.088 -6.663 -0.070 1.00 0.37 C ATOM 0 H ALA B 25 -13.718 -5.055 1.716 1.00 0.29 H new ATOM 0 HA ALA B 25 -15.911 -5.549 -0.035 1.00 0.34 H new ATOM 0 HB1 ALA B 25 -14.472 -7.415 -0.759 1.00 0.37 H new ATOM 0 HB2 ALA B 25 -13.553 -5.896 -0.631 1.00 0.37 H new ATOM 0 HB3 ALA B 25 -13.408 -7.134 0.640 1.00 0.37 H new ATOM 2043 N GLY B 26 -15.908 -7.072 2.751 1.00 0.50 N ATOM 2044 CA GLY B 26 -16.605 -8.025 3.588 1.00 0.64 C ATOM 2045 C GLY B 26 -18.035 -7.617 3.885 1.00 0.76 C ATOM 2046 O GLY B 26 -18.719 -8.272 4.671 1.00 0.96 O ATOM 0 H GLY B 26 -15.319 -6.412 3.259 1.00 0.50 H new ATOM 0 HA2 GLY B 26 -16.605 -8.999 3.098 1.00 0.64 H new ATOM 0 HA3 GLY B 26 -16.063 -8.140 4.527 1.00 0.64 H new ATOM 2147 N THR B 33 -13.162 -8.573 -3.735 1.00 0.66 N ATOM 2148 CA THR B 33 -13.355 -7.355 -4.507 1.00 0.45 C ATOM 2149 C THR B 33 -14.321 -6.418 -3.787 1.00 0.37 C ATOM 2150 O THR B 33 -15.352 -6.843 -3.268 1.00 0.44 O ATOM 2151 CB THR B 33 -13.884 -7.669 -5.921 1.00 0.45 C ATOM 2152 OG1 THR B 33 -13.610 -9.037 -6.258 1.00 0.66 O ATOM 2153 CG2 THR B 33 -13.237 -6.766 -6.958 1.00 0.43 C ATOM 0 HA THR B 33 -12.386 -6.865 -4.605 1.00 0.45 H new ATOM 0 HB THR B 33 -14.960 -7.495 -5.921 1.00 0.45 H new ATOM 0 HG1 THR B 33 -13.353 -9.528 -5.450 1.00 0.66 H new ATOM 0 HG21 THR B 33 -13.628 -7.009 -7.946 1.00 0.43 H new ATOM 0 HG22 THR B 33 -13.461 -5.725 -6.725 1.00 0.43 H new ATOM 0 HG23 THR B 33 -12.157 -6.916 -6.948 1.00 0.43 H new ATOM 2161 N LEU B 34 -13.947 -5.153 -3.757 1.00 0.32 N ATOM 2162 CA LEU B 34 -14.688 -4.103 -3.079 1.00 0.30 C ATOM 2163 C LEU B 34 -15.735 -3.506 -4.000 1.00 0.31 C ATOM 2164 O LEU B 34 -15.407 -2.811 -4.955 1.00 0.34 O ATOM 2165 CB LEU B 34 -13.679 -3.035 -2.662 1.00 0.29 C ATOM 2166 CG LEU B 34 -13.578 -2.742 -1.172 1.00 0.29 C ATOM 2167 CD1 LEU B 34 -12.183 -2.253 -0.834 1.00 0.45 C ATOM 2168 CD2 LEU B 34 -14.606 -1.704 -0.770 1.00 0.28 C ATOM 0 H LEU B 34 -13.099 -4.818 -4.214 1.00 0.32 H new ATOM 0 HA LEU B 34 -15.209 -4.505 -2.210 1.00 0.30 H new ATOM 0 HB2 LEU B 34 -12.694 -3.338 -3.018 1.00 0.29 H new ATOM 0 HB3 LEU B 34 -13.932 -2.108 -3.176 1.00 0.29 H new ATOM 0 HG LEU B 34 -13.775 -3.660 -0.619 1.00 0.29 H new ATOM 0 HD11 LEU B 34 -12.119 -2.046 0.234 1.00 0.45 H new ATOM 0 HD12 LEU B 34 -11.455 -3.019 -1.099 1.00 0.45 H new ATOM 0 HD13 LEU B 34 -11.971 -1.342 -1.394 1.00 0.45 H new ATOM 0 HD21 LEU B 34 -14.523 -1.504 0.298 1.00 0.28 H new ATOM 0 HD22 LEU B 34 -14.430 -0.783 -1.326 1.00 0.28 H new ATOM 0 HD23 LEU B 34 -15.606 -2.077 -0.992 1.00 0.28 H new ATOM 2180 N SER B 35 -16.990 -3.783 -3.708 1.00 0.31 N ATOM 2181 CA SER B 35 -18.085 -3.324 -4.535 1.00 0.33 C ATOM 2182 C SER B 35 -18.272 -1.812 -4.396 1.00 0.32 C ATOM 2183 O SER B 35 -17.726 -1.200 -3.475 1.00 0.30 O ATOM 2184 CB SER B 35 -19.365 -4.078 -4.165 1.00 0.37 C ATOM 2185 OG SER B 35 -20.424 -3.792 -5.063 1.00 0.40 O ATOM 0 H SER B 35 -17.277 -4.329 -2.896 1.00 0.31 H new ATOM 0 HA SER B 35 -17.852 -3.530 -5.580 1.00 0.33 H new ATOM 0 HB2 SER B 35 -19.168 -5.150 -4.165 1.00 0.37 H new ATOM 0 HB3 SER B 35 -19.665 -3.809 -3.152 1.00 0.37 H new ATOM 0 HG SER B 35 -21.223 -4.292 -4.796 1.00 0.40 H new ATOM 2191 N LYS B 36 -19.064 -1.231 -5.302 1.00 0.38 N ATOM 2192 CA LYS B 36 -19.199 0.222 -5.422 1.00 0.42 C ATOM 2193 C LYS B 36 -19.455 0.875 -4.073 1.00 0.36 C ATOM 2194 O LYS B 36 -18.643 1.653 -3.581 1.00 0.35 O ATOM 2195 CB LYS B 36 -20.335 0.569 -6.395 1.00 0.53 C ATOM 2196 CG LYS B 36 -20.598 2.063 -6.541 1.00 0.62 C ATOM 2197 CD LYS B 36 -19.375 2.797 -7.064 1.00 0.66 C ATOM 2198 CE LYS B 36 -19.644 4.280 -7.288 1.00 0.61 C ATOM 2199 NZ LYS B 36 -20.561 4.515 -8.431 1.00 0.65 N ATOM 0 H LYS B 36 -19.628 -1.754 -5.971 1.00 0.38 H new ATOM 0 HA LYS B 36 -18.257 0.611 -5.809 1.00 0.42 H new ATOM 0 HB2 LYS B 36 -20.098 0.156 -7.375 1.00 0.53 H new ATOM 0 HB3 LYS B 36 -21.250 0.082 -6.057 1.00 0.53 H new ATOM 0 HG2 LYS B 36 -21.436 2.221 -7.220 1.00 0.62 H new ATOM 0 HG3 LYS B 36 -20.887 2.478 -5.576 1.00 0.62 H new ATOM 0 HD2 LYS B 36 -18.554 2.682 -6.356 1.00 0.66 H new ATOM 0 HD3 LYS B 36 -19.054 2.342 -8.001 1.00 0.66 H new ATOM 0 HE2 LYS B 36 -20.075 4.710 -6.384 1.00 0.61 H new ATOM 0 HE3 LYS B 36 -18.701 4.796 -7.469 1.00 0.61 H new ATOM 0 HZ1 LYS B 36 -20.571 5.528 -8.666 1.00 0.65 H new ATOM 0 HZ2 LYS B 36 -20.234 3.972 -9.255 1.00 0.65 H new ATOM 0 HZ3 LYS B 36 -21.521 4.210 -8.174 1.00 0.65 H new ATOM 2213 N THR B 37 -20.568 0.527 -3.469 1.00 0.37 N ATOM 2214 CA THR B 37 -20.961 1.117 -2.211 1.00 0.38 C ATOM 2215 C THR B 37 -19.987 0.762 -1.087 1.00 0.36 C ATOM 2216 O THR B 37 -19.801 1.542 -0.150 1.00 0.38 O ATOM 2217 CB THR B 37 -22.361 0.657 -1.815 1.00 0.44 C ATOM 2218 OG1 THR B 37 -23.272 0.876 -2.901 1.00 0.47 O ATOM 2219 CG2 THR B 37 -22.832 1.414 -0.585 1.00 0.49 C ATOM 0 H THR B 37 -21.221 -0.167 -3.832 1.00 0.37 H new ATOM 0 HA THR B 37 -20.951 2.198 -2.353 1.00 0.38 H new ATOM 0 HB THR B 37 -22.330 -0.408 -1.584 1.00 0.44 H new ATOM 0 HG1 THR B 37 -24.168 0.577 -2.641 1.00 0.47 H new ATOM 0 HG21 THR B 37 -23.832 1.078 -0.312 1.00 0.49 H new ATOM 0 HG22 THR B 37 -22.147 1.226 0.242 1.00 0.49 H new ATOM 0 HG23 THR B 37 -22.855 2.482 -0.802 1.00 0.49 H new ATOM 2227 N GLU B 38 -19.354 -0.401 -1.187 1.00 0.34 N ATOM 2228 CA GLU B 38 -18.444 -0.847 -0.143 1.00 0.33 C ATOM 2229 C GLU B 38 -17.302 0.142 0.010 1.00 0.33 C ATOM 2230 O GLU B 38 -16.946 0.516 1.128 1.00 0.48 O ATOM 2231 CB GLU B 38 -17.911 -2.248 -0.425 1.00 0.34 C ATOM 2232 CG GLU B 38 -19.003 -3.299 -0.517 1.00 0.47 C ATOM 2233 CD GLU B 38 -18.458 -4.709 -0.603 1.00 1.27 C ATOM 2234 OE1 GLU B 38 -17.868 -5.060 -1.639 1.00 1.96 O ATOM 2235 OE2 GLU B 38 -18.628 -5.470 0.367 1.00 2.16 O ATOM 0 H GLU B 38 -19.453 -1.045 -1.972 1.00 0.34 H new ATOM 0 HA GLU B 38 -19.000 -0.893 0.793 1.00 0.33 H new ATOM 0 HB2 GLU B 38 -17.350 -2.234 -1.359 1.00 0.34 H new ATOM 0 HB3 GLU B 38 -17.212 -2.529 0.363 1.00 0.34 H new ATOM 0 HG2 GLU B 38 -19.652 -3.218 0.355 1.00 0.47 H new ATOM 0 HG3 GLU B 38 -19.620 -3.099 -1.393 1.00 0.47 H new ATOM 2242 N PHE B 39 -16.745 0.605 -1.107 1.00 0.29 N ATOM 2243 CA PHE B 39 -15.682 1.591 -1.021 1.00 0.31 C ATOM 2244 C PHE B 39 -16.241 2.967 -0.823 1.00 0.28 C ATOM 2245 O PHE B 39 -15.651 3.767 -0.132 1.00 0.27 O ATOM 2246 CB PHE B 39 -14.712 1.570 -2.202 1.00 0.53 C ATOM 2247 CG PHE B 39 -15.291 1.597 -3.583 1.00 0.81 C ATOM 2248 CD1 PHE B 39 -15.663 2.791 -4.170 1.00 1.78 C ATOM 2249 CD2 PHE B 39 -15.405 0.430 -4.313 1.00 1.76 C ATOM 2250 CE1 PHE B 39 -16.148 2.817 -5.460 1.00 2.66 C ATOM 2251 CE2 PHE B 39 -15.894 0.448 -5.600 1.00 2.61 C ATOM 2252 CZ PHE B 39 -16.265 1.643 -6.175 1.00 2.87 C ATOM 0 H PHE B 39 -17.004 0.322 -2.052 1.00 0.29 H new ATOM 0 HA PHE B 39 -15.095 1.309 -0.147 1.00 0.31 H new ATOM 0 HB2 PHE B 39 -14.044 2.426 -2.102 1.00 0.53 H new ATOM 0 HB3 PHE B 39 -14.097 0.674 -2.114 1.00 0.53 H new ATOM 0 HD1 PHE B 39 -15.573 3.712 -3.613 1.00 1.78 H new ATOM 0 HD2 PHE B 39 -15.107 -0.508 -3.869 1.00 1.76 H new ATOM 0 HE1 PHE B 39 -16.436 3.755 -5.910 1.00 2.66 H new ATOM 0 HE2 PHE B 39 -15.986 -0.473 -6.157 1.00 2.61 H new ATOM 0 HZ PHE B 39 -16.647 1.661 -7.185 1.00 2.87 H new ATOM 2262 N LEU B 40 -17.386 3.234 -1.399 1.00 0.33 N ATOM 2263 CA LEU B 40 -18.066 4.493 -1.159 1.00 0.37 C ATOM 2264 C LEU B 40 -18.170 4.770 0.337 1.00 0.40 C ATOM 2265 O LEU B 40 -17.895 5.873 0.803 1.00 0.43 O ATOM 2266 CB LEU B 40 -19.458 4.429 -1.765 1.00 0.43 C ATOM 2267 CG LEU B 40 -19.635 5.090 -3.137 1.00 0.50 C ATOM 2268 CD1 LEU B 40 -19.630 6.604 -3.019 1.00 1.07 C ATOM 2269 CD2 LEU B 40 -18.547 4.643 -4.088 1.00 0.46 C ATOM 0 H LEU B 40 -17.870 2.602 -2.037 1.00 0.33 H new ATOM 0 HA LEU B 40 -17.495 5.299 -1.620 1.00 0.37 H new ATOM 0 HB2 LEU B 40 -19.745 3.381 -1.851 1.00 0.43 H new ATOM 0 HB3 LEU B 40 -20.156 4.895 -1.069 1.00 0.43 H new ATOM 0 HG LEU B 40 -20.601 4.778 -3.533 1.00 0.50 H new ATOM 0 HD11 LEU B 40 -19.757 7.046 -4.007 1.00 1.07 H new ATOM 0 HD12 LEU B 40 -20.447 6.921 -2.371 1.00 1.07 H new ATOM 0 HD13 LEU B 40 -18.682 6.933 -2.594 1.00 1.07 H new ATOM 0 HD21 LEU B 40 -18.690 5.123 -5.056 1.00 0.46 H new ATOM 0 HD22 LEU B 40 -17.574 4.923 -3.685 1.00 0.46 H new ATOM 0 HD23 LEU B 40 -18.592 3.561 -4.209 1.00 0.46 H new ATOM 2281 N SER B 41 -18.494 3.735 1.089 1.00 0.42 N ATOM 2282 CA SER B 41 -18.756 3.887 2.507 1.00 0.52 C ATOM 2283 C SER B 41 -17.448 3.872 3.278 1.00 0.45 C ATOM 2284 O SER B 41 -17.231 4.673 4.188 1.00 0.47 O ATOM 2285 CB SER B 41 -19.680 2.767 2.997 1.00 0.67 C ATOM 2286 OG SER B 41 -19.972 2.901 4.378 1.00 1.40 O ATOM 0 H SER B 41 -18.582 2.780 0.741 1.00 0.42 H new ATOM 0 HA SER B 41 -19.252 4.842 2.677 1.00 0.52 H new ATOM 0 HB2 SER B 41 -20.608 2.783 2.425 1.00 0.67 H new ATOM 0 HB3 SER B 41 -19.210 1.800 2.816 1.00 0.67 H new ATOM 0 HG SER B 41 -20.564 2.173 4.659 1.00 1.40 H new ATOM 2292 N PHE B 42 -16.566 2.978 2.876 1.00 0.42 N ATOM 2293 CA PHE B 42 -15.319 2.760 3.577 1.00 0.46 C ATOM 2294 C PHE B 42 -14.231 3.737 3.168 1.00 0.29 C ATOM 2295 O PHE B 42 -13.280 3.960 3.909 1.00 0.42 O ATOM 2296 CB PHE B 42 -14.911 1.316 3.439 1.00 0.80 C ATOM 2297 CG PHE B 42 -15.406 0.500 4.607 1.00 1.89 C ATOM 2298 CD1 PHE B 42 -14.992 0.805 5.894 1.00 2.77 C ATOM 2299 CD2 PHE B 42 -16.275 -0.560 4.426 1.00 2.69 C ATOM 2300 CE1 PHE B 42 -15.431 0.070 6.977 1.00 3.80 C ATOM 2301 CE2 PHE B 42 -16.719 -1.301 5.510 1.00 3.73 C ATOM 2302 CZ PHE B 42 -16.296 -0.985 6.784 1.00 4.13 C ATOM 0 H PHE B 42 -16.694 2.385 2.056 1.00 0.42 H new ATOM 0 HA PHE B 42 -15.476 2.966 4.636 1.00 0.46 H new ATOM 0 HB2 PHE B 42 -15.311 0.909 2.511 1.00 0.80 H new ATOM 0 HB3 PHE B 42 -13.825 1.246 3.376 1.00 0.80 H new ATOM 0 HD1 PHE B 42 -14.315 1.631 6.052 1.00 2.77 H new ATOM 0 HD2 PHE B 42 -16.611 -0.813 3.431 1.00 2.69 H new ATOM 0 HE1 PHE B 42 -15.097 0.321 7.973 1.00 3.80 H new ATOM 0 HE2 PHE B 42 -17.397 -2.127 5.357 1.00 3.73 H new ATOM 0 HZ PHE B 42 -16.642 -1.563 7.628 1.00 4.13 H new ATOM 2312 N MET B 43 -14.369 4.325 2.004 1.00 0.26 N ATOM 2313 CA MET B 43 -13.537 5.456 1.627 1.00 0.29 C ATOM 2314 C MET B 43 -13.968 6.707 2.382 1.00 0.29 C ATOM 2315 O MET B 43 -13.139 7.472 2.848 1.00 0.37 O ATOM 2316 CB MET B 43 -13.627 5.719 0.140 1.00 0.38 C ATOM 2317 CG MET B 43 -12.800 4.772 -0.720 1.00 0.62 C ATOM 2318 SD MET B 43 -13.074 5.026 -2.486 1.00 1.22 S ATOM 2319 CE MET B 43 -11.922 3.852 -3.190 1.00 2.25 C ATOM 0 H MET B 43 -15.048 4.043 1.297 1.00 0.26 H new ATOM 0 HA MET B 43 -12.506 5.211 1.884 1.00 0.29 H new ATOM 0 HB2 MET B 43 -14.671 5.649 -0.166 1.00 0.38 H new ATOM 0 HB3 MET B 43 -13.305 6.742 -0.055 1.00 0.38 H new ATOM 0 HG2 MET B 43 -11.743 4.912 -0.496 1.00 0.62 H new ATOM 0 HG3 MET B 43 -13.047 3.742 -0.462 1.00 0.62 H new ATOM 0 HE1 MET B 43 -12.305 3.496 -4.146 1.00 2.25 H new ATOM 0 HE2 MET B 43 -10.957 4.336 -3.343 1.00 2.25 H new ATOM 0 HE3 MET B 43 -11.801 3.008 -2.510 1.00 2.25 H new ATOM 2329 N ASN B 44 -15.274 6.922 2.499 1.00 0.29 N ATOM 2330 CA ASN B 44 -15.774 8.077 3.241 1.00 0.33 C ATOM 2331 C ASN B 44 -15.420 7.985 4.715 1.00 0.32 C ATOM 2332 O ASN B 44 -15.251 9.000 5.375 1.00 0.39 O ATOM 2333 CB ASN B 44 -17.282 8.213 3.113 1.00 0.42 C ATOM 2334 CG ASN B 44 -17.710 9.106 1.963 1.00 1.05 C ATOM 2335 OD1 ASN B 44 -17.743 10.328 2.097 1.00 1.53 O ATOM 2336 ND2 ASN B 44 -18.077 8.509 0.845 1.00 1.83 N ATOM 0 H ASN B 44 -15.996 6.324 2.098 1.00 0.29 H new ATOM 0 HA ASN B 44 -15.294 8.953 2.805 1.00 0.33 H new ATOM 0 HB2 ASN B 44 -17.719 7.224 2.977 1.00 0.42 H new ATOM 0 HB3 ASN B 44 -17.684 8.614 4.044 1.00 0.42 H new ATOM 0 HD21 ASN B 44 -18.402 9.064 0.053 1.00 1.83 H new ATOM 0 HD22 ASN B 44 -18.035 7.492 0.772 1.00 1.83 H new ATOM 2343 N THR B 45 -15.319 6.772 5.231 1.00 0.27 N ATOM 2344 CA THR B 45 -15.016 6.589 6.645 1.00 0.29 C ATOM 2345 C THR B 45 -13.526 6.482 6.878 1.00 0.28 C ATOM 2346 O THR B 45 -12.919 7.325 7.538 1.00 0.34 O ATOM 2347 CB THR B 45 -15.684 5.329 7.215 1.00 0.30 C ATOM 2348 OG1 THR B 45 -15.615 4.261 6.261 1.00 0.34 O ATOM 2349 CG2 THR B 45 -17.131 5.591 7.585 1.00 0.34 C ATOM 0 H THR B 45 -15.440 5.908 4.703 1.00 0.27 H new ATOM 0 HA THR B 45 -15.409 7.468 7.156 1.00 0.29 H new ATOM 0 HB THR B 45 -15.146 5.046 8.120 1.00 0.30 H new ATOM 0 HG1 THR B 45 -16.418 4.272 5.699 1.00 0.34 H new ATOM 0 HG21 THR B 45 -17.575 4.680 7.985 1.00 0.34 H new ATOM 0 HG22 THR B 45 -17.177 6.378 8.338 1.00 0.34 H new ATOM 0 HG23 THR B 45 -17.682 5.904 6.698 1.00 0.34 H new ATOM 2357 N GLU B 46 -12.939 5.455 6.297 1.00 0.23 N ATOM 2358 CA GLU B 46 -11.550 5.137 6.539 1.00 0.25 C ATOM 2359 C GLU B 46 -10.627 6.055 5.752 1.00 0.25 C ATOM 2360 O GLU B 46 -9.416 5.996 5.909 1.00 0.34 O ATOM 2361 CB GLU B 46 -11.281 3.678 6.184 1.00 0.29 C ATOM 2362 CG GLU B 46 -12.150 2.689 6.949 1.00 0.57 C ATOM 2363 CD GLU B 46 -11.850 2.648 8.435 1.00 1.17 C ATOM 2364 OE1 GLU B 46 -12.444 3.451 9.188 1.00 1.68 O ATOM 2365 OE2 GLU B 46 -11.044 1.792 8.861 1.00 1.70 O ATOM 0 H GLU B 46 -13.409 4.823 5.649 1.00 0.23 H new ATOM 0 HA GLU B 46 -11.345 5.290 7.598 1.00 0.25 H new ATOM 0 HB2 GLU B 46 -11.443 3.538 5.115 1.00 0.29 H new ATOM 0 HB3 GLU B 46 -10.233 3.453 6.380 1.00 0.29 H new ATOM 0 HG2 GLU B 46 -13.198 2.950 6.805 1.00 0.57 H new ATOM 0 HG3 GLU B 46 -12.009 1.693 6.530 1.00 0.57 H new ATOM 2372 N LEU B 47 -11.196 6.883 4.894 1.00 0.25 N ATOM 2373 CA LEU B 47 -10.414 7.852 4.145 1.00 0.26 C ATOM 2374 C LEU B 47 -11.091 9.210 4.160 1.00 0.28 C ATOM 2375 O LEU B 47 -10.882 10.027 3.265 1.00 0.30 O ATOM 2376 CB LEU B 47 -10.206 7.376 2.712 1.00 0.26 C ATOM 2377 CG LEU B 47 -9.415 6.082 2.587 1.00 0.27 C ATOM 2378 CD1 LEU B 47 -9.448 5.578 1.159 1.00 0.32 C ATOM 2379 CD2 LEU B 47 -7.986 6.302 3.060 1.00 0.28 C ATOM 0 H LEU B 47 -12.197 6.904 4.698 1.00 0.25 H new ATOM 0 HA LEU B 47 -9.439 7.949 4.622 1.00 0.26 H new ATOM 0 HB2 LEU B 47 -11.180 7.239 2.243 1.00 0.26 H new ATOM 0 HB3 LEU B 47 -9.691 8.158 2.154 1.00 0.26 H new ATOM 0 HG LEU B 47 -9.872 5.321 3.219 1.00 0.27 H new ATOM 0 HD11 LEU B 47 -8.878 4.652 1.087 1.00 0.32 H new ATOM 0 HD12 LEU B 47 -10.480 5.392 0.862 1.00 0.32 H new ATOM 0 HD13 LEU B 47 -9.010 6.326 0.499 1.00 0.32 H new ATOM 0 HD21 LEU B 47 -7.425 5.372 2.968 1.00 0.28 H new ATOM 0 HD22 LEU B 47 -7.515 7.072 2.449 1.00 0.28 H new ATOM 0 HD23 LEU B 47 -7.993 6.620 4.103 1.00 0.28 H new ATOM 2391 N ALA B 48 -11.947 9.419 5.152 1.00 0.32 N ATOM 2392 CA ALA B 48 -12.545 10.725 5.412 1.00 0.37 C ATOM 2393 C ALA B 48 -11.515 11.858 5.382 1.00 0.39 C ATOM 2394 O ALA B 48 -11.841 12.987 5.007 1.00 0.44 O ATOM 2395 CB ALA B 48 -13.246 10.704 6.758 1.00 0.41 C ATOM 0 H ALA B 48 -12.247 8.690 5.799 1.00 0.32 H new ATOM 0 HA ALA B 48 -13.262 10.920 4.615 1.00 0.37 H new ATOM 0 HB1 ALA B 48 -13.692 11.680 6.951 1.00 0.41 H new ATOM 0 HB2 ALA B 48 -14.027 9.943 6.750 1.00 0.41 H new ATOM 0 HB3 ALA B 48 -12.523 10.474 7.541 1.00 0.41 H new ATOM 2401 N ALA B 49 -10.281 11.554 5.778 1.00 0.38 N ATOM 2402 CA ALA B 49 -9.198 12.529 5.735 1.00 0.41 C ATOM 2403 C ALA B 49 -8.997 13.049 4.319 1.00 0.41 C ATOM 2404 O ALA B 49 -8.783 14.241 4.105 1.00 0.47 O ATOM 2405 CB ALA B 49 -7.912 11.900 6.245 1.00 0.44 C ATOM 0 H ALA B 49 -10.008 10.638 6.133 1.00 0.38 H new ATOM 0 HA ALA B 49 -9.465 13.369 6.376 1.00 0.41 H new ATOM 0 HB1 ALA B 49 -7.108 12.635 6.209 1.00 0.44 H new ATOM 0 HB2 ALA B 49 -8.053 11.566 7.273 1.00 0.44 H new ATOM 0 HB3 ALA B 49 -7.651 11.047 5.619 1.00 0.44 H new ATOM 2411 N PHE B 50 -9.067 12.137 3.366 1.00 0.36 N ATOM 2412 CA PHE B 50 -8.894 12.454 1.957 1.00 0.37 C ATOM 2413 C PHE B 50 -10.213 12.885 1.318 1.00 0.38 C ATOM 2414 O PHE B 50 -10.270 13.846 0.556 1.00 0.44 O ATOM 2415 CB PHE B 50 -8.361 11.218 1.236 1.00 0.35 C ATOM 2416 CG PHE B 50 -8.152 11.411 -0.242 1.00 0.70 C ATOM 2417 CD1 PHE B 50 -7.042 12.094 -0.716 1.00 1.33 C ATOM 2418 CD2 PHE B 50 -9.062 10.905 -1.157 1.00 1.63 C ATOM 2419 CE1 PHE B 50 -6.847 12.268 -2.073 1.00 1.67 C ATOM 2420 CE2 PHE B 50 -8.872 11.076 -2.514 1.00 2.10 C ATOM 2421 CZ PHE B 50 -7.764 11.759 -2.973 1.00 1.80 C ATOM 0 H PHE B 50 -9.246 11.149 3.547 1.00 0.36 H new ATOM 0 HA PHE B 50 -8.190 13.282 1.870 1.00 0.37 H new ATOM 0 HB2 PHE B 50 -7.415 10.925 1.691 1.00 0.35 H new ATOM 0 HB3 PHE B 50 -9.057 10.393 1.389 1.00 0.35 H new ATOM 0 HD1 PHE B 50 -6.322 12.494 -0.017 1.00 1.33 H new ATOM 0 HD2 PHE B 50 -9.931 10.370 -0.804 1.00 1.63 H new ATOM 0 HE1 PHE B 50 -5.978 12.801 -2.430 1.00 1.67 H new ATOM 0 HE2 PHE B 50 -9.589 10.676 -3.215 1.00 2.10 H new ATOM 0 HZ PHE B 50 -7.614 11.895 -4.034 1.00 1.80 H new ATOM 2431 N THR B 51 -11.259 12.149 1.640 1.00 0.36 N ATOM 2432 CA THR B 51 -12.543 12.288 0.983 1.00 0.40 C ATOM 2433 C THR B 51 -13.344 13.488 1.495 1.00 0.45 C ATOM 2434 O THR B 51 -13.707 14.381 0.729 1.00 0.53 O ATOM 2435 CB THR B 51 -13.359 11.006 1.204 1.00 0.39 C ATOM 2436 OG1 THR B 51 -12.644 9.876 0.689 1.00 0.39 O ATOM 2437 CG2 THR B 51 -14.724 11.097 0.548 1.00 0.49 C ATOM 0 H THR B 51 -11.241 11.435 2.368 1.00 0.36 H new ATOM 0 HA THR B 51 -12.351 12.455 -0.077 1.00 0.40 H new ATOM 0 HB THR B 51 -13.509 10.884 2.277 1.00 0.39 H new ATOM 0 HG1 THR B 51 -11.934 9.625 1.316 1.00 0.39 H new ATOM 0 HG21 THR B 51 -15.275 10.173 0.724 1.00 0.49 H new ATOM 0 HG22 THR B 51 -15.277 11.935 0.972 1.00 0.49 H new ATOM 0 HG23 THR B 51 -14.603 11.248 -0.525 1.00 0.49 H new ATOM 2445 N LYS B 52 -13.590 13.515 2.797 1.00 0.47 N ATOM 2446 CA LYS B 52 -14.550 14.446 3.378 1.00 0.60 C ATOM 2447 C LYS B 52 -13.956 15.827 3.603 1.00 0.69 C ATOM 2448 O LYS B 52 -14.645 16.739 4.061 1.00 0.84 O ATOM 2449 CB LYS B 52 -15.077 13.905 4.701 1.00 0.70 C ATOM 2450 CG LYS B 52 -15.904 12.638 4.552 1.00 0.78 C ATOM 2451 CD LYS B 52 -16.572 12.248 5.860 1.00 1.07 C ATOM 2452 CE LYS B 52 -17.454 11.024 5.685 1.00 1.24 C ATOM 2453 NZ LYS B 52 -18.102 10.617 6.959 1.00 1.82 N ATOM 0 H LYS B 52 -13.137 12.901 3.474 1.00 0.47 H new ATOM 0 HA LYS B 52 -15.365 14.545 2.661 1.00 0.60 H new ATOM 0 HB2 LYS B 52 -14.235 13.704 5.363 1.00 0.70 H new ATOM 0 HB3 LYS B 52 -15.685 14.672 5.182 1.00 0.70 H new ATOM 0 HG2 LYS B 52 -16.664 12.787 3.785 1.00 0.78 H new ATOM 0 HG3 LYS B 52 -15.264 11.823 4.213 1.00 0.78 H new ATOM 0 HD2 LYS B 52 -15.811 12.046 6.614 1.00 1.07 H new ATOM 0 HD3 LYS B 52 -17.171 13.081 6.228 1.00 1.07 H new ATOM 0 HE2 LYS B 52 -18.221 11.234 4.939 1.00 1.24 H new ATOM 0 HE3 LYS B 52 -16.855 10.197 5.303 1.00 1.24 H new ATOM 0 HZ1 LYS B 52 -18.695 9.778 6.795 1.00 1.82 H new ATOM 0 HZ2 LYS B 52 -17.371 10.392 7.664 1.00 1.82 H new ATOM 0 HZ3 LYS B 52 -18.694 11.396 7.311 1.00 1.82 H new ATOM 2546 N GLY B 58 -17.945 12.107 -4.596 1.00 0.67 N ATOM 2547 CA GLY B 58 -18.009 11.883 -6.025 1.00 0.56 C ATOM 2548 C GLY B 58 -16.661 11.504 -6.598 1.00 0.49 C ATOM 2549 O GLY B 58 -16.575 10.935 -7.685 1.00 0.48 O ATOM 0 HA2 GLY B 58 -18.729 11.092 -6.237 1.00 0.56 H new ATOM 0 HA3 GLY B 58 -18.372 12.785 -6.518 1.00 0.56 H new ATOM 2553 N VAL B 59 -15.604 11.824 -5.864 1.00 0.52 N ATOM 2554 CA VAL B 59 -14.259 11.455 -6.269 1.00 0.52 C ATOM 2555 C VAL B 59 -14.084 9.954 -6.241 1.00 0.49 C ATOM 2556 O VAL B 59 -13.391 9.394 -7.074 1.00 0.49 O ATOM 2557 CB VAL B 59 -13.182 12.080 -5.366 1.00 0.61 C ATOM 2558 CG1 VAL B 59 -13.389 11.662 -3.923 1.00 0.65 C ATOM 2559 CG2 VAL B 59 -11.796 11.669 -5.834 1.00 0.66 C ATOM 0 H VAL B 59 -15.654 12.339 -4.985 1.00 0.52 H new ATOM 0 HA VAL B 59 -14.133 11.836 -7.282 1.00 0.52 H new ATOM 0 HB VAL B 59 -13.268 13.165 -5.430 1.00 0.61 H new ATOM 0 HG11 VAL B 59 -12.618 12.114 -3.299 1.00 0.65 H new ATOM 0 HG12 VAL B 59 -14.370 11.995 -3.585 1.00 0.65 H new ATOM 0 HG13 VAL B 59 -13.328 10.576 -3.846 1.00 0.65 H new ATOM 0 HG21 VAL B 59 -11.045 12.119 -5.185 1.00 0.66 H new ATOM 0 HG22 VAL B 59 -11.706 10.583 -5.795 1.00 0.66 H new ATOM 0 HG23 VAL B 59 -11.642 12.009 -6.858 1.00 0.66 H new ATOM 2569 N LEU B 60 -14.731 9.307 -5.289 1.00 0.48 N ATOM 2570 CA LEU B 60 -14.601 7.867 -5.136 1.00 0.46 C ATOM 2571 C LEU B 60 -15.189 7.175 -6.351 1.00 0.43 C ATOM 2572 O LEU B 60 -14.894 6.019 -6.634 1.00 0.41 O ATOM 2573 CB LEU B 60 -15.305 7.380 -3.871 1.00 0.48 C ATOM 2574 CG LEU B 60 -15.160 8.292 -2.650 1.00 0.52 C ATOM 2575 CD1 LEU B 60 -16.004 7.777 -1.495 1.00 0.51 C ATOM 2576 CD2 LEU B 60 -13.701 8.410 -2.242 1.00 0.52 C ATOM 0 H LEU B 60 -15.350 9.753 -4.612 1.00 0.48 H new ATOM 0 HA LEU B 60 -13.542 7.624 -5.048 1.00 0.46 H new ATOM 0 HB2 LEU B 60 -16.366 7.258 -4.089 1.00 0.48 H new ATOM 0 HB3 LEU B 60 -14.917 6.394 -3.616 1.00 0.48 H new ATOM 0 HG LEU B 60 -15.520 9.286 -2.917 1.00 0.52 H new ATOM 0 HD11 LEU B 60 -15.888 8.438 -0.636 1.00 0.51 H new ATOM 0 HD12 LEU B 60 -17.052 7.751 -1.794 1.00 0.51 H new ATOM 0 HD13 LEU B 60 -15.678 6.772 -1.226 1.00 0.51 H new ATOM 0 HD21 LEU B 60 -13.618 9.062 -1.373 1.00 0.52 H new ATOM 0 HD22 LEU B 60 -13.312 7.423 -1.994 1.00 0.52 H new ATOM 0 HD23 LEU B 60 -13.125 8.830 -3.067 1.00 0.52 H new ATOM 2588 N ASP B 61 -16.018 7.914 -7.073 1.00 0.46 N ATOM 2589 CA ASP B 61 -16.610 7.424 -8.313 1.00 0.46 C ATOM 2590 C ASP B 61 -15.589 7.512 -9.433 1.00 0.47 C ATOM 2591 O ASP B 61 -15.586 6.710 -10.366 1.00 0.51 O ATOM 2592 CB ASP B 61 -17.854 8.240 -8.663 1.00 0.47 C ATOM 2593 CG ASP B 61 -18.713 7.583 -9.730 1.00 0.48 C ATOM 2594 OD1 ASP B 61 -18.442 7.785 -10.932 1.00 1.22 O ATOM 2595 OD2 ASP B 61 -19.679 6.875 -9.372 1.00 1.19 O ATOM 0 H ASP B 61 -16.299 8.862 -6.821 1.00 0.46 H new ATOM 0 HA ASP B 61 -16.907 6.383 -8.182 1.00 0.46 H new ATOM 0 HB2 ASP B 61 -18.451 8.386 -7.763 1.00 0.47 H new ATOM 0 HB3 ASP B 61 -17.549 9.228 -9.007 1.00 0.47 H new ATOM 2600 N ARG B 62 -14.707 8.484 -9.307 1.00 0.47 N ATOM 2601 CA ARG B 62 -13.613 8.658 -10.243 1.00 0.51 C ATOM 2602 C ARG B 62 -12.542 7.623 -9.935 1.00 0.50 C ATOM 2603 O ARG B 62 -11.959 7.013 -10.830 1.00 0.56 O ATOM 2604 CB ARG B 62 -13.038 10.067 -10.114 1.00 0.55 C ATOM 2605 CG ARG B 62 -14.101 11.127 -9.882 1.00 0.55 C ATOM 2606 CD ARG B 62 -13.488 12.501 -9.686 1.00 0.62 C ATOM 2607 NE ARG B 62 -12.893 13.019 -10.918 1.00 1.45 N ATOM 2608 CZ ARG B 62 -12.245 14.182 -11.007 1.00 1.97 C ATOM 2609 NH1 ARG B 62 -12.107 14.957 -9.938 1.00 1.66 N ATOM 2610 NH2 ARG B 62 -11.739 14.570 -12.169 1.00 3.02 N ATOM 0 H ARG B 62 -14.728 9.173 -8.556 1.00 0.47 H new ATOM 0 HA ARG B 62 -13.970 8.524 -11.264 1.00 0.51 H new ATOM 0 HB2 ARG B 62 -12.326 10.088 -9.289 1.00 0.55 H new ATOM 0 HB3 ARG B 62 -12.483 10.310 -11.020 1.00 0.55 H new ATOM 0 HG2 ARG B 62 -14.783 11.151 -10.732 1.00 0.55 H new ATOM 0 HG3 ARG B 62 -14.693 10.864 -9.005 1.00 0.55 H new ATOM 0 HD2 ARG B 62 -14.254 13.193 -9.335 1.00 0.62 H new ATOM 0 HD3 ARG B 62 -12.725 12.450 -8.909 1.00 0.62 H new ATOM 0 HE ARG B 62 -12.979 12.455 -11.763 1.00 1.45 H new ATOM 0 HH11 ARG B 62 -12.497 14.665 -9.042 1.00 1.66 H new ATOM 0 HH12 ARG B 62 -11.611 15.845 -10.012 1.00 1.66 H new ATOM 0 HH21 ARG B 62 -11.845 13.980 -12.994 1.00 3.02 H new ATOM 0 HH22 ARG B 62 -11.243 15.459 -12.238 1.00 3.02 H new ATOM 2624 N MET B 63 -12.307 7.433 -8.638 1.00 0.45 N ATOM 2625 CA MET B 63 -11.401 6.404 -8.150 1.00 0.44 C ATOM 2626 C MET B 63 -11.894 5.054 -8.614 1.00 0.41 C ATOM 2627 O MET B 63 -11.133 4.266 -9.159 1.00 0.42 O ATOM 2628 CB MET B 63 -11.330 6.414 -6.624 1.00 0.43 C ATOM 2629 CG MET B 63 -11.082 7.790 -6.042 1.00 0.49 C ATOM 2630 SD MET B 63 -9.464 8.463 -6.480 1.00 0.63 S ATOM 2631 CE MET B 63 -8.378 7.412 -5.518 1.00 1.54 C ATOM 0 H MET B 63 -12.740 7.988 -7.900 1.00 0.45 H new ATOM 0 HA MET B 63 -10.404 6.603 -8.544 1.00 0.44 H new ATOM 0 HB2 MET B 63 -12.263 6.020 -6.222 1.00 0.43 H new ATOM 0 HB3 MET B 63 -10.535 5.742 -6.300 1.00 0.43 H new ATOM 0 HG2 MET B 63 -11.859 8.471 -6.391 1.00 0.49 H new ATOM 0 HG3 MET B 63 -11.166 7.739 -4.956 1.00 0.49 H new ATOM 0 HE1 MET B 63 -7.373 7.834 -5.514 1.00 1.54 H new ATOM 0 HE2 MET B 63 -8.748 7.346 -4.495 1.00 1.54 H new ATOM 0 HE3 MET B 63 -8.352 6.416 -5.959 1.00 1.54 H new ATOM 2641 N MET B 64 -13.187 4.820 -8.400 1.00 0.41 N ATOM 2642 CA MET B 64 -13.851 3.602 -8.832 1.00 0.42 C ATOM 2643 C MET B 64 -13.415 3.208 -10.221 1.00 0.44 C ATOM 2644 O MET B 64 -12.845 2.158 -10.419 1.00 0.41 O ATOM 2645 CB MET B 64 -15.367 3.791 -8.839 1.00 0.55 C ATOM 2646 CG MET B 64 -16.116 2.675 -9.553 1.00 0.65 C ATOM 2647 SD MET B 64 -17.830 3.103 -9.896 1.00 1.87 S ATOM 2648 CE MET B 64 -18.397 1.600 -10.685 1.00 2.41 C ATOM 0 H MET B 64 -13.803 5.476 -7.919 1.00 0.41 H new ATOM 0 HA MET B 64 -13.575 2.817 -8.128 1.00 0.42 H new ATOM 0 HB2 MET B 64 -15.722 3.855 -7.810 1.00 0.55 H new ATOM 0 HB3 MET B 64 -15.604 4.741 -9.318 1.00 0.55 H new ATOM 0 HG2 MET B 64 -15.609 2.443 -10.489 1.00 0.65 H new ATOM 0 HG3 MET B 64 -16.086 1.773 -8.942 1.00 0.65 H new ATOM 0 HE1 MET B 64 -19.343 1.790 -11.192 1.00 2.41 H new ATOM 0 HE2 MET B 64 -17.656 1.269 -11.412 1.00 2.41 H new ATOM 0 HE3 MET B 64 -18.538 0.825 -9.932 1.00 2.41 H new ATOM 2658 N LYS B 65 -13.654 4.087 -11.167 1.00 0.52 N ATOM 2659 CA LYS B 65 -13.470 3.751 -12.570 1.00 0.56 C ATOM 2660 C LYS B 65 -12.000 3.718 -12.964 1.00 0.54 C ATOM 2661 O LYS B 65 -11.624 3.067 -13.936 1.00 0.60 O ATOM 2662 CB LYS B 65 -14.258 4.732 -13.419 1.00 0.67 C ATOM 2663 CG LYS B 65 -15.724 4.761 -13.026 1.00 0.79 C ATOM 2664 CD LYS B 65 -16.422 3.439 -13.328 1.00 0.86 C ATOM 2665 CE LYS B 65 -16.387 3.094 -14.810 1.00 1.57 C ATOM 2666 NZ LYS B 65 -17.039 4.135 -15.646 1.00 2.49 N ATOM 0 H LYS B 65 -13.976 5.040 -10.996 1.00 0.52 H new ATOM 0 HA LYS B 65 -13.847 2.743 -12.743 1.00 0.56 H new ATOM 0 HB2 LYS B 65 -13.832 5.730 -13.312 1.00 0.67 H new ATOM 0 HB3 LYS B 65 -14.168 4.458 -14.470 1.00 0.67 H new ATOM 0 HG2 LYS B 65 -15.810 4.982 -11.962 1.00 0.79 H new ATOM 0 HG3 LYS B 65 -16.227 5.567 -13.560 1.00 0.79 H new ATOM 0 HD2 LYS B 65 -15.945 2.640 -12.760 1.00 0.86 H new ATOM 0 HD3 LYS B 65 -17.458 3.493 -12.994 1.00 0.86 H new ATOM 0 HE2 LYS B 65 -15.352 2.971 -15.128 1.00 1.57 H new ATOM 0 HE3 LYS B 65 -16.885 2.138 -14.970 1.00 1.57 H new ATOM 0 HZ1 LYS B 65 -17.128 3.790 -16.623 1.00 2.49 H new ATOM 0 HZ2 LYS B 65 -17.984 4.344 -15.266 1.00 2.49 H new ATOM 0 HZ3 LYS B 65 -16.462 5.000 -15.635 1.00 2.49 H new ATOM 2680 N LYS B 66 -11.173 4.412 -12.202 1.00 0.50 N ATOM 2681 CA LYS B 66 -9.730 4.355 -12.389 1.00 0.52 C ATOM 2682 C LYS B 66 -9.189 3.006 -11.932 1.00 0.48 C ATOM 2683 O LYS B 66 -8.284 2.431 -12.542 1.00 0.54 O ATOM 2684 CB LYS B 66 -9.061 5.472 -11.585 1.00 0.55 C ATOM 2685 CG LYS B 66 -7.552 5.335 -11.477 1.00 0.91 C ATOM 2686 CD LYS B 66 -6.932 6.515 -10.744 1.00 0.96 C ATOM 2687 CE LYS B 66 -7.536 6.714 -9.360 1.00 0.73 C ATOM 2688 NZ LYS B 66 -6.953 7.895 -8.674 1.00 1.47 N ATOM 0 H LYS B 66 -11.476 5.024 -11.445 1.00 0.50 H new ATOM 0 HA LYS B 66 -9.509 4.484 -13.449 1.00 0.52 H new ATOM 0 HB2 LYS B 66 -9.297 6.430 -12.048 1.00 0.55 H new ATOM 0 HB3 LYS B 66 -9.487 5.489 -10.582 1.00 0.55 H new ATOM 0 HG2 LYS B 66 -7.307 4.411 -10.953 1.00 0.91 H new ATOM 0 HG3 LYS B 66 -7.121 5.259 -12.475 1.00 0.91 H new ATOM 0 HD2 LYS B 66 -5.857 6.359 -10.651 1.00 0.96 H new ATOM 0 HD3 LYS B 66 -7.072 7.421 -11.333 1.00 0.96 H new ATOM 0 HE2 LYS B 66 -8.615 6.840 -9.448 1.00 0.73 H new ATOM 0 HE3 LYS B 66 -7.367 5.822 -8.757 1.00 0.73 H new ATOM 0 HZ1 LYS B 66 -7.622 8.247 -7.959 1.00 1.47 H new ATOM 0 HZ2 LYS B 66 -6.063 7.623 -8.211 1.00 1.47 H new ATOM 0 HZ3 LYS B 66 -6.766 8.644 -9.371 1.00 1.47 H new ATOM 2702 N LEU B 67 -9.759 2.511 -10.852 1.00 0.41 N ATOM 2703 CA LEU B 67 -9.265 1.319 -10.195 1.00 0.39 C ATOM 2704 C LEU B 67 -10.024 0.077 -10.632 1.00 0.40 C ATOM 2705 O LEU B 67 -9.507 -1.028 -10.549 1.00 0.46 O ATOM 2706 CB LEU B 67 -9.406 1.491 -8.700 1.00 0.34 C ATOM 2707 CG LEU B 67 -8.854 2.806 -8.146 1.00 0.33 C ATOM 2708 CD1 LEU B 67 -9.288 2.996 -6.708 1.00 0.30 C ATOM 2709 CD2 LEU B 67 -7.339 2.856 -8.263 1.00 0.37 C ATOM 0 H LEU B 67 -10.578 2.924 -10.405 1.00 0.41 H new ATOM 0 HA LEU B 67 -8.219 1.185 -10.472 1.00 0.39 H new ATOM 0 HB2 LEU B 67 -10.462 1.419 -8.439 1.00 0.34 H new ATOM 0 HB3 LEU B 67 -8.898 0.664 -8.205 1.00 0.34 H new ATOM 0 HG LEU B 67 -9.261 3.623 -8.741 1.00 0.33 H new ATOM 0 HD11 LEU B 67 -8.887 3.936 -6.328 1.00 0.30 H new ATOM 0 HD12 LEU B 67 -10.377 3.018 -6.656 1.00 0.30 H new ATOM 0 HD13 LEU B 67 -8.913 2.171 -6.103 1.00 0.30 H new ATOM 0 HD21 LEU B 67 -6.974 3.801 -7.862 1.00 0.37 H new ATOM 0 HD22 LEU B 67 -6.903 2.031 -7.700 1.00 0.37 H new ATOM 0 HD23 LEU B 67 -7.052 2.772 -9.311 1.00 0.37 H new ATOM 2721 N ASP B 68 -11.263 0.261 -11.063 1.00 0.39 N ATOM 2722 CA ASP B 68 -12.099 -0.842 -11.531 1.00 0.42 C ATOM 2723 C ASP B 68 -11.569 -1.368 -12.852 1.00 0.52 C ATOM 2724 O ASP B 68 -12.164 -1.214 -13.918 1.00 0.57 O ATOM 2725 CB ASP B 68 -13.560 -0.400 -11.647 1.00 0.43 C ATOM 2726 CG ASP B 68 -14.471 -1.448 -12.272 1.00 0.46 C ATOM 2727 OD1 ASP B 68 -14.483 -2.609 -11.806 1.00 1.23 O ATOM 2728 OD2 ASP B 68 -15.197 -1.104 -13.229 1.00 1.13 O ATOM 0 H ASP B 68 -11.718 1.173 -11.099 1.00 0.39 H new ATOM 0 HA ASP B 68 -12.061 -1.652 -10.803 1.00 0.42 H new ATOM 0 HB2 ASP B 68 -13.935 -0.152 -10.654 1.00 0.43 H new ATOM 0 HB3 ASP B 68 -13.608 0.512 -12.243 1.00 0.43 H new ATOM 2733 N THR B 69 -10.411 -1.967 -12.746 1.00 0.58 N ATOM 2734 CA THR B 69 -9.733 -2.569 -13.860 1.00 0.74 C ATOM 2735 C THR B 69 -10.399 -3.897 -14.201 1.00 0.83 C ATOM 2736 O THR B 69 -10.186 -4.476 -15.267 1.00 0.99 O ATOM 2737 CB THR B 69 -8.257 -2.770 -13.494 1.00 0.79 C ATOM 2738 OG1 THR B 69 -7.435 -2.718 -14.667 1.00 0.91 O ATOM 2739 CG2 THR B 69 -8.049 -4.100 -12.789 1.00 0.82 C ATOM 0 H THR B 69 -9.905 -2.050 -11.864 1.00 0.58 H new ATOM 0 HA THR B 69 -9.792 -1.923 -14.736 1.00 0.74 H new ATOM 0 HB THR B 69 -7.970 -1.964 -12.819 1.00 0.79 H new ATOM 0 HG1 THR B 69 -6.497 -2.847 -14.415 1.00 0.91 H new ATOM 0 HG21 THR B 69 -6.994 -4.219 -12.540 1.00 0.82 H new ATOM 0 HG22 THR B 69 -8.643 -4.124 -11.875 1.00 0.82 H new ATOM 0 HG23 THR B 69 -8.361 -4.912 -13.446 1.00 0.82 H new ATOM 2747 N ASN B 70 -11.230 -4.353 -13.272 1.00 0.80 N ATOM 2748 CA ASN B 70 -11.971 -5.589 -13.427 1.00 0.94 C ATOM 2749 C ASN B 70 -13.243 -5.314 -14.213 1.00 0.86 C ATOM 2750 O ASN B 70 -13.953 -6.226 -14.642 1.00 0.98 O ATOM 2751 CB ASN B 70 -12.302 -6.152 -12.047 1.00 1.00 C ATOM 2752 CG ASN B 70 -12.635 -7.632 -12.071 1.00 1.25 C ATOM 2753 OD1 ASN B 70 -13.793 -8.019 -12.207 1.00 1.46 O ATOM 2754 ND2 ASN B 70 -11.621 -8.472 -11.924 1.00 1.66 N ATOM 0 H ASN B 70 -11.406 -3.872 -12.390 1.00 0.80 H new ATOM 0 HA ASN B 70 -11.374 -6.321 -13.971 1.00 0.94 H new ATOM 0 HB2 ASN B 70 -11.455 -5.987 -11.381 1.00 1.00 H new ATOM 0 HB3 ASN B 70 -13.146 -5.603 -11.630 1.00 1.00 H new ATOM 0 HD21 ASN B 70 -11.789 -9.478 -11.921 1.00 1.66 H new ATOM 0 HD22 ASN B 70 -10.673 -8.113 -11.814 1.00 1.66 H new ATOM 2761 N SER B 71 -13.490 -4.015 -14.396 1.00 0.70 N ATOM 2762 CA SER B 71 -14.607 -3.485 -15.171 1.00 0.66 C ATOM 2763 C SER B 71 -15.940 -4.104 -14.772 1.00 0.61 C ATOM 2764 O SER B 71 -16.783 -4.400 -15.619 1.00 0.66 O ATOM 2765 CB SER B 71 -14.350 -3.637 -16.677 1.00 0.82 C ATOM 2766 OG SER B 71 -13.968 -4.961 -17.017 1.00 1.48 O ATOM 0 H SER B 71 -12.900 -3.285 -13.997 1.00 0.70 H new ATOM 0 HA SER B 71 -14.677 -2.422 -14.941 1.00 0.66 H new ATOM 0 HB2 SER B 71 -15.250 -3.366 -17.228 1.00 0.82 H new ATOM 0 HB3 SER B 71 -13.567 -2.943 -16.984 1.00 0.82 H new ATOM 0 HG SER B 71 -14.218 -5.570 -16.291 1.00 1.48 H new ATOM 2772 N ASP B 72 -16.129 -4.276 -13.475 1.00 0.58 N ATOM 2773 CA ASP B 72 -17.369 -4.826 -12.948 1.00 0.65 C ATOM 2774 C ASP B 72 -18.014 -3.821 -12.008 1.00 0.56 C ATOM 2775 O ASP B 72 -19.205 -3.901 -11.701 1.00 0.66 O ATOM 2776 CB ASP B 72 -17.102 -6.143 -12.209 1.00 0.80 C ATOM 2777 CG ASP B 72 -18.370 -6.782 -11.669 1.00 0.92 C ATOM 2778 OD1 ASP B 72 -19.135 -7.371 -12.462 1.00 1.56 O ATOM 2779 OD2 ASP B 72 -18.602 -6.717 -10.446 1.00 1.53 O ATOM 0 H ASP B 72 -15.437 -4.042 -12.763 1.00 0.58 H new ATOM 0 HA ASP B 72 -18.046 -5.029 -13.778 1.00 0.65 H new ATOM 0 HB2 ASP B 72 -16.609 -6.841 -12.886 1.00 0.80 H new ATOM 0 HB3 ASP B 72 -16.414 -5.959 -11.384 1.00 0.80 H new ATOM 2784 N GLY B 73 -17.222 -2.856 -11.570 1.00 0.45 N ATOM 2785 CA GLY B 73 -17.702 -1.884 -10.619 1.00 0.46 C ATOM 2786 C GLY B 73 -17.196 -2.191 -9.235 1.00 0.41 C ATOM 2787 O GLY B 73 -17.761 -1.738 -8.239 1.00 0.44 O ATOM 0 H GLY B 73 -16.252 -2.730 -11.859 1.00 0.45 H new ATOM 0 HA2 GLY B 73 -17.377 -0.887 -10.916 1.00 0.46 H new ATOM 0 HA3 GLY B 73 -18.792 -1.877 -10.619 1.00 0.46 H new ATOM 2791 N GLN B 74 -16.130 -2.974 -9.179 1.00 0.38 N ATOM 2792 CA GLN B 74 -15.539 -3.368 -7.924 1.00 0.37 C ATOM 2793 C GLN B 74 -14.039 -3.162 -7.981 1.00 0.36 C ATOM 2794 O GLN B 74 -13.446 -3.107 -9.058 1.00 0.39 O ATOM 2795 CB GLN B 74 -15.813 -4.835 -7.611 1.00 0.38 C ATOM 2796 CG GLN B 74 -17.271 -5.240 -7.628 1.00 0.41 C ATOM 2797 CD GLN B 74 -17.488 -6.597 -6.995 1.00 0.49 C ATOM 2798 OE1 GLN B 74 -17.466 -7.624 -7.668 1.00 1.02 O ATOM 2799 NE2 GLN B 74 -17.675 -6.612 -5.686 1.00 1.25 N ATOM 0 H GLN B 74 -15.657 -3.349 -10.001 1.00 0.38 H new ATOM 0 HA GLN B 74 -15.985 -2.753 -7.142 1.00 0.37 H new ATOM 0 HB2 GLN B 74 -15.274 -5.450 -8.332 1.00 0.38 H new ATOM 0 HB3 GLN B 74 -15.402 -5.062 -6.628 1.00 0.38 H new ATOM 0 HG2 GLN B 74 -17.861 -4.493 -7.097 1.00 0.41 H new ATOM 0 HG3 GLN B 74 -17.631 -5.258 -8.657 1.00 0.41 H new ATOM 0 HE21 GLN B 74 -17.687 -5.737 -5.162 1.00 1.25 H new ATOM 0 HE22 GLN B 74 -17.808 -7.499 -5.200 1.00 1.25 H new ATOM 2808 N LEU B 75 -13.435 -3.077 -6.821 1.00 0.33 N ATOM 2809 CA LEU B 75 -12.007 -2.865 -6.719 1.00 0.31 C ATOM 2810 C LEU B 75 -11.345 -4.046 -6.079 1.00 0.32 C ATOM 2811 O LEU B 75 -11.610 -4.373 -4.928 1.00 0.32 O ATOM 2812 CB LEU B 75 -11.707 -1.616 -5.910 1.00 0.31 C ATOM 2813 CG LEU B 75 -12.348 -0.347 -6.456 1.00 0.32 C ATOM 2814 CD1 LEU B 75 -11.830 0.875 -5.720 1.00 0.35 C ATOM 2815 CD2 LEU B 75 -12.094 -0.246 -7.950 1.00 0.35 C ATOM 0 H LEU B 75 -13.914 -3.152 -5.924 1.00 0.33 H new ATOM 0 HA LEU B 75 -11.614 -2.738 -7.728 1.00 0.31 H new ATOM 0 HB2 LEU B 75 -12.048 -1.770 -4.886 1.00 0.31 H new ATOM 0 HB3 LEU B 75 -10.627 -1.475 -5.869 1.00 0.31 H new ATOM 0 HG LEU B 75 -13.425 -0.392 -6.294 1.00 0.32 H new ATOM 0 HD11 LEU B 75 -12.301 1.771 -6.126 1.00 0.35 H new ATOM 0 HD12 LEU B 75 -12.067 0.789 -4.660 1.00 0.35 H new ATOM 0 HD13 LEU B 75 -10.749 0.944 -5.845 1.00 0.35 H new ATOM 0 HD21 LEU B 75 -12.554 0.663 -8.337 1.00 0.35 H new ATOM 0 HD22 LEU B 75 -11.020 -0.216 -8.135 1.00 0.35 H new ATOM 0 HD23 LEU B 75 -12.525 -1.112 -8.452 1.00 0.35 H new ATOM 2827 N ASP B 76 -10.475 -4.681 -6.819 1.00 0.35 N ATOM 2828 CA ASP B 76 -9.841 -5.873 -6.318 1.00 0.36 C ATOM 2829 C ASP B 76 -8.603 -5.504 -5.548 1.00 0.33 C ATOM 2830 O ASP B 76 -8.224 -4.339 -5.500 1.00 0.32 O ATOM 2831 CB ASP B 76 -9.539 -6.863 -7.441 1.00 0.44 C ATOM 2832 CG ASP B 76 -8.257 -6.573 -8.207 1.00 0.91 C ATOM 2833 OD1 ASP B 76 -7.175 -7.010 -7.760 1.00 1.44 O ATOM 2834 OD2 ASP B 76 -8.330 -5.944 -9.280 1.00 1.68 O ATOM 0 H ASP B 76 -10.192 -4.399 -7.757 1.00 0.35 H new ATOM 0 HA ASP B 76 -10.530 -6.377 -5.640 1.00 0.36 H new ATOM 0 HB2 ASP B 76 -9.476 -7.866 -7.018 1.00 0.44 H new ATOM 0 HB3 ASP B 76 -10.374 -6.865 -8.142 1.00 0.44 H new ATOM 2839 N PHE B 77 -8.003 -6.492 -4.930 1.00 0.40 N ATOM 2840 CA PHE B 77 -6.884 -6.287 -4.033 1.00 0.49 C ATOM 2841 C PHE B 77 -5.788 -5.426 -4.651 1.00 0.39 C ATOM 2842 O PHE B 77 -5.333 -4.465 -4.040 1.00 0.38 O ATOM 2843 CB PHE B 77 -6.350 -7.642 -3.578 1.00 0.72 C ATOM 2844 CG PHE B 77 -6.008 -8.620 -4.676 1.00 1.75 C ATOM 2845 CD1 PHE B 77 -7.001 -9.258 -5.404 1.00 2.66 C ATOM 2846 CD2 PHE B 77 -4.687 -8.917 -4.961 1.00 2.56 C ATOM 2847 CE1 PHE B 77 -6.681 -10.163 -6.395 1.00 3.77 C ATOM 2848 CE2 PHE B 77 -4.360 -9.821 -5.953 1.00 3.67 C ATOM 2849 CZ PHE B 77 -5.359 -10.445 -6.671 1.00 4.14 C ATOM 0 H PHE B 77 -8.277 -7.469 -5.034 1.00 0.40 H new ATOM 0 HA PHE B 77 -7.238 -5.731 -3.165 1.00 0.49 H new ATOM 0 HB2 PHE B 77 -5.457 -7.475 -2.976 1.00 0.72 H new ATOM 0 HB3 PHE B 77 -7.092 -8.103 -2.926 1.00 0.72 H new ATOM 0 HD1 PHE B 77 -8.038 -9.044 -5.192 1.00 2.66 H new ATOM 0 HD2 PHE B 77 -3.900 -8.435 -4.400 1.00 2.56 H new ATOM 0 HE1 PHE B 77 -7.465 -10.651 -6.955 1.00 3.77 H new ATOM 0 HE2 PHE B 77 -3.324 -10.039 -6.166 1.00 3.67 H new ATOM 0 HZ PHE B 77 -5.107 -11.152 -7.447 1.00 4.14 H new ATOM 2859 N SER B 78 -5.403 -5.756 -5.866 1.00 0.38 N ATOM 2860 CA SER B 78 -4.393 -5.005 -6.588 1.00 0.38 C ATOM 2861 C SER B 78 -4.840 -3.563 -6.806 1.00 0.38 C ATOM 2862 O SER B 78 -4.042 -2.632 -6.736 1.00 0.44 O ATOM 2863 CB SER B 78 -4.142 -5.666 -7.941 1.00 0.44 C ATOM 2864 OG SER B 78 -4.584 -7.015 -7.933 1.00 1.32 O ATOM 0 H SER B 78 -5.780 -6.551 -6.382 1.00 0.38 H new ATOM 0 HA SER B 78 -3.477 -4.999 -5.997 1.00 0.38 H new ATOM 0 HB2 SER B 78 -4.662 -5.113 -8.723 1.00 0.44 H new ATOM 0 HB3 SER B 78 -3.079 -5.628 -8.177 1.00 0.44 H new ATOM 0 HG SER B 78 -5.516 -7.056 -8.232 1.00 1.32 H new ATOM 2870 N GLU B 79 -6.130 -3.382 -7.034 1.00 0.36 N ATOM 2871 CA GLU B 79 -6.650 -2.083 -7.433 1.00 0.42 C ATOM 2872 C GLU B 79 -6.978 -1.223 -6.227 1.00 0.33 C ATOM 2873 O GLU B 79 -6.866 0.002 -6.273 1.00 0.33 O ATOM 2874 CB GLU B 79 -7.860 -2.252 -8.331 1.00 0.51 C ATOM 2875 CG GLU B 79 -7.532 -2.998 -9.608 1.00 0.64 C ATOM 2876 CD GLU B 79 -6.278 -2.473 -10.287 1.00 1.81 C ATOM 2877 OE1 GLU B 79 -6.310 -1.348 -10.832 1.00 2.54 O ATOM 2878 OE2 GLU B 79 -5.252 -3.188 -10.282 1.00 2.57 O ATOM 0 H GLU B 79 -6.835 -4.114 -6.950 1.00 0.36 H new ATOM 0 HA GLU B 79 -5.874 -1.566 -7.997 1.00 0.42 H new ATOM 0 HB2 GLU B 79 -8.639 -2.789 -7.789 1.00 0.51 H new ATOM 0 HB3 GLU B 79 -8.264 -1.271 -8.580 1.00 0.51 H new ATOM 0 HG2 GLU B 79 -7.402 -4.057 -9.383 1.00 0.64 H new ATOM 0 HG3 GLU B 79 -8.373 -2.919 -10.297 1.00 0.64 H new ATOM 2885 N PHE B 80 -7.374 -1.866 -5.144 1.00 0.28 N ATOM 2886 CA PHE B 80 -7.522 -1.184 -3.874 1.00 0.25 C ATOM 2887 C PHE B 80 -6.168 -0.654 -3.439 1.00 0.23 C ATOM 2888 O PHE B 80 -6.059 0.389 -2.805 1.00 0.26 O ATOM 2889 CB PHE B 80 -8.069 -2.132 -2.810 1.00 0.31 C ATOM 2890 CG PHE B 80 -8.144 -1.511 -1.447 1.00 0.71 C ATOM 2891 CD1 PHE B 80 -9.117 -0.574 -1.153 1.00 1.26 C ATOM 2892 CD2 PHE B 80 -7.232 -1.860 -0.462 1.00 1.60 C ATOM 2893 CE1 PHE B 80 -9.182 0.007 0.096 1.00 1.56 C ATOM 2894 CE2 PHE B 80 -7.293 -1.284 0.790 1.00 1.98 C ATOM 2895 CZ PHE B 80 -8.269 -0.349 1.069 1.00 1.64 C ATOM 0 H PHE B 80 -7.599 -2.861 -5.120 1.00 0.28 H new ATOM 0 HA PHE B 80 -8.227 -0.361 -3.993 1.00 0.25 H new ATOM 0 HB2 PHE B 80 -9.064 -2.464 -3.106 1.00 0.31 H new ATOM 0 HB3 PHE B 80 -7.437 -3.019 -2.764 1.00 0.31 H new ATOM 0 HD1 PHE B 80 -9.834 -0.294 -1.910 1.00 1.26 H new ATOM 0 HD2 PHE B 80 -6.466 -2.590 -0.677 1.00 1.60 H new ATOM 0 HE1 PHE B 80 -9.946 0.739 0.313 1.00 1.56 H new ATOM 0 HE2 PHE B 80 -6.579 -1.564 1.550 1.00 1.98 H new ATOM 0 HZ PHE B 80 -8.319 0.104 2.048 1.00 1.64 H new ATOM 2905 N LEU B 81 -5.135 -1.390 -3.801 1.00 0.25 N ATOM 2906 CA LEU B 81 -3.776 -0.994 -3.505 1.00 0.26 C ATOM 2907 C LEU B 81 -3.290 0.055 -4.484 1.00 0.26 C ATOM 2908 O LEU B 81 -2.385 0.824 -4.179 1.00 0.27 O ATOM 2909 CB LEU B 81 -2.872 -2.207 -3.532 1.00 0.29 C ATOM 2910 CG LEU B 81 -3.167 -3.227 -2.434 1.00 0.28 C ATOM 2911 CD1 LEU B 81 -2.289 -4.441 -2.611 1.00 0.33 C ATOM 2912 CD2 LEU B 81 -2.986 -2.610 -1.043 1.00 0.29 C ATOM 0 H LEU B 81 -5.215 -2.273 -4.305 1.00 0.25 H new ATOM 0 HA LEU B 81 -3.751 -0.554 -2.508 1.00 0.26 H new ATOM 0 HB2 LEU B 81 -2.966 -2.695 -4.502 1.00 0.29 H new ATOM 0 HB3 LEU B 81 -1.837 -1.878 -3.439 1.00 0.29 H new ATOM 0 HG LEU B 81 -4.209 -3.537 -2.517 1.00 0.28 H new ATOM 0 HD11 LEU B 81 -2.505 -5.164 -1.824 1.00 0.33 H new ATOM 0 HD12 LEU B 81 -2.485 -4.893 -3.583 1.00 0.33 H new ATOM 0 HD13 LEU B 81 -1.242 -4.144 -2.553 1.00 0.33 H new ATOM 0 HD21 LEU B 81 -3.203 -3.359 -0.282 1.00 0.29 H new ATOM 0 HD22 LEU B 81 -1.959 -2.264 -0.929 1.00 0.29 H new ATOM 0 HD23 LEU B 81 -3.668 -1.767 -0.927 1.00 0.29 H new ATOM 2924 N ASN B 82 -3.888 0.085 -5.665 1.00 0.26 N ATOM 2925 CA ASN B 82 -3.647 1.173 -6.594 1.00 0.26 C ATOM 2926 C ASN B 82 -4.262 2.442 -6.027 1.00 0.23 C ATOM 2927 O ASN B 82 -3.742 3.546 -6.199 1.00 0.24 O ATOM 2928 CB ASN B 82 -4.236 0.866 -7.976 1.00 0.30 C ATOM 2929 CG ASN B 82 -3.243 0.186 -8.901 1.00 0.78 C ATOM 2930 OD1 ASN B 82 -2.531 0.849 -9.658 1.00 1.50 O ATOM 2931 ND2 ASN B 82 -3.177 -1.135 -8.848 1.00 1.42 N ATOM 0 H ASN B 82 -4.538 -0.626 -5.999 1.00 0.26 H new ATOM 0 HA ASN B 82 -2.572 1.303 -6.720 1.00 0.26 H new ATOM 0 HB2 ASN B 82 -5.112 0.228 -7.859 1.00 0.30 H new ATOM 0 HB3 ASN B 82 -4.576 1.794 -8.435 1.00 0.30 H new ATOM 0 HD21 ASN B 82 -2.521 -1.637 -9.446 1.00 1.42 H new ATOM 0 HD22 ASN B 82 -3.782 -1.651 -8.209 1.00 1.42 H new ATOM 2938 N LEU B 83 -5.385 2.261 -5.347 1.00 0.23 N ATOM 2939 CA LEU B 83 -5.997 3.317 -4.563 1.00 0.24 C ATOM 2940 C LEU B 83 -5.067 3.755 -3.446 1.00 0.23 C ATOM 2941 O LEU B 83 -4.751 4.936 -3.316 1.00 0.25 O ATOM 2942 CB LEU B 83 -7.301 2.826 -3.952 1.00 0.27 C ATOM 2943 CG LEU B 83 -7.721 3.581 -2.698 1.00 0.31 C ATOM 2944 CD1 LEU B 83 -8.223 4.969 -3.054 1.00 0.35 C ATOM 2945 CD2 LEU B 83 -8.760 2.803 -1.914 1.00 0.36 C ATOM 0 H LEU B 83 -5.895 1.378 -5.325 1.00 0.23 H new ATOM 0 HA LEU B 83 -6.194 4.161 -5.224 1.00 0.24 H new ATOM 0 HB2 LEU B 83 -8.093 2.910 -4.696 1.00 0.27 H new ATOM 0 HB3 LEU B 83 -7.201 1.768 -3.710 1.00 0.27 H new ATOM 0 HG LEU B 83 -6.846 3.693 -2.058 1.00 0.31 H new ATOM 0 HD11 LEU B 83 -8.519 5.493 -2.145 1.00 0.35 H new ATOM 0 HD12 LEU B 83 -7.430 5.526 -3.553 1.00 0.35 H new ATOM 0 HD13 LEU B 83 -9.082 4.886 -3.720 1.00 0.35 H new ATOM 0 HD21 LEU B 83 -9.041 3.366 -1.024 1.00 0.36 H new ATOM 0 HD22 LEU B 83 -9.641 2.644 -2.536 1.00 0.36 H new ATOM 0 HD23 LEU B 83 -8.346 1.839 -1.618 1.00 0.36 H new ATOM 2957 N ILE B 84 -4.653 2.787 -2.632 1.00 0.24 N ATOM 2958 CA ILE B 84 -3.715 3.025 -1.546 1.00 0.26 C ATOM 2959 C ILE B 84 -2.476 3.740 -2.072 1.00 0.27 C ATOM 2960 O ILE B 84 -1.908 4.600 -1.403 1.00 0.29 O ATOM 2961 CB ILE B 84 -3.324 1.693 -0.863 1.00 0.29 C ATOM 2962 CG1 ILE B 84 -4.533 1.077 -0.148 1.00 0.55 C ATOM 2963 CG2 ILE B 84 -2.167 1.887 0.112 1.00 0.47 C ATOM 2964 CD1 ILE B 84 -5.137 1.962 0.917 1.00 0.62 C ATOM 0 H ILE B 84 -4.960 1.817 -2.709 1.00 0.24 H new ATOM 0 HA ILE B 84 -4.196 3.660 -0.802 1.00 0.26 H new ATOM 0 HB ILE B 84 -2.993 1.005 -1.641 1.00 0.29 H new ATOM 0 HG12 ILE B 84 -5.299 0.843 -0.888 1.00 0.55 H new ATOM 0 HG13 ILE B 84 -4.231 0.134 0.307 1.00 0.55 H new ATOM 0 HG21 ILE B 84 -1.917 0.932 0.575 1.00 0.47 H new ATOM 0 HG22 ILE B 84 -1.299 2.268 -0.425 1.00 0.47 H new ATOM 0 HG23 ILE B 84 -2.457 2.599 0.884 1.00 0.47 H new ATOM 0 HD11 ILE B 84 -5.986 1.454 1.374 1.00 0.62 H new ATOM 0 HD12 ILE B 84 -4.388 2.176 1.680 1.00 0.62 H new ATOM 0 HD13 ILE B 84 -5.473 2.896 0.466 1.00 0.62 H new ATOM 2976 N GLY B 85 -2.092 3.397 -3.295 1.00 0.26 N ATOM 2977 CA GLY B 85 -1.017 4.081 -3.962 1.00 0.29 C ATOM 2978 C GLY B 85 -1.350 5.534 -4.206 1.00 0.28 C ATOM 2979 O GLY B 85 -0.574 6.408 -3.855 1.00 0.32 O ATOM 0 H GLY B 85 -2.517 2.645 -3.838 1.00 0.26 H new ATOM 0 HA2 GLY B 85 -0.111 4.011 -3.360 1.00 0.29 H new ATOM 0 HA3 GLY B 85 -0.807 3.591 -4.912 1.00 0.29 H new ATOM 2983 N GLY B 86 -2.538 5.798 -4.749 1.00 0.27 N ATOM 2984 CA GLY B 86 -2.911 7.163 -5.084 1.00 0.30 C ATOM 2985 C GLY B 86 -3.058 8.006 -3.844 1.00 0.29 C ATOM 2986 O GLY B 86 -2.798 9.210 -3.849 1.00 0.34 O ATOM 0 H GLY B 86 -3.245 5.095 -4.962 1.00 0.27 H new ATOM 0 HA2 GLY B 86 -2.155 7.600 -5.737 1.00 0.30 H new ATOM 0 HA3 GLY B 86 -3.849 7.161 -5.639 1.00 0.30 H new ATOM 2990 N LEU B 87 -3.469 7.349 -2.782 1.00 0.25 N ATOM 2991 CA LEU B 87 -3.589 7.964 -1.478 1.00 0.25 C ATOM 2992 C LEU B 87 -2.210 8.295 -0.929 1.00 0.26 C ATOM 2993 O LEU B 87 -1.878 9.461 -0.696 1.00 0.29 O ATOM 2994 CB LEU B 87 -4.286 6.989 -0.541 1.00 0.25 C ATOM 2995 CG LEU B 87 -5.789 6.822 -0.742 1.00 0.26 C ATOM 2996 CD1 LEU B 87 -6.255 5.530 -0.099 1.00 0.26 C ATOM 2997 CD2 LEU B 87 -6.544 7.998 -0.146 1.00 0.35 C ATOM 0 H LEU B 87 -3.732 6.364 -2.799 1.00 0.25 H new ATOM 0 HA LEU B 87 -4.166 8.885 -1.560 1.00 0.25 H new ATOM 0 HB2 LEU B 87 -3.815 6.012 -0.650 1.00 0.25 H new ATOM 0 HB3 LEU B 87 -4.111 7.314 0.484 1.00 0.25 H new ATOM 0 HG LEU B 87 -5.993 6.786 -1.812 1.00 0.26 H new ATOM 0 HD11 LEU B 87 -7.329 5.417 -0.246 1.00 0.26 H new ATOM 0 HD12 LEU B 87 -5.735 4.688 -0.556 1.00 0.26 H new ATOM 0 HD13 LEU B 87 -6.036 5.555 0.968 1.00 0.26 H new ATOM 0 HD21 LEU B 87 -7.614 7.859 -0.300 1.00 0.35 H new ATOM 0 HD22 LEU B 87 -6.336 8.060 0.922 1.00 0.35 H new ATOM 0 HD23 LEU B 87 -6.224 8.920 -0.632 1.00 0.35 H new ATOM 3009 N ALA B 88 -1.402 7.254 -0.763 1.00 0.25 N ATOM 3010 CA ALA B 88 -0.075 7.377 -0.181 1.00 0.27 C ATOM 3011 C ALA B 88 0.784 8.342 -0.955 1.00 0.29 C ATOM 3012 O ALA B 88 1.555 9.095 -0.382 1.00 0.35 O ATOM 3013 CB ALA B 88 0.626 6.042 -0.164 1.00 0.26 C ATOM 0 H ALA B 88 -1.651 6.301 -1.029 1.00 0.25 H new ATOM 0 HA ALA B 88 -0.213 7.747 0.835 1.00 0.27 H new ATOM 0 HB1 ALA B 88 1.617 6.157 0.275 1.00 0.26 H new ATOM 0 HB2 ALA B 88 0.046 5.334 0.428 1.00 0.26 H new ATOM 0 HB3 ALA B 88 0.722 5.669 -1.184 1.00 0.26 H new ATOM 3019 N MET B 89 0.659 8.287 -2.263 1.00 0.29 N ATOM 3020 CA MET B 89 1.449 9.119 -3.137 1.00 0.32 C ATOM 3021 C MET B 89 1.177 10.587 -2.881 1.00 0.34 C ATOM 3022 O MET B 89 2.100 11.395 -2.834 1.00 0.39 O ATOM 3023 CB MET B 89 1.166 8.772 -4.591 1.00 0.34 C ATOM 3024 CG MET B 89 1.838 7.488 -5.033 1.00 0.42 C ATOM 3025 SD MET B 89 1.734 7.235 -6.816 1.00 1.03 S ATOM 3026 CE MET B 89 -0.037 7.229 -7.080 1.00 1.89 C ATOM 0 H MET B 89 0.010 7.667 -2.747 1.00 0.29 H new ATOM 0 HA MET B 89 2.502 8.930 -2.929 1.00 0.32 H new ATOM 0 HB2 MET B 89 0.089 8.680 -4.734 1.00 0.34 H new ATOM 0 HB3 MET B 89 1.504 9.590 -5.227 1.00 0.34 H new ATOM 0 HG2 MET B 89 2.885 7.507 -4.732 1.00 0.42 H new ATOM 0 HG3 MET B 89 1.375 6.644 -4.522 1.00 0.42 H new ATOM 0 HE1 MET B 89 -0.246 7.153 -8.147 1.00 1.89 H new ATOM 0 HE2 MET B 89 -0.479 6.378 -6.562 1.00 1.89 H new ATOM 0 HE3 MET B 89 -0.466 8.153 -6.692 1.00 1.89 H new ATOM 3036 N ALA B 90 -0.088 10.917 -2.673 1.00 0.34 N ATOM 3037 CA ALA B 90 -0.477 12.291 -2.414 1.00 0.39 C ATOM 3038 C ALA B 90 -0.022 12.711 -1.024 1.00 0.42 C ATOM 3039 O ALA B 90 0.368 13.855 -0.803 1.00 0.49 O ATOM 3040 CB ALA B 90 -1.982 12.444 -2.561 1.00 0.46 C ATOM 0 H ALA B 90 -0.861 10.252 -2.679 1.00 0.34 H new ATOM 0 HA ALA B 90 0.006 12.942 -3.143 1.00 0.39 H new ATOM 0 HB1 ALA B 90 -2.263 13.479 -2.365 1.00 0.46 H new ATOM 0 HB2 ALA B 90 -2.278 12.174 -3.575 1.00 0.46 H new ATOM 0 HB3 ALA B 90 -2.485 11.790 -1.849 1.00 0.46 H new ATOM 3046 N CYS B 91 -0.050 11.763 -0.099 1.00 0.41 N ATOM 3047 CA CYS B 91 0.356 12.014 1.276 1.00 0.47 C ATOM 3048 C CYS B 91 1.875 12.153 1.381 1.00 0.44 C ATOM 3049 O CYS B 91 2.376 12.972 2.141 1.00 0.51 O ATOM 3050 CB CYS B 91 -0.150 10.887 2.181 1.00 0.55 C ATOM 3051 SG CYS B 91 -1.938 10.636 2.092 1.00 1.76 S ATOM 0 H CYS B 91 -0.352 10.805 -0.278 1.00 0.41 H new ATOM 0 HA CYS B 91 -0.086 12.955 1.604 1.00 0.47 H new ATOM 0 HB2 CYS B 91 0.353 9.959 1.908 1.00 0.55 H new ATOM 0 HB3 CYS B 91 0.127 11.108 3.212 1.00 0.55 H new ATOM 0 HG CYS B 91 -2.246 10.114 0.942 1.00 1.76 H new ATOM 3057 N HIS B 92 2.599 11.354 0.603 1.00 0.41 N ATOM 3058 CA HIS B 92 4.055 11.437 0.552 1.00 0.46 C ATOM 3059 C HIS B 92 4.462 12.709 -0.169 1.00 0.45 C ATOM 3060 O HIS B 92 5.429 13.364 0.206 1.00 0.49 O ATOM 3061 CB HIS B 92 4.650 10.214 -0.163 1.00 0.54 C ATOM 3062 CG HIS B 92 6.150 10.240 -0.274 1.00 1.21 C ATOM 3063 ND1 HIS B 92 6.814 10.682 -1.400 1.00 2.12 N ATOM 3064 CD2 HIS B 92 7.113 9.869 0.604 1.00 1.96 C ATOM 3065 CE1 HIS B 92 8.116 10.580 -1.212 1.00 2.74 C ATOM 3066 NE2 HIS B 92 8.325 10.092 -0.004 1.00 2.62 N ATOM 0 H HIS B 92 2.199 10.638 -0.004 1.00 0.41 H new ATOM 0 HA HIS B 92 4.440 11.454 1.571 1.00 0.46 H new ATOM 0 HB2 HIS B 92 4.351 9.312 0.372 1.00 0.54 H new ATOM 0 HB3 HIS B 92 4.223 10.148 -1.164 1.00 0.54 H new ATOM 0 HD2 HIS B 92 6.957 9.472 1.596 1.00 1.96 H new ATOM 0 HE1 HIS B 92 8.881 10.850 -1.925 1.00 2.74 H new ATOM 0 HE2 HIS B 92 9.239 9.910 0.411 1.00 2.62 H new ATOM 3075 N ASP B 93 3.713 13.040 -1.207 1.00 0.45 N ATOM 3076 CA ASP B 93 3.925 14.275 -1.943 1.00 0.52 C ATOM 3077 C ASP B 93 3.728 15.468 -1.017 1.00 0.56 C ATOM 3078 O ASP B 93 4.533 16.397 -0.996 1.00 0.65 O ATOM 3079 CB ASP B 93 2.960 14.338 -3.129 1.00 0.54 C ATOM 3080 CG ASP B 93 3.086 15.621 -3.925 1.00 0.92 C ATOM 3081 OD1 ASP B 93 4.016 15.726 -4.754 1.00 1.74 O ATOM 3082 OD2 ASP B 93 2.242 16.525 -3.737 1.00 1.48 O ATOM 0 H ASP B 93 2.948 12.466 -1.561 1.00 0.45 H new ATOM 0 HA ASP B 93 4.945 14.304 -2.325 1.00 0.52 H new ATOM 0 HB2 ASP B 93 3.145 13.489 -3.787 1.00 0.54 H new ATOM 0 HB3 ASP B 93 1.937 14.242 -2.764 1.00 0.54 H new ATOM 3087 N SER B 94 2.669 15.409 -0.220 1.00 0.54 N ATOM 3088 CA SER B 94 2.406 16.421 0.788 1.00 0.60 C ATOM 3089 C SER B 94 3.522 16.437 1.816 1.00 0.63 C ATOM 3090 O SER B 94 3.977 17.489 2.228 1.00 0.70 O ATOM 3091 CB SER B 94 1.086 16.129 1.489 1.00 0.65 C ATOM 3092 OG SER B 94 0.011 16.083 0.565 1.00 1.26 O ATOM 0 H SER B 94 1.974 14.663 -0.255 1.00 0.54 H new ATOM 0 HA SER B 94 2.351 17.393 0.297 1.00 0.60 H new ATOM 0 HB2 SER B 94 1.155 15.178 2.018 1.00 0.65 H new ATOM 0 HB3 SER B 94 0.892 16.897 2.238 1.00 0.65 H new ATOM 0 HG SER B 94 0.119 15.307 -0.024 1.00 1.26 H new ATOM 3098 N PHE B 95 3.960 15.248 2.199 1.00 0.60 N ATOM 3099 CA PHE B 95 4.987 15.065 3.212 1.00 0.67 C ATOM 3100 C PHE B 95 6.257 15.811 2.827 1.00 0.73 C ATOM 3101 O PHE B 95 6.903 16.433 3.663 1.00 0.84 O ATOM 3102 CB PHE B 95 5.256 13.565 3.363 1.00 0.64 C ATOM 3103 CG PHE B 95 6.245 13.192 4.427 1.00 0.78 C ATOM 3104 CD1 PHE B 95 5.932 13.335 5.769 1.00 1.80 C ATOM 3105 CD2 PHE B 95 7.480 12.674 4.080 1.00 1.29 C ATOM 3106 CE1 PHE B 95 6.840 12.973 6.745 1.00 2.35 C ATOM 3107 CE2 PHE B 95 8.388 12.309 5.051 1.00 1.76 C ATOM 3108 CZ PHE B 95 8.070 12.457 6.384 1.00 2.07 C ATOM 0 H PHE B 95 3.608 14.373 1.811 1.00 0.60 H new ATOM 0 HA PHE B 95 4.647 15.472 4.164 1.00 0.67 H new ATOM 0 HB2 PHE B 95 4.312 13.064 3.577 1.00 0.64 H new ATOM 0 HB3 PHE B 95 5.613 13.179 2.408 1.00 0.64 H new ATOM 0 HD1 PHE B 95 4.970 13.733 6.055 1.00 1.80 H new ATOM 0 HD2 PHE B 95 7.735 12.554 3.037 1.00 1.29 H new ATOM 0 HE1 PHE B 95 6.589 13.093 7.789 1.00 2.35 H new ATOM 0 HE2 PHE B 95 9.349 11.907 4.767 1.00 1.76 H new ATOM 0 HZ PHE B 95 8.781 12.170 7.145 1.00 2.07 H new